USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 GLN : amide:sc= 0.0719 X(o=0.13,f=0.55) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0.0618 USER MOD Set 2.1: A 12 THR OG1 : rot 160:sc= 0.645 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.717 K(o=1.4,f=0) USER MOD Single : A 9 SER OG : rot 89:sc= 1.24 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00889 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0217 USER MOD ----------------------------------------------------------------- ATOM 82 N GLU A 6 9.029 -20.560 -7.498 1.00 0.00 N ATOM 83 CA GLU A 6 10.256 -20.620 -6.702 1.00 0.00 C ATOM 84 C GLU A 6 11.128 -19.423 -7.075 1.00 0.00 C ATOM 85 O GLU A 6 11.050 -18.907 -8.188 1.00 0.00 O ATOM 86 CB GLU A 6 10.977 -21.950 -6.973 1.00 0.00 C ATOM 87 CG GLU A 6 12.158 -22.216 -6.025 1.00 0.00 C ATOM 88 CD GLU A 6 12.753 -23.630 -6.215 1.00 0.00 C ATOM 89 OE1 GLU A 6 13.607 -23.791 -7.111 1.00 0.00 O ATOM 90 OE2 GLU A 6 12.353 -24.541 -5.457 1.00 0.00 O ATOM 0 HA GLU A 6 10.033 -20.575 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.260 -22.766 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.339 -21.954 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.935 -21.471 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.827 -22.099 -4.993 1.00 0.00 H new ATOM 97 N VAL A 7 11.895 -18.931 -6.112 1.00 0.00 N ATOM 98 CA VAL A 7 12.836 -17.822 -6.268 1.00 0.00 C ATOM 99 C VAL A 7 13.724 -18.011 -7.492 1.00 0.00 C ATOM 100 O VAL A 7 14.233 -19.090 -7.764 1.00 0.00 O ATOM 101 CB VAL A 7 13.622 -17.628 -4.952 1.00 0.00 C ATOM 102 CG1 VAL A 7 12.637 -17.344 -3.806 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.481 -18.829 -4.550 1.00 0.00 C ATOM 0 H VAL A 7 11.881 -19.305 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 7 12.289 -16.898 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 7 14.299 -16.793 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.190 -17.207 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.071 -16.439 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.951 -18.184 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.999 -18.610 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.844 -19.703 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.213 -19.031 -5.332 1.00 0.00 H new ATOM 113 N GLY A 8 13.895 -16.924 -8.239 1.00 0.00 N ATOM 114 CA GLY A 8 14.735 -16.878 -9.424 1.00 0.00 C ATOM 115 C GLY A 8 14.033 -17.371 -10.694 1.00 0.00 C ATOM 116 O GLY A 8 14.583 -17.166 -11.778 1.00 0.00 O ATOM 0 H GLY A 8 13.443 -16.034 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.073 -15.853 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.625 -17.484 -9.252 1.00 0.00 H new ATOM 120 N SER A 9 12.839 -17.959 -10.592 1.00 0.00 N ATOM 121 CA SER A 9 12.010 -18.263 -11.756 1.00 0.00 C ATOM 122 C SER A 9 11.553 -16.970 -12.436 1.00 0.00 C ATOM 123 O SER A 9 11.635 -15.887 -11.855 1.00 0.00 O ATOM 124 CB SER A 9 10.807 -19.121 -11.351 1.00 0.00 C ATOM 125 OG SER A 9 11.188 -20.222 -10.558 1.00 0.00 O ATOM 0 H SER A 9 12.423 -18.236 -9.703 1.00 0.00 H new ATOM 0 HA SER A 9 12.607 -18.832 -12.469 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.093 -18.508 -10.801 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.298 -19.478 -12.246 1.00 0.00 H new ATOM 0 HG SER A 9 11.191 -19.960 -9.614 1.00 0.00 H new ATOM 131 N VAL A 10 11.018 -17.079 -13.648 1.00 0.00 N ATOM 132 CA VAL A 10 10.549 -15.946 -14.445 1.00 0.00 C ATOM 133 C VAL A 10 9.259 -16.404 -15.114 1.00 0.00 C ATOM 134 O VAL A 10 9.226 -17.470 -15.721 1.00 0.00 O ATOM 135 CB VAL A 10 11.624 -15.513 -15.473 1.00 0.00 C ATOM 136 CG1 VAL A 10 11.159 -14.305 -16.298 1.00 0.00 C ATOM 137 CG2 VAL A 10 12.959 -15.134 -14.817 1.00 0.00 C ATOM 0 H VAL A 10 10.895 -17.977 -14.116 1.00 0.00 H new ATOM 0 HA VAL A 10 10.363 -15.066 -13.829 1.00 0.00 H new ATOM 0 HB VAL A 10 11.771 -16.384 -16.112 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.938 -14.028 -17.009 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.249 -14.563 -16.839 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.960 -13.465 -15.633 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.672 -14.840 -15.