USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 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= -0.0355 K(o=-0.036,f=-1) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) 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= -0.0024 K(o=-0.0024,f=-1.2) USER MOD Single : A 23 TYR OH : rot -116:sc= 0.346 USER MOD Single : A 26 CYS SG : rot -22:sc= -3.08! USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 1.72 (180deg=0.802) USER MOD Single : A 29 ASN : amide:sc= 0.0517 K(o=0.052,f=-2.7!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 35 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.33) USER MOD Single : A 39 SER OG : rot 83:sc= 1.27 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.301 X(o=-0.3,f=0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 31.454 -6.856 -11.540 1.00 0.00 N ATOM 2 CA GLN A 1 30.545 -5.739 -11.346 1.00 0.00 C ATOM 3 C GLN A 1 30.463 -5.366 -9.867 1.00 0.00 C ATOM 4 O GLN A 1 29.604 -5.862 -9.147 1.00 0.00 O ATOM 5 CB GLN A 1 29.112 -6.019 -11.839 1.00 0.00 C ATOM 6 CG GLN A 1 29.042 -6.254 -13.350 1.00 0.00 C ATOM 7 CD GLN A 1 27.643 -5.975 -13.919 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.696 -5.639 -13.211 1.00 0.00 O ATOM 9 NE2 GLN A 1 27.585 -6.105 -15.255 1.00 0.00 N ATOM 0 H1 GLN A 1 31.498 -7.096 -12.551 1.00 0.00 H new ATOM 0 H2 GLN A 1 32.403 -6.594 -11.205 1.00 0.00 H new ATOM 0 H3 GLN A 1 31.113 -7.679 -11.003 1.00 0.00 H new ATOM 0 HA GLN A 1 30.958 -4.924 -11.940 1.00 0.00 H new ATOM 0 HB2 GLN A 1 28.718 -6.893 -11.321 1.00 0.00 H new ATOM 0 HB3 GLN A 1 28.471 -5.178 -11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 1 29.769 -5.614 -13.849 1.00 0.00 H new ATOM 0 HG3 GLN A 1 29.322 -7.285 -13.569 1.00 0.00 H new ATOM 0 HE21 GLN A 1 28.415 -6.389 -15.776 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.711 -5.920 -15.748 1.00 0.00 H new ATOM 20 N GLU A 2 31.382 -4.464 -9.469 1.00 0.00 N ATOM 21 CA GLU A 2 31.440 -4.009 -8.087 1.00 0.00 C ATOM 22 C GLU A 2 31.460 -2.487 -7.973 1.00 0.00 C ATOM 23 O GLU A 2 31.599 -1.974 -6.872 1.00 0.00 O ATOM 24 CB GLU A 2 32.631 -4.668 -7.364 1.00 0.00 C ATOM 25 CG GLU A 2 32.286 -5.093 -5.927 1.00 0.00 C ATOM 26 CD GLU A 2 31.373 -6.359 -5.857 1.00 0.00 C ATOM 27 OE1 GLU A 2 30.531 -6.547 -6.726 1.00 0.00 O ATOM 28 OE2 GLU A 2 31.506 -7.162 -4.937 1.00 0.00 O ATOM 0 H GLU A 2 32.081 -4.047 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 2 30.523 -4.325 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.957 -5.541 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 2 33.469 -3.971 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 2 33.210 -5.290 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.787 -4.266 -5.421 1.00 0.00 H new ATOM 35 N LYS A 3 31.273 -1.816 -9.138 1.00 0.00 N ATOM 36 CA LYS A 3 31.236 -0.354 -9.232 1.00 0.00 C ATOM 37 C LYS A 3 30.116 0.282 -8.374 1.00 0.00 C ATOM 38 O LYS A 3 30.166 1.462 -8.052 1.00 0.00 O ATOM 39 CB LYS A 3 31.142 0.086 -10.694 1.00 0.00 C ATOM 40 CG LYS A 3 29.805 -0.239 -11.375 1.00 0.00 C ATOM 41 CD LYS A 3 28.936 1.007 -11.582 1.00 0.00 C ATOM 42 CE LYS A 3 27.811 0.759 -12.587 1.00 0.00 C ATOM 43 NZ LYS A 3 26.999 1.946 -12.818 1.00 0.00 N ATOM 0 H LYS A 3 31.144 -2.285 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 3 32.174 0.015 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.310 1.162 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.946 -0.390 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 3 29.997 -0.709 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.259 -0.963 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.508 1.314 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.559 1.830 -11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.239 0.426 -13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.175 -0.048 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.251 1.726 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.567 2.251 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 27.599 2.710 -13.191 1.00 0.00 H new ATOM 57 N GLU A 4 29.126 -0.570 -8.032 1.00 0.00 N ATOM 58 CA GLU A 4 27.974 -0.177 -7.228 1.00 0.00 C ATOM 59 C GLU A 4 28.399 0.176 -5.800 1.00 0.00 C ATOM 60 O GLU A 4 27.938 1.143 -5.206 1.00 0.00 O ATOM 61 CB GLU A 4 26.961 -1.339 -7.174 1.00 0.00 C ATOM 62 CG GLU A 4 25.533 -0.841 -7.434 1.00 0.00 C ATOM 63 CD GLU A 4 24.441 -1.780 -6.884 1.00 0.00 C ATOM 64 OE1 GLU A 4 24.542 -2.195 -5.733 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.490 -2.073 -7.614 1.00 0.00 O ATOM 0 H GLU A 4 29.114 -1.551 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 4 27.520 0.700 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.227 -2.092 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.009 -1.822 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.413 0.144 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.389 -0.720 -8.508 1.00 0.00 H new ATOM 72 N ALA A 5 29.313 -0.678 -5.302 1.00 0.00 N ATOM 73 CA ALA A 5 29.873 -0.431 -3.992 1.00 0.00 C ATOM 74 C ALA A 5 30.895 0.711 -4.047 1.00 0.00 C ATOM 75 O ALA A 5 31.248 1.245 -3.018 1.00 0.00 O ATOM 76 CB ALA A 5 30.499 -1.701 -3.415 1.00 0.00 C ATOM 0 H ALA A 5 29.659 -1.511 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 5 29.063 -0.129 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.913 -1.487 