USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 7 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0333) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 15:sc= -0.535 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0641) USER MOD Single : A 21 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.33) USER MOD Single : A 22 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.3) USER MOD Single : A 62 SER OG : rot 120:sc= 0.801 USER MOD Single : A 67 GLN : amide:sc= 0.0155 X(o=0.015,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc=-0.00104 (180deg=-0.146) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 0.17 (180deg=0.124) USER MOD Single : A 74 SER OG : rot 84:sc= 0.0481 USER MOD Single : A 75 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 4.537 -5.936 2.379 1.00 0.00 N ATOM 49 CA GLU A 4 4.019 -6.255 3.699 1.00 0.00 C ATOM 50 C GLU A 4 2.516 -5.974 3.761 1.00 0.00 C ATOM 51 O GLU A 4 1.744 -6.807 4.233 1.00 0.00 O ATOM 52 CB GLU A 4 4.767 -5.480 4.784 1.00 0.00 C ATOM 53 CG GLU A 4 5.231 -6.413 5.904 1.00 0.00 C ATOM 54 CD GLU A 4 4.340 -6.272 7.140 1.00 0.00 C ATOM 55 OE1 GLU A 4 3.107 -6.378 6.966 1.00 0.00 O ATOM 56 OE2 GLU A 4 4.913 -6.061 8.231 1.00 0.00 O ATOM 0 HA GLU A 4 4.178 -7.317 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.628 -4.975 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.119 -4.706 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.212 -7.445 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.264 -6.185 6.168 1.00 0.00 H new ATOM 63 N GLU A 5 2.146 -4.797 3.278 1.00 0.00 N ATOM 64 CA GLU A 5 0.750 -4.395 3.273 1.00 0.00 C ATOM 65 C GLU A 5 -0.047 -5.258 2.294 1.00 0.00 C ATOM 66 O GLU A 5 -1.239 -5.491 2.493 1.00 0.00 O ATOM 67 CB GLU A 5 0.608 -2.909 2.936 1.00 0.00 C ATOM 68 CG GLU A 5 0.398 -2.077 4.202 1.00 0.00 C ATOM 69 CD GLU A 5 -0.739 -1.071 4.015 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.887 -1.536 3.845 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.435 0.141 4.045 1.00 0.00 O ATOM 0 H GLU A 5 2.789 -4.109 2.887 1.00 0.00 H new ATOM 0 HA GLU A 5 0.345 -4.547 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.500 -2.564 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.233 -2.765 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.171 -2.735 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.318 -1.549 4.451 1.00 0.00 H new ATOM 78 N LEU A 6 0.642 -5.710 1.256 1.00 0.00 N ATOM 79 CA LEU A 6 0.013 -6.543 0.245 1.00 0.00 C ATOM 80 C LEU A 6 -0.426 -7.864 0.880 1.00 0.00 C ATOM 81 O LEU A 6 -1.512 -8.364 0.592 1.00 0.00 O ATOM 82 CB LEU A 6 0.942 -6.718 -0.958 1.00 0.00 C ATOM 83 CG LEU A 6 0.859 -5.632 -2.032 1.00 0.00 C ATOM 84 CD1 LEU A 6 2.010 -5.760 -3.032 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.506 -5.647 -2.724 1.00 0.00 C ATOM 0 H LEU A 6 1.630 -5.515 1.093 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.885 -6.061 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.969 -6.765 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.724 -7.679 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 6 0.962 -4.662 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.927 -4.976 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.960 -5.660 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.964 -6.735 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.538 -4.865 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.664 -6.617 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.289 -5.470 -1.987 1.00 0.00 H new ATOM 97 N LYS A 7 0.440 -8.391 1.732 1.00 0.00 N ATOM 98 CA LYS A 7 0.155 -9.644 2.410 1.00 0.00 C ATOM 99 C LYS A 7 -1.093 -9.477 3.279 1.00 0.00 C ATOM 100 O LYS A 7 -2.029 -10.270 3.188 1.00 0.00 O ATOM 101 CB LYS A 7 1.383 -10.126 3.185 1.00 0.00 C ATOM 102 CG LYS A 7 1.490 -11.652 3.149 1.00 0.00 C ATOM 103 CD LYS A 7 0.569 -12.291 4.191 1.00 0.00 C ATOM 104 CE LYS A 7 1.083 -12.035 5.608 1.00 0.00 C ATOM 105 NZ LYS A 7 0.152 -11.153 6.347 1.00 0.00 N ATOM 0 H LYS A 7 1.340 -7.973 1.969 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.063 -10.428 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.283 -9.685 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.321 -9.786 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.228 -12.015 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.521 -11.952 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.438 -11.887 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.502 -13.364 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.194 -12.981 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.071 -11.576 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.618 -10.798 7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.119 -10.350 5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.699 -11.690 6.611 1.00 0.00 H new ATOM 119 N GLY A 8 -1.067 -8.439 4.103 1.00 0.00 N ATOM 120 CA GLY A 8 -2.184 -8.157 4.988 1.00 0.00 C ATOM 121 C GLY A 8 -3.478 -7.967 4.193 1.00 0.00 C ATOM 122 O GLY A 8 -4.467 -8.657 4.435 1.00 0.00 O ATOM 0 H GLY A 8 -0.289 -7.783 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.306 -8.975 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.975 -7.259 5.569 1.00 0.00 H new ATOM 126 N ILE A 9 -3.429 -7.026 3.261 1.00 0.00 N ATOM 127 CA ILE A 9 -4.585 -6.736 2.430 1.00 0.00 C ATOM 128 C ILE A 9 -5.065 -8.027 1.763 1.00 0.00 C ATOM 129 O ILE A 9 -6.258 -8.329 1.773 1.00 0.00 O ATOM 130 CB ILE A 9 -4.265 -5.615 1.439 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.416 -4.242 2.097 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.116 -5.741 0.174 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.154 -3.120 1.091 1.00 0.00 C ATOM 0 H ILE A 9 -2.607 -6.455 3.063 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.409 -6.366 3.040 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.223 -5.714 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.421 -4.140 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.720 -4.156 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.868 -4.932 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.915 -6.699 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.172 -5.682 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.268 -2.155 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.140 -3.211 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.867 -3.194 0.270 1.00 0.00 H new ATOM 145 N PHE A 10 -4.112 -8.754 1.200 1.00 0.00 N ATOM 146 CA PHE A 10 -4.423 -10.006 0.530 1.00 0.00 C ATOM 147 C PHE A 10 -5.261 -10.916 1.430 1.00 0.00 C ATOM 148 O PHE A 10 -6.338 -11.362 1.037 1.00 0.00 O ATOM 149 CB PHE A 10 -3.090 -10.694 0.227 1.00 0.00 C ATOM 150 CG PHE A 10 -3.196 -12.212 0.071 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.123 -13.016 1.166 1.00 0.00 C ATOM 152 CD2 PHE A 10 -3.362 -12.759 -1.164 1.00 0.00 C ATOM 153 CE1 PHE A 10 -3.221 -14.425 1.021 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.460 -14.168 -1.309 1.00 0.00 C ATOM 155 CZ PHE A 10 -3.387 -14.971 -0.214 1.00 0.00 C ATOM 0 H PHE A 10 -3.124 -8.501 1.194 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.995 -9.811 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.675 -10.273 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.386 -10.469 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.990 -12.582 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.419 -12.121 -2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.164 -15.063 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.593 -14.602 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.461 -16.043 -0.325 1.00 0.00 H new ATOM 165 N GLU A 11 -4.735 -11.165 2.620 1.00 0.00 N ATOM 166 CA GLU A 11 -5.421 -12.014 3.579 1.00 0.00 C ATOM 167 C GLU A 11 -6.773 -11.405 3.954 1.00 0.00 C ATOM 168 O GLU A 11 -7.749 -12.127 4.154 1.00 0.00 O ATOM 169 CB GLU A 11 -4.559 -12.245 4.822 1.00 0.00 C ATOM 170 CG GLU A 11 -4.412 -13.739 5.117 1.00 0.00 C ATOM 171 CD GLU A 11 -4.781 -14.050 6.569 1.00 0.00 C ATOM 172 OE1 GLU A 11 -5.703 -13.376 7.077 1.00 0.00 O ATOM 173 OE2 GLU A 11 -4.133 -14.955 7.138 1.00 0.00 O ATOM 0 H GLU A 11 -3.841 -10.794 2.942 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.598 -12.984 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.574 -11.801 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.009 -11.744 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.052 -14.311 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.386 -14.052 4.924 1.00 0.00 H new ATOM 180 N LYS A 12 -6.788 -10.083 4.039 1.00 0.00 N ATOM 181 CA LYS A 12 -8.005 -9.369 4.388 1.00 0.00 C ATOM 182 C LYS A 12 -9.093 -9.695 3.363 1.00 0.00 C ATOM 183 O LYS A 12 -10.281 -9.656 3.680 1.00 0.00 O ATOM 184 CB LYS A 12 -7.725 -7.872 4.532 1.00 0.00 C ATOM 185 CG LYS A 12 -8.534 -7.272 5.684 1.00 0.00 C ATOM 186 CD LYS A 12 -8.504 -5.743 5.636 1.00 0.00 C ATOM 187 CE LYS A 12 -9.076 -5.143 6.922 1.00 0.00 C ATOM 188 NZ LYS A 12 -7.985 -4.662 7.800 1.00 0.00 N ATOM 0 H LYS A 12 -5.977 -9.487 3.872 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.373 -9.696 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.661 -7.713 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.974 -7.360 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.565 -7.621 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.130 -7.618 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.479 -5.400 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.079 -5.391 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.746 -4.318 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.670 -5.891 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.391 -4.258 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.362 -5.457 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.435 -3.933 7.303 1.00 0.00 H new ATOM 202 N TYR A 13 -8.649 -10.009 2.155 1.00 0.00 N ATOM 203 CA TYR A 13 -9.570 -10.341 1.081 1.00 0.00 C ATOM 204 C TYR A 13 -9.754 -11.855 0.966 1.00 0.00 C ATOM 205 O TYR A 13 -10.862 -12.333 0.729 1.00 0.00 O ATOM 206 CB TYR A 13 -8.926 -9.818 -0.204 1.00 0.00 C ATOM 207 CG TYR A 13 -9.389 -8.417 -0.607 1.00 0.00 C ATOM 208 CD1 TYR A 13 -8.803 -7.305 -0.037 1.00 0.00 C ATOM 209 CD2 TYR A 13 -10.394 -8.264 -1.541 1.00 0.00 C ATOM 210 CE1 TYR A 13 -9.239 -5.986 -0.417 1.00 0.00 C ATOM 211 CE2 TYR A 13 -10.831 -6.946 -1.920 1.00 0.00 C ATOM 212 CZ TYR A 13 -10.231 -5.872 -1.339 1.00 0.00 C ATOM 213 OH TYR A 13 -10.644 -4.626 -1.698 1.00 0.00 O ATOM 0 H TYR A 13 -7.663 -10.041 1.896 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.550 -9.901 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.843 -9.809 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.147 -10.510 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.017 -7.424 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.853 -9.134 -1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.788 -5.108 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.617 -6.813 -2.649 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.987 -3.964 -1.397 1.00 0.00 H new ATOM 223 N ALA A 14 -8.651 -12.568 1.138 1.00 0.00 N ATOM 224 CA ALA A 14 -8.677 -14.019 1.056 1.00 0.00 C ATOM 225 C ALA A 14 -9.507 -14.576 2.215 1.00 0.00 C ATOM 226 O ALA A 14 -10.056 -15.672 2.119 1.00 0.00 O ATOM 227 CB ALA A 14 -7.244 -14.556 1.055 1.00 0.00 C ATOM 0 H ALA A 14 -7.733 -12.168 1.334 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.147 -14.343 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.263 -15.644 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.705 -14.154 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.741 -14.253 1.974 1.00 0.00 H new ATOM 233 N ALA A 15 -9.572 -13.795 3.283 1.00 0.00 N ATOM 234 CA ALA A 15 -10.326 -14.197 4.459 1.00 0.00 C ATOM 235 C ALA A 15 -11.803 -13.854 4.254 1.00 0.00 C ATOM 236 O ALA A 15 -12.672 -14.418 4.917 1.00 0.00 O ATOM 237 CB ALA A 15 -9.737 -13.521 5.698 1.00 0.00 C ATOM 0 H ALA A 15 -9.115 -12.886 3.359 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.256 -15.274 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.302 -13.822 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.695 -13.820 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.793 -12.439 5.583 1.00 0.00 H new ATOM 243 N LYS A 16 -12.041 -12.931 3.333 1.00 0.00 N ATOM 244 CA LYS A 16 -13.398 -12.507 3.033 1.00 0.00 C ATOM 245 C LYS A 16 -14.245 -13.732 2.684 1.00 0.00 C ATOM 246 O LYS A 16 -15.173 -14.077 3.415 1.00 0.00 O ATOM 247 CB LYS A 16 -13.394 -11.431 1.944 1.00 0.00 C ATOM 248 CG LYS A 16 -14.211 -10.212 2.375 1.00 0.00 C ATOM 249 CD LYS A 16 -14.490 -9.291 1.186 1.00 0.00 C ATOM 250 CE LYS A 16 -15.831 -8.572 1.352 1.00 0.00 C ATOM 251 NZ LYS A 16 -16.912 -9.332 0.688 1.00 0.00 N ATOM 0 H LYS A 16 -11.317 -12.465 2.785 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.854 -12.042 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.369 -11.129 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.805 -11.841 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.153 -10.538 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.672 -9.663 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.689 -8.558 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.497 -9.873 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.059 -8.455 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.768 -7.570 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.825 -9.090 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.936 -9.090 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.736 -10.351 0.795 1.00 0.00 H new ATOM 265 N GLU A 17 -13.897 -14.355 1.568 1.00 0.00 N ATOM 266 CA GLU A 17 -14.614 -15.534 1.114 1.00 0.00 C ATOM 267 C GLU A 17 -13.689 -16.753 1.119 1.00 0.00 C ATOM 268 O GLU A 17 -12.588 -16.703 0.572 1.00 0.00 O ATOM 269 CB GLU A 17 -15.217 -15.308 -0.274 1.00 0.00 C ATOM 270 CG GLU A 17 -16.491 -14.466 -0.188 1.00 0.00 C ATOM 271 CD GLU A 17 -17.627 -15.108 -0.987 1.00 0.00 C ATOM 272 OE1 GLU A 17 -17.306 -15.786 -1.986 1.00 0.00 O ATOM 273 OE2 GLU A 17 -18.792 -14.906 -0.580 1.00 0.00 O ATOM 0 H GLU A 17 -13.127 -14.065 0.964 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.436 -15.724 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.489 -14.809 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.442 -16.269 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.790 -14.358 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.295 -13.464 -0.569 1.00 0.00 H new ATOM 280 N GLY A 18 -14.170 -17.818 1.742 1.00 0.00 N ATOM 281 CA GLY A 18 -13.400 -19.048 1.826 1.00 0.00 C ATOM 282 C GLY A 18 -12.118 -18.838 2.635 1.00 0.00 C ATOM 283 O GLY A 18 -11.861 -17.739 3.123 1.00 0.00 O ATOM 0 H GLY A 18 -15.084 -17.855 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.003 -19.828 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.149 -19.393 0.823 1.00 0.00 H new ATOM 287 N ASP A 19 -11.349 -19.910 2.752 1.00 0.00 N ATOM 288 CA ASP A 19 -10.100 -19.858 3.494 1.00 0.00 C ATOM 289 C ASP A 19 -9.192 -18.790 2.881 1.00 0.00 C ATOM 290 O ASP A 19 -9.079 -18.692 1.660 1.00 0.00 O ATOM 291 CB ASP A 19 -9.364 -21.198 3.429 1.00 0.00 C ATOM 292 CG ASP A 19 -8.515 -21.529 4.658 1.00 0.00 C ATOM 293 OD1 ASP A 19 -7.414 -20.946 4.761 1.00 0.00 O ATOM 294 OD2 ASP A 19 -8.986 -22.358 5.466 1.00 0.00 O ATOM 0 H ASP A 19 -11.566 -20.820 2.346 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.335 -19.626 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.097 -21.992 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.720 -21.199 2.550 1.00 0.00 H new ATOM 299 N PRO A 20 -8.552 -17.995 3.780 1.00 0.00 N ATOM 300 CA PRO A 20 -7.658 -16.938 3.340 1.00 0.00 C ATOM 301 C PRO A 20 -6.327 -17.513 2.850 1.00 0.00 C ATOM 302 O PRO A 20 -5.438 -16.769 2.441 1.00 0.00 O ATOM 303 CB PRO A 20 -7.502 -16.027 4.547 1.00 0.00 C ATOM 304 CG PRO A 20 -7.936 -16.850 5.749 1.00 0.00 C ATOM 305 CD PRO A 20 -8.662 -18.082 5.233 1.00 0.00 C ATOM 0 HA PRO A 20 -8.050 -16.384 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.470 -15.694 4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.117 -15.133 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.071 -17.139 6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.589 -16.265 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.206 -18.997 5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.704 -18.090 5.552 1.00 0.00 H new ATOM 313 N ASN A 21 -6.234 -18.834 2.907 1.00 0.00 N ATOM 314 CA ASN A 21 -5.027 -19.518 2.474 1.00 0.00 C ATOM 315 C ASN A 21 -5.138 -19.843 0.983 1.00 0.00 C ATOM 316 O ASN A 21 -4.192 -20.350 0.383 1.00 0.00 O ATOM 317 CB ASN A 21 -4.837 -20.833 3.232 1.00 0.00 C ATOM 318 CG ASN A 21 -4.271 -20.583 4.632 1.00 0.00 C ATOM 319 OD1 ASN A 21 -3.156 -20.959 4.955 1.00 0.00 O ATOM 320 ND2 ASN A 21 -5.099 -19.929 5.441 1.00 0.00 N ATOM 0 H ASN A 21 -6.974 -19.448 3.246 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.179 -18.863 2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.792 -21.353 3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.164 -21.484 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.814 -19.713 6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.019 -19.643 5.106 1.00 0.00 H new ATOM 327 N GLN A 22 -6.302 -19.538 0.429 1.00 0.00 N ATOM 328 CA GLN A 22 -6.549 -19.792 -0.981 1.00 0.00 C ATOM 329 C GLN A 22 -7.452 -18.705 -1.565 1.00 0.00 C ATOM 330 O GLN A 22 -8.550 -18.468 -1.062 1.00 0.00 O ATOM 331 CB GLN A 22 -7.156 -21.181 -1.190 1.00 0.00 C ATOM 332 CG GLN A 22 -8.034 -21.579 -0.002 1.00 0.00 C ATOM 333 CD GLN A 22 -8.508 -23.029 -0.132 1.00 0.00 C ATOM 334 OE1 GLN A 22 -9.114 -23.425 -1.114 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.198 -23.794 0.910 1.00 0.00 N ATOM 0 H GLN A 22 -7.084 -19.118 0.930 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.595 -19.766 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.749 -21.189 -2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.360 -21.914 -1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.474 -21.457 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.896 -20.915 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.689 -23.398 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.469 -24.777 0.920 1.00 0.00 H new ATOM 344 N LEU A 23 -6.958 -18.072 -2.619 1.00 0.00 N ATOM 345 CA LEU A 23 -7.707 -17.016 -3.278 1.00 0.00 C ATOM 346 C LEU A 23 -8.713 -17.638 -4.248 1.00 0.00 C ATOM 347 O LEU A 23 -8.584 -18.804 -4.618 1.00 0.00 O ATOM 348 CB LEU A 23 -6.755 -16.015 -3.937 1.00 0.00 C ATOM 349 CG LEU A 23 -6.180 -14.933 -3.021 1.00 0.00 C ATOM 350 CD1 LEU A 23 -7.132 -13.739 -2.919 1.00 0.00 C ATOM 351 CD2 LEU A 23 -5.830 -15.506 -1.647 1.00 0.00 C ATOM 0 H LEU A 23 -6.047 -18.271 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.280 -16.444 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.926 -16.568 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.283 -15.527 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.252 -14.569 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.700 -12.984 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.287 -13.312 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.088 -14.069 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.423 -14.716 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.728 -15.914 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.089 -16.297 -1.761 1.00 0.00 H new ATOM 363 N SER A 24 -9.692 -16.833 -4.632 1.00 0.00 N ATOM 364 CA SER A 24 -10.720 -17.290 -5.552 1.00 0.00 C ATOM 365 C SER A 24 -11.012 -16.206 -6.591 1.00 0.00 C ATOM 366 O SER A 24 -10.612 -15.055 -6.422 1.00 0.00 O ATOM 367 CB SER A 24 -12.001 -17.667 -4.804 1.00 0.00 C ATOM 368 OG SER A 24 -11.793 -18.751 -3.903 1.00 0.00 O ATOM 0 H SER A 24 -9.796 -15.867 -4.323 1.00 0.00 H new ATOM 0 HA SER A 24 -10.352 -18.182 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.366 -16.801 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.775 -17.936 -5.523 1.00 0.00 H new ATOM 0 HG SER A 24 -12.633 -18.961 -3.444 1.00 0.00 H new ATOM 374 N LYS A 25 -11.707 -16.612 -7.644 1.00 0.00 N ATOM 375 CA LYS A 25 -12.057 -15.690 -8.710 1.00 0.00 C ATOM 376 C LYS A 25 -12.814 -14.499 -8.121 1.00 0.00 C ATOM 377 O LYS A 25 -12.389 -13.354 -8.267 1.00 0.00 O ATOM 378 CB LYS A 25 -12.821 -16.417 -9.818 1.00 0.00 C ATOM 379 CG LYS A 25 -12.955 -15.536 -11.062 1.00 0.00 C ATOM 380 CD LYS A 25 -14.016 -16.090 -12.015 1.00 0.00 C ATOM 381 CE LYS A 25 -15.416 -15.629 -11.603 1.00 0.00 C ATOM 382 NZ LYS A 25 -16.228 -15.308 -12.798 1.00 0.00 N ATOM 0 H LYS A 25 -12.037 -17.567 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.157 -15.294 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.303 -17.340 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.811 -16.697 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.221 -14.521 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.995 -15.477 -11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.805 -15.760 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.974 -17.179 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.906 -16.410 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.342 -14.752 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.175 -14.997 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.767 -14.547 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.314 -16.154 -13.397 1.00 0.00 H new ATOM 396 N GLU A 26 -13.924 -14.809 -7.467 1.00 0.00 N ATOM 397 CA GLU A 26 -14.745 -13.778 -6.854 1.00 0.00 C ATOM 398 C GLU A 26 -13.927 -12.985 -5.833 1.00 0.00 C ATOM 399 O GLU A 26 -14.020 -11.760 -5.774 1.00 0.00 O ATOM 400 CB GLU A 26 -15.992 -14.383 -6.207 1.00 0.00 C ATOM 401 CG GLU A 26 -17.213 -14.225 -7.115 1.00 0.00 C ATOM 402 CD GLU A 26 -16.896 -14.673 -8.543 1.00 0.00 C ATOM 403 OE1 GLU A 26 -17.087 -15.878 -8.816 1.00 0.00 O ATOM 404 OE2 GLU A 26 -16.468 -13.801 -9.330 1.00 0.00 O ATOM 0 H GLU A 26 -14.274 -15.760 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.077 -13.093 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.822 -15.440 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.181 -13.897 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.042 -14.813 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.535 -13.184 -7.120 1.00 0.00 H new ATOM 411 N GLU A 27 -13.143 -13.716 -5.054 1.00 0.00 N ATOM 412 CA GLU A 27 -12.309 -13.096 -4.039 1.00 0.00 C ATOM 413 C GLU A 27 -11.331 -12.111 -4.683 1.00 0.00 C ATOM 414 O GLU A 27 -11.284 -10.942 -4.307 1.00 0.00 O ATOM 415 CB GLU A 27 -11.564 -14.153 -3.221 1.00 0.00 C ATOM 416 CG GLU A 27 -12.322 -14.486 -1.935 1.00 0.00 C ATOM 417 CD GLU A 27 -11.358 -14.905 -0.823 1.00 0.00 C ATOM 418 OE1 GLU A 27 -10.366 -15.587 -1.160 1.00 0.00 O ATOM 419 OE2 GLU A 27 -11.635 -14.535 0.338 1.00 0.00 O ATOM 0 H GLU A 27 -13.068 -14.732 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.953 -12.543 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.438 -15.057 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.566 -13.791 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.899 -13.619 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.034 -15.289 -2.126 1.00 0.00 H new ATOM 426 N LEU A 28 -10.575 -12.622 -5.644 1.00 0.00 N ATOM 427 CA LEU A 28 -9.601 -11.802 -6.345 1.00 0.00 C ATOM 428 C LEU A 28 -10.316 -10.624 -7.010 1.00 0.00 C ATOM 429 O LEU A 28 -9.826 -9.496 -6.976 1.00 0.00 O ATOM 430 CB LEU A 28 -8.784 -12.654 -7.318 1.00 0.00 C ATOM 431 CG LEU A 28 -7.377 -12.145 -7.637 1.00 0.00 C ATOM 432 CD1 LEU A 28 -6.850 -11.248 -6.515 1.00 0.00 C ATOM 433 CD2 LEU A 28 -6.428 -13.307 -7.936 1.00 0.00 C ATOM 0 H LEU A 28 -10.617 -13.593 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.881 -11.383 -5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.700 -13.660 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.339 -12.737 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.431 -11.534 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.848 -10.900 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.512 -10.391 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.814 -11.813 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.435 -12.917 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.373 -13.964 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.799 -13.868 -8.794 1.00 0.00 H new ATOM 445 N LYS A 29 -11.464 -10.926 -7.598 1.00 0.00 N ATOM 446 CA LYS A 29 -12.252 -9.906 -8.270 1.00 0.00 C ATOM 447 C LYS A 29 -12.302 -8.650 -7.397 1.00 0.00 C ATOM 448 O LYS A 29 -11.928 -7.566 -7.842 1.00 0.00 O ATOM 449 CB LYS A 29 -13.632 -10.453 -8.641 1.00 0.00 C ATOM 450 CG LYS A 29 -14.458 -9.399 -9.380 1.00 0.00 C ATOM 451 CD LYS A 29 -15.455 -10.056 -10.338 1.00 0.00 C ATOM 452 CE LYS A 29 -16.887 -9.622 -10.021 1.00 0.00 C ATOM 453 NZ LYS A 29 -17.440 -10.428 -8.911 1.00 0.00 N ATOM 0 H LYS A 29 -11.868 -11.862 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.784 -9.622 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.520 -11.338 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.158 -10.766 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.994 -8.781 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.795 -8.737 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.209 -9.787 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.375 -11.141 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.902 -8.565 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.512 -9.735 -10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -18.413 -10.120 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.444 -11.433 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.853 -10.299 -8.062 1.00 0.00 H new ATOM 467 N LEU A 30 -12.768 -8.838 -6.171 1.00 0.00 N ATOM 468 CA LEU A 30 -12.873 -7.734 -5.233 1.00 0.00 C ATOM 469 C LEU A 30 -11.518 -7.032 -5.125 1.00 0.00 C ATOM 470 O LEU A 30 -11.414 -5.833 -5.379 1.00 0.00 O ATOM 471 CB LEU A 30 -13.421 -8.222 -3.890 1.00 0.00 C ATOM 472 CG LEU A 30 -14.769 -8.944 -3.939 1.00 0.00 C ATOM 473 CD1 LEU A 30 -15.446 -8.934 -2.567 1.00 0.00 C ATOM 474 CD2 LEU A 30 -15.669 -8.354 -5.027 1.00 0.00 C ATOM 0 H LEU A 30 -13.077 -9.739 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.588 -6.995 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.688 -8.893 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.515 -7.364 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.589 -9.986 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.402 -9.453 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.806 -9.437 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.612 -7.904 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.620 -8.886 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.846 -7.299 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.183 -8.457 -5.997 1.00 0.00 H new ATOM 486 N LEU A 31 -10.513 -7.809 -4.749 1.00 0.00 N ATOM 487 CA LEU A 31 -9.169 -7.277 -4.605 1.00 0.00 C ATOM 488 C LEU A 31 -8.797 -6.493 -5.865 1.00 0.00 C ATOM 489 O LEU A 31 -8.584 -5.283 -5.807 1.00 0.00 O ATOM 490 CB LEU A 31 -8.183 -8.396 -4.264 1.00 0.00 C ATOM 491 CG LEU A 31 -6.922 -7.972 -3.509 1.00 0.00 C ATOM 492 CD1 LEU A 31 -6.762 -8.774 -2.215 1.00 0.00 C ATOM 493 CD2 LEU A 31 -5.685 -8.077 -4.404 1.00 0.00 C ATOM 0 H LEU A 31 -10.603 -8.803 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.124 -6.578 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.705 -9.144 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.881 -8.882 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.029 -6.924 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.858 -8.453 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.627 -8.605 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.687 -9.835 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.803 -7.770 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.563 -9.108 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.807 -7.428 -5.271 1.00 0.00 H new ATOM 505 N LEU A 32 -8.730 -7.215 -6.974 1.00 0.00 N ATOM 506 CA LEU A 32 -8.388 -6.602 -8.246 1.00 0.00 C ATOM 507 C LEU A 32 -9.238 -5.346 -8.447 1.00 0.00 C ATOM 508 O LEU A 32 -8.861 -4.451 -9.203 1.00 0.00 O ATOM 509 CB LEU A 32 -8.516 -7.619 -9.382 1.00 0.00 C ATOM 510 CG LEU A 32 -7.723 -8.917 -9.213 1.00 0.00 C ATOM 511 CD1 LEU A 32 -8.207 -9.987 -10.193 1.00 0.00 C ATOM 512 CD2 LEU A 32 -6.220 -8.662 -9.339 1.00 0.00 C ATOM 0 H LEU A 32 -8.907 -8.219 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.345 -6.285 -8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.570 -7.873 -9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.199 -7.141 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.902 -9.297 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.627 -10.899 -10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.261 -10.196 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.078 -9.630 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.680 -9.601 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.003 -8.246 -10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.905 -7.958 -8.569 1.00 0.00 H new ATOM 524 N GLN A 33 -10.369 -5.318 -7.757 1.00 0.00 N ATOM 525 CA GLN A 33 -11.275 -4.187 -7.851 1.00 0.00 C ATOM 526 C GLN A 33 -10.654 -2.953 -7.192 1.00 0.00 C ATOM 527 O GLN A 33 -10.452 -1.931 -7.846 1.00 0.00 O ATOM 528 CB GLN A 33 -12.632 -4.518 -7.225 1.00 0.00 C ATOM 529 CG GLN A 33 -13.778 -4.005 -8.099 1.00 0.00 C ATOM 530 CD GLN A 33 -15.091 -3.967 -7.315 1.00 0.00 C ATOM 531 OE1 GLN A 33 -15.445 -2.979 -6.694 1.00 0.00 O ATOM 532 NE2 GLN A 33 -15.791 -5.097 -7.378 1.00 0.00 N ATOM 0 H GLN A 33 -10.678 -6.061 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.442 -3.967 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.723 -5.596 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.698 -4.071 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.541 -3.007 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.890 -4.648 -8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.436 -5.887 -7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.682 -5.173 -6.888 1.00 0.00 H new ATOM 541 N THR A 34 -10.369 -3.090 -5.905 1.00 0.00 N ATOM 542 CA THR A 34 -9.775 -1.999 -5.151 1.00 0.00 C ATOM 543 C THR A 34 -8.253 -2.011 -5.305 1.00 0.00 C ATOM 544 O THR A 34 -7.649 -0.986 -5.619 1.00 0.00 O ATOM 545 CB THR A 34 -10.239 -2.121 -3.698 1.00 0.00 C ATOM 546 OG1 THR A 34 -11.252 -1.127 -3.572 1.00 0.00 O ATOM 547 CG2 THR A 34 -9.163 -1.686 -2.701 1.00 0.00 C ATOM 0 H THR A 34 -10.538 -3.939 -5.366 1.00 0.00 H new ATOM 0 HA THR A 34 -10.102 -1.031 -5.532 1.00 0.00 H new ATOM 0 HB THR A 34 -10.526 -3.153 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.609 -1.138 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.544 -1.792 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.279 -2.311 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.899 -0.644 -2.882 1.00 0.00 H new ATOM 555 N GLU A 35 -7.676 -3.182 -5.077 1.00 0.00 N ATOM 556 CA GLU A 35 -6.236 -3.340 -5.186 1.00 0.00 C ATOM 557 C GLU A 35 -5.728 -2.702 -6.481 1.00 0.00 C ATOM 558 O GLU A 35 -4.913 -1.782 -6.445 1.00 0.00 O ATOM 559 CB GLU A 35 -5.839 -4.816 -5.111 1.00 0.00 C ATOM 560 CG GLU A 35 -4.342 -4.996 -5.371 1.00 0.00 C ATOM 561 CD GLU A 35 -3.610 -5.410 -4.093 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.024 -4.924 -3.019 1.00 0.00 O ATOM 563 OE2 GLU A 35 -2.652 -6.203 -4.220 1.00 0.00 O ATOM 0 H GLU A 35 -8.180 -4.030 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.770 -2.828 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.091 -5.214 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.410 -5.387 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.191 -5.752 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.921 -4.065 -5.751 1.00 0.00 H new ATOM 570 N PHE A 36 -6.232 -3.215 -7.594 1.00 0.00 N ATOM 571 CA PHE A 36 -5.840 -2.706 -8.897 1.00 0.00 C ATOM 572 C PHE A 36 -6.963 -2.896 -9.920 1.00 0.00 C ATOM 573 O PHE A 36 -7.030 -3.926 -10.589 1.00 0.00 O ATOM 574 CB PHE A 36 -4.619 -3.512 -9.343 1.00 0.00 C ATOM 575 CG PHE A 36 -3.340 -3.183 -8.569 1.00 0.00 C ATOM 576 CD1 PHE A 36 -2.816 -1.930 -8.625 1.00 0.00 C ATOM 577 CD2 PHE A 36 -2.728 -4.144 -7.827 1.00 0.00 C ATOM 578 CE1 PHE A 36 -1.629 -1.624 -7.907 1.00 0.00 C ATOM 579 CE2 PHE A 36 -1.542 -3.839 -7.109 1.00 0.00 C ATOM 580 CZ PHE A 36 -1.017 -2.586 -7.164 1.00 0.00 C ATOM 0 H PHE A 36 -6.908 -3.978 -7.620 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.622 -1.640 -8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.837 -4.574 -9.231 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.446 -3.333 -10.404 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.302 -1.167 -9.215 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.144 -5.140 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.213 -0.628 -7.951 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.057 -4.602 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.114 -2.354 -6.618 1.00 0.00 H new ATOM 590 N PRO A 37 -7.838 -1.859 -10.011 1.00 0.00 N ATOM 591 CA PRO A 37 -8.954 -1.901 -10.941 1.00 0.00 C ATOM 592 C PRO A 37 -8.480 -1.673 -12.377 1.00 0.00 C ATOM 593 O PRO A 37 -9.157 -2.061 -13.328 1.00 0.00 O ATOM 594 CB PRO A 37 -9.913 -0.827 -10.453 1.00 0.00 C ATOM 595 CG PRO A 37 -9.095 0.086 -9.555 1.00 0.00 C ATOM 596 CD PRO A 37 -7.789 -0.624 -9.234 1.00 0.00 C ATOM 0 HA PRO A 37 -9.446 -2.874 -10.965 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.338 -0.273 -11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.747 -1.267 -9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.901 1.036 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.642 0.311 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.929 -0.015 -9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.702 -0.830 -8.167 1.00 0.00 H new ATOM 604 N SER A 38 -7.319 -1.043 -12.490 1.00 0.00 N ATOM 605 CA SER A 38 -6.747 -0.758 -13.795 1.00 0.00 C ATOM 606 C SER A 38 -6.375 -2.064 -14.500 1.00 0.00 C ATOM 607 O SER A 38 -6.437 -2.151 -15.725 1.00 0.00 O ATOM 608 CB SER A 38 -5.519 0.147 -13.671 1.00 0.00 C ATOM 609 OG SER A 38 -5.297 0.909 -14.855 1.00 0.00 O ATOM 0 H SER A 38 -6.760 -0.722 -11.700 1.00 0.00 H new ATOM 0 HA SER A 38 -7.494 -0.232 -14.389 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.649 0.821 -12.825 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.639 -0.462 -13.461 1.00 0.00 H new ATOM 0 HG SER A 38 -4.506 1.475 -14.736 1.00 0.00 H new ATOM 615 N LEU A 39 -5.996 -3.046 -13.696 1.00 0.00 N ATOM 616 CA LEU A 39 -5.615 -4.343 -14.227 1.00 0.00 C ATOM 617 C LEU A 39 -6.851 -5.039 -14.799 1.00 0.00 C ATOM 618 O LEU A 39 -6.733 -5.935 -15.634 1.00 0.00 O ATOM 619 CB LEU A 39 -4.884 -5.165 -13.163 1.00 0.00 C ATOM 620 CG LEU A 39 -3.467 -5.618 -13.521 1.00 0.00 C ATOM 621 CD1 LEU A 39 -2.870 -6.482 -12.409 1.00 0.00 C ATOM 622 CD2 LEU A 39 -3.445 -6.330 -14.875 1.00 0.00 C ATOM 0 H LEU A 39 -5.945 -2.969 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.907 -4.225 -15.047 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.835 -4.576 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.482 -6.049 -12.942 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.838 -4.732 -13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.863 -6.790 -12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.830 -5.907 -11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.492 -7.365 -12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.426 -6.642 -15.106 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.092 -7.206 -14.836 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.801 -5.650 -15.649 1.00 0.00 H new ATOM 634 N LEU A 40 -8.009 -4.601 -14.327 1.00 0.00 N ATOM 635 CA LEU A 40 -9.266 -5.170 -14.782 1.00 0.00 C ATOM 636 C LEU A 40 -9.573 -4.660 -16.191 1.00 0.00 C ATOM 637 O LEU A 40 -10.254 -5.331 -16.964 1.00 0.00 O ATOM 638 CB LEU A 40 -10.379 -4.889 -13.770 1.00 0.00 C ATOM 639 CG LEU A 40 -10.210 -5.532 -12.391 1.00 0.00 C ATOM 640 CD1 LEU A 40 -11.239 -4.984 -11.401 1.00 0.00 C ATOM 641 CD2 LEU A 40 -10.264 -7.058 -12.488 1.00 0.00 C ATOM 0 H LEU A 40 -8.103 -3.859 -13.634 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.191 -6.256 -14.846 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.459 -3.810 -13.