USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 45 LYS NZ :NH3+ -162:sc= 0.217 (180deg=-0.00693) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.192 K(o=0.41,f=-0.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.016) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.407 (180deg=-1.02) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 25 ASN : amide:sc= 0.0423 X(o=0.042,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc=-0.00817 (180deg=-0.132) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= 0.0406 F(o=-0.7,f=0.041) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.586 -0.297 -2.081 1.00 14.41 N ATOM 19 CA ALA A 2 4.930 -0.850 -1.974 1.00 33.43 C ATOM 20 C ALA A 2 5.910 0.188 -1.439 1.00 21.24 C ATOM 21 O ALA A 2 6.535 0.919 -2.206 1.00 24.43 O ATOM 22 CB ALA A 2 5.395 -1.372 -3.325 1.00 42.42 C ATOM 0 HA ALA A 2 4.900 -1.680 -1.268 1.00 33.43 H new ATOM 0 HB1 ALA A 2 6.400 -1.782 -3.230 1.00 42.42 H new ATOM 0 HB2 ALA A 2 4.715 -2.153 -3.667 1.00 42.42 H new ATOM 0 HB3 ALA A 2 5.403 -0.556 -4.047 1.00 42.42 H new ATOM 28 N GLY A 3 6.039 0.248 -0.117 1.00 30.45 N ATOM 29 CA GLY A 3 6.945 1.200 0.498 1.00 14.52 C ATOM 30 C GLY A 3 8.399 0.891 0.204 1.00 20.34 C ATOM 31 O GLY A 3 9.240 1.790 0.178 1.00 73.22 O ATOM 0 H GLY A 3 5.532 -0.346 0.539 1.00 30.45 H new ATOM 0 HA2 GLY A 3 6.711 2.203 0.141 1.00 14.52 H new ATOM 0 HA3 GLY A 3 6.788 1.201 1.577 1.00 14.52 H new ATOM 35 N PHE A 4 8.698 -0.385 -0.015 1.00 71.43 N ATOM 36 CA PHE A 4 10.062 -0.812 -0.306 1.00 33.11 C ATOM 37 C PHE A 4 10.656 0.006 -1.449 1.00 75.30 C ATOM 38 O PHE A 4 11.623 0.745 -1.262 1.00 13.23 O ATOM 39 CB PHE A 4 10.088 -2.300 -0.661 1.00 24.22 C ATOM 40 CG PHE A 4 11.423 -2.773 -1.161 1.00 23.31 C ATOM 41 CD1 PHE A 4 12.451 -3.053 -0.274 1.00 52.33 C ATOM 42 CD2 PHE A 4 11.651 -2.938 -2.518 1.00 32.23 C ATOM 43 CE1 PHE A 4 13.680 -3.489 -0.731 1.00 44.41 C ATOM 44 CE2 PHE A 4 12.878 -3.374 -2.980 1.00 60.23 C ATOM 45 CZ PHE A 4 13.894 -3.649 -2.086 1.00 44.51 C ATOM 0 H PHE A 4 8.014 -1.142 0.003 1.00 71.43 H new ATOM 0 HA PHE A 4 10.666 -0.648 0.586 1.00 33.11 H new ATOM 0 HB2 PHE A 4 9.812 -2.880 0.219 1.00 24.22 H new ATOM 0 HB3 PHE A 4 9.333 -2.497 -1.422 1.00 24.22 H new ATOM 0 HD1 PHE A 4 12.289 -2.929 0.787 1.00 52.33 H new ATOM 0 HD2 PHE A 4 10.861 -2.723 -3.222 1.00 32.23 H new ATOM 0 HE1 PHE A 4 14.472 -3.704 -0.029 1.00 44.41 H new ATOM 0 HE2 PHE A 4 13.042 -3.500 -4.040 1.00 60.23 H new ATOM 0 HZ PHE A 4 14.854 -3.989 -2.446 1.00 44.51 H new ATOM 55 N LEU A 5 10.070 -0.133 -2.634 1.00 4.14 N ATOM 56 CA LEU A 5 10.541 0.592 -3.809 1.00 11.22 C ATOM 57 C LEU A 5 10.634 2.088 -3.525 1.00 33.12 C ATOM 58 O LEU A 5 11.453 2.793 -4.114 1.00 55.45 O ATOM 59 CB LEU A 5 9.606 0.344 -4.994 1.00 20.52 C ATOM 60 CG LEU A 5 9.745 -1.013 -5.686 1.00 24.05 C ATOM 61 CD1 LEU A 5 8.376 -1.599 -5.993 1.00 11.24 C ATOM 62 CD2 LEU A 5 10.568 -0.880 -6.959 1.00 25.54 C ATOM 0 H LEU A 5 9.269 -0.740 -2.806 1.00 4.14 H new ATOM 0 HA LEU A 5 11.537 0.225 -4.057 1.00 11.22 H new ATOM 0 HB2 LEU A 5 8.578 0.449 -4.648 1.00 20.52 H new ATOM 0 HB3 LEU A 5 9.775 1.126 -5.734 1.00 20.52 H new ATOM 0 HG LEU A 5 10.264 -1.692 -5.010 1.00 24.05 H new ATOM 0 HD11 LEU A 5 8.495 -2.564 -6.485 1.00 11.24 H new ATOM 0 HD12 LEU A 5 7.820 -1.731 -5.065 1.00 11.24 H new ATOM 0 HD13 LEU A 5 7.829 -0.922 -6.650 1.00 11.24 H new ATOM 0 HD21 LEU A 5 10.657 -1.855 -7.438 1.00 25.54 H new ATOM 0 HD22 LEU A 5 10.076 -0.185 -7.639 1.00 25.54 H new ATOM 0 HD23 LEU A 5 11.561 -0.505 -6.713 1.00 25.54 H new ATOM 74 N LYS A 6 9.790 2.566 -2.616 1.00 64.30 N ATOM 75 CA LYS A 6 9.778 3.977 -2.250 1.00 5.02 C ATOM 76 C LYS A 6 10.995 4.329 -1.399 1.00 72.31 C ATOM 77 O LYS A 6 11.580 5.401 -1.548 1.00 51.51 O ATOM 78 CB LYS A 6 8.495 4.317 -1.489 1.00 20.34 C ATOM 79 CG LYS A 6 7.624 5.343 -2.192 1.00 41.12 C ATOM 80 CD LYS A 6 6.876 4.730 -3.364 1.00 51.00 C ATOM 81 CE LYS A 6 5.773 5.651 -3.864 1.00 64.34 C ATOM 82 NZ LYS A 6 4.485 5.408 -3.158 1.00 71.13 N ATOM 0 H LYS A 6 9.105 1.996 -2.119 1.00 64.30 H new ATOM 0 HA LYS A 6 9.816 4.565 -3.167 1.00 5.02 H new ATOM 0 HB2 LYS A 6 7.918 3.404 -1.340 1.00 20.34 H new ATOM 0 HB3 LYS A 6 8.758 4.693 -0.500 1.00 20.34 H new ATOM 0 HG2 LYS A 6 6.910 5.763 -1.483 1.00 41.12 H new ATOM 0 HG3 LYS A 6 8.244 6.167 -2.546 1.00 41.12 H new ATOM 0 HD2 LYS A 6 7.574 4.523 -4.175 1.00 51.00 H new ATOM 0 HD3 LYS A 6 6.446 3.775 -3.063 1.00 51.00 H new ATOM 0 HE2 LYS A 6 6.075 6.689 -3.722 1.00 64.34 H new ATOM 0 HE3 LYS A 6 5.634 5.503 -4.935 1.00 64.34 H new ATOM 0 HZ1 LYS A 6 3.759 6.055 -3.527 1.00 71.13 H new ATOM 0 HZ2 LYS A 6 4.184 4.425 -3.314 1.00 71.13 H new ATOM 0 HZ3 LYS A 6 4.611 5.574 -2.139 1.00 71.13 H new ATOM 96 N VAL A 7 11.371 3.417 -0.508 1.00 3.45 N ATOM 97 CA VAL A 7 12.520 3.630 0.365 1.00 13.41 C ATOM 98 C VAL A 7 13.808 3.156 -0.297 1.00 24.52 C ATOM 99 O VAL A 7 14.899 3.330 0.247 1.00 61.22 O ATOM 100 CB VAL A 7 12.346 2.899 1.710 1.00 44.15 C ATOM 101 CG1 VAL A 7 11.131 3.431 2.454 1.00 70.42 C ATOM 102 CG2 VAL A 7 12.232 1.398 1.488 1.00 2.44 C ATOM 0 H VAL A 7 10.897 2.524 -0.372 1.00 3.45 H new ATOM 0 HA VAL A 7 12.584 4.702 0.549 1.00 13.41 H new ATOM 0 HB VAL A 7 13.227 3.087 2.323 1.00 44.15 H new ATOM 0 HG11 VAL A 7 11.024 2.903 3.401 1.00 70.42 H new ATOM 0 HG12 VAL A 7 11.259 4.496 2.645 1.00 70.42 H new ATOM 0 HG13 VAL A 7 10.237 3.276 1.849 1.00 70.42 H new ATOM 0 HG21 VAL A 7 12.110 0.896 2.448 1.00 2.44 H new ATOM 0 HG22 VAL A 7 11.369 1.188 