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.803 -14.303 -14.129 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.351 -15.990 -14.268 1.00 0.00 H new ATOM 147 N TYR A 11 8.201 -15.617 -14.963 1.00 0.00 N ATOM 148 CA TYR A 11 6.880 -15.905 -15.509 1.00 0.00 C ATOM 149 C TYR A 11 6.228 -14.611 -15.994 1.00 0.00 C ATOM 150 O TYR A 11 6.733 -13.519 -15.735 1.00 0.00 O ATOM 151 CB TYR A 11 6.022 -16.585 -14.439 1.00 0.00 C ATOM 152 CG TYR A 11 6.364 -18.046 -14.182 1.00 0.00 C ATOM 153 CD1 TYR A 11 5.775 -19.051 -14.976 1.00 0.00 C ATOM 154 CD2 TYR A 11 7.249 -18.402 -13.141 1.00 0.00 C ATOM 155 CE1 TYR A 11 6.054 -20.410 -14.725 1.00 0.00 C ATOM 156 CE2 TYR A 11 7.516 -19.759 -12.870 1.00 0.00 C ATOM 157 CZ TYR A 11 6.920 -20.766 -13.664 1.00 0.00 C ATOM 158 OH TYR A 11 7.191 -22.073 -13.406 1.00 0.00 O ATOM 0 H TYR A 11 8.238 -14.739 -14.445 1.00 0.00 H new ATOM 0 HA TYR A 11 6.971 -16.580 -16.360 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.125 -16.032 -13.505 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.975 -16.518 -14.735 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.107 -18.779 -15.780 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.723 -17.632 -12.550 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.608 -21.177 -15.341 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.174 -20.029 -12.058 1.00 0.00 H new ATOM 0 HH TYR A 11 7.805 -22.136 -12.644 1.00 0.00 H new ATOM 168 N THR A 12 5.109 -14.728 -16.696 1.00 0.00 N ATOM 169 CA THR A 12 4.371 -13.589 -17.236 1.00 0.00 C ATOM 170 C THR A 12 3.003 -13.547 -16.557 1.00 0.00 C ATOM 171 O THR A 12 2.437 -14.583 -16.224 1.00 0.00 O ATOM 172 CB THR A 12 4.308 -13.708 -18.769 1.00 0.00 C ATOM 173 OG1 THR A 12 5.598 -14.022 -19.291 1.00 0.00 O ATOM 174 CG2 THR A 12 3.858 -12.416 -19.446 1.00 0.00 C ATOM 0 H THR A 12 4.681 -15.628 -16.911 1.00 0.00 H new ATOM 0 HA THR A 12 4.864 -12.640 -17.028 1.00 0.00 H new ATOM 0 HB THR A 12 3.582 -14.494 -18.978 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.504 -14.405 -20.188 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.833 -12.561 -20.526 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.862 -12.148 -19.093 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.557 -11.616 -19.204 1.00 0.00 H new ATOM 182 N GLY A 13 2.503 -12.345 -16.311 1.00 0.00 N ATOM 183 CA GLY A 13 1.282 -12.104 -15.561 1.00 0.00 C ATOM 184 C GLY A 13 0.680 -10.765 -15.948 1.00 0.00 C ATOM 185 O GLY A 13 1.160 -10.109 -16.873 1.00 0.00 O ATOM 0 H GLY A 13 2.949 -11.488 -16.637 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.565 -12.902 -15.754 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.495 -12.119 -14.492 1.00 0.00 H new ATOM 189 N LYS A 14 -0.386 -10.356 -15.263 1.00 0.00 N ATOM 190 CA LYS A 14 -1.086 -9.102 -15.533 1.00 0.00 C ATOM 191 C LYS A 14 -1.203 -8.291 -14.260 1.00 0.00 C ATOM 192 O LYS A 14 -1.457 -8.834 -13.191 1.00 0.00 O ATOM 193 CB LYS A 14 -2.458 -9.362 -16.169 1.00 0.00 C ATOM 194 CG LYS A 14 -2.317 -9.637 -17.671 1.00 0.00 C ATOM 195 CD LYS A 14 -3.679 -9.875 -18.338 1.00 0.00 C ATOM 196 CE LYS A 14 -3.487 -10.159 -19.830 1.00 0.00 C ATOM 197 NZ LYS A 14 -4.770 -10.414 -20.518 1.00 0.00 N ATOM 0 H LYS A 14 -0.792 -10.892 -14.496 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.507 -8.523 -16.252 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.935 -10.213 -15.682 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.106 -8.500 -16.012 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.820 -8.793 -18.150 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.681 -10.509 -17.823 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.185 -10.715 -17.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.317 -9.001 -18.205 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.987 -9.311 -20.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.833 -11.022 -19.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.592 -10.601 -21.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.236 -11.239 -20.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.386 -9.581 -20.424 1.00 0.00 H new ATOM 211 N VAL A 15 -0.956 -7.001 -14.387 1.00 0.00 N ATOM 212 CA VAL A 15 -0.863 -6.082 -13.267 1.00 0.00 C ATOM 213 C VAL A 15 -2.271 -5.847 -12.745 1.00 0.00 C ATOM 214 O VAL A 15 -3.142 -5.400 -13.492 1.00 0.00 O ATOM 215 CB VAL A 15 -0.178 -4.776 -13.710 1.00 0.00 C ATOM 216 CG1 VAL A 15 0.194 -3.938 -12.480 1.00 0.00 C ATOM 217 CG2 VAL A 15 1.089 -5.019 -14.532 1.00 0.00 C ATOM 0 H VAL A 15 -0.811 -6.552 -15.292 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.252 -6.496 -12.465 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.894 -4.249 -14.341 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.678 -3.016 -12.801 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.708 -3.698 -11.917 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.877 -4.505 -11.847 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.528 -4.062 -14.816 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.806 -5.585 -13.937 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.837 -5.583 -15.430 1.00 0.00 H new ATOM 227 N THR A 16 -2.473 -6.104 -11.462 1.00 0.00 N ATOM 228 CA THR A 16 -3.777 -6.084 -10.799 1.00 0.00 C ATOM 229 C THR A 16 -3.936 -4.893 -9.856 1.00 0.00 C ATOM 230 O THR A 16 -5.053 -4.601 -9.442 1.00 0.00 O ATOM 231 CB THR A 16 -4.006 -7.438 -10.096 1.00 0.00 C ATOM 232 OG1 THR A 16 -2.792 -7.950 -9.564 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.556 -8.460 -11.095 1.00 0.00 C ATOM 0 H THR