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.323 -5.230 -14.195 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.224 -5.268 -12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.097 -5.457 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.110 -3.906 -11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.244 -5.198 -11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.141 -7.490 -11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.226 -7.363 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.463 -7.410 -13.138 1.00 0.00 H new ATOM 653 N LYS A 41 -9.055 -3.475 -16.482 1.00 0.00 N ATOM 654 CA LYS A 41 -9.266 -2.867 -17.785 1.00 0.00 C ATOM 655 C LYS A 41 -8.456 -3.629 -18.836 1.00 0.00 C ATOM 656 O LYS A 41 -8.891 -3.770 -19.977 1.00 0.00 O ATOM 657 CB LYS A 41 -8.952 -1.370 -17.733 1.00 0.00 C ATOM 658 CG LYS A 41 -9.945 -0.632 -16.832 1.00 0.00 C ATOM 659 CD LYS A 41 -10.336 0.718 -17.437 1.00 0.00 C ATOM 660 CE LYS A 41 -11.855 0.843 -17.563 1.00 0.00 C ATOM 661 NZ LYS A 41 -12.262 0.796 -18.986 1.00 0.00 N ATOM 0 H LYS A 41 -8.490 -2.921 -15.838 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.314 -2.941 -18.075 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.938 -1.220 -17.362 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.988 -0.952 -18.739 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.837 -1.243 -16.690 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.504 -0.479 -15.847 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.952 1.525 -16.813 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.876 0.827 -18.419 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.339 0.036 -17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.187 1.779 -17.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.296 0.882 -19.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.814 1.581 -19.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.962 -0.108 -19.403 1.00 0.00 H new ATOM 675 N GLY A 42 -7.293 -4.101 -18.412 1.00 0.00 N ATOM 676 CA GLY A 42 -6.418 -4.845 -19.303 1.00 0.00 C ATOM 677 C GLY A 42 -7.220 -5.810 -20.178 1.00 0.00 C ATOM 678 O GLY A 42 -8.389 -6.078 -19.903 1.00 0.00 O ATOM 0 H GLY A 42 -6.936 -3.983 -17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.862 -4.152 -19.935 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.686 -5.402 -18.718 1.00 0.00 H new ATOM 682 N MET A 43 -6.561 -6.305 -21.215 1.00 0.00 N ATOM 683 CA MET A 43 -7.198 -7.234 -22.133 1.00 0.00 C ATOM 684 C MET A 43 -7.403 -8.600 -21.475 1.00 0.00 C ATOM 685 O MET A 43 -7.999 -9.496 -22.070 1.00 0.00 O ATOM 686 CB MET A 43 -6.329 -7.394 -23.382 1.00 0.00 C ATOM 687 CG MET A 43 -6.132 -6.052 -24.089 1.00 0.00 C ATOM 688 SD MET A 43 -6.142 -6.286 -25.858 1.00 0.00 S ATOM 689 CE MET A 43 -4.398 -6.122 -26.203 1.00 0.00 C ATOM 0 H MET A 43 -5.592 -6.080 -21.440 1.00 0.00 H new ATOM 0 HA MET A 43 -8.174 -6.833 -22.408 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.360 -7.808 -23.104 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.795 -8.104 -24.065 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.924 -5.360 -23.801 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.188 -5.603 -23.779 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.226 -6.242 -27.273 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.056 -5.136 -25.889 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.846 -6.888 -25.658 1.00 0.00 H new ATOM 699 N SER A 44 -6.898 -8.716 -20.256 1.00 0.00 N ATOM 700 CA SER A 44 -7.018 -9.958 -19.511 1.00 0.00 C ATOM 701 C SER A 44 -8.274 -9.924 -18.637 1.00 0.00 C ATOM 702 O SER A 44 -8.262 -9.354 -17.548 1.00 0.00 O ATOM 703 CB SER A 44 -5.779 -10.205 -18.648 1.00 0.00 C ATOM 704 OG SER A 44 -4.633 -10.514 -19.437 1.00 0.00 O ATOM 0 H SER A 44 -6.405 -7.970 -19.765 1.00 0.00 H new ATOM 0 HA SER A 44 -7.100 -10.778 -20.224 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.576 -9.321 -18.044 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.976 -11.025 -17.957 1.00 0.00 H new ATOM 0 HG SER A 44 -3.862 -10.663 -18.850 1.00 0.00 H new ATOM 710 N THR A 45 -9.329 -10.542 -19.149 1.00 0.00 N ATOM 711 CA THR A 45 -10.590 -10.590 -18.429 1.00 0.00 C ATOM 712 C THR A 45 -10.432 -11.381 -17.129 1.00 0.00 C ATOM 713 O THR A 45 -9.402 -12.015 -16.905 1.00 0.00 O ATOM 714 CB THR A 45 -11.648 -11.171 -19.369 1.00 0.00 C ATOM 715 OG1 THR A 45 -11.232 -12.519 -19.570 1.00 0.00 O ATOM 716 CG2 THR A 45 -11.593 -10.552 -20.767 1.00 0.00 C ATOM 0 H THR A 45 -9.336 -11.013 -20.054 1.00 0.00 H new ATOM 0 HA THR A 45 -10.913 -9.593 -18.129 1.00 0.00 H new ATOM 0 HB THR A 45 -12.638 -11.014 -18.941 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.864 -12.971 -20.167 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.364 -11.000 -21.394 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.761 -9.477 -20.696 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.614 -10.737 -21.209 1.00 0.00 H new ATOM 724 N LEU A 46 -11.469 -11.318 -16.306 1.00 0.00 N ATOM 725 CA LEU A 46 -11.459 -12.020 -15.034 1.00 0.00 C ATOM 726 C LEU A 46 -11.061 -13.479 -15.265 1.00 0.00 C ATOM 727 O LEU A 46 -10.033 -13.933 -14.765 1.00 0.00 O ATOM 728 CB LEU A 46 -12.801 -11.854 -14.320 1.00 0.00 C ATOM 729 CG LEU A 46 -12.754 -11.870 -12.791 1.00 0.00 C ATOM 730 CD1 LEU A 46 -12.771 -10.447 -12.227 1.00 0.00 C ATOM 731 CD2 LEU A 46 -13.883 -12.728 -12.216 1.00 0.00 C ATOM 0 H LEU A 46 -12.322 -10.791 -16.496 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.714 -11.588 -14.366 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.246 -10.912 -14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.467 -12.650 -14.652 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.814 -12.327 -12.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.737 -10.487 -11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.905 -9.898 -12.597 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.683 -9.941 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.826 -12.722 -11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.845 -12.323 -12.531 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.784 -13.751 -12.579 1.00 0.00 H new ATOM 743 N ASP A 47 -11.896 -14.174 -16.023 1.00 0.00 N ATOM 744 CA ASP A 47 -11.645 -15.572 -16.327 1.00 0.00 C ATOM 745 C ASP A 47 -10.173 -15.751 -16.703 1.00 0.00 C ATOM 746 O ASP A 47 -9.485 -16.604 -16.145 1.00 0.00 O ATOM 747 CB ASP A 47 -12.496 -16.041 -17.508 1.00 0.00 C ATOM 748 CG ASP A 47 -13.609 -17.029 -17.152 1.00 0.00 C ATOM 749 OD1 ASP A 47 -13.262 -18.196 -16.869 1.00 0.00 O ATOM 750 OD2 ASP A 47 -14.780 -16.595 -17.172 1.00 0.00 O ATOM 0 H ASP A 47 -12.748 -13.794 -16.436 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.899 -16.160 -15.445 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.944 -15.168 -17.983 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.842 -16.505 -18.246 1.00 0.00 H new ATOM 755 N GLU A 48 -9.733 -14.933 -17.649 1.00 0.00 N ATOM 756 CA GLU A 48 -8.356 -14.990 -18.107 1.00 0.00 C ATOM 757 C GLU A 48 -7.396 -14.842 -16.924 1.00 0.00 C ATOM 758 O GLU A 48 -6.446 -15.611 -16.791 1.00 0.00 O ATOM 759 CB GLU A 48 -8.086 -13.922 -19.169 1.00 0.00 C ATOM 760 CG GLU A 48 -7.871 -14.558 -20.543 1.00 0.00 C ATOM 761 CD GLU A 48 -6.945 -13.699 -21.406 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.910 -13.259 -20.862 1.00 0.00 O ATOM 763 OE2 GLU A 48 -7.294 -13.502 -22.591 1.00 0.00 O ATOM 0 H GLU A 48 -10.307 -14.227 -18.110 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.187 -15.964 -18.