USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 129:sc= -0.0832 (180deg=-0.477) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-3.37e-05 X(o=-3.4e-05,f=-0.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -71:sc= -0.415 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -151:sc= -2.76! USER MOD Single : A 39 SER OG : rot 140:sc= -1.51! USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0095 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= -0.0142 (180deg=-0.225) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.328 0.000 0.000 1.00 4.00 N ATOM 2 CA LEU A 1 2.094 0.000 -1.242 1.00 75.31 C ATOM 3 C LEU A 1 1.984 -1.348 -1.949 1.00 1.33 C ATOM 4 O LEU A 1 1.619 -1.417 -3.122 1.00 72.33 O ATOM 5 CB LEU A 1 3.562 0.323 -0.960 1.00 32.32 C ATOM 6 CG LEU A 1 4.024 1.730 -1.338 1.00 1.32 C ATOM 7 CD1 LEU A 1 3.189 2.778 -0.618 1.00 74.23 C ATOM 8 CD2 LEU A 1 5.501 1.911 -1.017 1.00 73.11 C ATOM 0 H1 LEU A 1 1.930 0.335 0.779 1.00 4.00 H new ATOM 0 HA LEU A 1 1.680 0.768 -1.896 1.00 75.31 H new ATOM 0 HB2 LEU A 1 3.748 0.175 0.104 1.00 32.32 H new ATOM 0 HB3 LEU A 1 4.181 -0.397 -1.495 1.00 32.32 H new ATOM 0 HG LEU A 1 3.887 1.860 -2.411 1.00 1.32 H new ATOM 0 HD11 LEU A 1 3.533 3.773 -0.900 1.00 74.23 H new ATOM 0 HD12 LEU A 1 2.142 2.663 -0.897 1.00 74.23 H new ATOM 0 HD13 LEU A 1 3.294 2.649 0.459 1.00 74.23 H new ATOM 0 HD21 LEU A 1 5.812 2.918 -1.293 1.00 73.11 H new ATOM 0 HD22 LEU A 1 5.662 1.761 0.050 1.00 73.11 H new ATOM 0 HD23 LEU A 1 6.087 1.184 -1.579 1.00 73.11 H new ATOM 20 N VAL A 2 2.301 -2.417 -1.225 1.00 43.14 N ATOM 21 CA VAL A 2 2.236 -3.763 -1.782 1.00 34.14 C ATOM 22 C VAL A 2 0.812 -4.117 -2.197 1.00 61.11 C ATOM 23 O VAL A 2 0.576 -4.571 -3.316 1.00 41.14 O ATOM 24 CB VAL A 2 2.740 -4.812 -0.773 1.00 63.22 C ATOM 25 CG1 VAL A 2 2.719 -6.201 -1.392 1.00 65.54 C ATOM 26 CG2 VAL A 2 4.138 -4.456 -0.289 1.00 73.20 C ATOM 0 H VAL A 2 2.605 -2.377 -0.252 1.00 43.14 H new ATOM 0 HA VAL A 2 2.881 -3.774 -2.660 1.00 34.14 H new ATOM 0 HB VAL A 2 2.071 -4.814 0.088 1.00 63.22 H new ATOM 0 HG11 VAL A 2 3.078 -6.929 -0.665 1.00 65.54 H new ATOM 0 HG12 VAL A 2 1.700 -6.453 -1.685 1.00 65.54 H new ATOM 0 HG13 VAL A 2 3.364 -6.218 -2.271 1.00 65.54 H new ATOM 0 HG21 VAL A 2 4.479 -5.207 0.423 1.00 73.20 H new ATOM 0 HG22 VAL A 2 4.820 -4.425 -1.138 1.00 73.20 H new ATOM 0 HG23 VAL A 2 4.118 -3.480 0.195 1.00 73.20 H new ATOM 36 N ALA A 3 -0.134 -3.906 -1.288 1.00 3.13 N ATOM 37 CA ALA A 3 -1.535 -4.200 -1.560 1.00 70.25 C ATOM 38 C ALA A 3 -2.075 -3.312 -2.676 1.00 73.54 C ATOM 39 O ALA A 3 -2.975 -3.709 -3.417 1.00 53.34 O ATOM 40 CB ALA A 3 -2.366 -4.028 -0.298 1.00 21.25 C ATOM 0 H ALA A 3 0.045 -3.532 -0.356 1.00 3.13 H new ATOM 0 HA ALA A 3 -1.605 -5.237 -1.889 1.00 70.25 H new ATOM 0 HB1 ALA A 3 -3.410 -4.251 -0.517 1.00 21.25 H new ATOM 0 HB2 ALA A 3 -2.003 -4.709 0.472 1.00 21.25 H new ATOM 0 HB3 ALA A 3 -2.281 -3.001 0.056 1.00 21.25 H new ATOM 46 N TYR A 4 -1.521 -2.111 -2.790 1.00 54.44 N ATOM 47 CA TYR A 4 -1.950 -1.165 -3.814 1.00 72.33 C ATOM 48 C TYR A 4 -1.437 -1.582 -5.189 1.00 51.24 C ATOM 49 O TYR A 4 -2.190 -1.614 -6.162 1.00 21.51 O ATOM 50 CB TYR A 4 -1.456 0.242 -3.478 1.00 4.41 C ATOM 51 CG TYR A 4 -1.679 1.244 -4.588 1.00 52.21 C ATOM 52 CD1 TYR A 4 -2.958 1.685 -4.906 1.00 2.54 C ATOM 53 CD2 TYR A 4 -0.611 1.750 -5.319 1.00 53.31 C ATOM 54 CE1 TYR A 4 -3.167 2.600 -5.920 1.00 24.04 C ATOM 55 CE2 TYR A 4 -0.811 2.666 -6.334 1.00 5.31 C ATOM 56 CZ TYR A 4 -2.090 3.088 -6.631 1.00 21.43 C ATOM 57 OH TYR A 4 -2.294 4.000 -7.641 1.00 23.14 O ATOM 0 H TYR A 4 -0.774 -1.769 -2.186 1.00 54.44 H new ATOM 0 HA TYR A 4 -3.040 -1.163 -3.838 1.00 72.33 H new ATOM 0 HB2 TYR A 4 -1.963 0.591 -2.578 1.00 4.41 H new ATOM 0 HB3 TYR A 4 -0.392 0.199 -3.248 1.00 4.41 H new ATOM 0 HD1 TYR A 4 -3.803 1.306 -4.351 1.00 2.54 H new ATOM 0 HD2 TYR A 4 0.392 1.422 -5.090 1.00 53.31 H new ATOM 0 HE1 TYR A 4 -4.168 2.931 -6.155 1.00 24.04 H new ATOM 0 HE2 TYR A 4 0.030 3.050 -6.892 1.00 5.31 H new ATOM 0 HH TYR A 4 -1.433 4.244 -8.041 1.00 23.14 H new ATOM 67 N GLY A 5 -0.148 -1.900 -5.261 1.00 72.45 N ATOM 68 CA GLY A 5 0.445 -2.311 -6.520 1.00 62.35 C ATOM 69 C GLY A 5 1.953 -2.152 -6.531 1.00 15.35 C ATOM 70 O GLY A 5 2.653 -2.858 -7.257 1.00 1.45 O ATOM 0 H GLY A 5 0.496 -1.880 -4.470 1.00 72.45 H new ATOM 0 HA2 GLY A 5 0.191 -3.353 -6.714 1.00 62.35 H new ATOM 0 HA3 GLY A 5 0.015 -1.722 -7.330 1.00 62.35 H new ATOM 74 N ILE A 6 2.453 -1.221 -5.725 1.00 33.13 N ATOM 75 CA ILE A 6 3.886 -0.971 -5.645 1.00 24.14 C ATOM 76 C ILE A 6 4.641 -2.228 -5.224 1.00 11.43 C ATOM 77 O ILE A 6 4.234 -2.927 -4.297 1.00 11.15 O ATOM 78 CB ILE A 6 4.206 0.162 -4.652 1.00 54.51 C ATOM 79 CG1 ILE A 6 3.477 1.445 -5.058 1.00 45.51 C ATOM 80 CG2 ILE A 6 5.707 0.398 -4.583 1.00 10.45 C ATOM 81 CD1 ILE A 6 3.826 1.923 -6.451 1.00 34.04 C ATOM 0 H ILE A 6 1.887 -0.628 -5.119 1.00 33.13 H new ATOM 0 HA ILE A 6 4.210 -0.672 -6.642 1.00 24.14 H new ATOM 0 HB ILE A 6 3.859 -0.133 -3.662 1.00 54.51 H new ATOM 0 HG12 ILE A 6 2.402 1.277 -4.999 1.00 45.51 H new ATOM 0 HG13 ILE A 6 3.716 2.231 -4.342 1.00 45.51 H new ATOM 0 HG21 ILE A 6 5.917 1.202 -3.877 1.00 10.45 H new ATOM 0 HG22 ILE A 6 6.204 -0.514 -4.253 1.00 10.45 H new ATOM 0 HG23 ILE A 6 6.077 0.676 -5.570 1.00 10.45 H new ATOM 0 HD11 ILE A 6 3.273 2.836 -6.672 1.00 34.04 H new ATOM 0 HD12 ILE A 6 4.896 2.124 -6.509 1.00 34.04 H new ATOM 0 HD13 ILE A 6 3.561 1.154 -7.177 1.00 34.04 H new ATOM 93 N ALA A 7 5.744 -2.507 -5.911 1.00 34.12 N ATOM 94 CA ALA A 7 6.558 -3.677 -5.606 1.00 33.12 C ATOM 95 C ALA A 7 6.920 -3.723 -4.125 1.00 61.03 C ATOM 96 O ALA A 7 7.168 -2.689 -3.506 1.00 41.10 O ATOM 97 CB ALA A 7 7.817 -3.681 -6.460 1.00 0.02 C ATOM 0 H ALA A 7 6.094 -1.939 -6.682 1.00 34.12 H new ATOM 0 HA ALA A 7 5.973 -4.567 -5.838 1.00 33.12 H new ATOM 0 HB1 ALA A 7 8.415 -4.560 -6.222 1.00 0.02 H new ATOM 0 HB2 ALA A 7 7.541 -3.704 -7.514 1.00 0.02 H new ATOM 0 HB3 ALA A 7 8.397 -2.781 -6.257 1.00 0.02 H new ATOM 103 N GLN A 8 6.948 -4.928 -3.565 1.00 12.23 N ATOM 104 CA GLN A 8 7.279 -5.107 -2.156 1.00 14.21 C ATOM 105 C GLN A 8 8.736 -4.745 -1.889 1.00 30.33 C ATOM 106 O GLN A 8 9.055 -4.112 -0.883 1.00 55.35 O ATOM 107 CB GLN A 8 7.012 -6.551 -1.727 1.00 42.23 C ATOM 108 CG GLN A 8 7.762 -7.580 -2.557 1.00 62.13 C ATOM 109 CD GLN A 8 7.028 -8.903 -2.649 1.00 31.21 C ATOM 110 OE1 GLN A 8 6.260 -9.263 -1.756 1.00 55.05 O ATOM 111 NE2 GLN A 8 7.261 -9.636 -3.731 1.00 72.14 N ATOM 0 H GLN A 8 6.746 -5.794 -4.065 1.00 12.23 H new ATOM 0 HA GLN A 8 6.645 -4.439 -1.572 1.00 14.21 H new ATOM 0 HB2 GLN A 8 7.291 -6.668 -0.680 1.00 42.23 H new ATOM 0 HB3 GLN A 8 5.943 -6.750 -1.796 1.00 42.23 H new ATOM 0 HG2 GLN A 8 7.920 -7.186 -3.561 1.00 62.13 H new ATOM 0 HG3 GLN A 8 8.747 -7.745 -2.121 1.00 62.13 H new ATOM 0 HE21 GLN A 8 7.905 -9.299 -4.446 1.00 72.14 H new ATOM 0 HE22 GLN A 8 6.796 -10.536 -3.847 1.00 72.14 H new ATOM 120 N GLY A 9 9.618 -5.153 -2.796 1.00 70.24 N ATOM 121 CA GLY A 9 11.031 -4.863 -2.640 1.00 23.41 C ATOM 122 C GLY A 9 11.324 -3.376 -2.664 1.00 64.44 C ATOM 123 O GLY A 9 12.075 -2.869 -1.830 1.00 33.33 O ATOM 0 H GLY A 9 9.379 -5.679 -3.636 1.00 70.24 H new ATOM 0 HA2 GLY A 9 11.383 -5.284 -1.699 1.00 23.41 H new ATOM 0 HA3 GLY A 9 11.590 -5.353 -3.437 1.00 23.41 H new ATOM 127 N THR A 10 10.733 -2.674 -3.625 1.00 54.35 N ATOM 128 CA THR A 10 10.936 -1.237 -3.758 1.00 3.35 C ATOM 129 C THR A 10 10.146 -0.470 -2.703 1.00 61.21 C ATOM 130 O THR A 10 10.516 0.640 -2.322 1.00 53.15 O ATOM 131 CB THR A 10 10.524 -0.737 -5.155 1.00 65.02 C ATOM 132 OG1 THR A 10 11.022 -1.628 -6.160 1.00 51.41 O ATOM 133 CG2 THR A 10 11.055 0.666 -5.406 1.00 43.33 C ATOM 0 H THR A 10 10.109 -3.078 -4.324 1.00 54.35 H new ATOM 0 HA THR A 10 12.001 -1.055 -3.615 1.00 3.35 H new ATOM 0 HB THR A 10 9.435 -0.710 -5.201 1.00 65.02 H new ATOM 0 HG1 THR A 10 10.755 -1.304 -7.046 1.00 51.41 H new ATOM 0 HG21 THR A 10 10.751 0.998 -6.399 1.00 43.33 H new ATOM 0 HG22 THR A 10 10.652 1.347 -4.657 1.00 43.33 H new ATOM 0 HG23 THR A 10 12.143 0.660 -5.343 1.00 43.33 H new ATOM 141 N ALA A 11 9.057 -1.070 -2.234 1.00 71.33 N ATOM 142 CA ALA A 11 8.216 -0.445 -1.221 1.00 41.33 C ATOM 143 C ALA A 11 9.026 -0.086 0.020 1.00 45.14 C ATOM 144 O ALA A 11 9.070 1.074 0.429 1.00 34.54 O ATOM 145 CB ALA A 11 7.061 -1.364 -0.852 1.00 65.33 C ATOM 0 H ALA A 11 8.736 -1.989 -2.540 1.00 71.33 H new ATOM 0 HA ALA A 11 7.812 0.477 -1.639 1.00 41.33 H new ATOM 0 HB1 ALA A 11 6.442 -0.884 -0.094 1.00 65.33 H new ATOM 0 HB2 ALA A 11 6.459 -1.566 -1.738 1.00 65.33 H new ATOM 0 HB3 ALA A 11 7.454 -2.302 -0.459 1.00 65.33 H new ATOM 151 N GLU A 12 9.666 -1.089 0.613 1.00 5.43 N ATOM 152 CA GLU A 12 10.474 -0.877 1.809 1.00 60.11 C ATOM 153 C GLU A 12 11.479 0.251 1.594 1.00 11.12 C ATOM 154 O GLU A 12 11.713 1.068 2.485 1.00 21.34 O ATOM 155 CB GLU A 12 11.209 -2.164 2.189 1.00 62.11 C ATOM 156 CG GLU A 12 10.304 -3.382 2.267 1.00 52.13 C ATOM 157 CD GLU A 12 10.878 -4.481 3.140 1.00 51.23 C ATOM 158 OE1 GLU A 12 12.045 -4.352 3.564 1.00 45.41 O ATOM 159 OE2 GLU A 12 10.160 -5.470 3.398 1.00 5.55 O ATOM 0 H GLU A 12 9.641 -2.055 0.286 1.00 5.43 H new ATOM 0 HA GLU A 12 9.806 -0.595 2.623 1.00 60.11 H new ATOM 0 HB2 GLU A 12 11.995 -2.352 1.458 1.00 62.11 H new ATOM 0 HB3 GLU A 12 11.697 -2.022 3.153 1.00 62.11 H new ATOM 0 HG2 GLU A 12 9.332 -3.083 2.658 1.00 52.13 H new ATOM 0 HG3 GLU A 12 10.137 -3.771 1.262 1.00 52.13 H new ATOM 166 N LYS A 13 12.071 0.290 0.405 1.00 32.23 N ATOM 167 CA LYS A 13 13.050 1.317 0.071 1.00 62.12 C ATOM 168 C LYS A 13 12.391 2.690 -0.015 1.00 62.23 C ATOM 169 O LYS A 13 12.895 3.667 0.539 1.00 54.01 O ATOM 170 CB LYS A 13 13.735 0.984 -1.257 1.00 5.24 C ATOM 171 CG LYS A 13 14.889 0.006 -1.117 1.00 72.23 C ATOM 172 CD LYS A 13 15.848 0.104 -2.292 1.00 31.53 C ATOM 173 CE LYS A 13 15.167 -0.270 -3.600 1.00 3.23 C ATOM 174 NZ LYS A 13 16.121 -0.261 -4.744 1.00 11.55 N ATOM 0 H LYS A 13 11.889 -0.378 -0.344 1.00 32.23 H new ATOM 0 HA LYS A 13 13.798 1.342 0.863 1.00 62.12 H new ATOM 0 HB2 LYS A 13 12.997 0.567 -1.942 1.00 5.24 H new ATOM 0 HB3 LYS A 13 14.103 1.906 -1.708 1.00 5.24 H new ATOM 0 HG2 LYS A 13 15.426 0.206 -0.190 1.00 72.23 H new ATOM 0 HG3 LYS A 13 14.500 -1.010 -1.047 1.00 72.23 H new ATOM 0 HD2 LYS A 13 16.238 1.120 -2.361 1.00 31.53 H new ATOM 0 HD3 LYS A 13 16.700 -0.554 -2.123 1.00 31.53 H new ATOM 0 HE2 LYS A 13 14.721 -1.260 -3.507 1.00 3.23 H new ATOM 0 HE3 LYS A 13 14.354 0.429 -3.799 1.00 3.23 H new ATOM 0 HZ1 LYS A 13 15.619 -0.521 -5.617 1.00 11.55 H new ATOM 0 HZ2 LYS A 13 16.528 0.690 -4.849 1.00 11.55 H new ATOM 0 HZ3 LYS A 13 16.883 -0.946 -4.566 1.00 11.55 H new ATOM 188 N VAL A 14 11.261 2.756 -0.712 1.00 43.25 N ATOM 189 CA VAL A 14 10.532 4.009 -0.869 1.00 31.05 C ATOM 190 C VAL A 14 10.084 4.556 0.482 1.00 32.01 C ATOM 191 O VAL A 14 10.144 5.761 0.727 1.00 25.13 O ATOM 192 CB VAL A 14 9.298 3.831 -1.773 1.00 31.00 C ATOM 193 CG1 VAL A 14 8.535 5.141 -1.899 1.00 73.31 C ATOM 194 CG2 VAL A 14 9.711 3.311 -3.142 1.00 5.54 C ATOM 0 H VAL A 14 10.831 1.957 -1.177 1.00 43.25 H new ATOM 0 HA VAL A 14 11.216 4.717 -1.336 1.00 31.05 H new ATOM 0 HB VAL A 14 8.637 3.096 -1.315 1.00 31.00 H new ATOM 0 HG11 VAL A 14 7.666 4.996 -2.541 1.00 73.31 H new ATOM 0 HG12 VAL A 14 8.206 5.467 -0.912 1.00 73.31 H new ATOM 0 HG13 VAL A 14 9.185 5.900 -2.334 1.00 73.31 H new ATOM 0 HG21 VAL A 14 8.827 3.191 -3.768 1.00 5.54 H new ATOM 0 HG22 VAL A 14 10.393 4.021 -3.610 1.00 5.54 H new ATOM 0 HG23 VAL A 14 10.210 2.348 -3.030 1.00 5.54 H new ATOM 204 N VAL A 15 9.634 3.662 1.357 1.00 72.22 N ATOM 205 CA VAL A 15 9.177 4.054 2.684 1.00 15.14 C ATOM 206 C VAL A 15 10.257 4.828 3.431 1.00 10.04 C ATOM 207 O VAL A 15 9.963 5.766 4.173 1.00 62.41 O ATOM 208 CB VAL A 15 8.767 2.828 3.522 1.00 53.21 C ATOM 209 CG1 VAL A 15 8.325 3.255 4.914 1.00 45.24 C ATOM 210 CG2 VAL A 15 7.665 2.048 2.820 1.00 1.33 C ATOM 0 H VAL A 15 9.576 2.661 1.170 1.00 72.22 H new ATOM 0 HA VAL A 15 8.307 4.695 2.542 1.00 15.14 H new ATOM 0 HB VAL A 15 9.634 2.175 3.627 1.00 53.21 H new ATOM 0 HG11 VAL A 15 8.039 2.375 5.491 1.00 45.24 H new ATOM 0 HG12 VAL A 15 