USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 348 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= -0.852 X(o=-0.85,f=-0.57) USER MOD Single : A 1 GLN N :NH3+ -137:sc= -0.0444 (180deg=-0.586) 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= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 23 TYR OH : rot -81:sc= 0.27 USER MOD Single : A 26 CYS SG : rot 66:sc= -3.08 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0956) USER MOD Single : A 29 ASN : amide:sc=-0.00598 X(o=-0.006,f=0.1) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.31) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 32.325 -6.011 -11.673 1.00 0.00 N ATOM 2 CA GLN A 1 31.022 -5.471 -11.316 1.00 0.00 C ATOM 3 C GLN A 1 30.979 -5.139 -9.811 1.00 0.00 C ATOM 4 O GLN A 1 30.232 -5.738 -9.044 1.00 0.00 O ATOM 5 CB GLN A 1 29.874 -6.442 -11.671 1.00 0.00 C ATOM 6 CG GLN A 1 29.552 -6.542 -13.177 1.00 0.00 C ATOM 7 CD GLN A 1 30.592 -7.317 -14.006 1.00 0.00 C ATOM 8 OE1 GLN A 1 31.053 -6.855 -15.043 1.00 0.00 O ATOM 9 NE2 GLN A 1 30.898 -8.537 -13.513 1.00 0.00 N ATOM 0 H1 GLN A 1 32.642 -5.589 -12.569 1.00 0.00 H new ATOM 0 H2 GLN A 1 33.011 -5.788 -10.923 1.00 0.00 H new ATOM 0 H3 GLN A 1 32.255 -7.043 -11.782 1.00 0.00 H new ATOM 0 HA GLN A 1 30.877 -4.561 -11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 1 30.130 -7.435 -11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 1 28.974 -6.128 -11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 1 28.581 -7.023 -13.296 1.00 0.00 H new ATOM 0 HG3 GLN A 1 29.461 -5.535 -13.583 1.00 0.00 H new ATOM 0 HE21 GLN A 1 30.474 -8.856 -12.642 1.00 0.00 H new ATOM 0 HE22 GLN A 1 31.553 -9.139 -14.012 1.00 0.00 H new ATOM 20 N GLU A 2 31.821 -4.147 -9.445 1.00 0.00 N ATOM 21 CA GLU A 2 31.910 -3.688 -8.060 1.00 0.00 C ATOM 22 C GLU A 2 31.513 -2.225 -7.912 1.00 0.00 C ATOM 23 O GLU A 2 31.218 -1.816 -6.799 1.00 0.00 O ATOM 24 CB GLU A 2 33.321 -3.937 -7.492 1.00 0.00 C ATOM 25 CG GLU A 2 33.394 -5.254 -6.704 1.00 0.00 C ATOM 26 CD GLU A 2 33.195 -6.481 -7.609 1.00 0.00 C ATOM 27 OE1 GLU A 2 34.031 -6.704 -8.483 1.00 0.00 O ATOM 28 OE2 GLU A 2 32.213 -7.206 -7.434 1.00 0.00 O ATOM 0 H GLU A 2 32.440 -3.658 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 2 31.195 -4.272 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 2 34.043 -3.961 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 2 33.603 -3.108 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 2 34.361 -5.325 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.633 -5.252 -5.924 1.00 0.00 H new ATOM 35 N LYS A 3 31.506 -1.485 -9.051 1.00 0.00 N ATOM 36 CA LYS A 3 31.177 -0.051 -9.139 1.00 0.00 C ATOM 37 C LYS A 3 29.983 0.395 -8.275 1.00 0.00 C ATOM 38 O LYS A 3 29.915 1.534 -7.832 1.00 0.00 O ATOM 39 CB LYS A 3 30.996 0.340 -10.606 1.00 0.00 C ATOM 40 CG LYS A 3 29.898 -0.453 -11.330 1.00 0.00 C ATOM 41 CD LYS A 3 29.992 -0.326 -12.854 1.00 0.00 C ATOM 42 CE LYS A 3 29.937 1.125 -13.342 1.00 0.00 C ATOM 43 NZ LYS A 3 28.680 1.787 -13.015 1.00 0.00 N ATOM 0 H LYS A 3 31.738 -1.889 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 3 32.023 0.488 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 3 30.760 1.403 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.941 0.195 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 3 29.969 -1.504 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 3 28.921 -0.101 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 3 30.922 -0.782 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.177 -0.887 -13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 3 30.762 1.683 -12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 3 30.082 1.145 -14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 28.700 2.765 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 27.892 1.274 -13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 28.550 1.795 -11.983 1.00 0.00 H new ATOM 57 N GLU A 4 29.080 -0.575 -8.050 1.00 0.00 N ATOM 58 CA GLU A 4 27.912 -0.368 -7.205 1.00 0.00 C ATOM 59 C GLU A 4 28.322 0.050 -5.780 1.00 0.00 C ATOM 60 O GLU A 4 27.930 1.092 -5.269 1.00 0.00 O ATOM 61 CB GLU A 4 27.139 -1.694 -7.165 1.00 0.00 C ATOM 62 CG GLU A 4 25.643 -1.434 -6.998 1.00 0.00 C ATOM 63 CD GLU A 4 24.835 -2.708 -6.698 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.312 -3.810 -6.973 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.723 -2.581 -6.184 1.00 0.00 O ATOM 0 H GLU A 4 29.146 -1.512 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 4 27.295 0.434 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.317 -2.254 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.502 -2.309 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.493 -0.718 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.257 -0.973 -7.907 1.00 0.00 H new ATOM 72 N ALA A 5 29.154 -0.836 -5.195 1.00 0.00 N ATOM 73 CA ALA A 5 29.683 -0.569 -3.872 1.00 0.00 C ATOM 74 C ALA A 5 30.750 0.518 -3.911 1.00 0.00 C ATOM 75 O ALA A 5 31.049 1.079 -2.874 1.00 0.00 O ATOM 76 CB ALA A 5 30.293 -1.827 -3.263 1.00 0.00 C ATOM 0 H ALA A 5 29.458 -1.714 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 5 28.847 -0.233 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.682 -1.599 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.529 -2.600 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.104 -2.182 -3.898 