A 16 -1.710 -6.341 -10.828 1.00 0.00 H new ATOM 0 HA THR A 16 -4.553 -5.948 -11.552 1.00 0.00 H new ATOM 0 HB THR A 16 -4.717 -7.272 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.964 -8.808 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.715 -9.413 -10.590 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.503 -8.101 -11.499 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.843 -8.594 -11.908 1.00 0.00 H new ATOM 241 N GLY A 17 -2.874 -4.135 -9.576 1.00 0.00 N ATOM 242 CA GLY A 17 -2.978 -2.864 -8.876 1.00 0.00 C ATOM 243 C GLY A 17 -1.632 -2.166 -8.816 1.00 0.00 C ATOM 244 O GLY A 17 -0.601 -2.790 -9.056 1.00 0.00 O ATOM 0 H GLY A 17 -1.920 -4.390 -9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.701 -2.224 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.351 -3.030 -7.865 1.00 0.00 H new ATOM 248 N LEU A 18 -1.653 -0.879 -8.481 1.00 0.00 N ATOM 249 CA LEU A 18 -0.471 -0.092 -8.147 1.00 0.00 C ATOM 250 C LEU A 18 -0.666 0.484 -6.747 1.00 0.00 C ATOM 251 O LEU A 18 -1.788 0.647 -6.271 1.00 0.00 O ATOM 252 CB LEU A 18 -0.247 1.057 -9.140 1.00 0.00 C ATOM 253 CG LEU A 18 0.098 0.671 -10.593 1.00 0.00 C ATOM 254 CD1 LEU A 18 0.431 1.927 -11.399 1.00 0.00 C ATOM 255 CD2 LEU A 18 1.284 -0.283 -10.710 1.00 0.00 C ATOM 0 H LEU A 18 -2.518 -0.340 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 18 0.404 -0.740 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.148 1.670 -9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.558 1.684 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.784 0.160 -10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.674 1.648 -12.424 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.428 2.598 -11.399 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.285 2.432 -10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.467 -0.509 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.170 0.184 -10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.063 -1.206 -10.173 1.00 0.00 H new ATOM 267 N GLN A 19 0.441 0.817 -6.106 1.00 0.00 N ATOM 268 CA GLN A 19 0.527 1.316 -4.741 1.00 0.00 C ATOM 269 C GLN A 19 1.718 2.275 -4.678 1.00 0.00 C ATOM 270 O GLN A 19 2.607 2.212 -5.524 1.00 0.00 O ATOM 271 CB GLN A 19 0.790 0.177 -3.749 1.00 0.00 C ATOM 272 CG GLN A 19 -0.238 -0.968 -3.735 1.00 0.00 C ATOM 273 CD GLN A 19 0.122 -1.974 -2.648 1.00 0.00 C ATOM 274 OE1 GLN A 19 1.065 -2.736 -2.781 1.00 0.00 O ATOM 275 NE2 GLN A 19 -0.609 -1.978 -1.542 1.00 0.00 N ATOM 0 H GLN A 19 1.357 0.743 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.413 1.801 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.770 -0.247 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.842 0.602 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.237 -0.570 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.259 -1.461 -4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.394 -1.334 -1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.386 -2.625 -0.786 1.00 0.00 H new ATOM 284 N ALA A 20 1.801 3.089 -3.622 1.00 0.00 N ATOM 285 CA ALA A 20 2.942 3.977 -3.387 1.00 0.00 C ATOM 286 C ALA A 20 4.274 3.232 -3.193 1.00 0.00 C ATOM 287 O ALA A 20 5.321 3.868 -3.161 1.00 0.00 O ATOM 288 CB ALA A 20 2.641 4.863 -2.173 1.00 0.00 C ATOM 0 H ALA A 20 1.078 3.151 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 20 3.072 4.583 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.485 5.528 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.747 5.456 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.476 4.236 -1.297 1.00 0.00 H new ATOM 294 N TYR A 21 4.250 1.902 -3.047 1.00 0.00 N ATOM 295 CA TYR A 21 5.418 1.068 -2.747 1.00 0.00 C ATOM 296 C TYR A 21 5.501 -0.202 -3.594 1.00 0.00 C ATOM 297 O TYR A 21 6.394 -1.018 -3.365 1.00 0.00 O ATOM 298 CB TYR A 21 5.440 0.765 -1.243 1.00 0.00 C ATOM 299 CG TYR A 21 4.330 -0.151 -0.737 1.00 0.00 C ATOM 300 CD1 TYR A 21 3.071 0.382 -0.390 1.00 0.00 C ATOM 301 CD2 TYR A 21 4.566 -1.535 -0.601 1.00 0.00 C ATOM 302 CE1 TYR A 21 2.052 -0.464 0.089 1.00 0.00 C ATOM 303 CE2 TYR A 21 3.555 -2.388 -0.112 1.00 0.00 C ATOM 304 CZ TYR A 21 2.291 -1.853 0.234 1.00 0.00 C ATOM 305 OH TYR A 21 1.301 -2.661 0.712 1.00 0.00 O ATOM 0 H TYR A 21 3.390 1.361 -3.137 1.00 0.00 H new ATOM 0 HA TYR A 21 6.311 1.631 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.400 0.312 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.383 1.708 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.888 1.441 -0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.528 -1.944 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.087 -0.053 0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.744 -3.446 -0.002 1.00 0.00 H new ATOM 0 HH TYR A 21 1.623 -3.586 0.750 1.00 0.00 H new ATOM 315 N GLY A 22 4.650 -0.380 -4.609 1.00 0.00 N ATOM 316 CA GLY A 22 4.736 -1.563 -5.453 1.00 0.00 C ATOM 317 C GLY A 22 3.588 -1.703 -6.446 