0.856 1.00 2.44 H new ATOM 0 HG23 VAL A 7 13.136 1.033 1.000 1.00 2.44 H new ATOM 112 N VAL A 8 13.675 2.554 -1.475 1.00 4.41 N ATOM 113 CA VAL A 8 14.829 2.055 -2.213 1.00 45.20 C ATOM 114 C VAL A 8 15.177 2.976 -3.377 1.00 63.13 C ATOM 115 O VAL A 8 16.318 3.003 -3.840 1.00 15.54 O ATOM 116 CB VAL A 8 14.579 0.635 -2.753 1.00 74.23 C ATOM 117 CG1 VAL A 8 15.767 0.158 -3.574 1.00 22.21 C ATOM 118 CG2 VAL A 8 14.289 -0.326 -1.610 1.00 65.20 C ATOM 0 H VAL A 8 12.779 2.400 -1.938 1.00 4.41 H new ATOM 0 HA VAL A 8 15.664 2.027 -1.513 1.00 45.20 H new ATOM 0 HB VAL A 8 13.706 0.662 -3.405 1.00 74.23 H new ATOM 0 HG11 VAL A 8 15.571 -0.847 -3.947 1.00 22.21 H new ATOM 0 HG12 VAL A 8 15.922 0.833 -4.415 1.00 22.21 H new ATOM 0 HG13 VAL A 8 16.660 0.146 -2.949 1.00 22.21 H new ATOM 0 HG21 VAL A 8 14.115 -1.325 -2.010 1.00 65.20 H new ATOM 0 HG22 VAL A 8 15.141 -0.351 -0.930 1.00 65.20 H new ATOM 0 HG23 VAL A 8 13.403 0.008 -1.070 1.00 65.20 H new ATOM 128 N GLN A 9 14.187 3.728 -3.846 1.00 11.20 N ATOM 129 CA GLN A 9 14.389 4.651 -4.957 1.00 71.51 C ATOM 130 C GLN A 9 15.311 5.796 -4.553 1.00 14.31 C ATOM 131 O GLN A 9 16.030 6.351 -5.384 1.00 44.14 O ATOM 132 CB GLN A 9 13.047 5.205 -5.438 1.00 13.15 C ATOM 133 CG GLN A 9 12.334 4.299 -6.428 1.00 53.35 C ATOM 134 CD GLN A 9 12.692 4.612 -7.868 1.00 1.32 C ATOM 135 OE1 GLN A 9 13.176 3.749 -8.601 1.00 54.30 O ATOM 136 NE2 GLN A 9 12.456 5.852 -8.281 1.00 2.23 N ATOM 0 H GLN A 9 13.237 3.717 -3.474 1.00 11.20 H new ATOM 0 HA GLN A 9 14.860 4.101 -5.772 1.00 71.51 H new ATOM 0 HB2 GLN A 9 12.400 5.367 -4.576 1.00 13.15 H new ATOM 0 HB3 GLN A 9 13.210 6.178 -5.901 1.00 13.15 H new ATOM 0 HG2 GLN A 9 12.587 3.261 -6.212 1.00 53.35 H new ATOM 0 HG3 GLN A 9 11.257 4.399 -6.295 1.00 53.35 H new ATOM 0 HE21 GLN A 9 12.054 6.535 -7.639 1.00 2.23 H new ATOM 0 HE22 GLN A 9 12.677 6.121 -9.240 1.00 2.23 H new ATOM 145 N LEU A 10 15.284 6.147 -3.272 1.00 33.32 N ATOM 146 CA LEU A 10 16.117 7.228 -2.757 1.00 20.45 C ATOM 147 C LEU A 10 17.582 6.808 -2.704 1.00 25.41 C ATOM 148 O LEU A 10 18.483 7.644 -2.788 1.00 54.22 O ATOM 149 CB LEU A 10 15.643 7.643 -1.363 1.00 4.04 C ATOM 150 CG LEU A 10 14.447 8.595 -1.316 1.00 64.31 C ATOM 151 CD1 LEU A 10 14.767 9.889 -2.047 1.00 52.41 C ATOM 152 CD2 LEU A 10 13.215 7.932 -1.915 1.00 1.15 C ATOM 0 H LEU A 10 14.694 5.699 -2.571 1.00 33.32 H new ATOM 0 HA LEU A 10 16.026 8.078 -3.433 1.00 20.45 H new ATOM 0 HB2 LEU A 10 15.387 6.742 -0.805 1.00 4.04 H new ATOM 0 HB3 LEU A 10 16.477 8.114 -0.843 1.00 4.04 H new ATOM 0 HG LEU A 10 14.236 8.833 -0.273 1.00 64.31 H new ATOM 0 HD11 LEU A 10 13.905 10.554 -2.003 1.00 52.41 H new ATOM 0 HD12 LEU A 10 15.622 10.372 -1.574 1.00 52.41 H new ATOM 0 HD13 LEU A 10 15.004 9.670 -3.088 1.00 52.41 H new ATOM 0 HD21 LEU A 10 12.373 8.623 -1.873 1.00 1.15 H new ATOM 0 HD22 LEU A 10 13.414 7.665 -2.953 1.00 1.15 H new ATOM 0 HD23 LEU A 10 12.974 7.033 -1.348 1.00 1.15 H new ATOM 164 N LEU A 11 17.815 5.507 -2.566 1.00 61.03 N ATOM 165 CA LEU A 11 19.172 4.975 -2.505 1.00 31.30 C ATOM 166 C LEU A 11 19.886 5.148 -3.842 1.00 11.23 C ATOM 167 O LEU A 11 21.104 4.996 -3.931 1.00 33.55 O ATOM 168 CB LEU A 11 19.143 3.495 -2.117 1.00 45.23 C ATOM 169 CG LEU A 11 19.053 3.195 -0.621 1.00 12.24 C ATOM 170 CD1 LEU A 11 20.251 3.776 0.114 1.00 40.32 C ATOM 171 CD2 LEU A 11 17.755 3.743 -0.045 1.00 20.34 C ATOM 0 H LEU A 11 17.082 4.801 -2.494 1.00 61.03 H new ATOM 0 HA LEU A 11 19.721 5.533 -1.747 1.00 31.30 H new ATOM 0 HB2 LEU A 11 18.293 3.027 -2.613 1.00 45.23 H new ATOM 0 HB3 LEU A 11 20.042 3.020 -2.509 1.00 45.23 H new ATOM 0 HG LEU A 11 19.060 2.113 -0.486 1.00 12.24 H new ATOM 0 HD11 LEU A 11 20.169 3.552 1.178 1.00 40.32 H new ATOM 0 HD12 LEU A 11 21.168 3.337 -0.280 1.00 40.32 H new ATOM 0 HD13 LEU A 11 20.276 4.856 -0.028 1.00 40.32 H new ATOM 0 HD21 LEU A 11 17.707 3.521 1.021 1.00 20.34 H new ATOM 0 HD22 LEU A 11 17.719 4.822 -0.192 1.00 20.34 H new ATOM 0 HD23 LEU A 11 16.908 3.279 -0.551 1.00 20.34 H new ATOM 183 N ALA A 12 19.119 5.470 -4.879 1.00 4.04 N ATOM 184 CA ALA A 12 19.679 5.669 -6.210 1.00 21.33 C ATOM 185 C ALA A 12 20.509 6.947 -6.271 1.00 70.42 C ATOM 186 O ALA A 12 21.482 7.032 -7.021 1.00 1.04 O ATOM 187 CB ALA A 12 18.568 5.708 -7.249 1.00 24.12 C ATOM 0 H ALA A 12 18.109 5.598 -4.823 1.00 4.04 H new ATOM 0 HA ALA A 12 20.338 4.829 -6.430 1.00 21.33 H new ATOM 0 HB1 ALA A 12 19.000 5.857 -8.238 1.00 24.12 H new ATOM 0 HB2 ALA A 12 18.020 4.766 -7.231 1.00 24.12 H new ATOM 0 HB3 ALA A 12 17.887 6.529 -7.023 1.00 24.12 H new ATOM 193 N LYS A 13 20.118 7.939 -5.479 1.00 40.00 N ATOM 194 CA LYS A 13 20.826 9.213 -5.442 1.00 54.42 C ATOM 195 C LYS A 13 22.192 9.058 -4.782 1.00 50.11 C ATOM 196 O LYS A 13 23.112 9.831 -5.049 1.00 44.11 O ATOM 197 CB LYS A 13 19.999 10.258 -4.688 1.00 70.44 C ATOM 198 CG LYS A 13 20.012 10.071 -3.181 1.00 53.01 C ATOM 199 CD LYS A 13 20.989 11.022 -2.510 1.00 34.32 C ATOM 200 CE LYS A 13 20.340 12.363 -2.204 1.00 41.24 C ATOM 201 NZ LYS A 13 20.299 13.245 -3.404 1.00 1.24 N ATOM 0 H LYS A 13 19.314 7.885 -4.854 1.00 40.00 H new ATOM 0 HA LYS A 13 20.974 9.547 -6.469 1.00 54.42 H new ATOM 0 HB2 LYS A 13 20.380 11.251 -4.926 1.00 70.44 H new ATOM 0 HB3 LYS A 13 18.969 10.218 -5.042 1.00 70.44 H new ATOM 0 HG2 LYS A 13 19.010 10.237 -2.784 1.00 53.01 H new ATOM 0 HG3 LYS A 13 20.283 9.042 -2.943 1.00 53.01 H new ATOM 0 HD2 LYS A 13 21.357 10.575 -1.586 1.00 34.32 H new ATOM 0 HD3 LYS A 13 21.853 11.174 -3.157 1.00 34.32 H new ATOM 