1.00 0.00 H new ATOM 82 N ILE A 6 31.319 0.802 -5.102 1.00 0.00 N ATOM 83 CA ILE A 6 32.424 1.762 -5.131 1.00 0.00 C ATOM 84 C ILE A 6 31.952 3.152 -4.729 1.00 0.00 C ATOM 85 O ILE A 6 32.570 3.781 -3.893 1.00 0.00 O ATOM 86 CB ILE A 6 33.187 1.786 -6.455 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.704 0.382 -6.779 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.366 2.776 -6.436 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.548 0.317 -8.053 1.00 0.00 C ATOM 0 H ILE A 6 31.048 0.404 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 6 33.144 1.414 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 6 32.490 2.120 -7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.299 0.021 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.855 -0.294 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.875 2.755 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 6 33.993 3.782 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.066 2.493 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.879 -0.708 -8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.950 0.647 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.417 0.966 -7.947 1.00 0.00 H new ATOM 101 N GLU A 7 30.828 3.571 -5.344 1.00 0.00 N ATOM 102 CA GLU A 7 30.284 4.886 -5.017 1.00 0.00 C ATOM 103 C GLU A 7 29.727 4.943 -3.582 1.00 0.00 C ATOM 104 O GLU A 7 29.522 6.013 -3.028 1.00 0.00 O ATOM 105 CB GLU A 7 29.198 5.281 -6.025 1.00 0.00 C ATOM 106 CG GLU A 7 27.922 4.413 -5.984 1.00 0.00 C ATOM 107 CD GLU A 7 26.727 5.197 -6.557 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.544 5.206 -7.775 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.989 5.798 -5.774 1.00 0.00 O ATOM 0 H GLU A 7 30.305 3.039 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 7 31.105 5.600 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.919 6.319 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.620 5.232 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.076 3.500 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.711 4.112 -4.958 1.00 0.00 H new ATOM 116 N ARG A 8 29.492 3.729 -3.040 1.00 0.00 N ATOM 117 CA ARG A 8 28.886 3.567 -1.731 1.00 0.00 C ATOM 118 C ARG A 8 29.935 3.759 -0.634 1.00 0.00 C ATOM 119 O ARG A 8 29.764 4.575 0.257 1.00 0.00 O ATOM 120 CB ARG A 8 28.252 2.166 -1.692 1.00 0.00 C ATOM 121 CG ARG A 8 26.841 2.150 -1.095 1.00 0.00 C ATOM 122 CD ARG A 8 25.966 1.069 -1.744 1.00 0.00 C ATOM 123 NE ARG A 8 24.984 0.525 -0.815 1.00 0.00 N ATOM 124 CZ ARG A 8 23.971 1.244 -0.276 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.803 2.530 -0.571 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.141 0.644 0.566 1.00 0.00 N ATOM 0 H ARG A 8 29.720 2.850 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 8 28.116 4.318 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.214 1.765 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.892 1.502 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.902 1.974 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.376 3.126 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.452 1.490 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.601 0.263 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 8 25.065 -0.458 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.444 2.994 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 8 23.033 3.053 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.272 -0.341 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.371 1.167 0.983 1.00 0.00 H new ATOM 140 N LEU A 9 31.022 2.975 -0.804 1.00 0.00 N ATOM 141 CA LEU A 9 32.245 2.975 -0.017 1.00 0.00 C ATOM 142 C LEU A 9 32.832 4.413 -0.026 1.00 0.00 C ATOM 143 O LEU A 9 33.166 4.973 1.001 1.00 0.00 O ATOM 144 CB LEU A 9 33.204 1.924 -0.598 1.00 0.00 C ATOM 145 CG LEU A 9 32.647 0.482 -0.602 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.269 -0.305 -1.758 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.853 -0.272 0.702 1.00 0.00 C ATOM 0 H LEU A 9 31.056 2.281 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 9 32.064 2.703 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.456 2.206 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.131 1.940 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 9 31.568 0.574 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.875 -1.321 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.023 0.181 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.352 -0.335 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.433 -1.274 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.919 -0.343 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.354 0.260 1.512 1.00 0.00 H new ATOM 159 N LYS A 10 32.864 4.998 -1.241 1.00 0.00 N ATOM 160 CA LYS A 10 33.299 6.392 -1.409 1.00 0.00 C ATOM 161 C LYS A 10 32.362 7.400 -0.706 1.00 0.00 C ATOM 162 O LYS A 10 32.809 8.420 -0.196 1.00 0.00 O ATOM 163 CB LYS A 10 33.331 6.737 -2.917 1.00 0.00 C ATOM 164 CG LYS A 10 34.743 6.956 -3.471 1.00 0.00 C ATOM 165 CD LYS A 10 35.078 8.426 -3.748 1.00 0.00 C ATOM 166 CE LYS A 10 34.052 9.160 -4.614 1.00 0.00 C ATOM 167 NZ LYS A 10 34.623 10.344 -5.235 1.00 0.00 N ATOM 0 H LYS A 10 32.597 4.531 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 10 34.287 6.474 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.853 5.932 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 