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.737 -2.475 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.294 -2.047 -4.075 1.00 0.00 H new ATOM 82 N ILE A 6 31.360 1.079 -5.260 1.00 0.00 N ATOM 83 CA ILE A 6 32.455 2.050 -5.327 1.00 0.00 C ATOM 84 C ILE A 6 31.976 3.486 -5.076 1.00 0.00 C ATOM 85 O ILE A 6 32.749 4.325 -4.647 1.00 0.00 O ATOM 86 CB ILE A 6 33.261 1.923 -6.633 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.664 0.468 -6.907 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.475 2.855 -6.680 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.443 -0.243 -5.803 1.00 0.00 C ATOM 0 H ILE A 6 31.013 0.737 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 6 33.138 1.807 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 6 32.595 2.245 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 6 32.759 -0.105 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 6 34.264 0.446 -7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 6 35.002 2.719 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.143 3.890 -6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.146 2.621 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.669 -1.263 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 6 35.373 0.292 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.844 -0.267 -4.893 1.00 0.00 H new ATOM 101 N GLU A 7 30.675 3.711 -5.328 1.00 0.00 N ATOM 102 CA GLU A 7 30.067 4.995 -4.992 1.00 0.00 C ATOM 103 C GLU A 7 29.502 4.977 -3.559 1.00 0.00 C ATOM 104 O GLU A 7 29.204 6.019 -2.994 1.00 0.00 O ATOM 105 CB GLU A 7 28.979 5.325 -6.021 1.00 0.00 C ATOM 106 CG GLU A 7 27.843 4.290 -6.060 1.00 0.00 C ATOM 107 CD GLU A 7 26.666 4.707 -6.963 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.773 5.704 -7.676 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.643 4.021 -6.936 1.00 0.00 O ATOM 0 H GLU A 7 30.042 3.033 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 7 30.828 5.775 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.560 6.305 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.433 5.393 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.241 3.338 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.474 4.128 -5.047 1.00 0.00 H new ATOM 116 N ARG A 8 29.369 3.747 -3.022 1.00 0.00 N ATOM 117 CA ARG A 8 28.780 3.543 -1.706 1.00 0.00 C ATOM 118 C ARG A 8 29.844 3.742 -0.626 1.00 0.00 C ATOM 119 O ARG A 8 29.671 4.527 0.292 1.00 0.00 O ATOM 120 CB ARG A 8 28.208 2.118 -1.639 1.00 0.00 C ATOM 121 CG ARG A 8 26.749 2.051 -1.163 1.00 0.00 C ATOM 122 CD ARG A 8 25.793 1.593 -2.270 1.00 0.00 C ATOM 123 NE ARG A 8 24.683 0.842 -1.696 1.00 0.00 N ATOM 124 CZ ARG A 8 23.546 0.579 -2.373 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.336 1.078 -3.588 1.00 0.00 N ATOM 126 NH2 ARG A 8 22.624 -0.194 -1.806 1.00 0.00 N ATOM 0 H ARG A 8 29.664 2.889 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 8 27.980 4.264 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.278 1.663 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.826 1.521 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.677 1.366 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.441 3.033 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.414 2.458 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.328 0.973 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 8 24.770 0.500 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.041 1.671 -4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.470 0.867 -4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 8 22.783 -0.577 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.758 -0.403 -2.303 1.00 0.00 H new ATOM 140 N LEU A 9 30.937 2.981 -0.836 1.00 0.00 N ATOM 141 CA LEU A 9 32.171 2.983 -0.063 1.00 0.00 C ATOM 142 C LEU A 9 32.767 4.411 -0.091 1.00 0.00 C ATOM 143 O LEU A 9 33.095 4.971 0.941 1.00 0.00 O ATOM 144 CB LEU A 9 33.135 1.942 -0.636 1.00 0.00 C ATOM 145 CG LEU A 9 32.606 0.495 -0.667 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.343 -0.249 -1.787 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.717 -0.230 0.676 1.00 0.00 C ATOM 0 H LEU A 9 30.972 2.309 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 9 31.982 2.712 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.398 2.236 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.054 1.962 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 9 31.535 0.519 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.989 -1.279 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.150 0.245 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.414 -0.242 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.325 -1.242 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.763 -0.274 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.142 0.309 1.429 1.00 0.00 H new ATOM 159 N LYS A 10 32.830 4.990 -1.312 1.00 0.00 N ATOM 160 CA LYS A 10 33.255 6.394 -1.423 1.00 0.00 C ATOM 161 C LYS A 10 32.298 7.365 -0.698 1.00 0.00 C ATOM 162 O LYS A 10 32.733 8.387 -0.185 1.00 0.00 O ATOM 163 CB LYS A 10 33.293 6.850 -2.884 1.00 0.00 C ATOM 164 CG LYS A 10 34.598 6.519 -3.607 1.00 0.00 C ATOM 165 CD LYS A 10 34.803 7.440 -4.815 1.00 0.00 C ATOM 166 CE LYS A 10 33.553 7.538 -5.711 1.00 0.00 C ATOM 167 NZ LYS A 10 33.860 7.461 -7.127 1.00 0.00 N ATOM 0 H LYS A 10 32.603 4.529 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 10 