0 HE2 LYS A 13 19.326 12.201 -1.837 1.00 41.24 H new ATOM 0 HE3 LYS A 13 20.892 12.860 -1.406 1.00 41.24 H new ATOM 0 HZ1 LYS A 13 20.329 14.240 -3.104 1.00 1.24 H new ATOM 0 HZ2 LYS A 13 21.117 13.041 -4.013 1.00 1.24 H new ATOM 0 HZ3 LYS A 13 19.421 13.070 -3.934 1.00 1.24 H new ATOM 215 N TYR A 14 22.317 8.054 -3.921 1.00 42.51 N ATOM 216 CA TYR A 14 23.571 7.799 -3.222 1.00 62.24 C ATOM 217 C TYR A 14 24.673 7.414 -4.205 1.00 24.04 C ATOM 218 O TYR A 14 25.859 7.569 -3.917 1.00 3.53 O ATOM 219 CB TYR A 14 23.385 6.689 -2.187 1.00 21.42 C ATOM 220 CG TYR A 14 22.900 7.188 -0.845 1.00 35.33 C ATOM 221 CD1 TYR A 14 21.544 7.364 -0.596 1.00 73.32 C ATOM 222 CD2 TYR A 14 23.796 7.484 0.174 1.00 0.14 C ATOM 223 CE1 TYR A 14 21.095 7.820 0.628 1.00 3.12 C ATOM 224 CE2 TYR A 14 23.357 7.940 1.402 1.00 34.43 C ATOM 225 CZ TYR A 14 22.005 8.106 1.624 1.00 5.13 C ATOM 226 OH TYR A 14 21.564 8.561 2.846 1.00 72.04 O ATOM 0 H TYR A 14 21.566 7.404 -3.691 1.00 42.51 H new ATOM 0 HA TYR A 14 23.867 8.716 -2.712 1.00 62.24 H new ATOM 0 HB2 TYR A 14 22.673 5.959 -2.573 1.00 21.42 H new ATOM 0 HB3 TYR A 14 24.333 6.168 -2.051 1.00 21.42 H new ATOM 0 HD1 TYR A 14 20.829 7.140 -1.374 1.00 73.32 H new ATOM 0 HD2 TYR A 14 24.855 7.355 0.003 1.00 0.14 H new ATOM 0 HE1 TYR A 14 20.038 7.952 0.804 1.00 3.12 H new ATOM 0 HE2 TYR A 14 24.068 8.165 2.184 1.00 34.43 H new ATOM 0 HH TYR A 14 22.332 8.714 3.435 1.00 72.04 H new ATOM 236 N GLY A 15 24.271 6.911 -5.368 1.00 24.42 N ATOM 237 CA GLY A 15 25.236 6.511 -6.376 1.00 53.42 C ATOM 238 C GLY A 15 25.085 5.058 -6.779 1.00 60.13 C ATOM 239 O GLY A 15 26.054 4.415 -7.181 1.00 63.55 O ATOM 0 H GLY A 15 23.295 6.773 -5.630 1.00 24.42 H new ATOM 0 HA2 GLY A 15 25.120 7.143 -7.257 1.00 53.42 H new ATOM 0 HA3 GLY A 15 26.244 6.676 -5.995 1.00 53.42 H new ATOM 243 N SER A 16 23.866 4.538 -6.670 1.00 5.30 N ATOM 244 CA SER A 16 23.593 3.150 -7.021 1.00 63.40 C ATOM 245 C SER A 16 24.568 2.210 -6.317 1.00 74.34 C ATOM 246 O SER A 16 24.940 1.166 -6.855 1.00 2.45 O ATOM 247 CB SER A 16 23.685 2.957 -8.536 1.00 21.21 C ATOM 248 OG SER A 16 22.712 3.737 -9.209 1.00 44.02 O ATOM 0 H SER A 16 23.052 5.058 -6.341 1.00 5.30 H new ATOM 0 HA SER A 16 22.582 2.910 -6.692 1.00 63.40 H new ATOM 0 HB2 SER A 16 24.681 3.235 -8.881 1.00 21.21 H new ATOM 0 HB3 SER A 16 23.545 1.904 -8.781 1.00 21.21 H new ATOM 0 HG SER A 16 22.792 3.598 -10.176 1.00 44.02 H new ATOM 254 N LYS A 17 24.977 2.587 -5.111 1.00 41.20 N ATOM 255 CA LYS A 17 25.907 1.780 -4.331 1.00 21.33 C ATOM 256 C LYS A 17 25.247 1.272 -3.052 1.00 41.45 C ATOM 257 O LYS A 17 25.612 0.220 -2.530 1.00 24.02 O ATOM 258 CB LYS A 17 27.155 2.594 -3.984 1.00 44.32 C ATOM 259 CG LYS A 17 26.870 3.802 -3.109 1.00 31.05 C ATOM 260 CD LYS A 17 27.880 4.912 -3.343 1.00 44.31 C ATOM 261 CE LYS A 17 29.125 4.723 -2.489 1.00 14.11 C ATOM 262 NZ LYS A 17 30.196 5.694 -2.846 1.00 54.04 N ATOM 0 H LYS A 17 24.679 3.448 -4.652 1.00 41.20 H new ATOM 0 HA LYS A 17 26.198 0.921 -4.935 1.00 21.33 H new ATOM 0 HB2 LYS A 17 27.870 1.948 -3.475 1.00 44.32 H new ATOM 0 HB3 LYS A 17 27.629 2.928 -4.907 1.00 44.32 H new ATOM 0 HG2 LYS A 17 25.866 4.173 -3.316 1.00 31.05 H new ATOM 0 HG3 LYS A 17 26.891 3.506 -2.060 1.00 31.05 H new ATOM 0 HD2 LYS A 17 28.160 4.934 -4.396 1.00 44.31 H new ATOM 0 HD3 LYS A 17 27.423 5.875 -3.114 1.00 44.31 H new ATOM 0 HE2 LYS A 17 28.865 4.840 -1.437 1.00 14.11 H new ATOM 0 HE3 LYS A 17 29.500 3.707 -2.613 1.00 14.11 H new ATOM 0 HZ1 LYS A 17 31.027 5.532 -2.242 1.00 54.04 H new ATOM 0 HZ2 LYS A 17 30.463 5.566 -3.843 1.00 54.04 H new ATOM 0 HZ3 LYS A 17 29.847 6.663 -2.703 1.00 54.04 H new ATOM 276 N ALA A 18 24.273 2.027 -2.555 1.00 52.23 N ATOM 277 CA ALA A 18 23.560 1.652 -1.341 1.00 31.24 C ATOM 278 C ALA A 18 22.253 0.938 -1.669 1.00 50.24 C ATOM 279 O ALA A 18 21.735 0.167 -0.862 1.00 20.40 O ATOM 280 CB ALA A 18 23.291 2.881 -0.485 1.00 25.01 C ATOM 0 H ALA A 18 23.960 2.902 -2.975 1.00 52.23 H new ATOM 0 HA ALA A 18 24.190 0.962 -0.779 1.00 31.24 H new ATOM 0 HB1 ALA A 18 22.758 2.585 0.419 1.00 25.01 H new ATOM 0 HB2 ALA A 18 24.237 3.348 -0.212 1.00 25.01 H new ATOM 0 HB3 ALA A 18 22.685 3.591 -1.048 1.00 25.01 H new ATOM 286 N VAL A 19 21.724 1.201 -2.860 1.00 54.30 N ATOM 287 CA VAL A 19 20.477 0.584 -3.296 1.00 32.32 C ATOM 288 C VAL A 19 20.667 -0.904 -3.569 1.00 72.04 C ATOM 289 O VAL A 19 19.774 -1.711 -3.312 1.00 11.20 O ATOM 290 CB VAL A 19 19.928 1.262 -4.565 1.00 61.01 C ATOM 291 CG1 VAL A 19 20.940 1.175 -5.697 1.00 61.13 C ATOM 292 CG2 VAL A 19 18.604 0.635 -4.973 1.00 54.05 C ATOM 0 H VAL A 19 22.140 1.837 -3.540 1.00 54.30 H new ATOM 0 HA VAL A 19 19.760 0.713 -2.486 1.00 32.32 H new ATOM 0 HB VAL A 19 19.753 2.315 -4.347 1.00 61.01 H new ATOM 0 HG11 VAL A 19 20.535 1.659 -6.585 1.00 61.13 H new ATOM 0 HG12 VAL A 19 21.862 1.675 -5.400 1.00 61.13 H new ATOM 0 HG13 VAL A 19 21.150 0.128 -5.918 1.00 61.13 H new ATOM 0 HG21 VAL A 19 18.230 1.126 -5.871 1.00 54.05 H new ATOM 0 HG22 VAL A 19 18.751 -0.426 -5.174 1.00 54.05 H new ATOM 0 HG23 VAL A 19 17.881 0.755 -4.166 1.00 54.05 H new ATOM 302 N GLN A 20 21.836 -1.259 -4.092 1.00 71.42 N ATOM 303 CA GLN A 20 22.143 -2.651 -4.401 1.00 33.01 C ATOM 304 C GLN A 20 22.031 -3.523 -3.154 1.00 50.44 C ATOM 305 O GLN A 20 21.628 -4.683 -3.231 1.00 34.10 O ATOM 306 CB GLN A 20 23.548 -2.766 -4.994 1.00 22.02 C ATOM 307 CG GLN A 20 23.792 -4.072 -5.733 1.00 54.21 C ATOM 308 CD GLN A 20 22.806 -4.295 -6.863 1.00 70.11 C ATOM 309 OE1 GLN A 20 22.030 -5.251 -6.846 1.00 31.05 O ATOM 310 NE2 GLN A 20 22.831 -3.412 -7.854 1.00 43.13 N ATOM 0 H GLN A 20 22.586 -0.603 -4.311 1.00 71.42 H new ATOM 0 HA GLN A 20 21.417 -3.003 -5.134 1.00 33.01 H new ATOM 0 HB2 GLN A 20 23.713 -1.934 -5.679 1.00 22.02 H new ATOM 0 HB3 GLN A 20 24.281 -2.669 -4.193 1.00 22.02 H new ATOM 0 HG2 GLN A 20 24.805 -4.074 -6.134 1.00 54.21 H new ATOM 0 HG3 GLN A 20 23.726 -4.901 -5.029 1.00 54.21 H new ATOM 0 HE21 GLN A 20 23.491 -2.634 -7.828 1.00 43.13 H new ATOM 0 HE22 GLN A 20 22.191 -3.511 -8.642 1.00 43.13 H new ATOM 319 N TRP A 21 22.391 -2.956 -2.009 1.00 12.15 N ATOM 320 CA TRP A 21 22.331 -3.682 -0.745 1.00 62.20 C ATOM 321 C TRP A 21 20.944 -4.275 -0.523 1.00 1.22 C ATOM 322 O TRP A 21 20.791 -5.490 -0.399 1.00 53.53 O ATOM 323 CB TRP A 21 22.696 -2.756 0.417 1.00 71.53 C ATOM 324 CG TRP A 21 22.846 -3.474 1.724 1.00 63.54 C ATOM 325 CD1 TRP A 21 23.803 -4.393 2.049 1.00 45.21 C ATOM 326 CD2 TRP A 21 22.013 -3.335 2.879 1.00 15.41 C ATOM 327 NE1 TRP A 21 23.615 -4.832 3.337 1.00 31.21 N ATOM 328 CE2 TRP A 21 22.523 -4.198 3.868 1.00 4.44 C ATOM 329 CE3 TRP A 21 20.886 -2.563 3.175 1.00 33.02 C ATOM 330 CZ2 TRP A 21 21.944 -4.309 5.129 1.00 21.45 C ATOM 331 CZ3 TRP A 21 20.312 -2.675 4.427 1.00 32.42 C ATOM 332 CH2 TRP A 21 20.842 -3.542 5.392 1.00 33.41 C ATOM 0 H TRP A 21 22.727 -1.996 -1.929 1.00 12.15 H new ATOM 0 HA TRP A 21 23.052 -4.499 -0.789 1.00 62.20 H new ATOM 0 HB2 TRP A 21 23.629 -2.242 0.184 1.00 71.53 H new ATOM 0 HB3 TRP A 21 21.927 -1.990 0.517 1.00 71.53 H new ATOM 0 HD1 TRP A 21 24.592 -4.726 1.390 1.00 45.21 H new ATOM 0 HE1 TRP A 21 24.195 -5.519 3.820 1.00 31.21 H new ATOM 0 HE3 TRP A 21 20.471 -1.891 2.438 1.00 33.02 H new ATOM 0 HZ2 TRP A 21 22.350 -4.977 5.874 1.00 21.45 H new ATOM 0 HZ3 TRP A 21 19.440 -2.084 4.666 1.00 32.42 H new ATOM 0 HH2 TRP A 21 20.371 -3.606 6.362 1.00 33.41 H new ATOM 343 N ALA A 22 19.937 -3.410 -0.473 1.00 54.52 N ATOM 344 CA ALA A 22 18.562 -3.849 -0.268 1.00 51.42 C ATOM 345 C ALA A 22 18.175 -4.929 -1.272 1.00 41.04 C ATOM 346 O ALA A 22 17.782 -6.031 -0.891 1.00 75.43 O ATOM 347 CB ALA A 22 17.610 -2.666 -0.369 1.00 34.31 C ATOM 0 H ALA A 22 20.047 -2.401 -0.572 1.00 54.52 H new ATOM 0 HA ALA A 22 18.488 -4.277 0.732 1.00 51.42 H new ATOM 0 HB1 ALA A 22 16.587 -3.008 -0.214 1.00 34.31 H new ATOM 0 HB2 ALA A 22 17.865 -1.928 0.391 1.00 34.31 H new ATOM 0 HB3 ALA A 22 17.695 -2.214 -1.357 1.00 34.31 H new ATOM 353 N TRP A 23 18.289 -4.605 -2.555 1.00 72.23 N ATOM 354 CA TRP A 23 17.950 -5.549 -3.615 1.00 11.05 C ATOM 355 C TRP A 23 18.677 -6.874 -3.416 1.00 31.41 C ATOM 356 O TRP A 23 18.139 -7.939 -3.718 1.00 32.12 O ATOM 357 CB TRP A 23 18.301 -4.960 -4.982 1.00 21.41 C ATOM 358 CG TRP A 23 17.279 -3.990 -5.491 1.00 75.34 C ATOM 359 CD1 TRP A 23 17.260 -2.639 -5.293 1.00 32.34 C ATOM 360 CD2 TRP A 23 16.125 -4.297 -6.282 1.00 63.54 C ATOM 361 NE1 TRP A 23 16.164 -2.088 -5.912 1.00 63.14 N ATOM 362 CE2 TRP A 23 15.453 -3.084 -6.527 1.00 71.13 C ATOM 363 CE3 TRP A 23 15.596 -5.479 -6.809 1.00 45.34 C ATOM 364 CZ2 TRP A 23 14.280 -3.021 -7.275 1.00 32.24 C ATOM 365 CZ3 TRP A 23 14.432 -5.415 -7.551 1.00 11.45 C ATOM 366 CH2 TRP A 23 13.784 -4.193 -7.778 1.00 63.13 C ATOM 0 H TRP A 23 18.613 -3.697 -2.887 1.00 72.23 H new ATOM 0 HA TRP A 23 16.877 -5.735 -3.573 1.00 11.05 H new ATOM 0 HB2 TRP A 23 19.266 -4.458 -4.916 1.00 21.41 H new ATOM 0 HB3 TRP A 23 18.412 -5.771 -5.702 1.00 21.41 H new ATOM 0 HD1 TRP A 23 17.998 -2.085 -4.732 1.00 32.34 H new ATOM 0 HE1 TRP A 23 15.920 -1.098 -5.913 1.00 63.14 H new ATOM 0 HE3 TRP A 23 16.088 -6.425 -6.639 1.00 45.34 H new ATOM 0 HZ2 TRP A 23 13.779 -2.080 -7.452 1.00 32.24 H new ATOM 0 HZ3 TRP A 23 14.015 -6.322 -7.963 1.00 11.45 H new ATOM 0 HH2 TRP A 23 12.875 -4.176 -8.361 1.00 63.13 H new ATOM 377 N ALA A 24 19.902 -6.802 -2.906 1.00 41.21 N ATOM 378 CA ALA A 24 20.701 -7.997 -2.665 1.00 43.33 C ATOM 379 C ALA A 24 20.137 -8.810 -1.506 1.00 35.50 C ATOM 380 O ALA A 24 19.742 -9.963 -1.679 1.00 11.25 O ATOM 381 CB ALA A 24 22.149 -7.617 -2.390 1.00 52.13 C ATOM 0 H ALA A 24 20.363 -5.928 -2.652 1.00 41.21 H new ATOM 0 HA ALA A 24 20.663 -8.616 -3.561 1.00 43.33 H new ATOM 0 HB1 ALA A 24 22.734 -8.519 -2.212 1.00 52.13 H new ATOM 0 HB2 ALA A 24 22.555 -7.085 -3.250 1.00 52.13 H new ATOM 0 HB3 ALA A 24 22.196 -6.974 -1.511 1.00 52.13 H new ATOM 387 N ASN A 25 20.102 -8.203 -0.324 1.00 73.13 N ATOM 388 CA ASN A 25 19.586 -8.873 0.864 1.00 1.43 C ATOM 389 C ASN A 25 18.095 -8.602 1.037 1.00 34.03 C ATOM 390 O ASN A 25 17.694 -7.516 1.455 1.00 15.42 O ATOM 391 CB ASN A 25 20.348 -8.408 2.107 1.00 34.25 C ATOM 392 CG ASN A 25 21.850 -8.542 1.949 1.00 72.40 C ATOM 393 OD1 ASN A 25 22.432 -9.570 2.295 1.00 23.22 O ATOM 394 ND2 ASN A 25 22.485 -7.501 1.424 1.00 54.04 N ATOM 0 H ASN A 25 20.425 -7.249 -0.164 1.00 73.13 H new ATOM 0 HA ASN A 25 19.729 -9.946 0.737 1.00 1.43 H new ATOM 0 HB2 ASN A 25 20.099 -7.367 2.314 1.00 34.25 H new ATOM 0 HB3 ASN A 25 20.023 -8.991 2.968 1.00 34.25 H new ATOM 0 HD21 ASN A 25 23.496 -7.533 1.293 1.00 54.04 H new ATOM 0 HD22 ASN A 25 21.962 -6.669 1.151 1.00 54.04 H new ATOM 401 N LYS A 26 17.277 -9.598 0.713 1.00 11.15 N ATOM 402 CA LYS A 26 15.829 -9.470 0.834 1.00 24.11 C ATOM 403 C LYS A 26 15.348 -9.991 2.185 1.00 51.44 C ATOM 404 O LYS A 26 16.002 -10.826 2.808 1.00 51.41 O ATOM 405 CB LYS A 26 15.134 -10.232 -0.296 1.00 35.32 C ATOM 406 CG LYS A 26 15.525 -9.754 -1.683 1.00 64.53 C ATOM 407 CD LYS A 26 15.236 -10.809 -2.739 