10 32.740 7.637 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.468 6.555 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.853 6.388 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.172 8.949 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 10 36.051 8.478 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 33.680 8.487 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.197 9.446 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.899 10.816 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.956 10.997 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 35.423 10.068 -5.839 1.00 0.00 H new ATOM 181 N ALA A 11 31.050 7.071 -0.732 1.00 0.00 N ATOM 182 CA ALA A 11 30.036 7.964 -0.163 1.00 0.00 C ATOM 183 C ALA A 11 30.142 8.087 1.371 1.00 0.00 C ATOM 184 O ALA A 11 29.633 9.037 1.951 1.00 0.00 O ATOM 185 CB ALA A 11 28.630 7.498 -0.554 1.00 0.00 C ATOM 0 H ALA A 11 30.682 6.209 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 11 30.223 8.954 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.890 8.172 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.535 7.501 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.463 6.489 -0.178 1.00 0.00 H new ATOM 191 N LEU A 12 30.844 7.106 1.987 1.00 0.00 N ATOM 192 CA LEU A 12 31.102 7.166 3.424 1.00 0.00 C ATOM 193 C LEU A 12 32.247 8.166 3.766 1.00 0.00 C ATOM 194 O LEU A 12 32.630 8.278 4.923 1.00 0.00 O ATOM 195 CB LEU A 12 31.479 5.764 3.931 1.00 0.00 C ATOM 196 CG LEU A 12 30.364 4.692 3.958 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.541 3.696 2.817 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.381 3.896 5.265 1.00 0.00 C ATOM 0 H LEU A 12 31.229 6.287 1.515 1.00 0.00 H new ATOM 0 HA LEU A 12 30.194 7.517 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.292 5.389 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.872 5.866 4.942 1.00 0.00 H new ATOM 0 HG LEU A 12 29.419 5.227 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.745 2.952 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.498 4.223 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.507 3.200 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.584 3.152 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.343 3.395 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.228 4.573 6.105 1.00 0.00 H new ATOM 210 N GLY A 13 32.755 8.877 2.725 1.00 0.00 N ATOM 211 CA GLY A 13 33.780 9.911 2.903 1.00 0.00 C ATOM 212 C GLY A 13 35.194 9.420 2.555 1.00 0.00 C ATOM 213 O GLY A 13 36.180 9.946 3.065 1.00 0.00 O ATOM 0 H GLY A 13 32.463 8.744 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.535 10.769 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.765 10.256 3.937 1.00 0.00 H new ATOM 217 N PHE A 14 35.228 8.376 1.688 1.00 0.00 N ATOM 218 CA PHE A 14 36.475 7.684 1.357 1.00 0.00 C ATOM 219 C PHE A 14 36.901 8.062 -0.076 1.00 0.00 C ATOM 220 O PHE A 14 36.696 9.191 -0.506 1.00 0.00 O ATOM 221 CB PHE A 14 36.267 6.163 1.557 1.00 0.00 C ATOM 222 CG PHE A 14 35.707 5.800 2.913 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.866 6.628 4.024 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.972 4.627 3.055 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.214 6.345 5.210 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.316 4.344 4.241 1.00 0.00 C ATOM 227 CZ PHE A 14 34.419 5.229 5.310 1.00 0.00 C ATOM 0 H PHE A 14 34.404 8.005 1.214 1.00 0.00 H new ATOM 0 HA PHE A 14 37.289 7.988 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.593 5.793 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.221 5.654 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.504 7.497 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.913 3.930 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.330 7.002 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.728 3.443 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.872 5.038 6.221 1.00 0.00 H new ATOM 237 N GLU A 15 37.505 7.077 -0.784 1.00 0.00 N ATOM 238 CA GLU A 15 37.993 7.301 -2.140 1.00 0.00 C ATOM 239 C GLU A 15 38.083 5.961 -2.866 1.00 0.00 C ATOM 240 O GLU A 15 38.518 4.974 -2.296 1.00 0.00 O ATOM 241 CB GLU A 15 39.364 7.996 -2.126 1.00 0.00 C ATOM 242 CG GLU A 15 39.659 8.777 -3.417 1.00 0.00 C ATOM 243 CD GLU A 15 40.129 10.215 -3.131 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.327 10.424 -2.929 1.00 0.00 O ATOM 245 OE2 GLU A 15 39.289 11.116 -3.119 1.00 0.00 O ATOM 0 H GLU A 15 37.659 6.133 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 15 37.296 7.956 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.410 8.679 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.142 7.248 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.424 8.253 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.762 8.806 -4.035 1.00 0.00 H new ATOM 252 N GLU A 16 37.652 6.010 -4.146 1.00 0.00 N ATOM 253 CA GLU A 16 37.528 4.870 -5.055 1.00 0.00 C ATOM 254 C GLU A 16 38.761 3.917 -5.045 1.00 0.00 C ATOM 255 O GLU A 16 38.642 2.742 -5.367 1.00 0.00 O ATOM 256 CB GLU A 16 37.240 5.412 -6.461 1.00 0.00 C ATOM 257 CG GLU A 16 37.354 4.370 -7.593 1.00 0.00 C ATOM 258 CD GLU A 16 37.129 4.970 -8.989 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.485 6.015 -9.101 1.00 0.00 O ATOM 260 OE2 GLU A 16 37.611 4.386 -9.960 1.00 0.00 O ATOM 0 H GLU A 16 37.371 6.887 