1.00 0.00 C ATOM 318 O GLY A 22 2.693 -0.861 -6.490 1.00 0.00 O ATOM 0 H GLY A 22 3.907 0.272 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.677 -1.536 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.763 -2.448 -4.818 1.00 0.00 H new ATOM 322 N ALA A 23 3.639 -2.753 -7.258 1.00 0.00 N ATOM 323 CA ALA A 23 2.662 -3.093 -8.291 1.00 0.00 C ATOM 324 C ALA A 23 2.298 -4.562 -8.132 1.00 0.00 C ATOM 325 O ALA A 23 3.179 -5.419 -8.185 1.00 0.00 O ATOM 326 CB ALA A 23 3.279 -2.828 -9.668 1.00 0.00 C ATOM 0 H ALA A 23 4.403 -3.427 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 23 1.761 -2.487 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.557 -3.079 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.548 -1.775 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.172 -3.441 -9.791 1.00 0.00 H new ATOM 332 N PHE A 24 1.029 -4.871 -7.881 1.00 0.00 N ATOM 333 CA PHE A 24 0.568 -6.250 -7.796 1.00 0.00 C ATOM 334 C PHE A 24 0.480 -6.822 -9.201 1.00 0.00 C ATOM 335 O PHE A 24 0.028 -6.132 -10.111 1.00 0.00 O ATOM 336 CB PHE A 24 -0.807 -6.312 -7.120 1.00 0.00 C ATOM 337 CG PHE A 24 -0.784 -6.156 -5.619 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.151 -7.128 -4.819 1.00 0.00 C ATOM 339 CD2 PHE A 24 -1.437 -5.061 -5.018 1.00 0.00 C ATOM 340 CE1 PHE A 24 -0.167 -7.002 -3.417 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.456 -4.941 -3.616 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.818 -5.908 -2.815 1.00 0.00 C ATOM 0 H PHE A 24 0.297 -4.177 -7.732 1.00 0.00 H new ATOM 0 HA PHE A 24 1.270 -6.833 -7.200 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.439 -5.531 -7.542 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.273 -7.266 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.346 -7.968 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.921 -4.316 -5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.320 -7.745 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.961 -4.106 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.828 -5.811 -1.739 1.00 0.00 H new ATOM 352 N VAL A 25 0.852 -8.087 -9.372 1.00 0.00 N ATOM 353 CA VAL A 25 0.775 -8.795 -10.642 1.00 0.00 C ATOM 354 C VAL A 25 0.227 -10.182 -10.356 1.00 0.00 C ATOM 355 O VAL A 25 0.851 -10.968 -9.635 1.00 0.00 O ATOM 356 CB VAL A 25 2.156 -8.836 -11.330 1.00 0.00 C ATOM 357 CG1 VAL A 25 2.021 -9.419 -12.740 1.00 0.00 C ATOM 358 CG2 VAL A 25 2.805 -7.451 -11.446 1.00 0.00 C ATOM 0 H VAL A 25 1.223 -8.659 -8.614 1.00 0.00 H new ATOM 0 HA VAL A 25 0.111 -8.282 -11.338 1.00 0.00 H new ATOM 0 HB VAL A 25 2.793 -9.461 -10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.000 -9.444 -13.219 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.621 -10.431 -12.678 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.346 -8.797 -13.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.773 -7.543 -11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.161 -6.795 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.942 -7.029 -10.450 1.00 0.00 H new ATOM 368 N ALA A 26 -0.978 -10.459 -10.845 1.00 0.00 N ATOM 369 CA ALA A 26 -1.543 -11.797 -10.850 1.00 0.00 C ATOM 370 C ALA A 26 -0.777 -12.645 -11.858 1.00 0.00 C ATOM 371 O ALA A 26 -0.408 -12.167 -12.929 1.00 0.00 O ATOM 372 CB ALA A 26 -3.038 -11.724 -11.156 1.00 0.00 C ATOM 0 H ALA A 26 -1.592 -9.753 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.444 -12.267 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.458 -12.730 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.536 -11.125 -10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.187 -11.266 -12.134 1.00 0.00 H new ATOM 378 N LEU A 27 -0.547 -13.905 -11.505 1.00 0.00 N ATOM 379 CA LEU A 27 0.375 -14.799 -12.208 1.00 0.00 C ATOM 380 C LEU A 27 -0.335 -16.052 -12.717 1.00 0.00 C ATOM 381 O LEU A 27 0.069 -16.640 -13.712 1.00 0.00 O ATOM 382 CB LEU A 27 1.480 -15.246 -11.243 1.00 0.00 C ATOM 383 CG LEU A 27 2.306 -14.115 -10.601 1.00 0.00 C ATOM 384 CD1 LEU A 27 3.280 -14.703 -9.573 1.00 0.00 C ATOM 385 CD2 LEU A 27 3.081 -13.294 -11.627 1.00 0.00 C ATOM 0 H LEU A 27 -1.004 -14.345 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 27 0.784 -14.251 -13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.025 -15.835 -10.