9.146 3.767 5.416 1.00 45.24 H new ATOM 0 HG13 VAL A 15 7.472 3.929 4.834 1.00 45.24 H new ATOM 0 HG21 VAL A 15 7.387 1.185 3.426 1.00 1.33 H new ATOM 0 HG22 VAL A 15 6.795 2.690 2.683 1.00 1.33 H new ATOM 0 HG23 VAL A 15 8.022 1.709 1.848 1.00 1.33 H new ATOM 220 N SER A 16 11.509 4.429 3.230 1.00 11.22 N ATOM 221 CA SER A 16 12.634 5.083 3.887 1.00 4.34 C ATOM 222 C SER A 16 12.709 6.557 3.499 1.00 35.13 C ATOM 223 O SER A 16 13.067 7.408 4.314 1.00 52.40 O ATOM 224 CB SER A 16 13.944 4.381 3.522 1.00 53.42 C ATOM 225 OG SER A 16 15.007 4.824 4.348 1.00 62.45 O ATOM 0 H SER A 16 11.769 3.656 2.617 1.00 11.22 H new ATOM 0 HA SER A 16 12.482 5.016 4.964 1.00 4.34 H new ATOM 0 HB2 SER A 16 13.824 3.303 3.626 1.00 53.42 H new ATOM 0 HB3 SER A 16 14.186 4.576 2.477 1.00 53.42 H new ATOM 0 HG SER A 16 15.832 4.360 4.096 1.00 62.45 H new ATOM 231 N LEU A 17 12.367 6.851 2.249 1.00 24.35 N ATOM 232 CA LEU A 17 12.395 8.221 1.751 1.00 15.51 C ATOM 233 C LEU A 17 11.266 9.046 2.363 1.00 62.34 C ATOM 234 O LEU A 17 11.386 10.261 2.518 1.00 4.32 O ATOM 235 CB LEU A 17 12.281 8.233 0.226 1.00 72.34 C ATOM 236 CG LEU A 17 13.579 8.483 -0.542 1.00 40.54 C ATOM 237 CD1 LEU A 17 14.067 9.906 -0.316 1.00 71.01 C ATOM 238 CD2 LEU A 17 14.646 7.480 -0.129 1.00 74.20 C ATOM 0 H LEU A 17 12.067 6.159 1.562 1.00 24.35 H new ATOM 0 HA LEU A 17 13.346 8.668 2.042 1.00 15.51 H new ATOM 0 HB2 LEU A 17 11.871 7.276 -0.095 1.00 72.34 H new ATOM 0 HB3 LEU A 17 11.561 9.000 -0.058 1.00 72.34 H new ATOM 0 HG LEU A 17 13.379 8.353 -1.606 1.00 40.54 H new ATOM 0 HD11 LEU A 17 14.992 10.066 -0.870 1.00 71.01 H new ATOM 0 HD12 LEU A 17 13.310 10.610 -0.663 1.00 71.01 H new ATOM 0 HD13 LEU A 17 14.249 10.064 0.747 1.00 71.01 H new ATOM 0 HD21 LEU A 17 15.563 7.674 -0.686 1.00 74.20 H new ATOM 0 HD22 LEU A 17 14.843 7.577 0.939 1.00 74.20 H new ATOM 0 HD23 LEU A 17 14.298 6.470 -0.343 1.00 74.20 H new ATOM 250 N ILE A 18 10.172 8.376 2.709 1.00 1.10 N ATOM 251 CA ILE A 18 9.024 9.046 3.307 1.00 50.43 C ATOM 252 C ILE A 18 9.375 9.623 4.674 1.00 13.31 C ATOM 253 O ILE A 18 8.893 10.690 5.051 1.00 55.52 O ATOM 254 CB ILE A 18 7.828 8.088 3.458 1.00 62.31 C ATOM 255 CG1 ILE A 18 7.549 7.373 2.134 1.00 12.21 C ATOM 256 CG2 ILE A 18 6.596 8.847 3.926 1.00 1.43 C ATOM 257 CD1 ILE A 18 6.389 6.404 2.203 1.00 3.33 C ATOM 0 H ILE A 18 10.057 7.370 2.586 1.00 1.10 H new ATOM 0 HA ILE A 18 8.746 9.857 2.634 1.00 50.43 H new ATOM 0 HB ILE A 18 8.075 7.338 4.209 1.00 62.31 H new ATOM 0 HG12 ILE A 18 7.345 8.117 1.364 1.00 12.21 H new ATOM 0 HG13 ILE A 18 8.445 6.834 1.826 1.00 12.21 H new ATOM 0 HG21 ILE A 18 5.760 8.156 4.028 1.00 1.43 H new ATOM 0 HG22 ILE A 18 6.800 9.314 4.890 1.00 1.43 H new ATOM 0 HG23 ILE A 18 6.344 9.617 3.196 1.00 1.43 H new ATOM 0 HD11 ILE A 18 6.249 5.934 1.229 1.00 3.33 H new ATOM 0 HD12 ILE A 18 6.599 5.638 2.949 1.00 3.33 H new ATOM 0 HD13 ILE A 18 5.482 6.941 2.480 1.00 3.33 H new ATOM 269 N ASN A 19 10.219 8.910 5.412 1.00 2.22 N ATOM 270 CA ASN A 19 10.636 9.352 6.738 1.00 23.10 C ATOM 271 C ASN A 19 11.275 10.736 6.674 1.00 23.13 C ATOM 272 O ASN A 19 11.291 11.470 7.662 1.00 31.51 O ATOM 273 CB ASN A 19 11.621 8.351 7.346 1.00 71.23 C ATOM 274 CG ASN A 19 11.745 8.502 8.849 1.00 5.44 C ATOM 275 OD1 ASN A 19 10.746 8.524 9.567 1.00 34.43 O ATOM 276 ND2 ASN A 19 12.978 8.609 9.333 1.00 14.10 N ATOM 0 H ASN A 19 10.628 8.024 5.115 1.00 2.22 H new ATOM 0 HA ASN A 19 9.750 9.409 7.370 1.00 23.10 H new ATOM 0 HB2 ASN A 19 11.296 7.337 7.111 1.00 71.23 H new ATOM 0 HB3 ASN A 19 12.601 8.486 6.888 1.00 71.23 H new ATOM 0 HD21 ASN A 19 13.124 8.714 10.337 1.00 14.10 H new ATOM 0 HD22 ASN A 19 13.778 8.586 8.701 1.00 14.10 H new ATOM 283 N ALA A 20 11.801 11.086 5.505 1.00 72.32 N ATOM 284 CA ALA A 20 12.439 12.382 5.311 1.00 35.10 C ATOM 285 C ALA A 20 11.430 13.517 5.453 1.00 31.33 C ATOM 286 O ALA A 20 11.802 14.665 5.690 1.00 41.21 O ATOM 287 CB ALA A 20 13.113 12.440 3.948 1.00 15.11 C ATOM 0 H ALA A 20 11.798 10.490 4.678 1.00 72.32 H new ATOM 0 HA ALA A 20 13.197 12.506 6.084 1.00 35.10 H new ATOM 0 HB1 ALA A 20 13.585 13.414 3.817 1.00 15.11 H new ATOM 0 HB2 ALA A 20 13.869 11.658 3.883 1.00 15.11 H new ATOM 0 HB3 ALA A 20 12.368 12.290 3.167 1.00 15.11 H new ATOM 293 N GLY A 21 10.150 13.187 5.307 1.00 61.14 N ATOM 294 CA GLY A 21 9.108 14.190 5.421 1.00 13.14 C ATOM 295 C GLY A 21 8.868 14.929 4.120 1.00 62.24 C ATOM 296 O GLY A 21 8.019 15.819 4.049 1.00 23.41 O ATOM 0 H GLY A 21 9.817 12.243 5.112 1.00 61.14 H new ATOM 0 HA2 GLY A 21 8.182 13.712 5.740 1.00 13.14 H new ATOM 0 HA3 GLY A 21 9.381 14.906 6.197 1.00 13.14 H new ATOM 300 N LEU A 22 9.618 14.562 3.086 1.00 21.24 N ATOM 301 CA LEU A 22 9.485 15.197 1.780 1.00 15.20 C ATOM 302 C LEU A 22 8.138 14.863 1.147 1.00 34.11 C ATOM 303 O LEU A 22 7.527 13.841 1.463 1.00 53.20 O ATOM 304 CB LEU A 22 10.620 14.752 0.856 1.00 15.11 C ATOM 305 CG LEU A 22 11.921 15.548 0.960 1.00 11.22 C ATOM 306 CD1 LEU A 22 12.702 15.135 2.198 1.00 14.43 C ATOM 307 CD2 LEU A 22 12.764 15.358 -0.292 1.00 61.22 C ATOM 0 H LEU A 22 10.325 13.828 3.127 1.00 21.24 H new ATOM 0 HA LEU A 22 9.542 16.276 1.921 1.00 15.20 H new ATOM 0 HB2 LEU A 22 10.841 13.705 1.063 1.00 15.11 H new ATOM 0 HB3 LEU A 22 10.266 14.806 -0.173 1.00 15.11 H new ATOM 0 HG LEU A 22 11.671 16.605 1.049 1.00 11.22 H new ATOM 0 HD11 LEU A 22 13.625 15.712 2.255 1.00 14.43 H new ATOM 0 HD12 LEU A 22 12.100 15.323 3.087 1.00 14.43 H new ATOM 0 HD13 LEU A 22 12.941 14.073 2.140 1.00 14.43 H new ATOM 0 HD21 LEU A 22 13.686 15.932 -0.200 1.00 61.22 H new ATOM 0 HD22 LEU A 22 13.004 14.302 -0.412 1.00 61.22 H new ATOM 0 HD23 LEU A 22 12.206 15.704 -1.162 1.00 61.22 H new ATOM 319 N THR A 23 7.680 15.730 0.249 1.00 13.14 N ATOM 320 CA THR A 23 6.406 15.527 -0.429 1.00 60.12 C ATOM 321 C THR A 23 6.529 14.474 -1.525 1.00 14.21 C ATOM 322 O THR A 23 7.633 14.111 -1.930 1.00 32.20 O ATOM 323 CB THR A 23 5.884 16.837 -1.048 1.00 51.21 C ATOM 324 OG1 THR A 23 6.675 17.190 -2.188 1.00 71.35 O ATOM 325 CG2 THR A 23 5.919 17.968 -0.031 1.00 23.11 C ATOM 0 H THR A 23 8.173 16.580 -0.025 1.00 13.14 H new ATOM 0 HA THR A 23 5.698 15.183 0.325 1.00 60.12 H new ATOM 0 HB THR A 23 4.851 16.680 -1.358 1.00 51.21 H new ATOM 0 HG1 THR A 23 6.335 18.023 -2.577 1.00 71.35 H new ATOM 0 HG21 THR A 23 5.546 18.883 -0.491 1.00 23.11 H new ATOM 0 HG22 THR A 23 5.292 17.709 0.823 1.00 23.11 H new ATOM 0 HG23 THR A 23 6.944 18.123 0.305 1.00 23.11 H new ATOM 333 N VAL A 24 5.387 13.988 -2.002 1.00 22.50 N ATOM 334 CA VAL A 24 5.367 12.977 -3.053 1.00 10.21 C ATOM 335 C VAL A 24 6.226 13.401 -4.239 1.00 61.40 C ATOM 336 O VAL A 24 6.791 12.563 -4.940 1.00 63.42 O ATOM 337 CB VAL A 24 3.932 12.706 -3.543 1.00 42.02 C ATOM 338 CG1 VAL A 24 3.375 13.924 -4.265 1.00 64.41 C ATOM 339 CG2 VAL A 24 3.900 11.481 -4.444 1.00 62.22 C ATOM 0 H VAL A 24 4.464 14.278 -1.678 1.00 22.50 H new ATOM 0 HA VAL A 24 5.774 12.063 -2.621 1.00 10.21 H new ATOM 0 HB VAL A 24 3.302 12.508 -2.676 1.00 42.02 H new ATOM 0 HG11 VAL A 24 2.361 13.714 -4.604 1.00 64.41 H new ATOM 0 HG12 VAL A 24 3.361 14.775 -3.585 1.00 64.41 H new ATOM 0 HG13 VAL A 24 4.004 14.157 -5.124 1.00 64.41 H new ATOM 0 HG21 VAL A 24 2.879 11.304 -4.781 1.00 62.22 H new ATOM 0 HG22 VAL A 24 4.544 11.648 -5.308 1.00 62.22 H new ATOM 0 HG23 VAL A 24 4.255 10.612 -3.890 1.00 62.22 H new ATOM 349 N GLY A 25 6.320 14.709 -4.458 1.00 23.23 N ATOM 350 CA GLY A 25 7.113 15.222 -5.560 1.00 31.42 C ATOM 351 C GLY A 25 8.531 14.686 -5.552 1.00 40.24 C ATOM 352 O GLY A 25 9.088 14.369 -6.604 1.00 13.54 O ATOM 0 H GLY A 25 5.861 15.423 -3.892 1.00 23.23 H new ATOM 0 HA2 GLY A 25 6.633 14.958 -6.503 1.00 31.42 H new ATOM 0 HA3 GLY A 25 7.139 16.311 -5.509 1.00 31.42 H new ATOM 356 N SER A 26 9.118 14.586 -4.364 1.00 50.20 N ATOM 357 CA SER A 26 10.482 14.091 -4.225 1.00 23.34 C ATOM 358 C SER A 26 10.549 12.594 -4.513 1.00 12.03 C ATOM 359 O SER A 26 11.584 12.077 -4.934 1.00 3.53 O ATOM 360 CB SER A 26 11.009 14.374 -2.817 1.00 1.54 C ATOM 361 OG SER A 26 10.653 13.336 -1.920 1.00 42.21 O ATOM 0 H SER A 26 8.670 14.841 -3.484 1.00 50.20 H new ATOM 0 HA SER A 26 11.106 14.612 -4.951 1.00 23.34 H new ATOM 0 HB2 SER A 26 12.094 14.478 -2.846 1.00 1.54 H new ATOM 0 HB3 SER A 26 10.607 15.322 -2.459 1.00 1.54 H new ATOM 0 HG SER A 26 9.691 13.377 -1.737 1.00 42.21 H new ATOM 367 N ILE A 27 9.437 11.904 -4.283 1.00 20.23 N ATOM 368 CA ILE A 27 9.368 10.467 -4.518 1.00 70.02 C ATOM 369 C ILE A 27 9.517 10.145 -6.001 1.00 51.23 C ATOM 370 O ILE A 27 10.385 9.365 -6.393 1.00 62.13 O ATOM 371 CB ILE A 27 8.041 9.876 -4.007 1.00 31.20 C ATOM 372 CG1 ILE A 27 7.795 10.297 -2.557 1.00 21.34 C ATOM 373 CG2 ILE A 27 8.055 8.359 -4.129 1.00 53.41 C ATOM 374 CD1 ILE A 27 8.820 9.751 -1.587 1.00 43.32 C ATOM 0 H ILE A 27 8.572 12.317 -3.934 1.00 20.23 H new ATOM 0 HA ILE A 27 10.193 10.017 -3.966 1.00 70.02 H new ATOM 0 HB ILE A 27 7.228 10.263 -4.621 1.00 31.20 H new ATOM 0 HG12 ILE A 27 7.795 11.385 -2.498 1.00 21.34 H new ATOM 0 HG13 ILE A 27 6.804 9.961 -2.253 1.00 21.34 H new ATOM 0 HG21 ILE A 27 7.110 7.956 -3.764 1.00 53.41 H new ATOM 0 HG22 ILE A 27 8.189 8.079 -5.174 1.00 53.41 H new ATOM 0 HG23 ILE A 27 8.875 7.954 -3.537 1.00 53.41 H new ATOM 0 HD11 ILE A 27 8.583 10.090 -0.578 1.00 43.32 H new ATOM 0 HD12 ILE A 27 8.805 8.662 -1.617 1.00 43.32 H new ATOM 0 HD13 ILE A 27 9.811 10.108 -1.866 1.00 43.32 H new ATOM 386 N ILE A 28 8.666 10.753 -6.821 1.00 71.42 N ATOM 387 CA ILE A 28 8.705 10.533 -8.262 1.00 11.04 C ATOM 388 C ILE A 28 10.050 10.952 -8.845 1.00 52.34 C ATOM 389 O ILE A 28 10.534 10.355 -9.807 1.00 1.23 O ATOM 390 CB ILE A 28 7.583 11.306 -8.980 1.00 11.14 C ATOM 391 CG1 ILE A 28 6.216 10.883 -8.439 1.00 75.20 C ATOM 392 CG2 ILE A 28 7.659 11.077 -10.482 1.00 31.44 C ATOM 393 CD1 ILE A 28 5.110 11.865 -8.756 1.00 51.23 C ATOM 0 H ILE A 28 7.942 11.401 -6.512 1.00 71.42 H new ATOM 0 HA ILE A 28 8.559 9.465 -8.423 1.00 11.04 H new ATOM 0 HB ILE A 28 7.715 12.371 -8.788 1.00 11.14 H new ATOM 0 HG12 ILE A 28 5.956 9.909 -8.854 1.00 75.20 H new ATOM 0 HG13 ILE A 28 6.284 10.761 -7.358 1.00 75.20 H new ATOM 0 HG21 ILE A 28 6.860 11.630 -10.975 1.00 31.44 H new ATOM 0 HG22 ILE A 28 8.623 11.423 -10.855 1.00 31.44 H new ATOM 0 HG23 ILE A 28 7.549 10.013 -10.694 1.00 31.44 H new ATOM 0 HD11 ILE A 28 4.170 11.500 -8.342 1.00 51.23 H new ATOM 0 HD12 ILE A 28 5.348 12.834 -8.318 1.00 51.23 H new ATOM 0 HD13 ILE A 28 5.014 11.969 -9.837 1.00 51.23 H new ATOM 405 N SER A 29 10.649 11.982 -8.256 1.00 42.14 N ATOM 406 CA SER A 29 11.938 12.483 -8.719 1.00 41.10 C ATOM 407 C SER A 29 12.979 11.368 -8.739 1.00 22.03 C ATOM 408 O SER A 29 13.801 11.287 -9.652 1.00 52.32 O ATOM 409 CB SER A 29 12.416 13.627 -7.822 1.00 62.24 C ATOM 410 OG SER A 29 13.275 14.505 -8.530 1.00 34.22 O ATOM 0 H SER A 29 10.263 12.486 -7.458 1.00 42.14 H new ATOM 0 HA SER A 29 11.811 12.856 -9.735 1.00 41.10 H new ATOM 0 HB2 SER A 29 11.556 14.180 -7.444 1.00 62.24 H new ATOM 0 HB3 SER A 29 12.939 13.221 -6.956 1.00 62.24 H new ATOM 0 HG SER A 29 13.565 15.228 -7.936 1.00 34.22 H new ATOM 416 N ILE A 30 12.938 10.511 -7.724 1.00 75.55 N ATOM 417 CA ILE A 30 13.876 9.399 -7.625 1.00 52.51 C ATOM 418 C ILE A 30 13.492 8.269 -8.574 1.00 51.32 C ATOM 419 O ILE A 30 14.355 7.561 -9.095 1.00 33.34 O ATOM 420 CB ILE A 30 13.945 8.848 -6.189 1.00 33.50 C ATOM 421 CG1 ILE A 30 14.362 9.951 -5.215 1.00 13.13 C ATOM 422 CG2 ILE A 30 14.913 7.677 -6.118 1.00 24.45 C ATOM 423 CD1 ILE A 30 14.037 9.637 -3.771 1.00 52.11 C ATOM 0 H ILE A 30 12.266 10.565 -6.959 1.00 75.55 H new ATOM 0 HA ILE A 30 14.856 9.787 -7.904 1.00 52.51 H new ATOM 0 HB ILE A 30 12.955 8.494 -5.903 1.00 33.50 H new ATOM 0 HG12 ILE A 30 15.435 10.121 -5.309 1.00 13.13 H new ATOM 0 HG13 ILE A 30 13.866 10.880 -5.497 1.00 13.13 H new ATOM 0 HG21 ILE A 30 14.951 7.298 -5.097 1.00 24.45 H new ATOM 0 HG22 ILE A 30 14.576 6.885 -6.787 1.00 24.45 H new ATOM 0 HG23 ILE A 30 15.907 8.008 -6.420 1.00 24.45 H new ATOM 0 HD11 ILE A 30 14.361 10.463 -3.137 1.00 52.11 H new ATOM 0 HD12 ILE A 30 12.962 9.496 -3.662 1.00 52.11 H new ATOM 0 HD13 ILE A 30 14.554 8.726 -3.472 1.00 52.11 H new ATOM 435 N LEU