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 16 36.704 4.246 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.235 5.833 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.930 6.230 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.341 3.910 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.626 3.577 -7.423 1.00 0.00 H new ATOM 267 N SER A 17 39.925 4.469 -4.654 1.00 0.00 N ATOM 268 CA SER A 17 41.141 3.677 -4.563 1.00 0.00 C ATOM 269 C SER A 17 41.187 2.859 -3.261 1.00 0.00 C ATOM 270 O SER A 17 41.386 1.654 -3.308 1.00 0.00 O ATOM 271 CB SER A 17 42.339 4.632 -4.629 1.00 0.00 C ATOM 272 OG SER A 17 42.876 4.750 -5.931 1.00 0.00 O ATOM 0 H SER A 17 40.037 5.451 -4.401 1.00 0.00 H new ATOM 0 HA SER A 17 41.169 2.967 -5.390 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.032 5.617 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.116 4.279 -3.951 1.00 0.00 H new ATOM 0 HG SER A 17 43.634 5.370 -5.917 1.00 0.00 H new ATOM 278 N LEU A 18 40.999 3.558 -2.111 1.00 0.00 N ATOM 279 CA LEU A 18 40.983 2.832 -0.830 1.00 0.00 C ATOM 280 C LEU A 18 39.782 1.890 -0.757 1.00 0.00 C ATOM 281 O LEU A 18 39.804 0.907 -0.013 1.00 0.00 O ATOM 282 CB LEU A 18 41.100 3.773 0.389 1.00 0.00 C ATOM 283 CG LEU A 18 39.828 4.459 0.942 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.581 4.128 2.422 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.923 5.977 0.799 1.00 0.00 C ATOM 0 H LEU A 18 40.864 4.567 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 18 41.877 2.211 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.543 3.200 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.809 4.559 0.129 1.00 0.00 H new ATOM 0 HG LEU A 18 38.996 4.074 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.677 4.633 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.460 3.051 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.430 4.464 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.017 6.437 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.787 6.341 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.032 6.237 -0.254 1.00 0.00 H new ATOM 297 N VAL A 19 38.780 2.232 -1.573 1.00 0.00 N ATOM 298 CA VAL A 19 37.509 1.551 -1.753 1.00 0.00 C ATOM 299 C VAL A 19 37.696 0.213 -2.466 1.00 0.00 C ATOM 300 O VAL A 19 37.317 -0.825 -1.955 1.00 0.00 O ATOM 301 CB VAL A 19 36.631 2.501 -2.567 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.556 1.805 -3.392 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.048 3.650 -1.728 1.00 0.00 C ATOM 0 H VAL A 19 38.849 3.058 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 19 37.046 1.316 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 19 37.317 2.946 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 19 34.978 2.550 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.026 1.120 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.894 1.246 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.434 4.289 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.435 3.240 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.861 4.237 -1.300 1.00 0.00 H new ATOM 313 N ILE A 20 38.278 0.323 -3.680 1.00 0.00 N ATOM 314 CA ILE A 20 38.522 -0.851 -4.506 1.00 0.00 C ATOM 315 C ILE A 20 39.373 -1.859 -3.756 1.00 0.00 C ATOM 316 O ILE A 20 39.029 -3.024 -3.705 1.00 0.00 O ATOM 317 CB ILE A 20 39.159 -0.449 -5.850 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.079 -0.013 -6.847 1.00 0.00 C ATOM 319 CG2 ILE A 20 40.056 -1.541 -6.472 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.187 -1.172 -7.311 1.00 0.00 C ATOM 0 H ILE A 20 38.579 1.205 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 20 37.568 -1.328 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 20 39.818 0.390 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.457 0.755 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.556 0.441 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.466 -1.181 -7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.871 -1.776 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.464 -2.438 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.443 -0.799 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.800 -1.930 -7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.684 -1.611 -6.450 1.00 0.00 H new ATOM 332 N GLN A 21 40.473 -1.343 -3.182 1.00 0.00 N ATOM 333 CA GLN A 21 41.386 -2.205 -2.447 1.00 0.00 C ATOM 334 C GLN A 21 40.778 -2.704 -1.121 1.00 0.00 C ATOM 335 O GLN A 21 41.165 -3.748 -0.621 1.00 0.00 O ATOM 336 CB GLN A 21 42.697 -1.451 -2.224 1.00 0.00 C ATOM 337 CG GLN A 21 43.867 -2.387 -1.857 1.00 0.00 C ATOM 338 CD GLN A 21 45.170 -1.818 -2.440 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.982 -1.215 -1.755 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.222 -1.951 -3.782 1.00 0.00 N ATOM 0 H GLN A 21 40.739 -0.359 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 21 41.579 -3.101 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.951 -0.896 -3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.559 -0.719 -1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.949 -2.479 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.685 -3.388 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 21 44.496 -2.475 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 21 45.987 -1.528 -4.307 1.00 0.00 H new ATOM 349 N ALA A 22 39.801 -1.923 -0.606 