1.00 12.34 C ATOM 408 CE LYS A 26 13.763 -10.829 -3.117 1.00 14.05 C ATOM 409 NZ LYS A 26 13.384 -9.644 -3.936 1.00 32.53 N ATOM 0 H LYS A 26 17.592 -10.503 0.364 1.00 11.15 H new ATOM 0 HA LYS A 26 15.575 -8.413 0.761 1.00 24.11 H new ATOM 0 HB2 LYS A 26 15.370 -11.292 -0.207 1.00 35.32 H new ATOM 0 HB3 LYS A 26 14.055 -10.135 -0.178 1.00 35.32 H new ATOM 0 HG2 LYS A 26 14.980 -8.841 -1.921 1.00 64.53 H new ATOM 0 HG3 LYS A 26 16.586 -9.505 -1.697 1.00 64.53 H new ATOM 0 HD2 LYS A 26 15.838 -10.612 -3.626 1.00 12.34 H new ATOM 0 HD3 LYS A 26 15.530 -11.790 -2.365 1.00 12.34 H new ATOM 0 HE2 LYS A 26 13.543 -11.740 -3.673 1.00 14.05 H new ATOM 0 HE3 LYS A 26 13.156 -10.854 -2.212 1.00 14.05 H new ATOM 0 HZ1 LYS A 26 12.460 -9.812 -4.383 1.00 32.53 H new ATOM 0 HZ2 LYS A 26 13.325 -8.804 -3.325 1.00 32.53 H new ATOM 0 HZ3 LYS A 26 14.101 -9.487 -4.672 1.00 32.53 H new ATOM 423 N GLY A 27 14.199 -9.492 2.631 1.00 74.35 N ATOM 424 CA GLY A 27 13.649 -9.920 3.904 1.00 72.14 C ATOM 425 C GLY A 27 14.312 -9.234 5.081 1.00 14.44 C ATOM 426 O GLY A 27 14.355 -9.779 6.184 1.00 22.41 O ATOM 0 H GLY A 27 13.640 -8.799 2.134 1.00 74.35 H new ATOM 0 HA2 GLY A 27 12.579 -9.713 3.922 1.00 72.14 H new ATOM 0 HA3 GLY A 27 13.767 -10.999 4.003 1.00 72.14 H new ATOM 430 N LYS A 28 14.831 -8.033 4.849 1.00 61.04 N ATOM 431 CA LYS A 28 15.496 -7.270 5.898 1.00 11.12 C ATOM 432 C LYS A 28 14.840 -5.904 6.076 1.00 23.24 C ATOM 433 O LYS A 28 14.509 -5.505 7.193 1.00 23.44 O ATOM 434 CB LYS A 28 16.980 -7.096 5.568 1.00 2.25 C ATOM 435 CG LYS A 28 17.826 -6.692 6.764 1.00 34.41 C ATOM 436 CD LYS A 28 18.143 -7.885 7.650 1.00 24.32 C ATOM 437 CE LYS A 28 19.375 -7.632 8.505 1.00 4.34 C ATOM 438 NZ LYS A 28 19.050 -6.845 9.727 1.00 20.03 N ATOM 0 H LYS A 28 14.804 -7.567 3.942 1.00 61.04 H new ATOM 0 HA LYS A 28 15.401 -7.824 6.832 1.00 11.12 H new ATOM 0 HB2 LYS A 28 17.365 -8.031 5.160 1.00 2.25 H new ATOM 0 HB3 LYS A 28 17.084 -6.341 4.788 1.00 2.25 H new ATOM 0 HG2 LYS A 28 18.754 -6.238 6.418 1.00 34.41 H new ATOM 0 HG3 LYS A 28 17.299 -5.936 7.345 1.00 34.41 H new ATOM 0 HD2 LYS A 28 17.290 -8.099 8.294 1.00 24.32 H new ATOM 0 HD3 LYS A 28 18.304 -8.767 7.030 1.00 24.32 H new ATOM 0 HE2 LYS A 28 19.818 -8.585 8.794 1.00 4.34 H new ATOM 0 HE3 LYS A 28 20.122 -7.098 7.917 1.00 4.34 H new ATOM 0 HZ1 LYS A 28 19.916 -6.694 10.283 1.00 20.03 H new ATOM 0 HZ2 LYS A 28 18.650 -5.925 9.451 1.00 20.03 H new ATOM 0 HZ3 LYS A 28 18.357 -7.366 10.301 1.00 20.03 H new ATOM 452 N ILE A 29 14.655 -5.193 4.969 1.00 33.24 N ATOM 453 CA ILE A 29 14.036 -3.874 5.004 1.00 1.22 C ATOM 454 C ILE A 29 12.517 -3.976 4.913 1.00 23.13 C ATOM 455 O ILE A 29 11.795 -3.114 5.414 1.00 12.45 O ATOM 456 CB ILE A 29 14.549 -2.981 3.859 1.00 72.24 C ATOM 457 CG1 ILE A 29 16.078 -2.986 3.825 1.00 45.40 C ATOM 458 CG2 ILE A 29 14.021 -1.563 4.015 1.00 0.05 C ATOM 459 CD1 ILE A 29 16.659 -3.997 2.861 1.00 13.13 C ATOM 0 H ILE A 29 14.925 -5.508 4.037 1.00 33.24 H new ATOM 0 HA ILE A 29 14.310 -3.422 5.957 1.00 1.22 H new ATOM 0 HB ILE A 29 14.182 -3.381 2.914 1.00 72.24 H new ATOM 0 HG12 ILE A 29 16.430 -1.991 3.551 1.00 45.40 H new ATOM 0 HG13 ILE A 29 16.455 -3.193 4.827 1.00 45.40 H new ATOM 0 HG21 ILE A 29 14.393 -0.944 3.198 1.00 0.05 H new ATOM 0 HG22 ILE A 29 12.931 -1.576 3.994 1.00 0.05 H new ATOM 0 HG23 ILE A 29 14.360 -1.151 4.965 1.00 0.05 H new ATOM 0 HD11 ILE A 29 17.747 -3.944 2.890 1.00 13.13 H new ATOM 0 HD12 ILE A 29 16.337 -4.998 3.146 1.00 13.13 H new ATOM 0 HD13 ILE A 29 16.312 -3.778 1.851 1.00 13.13 H new ATOM 471 N LEU A 30 12.039 -5.037 4.272 1.00 12.33 N ATOM 472 CA LEU A 30 10.605 -5.254 4.117 1.00 53.02 C ATOM 473 C LEU A 30 9.905 -5.264 5.472 1.00 3.44 C ATOM 474 O LEU A 30 8.715 -4.965 5.570 1.00 10.11 O ATOM 475 CB LEU A 30 10.345 -6.573 3.387 1.00 51.23 C ATOM 476 CG LEU A 30 10.296 -6.497 1.860 1.00 4.23 C ATOM 477 CD1 LEU A 30 9.051 -5.754 1.402 1.00 32.41 C ATOM 478 CD2 LEU A 30 11.550 -5.824 1.320 1.00 53.22 C ATOM 0 H LEU A 30 12.623 -5.760 3.852 1.00 12.33 H new ATOM 0 HA LEU A 30 10.201 -4.432 3.526 1.00 53.02 H new ATOM 0 HB2 LEU A 30 11.123 -7.282 3.671 1.00 51.23 H new ATOM 0 HB3 LEU A 30 9.398 -6.981 3.741 1.00 51.23 H new ATOM 0 HG LEU A 30 10.253 -7.512 1.466 1.00 4.23 H new ATOM 0 HD11 LEU A 30 9.034 -5.710 0.313 1.00 32.41 H new ATOM 0 HD12 LEU A 30 8.163 -6.277 1.758 1.00 32.41 H new ATOM 0 HD13 LEU A 30 9.062 -4.742 1.806 1.00 32.41 H new ATOM 0 HD21 LEU A 30 11.499 -5.778 0.232 1.00 53.22 H new ATOM 0 HD22 LEU A 30 11.623 -4.814 1.723 1.00 53.22 H new ATOM 0 HD23 LEU A 30 12.428 -6.397 1.618 1.00 53.22 H new ATOM 490 N ASP A 31 10.653 -5.607 6.515 1.00 0.44 N ATOM 491 CA ASP A 31 10.106 -5.652 7.866 1.00 10.15 C ATOM 492 C ASP A 31 10.056 -4.256 8.480 1.00 51.15 C ATOM 493 O ASP A 31 9.074 -3.885 9.122 1.00 12.51 O ATOM 494 CB ASP A 31 10.943 -6.580 8.748 1.00 44.21 C ATOM 495 CG ASP A 31 10.471 -8.019 8.686 1.00 62.10 C ATOM 496 OD1 ASP A 31 9.310 -8.279 9.063 1.00 55.41 O ATOM 497 OD2 ASP A 31 11.264 -8.886 8.261 1.00 33.25 O ATOM 0 H ASP A 31 11.640 -5.858 6.451 1.00 0.44 H new ATOM 0 HA ASP A 31 9.089 -6.040 7.806 1.00 10.15 H new ATOM 0 HB2 ASP A 31 11.986 -6.529 8.436 1.00 44.21 H new ATOM 0 HB3 ASP A 31 10.901 -6.231 9.780 1.00 44.21 H new ATOM 502 N TRP A 32 11.121 -3.488 8.277 1.00 34.33 N ATOM 503 CA TRP A 32 11.198 -2.133 8.811 1.00 23.34 C ATOM 504 C TRP A 32 9.976 -1.317 8.406 1.00 71.43 C ATOM 505 O TRP A 32 9.530 -0.439 9.145 1.00 30.02 O ATOM 506 CB TRP A 32 12.473 -1.443 8.323 1.00 52.20 C ATOM 507 CG TRP A 32 13.721 -1.989 8.947 1.00 30.51 C ATOM 508 CD1 TRP A 32 13.830 -2.595 10.166 1.00 3.14 C ATOM 509 CD2 TRP A 32 15.037 -1.978 8.383 1.00 32.41 C ATOM 510 NE1 TRP A 32 15.135 -2.961 10.394 1.00 10.23 N ATOM 511 CE2 TRP A 32 15.895 -2.595 9.315 1.00 12.40 C ATOM 512 CE3 TRP A 32 15.574 -1.510 7.181 1.00 75.12 C ATOM 513 CZ2 TRP A 32 17.258 -2.752 9.081 1.00 42.14 C ATOM 514 CZ3 TRP A 32 16.927 -1.667 6.950 1.00 51.42 C ATOM 515 CH2 TRP A 32 17.757 -2.284 7.895 1.00 13.13 C ATOM 0 H TRP A 32 11.942 -3.780 7.747 1.00 34.33 H new ATOM 0 HA TRP A 32 11.222 -2.199 9.899 1.00 23.34 H new ATOM 0 HB2 TRP A 32 12.542 -1.547 7.240 1.00 52.20 H new ATOM 0 HB3 TRP A 32 12.405 -0.376 8.537 1.00 52.20 H new ATOM 0 HD1 TRP A 32 13.011 -2.762 10.850 1.00 3.14 H new ATOM 0 HE1 TRP A 32 15.481 -3.429 11.231 1.00 10.23 H new ATOM 0 HE3 TRP A 32 14.943 -1.034 6.445 1.00 75.12 H new ATOM 0 HZ2 TRP A 32 17.899 -3.226 9.809 1.00 42.14 H new ATOM 0 HZ3 TRP A 32 17.352 -1.308 6.025 1.00 51.42 H new ATOM 0 HH2 TRP A 32 18.811 -2.393 7.684 1.00 13.13 H new ATOM 526 N LEU A 33 9.438 -1.612 7.228 1.00 74.34 N ATOM 527 CA LEU A 33 8.265 -0.905 6.724 1.00 62.44 C ATOM 528 C LEU A 33 7.143 -0.907 7.757 1.00 51.35 C ATOM 529 O LEU A 33 6.655 0.149 8.158 1.00 35.41 O ATOM 530 CB LEU A 33 7.778 -1.547 5.423 1.00 30.55 C ATOM 531 CG LEU A 33 8.600 -1.237 4.172 1.00 11.51 C ATOM 532 CD1 LEU A 33 8.021 -1.952 2.962 1.00 55.24 C ATOM 533 CD2 LEU A 33 8.656 0.265 3.930 1.00 20.15 C ATOM 0 H LEU A 33 9.795 -2.336 6.604 1.00 74.34 H new ATOM 0 HA LEU A 33 8.551 0.128 6.527 1.00 62.44 H new ATOM 0 HB2 LEU A 33 7.757 -2.628 5.561 1.00 30.55 H new ATOM 0 HB3 LEU A 33 6.751 -1.228 5.246 1.00 30.55 H new ATOM 0 HG LEU A 33 9.616 -1.598 4.329 1.00 11.51 H new ATOM 0 HD11 LEU A 33 8.619 -1.719 2.081 1.00 55.24 H new ATOM 0 HD12 LEU A 33 8.033 -3.028 3.135 1.00 55.24 H new ATOM 0 HD13 LEU A 33 6.995 -1.622 2.801 1.00 55.24 H new ATOM 0 HD21 LEU A 33 9.245 0.468 3.036 1.00 20.15 H new ATOM 0 HD22 LEU A 33 7.645 0.650 3.794 1.00 20.15 H new ATOM 0 HD23 LEU A 33 9.118 0.755 4.787 1.00 20.15 H new ATOM 545 N ASN A 34 6.740 -2.099 8.184 1.00 63.11 N ATOM 546 CA ASN A 34 5.676 -2.238 9.172 1.00 45.22 C ATOM 547 C ASN A 34 6.041 -1.521 10.468 1.00 1.41 C ATOM 548 O ASN A 34 5.211 -0.836 11.065 1.00 31.24 O ATOM 549 CB ASN A 34 5.403 -3.717 9.453 1.00 2.45 C ATOM 550 CG ASN A 34 5.061 -4.491 8.195 1.00 33.14 C ATOM 551 OD1 ASN A 34 6.085 -4.969 7.498 1.00 24.41 O flip ATOM 552 ND2 ASN A 34 3.889 -4.657 7.855 1.00 33.41 N flip ATOM 0 H ASN A 34 7.134 -2.983 7.861 1.00 63.11 H new ATOM 0 HA ASN A 34 4.774 -1.780 8.766 1.00 45.22 H new ATOM 0 HB2 ASN A 34 6.280 -4.162 9.923 1.00 2.45 H new ATOM 0 HB3 ASN A 34 4.581 -3.803 10.164 1.00 2.45 H new ATOM 0 HD21 ASN A 34 3.134 -4.271 8.422 1.00 33.41 H new ATOM 0 HD22 ASN A 34 3.673 -5.180 7.006 1.00 33.41 H new ATOM 559 N ALA A 35 7.289 -1.682 10.897 1.00 74.52 N ATOM 560 CA ALA A 35 7.764 -1.049 12.120 1.00 3.22 C ATOM 561 C ALA A 35 8.451 0.279 11.819 1.00 0.15 C ATOM 562 O ALA A 35 9.442 0.635 12.456 1.00 62.44 O ATOM 563 CB ALA A 35 8.712 -1.979 12.862 1.00 21.24 C ATOM 0 H ALA A 35 7.989 -2.246 10.415 1.00 74.52 H new ATOM 0 HA ALA A 35 6.901 -0.847 12.754 1.00 3.22 H new ATOM 0 HB1 ALA A 35 9.059 -1.493 13.774 1.00 21.24 H new ATOM 0 HB2 ALA A 35 8.191 -2.901 13.118 1.00 21.24 H new ATOM 0 HB3 ALA A 35 9.567 -2.210 12.226 1.00 21.24 H new ATOM 569 N GLY A 36 7.917 1.009 10.844 1.00 24.23 N ATOM 570 CA GLY A 36 8.493 2.289 10.476 1.00 51.10 C ATOM 571 C GLY A 36 8.629 2.453 8.975 1.00 1.32 C ATOM 572 O GLY A 36 9.641 2.066 8.392 1.00 2.11 O ATOM 0 H GLY A 36 7.096 0.737 10.303 1.00 24.23 H new ATOM 0 HA2 GLY A 36 7.870 3.091 10.871 1.00 51.10 H new ATOM 0 HA3 GLY A 36 9.474 2.389 10.940 1.00 51.10 H new ATOM 576 N GLN A 37 7.607 3.027 8.349 1.00 12.21 N ATOM 577 CA GLN A 37 7.617 3.239 6.906 1.00 33.15 C ATOM 578 C GLN A 37 8.402 4.496 6.546 1.00 21.41 C ATOM 579 O GLN A 37 8.532 4.843 5.373 1.00 64.44 O ATOM 580 CB GLN A 37 6.186 3.347 6.376 1.00 42.52 C ATOM 581 CG GLN A 37 5.479 2.007 6.254 1.00 10.34 C ATOM 582 CD GLN A 37 4.250 2.074 5.369 1.00 21.11 C ATOM 583 OE1 GLN A 37 3.140 2.312 5.845 1.00 11.24 O ATOM 584 NE2 GLN A 37 4.442 1.863 4.072 1.00 4.52 N ATOM 0 H GLN A 37 6.762 3.353 8.818 1.00 12.21 H new ATOM 0 HA GLN A 37 8.106 2.383 6.441 1.00 33.15 H new ATOM 0 HB2 GLN A 37 5.610 3.993 7.038 1.00 42.52 H new ATOM 0 HB3 GLN A 37 6.205 3.829 5.398 1.00 42.52 H new ATOM 0 HG2 GLN A 37 6.173 1.270 5.850 1.00 10.34 H new ATOM 0 HG3 GLN A 37 5.189 1.662 7.246 1.00 10.34 H new ATOM 0 HE21 GLN A 37 5.380 1.669 3.720 1.00 4.52 H new ATOM 0 HE22 GLN A 37 3.652 1.895 3.428 1.00 4.52 H new ATOM 593 N ALA A 38 8.923 5.174 7.563 1.00 20.13 N ATOM 594 CA ALA A 38 9.697 6.391 7.353 1.00 12.24 C ATOM 595 C ALA A 38 10.806 6.167 6.332 1.00 64.13 C ATOM 596 O ALA A 38 11.096 5.031 5.955 1.00 75.21 O ATOM 597 CB ALA A 38 10.281 6.879 8.671 1.00 53.20 C ATOM 0 H ALA A 38 8.823 4.901 8.541 1.00 20.13 H new ATOM 0 HA ALA A 38 9.026 7.155 6.960 1.00 12.24 H new ATOM 0 HB1 ALA A 38 10.857 7.789 8.499 1.00 53.20 H new ATOM 0 HB2 ALA A 38 9.473 7.088 9.372 1.00 53.20 H new ATOM 0 HB3 ALA A 38 10.932 6.110 9.087 1.00 53.20 H new ATOM 603 N ILE A 39 11.424 7.256 5.887 1.00 53.31 N ATOM 604 CA ILE A 39 12.502 7.177 4.909 1.00 13.30 C ATOM 605 C ILE A 39 13.857 7.419 5.564 1.00 23.54 C ATOM 606 O ILE A 39 14.717 6.537 5.579 1.00 51.31 O ATOM 607 CB ILE A 39 12.305 8.197 