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.160 -15.907 -11.780 1.00 0.00 H new ATOM 0 HG LEU A 27 1.600 -13.442 -10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.862 -13.899 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.719 -15.225 -8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.952 -15.404 -10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.644 -12.512 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.770 -13.943 -12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.384 -12.839 -12.330 1.00 0.00 H new ATOM 763 N LEU A 52 5.393 1.511 -14.334 1.00 0.00 N ATOM 764 CA LEU A 52 4.518 0.332 -14.355 1.00 0.00 C ATOM 765 C LEU A 52 3.091 0.854 -14.576 1.00 0.00 C ATOM 766 O LEU A 52 2.865 2.060 -14.538 1.00 0.00 O ATOM 767 CB LEU A 52 4.666 -0.429 -13.026 1.00 0.00 C ATOM 768 CG LEU A 52 4.863 -1.962 -13.118 1.00 0.00 C ATOM 769 CD1 LEU A 52 3.671 -2.664 -13.774 1.00 0.00 C ATOM 770 CD2 LEU A 52 6.133 -2.349 -13.861 1.00 0.00 C ATOM 0 HA LEU A 52 4.775 -0.369 -15.149 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.515 -0.009 -12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.779 -0.236 -12.423 1.00 0.00 H new ATOM 0 HG LEU A 52 4.949 -2.296 -12.084 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.858 -3.737 -13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.771 -2.475 -13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.534 -2.281 -14.785 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.218 -3.435 -13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.094 -1.957 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.998 -1.933 -13.345 1.00 0.00 H new ATOM 782 N SER A 53 2.125 -0.029 -14.807 1.00 0.00 N ATOM 783 CA SER A 53 0.753 0.341 -15.155 1.00 0.00 C ATOM 784 C SER A 53 -0.178 -0.826 -14.830 1.00 0.00 C ATOM 785 O SER A 53 0.099 -1.954 -15.219 1.00 0.00 O ATOM 786 CB SER A 53 0.677 0.661 -16.653 1.00 0.00 C ATOM 787 OG SER A 53 1.432 1.822 -16.957 1.00 0.00 O ATOM 0 H SER A 53 2.273 -1.037 -14.758 1.00 0.00 H new ATOM 0 HA SER A 53 0.450 1.218 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.052 -0.184 -17.230 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.362 0.810 -16.946 1.00 0.00 H new ATOM 0 HG SER A 53 1.373 2.009 -17.917 1.00 0.00 H new ATOM 793 N VAL A 54 -1.248 -0.578 -14.073 1.00 0.00 N ATOM 794 CA VAL A 54 -2.325 -1.554 -13.853 1.00 0.00 C ATOM 795 C VAL A 54 -3.030 -1.866 -15.169 1.00 0.00 C ATOM 796 O VAL A 54 -3.123 -1.020 -16.054 1.00 0.00 O ATOM 797 CB VAL A 54 -3.241 -1.056 -12.709 1.00 0.00 C ATOM 798 CG1 VAL A 54 -3.902 0.301 -13.002 1.00 0.00 C ATOM 799 CG2 VAL A 54 -4.312 -2.074 -12.333 1.00 0.00 C ATOM 0 H VAL A 54 -1.396 0.309 -13.591 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.930 -2.513 -13.517 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.570 -0.923 -11.861 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.530 0.590 -12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.131 1.056 -13.155 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.515 0.221 -13.900 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.926 -1.674 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.940 -2.279 -13.200 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.836 -2.998 -12.003 1.00 0.00 H new ATOM 809 N GLY A 55 -3.545 -3.090 -15.261 1.00 0.00 N ATOM 810 CA GLY A 55 -4.316 -3.546 -16.404 1.00 0.00 C ATOM 811 C GLY A 55 -3.436 -3.741 -17.639 1.00 0.00 C ATOM 812 O GLY A 55 -3.903 -3.516 -18.750 1.00 0.00 O ATOM 0 H GLY A 55 -3.435 -3.797 -14.534 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.811 -4.486 -16.158 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.100 -2.822 -16.626 1.00 0.00 H new ATOM 816 N ASP A 56 -2.188 -4.155 -17.443 1.00 0.00 N ATOM 817 CA ASP A 56 -1.249 -4.468 -18.527 1.00 0.00 C ATOM 818 C ASP A 56 -0.626 -5.833 -18.262 1.00 0.00 C ATOM 819 O ASP A 56 -0.728 -6.343 -17.143 1.00 0.00 O ATOM 820 CB ASP A 56 -0.186 -3.365 -18.622 1.00 0.00 C ATOM 821 CG ASP A 56 0.750 -3.511 -19.840 1.00 0.00 C ATOM 822 OD1 ASP A 56 0.311 -4.094 -20.858 1.00 0.00 O ATOM 823 OD2 ASP A 56 1.884 -2.989 -19.768 1.00 0.00 O ATOM 0 H ASP A 56 -1.790 -4.286 -16.513 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.769 -4.509 -19.484 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.683 -2.396 -18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.413 -3.370 -17.711 1.00 0.00 H new ATOM 828 N GLU A 57 -0.053 -6.469 -19.274 1.00 0.00 N ATOM 829 CA GLU A 57 0.687 -7.721 -19.154 1.00 0.00 C ATOM 830 C GLU A 57 2.176 -7.406 -19.007 1.00 0.00 C ATOM 831 O GLU A 57 2.713 -6.550 -19.696 1.00 0.00 O ATOM 832 CB GLU A 57 0.392 -8.569 -20.397 1.00 0.00 C ATOM 833 CG GLU A 57 0.989 -9.983 -20.328 1.00 0.00 C ATOM 834 CD GLU A 57 0.666 -10.813 -21.591 1.00 0.00 C ATOM 835 OE1 GLU A 57 1.431 -10.709 -22.571 1.00 0.00 O ATOM 836 OE2 GLU A 57 -0.361 -11.536 -21.567 1.00 0.00 O ATOM 0 H GLU A 57 -0.090 -6.119 -20.231 1.00 0.00 H new ATOM 0 HA GLU A 57 0.384 -8.286 -18.273 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.687 -8.645 -20.528 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.785 -8.059 -21.277 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.070 -9.914 -20.207 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.602 -10.497 -19.448 1.00 0.00 H new ATOM 843 N VAL A 58 2.859 -8.104 -18.104 1.00 0.00 N ATOM 844 CA VAL A 58 4.270 -7.890 -17.769 1.00 0.00 C ATOM 845 C VAL A 58 4.919 -9.238 -17.509 1.00 0.00 C ATOM 846 O VAL A 58 4.268 -10.180 -17.057 1.00 