1.00 0.00 N ATOM 350 CA ALA A 22 39.051 -2.326 0.583 1.00 0.00 C ATOM 351 C ALA A 22 37.898 -3.280 0.266 1.00 0.00 C ATOM 352 O ALA A 22 37.303 -3.826 1.181 1.00 0.00 O ATOM 353 CB ALA A 22 38.391 -1.119 1.248 1.00 0.00 C ATOM 0 H ALA A 22 39.523 -1.023 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 22 39.788 -2.810 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.840 -1.446 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.157 -0.403 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.705 -0.646 0.545 1.00 0.00 H new ATOM 359 N TYR A 23 37.602 -3.424 -1.043 1.00 0.00 N ATOM 360 CA TYR A 23 36.517 -4.298 -1.487 1.00 0.00 C ATOM 361 C TYR A 23 37.089 -5.546 -2.163 1.00 0.00 C ATOM 362 O TYR A 23 36.417 -6.557 -2.257 1.00 0.00 O ATOM 363 CB TYR A 23 35.592 -3.538 -2.458 1.00 0.00 C ATOM 364 CG TYR A 23 34.139 -3.872 -2.250 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.481 -3.345 -1.157 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.435 -4.680 -3.133 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.132 -3.599 -0.937 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.087 -4.944 -2.929 1.00 0.00 C ATOM 369 CZ TYR A 23 31.433 -4.392 -1.833 1.00 0.00 C ATOM 370 OH TYR A 23 30.089 -4.628 -1.630 1.00 0.00 O ATOM 0 H TYR A 23 38.098 -2.948 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 23 35.935 -4.609 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.737 -2.465 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.873 -3.776 -3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.024 -2.724 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.941 -5.107 -3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.633 -3.182 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.548 -5.576 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 23 29.979 -5.340 -0.966 1.00 0.00 H new ATOM 380 N PHE A 24 38.348 -5.424 -2.624 1.00 0.00 N ATOM 381 CA PHE A 24 39.026 -6.509 -3.328 1.00 0.00 C ATOM 382 C PHE A 24 39.812 -7.353 -2.309 1.00 0.00 C ATOM 383 O PHE A 24 39.809 -8.577 -2.364 1.00 0.00 O ATOM 384 CB PHE A 24 39.985 -5.932 -4.395 1.00 0.00 C ATOM 385 CG PHE A 24 39.489 -6.119 -5.809 1.00 0.00 C ATOM 386 CD1 PHE A 24 38.435 -5.369 -6.319 1.00 0.00 C ATOM 387 CD2 PHE A 24 40.088 -7.074 -6.621 1.00 0.00 C ATOM 388 CE1 PHE A 24 37.982 -5.577 -7.618 1.00 0.00 C ATOM 389 CE2 PHE A 24 39.642 -7.286 -7.917 1.00 0.00 C ATOM 390 CZ PHE A 24 38.586 -6.539 -8.416 1.00 0.00 C ATOM 0 H PHE A 24 38.910 -4.580 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 24 38.289 -7.136 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.130 -4.868 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.960 -6.409 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.964 -4.619 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 24 40.911 -7.659 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 24 37.162 -4.991 -8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 24 40.117 -8.032 -8.537 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.234 -6.705 -9.423 1.00 0.00 H new ATOM 400 N ALA A 25 40.477 -6.621 -1.383 1.00 0.00 N ATOM 401 CA ALA A 25 41.246 -7.265 -0.319 1.00 0.00 C ATOM 402 C ALA A 25 40.320 -7.923 0.717 1.00 0.00 C ATOM 403 O ALA A 25 40.691 -8.885 1.377 1.00 0.00 O ATOM 404 CB ALA A 25 42.148 -6.240 0.374 1.00 0.00 C ATOM 0 H ALA A 25 40.490 -5.601 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 25 41.860 -8.042 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.716 -6.731 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.836 -5.810 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.535 -5.449 0.805 1.00 0.00 H new ATOM 410 N CYS A 26 39.094 -7.360 0.795 1.00 0.00 N ATOM 411 CA CYS A 26 38.061 -7.926 1.660 1.00 0.00 C ATOM 412 C CYS A 26 37.345 -9.132 1.025 1.00 0.00 C ATOM 413 O CYS A 26 36.431 -9.679 1.629 1.00 0.00 O ATOM 414 CB CYS A 26 37.020 -6.844 1.957 1.00 0.00 C ATOM 415 SG CYS A 26 37.387 -6.061 3.546 1.00 0.00 S ATOM 0 H CYS A 26 38.808 -6.530 0.276 1.00 0.00 H new ATOM 0 HA CYS A 26 38.552 -8.275 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.022 -6.097 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.022 -7.282 1.979 1.00 0.00 H new ATOM 0 HG CYS A 26 38.511 -5.414 3.462 1.00 0.00 H new ATOM 421 N GLU A 27 37.770 -9.497 -0.211 1.00 0.00 N ATOM 422 CA GLU A 27 37.084 -10.532 -0.986 1.00 0.00 C ATOM 423 C GLU A 27 35.603 -10.169 -1.198 1.00 0.00 C ATOM 424 O GLU A 27 34.698 -10.816 -0.687 1.00 0.00 O ATOM 425 CB GLU A 27 37.303 -11.921 -0.350 1.00 0.00 C ATOM 426 CG GLU A 27 36.422 -13.073 -0.879 1.00 0.00 C ATOM 427 CD GLU A 27 36.202 -13.035 -2.414 1.00 0.00 C ATOM 428 OE1 GLU A 27 37.188 -12.983 -3.150 1.00 0.00 O ATOM 429 OE2 GLU A 27 35.051 -13.047 -2.860 1.00 0.00 O ATOM 0 H GLU A 27 38.578 -9.087 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 27 37.520 -10.585 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.347 -12.199 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.139 -11.833 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.882 -14.024 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 27 35.453 -13.036 -0.381 1.00 0.00 H new ATOM 436 N LYS A 28 35.454 -9.093 -1.998 1.00 0.00 N ATOM 437 CA LYS A 28 34.185 -8.564 -2.503 1.00 0.00 C ATOM 438 C LYS A 28 32.991 -8.841 -1.566 1.00 0.00 C ATOM 439 O LYS A 28 32.017 -9.490 -1.926 1.00 0.00 