3.771 1.00 25.33 C ATOM 608 CG1 ILE A 39 10.926 8.022 3.133 1.00 61.23 C ATOM 609 CG2 ILE A 39 13.402 8.043 2.728 1.00 52.13 C ATOM 610 CD1 ILE A 39 9.842 8.837 3.802 1.00 4.52 C ATOM 0 H ILE A 39 11.197 8.204 6.188 1.00 53.31 H new ATOM 0 HA ILE A 39 12.477 6.170 4.492 1.00 13.30 H new ATOM 0 HB ILE A 39 12.365 9.202 4.188 1.00 25.33 H new ATOM 0 HG12 ILE A 39 10.983 8.303 2.081 1.00 61.23 H new ATOM 0 HG13 ILE A 39 10.650 6.968 3.167 1.00 61.23 H new ATOM 0 HG21 ILE A 39 13.250 8.770 1.930 1.00 52.13 H new ATOM 0 HG22 ILE A 39 14.373 8.213 3.193 1.00 52.13 H new ATOM 0 HG23 ILE A 39 13.370 7.036 2.312 1.00 52.13 H new ATOM 0 HD11 ILE A 39 8.892 8.663 3.297 1.00 4.52 H new ATOM 0 HD12 ILE A 39 9.757 8.541 4.847 1.00 4.52 H new ATOM 0 HD13 ILE A 39 10.095 9.896 3.745 1.00 4.52 H new ATOM 622 N ASP A 40 14.041 8.617 6.107 1.00 33.03 N ATOM 623 CA ASP A 40 15.291 8.974 6.768 1.00 70.13 C ATOM 624 C ASP A 40 15.629 7.974 7.869 1.00 34.11 C ATOM 625 O ASP A 40 16.796 7.784 8.212 1.00 75.23 O ATOM 626 CB ASP A 40 15.199 10.384 7.353 1.00 50.13 C ATOM 627 CG ASP A 40 16.560 11.032 7.519 1.00 34.32 C ATOM 628 OD1 ASP A 40 17.532 10.535 6.912 1.00 12.12 O ATOM 629 OD2 ASP A 40 16.652 12.036 8.256 1.00 62.24 O ATOM 0 H ASP A 40 13.340 9.358 6.103 1.00 33.03 H new ATOM 0 HA ASP A 40 16.087 8.949 6.023 1.00 70.13 H new ATOM 0 HB2 ASP A 40 14.581 11.004 6.703 1.00 50.13 H new ATOM 0 HB3 ASP A 40 14.700 10.341 8.321 1.00 50.13 H new ATOM 634 N TRP A 41 14.600 7.339 8.420 1.00 43.21 N ATOM 635 CA TRP A 41 14.788 6.359 9.484 1.00 42.32 C ATOM 636 C TRP A 41 15.280 5.031 8.920 1.00 72.23 C ATOM 637 O TRP A 41 15.961 4.268 9.605 1.00 44.40 O ATOM 638 CB TRP A 41 13.481 6.150 10.249 1.00 34.11 C ATOM 639 CG TRP A 41 13.640 5.308 11.479 1.00 44.30 C ATOM 640 CD1 TRP A 41 13.996 5.738 12.726 1.00 52.14 C ATOM 641 CD2 TRP A 41 13.452 3.893 11.579 1.00 63.50 C ATOM 642 NE1 TRP A 41 14.040 4.675 13.595 1.00 60.44 N ATOM 643 CE2 TRP A 41 13.710 3.531 12.916 1.00 52.40 C ATOM 644 CE3 TRP A 41 13.090 2.895 10.670 1.00 15.10 C ATOM 645 CZ2 TRP A 41 13.617 2.216 13.363 1.00 73.04 C ATOM 646 CZ3 TRP A 41 12.998 1.590 11.115 1.00 71.13 C ATOM 647 CH2 TRP A 41 13.260 1.260 12.451 1.00 33.21 C ATOM 0 H TRP A 41 13.628 7.485 8.148 1.00 43.21 H new ATOM 0 HA TRP A 41 15.544 6.743 10.169 1.00 42.32 H new ATOM 0 HB2 TRP A 41 13.075 7.121 10.532 1.00 34.11 H new ATOM 0 HB3 TRP A 41 12.753 5.681 9.588 1.00 34.11 H new ATOM 0 HD1 TRP A 41 14.211 6.763 12.990 1.00 52.14 H new ATOM 0 HE1 TRP A 41 14.279 4.728 14.585 1.00 60.44 H new ATOM 0 HE3 TRP A 41 12.886 3.139 9.638 1.00 15.10 H new ATOM 0 HZ2 TRP A 41 13.819 1.959 14.392 1.00 73.04 H new ATOM 0 HZ3 TRP A 41 12.719 0.811 10.421 1.00 71.13 H new ATOM 0 HH2 TRP A 41 13.179 0.231 12.768 1.00 33.21 H new ATOM 658 N VAL A 42 14.930 4.759 7.666 1.00 1.23 N ATOM 659 CA VAL A 42 15.337 3.523 7.010 1.00 64.32 C ATOM 660 C VAL A 42 16.667 3.697 6.285 1.00 2.41 C ATOM 661 O VAL A 42 17.438 2.748 6.142 1.00 3.43 O ATOM 662 CB VAL A 42 14.275 3.046 6.002 1.00 73.01 C ATOM 663 CG1 VAL A 42 14.732 1.773 5.306 1.00 52.23 C ATOM 664 CG2 VAL A 42 12.939 2.833 6.698 1.00 71.43 C ATOM 0 H VAL A 42 14.365 5.379 7.085 1.00 1.23 H new ATOM 0 HA VAL A 42 15.448 2.772 7.792 1.00 64.32 H new ATOM 0 HB VAL A 42 14.145 3.819 5.244 1.00 73.01 H new ATOM 0 HG11 VAL A 42 13.968 1.451 4.598 1.00 52.23 H new ATOM 0 HG12 VAL A 42 15.664 1.964 4.773 1.00 52.23 H new ATOM 0 HG13 VAL A 42 14.892 0.990 6.047 1.00 52.23 H new ATOM 0 HG21 VAL A 42 12.200 2.496 5.971 1.00 71.43 H new ATOM 0 HG22 VAL A 42 13.051 2.080 7.478 1.00 71.43 H new ATOM 0 HG23 VAL A 42 12.608 3.771 7.144 1.00 71.43 H new ATOM 674 N VAL A 43 16.930 4.918 5.829 1.00 64.01 N ATOM 675 CA VAL A 43 18.168 5.219 5.120 1.00 64.42 C ATOM 676 C VAL A 43 19.331 5.390 6.092 1.00 74.25 C ATOM 677 O VAL A 43 20.401 4.812 5.903 1.00 60.00 O ATOM 678 CB VAL A 43 18.032 6.496 4.269 1.00 22.45 C ATOM 679 CG1 VAL A 43 19.343 6.811 3.566 1.00 43.20 C ATOM 680 CG2 VAL A 43 16.900 6.347 3.264 1.00 43.40 C ATOM 0 H VAL A 43 16.302 5.714 5.938 1.00 64.01 H new ATOM 0 HA VAL A 43 18.369 4.373 4.462 1.00 64.42 H new ATOM 0 HB VAL A 43 17.793 7.329 4.930 1.00 22.45 H new ATOM 0 HG11 VAL A 43 19.228 7.716 2.970 1.00 43.20 H new ATOM 0 HG12 VAL A 43 20.127 6.963 4.308 1.00 43.20 H new ATOM 0 HG13 VAL A 43 19.616 5.980 2.915 1.00 43.20 H new ATOM 0 HG21 VAL A 43 16.818 7.258 2.671 1.00 43.40 H new ATOM 0 HG22 VAL A 43 17.107 5.503 2.606 1.00 43.40 H new ATOM 0 HG23 VAL A 43 15.964 6.173 3.794 1.00 43.40 H new ATOM 690 N SER A 44 19.112 6.187 7.132 1.00 2.42 N ATOM 691 CA SER A 44 20.143 6.438 8.133 1.00 72.31 C ATOM 692 C SER A 44 20.549 5.143 8.830 1.00 63.21 C ATOM 693 O SER A 44 21.670 5.014 9.323 1.00 0.41 O ATOM 694 CB SER A 44 19.646 7.451 9.165 1.00 15.52 C ATOM 695 OG SER A 44 20.707 7.903 9.989 1.00 53.24 O ATOM 0 H SER A 44 18.230 6.670 7.304 1.00 2.42 H new ATOM 0 HA SER A 44 21.016 6.847 7.625 1.00 72.31 H new ATOM 0 HB2 SER A 44 19.190 8.300 8.655 1.00 15.52 H new ATOM 0 HB3 SER A 44 18.871 6.996 9.782 1.00 15.52 H new ATOM 0 HG SER A 44 20.363 8.551 10.639 1.00 53.24 H new ATOM 701 N LYS A 45 19.630 4.184 8.867 1.00 53.53 N ATOM 702 CA LYS A 45 19.890 2.898 9.501 1.00 31.24 C ATOM 703 C LYS A 45 20.882 2.078 8.683 1.00 42.11 C ATOM 704 O LYS A 45 21.382 1.052 9.144 1.00 63.54 O ATOM 705 CB LYS A 45 18.585 2.117 9.672 1.00 71.34 C ATOM 706 CG LYS A 45 18.552 1.251 10.919 1.00 25.02 C ATOM 707 CD LYS A 45 19.082 -0.146 10.642 1.00 33.23 C ATOM 708 CE