0.00 O ATOM 847 CB VAL A 58 4.402 -6.944 -16.549 1.00 0.00 C ATOM 848 CG1 VAL A 58 3.932 -5.513 -16.857 1.00 0.00 C ATOM 849 CG2 VAL A 58 3.661 -7.440 -15.304 1.00 0.00 C ATOM 0 H VAL A 58 2.435 -8.860 -17.566 1.00 0.00 H new ATOM 0 HA VAL A 58 4.783 -7.408 -18.601 1.00 0.00 H new ATOM 0 HB VAL A 58 5.471 -6.940 -16.335 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.046 -4.893 -15.968 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.532 -5.099 -17.667 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.884 -5.531 -17.155 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.798 -6.727 -14.491 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.598 -7.536 -15.527 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.058 -8.411 -15.007 1.00 0.00 H new ATOM 859 N GLN A 59 6.222 -9.334 -17.771 1.00 0.00 N ATOM 860 CA GLN A 59 7.030 -10.491 -17.415 1.00 0.00 C ATOM 861 C GLN A 59 7.849 -10.108 -16.191 1.00 0.00 C ATOM 862 O GLN A 59 8.487 -9.057 -16.174 1.00 0.00 O ATOM 863 CB GLN A 59 7.878 -10.904 -18.623 1.00 0.00 C ATOM 864 CG GLN A 59 8.586 -12.249 -18.407 1.00 0.00 C ATOM 865 CD GLN A 59 9.100 -12.831 -19.721 1.00 0.00 C ATOM 866 OE1 GLN A 59 10.255 -12.668 -20.083 1.00 0.00 O ATOM 867 NE2 GLN A 59 8.242 -13.506 -20.474 1.00 0.00 N ATOM 0 H GLN A 59 6.749 -8.599 -18.243 1.00 0.00 H new ATOM 0 HA GLN A 59 6.428 -11.363 -17.159 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.241 -10.969 -19.505 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.622 -10.133 -18.822 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.419 -12.116 -17.717 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.896 -12.953 -17.942 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.280 -13.635 -20.160 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.544 -13.896 -21.367 1.00 0.00 H new ATOM 876 N VAL A 60 7.823 -10.957 -15.176 1.00 0.00 N ATOM 877 CA VAL A 60 8.341 -10.714 -13.828 1.00 0.00 C ATOM 878 C VAL A 60 9.298 -11.832 -13.440 1.00 0.00 C ATOM 879 O VAL A 60 9.111 -12.989 -13.819 1.00 0.00 O ATOM 880 CB VAL A 60 7.177 -10.646 -12.813 1.00 0.00 C ATOM 881 CG1 VAL A 60 6.441 -9.305 -12.886 1.00 0.00 C ATOM 882 CG2 VAL A 60 6.146 -11.768 -12.977 1.00 0.00 C ATOM 0 H VAL A 60 7.418 -11.888 -15.270 1.00 0.00 H new ATOM 0 HA VAL A 60 8.872 -9.762 -13.818 1.00 0.00 H new ATOM 0 HB VAL A 60 7.656 -10.765 -11.841 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.630 -9.295 -12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.137 -8.496 -12.665 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.032 -9.169 -13.887 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.361 -11.653 -12.230 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.708 -11.717 -13.974 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.634 -12.733 -12.844 1.00 0.00 H new ATOM 892 N LYS A 61 10.326 -11.497 -12.663 1.00 0.00 N ATOM 893 CA LYS A 61 11.168 -12.485 -12.003 1.00 0.00 C ATOM 894 C LYS A 61 10.618 -12.684 -10.595 1.00 0.00 C ATOM 895 O LYS A 61 10.233 -11.716 -9.942 1.00 0.00 O ATOM 896 CB LYS A 61 12.618 -11.988 -12.027 1.00 0.00 C ATOM 897 CG LYS A 61 13.589 -12.978 -11.367 1.00 0.00 C ATOM 898 CD LYS A 61 15.045 -12.512 -11.506 1.00 0.00 C ATOM 899 CE LYS A 61 16.000 -13.520 -10.858 1.00 0.00 C ATOM 900 NZ LYS A 61 17.417 -13.107 -10.973 1.00 0.00 N ATOM 0 H LYS A 61 10.596 -10.532 -12.475 1.00 0.00 H new ATOM 0 HA LYS A 61 11.160 -13.452 -12.507 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.923 -11.818 -13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.678 -11.028 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.339 -13.086 -10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.475 -13.961 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.295 -12.393 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.166 -11.535 -11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.742 -13.636 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.869 -14.495 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.024 -13.820 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.673 -13.021 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.550 -12.189 -10.502 1.00 0.00 H new ATOM 914 N VAL A 62 10.547 -13.925 -10.132 1.00 0.00 N ATOM 915 CA VAL A 62 10.224 -14.244 -8.747 1.00 0.00 C ATOM 916 C VAL A 62 11.391 -13.796 -7.867 1.00 0.00 C ATOM 917 O VAL A 62 12.492 -14.345 -7.960 1.00 0.00 O ATOM 918 CB VAL A 62 9.912 -15.745 -8.601 1.00 0.00 C ATOM 919 CG1 VAL A 62 9.461 -16.040 -7.167 1.00 0.00 C ATOM 920 CG2 VAL A 62 8.795 -16.194 -9.555 1.00 0.00 C ATOM 0 H VAL A 62 10.714 -14.747 -10.713 1.00 0.00 H new ATOM 0 HA VAL A 62 9.327 -13.714 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 62 10.824 -16.290 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.241 -17.103 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.255 -15.766 