34.244 6.425 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.465 6.386 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.133 7.927 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.436 6.624 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.583 5.480 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.072 8.436 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.641 7.073 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 10 32.863 6.735 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.040 8.478 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 32.980 7.533 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.496 8.242 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 34.324 6.553 -7.333 1.00 0.00 H new ATOM 181 N ALA A 11 30.993 7.018 -0.708 1.00 0.00 N ATOM 182 CA ALA A 11 29.983 7.911 -0.134 1.00 0.00 C ATOM 183 C ALA A 11 30.133 8.072 1.393 1.00 0.00 C ATOM 184 O ALA A 11 29.637 9.037 1.961 1.00 0.00 O ATOM 185 CB ALA A 11 28.565 7.436 -0.478 1.00 0.00 C ATOM 0 H ALA A 11 30.628 6.149 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 11 30.148 8.890 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.836 8.118 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.440 7.419 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.410 6.434 -0.079 1.00 0.00 H new ATOM 191 N LEU A 12 30.851 7.112 2.016 1.00 0.00 N ATOM 192 CA LEU A 12 31.144 7.191 3.444 1.00 0.00 C ATOM 193 C LEU A 12 32.299 8.197 3.745 1.00 0.00 C ATOM 194 O LEU A 12 32.711 8.326 4.891 1.00 0.00 O ATOM 195 CB LEU A 12 31.523 5.789 3.956 1.00 0.00 C ATOM 196 CG LEU A 12 30.413 4.711 4.004 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.593 3.701 2.871 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.439 3.925 5.319 1.00 0.00 C ATOM 0 H LEU A 12 31.230 6.287 1.550 1.00 0.00 H new ATOM 0 HA LEU A 12 30.254 7.554 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.330 5.411 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.927 5.898 4.963 1.00 0.00 H new ATOM 0 HG LEU A 12 29.466 5.242 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.803 2.952 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.542 4.217 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.563 3.213 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.645 3.179 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.403 3.428 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.288 4.609 6.154 1.00 0.00 H new ATOM 210 N GLY A 13 32.783 8.898 2.689 1.00 0.00 N ATOM 211 CA GLY A 13 33.803 9.943 2.821 1.00 0.00 C ATOM 212 C GLY A 13 35.213 9.451 2.455 1.00 0.00 C ATOM 213 O GLY A 13 36.203 9.963 2.968 1.00 0.00 O ATOM 0 H GLY A 13 32.472 8.748 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.539 10.784 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.807 10.312 3.846 1.00 0.00 H new ATOM 217 N PHE A 14 35.242 8.427 1.568 1.00 0.00 N ATOM 218 CA PHE A 14 36.480 7.724 1.219 1.00 0.00 C ATOM 219 C PHE A 14 36.870 8.093 -0.233 1.00 0.00 C ATOM 220 O PHE A 14 36.658 9.220 -0.664 1.00 0.00 O ATOM 221 CB PHE A 14 36.264 6.206 1.442 1.00 0.00 C ATOM 222 CG PHE A 14 35.754 5.853 2.821 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.969 6.678 3.929 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.999 4.696 2.984 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.352 6.408 5.136 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.379 4.426 4.198 1.00 0.00 C ATOM 227 CZ PHE A 14 34.532 5.300 5.264 1.00 0.00 C ATOM 0 H PHE A 14 34.415 8.076 1.085 1.00 0.00 H new ATOM 0 HA PHE A 14 37.315 8.023 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.557 5.837 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.207 5.686 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.623 7.533 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.894 4.003 2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.510 7.062 5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.778 3.536 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 14 34.012 5.116 6.193 1.00 0.00 H new ATOM 237 N GLU A 15 37.451 7.101 -0.948 1.00 0.00 N ATOM 238 CA GLU A 15 37.960 7.288 -2.308 1.00 0.00 C ATOM 239 C GLU A 15 38.045 5.915 -2.976 1.00 0.00 C ATOM 240 O GLU A 15 38.428 4.942 -2.346 1.00 0.00 O ATOM 241 CB GLU A 15 39.364 7.924 -2.306 1.00 0.00 C ATOM 242 CG GLU A 15 39.662 8.717 -3.591 1.00 0.00 C ATOM 243 CD GLU A 15 39.203 10.190 -3.536 1.00 0.00 C ATOM 244 OE1 GLU A 15 39.212 10.779 -2.457 1.00 0.00 O ATOM 245 OE2 GLU A 15 38.852 10.738 -4.582 1.00 0.00 O ATOM 0 H GLU A 15 37.575 6.154 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 15 37.286 7.955 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.456 8.587 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.112 7.141 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.734 8.688 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.173 8.225 -4.432 1.00 0.00 H new ATOM 252 N GLU A 16 37.682 5.907 -4.277 1.00 0.00 N ATOM 253 CA GLU A 16 37.563 4.710 -5.108 1.00 0.00 C ATOM 254 C GLU A 16 38.836 3.809 -5.096 1.00 0.00 C ATOM 255 O GLU A 16 38.767 2.641 -5.452 1.00 0.00 O ATOM 256 CB GLU A 16 37.134 5.133 -6.525 1.00 0.00 C ATOM 257 CG GLU A 16 37.499 4.154 -7.658 1.00 0.00 C ATOM 258 CD GLU A 16 36.803 4.473 -8.997 1.00 0.00 C ATOM 259 OE1 GLU A 16 35.740 5.093 -8.992 1.00 0.00 O ATOM 260 OE2 GLU A 16 37.335 4.088 -10.039 1.00 0.00 O ATOM 0 H GLU A 16 37.459 6.764 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 16 36.793 4.068 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.054 5.277 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.585 6.100 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.579 4.169 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.234 3.142 -7.352 1.00 0.00 H new ATOM 267 N SER A 17 39.979 4.381 -4.664 1.00 0.00 N ATOM 268 CA SER A 17 41.209 3.604 -4.556 1.00 0.00 C ATOM 269 C SER A 17 41.226 2.778 -3.259 1.00 0.00 C ATOM 270 O SER A 17 41.421 1.570 -3.301 1.00 0.00 O ATOM 271 CB SER A 17 42.414 4.564 -4.565 1.00 0.00 C ATOM 272 OG SER A 17 43.059 4.643 -5.820 1.00 0.00 O ATOM 0 H SER A 17 40.066 5.360 -4.391 1.00 0.00 H new ATOM 0 HA SER A 17 41.264 2.919 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.078 5.559 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.134 4.238 -3.814 1.00 0.00 H new ATOM 0 HG SER A 17 43.812 5.267 -5.762 1.00 0.00 H new ATOM 278 N LEU A 18 41.019 3.483 -2.118 1.00 0.00 N ATOM 279 CA LEU A 18 41.009 2.788 -0.823 1.00 0.00 C ATOM 280 C LEU A 18 39.829 1.820 -0.725 1.00 0.00 C ATOM 281 O LEU A 18 39.862 0.869 0.049 1.00 0.00 O ATOM 282 CB LEU A 18 41.100 3.759 0.376 1.00 0.00 C ATOM 283 CG LEU A 18 39.823 4.475 0.881 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.534 4.181 2.363 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.935 5.991 0.695 1.00 0.00 C ATOM 0 H LEU A 18 40.864 4.490 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 18 41.916 2.186 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.515 3.202 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.825 4.530 0.116 1.00 0.00 H new ATOM 0 HG LEU A 18 39.000 4.085 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.629 4.706 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.395 3.109 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.373 4.520 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.026 6.470 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.791 6.364 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.069 6.219 -0.363 1.00 0.00 H new ATOM 297 N VAL A 19 38.830 2.124 -1.566 1.00 0.00 N ATOM 298 CA VAL A 19 37.554 1.442 -1.723 1.00 0.00 C ATOM 299 C VAL A 19 37.731 0.120 -2.477 1.00 0.00 C ATOM 300 O VAL A 19 37.395 -0.938 -1.970 1.00 0.00 O ATOM 301 CB VAL A 19 36.673 2.429 -2.503 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.611 1.794 -3.397 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.101 3.568 -1.640 1.00 0.00 C ATOM 0 H VAL A 19 38.908 2.918 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 19 37.105 1.176 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 19 37.381 2.886 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.045 2.577 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.093 1.158 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.935 1.193 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.490 4.223 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.488 3.148 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.920 4.141 -1.204 1.00 0.00 H new ATOM 313 N ILE A 20 38.248 0.258 -3.716 1.00 0.00 N ATOM 314 CA ILE A 20 38.445 -0.894 -4.594 1.00 0.00 C ATOM 315 C ILE A 20 39.308 -1.950 -3.903 1.00 0.00 C ATOM 316 O ILE A 20 38.970 -3.121 -3.917 1.00 0.00 O ATOM 317 CB ILE A 20 39.053 -0.442 -5.945 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.974 0.105 -6.894 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.877 -1.517 -6.672 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.087 -0.990 -7.508 1.00 0.00 C ATOM 0 H ILE A 20 38.531 1.151 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 20 37.479 -1.351 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 20 39.750 0.351 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.345 0.809 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.456 0.664 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.262 -1.110 -7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.710 -1.826 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.244 -2.378 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.348 -0.533 -8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.706 -1.681 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.577 -1.534 -6.713 1.00 0.00 H new ATOM 332 N GLN A 21 40.407 -1.450 -3.302 1.00 0.00 N ATOM 333 CA GLN A 21 41.351 -2.283 -2.570 1.00 0.00 C ATOM 334 C GLN A 21 40.770 -2.775 -1.229 1.00 0.00 C ATOM 335 O GLN A 21 41.133 -3.843 -0.765 1.00 0.00 O ATOM 336 CB GLN A 21 42.637 -1.480 -2.321 1.00 0.00 C ATOM 337 CG GLN A 21 43.370 -1.108 -3.619 1.00 0.00 C ATOM 338 CD GLN A 21 44.444 -0.028 -3.393 1.00 0.00 C ATOM 339 OE1 GLN A 21 44.498 0.638 -2.361 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.283 0.110 -4.434 1.00 0.00 N ATOM 0 H GLN A 21 40.654 -0.460 -3.317 1.00 0.00 H new ATOM 0 HA GLN A 21 41.565 -3.166 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.391 -0.569 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 21 43.305 -2.062 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.836 -1.999 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 21 42.647 -0.751 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.175 -0.481 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.028 0.806 -4.400 1.00 0.00 H new ATOM 349 N