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.925 -13.227 -19.213 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.206 -13.342 -18.891 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.443 -15.553 -20.424 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.831 -14.681 -21.045 1.00 0.00 H new ATOM 770 N LEU A 49 -7.679 -13.847 -16.095 1.00 0.00 N ATOM 771 CA LEU A 49 -6.854 -13.588 -14.928 1.00 0.00 C ATOM 772 C LEU A 49 -6.938 -14.781 -13.973 1.00 0.00 C ATOM 773 O LEU A 49 -5.925 -15.223 -13.434 1.00 0.00 O ATOM 774 CB LEU A 49 -7.240 -12.256 -14.283 1.00 0.00 C ATOM 775 CG LEU A 49 -6.080 -11.349 -13.869 1.00 0.00 C ATOM 776 CD1 LEU A 49 -5.697 -10.396 -15.004 1.00 0.00 C ATOM 777 CD2 LEU A 49 -6.404 -10.599 -12.576 1.00 0.00 C ATOM 0 H LEU A 49 -8.468 -13.211 -16.209 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.808 -13.484 -15.217 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.873 -11.707 -14.981 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.845 -12.464 -13.400 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.212 -11.976 -13.668 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.870 -9.762 -14.684 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.394 -10.974 -15.877 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.554 -9.773 -15.260 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.563 -9.962 -12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.292 -9.984 -12.725 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.589 -11.316 -11.776 1.00 0.00 H new ATOM 789 N PHE A 50 -8.157 -15.268 -13.793 1.00 0.00 N ATOM 790 CA PHE A 50 -8.388 -16.401 -12.913 1.00 0.00 C ATOM 791 C PHE A 50 -7.601 -17.628 -13.380 1.00 0.00 C ATOM 792 O PHE A 50 -6.854 -18.222 -12.605 1.00 0.00 O ATOM 793 CB PHE A 50 -9.884 -16.717 -12.973 1.00 0.00 C ATOM 794 CG PHE A 50 -10.334 -17.787 -11.976 1.00 0.00 C ATOM 795 CD1 PHE A 50 -9.980 -17.689 -10.667 1.00 0.00 C ATOM 796 CD2 PHE A 50 -11.088 -18.837 -12.400 1.00 0.00 C ATOM 797 CE1 PHE A 50 -10.398 -18.682 -9.742 1.00 0.00 C ATOM 798 CE2 PHE A 50 -11.506 -19.830 -11.475 1.00 0.00 C ATOM 799 CZ PHE A 50 -11.152 -19.732 -10.166 1.00 0.00 C ATOM 0 H PHE A 50 -8.995 -14.899 -14.242 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.064 -16.158 -11.901 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.446 -15.802 -12.787 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.135 -17.046 -13.981 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.381 -16.856 -10.331 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.369 -18.915 -13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.117 -18.604 -8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.105 -20.663 -11.811 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.469 -20.488 -9.463 1.00 0.00 H new ATOM 809 N GLU A 51 -7.795 -17.969 -14.646 1.00 0.00 N ATOM 810 CA GLU A 51 -7.113 -19.114 -15.225 1.00 0.00 C ATOM 811 C GLU A 51 -5.618 -18.823 -15.370 1.00 0.00 C ATOM 812 O GLU A 51 -4.786 -19.696 -15.132 1.00 0.00 O ATOM 813 CB GLU A 51 -7.731 -19.496 -16.572 1.00 0.00 C ATOM 814 CG GLU A 51 -8.528 -20.796 -16.460 1.00 0.00 C ATOM 815 CD GLU A 51 -8.556 -21.540 -17.797 1.00 0.00 C ATOM 816 OE1 GLU A 51 -9.236 -21.032 -18.715 1.00 0.00 O ATOM 817 OE2 GLU A 51 -7.897 -22.599 -17.871 1.00 0.00 O ATOM 0 H GLU A 51 -8.414 -17.473 -15.286 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.234 -19.964 -14.553 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.383 -18.694 -16.917 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.944 -19.611 -17.318 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.085 -21.433 -15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.547 -20.576 -16.141 1.00 0.00 H new ATOM 824 N GLU A 52 -5.322 -17.592 -15.761 1.00 0.00 N ATOM 825 CA GLU A 52 -3.942 -17.175 -15.941 1.00 0.00 C ATOM 826 C GLU A 52 -3.184 -17.264 -14.615 1.00 0.00 C ATOM 827 O GLU A 52 -2.157 -17.935 -14.527 1.00 0.00 O ATOM 828 CB GLU A 52 -3.868 -15.761 -16.522 1.00 0.00 C ATOM 829 CG GLU A 52 -2.415 -15.305 -16.670 1.00 0.00 C ATOM 830 CD GLU A 52 -2.280 -14.254 -17.774 1.00 0.00 C ATOM 831 OE1 GLU A 52 -2.432 -13.059 -17.440 1.00 0.00 O ATOM 832 OE2 GLU A 52 -2.028 -14.668 -18.925 1.00 0.00 O ATOM 0 H GLU A 52 -6.015 -16.870 -15.958 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.468 -17.850 -16.654 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.361 -15.737 -17.494 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.406 -15.069 -15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.062 -14.892 -15.725 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.783 -16.162 -16.900 1.00 0.00 H new ATOM 839 N LEU A 53 -3.719 -16.577 -13.617 1.00 0.00 N ATOM 840 CA LEU A 53 -3.106 -16.570 -12.300 1.00 0.00 C ATOM 841 C LEU A 53 -2.970 -18.008 -11.798 1.00 0.00 C ATOM 842 O LEU A 53 -1.889 -18.425 -11.383 1.00 0.00 O ATOM 843 CB LEU A 53 -3.886 -15.658 -11.350 1.00 0.00 C ATOM 844 CG LEU A 53 -4.030 -14.199 -11.788 1.00 0.00 C ATOM 845 CD1 LEU A 53 -5.323 -13.588 -11.244 1.00 0.00 C ATOM 846 CD2 LEU A 53 -2.799 -13.383 -11.390 1.00 0.00 C ATOM 0 H LEU A 53 -4.571 -16.021 -13.694 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.100 -16.153 -12.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.883 -16.076 -11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.397 -15.678 -10.376 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.095 -14.174 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.401 -12.551 -11.570 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.178 -14.151 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.313 -13.626 -10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.927 -12.350 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.678 -13.412 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.914 -13.805 -11.866 1.00 0.00 H new ATOM 858 N ASP A 54 -4.081 -18.728 -11.851 1.00 0.00 N ATOM 859 CA ASP A 54 -4.099 -20.111 -11.407 1.00 0.00 C ATOM 860 C ASP A 54 -3.348 -20.977 -12.420 1.00 0.00 C ATOM 861 O ASP A 54 -3.880 -21.302 -13.480 1.00 0.00 O ATOM 862 CB ASP A 54 -5.532 -20.638 -11.305 1.00 0.00 C ATOM 863 CG ASP A 54 -5.715 -21.837 -10.373 1.00 0.00 C ATOM 864 OD1 ASP A 54 -4.704 -22.533 -10.138 1.00 0.00 O ATOM 865 OD2 ASP A 54 -6.862 -22.031 -9.917 1.00 0.00 O ATOM 0 H ASP A 54 -4.976 -18.379 -12.195 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.627 -20.156 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.177 -19.829 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.872 -20.917 -12.302 1.00 0.00 H new ATOM 870 N LYS A 55 -2.122 -21.327 -12.057 1.00 0.00 N ATOM 871 CA LYS A 55 -1.293 -22.150 -12.921 1.00 0.00 C ATOM 872 C LYS A 55 -0.929 -23.444 -12.190 1.00 0.00 C ATOM 873 O LYS A 55 -0.243 -24.302 -12.744 1.00 0.00 O ATOM 874 CB LYS A 55 -0.078 -21.358 -13.410 1.00 0.00 C ATOM 875 CG LYS A 55 0.785 -20.896 -12.234 1.00 0.00 C ATOM 876 CD LYS A 55 2.214 -21.428 -12.361 1.00 0.00 C ATOM 877 CE LYS A 55 2.911 -21.457 -10.999 1.00 0.00 C ATOM 878 NZ LYS A 55 3.723 -22.687 -10.859 1.00 0.00 N ATOM 0 H LYS A 55 -1.684 -21.056 -11.177 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.843 -22.434 -13.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.517 -21.976 -14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.410 -20.493 -13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.801 -19.807 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.346 -21.242 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.196 -22.432 -12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.780 -20.801 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.548 -20.579 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.168 -21.412 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.189 -22.691 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.107 -23.521 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.444 -22.714 -11.608 1.00 0.00 H new ATOM 892 N ASN A 56 -1.405 -23.544 -10.958 1.00 0.00 N ATOM 893 CA ASN A 56 -1.139 -24.719 -10.146 1.00 0.00 C ATOM 894 C ASN A 56 -2.293 -25.712 -10.300 1.00 0.00 C ATOM 895 O ASN A 56 -2.393 -26.676 -9.542 1.00 0.00 O ATOM 896 CB ASN A 56 -1.026 -24.351 -8.665 1.00 0.00 C ATOM 897 CG ASN A 56 0.100 -23.341 -8.435 1.00 0.00 C ATOM 898 OD1 ASN A 56 -0.108 -22.140 -8.392 1.00 0.00 O ATOM 899 ND2 ASN A 56 1.301 -23.894 -8.291 1.00 0.00 N ATOM 0 H ASN A 56 -1.974 -22.830 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.198 -25.155 -10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.971 -23.933 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.839 -25.249 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.118 -23.304 -8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.405 -24.908 -8.338 1.00 0.00 H new ATOM 906 N GLY A 57 -3.136 -25.442 -11.286 1.00 0.00 N ATOM 907 CA GLY A 57 -4.279 -26.300 -11.549 1.00 0.00 C ATOM 908 C GLY A 57 -4.881 -26.827 -10.244 1.00 0.00 C ATOM 909 O GLY A 57 -4.871 -28.031 -9.993 1.00 0.00 O ATOM 0 H GLY A 57 -3.050 -24.641 -11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.035 -25.745 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.973 -27.137 -12.177 1.00 0.00 H new ATOM 913 N ASP A 58 -5.391 -25.898 -9.448 