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.566 -15.461 -6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.607 -17.259 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.885 -15.634 -9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.099 -16.008 -10.585 1.00 0.00 H new ATOM 930 N LEU A 63 11.148 -12.791 -7.028 1.00 0.00 N ATOM 931 CA LEU A 63 12.140 -12.233 -6.110 1.00 0.00 C ATOM 932 C LEU A 63 12.185 -13.041 -4.817 1.00 0.00 C ATOM 933 O LEU A 63 13.264 -13.334 -4.318 1.00 0.00 O ATOM 934 CB LEU A 63 11.767 -10.775 -5.819 1.00 0.00 C ATOM 935 CG LEU A 63 12.766 -10.021 -4.919 1.00 0.00 C ATOM 936 CD1 LEU A 63 14.055 -9.680 -5.676 1.00 0.00 C ATOM 937 CD2 LEU A 63 12.102 -8.736 -4.410 1.00 0.00 C ATOM 0 H LEU A 63 10.239 -12.333 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 63 13.130 -12.277 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.677 -10.242 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.785 -10.753 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 63 13.036 -10.663 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.737 -9.149 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.528 -10.599 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.818 -9.049 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.800 -8.194 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.824 -8.110 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.209 -8.990 -3.838 1.00 0.00 H new ATOM 949 N ALA A 64 11.020 -13.405 -4.280 1.00 0.00 N ATOM 950 CA ALA A 64 10.861 -14.160 -3.037 1.00 0.00 C ATOM 951 C ALA A 64 9.532 -14.902 -3.079 1.00 0.00 C ATOM 952 O ALA A 64 8.623 -14.503 -3.802 1.00 0.00 O ATOM 953 CB ALA A 64 10.901 -13.211 -1.833 1.00 0.00 C ATOM 0 H ALA A 64 10.127 -13.173 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 64 11.677 -14.876 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.782 -13.784 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.857 -12.688 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.092 -12.485 -1.915 1.00 0.00 H new ATOM 959 N VAL A 65 9.393 -15.941 -2.267 1.00 0.00 N ATOM 960 CA VAL A 65 8.147 -16.687 -2.079 1.00 0.00 C ATOM 961 C VAL A 65 7.956 -16.838 -0.568 1.00 0.00 C ATOM 962 O VAL A 65 8.919 -17.073 0.158 1.00 0.00 O ATOM 963 CB VAL A 65 8.225 -18.038 -2.825 1.00 0.00 C ATOM 964 CG1 VAL A 65 6.943 -18.867 -2.653 1.00 0.00 C ATOM 965 CG2 VAL A 65 8.459 -17.852 -4.332 1.00 0.00 C ATOM 0 H VAL A 65 10.163 -16.302 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 65 7.283 -16.171 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 65 9.070 -18.564 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.043 -19.808 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.782 -19.072 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.094 -18.310 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.507 -18.828 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.639 -17.275 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.398 -17.321 -4.492 1.00 0.00 H new ATOM 1068 N ILE A 72 3.963 -13.794 -2.721 1.00 0.00 N ATOM 1069 CA ILE A 72 5.157 -13.826 -3.572 1.00 0.00 C ATOM 1070 C ILE A 72 5.602 -12.374 -3.728 1.00 0.00 C ATOM 1071 O ILE A 72 4.763 -11.476 -3.804 1.00 0.00 O ATOM 1072 CB ILE A 72 4.801 -14.500 -4.929 1.00 0.00 C ATOM 1073 CG1 ILE A 72 4.449 -15.983 -4.725 1.00 0.00 C ATOM 1074 CG2 ILE A 72 5.933 -14.366 -5.960 1.00 0.00 C ATOM 1075 CD1 ILE A 72 4.091 -16.745 -6.011 1.00 0.00 C ATOM 0 HA ILE A 72 5.971 -14.411 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 72 3.931 -13.975 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.294 -16.480 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.609 -16.050 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.637 -14.852 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.130 -13.311 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.835 -14.840 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.858 -17.781 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.225 -16.279 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.936 -16.715 -6.699 1.00 0.00 H new ATOM 1087 N SER A 73 6.907 -12.144 -3.806 1.00 0.00 N ATOM 1088 CA SER A 73 7.481 -10.859 -4.185 1.00 0.00 C ATOM 1089 C SER A 73 8.129 -11.015 -5.556 1.00 0.00 C ATOM 1090 O SER A 73 8.608 -12.097 -5.904 1.00 0.00 O ATOM 1091 CB SER A 73 8.489 -10.391 -3.131 1.00 0.00 C ATOM 1092 OG SER A 73 7.943 -10.477 -1.820 1.00 0.00 O ATOM 0 H SER A 73 7.608 -12.857 -3.604 1.00 0.00 H new ATOM 0 HA SER A 73 6.705 -10.095 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.391 -10.999 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.784 -9.362 -3.338 1.00 0.00 H new ATOM 0 HG SER A 73 8.609 -10.174 -1.168 1.00 0.00 H new ATOM 1098 N LEU A 74 8.172 -9.944 -6.335 1.00 0.00 N ATOM 1099 CA LEU A 74 8.530 -9.971 -7.748 1.00 0.00 C ATOM 1100 C LEU A 74 9.502 -8.830 -8.046 1.00 