ALA A 22 39.859 -1.965 -0.645 1.00 0.00 N ATOM 350 CA ALA A 22 39.191 -2.368 0.597 1.00 0.00 C ATOM 351 C ALA A 22 38.096 -3.406 0.361 1.00 0.00 C ATOM 352 O ALA A 22 37.645 -4.030 1.309 1.00 0.00 O ATOM 353 CB ALA A 22 38.460 -1.200 1.265 1.00 0.00 C ATOM 0 H ALA A 22 39.580 -1.053 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 22 39.999 -2.759 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.981 -1.547 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.175 -0.413 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.703 -0.808 0.585 1.00 0.00 H new ATOM 359 N TYR A 23 37.672 -3.526 -0.911 1.00 0.00 N ATOM 360 CA TYR A 23 36.596 -4.446 -1.261 1.00 0.00 C ATOM 361 C TYR A 23 37.222 -5.739 -1.805 1.00 0.00 C ATOM 362 O TYR A 23 36.761 -6.821 -1.487 1.00 0.00 O ATOM 363 CB TYR A 23 35.643 -3.754 -2.254 1.00 0.00 C ATOM 364 CG TYR A 23 34.177 -4.038 -1.988 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.492 -3.259 -1.059 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.492 -5.048 -2.632 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.140 -3.461 -0.803 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.140 -5.256 -2.388 1.00 0.00 C ATOM 369 CZ TYR A 23 31.452 -4.455 -1.485 1.00 0.00 C ATOM 370 OH TYR A 23 30.106 -4.612 -1.237 1.00 0.00 O ATOM 0 H TYR A 23 38.057 -3.002 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 23 35.994 -4.718 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.809 -2.677 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.889 -4.077 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.021 -2.482 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.012 -5.684 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.628 -2.847 -0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.619 -6.048 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 23 29.949 -5.489 -0.830 1.00 0.00 H new ATOM 380 N PHE A 24 38.301 -5.557 -2.608 1.00 0.00 N ATOM 381 CA PHE A 24 39.019 -6.655 -3.267 1.00 0.00 C ATOM 382 C PHE A 24 39.871 -7.433 -2.256 1.00 0.00 C ATOM 383 O PHE A 24 39.927 -8.656 -2.300 1.00 0.00 O ATOM 384 CB PHE A 24 39.938 -6.142 -4.404 1.00 0.00 C ATOM 385 CG PHE A 24 39.402 -6.395 -5.792 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.214 -7.699 -6.246 1.00 0.00 C ATOM 387 CD2 PHE A 24 39.073 -5.343 -6.635 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.671 -7.940 -7.500 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.529 -5.574 -7.895 1.00 0.00 C ATOM 390 CZ PHE A 24 38.318 -6.876 -8.327 1.00 0.00 C ATOM 0 H PHE A 24 38.692 -4.637 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 24 38.262 -7.311 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.093 -5.071 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.914 -6.619 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.494 -8.530 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 24 39.242 -4.328 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 24 38.522 -8.956 -7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.272 -4.743 -8.535 1.00 0.00 H new ATOM 0 HZ PHE A 24 37.883 -7.063 -9.298 1.00 0.00 H new ATOM 400 N ALA A 25 40.525 -6.668 -1.358 1.00 0.00 N ATOM 401 CA ALA A 25 41.326 -7.276 -0.299 1.00 0.00 C ATOM 402 C ALA A 25 40.420 -7.978 0.730 1.00 0.00 C ATOM 403 O ALA A 25 40.835 -8.917 1.397 1.00 0.00 O ATOM 404 CB ALA A 25 42.191 -6.216 0.391 1.00 0.00 C ATOM 0 H ALA A 25 40.510 -5.648 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 25 41.981 -8.022 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.782 -6.685 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.858 -5.758 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.549 -5.450 0.827 1.00 0.00 H new ATOM 410 N CYS A 26 39.165 -7.482 0.791 1.00 0.00 N ATOM 411 CA CYS A 26 38.143 -8.074 1.650 1.00 0.00 C ATOM 412 C CYS A 26 37.427 -9.276 0.999 1.00 0.00 C ATOM 413 O CYS A 26 36.487 -9.796 1.586 1.00 0.00 O ATOM 414 CB CYS A 26 37.110 -7.000 2.006 1.00 0.00 C ATOM 415 SG CYS A 26 37.500 -6.248 3.614 1.00 0.00 S ATOM 0 H CYS A 26 38.846 -6.676 0.254 1.00 0.00 H new ATOM 0 HA CYS A 26 38.646 -8.449 2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.095 -6.232 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.114 -7.441 2.037 1.00 0.00 H new ATOM 0 HG CYS A 26 38.244 -7.061 4.304 1.00 0.00 H new ATOM 421 N GLU A 27 37.883 -9.687 -0.213 1.00 0.00 N ATOM 422 CA GLU A 27 37.238 -10.772 -0.961 1.00 0.00 C ATOM 423 C GLU A 27 35.774 -10.399 -1.297 1.00 0.00 C ATOM 424 O GLU A 27 34.829 -11.072 -0.918 1.00 0.00 O ATOM 425 CB GLU A 27 37.449 -12.114 -0.217 1.00 0.00 C ATOM 426 CG GLU A 27 36.556 -13.298 -0.659 1.00 0.00 C ATOM 427 CD GLU A 27 35.304 -13.526 0.233 1.00 0.00 C ATOM 428 OE1 GLU A 27 35.384 -13.294 1.436 1.00 0.00 O ATOM 429 OE2 GLU A 27 34.261 -13.930 -0.289 1.00 0.00 O ATOM 0 H GLU A 27 38.692 -9.279 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 27 37.705 -10.916 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.491 -12.410 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.286 -11.943 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.230 -13.128 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.156 -14.208 -0.662 1.00 0.00 H new ATOM 436 N LYS A 28 35.667 -9.275 -2.033 1.00 0.00 N ATOM 437 CA LYS A 28 34.421 -8.727 -2.568 1.00 0.00 C ATOM 438 C LYS A 28 33.189 -8.954 -1.659 1.00 0.00 C ATOM 439 