A 31 12.192 8.107 -8.797 1.00 44.10 N ATOM 436 CA LEU A 31 11.693 7.064 -9.686 1.00 30.21 C ATOM 437 C LEU A 31 12.229 7.252 -11.101 1.00 62.35 C ATOM 438 O LEU A 31 12.590 6.286 -11.773 1.00 1.02 O ATOM 439 CB LEU A 31 10.163 7.070 -9.703 1.00 24.22 C ATOM 440 CG LEU A 31 9.477 6.144 -8.697 1.00 44.24 C ATOM 441 CD1 LEU A 31 9.879 4.698 -8.943 1.00 3.23 C ATOM 442 CD2 LEU A 31 9.816 6.560 -7.273 1.00 72.51 C ATOM 0 H LEU A 31 11.465 8.684 -8.375 1.00 44.10 H new ATOM 0 HA LEU A 31 12.043 6.103 -9.310 1.00 30.21 H new ATOM 0 HB2 LEU A 31 9.822 8.089 -9.520 1.00 24.22 H new ATOM 0 HB3 LEU A 31 9.830 6.797 -10.704 1.00 24.22 H new ATOM 0 HG LEU A 31 8.398 6.227 -8.831 1.00 44.24 H new ATOM 0 HD11 LEU A 31 9.382 4.054 -8.218 1.00 3.23 H new ATOM 0 HD12 LEU A 31 9.585 4.405 -9.951 1.00 3.23 H new ATOM 0 HD13 LEU A 31 10.959 4.597 -8.837 1.00 3.23 H new ATOM 0 HD21 LEU A 31 9.320 5.891 -6.570 1.00 72.51 H new ATOM 0 HD22 LEU A 31 10.895 6.506 -7.125 1.00 72.51 H new ATOM 0 HD23 LEU A 31 9.477 7.582 -7.102 1.00 72.51 H new ATOM 454 N GLY A 32 12.280 8.503 -11.548 1.00 64.04 N ATOM 455 CA GLY A 32 12.776 8.795 -12.881 1.00 11.23 C ATOM 456 C GLY A 32 11.927 8.163 -13.966 1.00 45.44 C ATOM 457 O GLY A 32 12.425 7.384 -14.778 1.00 32.00 O ATOM 0 H GLY A 32 11.987 9.319 -11.011 1.00 64.04 H new ATOM 0 HA2 GLY A 32 12.802 9.875 -13.027 1.00 11.23 H new ATOM 0 HA3 GLY A 32 13.801 8.436 -12.971 1.00 11.23 H new ATOM 461 N GLY A 33 10.641 8.499 -13.981 1.00 31.04 N ATOM 462 CA GLY A 33 9.742 7.949 -14.978 1.00 33.52 C ATOM 463 C GLY A 33 8.323 8.461 -14.826 1.00 5.51 C ATOM 464 O GLY A 33 8.032 9.244 -13.921 1.00 60.12 O ATOM 0 H GLY A 33 10.206 9.143 -13.320 1.00 31.04 H new ATOM 0 HA2 GLY A 33 10.111 8.200 -15.973 1.00 33.52 H new ATOM 0 HA3 GLY A 33 9.742 6.862 -14.903 1.00 33.52 H new ATOM 468 N VAL A 34 7.438 8.021 -15.715 1.00 2.55 N ATOM 469 CA VAL A 34 6.043 8.441 -15.676 1.00 15.53 C ATOM 470 C VAL A 34 5.277 7.706 -14.581 1.00 64.34 C ATOM 471 O VAL A 34 4.309 6.995 -14.855 1.00 5.02 O ATOM 472 CB VAL A 34 5.345 8.198 -17.027 1.00 62.53 C ATOM 473 CG1 VAL A 34 5.881 9.151 -18.085 1.00 21.25 C ATOM 474 CG2 VAL A 34 5.521 6.751 -17.464 1.00 21.14 C ATOM 0 H VAL A 34 7.663 7.374 -16.471 1.00 2.55 H new ATOM 0 HA VAL A 34 6.041 9.510 -15.462 1.00 15.53 H new ATOM 0 HB VAL A 34 4.279 8.391 -16.905 1.00 62.53 H new ATOM 0 HG11 VAL A 34 5.376 8.964 -19.033 1.00 21.25 H new ATOM 0 HG12 VAL A 34 5.699 10.180 -17.774 1.00 21.25 H new ATOM 0 HG13 VAL A 34 6.952 8.993 -18.208 1.00 21.25 H new ATOM 0 HG21 VAL A 34 5.022 6.596 -18.420 1.00 21.14 H new ATOM 0 HG22 VAL A 34 6.583 6.529 -17.569 1.00 21.14 H new ATOM 0 HG23 VAL A 34 5.085 6.089 -16.716 1.00 21.14 H new ATOM 484 N THR A 35 5.717 7.881 -13.339 1.00 64.21 N ATOM 485 CA THR A 35 5.075 7.233 -12.202 1.00 50.34 C ATOM 486 C THR A 35 3.917 8.072 -11.674 1.00 74.15 C ATOM 487 O THR A 35 3.325 7.752 -10.643 1.00 41.32 O ATOM 488 CB THR A 35 6.076 6.983 -11.059 1.00 0.53 C ATOM 489 OG1 THR A 35 6.721 8.209 -10.696 1.00 3.21 O ATOM 490 CG2 THR A 35 7.121 5.957 -11.469 1.00 32.53 C ATOM 0 H THR A 35 6.516 8.466 -13.095 1.00 64.21 H new ATOM 0 HA THR A 35 4.694 6.275 -12.557 1.00 50.34 H new ATOM 0 HB THR A 35 5.525 6.595 -10.202 1.00 0.53 H new ATOM 0 HG1 THR A 35 7.617 8.017 -10.348 1.00 3.21 H new ATOM 0 HG21 THR A 35 7.817 5.797 -10.645 1.00 32.53 H new ATOM 0 HG22 THR A 35 6.630 5.016 -11.717 1.00 32.53 H new ATOM 0 HG23 THR A 35 7.667 6.321 -12.339 1.00 32.53 H new ATOM 498 N VAL A 36 3.596 9.147 -12.388 1.00 64.54 N ATOM 499 CA VAL A 36 2.507 10.031 -11.992 1.00 73.44 C ATOM 500 C VAL A 36 1.200 9.260 -11.843 1.00 60.53 C ATOM 501 O VAL A 36 0.525 8.965 -12.829 1.00 21.44 O ATOM 502 CB VAL A 36 2.306 11.166 -13.013 1.00 42.42 C ATOM 503 CG1 VAL A 36 3.399 12.214 -12.868 1.00 64.03 C ATOM 504 CG2 VAL A 36 2.274 10.610 -14.429 1.00 14.23 C ATOM 0 H VAL A 36 4.075 9.426 -13.244 1.00 64.54 H new ATOM 0 HA VAL A 36 2.783 10.462 -11.030 1.00 73.44 H new ATOM 0 HB VAL A 36 1.347 11.645 -12.814 1.00 42.42 H new ATOM 0 HG11 VAL A 36 3.241 13.008 -13.598 1.00 64.03 H new ATOM 0 HG12 VAL A 36 3.370 12.634 -11.862 1.00 64.03 H new ATOM 0 HG13 VAL A 36 4.371 11.752 -13.040 1.00 64.03 H new ATOM 0 HG21 VAL A 36 2.131 11.426 -15.137 1.00 14.23 H new ATOM 0 HG22 VAL A 36 3.216 10.105 -14.643 1.00 14.23 H new ATOM 0 HG23 VAL A 36 1.452 9.900 -14.523 1.00 14.23 H new ATOM 514 N GLY A 37 0.848 8.936 -10.602 1.00 63.24 N ATOM 515 CA GLY A 37 -0.377 8.202 -10.346 1.00 71.23 C ATOM 516 C GLY A 37 -0.489 7.745 -8.905 1.00 40.03 C ATOM 517 O GLY A 37 -1.492 8.007 -8.239 1.00 64.42 O ATOM 0 H GLY A 37 1.390 9.169 -9.770 1.00 63.24 H new ATOM 0 HA2 GLY A 37 -1.232 8.832 -10.592 1.00 71.23 H new ATOM 0 HA3 GLY A 37 -0.421 7.334 -11.004 1.00 71.23 H new ATOM 521 N LEU A 38 0.541 7.059 -8.422 1.00 41.23 N ATOM 522 CA LEU A 38 0.554 6.563 -7.051 1.00 30.15 C ATOM 523 C LEU A 38 0.521 7.717 -6.054 1.00 21.24 C ATOM 524 O LEU A 38 0.198 7.528 -4.881 1.00 13.21 O ATOM 525 CB LEU A 38 1.795 5.702 -6.811 1.00 23.25 C ATOM 526 CG LEU A 38 3.087 6.458 -6.497 1.00 14.40 C ATOM 527 CD1 LEU A 38 4.193 5.489 -6.112 1.00 21.05 C ATOM 528 CD2 LEU A 38 3.510 7.308 -7.687 1.00 35.42 C ATOM 0 H LEU A 38 1.378 6.834 -8.960 1.00 41.23 H new ATOM 0 HA LEU A 38 -0.338 5.954 -6.903 1.00 30.15 H new ATOM 0 HB2 LEU A 38 1.586 5.022 -5.986 1.00 23.25 H new ATOM 0 HB3 LEU A 38 1.963 5.088 -7.696 1.00 23.25 H new ATOM 0 HG LEU A 38 2.902 7.119 -5.651 1.00 14.40 H new ATOM 0 HD11 LEU A 38 5.104 6.045 -5.892 1.00 21.05 H new ATOM 0 HD12 LEU A 38 3.891 4.924 -5.230 1.00 21.05 H new ATOM 0 HD13 LEU A 38 4.378 4.801 -6.937 1.00 21.05 H new ATOM 0 HD21 LEU A 38 4.431 7.839 -7.446 1.00 35.42 H new ATOM 0 HD22 LEU A 38 3.677 6.666 -8.552 1.00 35.42 H new ATOM 0 HD23 LEU A 38 2.725 8.029 -7.917 1.00 35.42 H new ATOM 540 N SER A 39 0.856 8.912 -6.529 1.00 12.34 N ATOM 541 CA SER A 39 0.866 10.097 -5.679 1.00 2.14 C ATOM 542 C SER A 39 -0.492 10.301 -5.014 1.00 70.12 C ATOM 543 O SER A 39 -0.590 10.913 -3.952 1.00 14.42 O ATOM 544 CB SER A 39 1.237 11.335 -6.498 1.00 12.04 C