1.00 0.00 N ATOM 914 CA ASP A 58 -5.996 -26.253 -8.176 1.00 0.00 C ATOM 915 C ASP A 58 -7.322 -25.506 -8.020 1.00 0.00 C ATOM 916 O ASP A 58 -8.370 -26.124 -7.836 1.00 0.00 O ATOM 917 CB ASP A 58 -5.092 -25.859 -7.007 1.00 0.00 C ATOM 918 CG ASP A 58 -4.254 -24.599 -7.233 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.670 -23.787 -8.087 1.00 0.00 O ATOM 920 OD2 ASP A 58 -3.217 -24.476 -6.546 1.00 0.00 O ATOM 0 H ASP A 58 -5.397 -24.900 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.149 -27.332 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.711 -25.711 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.420 -26.690 -6.791 1.00 0.00 H new ATOM 925 N GLY A 59 -7.234 -24.187 -8.101 1.00 0.00 N ATOM 926 CA GLY A 59 -8.414 -23.348 -7.972 1.00 0.00 C ATOM 927 C GLY A 59 -8.172 -22.211 -6.978 1.00 0.00 C ATOM 928 O GLY A 59 -9.029 -21.347 -6.797 1.00 0.00 O ATOM 0 H GLY A 59 -6.364 -23.678 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.679 -22.935 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.259 -23.951 -7.641 1.00 0.00 H new ATOM 932 N GLU A 60 -7.002 -22.248 -6.358 1.00 0.00 N ATOM 933 CA GLU A 60 -6.637 -21.231 -5.387 1.00 0.00 C ATOM 934 C GLU A 60 -5.499 -20.363 -5.929 1.00 0.00 C ATOM 935 O GLU A 60 -4.507 -20.881 -6.439 1.00 0.00 O ATOM 936 CB GLU A 60 -6.252 -21.865 -4.048 1.00 0.00 C ATOM 937 CG GLU A 60 -5.004 -22.738 -4.193 1.00 0.00 C ATOM 938 CD GLU A 60 -5.151 -24.040 -3.402 1.00 0.00 C ATOM 939 OE1 GLU A 60 -4.878 -23.996 -2.183 1.00 0.00 O ATOM 940 OE2 GLU A 60 -5.534 -25.048 -4.034 1.00 0.00 O ATOM 0 H GLU A 60 -6.294 -22.967 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.504 -20.593 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.070 -21.083 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.080 -22.468 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.835 -22.965 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.130 -22.191 -3.840 1.00 0.00 H new ATOM 947 N VAL A 61 -5.682 -19.057 -5.801 1.00 0.00 N ATOM 948 CA VAL A 61 -4.684 -18.112 -6.272 1.00 0.00 C ATOM 949 C VAL A 61 -3.882 -17.586 -5.079 1.00 0.00 C ATOM 950 O VAL A 61 -3.755 -16.377 -4.897 1.00 0.00 O ATOM 951 CB VAL A 61 -5.356 -16.999 -7.078 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.378 -15.855 -7.355 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.946 -17.544 -8.380 1.00 0.00 C ATOM 0 H VAL A 61 -6.507 -18.631 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.981 -18.603 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.176 -16.601 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.881 -15.077 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.027 -15.439 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.528 -16.233 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.418 -16.732 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.151 -17.982 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.690 -18.307 -8.151 1.00 0.00 H new ATOM 963 N SER A 62 -3.363 -18.522 -4.297 1.00 0.00 N ATOM 964 CA SER A 62 -2.578 -18.168 -3.127 1.00 0.00 C ATOM 965 C SER A 62 -1.615 -17.029 -3.468 1.00 0.00 C ATOM 966 O SER A 62 -1.394 -16.728 -4.640 1.00 0.00 O ATOM 967 CB SER A 62 -1.804 -19.376 -2.597 1.00 0.00 C ATOM 968 OG SER A 62 -2.103 -20.564 -3.326 1.00 0.00 O ATOM 0 H SER A 62 -3.471 -19.524 -4.451 1.00 0.00 H new ATOM 0 HA SER A 62 -3.261 -17.836 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.734 -19.175 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.044 -19.527 -1.544 1.00 0.00 H new ATOM 0 HG SER A 62 -1.283 -20.912 -3.735 1.00 0.00 H new ATOM 974 N PHE A 63 -1.069 -16.426 -2.422 1.00 0.00 N ATOM 975 CA PHE A 63 -0.135 -15.326 -2.596 1.00 0.00 C ATOM 976 C PHE A 63 0.951 -15.685 -3.612 1.00 0.00 C ATOM 977 O PHE A 63 1.436 -14.819 -4.340 1.00 0.00 O ATOM 978 CB PHE A 63 0.518 -15.075 -1.236 1.00 0.00 C ATOM 979 CG PHE A 63 1.372 -13.806 -1.180 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.868 -12.627 -1.635 1.00 0.00 C ATOM 981 CD2 PHE A 63 2.634 -13.857 -0.676 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.660 -11.450 -1.583 1.00 0.00 C ATOM 983 CE2 PHE A 63 3.426 -12.680 -0.625 1.00 0.00 C ATOM 984 CZ PHE A 63 2.923 -11.501 -1.079 1.00 0.00 C ATOM 0 H PHE A 63 -1.255 -16.678 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.661 -14.445 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.261 -15.010 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.141 -15.932 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.134 -12.587 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.034 -14.793 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.260 -10.514 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.429 -12.721 -0.225 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.526 -10.606 -1.040 1.00 0.00 H new ATOM 994 N GLU A 64 1.302 -16.962 -3.629 1.00 0.00 N ATOM 995 CA GLU A 64 2.322 -17.446 -4.544 1.00 0.00 C ATOM 996 C GLU A 64 2.010 -16.998 -5.973 1.00 0.00 C ATOM 997 O GLU A 64 2.844 -16.377 -6.629 1.00 0.00 O ATOM 998 CB GLU A 64 2.453 -18.968 -4.463 1.00 0.00 C ATOM 999 CG GLU A 64 1.092 -19.624 -4.225 1.00 0.00 C ATOM 1000 CD GLU A 64 0.861 -20.779 -5.203 1.00 0.00 C ATOM 1001 OE1 GLU A 64 1.451 -20.717 -6.303 1.00 0.00 O ATOM 1002 OE2 GLU A 64 0.101 -21.697 -4.828 1.00 0.00 O ATOM 0 H GLU A 64 0.898 -17.677 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 64 3.279 -17.015 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.887 -19.349 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.135 -19.235 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.036 -19.993 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.302 -18.882 -4.340 1.00 0.00 H new ATOM 1009 N GLU A 65 0.805 -17.330 -6.413 1.00 0.00 N ATOM 1010 CA GLU A 65 0.372 -16.969 -7.752 1.00 0.00 C ATOM 1011 C GLU A 65 0.229 -15.451 -7.873 1.00 0.00 C ATOM 1012 O GLU A 65 0.397 -14.892 -8.956 1.00 0.00 O ATOM 1013 CB GLU A 65 -0.938 -17.673 -8.113 1.00 0.00 C ATOM 1014 CG GLU A 65 -0.775 -19.194 -8.065 1.00 0.00 C ATOM 1015 CD GLU A 65 -1.992 -19.855 -7.417 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -2.936 -20.172 -8.173 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -1.953 -20.029 -6.179 1.00 0.00 O ATOM 0 H GLU A 65 0.115 -17.845 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 65 1.132 -17.300 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.723 -17.366 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.255 -17.369 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.641 -19.581 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.124 -19.450 -7.504 1.00 0.00 H new ATOM 1024 N PHE A 66 -0.079 -14.826 -6.746 1.00 0.00 N ATOM 1025 CA PHE A 66 -0.246 -13.383 -6.712 1.00 0.00 C ATOM 1026 C PHE A 66 1.027 -12.672 -7.177 1.00 0.00 C ATOM 1027 O PHE A 66 0.958 -11.649 -7.856 1.00 0.00 O ATOM 1028 CB PHE A 66 -0.527 -12.999 -5.258 1.00 0.00 C ATOM 1029 CG PHE A 66 -1.263 -11.667 -5.097 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -2.525 -11.524 -5.584 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -0.655 -10.627 -4.467 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -3.208 -10.288 -5.435 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -1.338 -9.391 -4.317 1.00 0.00 C ATOM 1034 CZ PHE A 66 -2.600 -9.247 -4.805 1.00 0.00 C ATOM 0 H PHE A 66 -0.217 -15.293 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.059 -13.087 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.118 -13.788 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.418 -12.948 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.008 -12.351 -6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.347 -10.741 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.210 -10.175 -5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.856 -8.565 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.119 -8.306 -4.692 1.00 0.00 H new ATOM 1044 N GLN A 67 2.159 -13.244 -6.793 1.00 0.00 N ATOM 1045 CA GLN A 67 3.446 -12.678 -7.162 1.00 0.00 C ATOM 1046 C GLN A 67 3.590 -12.635 -8.685 1.00 0.00 C ATOM 1047 O GLN A 67 4.473 -11.959 -9.210 1.00 0.00 O ATOM 1048 CB GLN A 67 4.593 -13.464 -6.525 1.00 0.00 C ATOM 1049 CG GLN A 67 4.449 -13.507 -5.002 1.00 0.00 C ATOM 1050 CD GLN A 67 5.819 -13.547 -4.322 1.00 0.00 C ATOM 1051 OE1 GLN A 67 6.777 -14.105 -4.831 1.00 0.00 O ATOM 1052 NE2 GLN A 67 5.858 -12.925 -3.147 1.00 0.00 N ATOM 0 H GLN A 67 2.212 -14.093 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 67 3.494 -11.657 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.607 -14.479 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 67 5.545 -13.005 -6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.895 -12.632 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.870 -14.384 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.019 -12.478 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.727 -12.895 -2.614 1.00 0.00 H new ATOM 1061 N VAL A 68 2.708 -13.366 -9.351 1.00 0.00 N ATOM 1062 CA VAL A 68 2.726 -13.420 -10.803 1.00 0.00 C ATOM 1063 C VAL A 68 2.099 -12.142 -11.365 1.00 0.00 C ATOM 1064 O VAL A 68 2.567 -11.605 -12.368 1.00 0.00 O ATOM 1065 CB VAL A 68 2.027 -14.691 -11.288 1.00 0.00 C ATOM 1066 CG1 VAL A 68 2.163 -14.848 -12.804 1.00 0.00 C ATOM 1067 CG2 VAL A 68 2.564 -15.924 -10.559 1.00 0.00 C ATOM 0 H VAL A 68 1.977 -13.925 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 68 3.751 -13.468 -11.170 1.00 0.00 H new ATOM 0 HB VAL A 68 0.966 -14.599 -11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.657 -15.760 -13.122 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.711 -13.990 -13.301 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.218 -14.907 -13.070 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.050 -16.814 -10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.633 -16.020 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.391 -15.817 -9.488 1.00 0.00 H new ATOM 1077 N LEU A 69 1.049 -11.691 -10.693 1.00 0.00 N ATOM 1078 CA LEU A 69 0.353 -10.486 -11.112 1.00 0.00 C ATOM 1079 C LEU A 69 1.188 -9.262 -10.731 1.00 0.00 C ATOM 1080 O LEU A 69 1.145 -8.240 -11.414 1.00 0.00 O ATOM 1081 CB LEU A 69 -1.067 -10.463 -10.545 1.00 0.00 C ATOM 1082 CG LEU A 69 -2.092 -9.646 -11.335 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -2.001 -9.952 -12.831 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -3.505 -9.864 -10.790 1.00 0.00 C ATOM 0 H LEU A 69 0.664 -12.139 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 69 0.238 -10.469 -12.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.426 -11.490 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.025 -10.071 -9.529 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.858 -8.589 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.740 -9.358 -13.369 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.003 -9.704 -13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.195 -11.011 -12.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.214 -9.272 -11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.766 -10.920 -10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.544 -9.556 -9.745 1.00 0.00 H new ATOM 1096 N VAL A 70 1.927 -9.406 -9.641 1.00 0.00 N ATOM 1097 CA VAL A 70 2.770 -8.324 -9.160 1.00 0.00 C ATOM 1098 C VAL A 70 3.643 -7.815 -10.309 1.00 0.00 C ATOM 1099 O VAL A 70 4.116 -6.680 -10.277 1.00 0.00 O ATOM 1100 CB VAL A 70 3.584 -8.792 -7.952 1.00 0.00 C ATOM 1101 CG1 VAL A 70 4.894 -8.010 -7.838 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.766 -8.683 -6.664 1.00 0.00 C ATOM 0 H VAL A 70 1.960 -10.255 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 70 2.161 -7.487 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 70 3.833 -9.843 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.454 -8.362 -6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.488 -8.161 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.675 -6.949 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.368 -9.022 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.472 -7.645 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.874 -9.304 -6.746 1.00 0.00 H new ATOM 1112 N LYS A 71 3.830 -8.679 -11.296 1.00 0.00 N ATOM 1113 CA LYS A 71 4.637 -8.330 -12.452 1.00 0.00 C ATOM 1114 C LYS A 71 3.903 -7.276 -13.283 1.00 0.00 C ATOM 1115 O LYS A 71 4.484 -6.258 -13.655 1.00 0.00 O ATOM 1116 CB LYS A 71 5.010 -9.586 -13.243 1.00 0.00 C ATOM 1117 CG LYS A 71 6.498 -9.588 -13.599 1.00 0.00 C ATOM 1118 CD LYS A 71 6.925 -10.945 -14.163 1.00 0.00 C ATOM 1119 CE LYS A 71 7.031 -11.992 -13.053 1.00 0.00 C ATOM 1120 NZ LYS A 71 8.234 -11.750 -12.225 1.00 0.00 N ATOM 0 H LYS A 71 3.436 -9.620 -11.319 1.00 0.00 H new ATOM 0 HA LYS A 71 5.581 -7.886 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.771 -10.473 -12.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.414 -9.636 -14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.702 -8.806 -14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.088 -9.357 -12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.204 -11.275 -14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.886 -10.847 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.139 -11.959 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.077 -12.990 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.444 -12.599 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.043 -11.535 -12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.061 -10.946 -11.588 1.00 0.00 H new ATOM 1134 N LYS A 72 2.636 -7.557 -13.551 1.00 0.00 N ATOM 1135 CA LYS A 72 1.816 -6.645 -14.331 1.00 0.00 C ATOM 1136 C LYS A 72 1.541 -5.384 -13.510 1.00 0.00 C ATOM 1137 O LYS A 72 1.396 -4.296 -14.066 1.00 0.00 O ATOM 1138 CB LYS A 72 0.549 -7.349 -14.819 1.00 0.00 C ATOM 1139 CG LYS A 72 0.893 -8.520 -15.742 1.00 0.00 C ATOM 1140 CD LYS A 72 1.185 -9.787 -14.936 1.00 0.00 C ATOM 1141 CE LYS A 72 0.893 -11.042 -15.761 1.00 0.00 C ATOM 1142 NZ LYS A 72 -0.562 -11.311 -15.798 1.00 0.00 N ATOM 0 H LYS A 72 2.157 -8.403 -13.242 1.00 0.00 H new ATOM 0 HA LYS A 72 2.346 -6.331 -15.230 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.022 -7.711 -13.964 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.085 -6.638 -15.349 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.065 -8.703 -16.427 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.760 -8.265 -16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.228 -9.789 -14.621 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.579 -9.794 -14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.271 -10.914 -16.775 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.416 -11.897 -15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.780 -11.930 -16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.851 -11.778 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.078 -10.414 -15.901 1.00 0.00 H new ATOM 1156 N ILE A 73 1.478 -5.571 -12.199 1.00 0.00 N ATOM 1157 CA ILE A 73 1.222 -4.462 -11.296 1.00 0.00 C ATOM 1158 C ILE A 73 2.486 -3.607 -11.176 1.00 0.00 C ATOM 1159 O ILE A 73 2.444 -2.504 -10.634 1.00 0.00 O ATOM 1160 CB ILE A 73 0.696 -4.974 -9.954 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -0.767 -5.407 -10.068 1.00 0.00 C ATOM 1162 CG2 ILE A 73 0.901 -3.933 -8.852 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -1.088 -6.521 -9.069 1.00 0.00 C ATOM 0 H ILE A 73 1.600 -6.474 -11.741 1.00 0.00 H new ATOM 0 HA ILE A 73 0.437 -3.819 -11.694 1.00 0.00 H new ATOM 0 HB ILE A 73 1.272 -5.856 -9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.418 -4.552 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.970 -5.753 -11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.518 -4.322 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.964 -3.715 -8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.367 -3.019 -9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.134 -6.811 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.452 -7.383 -9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.907 -6.164 -8.055 1.00 0.00 H new ATOM 1175 N SER A 74 3.580 -4.149 -11.691 1.00 0.00 N ATOM 1176 CA SER A 74 4.853 -3.450 -11.647 1.00 0.00 C ATOM 1177 C SER A 74 5.019 -2.588 -12.900 1.00 0.00 C ATOM 1178 O SER A 74 5.465 -1.445 -12.817 1.00 0.00 O ATOM 1179 CB SER A 74 6.018 -4.434 -11.522 1.00 0.00 C ATOM 1180 OG SER A 74 6.418 -4.618 -10.167 1.00 0.00 O ATOM 0 H SER A 74 3.611 -5.064 -12.141 1.00 0.00 H new ATOM 0 HA SER A 74 4.860 -2.807 -10.767 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.729 -5.395 -11.948 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.865 -4.069 -12.104 1.00 0.00 H new ATOM 0 HG SER A 74 5.843 -5.290 -9.745 1.00 0.00 H new ATOM 1186 N GLN A 75 4.651 -3.169 -14.033 1.00 0.00 N ATOM 1187 CA GLN A 75 4.754 -2.468 -15.301 1.00 0.00 C ATOM 1188 C GLN A 75 3.720 -1.343 -15.371 1.00 0.00 C ATOM 1189 O GLN A 75 2.657 -1.432 -14.758 1.00 0.00 O ATOM 1190 CB GLN A 75 4.593 -3.435 -16.477 1.00 0.00 C ATOM 1191 CG GLN A 75 5.799 -3.361 -17.416 1.00 0.00 C ATOM 1192 CD GLN A 75 6.870 -4.378 -17.014 1.00 0.00 C ATOM 1193 OE1 GLN A 75 8.009 -4.041 -16.737 1.00 0.00 O ATOM 1194 NE2 GLN A 75 6.441 -5.637 -16.998 1.00 0.00 N ATOM 0 H GLN A 75 4.281 -4.117 -14.099 1.00 0.00 H new ATOM 0 HA GLN A 75 5.748 -2.026 -15.370 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.481 -4.453 -16.103 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.683 -3.195 -17.028 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.479 -3.550 -18.441 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.220 -2.356 -17.394 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.473 -5.849 -17.241 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.080 -6.390 -16.743 1.00 0.00 H new