O LYS A 28 32.154 -9.456 -2.079 1.00 0.00 O ATOM 440 CB LYS A 28 34.284 -9.220 -4.030 1.00 0.00 C ATOM 441 CG LYS A 28 34.619 -8.133 -5.064 1.00 0.00 C ATOM 442 CD LYS A 28 35.960 -7.427 -4.858 1.00 0.00 C ATOM 443 CE LYS A 28 35.969 -5.979 -5.376 1.00 0.00 C ATOM 444 NZ LYS A 28 35.655 -5.855 -6.791 1.00 0.00 N ATOM 0 H LYS A 28 36.480 -8.709 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 28 34.463 -7.638 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.943 -10.075 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.265 -9.570 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.613 -8.584 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.827 -7.384 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 28 36.204 -7.427 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.742 -7.992 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.250 -5.394 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 28 36.952 -5.545 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.333 -4.887 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.505 -6.061 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 34.903 -6.529 -7.040 1.00 0.00 H new ATOM 458 N ASN A 29 33.393 -8.567 -0.377 1.00 0.00 N ATOM 459 CA ASN A 29 32.407 -8.860 0.663 1.00 0.00 C ATOM 460 C ASN A 29 31.514 -7.616 0.844 1.00 0.00 C ATOM 461 O ASN A 29 31.225 -6.955 -0.141 1.00 0.00 O ATOM 462 CB ASN A 29 33.141 -9.332 1.937 1.00 0.00 C ATOM 463 CG ASN A 29 32.316 -10.379 2.698 1.00 0.00 C ATOM 464 OD1 ASN A 29 31.268 -10.092 3.272 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.831 -11.621 2.632 1.00 0.00 N ATOM 0 H ASN A 29 34.218 -8.062 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 29 31.741 -9.679 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.109 -9.754 1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.336 -8.478 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.345 -12.399 3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.708 -11.784 2.137 1.00 0.00 H new ATOM 472 N GLU A 30 31.082 -7.316 2.094 1.00 0.00 N ATOM 473 CA GLU A 30 30.190 -6.172 2.320 1.00 0.00 C ATOM 474 C GLU A 30 30.504 -5.538 3.680 1.00 0.00 C ATOM 475 O GLU A 30 31.083 -4.463 3.766 1.00 0.00 O ATOM 476 CB GLU A 30 28.708 -6.599 2.261 1.00 0.00 C ATOM 477 CG GLU A 30 28.209 -6.915 0.847 1.00 0.00 C ATOM 478 CD GLU A 30 26.796 -7.520 0.855 1.00 0.00 C ATOM 479 OE1 GLU A 30 25.922 -6.958 1.511 1.00 0.00 O ATOM 480 OE2 GLU A 30 26.586 -8.544 0.202 1.00 0.00 O ATOM 0 H GLU A 30 31.333 -7.839 2.933 1.00 0.00 H new ATOM 0 HA GLU A 30 30.358 -5.441 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.568 -7.478 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.094 -5.804 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.209 -6.003 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.898 -7.610 0.367 1.00 0.00 H new ATOM 487 N ASN A 31 30.091 -6.275 4.727 1.00 0.00 N ATOM 488 CA ASN A 31 30.350 -5.881 6.108 1.00 0.00 C ATOM 489 C ASN A 31 31.858 -5.841 6.399 1.00 0.00 C ATOM 490 O ASN A 31 32.290 -5.162 7.319 1.00 0.00 O ATOM 491 CB ASN A 31 29.666 -6.895 7.051 1.00 0.00 C ATOM 492 CG ASN A 31 28.573 -6.236 7.899 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.655 -5.601 7.388 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.723 -6.420 9.222 1.00 0.00 N ATOM 0 H ASN A 31 29.575 -7.150 4.633 1.00 0.00 H new ATOM 0 HA ASN A 31 29.949 -4.881 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.232 -7.703 6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.413 -7.344 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 31 28.047 -6.019 9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.512 -6.961 9.575 1.00 0.00 H new ATOM 501 N LEU A 32 32.615 -6.604 5.581 1.00 0.00 N ATOM 502 CA LEU A 32 34.059 -6.677 5.782 1.00 0.00 C ATOM 503 C LEU A 32 34.717 -5.426 5.185 1.00 0.00 C ATOM 504 O LEU A 32 35.607 -4.833 5.776 1.00 0.00 O ATOM 505 CB LEU A 32 34.633 -7.922 5.069 1.00 0.00 C ATOM 506 CG LEU A 32 35.777 -8.637 5.814 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.683 -7.718 6.643 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.208 -9.750 6.688 1.00 0.00 C ATOM 0 H LEU A 32 32.256 -7.157 4.803 1.00 0.00 H new ATOM 0 HA LEU A 32 34.263 -6.741 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.824 -8.635 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.993 -7.623 4.085 1.00 0.00 H new ATOM 0 HG LEU A 32 36.423 -9.048 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.457 -8.312 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 37.149 -6.980 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.088 -7.207 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.021 -10.252 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.516 -9.324 7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.680 -10.470 6.063 1.00 0.00 H new ATOM 520 N ALA A 33 34.222 -5.083 3.976 1.00 0.00 N ATOM 521 CA ALA A 33 34.749 -3.938 3.248 1.00 0.00 C ATOM 522 C ALA A 33 34.539 -2.639 4.016 1.00 0.00 C ATOM 523 O ALA A 33 35.461 -1.851 4.170 1.00 0.00 O ATOM 524 CB ALA A 33 34.061 -3.803 1.903 1.00 0.00 C ATOM 0 H ALA A 33 33.470 -5.582 3.500 1.00 0.00 H new ATOM 0 HA ALA A 33 35.817 -4.112 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.467 -2.942 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.231 -4.705 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.990 -3.665 2.054 1.00 0.00 H new ATOM 530 N ALA A 34 33.292 -2.475 4.503 1.00 0.00 N ATOM 531 CA ALA A 34 32.984 -1.328 5.346 1.00 0.00 C ATOM 532 C ALA A 34 33.939 -1.301 6.550 1.00 0.00 C ATOM 533 O ALA A 34 34.583 -0.309 6.820 1.00 0.00 O ATOM 534 CB ALA A 34 31.526 -1.367 5.810 1.00 0.00 C ATOM 0 H ALA A 34 32.511 -3.107 4.328 1.00 0.00 H new ATOM 0 HA ALA A 34 33.121 -0.416 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.321 -0.500 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.867 -1.350 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.350 -2.279 6.381 1.00 0.00 H new ATOM 540 N ASN A 35 34.044 -2.470 7.216 1.00 0.00 N ATOM 541 CA ASN A 35 34.944 -2.536 8.367 1.00 0.00 C ATOM 542 C ASN A 35 36.402 -2.132 8.019 1.00 0.00 C ATOM 543 O ASN A 35 37.065 -1.498 8.812 1.00 0.00 O ATOM 544 CB ASN A 35 34.950 -3.949 8.967 1.00 0.00 C ATOM 545 CG ASN A 35 34.917 -3.896 10.499 1.00 0.00 C ATOM 546 OD1 ASN A 35 34.131 -3.169 11.100 1.00 0.00 O ATOM 547 ND2 ASN A 35 35.790 -4.717 11.101 1.00 0.00 N ATOM 0 H ASN A 35 33.545 -3.330 6.989 1.00 0.00 H new ATOM 0 HA ASN A 35 34.561 -1.817 9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.089 -4.507 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.840 -4.484 8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 35 35.828 -4.763 12.119 1.00 0.00 H new ATOM 0 HD22 ASN A 35 36.416 -5.295 10.541 1.00 0.00 H new ATOM 554 N PHE A 36 36.841 -2.518 6.802 1.00 0.00 N ATOM 555 CA PHE A 36 38.196 -2.171 6.328 1.00 0.00 C ATOM 556 C PHE A 36 38.379 -0.636 6.280 1.00 0.00 C ATOM 557 O PHE A 36 39.330 -0.092 6.816 1.00 0.00 O ATOM 558 CB PHE A 36 38.420 -2.806 4.935 1.00 0.00 C ATOM 559 CG PHE A 36 39.798 -2.574 4.330 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.188 -1.307 3.894 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.683 -3.632 4.148 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.420 -1.090 3.301 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.926 -3.423 3.554 1.00 0.00 C ATOM 564 CZ PHE A 36 42.298 -2.153 3.128 1.00 0.00 C ATOM 0 H PHE A 36 36.287 -3.061 6.140 1.00 0.00 H new ATOM 0 HA PHE A 36 38.939 -2.565 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.251 -3.880 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.669 -2.413 4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.512 -0.475 4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.404 -4.624 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.698 -0.099 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.605 -4.253 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.261 -1.994 2.666 1.00 0.00 H new ATOM 574 N LEU A 37 37.421 0.005 5.571 1.00 0.00 N ATOM 575 CA LEU A 37 37.532 1.419 5.242 1.00 0.00 C ATOM 576 C LEU A 37 37.350 2.313 6.489 1.00 0.00 C ATOM 577 O LEU A 37 37.896 3.411 6.557 1.00 0.00 O ATOM 578 CB LEU A 37 36.483 1.784 4.182 1.00 0.00 C ATOM 579 CG LEU A 37 36.670 1.142 2.791 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.438 0.336 2.368 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.026 2.165 1.693 1.00 0.00 C ATOM 0 H LEU A 37 36.573 -0.443 5.224 1.00 0.00 H new ATOM 0 HA LEU A 37 38.534 1.596 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.501 1.502 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.479 2.867 4.062 1.00 0.00 H new ATOM 0 HG LEU A 37 37.519 0.466 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.609 -0.100 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.258 -0.460 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.569 0.993 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.144 1.650 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.228 2.903 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.958 2.667 1.952 1.00 0.00 H new ATOM 593 N LEU A 38 36.559 1.777 7.452 1.00 0.00 N ATOM 594 CA LEU A 38 36.216 2.506 8.672 1.00 0.00 C ATOM 595 C LEU A 38 37.303 2.270 9.753 1.00 0.00 C ATOM 596 O LEU A 38 37.500 3.085 10.647 1.00 0.00 O ATOM 597 CB LEU A 38 34.809 2.133 9.217 1.00 0.00 C ATOM 598 CG LEU A 38 33.601 2.093 8.238 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.370 2.849 8.756 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.918 2.592 6.829 1.00 0.00 C ATOM 0 H LEU A 38 36.153 0.843 7.396 1.00 0.00 H new ATOM 0 HA LEU A 38 36.180 3.566 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.887 1.150 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.566 2.841 10.009 1.00 0.00 H new ATOM 0 HG LEU A 38 33.372 1.029 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.566 2.780 8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.042 2.408 9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.627 3.896 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.022 2.531 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.255 3.627 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.703 1.974 6.392 1.00 0.00 H new ATOM 612 N SER A 39 37.994 1.116 9.599 1.00 0.00 N ATOM 613 CA SER A 39 39.080 0.718 10.497 1.00 0.00 C ATOM 614 C SER A 39 40.372 1.471 10.160 1.00 0.00 C ATOM 615 O SER A 39 41.191 1.735 11.033 1.00 0.00 O ATOM 616 CB SER A 39 39.332 -0.799 10.422 1.00 0.00 C ATOM 617 OG SER A 39 38.336 -1.562 11.072 1.00 0.00 O ATOM 0 H SER A 39 37.809 0.446 8.852 1.00 0.00 H new ATOM 0 HA SER A 39 38.775 0.974 11.512 1.00 0.00 H new ATOM 0 HB2 SER A 39 39.386 -1.100 9.376 1.00 0.00 H new