O ATOM 440 CB LYS A 28 33.980 -9.091 -3.937 1.00 0.00 C ATOM 441 CG LYS A 28 34.433 -8.089 -5.003 1.00 0.00 C ATOM 442 CD LYS A 28 35.947 -7.863 -5.054 1.00 0.00 C ATOM 443 CE LYS A 28 36.589 -8.331 -6.360 1.00 0.00 C ATOM 444 NZ LYS A 28 36.353 -9.727 -6.667 1.00 0.00 N ATOM 0 H LYS A 28 36.255 -8.550 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 28 34.235 -7.475 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.533 -10.022 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 32.926 -9.324 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.097 -8.438 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.941 -7.134 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 28 36.153 -6.801 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.413 -8.388 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 28 36.208 -7.720 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.664 -8.158 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 37.012 -10.035 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.503 -10.301 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.375 -9.849 -6.999 1.00 0.00 H new ATOM 458 N ASN A 29 33.168 -8.321 -0.333 1.00 0.00 N ATOM 459 CA ASN A 29 32.207 -8.556 0.737 1.00 0.00 C ATOM 460 C ASN A 29 31.453 -7.241 0.961 1.00 0.00 C ATOM 461 O ASN A 29 31.469 -6.384 0.096 1.00 0.00 O ATOM 462 CB ASN A 29 32.978 -9.048 1.980 1.00 0.00 C ATOM 463 CG ASN A 29 32.482 -10.426 2.417 1.00 0.00 C ATOM 464 OD1 ASN A 29 32.669 -11.422 1.733 1.00 0.00 O ATOM 465 ND2 ASN A 29 31.824 -10.412 3.596 1.00 0.00 N ATOM 0 H ASN A 29 33.964 -7.742 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 29 31.474 -9.326 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.044 -9.094 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.853 -8.336 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 29 31.440 -11.277 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 29 31.711 -9.536 4.106 1.00 0.00 H new ATOM 472 N GLU A 30 30.793 -7.126 2.133 1.00 0.00 N ATOM 473 CA GLU A 30 29.930 -5.976 2.391 1.00 0.00 C ATOM 474 C GLU A 30 30.289 -5.368 3.744 1.00 0.00 C ATOM 475 O GLU A 30 30.925 -4.324 3.818 1.00 0.00 O ATOM 476 CB GLU A 30 28.464 -6.432 2.339 1.00 0.00 C ATOM 477 CG GLU A 30 28.000 -6.797 0.917 1.00 0.00 C ATOM 478 CD GLU A 30 26.643 -7.527 0.935 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.546 -8.579 1.570 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.696 -7.046 0.310 1.00 0.00 O ATOM 0 H GLU A 30 30.845 -7.804 2.894 1.00 0.00 H new ATOM 0 HA GLU A 30 30.074 -5.207 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.334 -7.296 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 30 27.828 -5.638 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 30 27.919 -5.891 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.748 -7.430 0.440 1.00 0.00 H new ATOM 487 N ASN A 31 29.858 -6.082 4.798 1.00 0.00 N ATOM 488 CA ASN A 31 30.159 -5.673 6.166 1.00 0.00 C ATOM 489 C ASN A 31 31.674 -5.688 6.438 1.00 0.00 C ATOM 490 O ASN A 31 32.137 -5.032 7.359 1.00 0.00 O ATOM 491 CB ASN A 31 29.446 -6.645 7.134 1.00 0.00 C ATOM 492 CG ASN A 31 28.463 -5.910 8.048 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.679 -5.756 9.240 1.00 0.00 O ATOM 494 ND2 ASN A 31 27.365 -5.472 7.396 1.00 0.00 N ATOM 0 H ASN A 31 29.306 -6.936 4.723 1.00 0.00 H new ATOM 0 HA ASN A 31 29.807 -4.652 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 31 28.913 -7.404 6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.188 -7.165 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 31 26.637 -4.969 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 31 27.263 -5.644 6.396 1.00 0.00 H new ATOM 501 N LEU A 32 32.397 -6.470 5.601 1.00 0.00 N ATOM 502 CA LEU A 32 33.841 -6.630 5.780 1.00 0.00 C ATOM 503 C LEU A 32 34.583 -5.458 5.139 1.00 0.00 C ATOM 504 O LEU A 32 35.540 -4.927 5.688 1.00 0.00 O ATOM 505 CB LEU A 32 34.289 -7.944 5.112 1.00 0.00 C ATOM 506 CG LEU A 32 35.584 -8.573 5.655 1.00 0.00 C ATOM 507 CD1 LEU A 32 35.689 -8.476 7.181 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.664 -10.034 5.201 1.00 0.00 C ATOM 0 H LEU A 32 32.005 -6.986 4.814 1.00 0.00 H new ATOM 0 HA LEU A 32 34.070 -6.656 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.485 -8.672 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.418 -7.760 4.045 1.00 0.00 H new ATOM 0 HG LEU A 32 36.426 -8.011 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 36.621 -8.935 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 35.674 -7.428 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 34.847 -8.996 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.580 -10.484 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.803 -10.582 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.666 -10.077 4.112 1.00 0.00 H new ATOM 520 N ALA A 33 34.059 -5.102 3.948 1.00 0.00 N ATOM 521 CA ALA A 33 34.570 -3.975 3.186 1.00 0.00 C ATOM 522 C ALA A 33 34.437 -2.664 3.956 1.00 0.00 C ATOM 523 O ALA A 33 35.394 -1.914 4.074 1.00 0.00 O ATOM 524 CB ALA A 33 33.811 -3.876 1.876 1.00 0.00 C ATOM 0 H ALA A 33 33.280 -5.589 3.504 1.00 0.00 H new ATOM 0 HA ALA A 33 35.631 -4.143 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.189 -3.032 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.947 -4.795 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.750 -3.729 2.080 1.00 0.00 H new ATOM 530 N ALA A 34 33.215 -2.447 4.484 1.00 0.00 N ATOM 531 CA ALA A 34 32.983 -1.281 5.330 1.00 0.00 C ATOM 532 C ALA A 34 33.955 -1.294 6.517 1.00 0.00 C ATOM 533 O ALA A 34 34.631 -0.320 6.785 1.00 0.00 O ATOM 534 CB ALA A 34 31.532 -1.250 5.814 1.00 0.00 C ATOM 0 H ALA A 34 32.404 -3.048 4.341 1.00 0.00 H new ATOM 0 HA ALA A 34 33.162 -0.379 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.377 -0.374 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.863 -1.202 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.321 -2.152 6.389 1.00 0.00 H new ATOM 540 N ASN A 35 34.041 -2.463 7.178 1.00 0.00 N ATOM 541 CA ASN A 35 34.954 -2.550 8.318 1.00 0.00 C ATOM 542 C ASN A 35 36.412 -2.178 7.958 1.00 0.00 C ATOM 543 O ASN A 35 37.107 -1.588 8.767 1.00 0.00 O ATOM 544 CB ASN A 35 34.937 -3.974 8.895 1.00 0.00 C ATOM 545 CG ASN A 35 34.978 -3.945 10.427 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.491 -3.026 11.053 1.00 0.00 O ATOM 547 ND2 ASN A 35 34.367 -5.010 10.982 1.00 0.00 N ATOM 0 H ASN A 35 33.520 -3.312 6.956 1.00 0.00 H new ATOM 0 HA ASN A 35 34.599 -1.827 9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.040 -4.495 8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.791 -4.535 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 35 34.307 -5.092 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 35 33.964 -5.734 10.387 1.00 0.00 H new ATOM 554 N PHE A 36 36.818 -2.532 6.715 1.00 0.00 N ATOM 555 CA PHE A 36 38.163 -2.195 6.226 1.00 0.00 C ATOM 556 C PHE A 36 38.374 -0.659 6.217 1.00 0.00 C ATOM 557 O PHE A 36 39.340 -0.151 6.774 1.00 0.00 O ATOM 558 CB PHE A 36 38.356 -2.806 4.819 1.00 0.00 C ATOM 559 CG PHE A 36 39.729 -2.602 4.209 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.170 -1.338 3.822 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.565 -3.692 3.970 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.399 -1.155 3.208 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.799 -3.516 3.355 1.00 0.00 C ATOM 564 CZ PHE A 36 42.217 -2.249 2.969 1.00 0.00 C ATOM 0 H PHE A 36 36.239 -3.042 6.048 1.00 0.00 H new ATOM 0 HA PHE A 36 38.913 -2.615 6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.156 -3.876 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.611 -2.377 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.539 -0.481 4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.251 -4.682 4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.718 -0.165 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.436 -4.369 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.174 -2.117 2.485 1.00 0.00 H new ATOM 574 N LEU A 37 37.434 0.033 5.532 1.00 0.00 N ATOM 575 CA LEU A 37 37.600 1.460 5.271 1.00 0.00 C ATOM 576 C LEU A 37 37.410 2.315 6.541 1.00 0.00 C ATOM 577 O LEU A 37 37.985 3.391 6.671 1.00 0.00 O ATOM 578 CB LEU A 37 36.602 1.930 4.211 1.00 0.00 C ATOM 579 CG LEU A 37 36.733 1.252 2.835 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.470 0.466 2.488 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.052 2.244 1.702 1.00 0.00 C ATOM 0 H LEU A 37 36.575 -0.373 5.162 1.00 0.00 H new ATOM 0 HA LEU A 37 38.622 1.593 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.593 1.761 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.717 3.006 4.080 1.00 0.00 H new ATOM 0 HG LEU A 37 37.578 0.568 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.590 -0.003 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.302 -0.304 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.616 1.142 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.132 1.705 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.255 2.984 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.996 2.747 1.914 1.00 0.00 H new ATOM 593 N LEU A 38 36.567 1.775 7.451 1.00 0.00 N ATOM 594 CA LEU A 38 36.214 2.501 8.668 1.00 0.00 C ATOM 595 C LEU A 38 37.310 2.307 9.742 1.00 0.00 C ATOM 596 O LEU A 38 37.513 3.147 10.613 1.00 0.00 O ATOM 597 CB LEU A 38 34.829 2.086 9.224 1.00 0.00 C ATOM 598 CG LEU A 38 33.618 2.016 8.251 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.386 2.746 8.791 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.906 2.530 6.842 1.00 0.00 C ATOM 0 H LEU A 38 36.132 0.857 7.359 1.00 0.00 H new ATOM 0 HA LEU A 38 36.147 3.557 8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.939 1.104 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.571 2.784 10.021 1.00 0.00 H new ATOM 0 HG LEU A 38 33.416 0.947 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.571 2.665 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.082 2.296 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.627 3.797 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.007 2.444 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.212 3.575 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.705 1.939 6.395 1.00 0.00 H new ATOM 612 N SER A 39 37.998 1.149 9.598 1.00 0.00 N ATOM 613 CA SER A 39 39.092 0.756 10.482 1.00 0.00 C ATOM 614 C SER A 39 40.389 1.504 10.151 1.00 0.00 C ATOM 615 O SER A 39 41.297 1.528 10.971 1.00 0.00 O ATOM 616 CB SER A 39 39.328 -0.763 10.382 1.00 0.00 C ATOM 617 OG SER A 39 40.393 -1.253 11.184 1.00 0.00 O ATOM 0 H SER A 39 37.801 0.470 8.863 1.00 0.00 H new ATOM 0 HA SER A 39 38.805 1.019 11.500 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.411 -1.279 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.528 -1.018 9.341 1.00 0.00 H new ATOM 0 HG SER A 39 40.474 -2.222 11.064 1.00 0.00 H new ATOM 623 N GLN A 40 40.414 2.119 8.939 1.00 0.00 N ATOM 624 CA GLN A 40 41.528 2.989 8.548 1.00 0.00 C ATOM 625 C GLN A 40 41.599 4.213 9.486 1.00 0.00 C ATOM 626 O GLN A 40 40.930 5.223 9.294 1.00 0.00 O ATOM 627 CB GLN A 40 41.376 3.461 7.089 1.00 0.00 C ATOM 628 CG GLN A 40 41.476 2.336 6.038 1.00 0.00 C ATOM 629 CD GLN A 40 42.851 2.194 5.363 1.00 0.00 C ATOM 630 OE1 GLN A 40 42.978 2.329 4.157 1.00 0.00 O ATOM 631 NE2 GLN A 40 43.824 1.765 6.191 1.00 0.00 N ATOM 0 H GLN A 40 39.683 2.024 8.234 1.00 0.00 H new ATOM 0 HA GLN A 40 42.451 2.414 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.412 3.958 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 40 42.144 4.206 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.224 1.390 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.726 2.513 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 40 43.641 1.678 7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 40 44.743 1.528 5.818 1.00 0.00 H new ATOM 640 N ASN A 41 42.485 4.033 10.489 1.00 0.00 N ATOM 641 CA ASN A 41 42.835 5.054 11.472 1.00 0.00 C ATOM 642 C ASN A 41 43.140 6.400 10.799 1.00 0.00 C ATOM 643 O ASN A 41 43.878 6.484 9.825 1.00 0.00 O ATOM 644 CB ASN A 41 44.040 4.596 12.316 1.00 0.00 C ATOM 645 CG ASN A 41 45.012 3.684 11.544 1.00 0.00 C ATOM 646 OD1 ASN A 41 45.344 3.911 10.388 1.00 0.00 O ATOM 647 ND2 ASN A 41 45.416 2.614 12.264 1.00 0.00 N ATOM 0 H ASN A 41 42.981 3.153 10.632 1.00 0.00 H new ATOM 0 HA ASN A 41 41.975 5.193 12.127 1.00 0.00 H new ATOM 0 HB2 ASN A 41 44.580 5.473 12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 41 43.678 4.066 13.197 1.00 0.00 H new ATOM 0 HD21 ASN A 41 46.042 1.926 11.847 1.00 0.00 H new ATOM 0 HD22 ASN A 41 45.094 2.495 13.225 1.00 0.00 H new ATOM 654 N PHE A 42 42.480 7.420 11.392 1.00 0.00 N ATOM 655 CA PHE A 42 42.503 8.771 10.856 1.00 0.00 C ATOM 656 C PHE A 42 41.797 9.700 11.866 1.00 0.00 C ATOM 657 O PHE A 42 40.657 9.480 12.252 1.00 0.00 O ATOM 658 CB PHE A 42 41.794 8.793 9.483 1.00 0.00 C ATOM 659 CG PHE A 42 41.511 10.180 8.963 1.00 0.00 C ATOM 660 CD1 PHE A 42 42.450 11.202 9.086 1.00 0.00 C ATOM 661 CD2 PHE A 42 40.290 10.460 8.363 1.00 0.00 C ATOM 662 CE1 PHE A 42 42.162 12.485 8.644 1.00 0.00 C ATOM 663 CE2 PHE A 42 39.999 11.742 7.915 1.00 0.00 C ATOM 664 CZ PHE A 42 40.932 12.756 8.062 1.00 0.00 C ATOM 0 H PHE A 42 41.928 7.318 12.243 1.00 0.00 H new ATOM 0 HA PHE A 42 43.527 9.115 10.708 1.00 0.00 H new ATOM 0 HB2 PHE A 42 42.411 8.263 8.758 1.00 0.00 H new ATOM 0 HB3 PHE A 42 40.854 8.246 9.562 1.00 0.00 H new ATOM 0 HD1 PHE A 42 43.412 10.993 9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 42 39.560 9.673 8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 42 42.894 13.272 8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 42 39.045 11.949 7.452 1.00 0.00 H new ATOM 0 HZ PHE A 42 40.702 13.756 7.724 1.00 0.00 H new ATOM 674 N ASP A 43 42.562 10.751 12.238 1.00 0.00 N ATOM 675 CA ASP A 43 42.044 11.806 13.097 1.00 0.00 C ATOM 676 C ASP A 43 42.953 13.039 12.940 1.00 0.00 C ATOM 677 O ASP A 43 44.166 12.954 13.088 1.00 0.00 O ATOM 678 CB ASP A 43 42.008 11.309 14.561 1.00 0.00 C ATOM 679 CG ASP A 43 40.879 11.973 15.373 1.00 0.00 C ATOM 680 OD1 ASP A 43 40.730 13.194 15.307 1.00 0.00 O ATOM 681 OD2 ASP A 43 40.149 11.259 16.064 1.00 0.00 O ATOM 0 H ASP A 43 43.533 10.879 11.952 1.00 0.00 H new ATOM 0 HA ASP A 43 41.026 12.077 12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 43 41.874 10.227 14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 43 42.966 11.517 15.037 1.00 0.00 H new ATOM 686 N ASP A 44 42.289 14.176 12.630 1.00 0.00 N ATOM 687 CA ASP A 44 42.993 15.447 12.458 1.00 0.00 C ATOM 688 C ASP A 44 43.426 16.037 13.810 1.00 0.00 C ATOM 689 O ASP A 44 44.479 16.650 13.909 1.00 0.00 O ATOM 690 CB ASP A 44 42.086 16.458 11.737 1.00 0.00 C ATOM 691 CG ASP A 44 41.804 16.028 10.286 1.00 0.00 C ATOM 692 OD1 ASP A 44 42.588 16.377 9.401 1.00 0.00 O ATOM 693 OD2 ASP A 44 40.801 15.355 10.050 1.00 0.00 O ATOM 0 H ASP A 44 41.279 14.230 12.497 1.00 0.00 H new ATOM 0 HA ASP A 44 43.884 15.252 11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 44 41.145 16.555 12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 44 42.559 17.440 11.741 1.00 0.00 H new ATOM 698 N GLU A 45 42.554 15.813 14.821 1.00 0.00 N ATOM 699 CA GLU A 45 42.773 16.267 16.198 1.00 0.00 C ATOM 700 C GLU A 45 42.574 17.796 16.327 1.00 0.00 C ATOM 701 O GLU A 45 42.865 18.344 17.391 1.00 0.00 O ATOM 702 CB GLU A 45 44.151 15.826 16.744 1.00 0.00 C ATOM 703 CG GLU A 45 44.430 14.326 16.539 1.00 0.00 C ATOM 704 CD GLU A 45 45.856 13.963 16.988 1.00 0.00 C ATOM 705 OE1 GLU A 45 46.799 14.246 16.245 1.00 0.00 O ATOM 706 OE2 GLU A 45 46.014 13.400 18.071 1.00 0.00 O ATOM 707 OXT GLU A 45 42.130 18.427 15.366 1.00 0.00 O ATOM 0 H GLU A 45 41.676 15.309 14.695 1.00 0.00 H new ATOM 0 HA GLU A 45 42.018 15.782 16.817 1.00 0.00 H new ATOM 0 HB2 GLU A 45 44.932 16.405 16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 44.205 16.057 17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 45 43.707 13.738 17.103 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.299 14.069 15.488 1.00 0.00 H new TER 714 GLU A 45