ATOM 545 OG SER A 39 2.295 11.054 -7.397 1.00 25.54 O ATOM 0 H SER A 39 1.124 9.086 -7.498 1.00 12.34 H new ATOM 0 HA SER A 39 1.613 9.948 -4.900 1.00 2.14 H new ATOM 0 HB2 SER A 39 0.366 11.681 -7.054 1.00 12.04 H new ATOM 0 HB3 SER A 39 1.530 12.143 -5.828 1.00 12.04 H new ATOM 0 HG SER A 39 2.124 11.499 -8.253 1.00 25.54 H new ATOM 551 N GLY A 40 -1.539 9.782 -5.649 1.00 64.15 N ATOM 552 CA GLY A 40 -2.878 9.917 -5.107 1.00 24.04 C ATOM 553 C GLY A 40 -3.087 9.075 -3.863 1.00 42.53 C ATOM 554 O GLY A 40 -3.929 9.394 -3.024 1.00 34.51 O ATOM 0 H GLY A 40 -1.483 9.270 -6.530 1.00 64.15 H new ATOM 0 HA2 GLY A 40 -3.067 10.964 -4.869 1.00 24.04 H new ATOM 0 HA3 GLY A 40 -3.605 9.626 -5.865 1.00 24.04 H new ATOM 558 N VAL A 41 -2.319 7.997 -3.745 1.00 31.25 N ATOM 559 CA VAL A 41 -2.425 7.106 -2.595 1.00 5.20 C ATOM 560 C VAL A 41 -1.253 7.301 -1.640 1.00 4.05 C ATOM 561 O VAL A 41 -1.353 7.004 -0.449 1.00 5.32 O ATOM 562 CB VAL A 41 -2.477 5.630 -3.032 1.00 2.05 C ATOM 563 CG1 VAL A 41 -3.705 5.370 -3.891 1.00 2.33 C ATOM 564 CG2 VAL A 41 -1.205 5.250 -3.775 1.00 75.52 C ATOM 0 H VAL A 41 -1.617 7.719 -4.431 1.00 31.25 H new ATOM 0 HA VAL A 41 -3.353 7.358 -2.083 1.00 5.20 H new ATOM 0 HB VAL A 41 -2.549 5.007 -2.140 1.00 2.05 H new ATOM 0 HG11 VAL A 41 -3.725 4.322 -4.190 1.00 2.33 H new ATOM 0 HG12 VAL A 41 -4.604 5.601 -3.320 1.00 2.33 H new ATOM 0 HG13 VAL A 41 -3.668 6.000 -4.780 1.00 2.33 H new ATOM 0 HG21 VAL A 41 -1.258 4.204 -4.077 1.00 75.52 H new ATOM 0 HG22 VAL A 41 -1.099 5.878 -4.660 1.00 75.52 H new ATOM 0 HG23 VAL A 41 -0.345 5.396 -3.122 1.00 75.52 H new ATOM 574 N PHE A 42 -0.142 7.802 -2.169 1.00 44.21 N ATOM 575 CA PHE A 42 1.051 8.037 -1.363 1.00 60.24 C ATOM 576 C PHE A 42 0.766 9.040 -0.250 1.00 4.42 C ATOM 577 O PHE A 42 1.270 8.908 0.866 1.00 21.51 O ATOM 578 CB PHE A 42 2.195 8.545 -2.243 1.00 51.14 C ATOM 579 CG PHE A 42 3.556 8.160 -1.739 1.00 1.14 C ATOM 580 CD1 PHE A 42 4.137 6.961 -2.119 1.00 40.15 C ATOM 581 CD2 PHE A 42 4.255 8.997 -0.884 1.00 10.11 C ATOM 582 CE1 PHE A 42 5.389 6.604 -1.656 1.00 1.22 C ATOM 583 CE2 PHE A 42 5.508 8.646 -0.417 1.00 73.43 C ATOM 584 CZ PHE A 42 6.076 7.448 -0.805 1.00 32.13 C ATOM 0 H PHE A 42 -0.042 8.053 -3.153 1.00 44.21 H new ATOM 0 HA PHE A 42 1.345 7.091 -0.909 1.00 60.24 H new ATOM 0 HB2 PHE A 42 2.067 8.155 -3.253 1.00 51.14 H new ATOM 0 HB3 PHE A 42 2.136 9.631 -2.311 1.00 51.14 H new ATOM 0 HD1 PHE A 42 3.605 6.298 -2.785 1.00 40.15 H new ATOM 0 HD2 PHE A 42 3.816 9.935 -0.579 1.00 10.11 H new ATOM 0 HE1 PHE A 42 5.830 5.666 -1.959 1.00 1.22 H new ATOM 0 HE2 PHE A 42 6.042 9.307 0.250 1.00 73.43 H new ATOM 0 HZ PHE A 42 7.056 7.172 -0.444 1.00 32.13 H new ATOM 594 N THR A 43 -0.045 10.047 -0.561 1.00 60.41 N ATOM 595 CA THR A 43 -0.396 11.074 0.411 1.00 50.11 C ATOM 596 C THR A 43 -1.132 10.474 1.604 1.00 42.34 C ATOM 597 O THR A 43 -0.832 10.793 2.754 1.00 72.21 O ATOM 598 CB THR A 43 -1.275 12.169 -0.222 1.00 41.41 C ATOM 599 OG1 THR A 43 -0.836 12.439 -1.558 1.00 63.41 O ATOM 600 CG2 THR A 43 -1.223 13.448 0.601 1.00 34.43 C ATOM 0 H THR A 43 -0.471 10.173 -1.479 1.00 60.41 H new ATOM 0 HA THR A 43 0.539 11.520 0.751 1.00 50.11 H new ATOM 0 HB THR A 43 -2.304 11.810 -0.243 1.00 41.41 H new ATOM 0 HG1 THR A 43 -1.401 13.135 -1.954 1.00 63.41 H new ATOM 0 HG21 THR A 43 -1.851 14.207 0.134 1.00 34.43 H new ATOM 0 HG22 THR A 43 -1.585 13.247 1.609 1.00 34.43 H new ATOM 0 HG23 THR A 43 -0.195 13.808 0.650 1.00 34.43 H new ATOM 608 N ALA A 44 -2.096 9.604 1.322 1.00 63.14 N ATOM 609 CA ALA A 44 -2.872 8.957 2.372 1.00 54.30 C ATOM 610 C ALA A 44 -2.000 8.023 3.204 1.00 73.14 C ATOM 611 O ALA A 44 -2.218 7.859 4.404 1.00 24.02 O ATOM 612 CB ALA A 44 -4.042 8.194 1.769 1.00 32.52 C ATOM 0 H ALA A 44 -2.358 9.331 0.375 1.00 63.14 H new ATOM 0 HA ALA A 44 -3.260 9.732 3.033 1.00 54.30 H new ATOM 0 HB1 ALA A 44 -4.613 7.716 2.565 1.00 32.52 H new ATOM 0 HB2 ALA A 44 -4.686 8.885 1.225 1.00 32.52 H new ATOM 0 HB3 ALA A 44 -3.666 7.434 1.084 1.00 32.52 H new ATOM 618 N VAL A 45 -1.013 7.411 2.557 1.00 4.44 N ATOM 619 CA VAL A 45 -0.107 6.493 3.238 1.00 50.33 C ATOM 620 C VAL A 45 0.703 7.214 4.310 1.00 73.31 C ATOM 621 O VAL A 45 0.976 6.660 5.375 1.00 71.41 O ATOM 622 CB VAL A 45 0.860 5.820 2.245 1.00 13.24 C ATOM 623 CG1 VAL A 45 1.811 4.886 2.977 1.00 21.31 C ATOM 624 CG2 VAL A 45 0.085 5.072 1.172 1.00 74.43 C ATOM 0 H VAL A 45 -0.820 7.534 1.563 1.00 4.44 H new ATOM 0 HA VAL A 45 -0.725 5.728 3.708 1.00 50.33 H new ATOM 0 HB VAL A 45 1.453 6.595 1.759 1.00 13.24 H new ATOM 0 HG11 VAL A 45 2.487 4.420 2.260 1.00 21.31 H new ATOM 0 HG12 VAL A 45 2.390 5.454 3.705 1.00 21.31 H new ATOM 0 HG13 VAL A 45 1.239 4.114 3.491 1.00 21.31 H new ATOM 0 HG21 VAL A 45 0.783 4.603 0.479 1.00 74.43 H new ATOM 0 HG22 VAL A 45 -0.534 4.305 1.638 1.00 74.43 H new ATOM 0 HG23 VAL A 45 -0.551 5.771 0.628 1.00 74.43 H new ATOM 634 N LYS A 46 1.084 8.453 4.022 1.00 3.40 N ATOM 635 CA LYS A 46 1.862 9.253 4.961 1.00 32.24 C ATOM 636 C LYS A 46 1.193 9.285 6.332 1.00 1.00 C ATOM 637 O LYS A 46 1.826 9.000 7.348 1.00 35.44 O ATOM 638 CB LYS A 46 2.032 10.678 4.431 1.00 14.34 C ATOM 639 CG LYS A 46 3.075 11.486 5.183 1.00 42.41 C ATOM 640 CD LYS A 46 2.989 12.964 4.840 1.00 2.32 C ATOM 641 CE LYS A 46 4.262 13.701 5.227 1.00 45.13 C ATOM 642 NZ LYS A 46 5.279 13.659 4.139 1.00 2.55 N ATOM 0 H LYS A 46 0.867 8.926 3.145 1.00 3.40 H new ATOM 0 HA LYS A 46 2.844 8.792 5.066 1.00 32.24 H new ATOM 0 HB2 LYS A 46 2.309 10.634 3.378 1.00 14.34 H new ATOM 0 HB3 LYS A 46 1.074 11.195 4.488 1.00 14.34 H new ATOM 0 HG2 LYS A 46 2.937 11.352 6.256 1.00 42.41 H new ATOM 0 HG3 LYS A 46 4.070 11.113 4.941 1.00 42.41 H new ATOM 0 HD2 LYS A 46 2.810 13.081 3.771 1.00 2.32 H new ATOM 0 HD3 LYS A 46 2.138 13.409 5.356 1.00 2.32 H new ATOM 0 HE2 LYS A 46 4.024 14.738 5.462 1.00 45.13 H new ATOM 0 HE3 LYS A 46 4.678 13.257 6.131 1.00 45.13 H new ATOM 0 HZ1 LYS A 46 6.132 14.172 4.441 1.00 2.55 H new ATOM 0 HZ2 LYS A 46 5.525 12.670 3.932 1.00 2.55 H new ATOM 0 HZ3 LYS A 46 4.891 14.106 3.284 1.00 2.55 H new ATOM 656 N ALA A 47 -0.089 9.633 6.352 1.00 74.04 N ATOM 657 CA ALA A 47 -0.844 9.699 7.597 1.00 71.32 C ATOM 658 C ALA A 47 -0.942 8.325 8.253 1.00 41.44 C ATOM 659 O ALA A 47 -1.013 8.215 9.476 1.00 1.22 O ATOM 660 CB ALA A 47 -2.233 10.264 7.343 1.00 55.53 C ATOM 0 H ALA A 47 -0.627 9.874 5.520 1.00 74.04 H new ATOM 0 HA ALA A 47 -0.313 10.362 8.280 1.00 71.32 H new ATOM 0 HB1 ALA A 47 -2.785 10.307 8.282 1.00 55.53 H new ATOM 0 HB2 ALA A 47 -2.147 11.267 6.926 1.00 55.53 H new ATOM 0 HB3 ALA A 47 -2.764 9.623 6.639 1.00 55.53 H new ATOM 666 N ALA A 48 -0.946 7.281 7.431 1.00 42.25 N ATOM 667 CA ALA A 48 -1.034 5.915 7.931 1.00 3.13 C ATOM 668 C ALA A 48 0.104 5.611 8.901 1.00 53.54 C ATOM 669 O ALA A 48 -0.098 4.954 9.922 1.00 1.21 O ATOM 670 CB ALA A 48 -1.022 4.927 6.774 1.00 4.12 C ATOM 0 H ALA A 48 -0.889 7.355 6.415 1.00 42.25 H new ATOM 0 HA ALA A 48 -1.975 5.812 8.472 1.00 3.13 H new ATOM 0 HB1 ALA A 48 -1.088 3.911 7.163 1.00 4.12 H new ATOM 0 HB2 ALA A 48 -1.872 5.122 6.120 1.00 4.12 H new ATOM 0 HB3 ALA A 48 -0.097 5.040 6.209 1.00 4.12 H new ATOM 676 N ILE A 49 1.298 6.093 8.573 1.00 0.25 N ATOM 677 CA ILE A 49 2.467 5.873 9.416 1.00 11.00 C ATOM 678 C ILE A 49 2.225 6.379 10.834 1.00 23.43 C ATOM 679 O ILE A 49 2.356 5.630 11.802 1.00 63.42 O ATOM 680 CB ILE A 49 3.715 6.569 8.841 1.00 73.43 C ATOM 681 CG1 ILE A 49 4.005 6.057 7.428 1.00 13.31 C ATOM 682 CG2 ILE A 49 4.914 6.341 9.749 1.00 51.22 C ATOM 683 CD1 ILE A 49 5.126 6.800 6.735 1.00 73.40 C ATOM 0 H ILE A 49 1.481 6.638 7.730 1.00 0.25 H new ATOM 0 HA ILE A 49 2.640 4.797 9.441 1.00 11.00 H new ATOM 0 HB ILE A 49 3.523 7.641 8.787 1.00 73.43 H new ATOM 0 HG12 ILE A 49 4.259 4.998 7.479 1.00 13.31 H new ATOM 0 HG13 ILE A 49 3.099 6.139 6.827 1.00 13.31 H new ATOM 0 HG21 ILE A 49 5.788 6.839 9.329 1.00 51.22 H new ATOM 0 HG22 ILE A 49 4.704 6.749 10.738 1.00 51.22 H new ATOM 0 HG23 ILE A 49 5.110 5.272 9.831 1.00 51.22 H new ATOM 0 HD11 ILE A 49 5.277 6.384 5.739 1.00 73.40 H new ATOM 0 HD12 ILE A 49 4.866 7.855 6.652 1.00 73.40 H new ATOM 0 HD13 ILE A 49 6.044 6.696 7.314 1.00 73.40 H new ATOM 695 N ALA A 50 1.870 7.654 10.949 1.00 0.14 N ATOM 696 CA ALA A 50 1.606 8.259 12.249 1.00 50.21 C ATOM 697 C ALA A 50 0.379 7.635 12.906 1.00 44.31 C ATOM 698 O ALA A 50 0.237 7.659 14.129 1.00 42.13 O ATOM 699 CB ALA A 50 1.422 9.763 12.104 1.00 61.55 C ATOM 0 H ALA A 50 1.758 8.288 10.158 1.00 0.14 H new ATOM 0 HA ALA A 50 2.466 8.069 12.892 1.00 50.21 H new ATOM 0 HB1 ALA A 50 1.226 10.202 13.082 1.00 61.55 H new ATOM 0 HB2 ALA A 50 2.328 10.202 11.685 1.00 61.55 H new ATOM 0 HB3 ALA A 50 0.581 9.964 11.441 1.00 61.55 H new ATOM 705 N LYS A 51 -0.506 7.078 12.087 1.00 64.34 N ATOM 706 CA LYS A 51 -1.721 6.447 12.587 1.00 21.53 C ATOM 707 C LYS A 51 -1.418 5.072 13.175 1.00 64.12 C ATOM 708 O LYS A 51 -2.056 4.644 14.136 1.00 21.00 O ATOM 709 CB LYS A 51 -2.753 6.317 11.464 1.00 25.35 C ATOM 710 CG LYS A 51 -4.156 6.016 11.960 1.00 34.21 C ATOM 711 CD LYS A 51 -4.871 7.278 12.412 1.00 3.51 C ATOM 712 CE LYS A 51 -5.427 8.058 11.230 1.00 21.31 C ATOM 713 NZ LYS A 51 -6.343 9.147 11.666 1.00 13.50 N ATOM 0 H LYS A 51 -0.404 7.051 11.072 1.00 64.34 H new ATOM 0 HA LYS A 51 -2.130 7.078 13.376 1.00 21.53 H new ATOM 0 HB2 LYS A 51 -2.771 7.243 10.889 1.00 25.35 H new ATOM 0 HB3 LYS A 51 -2.439 5.525 10.784 1.00 25.35 H new ATOM 0 HG2 LYS A 51 -4.729 5.537 11.166 1.00 34.21 H new ATOM 0 HG3 LYS A 51 -4.106 5.309 12.788 1.00 34.21 H new ATOM 0 HD2 LYS A 51 -5.683 7.014 13.090 1.00 3.51 H new ATOM 0 HD3 LYS A 51 -4.180 7.908 12.972 1.00 3.51 H new ATOM 0 HE2 LYS A 51 -4.604 8.484 10.656 1.00 21.31 H new ATOM 0 HE3 LYS A 51 -5.961 7.379 10.565 1.00 21.31 H new ATOM 0 HZ1 LYS A 51 -6.701 9.655 10.832 1.00 13.50 H new ATOM 0 HZ2 LYS A 51 -7.142 8.739 12.192 1.00 13.50 H new ATOM 0 HZ3 LYS A 51 -5.827 9.810 12.280 1.00 13.50 H new ATOM 727 N GLN A 52 -0.440 4.387 12.591 1.00 25.34 N ATOM 728 CA GLN A 52 -0.052 3.061 13.059 1.00 72.12 C ATOM 729 C GLN A 52 1.466 2.916 13.087 1.00 33.25 C ATOM 730 O GLN A 52 2.078 2.903 14.154 1.00 1.24 O ATOM 731 CB GLN A 52 -0.663 1.982 12.162 1.00 4.40 C ATOM 732 CG GLN A 52 -2.045 1.533 12.606 1.00 73.00 C ATOM 733 CD GLN A 52 -2.007 0.677 13.856 1.00 31.25 C ATOM 734 OE1 GLN A 52 -0.976 0.575 14.522 1.00 60.23 O ATOM 735 NE2 GLN A 52 -3.134 0.056 14.184 1.00 73.45 N ATOM 0 H GLN A 52 0.098 4.728 11.794 1.00 25.34 H new ATOM 0 HA GLN A 52 -0.429 2.937 14.074 1.00 72.12 H new ATOM 0 HB2 GLN A 52 -0.724 2.361 11.142 1.00 4.40 H new ATOM 0 HB3 GLN A 52 0.002 1.118 12.142 1.00 4.40 H new ATOM 0 HG2 GLN A 52 -2.666 2.410 12.789 1.00 73.00 H new ATOM 0 HG3 GLN A 52 -2.517 0.971 11.800 1.00 73.00 H new ATOM 0 HE21 GLN A 52 -3.965 0.168 13.604 1.00 73.45 H new ATOM 0 HE22 GLN A 52 -3.168 -0.533 15.016 1.00 73.45 H new ATOM 744 N GLY A 53 2.067 2.806 11.907 1.00 64.02 N ATOM 745 CA GLY A 53 3.509 2.663 11.819 1.00 31.44 C ATOM 746 C GLY A 53 3.986 2.463 10.395 1.00 43.04 C ATOM 747 O GLY A 53 3.242 1.969 9.547 1.00 30.12 O ATOM 0 H GLY A 53 1.582 2.813 11.010 1.00 64.02 H new ATOM 0 HA2 GLY A 53 3.985 3.550 12.237 1.00 31.44 H new ATOM 0 HA3 GLY A 53 3.825 1.815 12.427 1.00 31.44 H new ATOM 751 N ILE A 54 5.230 2.849 10.129 1.00 13.24 N ATOM 752 CA ILE A 54 5.804 2.710 8.797 1.00 5.31 C ATOM 753 C ILE A 54 5.640 1.288 8.273 1.00 30.20 C ATOM 754 O ILE A 54 5.435 1.074 7.078 1.00 41.11 O ATOM 755 CB ILE A 54 7.300 3.079 8.788 1.00 53.12 C ATOM 756 CG1 ILE A 54 8.040 2.327 9.896 1.00 72.01 C ATOM 757 CG2 ILE A 54 7.476 4.581 8.951 1.00 13.42 C ATOM 758 CD1 ILE A 54 9.522 2.624 9.941 1.00 24.53 C ATOM 0 H ILE A 54 5.859 3.260 10.819 1.00 13.24 H new ATOM 0 HA ILE A 54 5.264 3.398 8.147 1.00 5.31 H new ATOM 0 HB ILE A 54 7.726 2.785 7.829 1.00 53.12 H new ATOM 0 HG12 ILE A 54 7.597 2.585 10.858 1.00 72.01 H new ATOM 0 HG13 ILE A 54 7.896 1.256 9.756 1.00 72.01 H new ATOM 0 HG21 ILE A 54 8.538 4.826 8.943 1.00 13.42 H new ATOM 0 HG22 ILE A 54 6.978 5.097 8.130 1.00 13.42 H new ATOM 0 HG23 ILE A 54 7.038 4.898 9.897 1.00 13.42 H new ATOM 0 HD11 ILE A 54 9.982 2.057 10.750 1.00 24.53 H new ATOM 0 