ATOM 0 HB3 SER A 39 40.301 -1.022 10.869 1.00 0.00 H new ATOM 0 HG SER A 39 37.571 -1.681 10.471 1.00 0.00 H new ATOM 623 N GLN A 40 40.493 1.803 8.858 1.00 0.00 N ATOM 624 CA GLN A 40 41.631 2.576 8.383 1.00 0.00 C ATOM 625 C GLN A 40 41.372 4.069 8.654 1.00 0.00 C ATOM 626 O GLN A 40 40.698 4.757 7.896 1.00 0.00 O ATOM 627 CB GLN A 40 41.855 2.308 6.884 1.00 0.00 C ATOM 628 CG GLN A 40 42.270 0.860 6.552 1.00 0.00 C ATOM 629 CD GLN A 40 43.787 0.646 6.411 1.00 0.00 C ATOM 630 OE1 GLN A 40 44.442 0.081 7.286 1.00 0.00 O ATOM 631 NE2 GLN A 40 44.252 0.949 5.189 1.00 0.00 N ATOM 0 H GLN A 40 39.821 1.547 8.135 1.00 0.00 H new ATOM 0 HA GLN A 40 42.536 2.278 8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.938 2.543 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 40 42.624 2.987 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.894 0.200 7.334 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.786 0.561 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 40 43.647 1.419 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 40 45.210 0.709 4.934 1.00 0.00 H new ATOM 640 N ASN A 41 41.989 4.507 9.774 1.00 0.00 N ATOM 641 CA ASN A 41 42.067 5.913 10.175 1.00 0.00 C ATOM 642 C ASN A 41 42.491 6.821 9.008 1.00 0.00 C ATOM 643 O ASN A 41 43.462 6.566 8.303 1.00 0.00 O ATOM 644 CB ASN A 41 43.047 6.084 11.349 1.00 0.00 C ATOM 645 CG ASN A 41 44.221 5.088 11.283 1.00 0.00 C ATOM 646 OD1 ASN A 41 44.836 4.870 10.242 1.00 0.00 O ATOM 647 ND2 ASN A 41 44.443 4.454 12.443 1.00 0.00 N ATOM 0 H ASN A 41 42.451 3.877 10.429 1.00 0.00 H new ATOM 0 HA ASN A 41 41.067 6.214 10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 41 43.437 7.102 11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 41 42.511 5.949 12.289 1.00 0.00 H new ATOM 0 HD21 ASN A 41 45.165 3.735 12.502 1.00 0.00 H new ATOM 0 HD22 ASN A 41 43.890 4.690 13.267 1.00 0.00 H new ATOM 654 N PHE A 42 41.664 7.876 8.866 1.00 0.00 N ATOM 655 CA PHE A 42 41.776 8.826 7.773 1.00 0.00 C ATOM 656 C PHE A 42 40.737 9.939 8.009 1.00 0.00 C ATOM 657 O PHE A 42 39.630 9.918 7.487 1.00 0.00 O ATOM 658 CB PHE A 42 41.565 8.111 6.419 1.00 0.00 C ATOM 659 CG PHE A 42 41.570 9.041 5.233 1.00 0.00 C ATOM 660 CD1 PHE A 42 42.563 10.005 5.081 1.00 0.00 C ATOM 661 CD2 PHE A 42 40.570 8.949 4.268 1.00 0.00 C ATOM 662 CE1 PHE A 42 42.546 10.875 3.999 1.00 0.00 C ATOM 663 CE2 PHE A 42 40.551 9.814 3.184 1.00 0.00 C ATOM 664 CZ PHE A 42 41.536 10.782 3.052 1.00 0.00 C ATOM 0 H PHE A 42 40.903 8.082 9.514 1.00 0.00 H new ATOM 0 HA PHE A 42 42.772 9.268 7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 42 42.348 7.365 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 42 40.616 7.576 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 42 43.355 10.077 5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 42 39.801 8.196 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 42 43.318 11.623 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 42 39.770 9.734 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 41.517 11.462 2.213 1.00 0.00 H new ATOM 674 N ASP A 43 41.190 10.908 8.825 1.00 0.00 N ATOM 675 CA ASP A 43 40.396 12.084 9.151 1.00 0.00 C ATOM 676 C ASP A 43 41.331 13.286 9.407 1.00 0.00 C ATOM 677 O ASP A 43 41.587 13.667 10.542 1.00 0.00 O ATOM 678 CB ASP A 43 39.432 11.786 10.327 1.00 0.00 C ATOM 679 CG ASP A 43 40.064 11.173 11.606 1.00 0.00 C ATOM 680 OD1 ASP A 43 41.274 11.248 11.788 1.00 0.00 O ATOM 681 OD2 ASP A 43 39.315 10.620 12.417 1.00 0.00 O ATOM 0 H ASP A 43 42.109 10.890 9.268 1.00 0.00 H new ATOM 0 HA ASP A 43 39.759 12.351 8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 43 38.935 12.716 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 43 38.659 11.106 9.970 1.00 0.00 H new ATOM 686 N ASP A 44 41.790 13.877 8.275 1.00 0.00 N ATOM 687 CA ASP A 44 42.626 15.089 8.287 1.00 0.00 C ATOM 688 C ASP A 44 41.993 16.235 9.114 1.00 0.00 C ATOM 689 O ASP A 44 42.700 17.075 9.659 1.00 0.00 O ATOM 690 CB ASP A 44 42.883 15.570 6.836 1.00 0.00 C ATOM 691 CG ASP A 44 44.243 15.105 6.275 1.00 0.00 C ATOM 692 OD1 ASP A 44 44.645 13.976 6.549 1.00 0.00 O ATOM 693 OD2 ASP A 44 44.888 15.885 5.570 1.00 0.00 O ATOM 0 H ASP A 44 41.589 13.525 7.339 1.00 0.00 H new ATOM 0 HA ASP A 44 43.570 14.825 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 44 42.086 15.201 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 44 42.838 16.659 6.807 1.00 0.00 H new ATOM 698 N GLU A 45 40.647 16.202 9.194 1.00 0.00 N ATOM 699 CA GLU A 45 39.904 17.125 10.045 1.00 0.00 C ATOM 700 C GLU A 45 40.083 16.740 11.538 1.00 0.00 C ATOM 701 O GLU A 45 41.053 17.193 12.155 1.00 0.00 O ATOM 702 CB GLU A 45 38.433 17.108 9.584 1.00 0.00 C ATOM 703 CG GLU A 45 37.591 18.233 10.211 1.00 0.00 C ATOM 704 CD GLU A 45 36.221 18.451 9.528 1.00 0.00 C ATOM 705 OE1 GLU A 45 35.978 17.880 8.466 1.00 0.00 O ATOM 706 OE2 GLU A 45 35.410 19.202 10.071 1.00 0.00 O ATOM 707 OXT GLU A 45 39.261 15.998 12.068 1.00 0.00 O ATOM 0 H GLU A 45 40.063 15.544 8.677 1.00 0.00 H new ATOM 0 HA GLU A 45 40.281 18.144 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 45 38.398 17.198 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 45 37.990 16.145 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 45 37.428 18.006 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 38.158 19.163 10.169 1.00 0.00 H new TER 714 GLU A 45