0.00 C ATOM 1101 O LEU A 74 9.635 -7.886 -7.265 1.00 0.00 O ATOM 1102 CB LEU A 74 7.260 -9.812 -8.594 1.00 0.00 C ATOM 1103 CG LEU A 74 6.191 -10.912 -8.423 1.00 0.00 C ATOM 1104 CD1 LEU A 74 4.912 -10.510 -9.166 1.00 0.00 C ATOM 1105 CD2 LEU A 74 6.685 -12.265 -8.930 1.00 0.00 C ATOM 0 H LEU A 74 7.954 -9.008 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 74 9.008 -10.920 -7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.805 -8.851 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.549 -9.774 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 74 5.982 -11.014 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.160 -11.289 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.534 -9.573 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.132 -10.382 -10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.904 -13.013 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.931 -12.189 -9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.573 -12.561 -8.371 1.00 0.00 H new ATOM 1117 N SER A 75 10.135 -8.889 -9.211 1.00 0.00 N ATOM 1118 CA SER A 75 11.014 -7.846 -9.721 1.00 0.00 C ATOM 1119 C SER A 75 10.809 -7.670 -11.223 1.00 0.00 C ATOM 1120 O SER A 75 10.398 -8.592 -11.930 1.00 0.00 O ATOM 1121 CB SER A 75 12.468 -8.160 -9.327 1.00 0.00 C ATOM 1122 OG SER A 75 12.815 -9.531 -9.492 1.00 0.00 O ATOM 0 H SER A 75 10.048 -9.685 -9.843 1.00 0.00 H new ATOM 0 HA SER A 75 10.767 -6.885 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.140 -7.548 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.624 -7.876 -8.286 1.00 0.00 H new ATOM 0 HG SER A 75 13.749 -9.666 -9.228 1.00 0.00 H new ATOM 1128 N ILE A 76 11.087 -6.455 -11.705 1.00 0.00 N ATOM 1129 CA ILE A 76 10.853 -5.984 -13.081 1.00 0.00 C ATOM 1130 C ILE A 76 12.129 -5.370 -13.647 1.00 0.00 C ATOM 1131 O ILE A 76 12.420 -5.579 -14.822 1.00 0.00 O ATOM 1132 CB ILE A 76 9.656 -5.002 -13.086 1.00 0.00 C ATOM 1133 CG1 ILE A 76 8.306 -5.718 -12.995 1.00 0.00 C ATOM 1134 CG2 ILE A 76 9.658 -4.056 -14.297 1.00 0.00 C ATOM 1135 CD1 ILE A 76 7.899 -6.501 -14.251 1.00 0.00 C ATOM 0 H ILE A 76 11.503 -5.732 -11.118 1.00 0.00 H new ATOM 0 HA ILE A 76 10.594 -6.819 -13.732 1.00 0.00 H new ATOM 0 HB ILE A 76 9.789 -4.400 -12.187 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.333 -6.406 -12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.534 -4.979 -12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.794 -3.393 -14.242 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.572 -3.462 -14.293 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.609 -4.641 -15.216 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.930 -6.972 -14.088 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.833 -5.820 -15.099 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.645 -7.268 -14.459 1.00 0.00 H new ATOM 1147 N ARG A 77 12.970 -4.708 -12.847 1.00 0.00 N ATOM 1148 CA ARG A 77 14.305 -4.316 -13.304 1.00 0.00 C ATOM 1149 C ARG A 77 15.114 -5.517 -13.777 1.00 0.00 C ATOM 1150 O ARG A 77 15.957 -5.371 -14.650 1.00 0.00 O ATOM 1151 CB ARG A 77 15.016 -3.462 -12.245 1.00 0.00 C ATOM 1152 CG ARG A 77 15.472 -4.195 -10.967 1.00 0.00 C ATOM 1153 CD ARG A 77 16.319 -3.253 -10.097 1.00 0.00 C ATOM 1154 NE ARG A 77 16.599 -3.835 -8.784 1.00 0.00 N ATOM 1155 CZ ARG A 77 17.516 -3.432 -7.900 1.00 0.00 C ATOM 1156 NH1 ARG A 77 18.474 -2.572 -8.242 1.00 0.00 N ATOM 1157 NH2 ARG A 77 17.513 -3.918 -6.671 1.00 0.00 N ATOM 0 H ARG A 77 12.752 -4.435 -11.889 1.00 0.00 H new ATOM 0 HA ARG A 77 14.200 -3.681 -14.183 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.891 -3.004 -12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.347 -2.652 -11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.604 -4.540 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.052 -5.079 -11.232 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.258 -3.034 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.796 -2.305 -9.971 1.00 0.00 H new ATOM 0 HE ARG A 77 16.031 -4.638 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.517 -2.209 -9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.165 -2.277 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.809 -4.603 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.214 -3.608 -5.998 1.00 0.00 H new ATOM 1171 N ALA A 78 14.829 -6.704 -13.228 1.00 0.00 N ATOM 1172 CA ALA A 78 15.390 -7.972 -13.674 1.00 0.00 C ATOM 1173 C ALA A 78 15.004 -8.312 -15.117 1.00 0.00 C ATOM 1174 O ALA A 78 15.847 -8.794 -15.862 1.00 0.00 O ATOM 1175 CB ALA A 78 14.918 -9.080 -12.728 1.00 0.00 C ATOM 0 H ALA A 78 14.186 -6.805 -12.443 1.00 0.00 H new ATOM 0 HA ALA A 78 16.476 -7.886 -13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.332 -10.035 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.257 -8.862 -11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.829 -9.132 -12.743 1.00 0.00 H new