HD12 ILE A 54 9.979 2.340 8.993 1.00 24.53 H new ATOM 0 HD13 ILE A 54 9.674 3.690 10.112 1.00 24.53 H new ATOM 770 N LYS A 55 5.729 0.317 9.175 1.00 23.35 N ATOM 771 CA LYS A 55 5.587 -1.087 8.806 1.00 4.25 C ATOM 772 C LYS A 55 4.265 -1.329 8.087 1.00 74.14 C ATOM 773 O LYS A 55 4.218 -2.014 7.064 1.00 4.24 O ATOM 774 CB LYS A 55 5.673 -1.974 10.051 1.00 50.33 C ATOM 775 CG LYS A 55 4.702 -1.576 11.149 1.00 70.20 C ATOM 776 CD LYS A 55 5.040 -2.256 12.465 1.00 2.12 C ATOM 777 CE LYS A 55 4.635 -3.722 12.456 1.00 42.13 C ATOM 778 NZ LYS A 55 4.923 -4.385 13.758 1.00 74.24 N ATOM 0 H LYS A 55 5.899 0.476 10.168 1.00 23.35 H new ATOM 0 HA LYS A 55 6.401 -1.343 8.128 1.00 4.25 H new ATOM 0 HB2 LYS A 55 5.480 -3.008 9.764 1.00 50.33 H new ATOM 0 HB3 LYS A 55 6.689 -1.936 10.444 1.00 50.33 H new ATOM 0 HG2 LYS A 55 4.724 -0.494 11.281 1.00 70.20 H new ATOM 0 HG3 LYS A 55 3.687 -1.840 10.852 1.00 70.20 H new ATOM 0 HD2 LYS A 55 6.111 -2.175 12.653 1.00 2.12 H new ATOM 0 HD3 LYS A 55 4.533 -1.742 13.282 1.00 2.12 H new ATOM 0 HE2 LYS A 55 3.571 -3.803 12.235 1.00 42.13 H new ATOM 0 HE3 LYS A 55 5.167 -4.241 11.659 1.00 42.13 H new ATOM 0 HZ1 LYS A 55 4.633 -5.383 13.711 1.00 74.24 H new ATOM 0 HZ2 LYS A 55 5.942 -4.330 13.958 1.00 74.24 H new ATOM 0 HZ3 LYS A 55 4.395 -3.906 14.516 1.00 74.24 H new ATOM 792 N LYS A 56 3.191 -0.762 8.625 1.00 35.14 N ATOM 793 CA LYS A 56 1.867 -0.914 8.034 1.00 54.44 C ATOM 794 C LYS A 56 1.837 -0.352 6.616 1.00 60.14 C ATOM 795 O LYS A 56 1.175 -0.900 5.735 1.00 63.23 O ATOM 796 CB LYS A 56 0.817 -0.208 8.895 1.00 74.11 C ATOM 797 CG LYS A 56 0.419 -0.993 10.133 1.00 54.30 C ATOM 798 CD LYS A 56 -0.412 -2.214 9.776 1.00 23.20 C ATOM 799 CE LYS A 56 -1.900 -1.899 9.785 1.00 44.20 C ATOM 800 NZ LYS A 56 -2.427 -1.749 11.170 1.00 65.03 N ATOM 0 H LYS A 56 3.212 -0.192 9.471 1.00 35.14 H new ATOM 0 HA LYS A 56 1.636 -1.978 7.990 1.00 54.44 H new ATOM 0 HB2 LYS A 56 1.203 0.764 9.200 1.00 74.11 H new ATOM 0 HB3 LYS A 56 -0.071 -0.023 8.291 1.00 74.11 H new ATOM 0 HG2 LYS A 56 1.314 -1.306 10.670 1.00 54.30 H new ATOM 0 HG3 LYS A 56 -0.148 -0.350 10.806 1.00 54.30 H new ATOM 0 HD2 LYS A 56 -0.122 -2.577 8.790 1.00 23.20 H new ATOM 0 HD3 LYS A 56 -0.205 -3.016 10.484 1.00 23.20 H new ATOM 0 HE2 LYS A 56 -2.080 -0.980 9.226 1.00 44.20 H new ATOM 0 HE3 LYS A 56 -2.443 -2.694 9.274 1.00 44.20 H new ATOM 0 HZ1 LYS A 56 -3.154 -1.006 11.186 1.00 65.03 H new ATOM 0 HZ2 LYS A 56 -2.845 -2.649 11.482 1.00 65.03 H new ATOM 0 HZ3 LYS A 56 -1.650 -1.488 11.811 1.00 65.03 H new ATOM 814 N ALA A 57 2.559 0.743 6.403 1.00 42.05 N ATOM 815 CA ALA A 57 2.618 1.376 5.091 1.00 60.02 C ATOM 816 C ALA A 57 3.090 0.391 4.027 1.00 43.13 C ATOM 817 O ALA A 57 2.672 0.464 2.871 1.00 72.01 O ATOM 818 CB ALA A 57 3.533 2.591 5.132 1.00 61.14 C ATOM 0 H ALA A 57 3.111 1.210 7.122 1.00 42.05 H new ATOM 0 HA ALA A 57 1.612 1.701 4.826 1.00 60.02 H new ATOM 0 HB1 ALA A 57 3.568 3.054 4.146 1.00 61.14 H new ATOM 0 HB2 ALA A 57 3.151 3.310 5.857 1.00 61.14 H new ATOM 0 HB3 ALA A 57 4.537 2.281 5.423 1.00 61.14 H new ATOM 824 N ILE A 58 3.964 -0.528 4.424 1.00 51.12 N ATOM 825 CA ILE A 58 4.492 -1.527 3.503 1.00 22.25 C ATOM 826 C ILE A 58 3.367 -2.325 2.853 1.00 50.31 C ATOM 827 O ILE A 58 3.249 -2.364 1.629 1.00 41.25 O ATOM 828 CB ILE A 58 5.449 -2.500 4.217 1.00 3.14 C ATOM 829 CG1 ILE A 58 6.577 -1.727 4.905 1.00 62.54 C ATOM 830 CG2 ILE A 58 6.016 -3.507 3.228 1.00 60.01 C ATOM 831 CD1 ILE A 58 7.477 -0.987 3.940 1.00 2.24 C ATOM 0 H ILE A 58 4.321 -0.601 5.377 1.00 51.12 H new ATOM 0 HA ILE A 58 5.043 -0.986 2.733 1.00 22.25 H new ATOM 0 HB ILE A 58 4.890 -3.044 4.978 1.00 3.14 H new ATOM 0 HG12 ILE A 58 6.143 -1.013 5.605 1.00 62.54 H new ATOM 0 HG13 ILE A 58 7.179 -2.422 5.490 1.00 62.54 H new ATOM 0 HG21 ILE A 58 6.690 -4.187 3.748 1.00 60.01 H new ATOM 0 HG22 ILE A 58 5.201 -4.076 2.780 1.00 60.01 H new ATOM 0 HG23 ILE A 58 6.564 -2.981 2.446 1.00 60.01 H new ATOM 0 HD11 ILE A 58 8.253 -0.462 4.496 1.00 2.24 H new ATOM 0 HD12 ILE A 58 7.939 -1.698 3.255 1.00 2.24 H new ATOM 0 HD13 ILE A 58 6.888 -0.267 3.372 1.00 2.24 H new ATOM 843 N GLN A 59 2.542 -2.957 3.681 1.00 60.41 N ATOM 844 CA GLN A 59 1.425 -3.753 3.186 1.00 61.14 C ATOM 845 C GLN A 59 0.526 -2.922 2.276 1.00 34.15 C ATOM 846 O GLN A 59 -0.106 -3.450 1.360 1.00 14.33 O ATOM 847 CB GLN A 59 0.612 -4.312 4.354 1.00 30.43 C ATOM 848 CG GLN A 59 1.366 -5.339 5.184 1.00 3.53 C ATOM 849 CD GLN A 59 0.792 -5.498 6.578 1.00 0.32 C ATOM 850 OE1 GLN A 59 -0.408 -5.321 6.792 1.00 43.31 O ATOM 851 NE2 GLN A 59 1.648 -5.834 7.536 1.00 13.25 N ATOM 0 H GLN A 59 2.626 -2.933 4.697 1.00 60.41 H new ATOM 0 HA GLN A 59 1.831 -4.582 2.606 1.00 61.14 H new ATOM 0 HB2 GLN A 59 0.306 -3.489 5.000 1.00 30.43 H new ATOM 0 HB3 GLN A 59 -0.299 -4.768 3.966 1.00 30.43 H new ATOM 0 HG2 GLN A 59 1.342 -6.302 4.673 1.00 3.53 H new ATOM 0 HG3 GLN A 59 2.413 -5.043 5.258 1.00 3.53 H new ATOM 0 HE21 GLN A 59 2.634 -5.971 7.314 1.00 13.25 H new ATOM 0 HE22 GLN A 59 1.319 -5.955 8.494 1.00 13.25 H new ATOM 860 N LEU A 60 0.472 -1.620 2.536 1.00 60.35 N ATOM 861 CA LEU A 60 -0.351 -0.715 1.741 1.00 61.35 C ATOM 862 C LEU A 60 0.167 -0.624 0.309 1.00 45.21 C ATOM 863 O LEU A 60 -0.606 -0.681 -0.647 1.00 1.41 O ATOM 864 CB LEU A 60 -0.374 0.676 2.376 1.00 32.24 C ATOM 865 CG LEU A 60 -1.735 1.162 2.878 1.00 25.30 C ATOM 866 CD1 LEU A 60 -2.293 0.203 3.918 1.00 14.21 C ATOM 867 CD2 LEU A 60 -1.621 2.567 3.451 1.00 23.34 C ATOM 0 H LEU A 60 0.988 -1.168 3.291 1.00 60.35 H new ATOM 0 HA LEU A 60 -1.365 -1.113 1.716 1.00 61.35 H new ATOM 0 HB2 LEU A 60 0.323 0.683 3.214 1.00 32.24 H new ATOM 0 HB3 LEU A 60 -0.001 1.394 1.645 1.00 32.24 H new ATOM 0 HG LEU A 60 -2.424 1.191 2.034 1.00 25.30 H new ATOM 0 HD11 LEU A 60 -3.261 0.565 4.264 1.00 14.21 H new ATOM 0 HD12 LEU A 60 -2.412 -0.786 3.475 1.00 14.21 H new ATOM 0 HD13 LEU A 60 -1.606 0.142 4.762 1.00 14.21 H new ATOM 0 HD21 LEU A 60 -2.598 2.897 3.803 1.00 23.34 H new ATOM 0 HD22 LEU A 60 -0.917 2.564 4.283 1.00 23.34 H new ATOM 0 HD23 LEU A 60 -1.266 3.248 2.677 1.00 23.34 H new