LYS A 45 18.471 -1.171 11.586 1.00 53.22 C ATOM 709 NZ LYS A 45 18.859 -0.922 13.002 1.00 64.23 N ATOM 0 H LYS A 45 18.697 4.274 8.464 1.00 53.53 H new ATOM 0 HA LYS A 45 20.325 3.087 10.483 1.00 31.24 H new ATOM 0 HB2 LYS A 45 17.753 2.820 9.706 1.00 71.34 H new ATOM 0 HB3 LYS A 45 18.433 1.485 8.797 1.00 71.34 H new ATOM 0 HG2 LYS A 45 19.148 1.718 11.703 1.00 25.02 H new ATOM 0 HG3 LYS A 45 17.530 1.186 11.291 1.00 25.02 H new ATOM 0 HD2 LYS A 45 18.861 -0.422 9.611 1.00 33.23 H new ATOM 0 HD3 LYS A 45 20.167 -0.153 10.749 1.00 33.23 H new ATOM 0 HE2 LYS A 45 17.385 -1.144 11.497 1.00 53.22 H new ATOM 0 HE3 LYS A 45 18.791 -2.171 11.292 1.00 53.22 H new ATOM 0 HZ1 LYS A 45 18.691 -1.781 13.564 1.00 64.23 H new ATOM 0 HZ2 LYS A 45 19.867 -0.670 13.047 1.00 64.23 H new ATOM 0 HZ3 LYS A 45 18.290 -0.141 13.386 1.00 64.23 H new ATOM 723 N ILE A 46 21.163 2.539 7.469 1.00 65.43 N ATOM 724 CA ILE A 46 22.098 1.849 6.588 1.00 21.12 C ATOM 725 C ILE A 46 23.529 2.315 6.832 1.00 43.52 C ATOM 726 O ILE A 46 24.482 1.558 6.646 1.00 34.50 O ATOM 727 CB ILE A 46 21.743 2.070 5.106 1.00 42.40 C ATOM 728 CG1 ILE A 46 20.254 1.807 4.871 1.00 45.14 C ATOM 729 CG2 ILE A 46 22.592 1.173 4.218 1.00 23.12 C ATOM 730 CD1 ILE A 46 19.816 0.415 5.270 1.00 4.40 C ATOM 0 H ILE A 46 20.757 3.387 7.073 1.00 65.43 H new ATOM 0 HA ILE A 46 22.021 0.786 6.816 1.00 21.12 H new ATOM 0 HB ILE A 46 21.954 3.108 4.848 1.00 42.40 H new ATOM 0 HG12 ILE A 46 19.671 2.537 5.432 1.00 45.14 H new ATOM 0 HG13 ILE A 46 20.028 1.962 3.816 1.00 45.14 H new ATOM 0 HG21 ILE A 46 22.329 1.341 3.174 1.00 23.12 H new ATOM 0 HG22 ILE A 46 23.646 1.405 4.369 1.00 23.12 H new ATOM 0 HG23 ILE A 46 22.410 0.129 4.475 1.00 23.12 H new ATOM 0 HD11 ILE A 46 18.750 0.299 5.076 1.00 4.40 H new ATOM 0 HD12 ILE A 46 20.372 -0.322 4.690 1.00 4.40 H new ATOM 0 HD13 ILE A 46 20.010 0.263 6.332 1.00 4.40 H new ATOM 742 N LYS A 47 23.674 3.568 7.251 1.00 41.01 N ATOM 743 CA LYS A 47 24.989 4.137 7.524 1.00 74.20 C ATOM 744 C LYS A 47 25.759 3.274 8.518 1.00 12.05 C ATOM 745 O LYS A 47 26.985 3.190 8.461 1.00 42.24 O ATOM 746 CB LYS A 47 24.848 5.560 8.069 1.00 30.10 C ATOM 747 CG LYS A 47 24.492 6.586 7.007 1.00 72.41 C ATOM 748 CD LYS A 47 23.489 7.601 7.527 1.00 54.51 C ATOM 749 CE LYS A 47 24.178 8.867 8.012 1.00 10.52 C ATOM 750 NZ LYS A 47 24.247 9.905 6.946 1.00 21.10 N ATOM 0 H LYS A 47 22.897 4.209 7.409 1.00 41.01 H new ATOM 0 HA LYS A 47 25.547 4.167 6.588 1.00 74.20 H new ATOM 0 HB2 LYS A 47 24.080 5.569 8.843 1.00 30.10 H new ATOM 0 HB3 LYS A 47 25.784 5.852 8.545 1.00 30.10 H new ATOM 0 HG2 LYS A 47 25.395 7.101 6.680 1.00 72.41 H new ATOM 0 HG3 LYS A 47 24.080 6.080 6.134 1.00 72.41 H new ATOM 0 HD2 LYS A 47 22.780 7.851 6.738 1.00 54.51 H new ATOM 0 HD3 LYS A 47 22.915 7.162 8.343 1.00 54.51 H new ATOM 0 HE2 LYS A 47 23.641 9.266 8.873 1.00 10.52 H new ATOM 0 HE3 LYS A 47 25.186 8.625 8.349 1.00 10.52 H new ATOM 0 HZ1 LYS A 47 24.724 10.752 7.316 1.00 21.10 H new ATOM 0 HZ2 LYS A 47 24.781 9.534 6.134 1.00 21.10 H new ATOM 0 HZ3 LYS A 47 23.284 10.155 6.642 1.00 21.10 H new ATOM 764 N GLN A 48 25.031 2.634 9.428 1.00 52.20 N ATOM 765 CA GLN A 48 25.647 1.777 10.434 1.00 0.30 C ATOM 766 C GLN A 48 25.965 0.402 9.857 1.00 61.02 C ATOM 767 O GLN A 48 26.863 -0.290 10.336 1.00 25.33 O ATOM 768 CB GLN A 48 24.725 1.634 11.646 1.00 2.02 C ATOM 769 CG GLN A 48 23.322 1.168 11.292 1.00 41.41 C ATOM 770 CD GLN A 48 22.477 0.877 12.516 1.00 24.34 C ATOM 771 OE1 GLN A 48 21.929 -0.216 12.660 1.00 33.24 O ATOM 772 NE2 GLN A 48 22.368 1.855 13.407 1.00 3.25 N ATOM 0 H GLN A 48 24.015 2.693 9.489 1.00 52.20 H new ATOM 0 HA GLN A 48 26.581 2.243 10.749 1.00 0.30 H new ATOM 0 HB2 GLN A 48 25.168 0.927 12.347 1.00 2.02 H new ATOM 0 HB3 GLN A 48 24.661 2.594 12.159 1.00 2.02 H new ATOM 0 HG2 GLN A 48 22.831 1.932 10.690 1.00 41.41 H new ATOM 0 HG3 GLN A 48 23.386 0.270 10.678 1.00 41.41 H new ATOM 0 HE21 GLN A 48 22.839 2.745 13.247 1.00 3.25 H new ATOM 0 HE22 GLN A 48 21.813 1.716 14.251 1.00 3.25 H new ATOM 781 N ILE A 49 25.223 0.013 8.826 1.00 71.52 N ATOM 782 CA ILE A 49 25.427 -1.280 8.183 1.00 11.13 C ATOM 783 C ILE A 49 26.678 -1.269 7.311 1.00 13.12 C ATOM 784 O ILE A 49 27.678 -1.911 7.633 1.00 22.22 O ATOM 785 CB ILE A 49 24.215 -1.676 7.319 1.00 65.22 C ATOM 786 CG1 ILE A 49 22.937 -1.670 8.160 1.00 63.01 C ATOM 787 CG2 ILE A 49 24.437 -3.045 6.692 1.00 1.22 C ATOM 788 CD1 ILE A 49 22.981 -2.624 9.333 1.00 61.22 C ATOM 0 H ILE A 49 24.475 0.574 8.418 1.00 71.52 H new ATOM 0 HA ILE A 49 25.550 -2.013 8.980 1.00 11.13 H new ATOM 0 HB ILE A 49 24.103 -0.945 6.519 1.00 65.22 H new ATOM 0 HG12 ILE A 49 22.760 -0.660 8.530 1.00 63.01 H new ATOM 0 HG13 ILE A 49 22.091 -1.929 7.523 1.00 63.01 H new ATOM 0 HG21 ILE A 49 23.572 -3.311 6.084 1.00 1.22 H new ATOM 0 HG22 ILE A 49 25.327 -3.017 6.064 1.00 1.22 H new ATOM 0 HG23 ILE A 49 24.571 -3.788 7.478 1.00 1.22 H new ATOM 0 HD11 ILE A 49 22.042 -2.567 9.884 1.00 61.22 H new ATOM 0 HD12 ILE A 49 23.127 -3.641 8.969 1.00 61.22 H new ATOM 0 HD13 ILE A 49 23.806 -2.353 9.992 1.00 61.22 H new ATOM 800 N LEU A 50 26.615 -0.534 6.206 1.00 4.14 N ATOM 801 CA LEU A 50 27.744 -0.437 5.287 1.00 1.23 C ATOM 802 C LEU A 50 28.825 0.483 5.847 1.00 34.11 C ATOM 803 O LEU A 50 29.986 0.095 5.962 1.00 63.32 O ATOM 804 CB LEU A 50 27.275 0.078 3.925 1.00 3.13 C ATOM 805 CG LEU A 50 25.955 -0.495 3.409 1.00 21.31 C ATOM 806 CD1 LEU A 50 25.480 0.275 2.187 1.00 65.24 C ATOM 807 CD2 LEU A 50 26.107 -1.974 3.084 1.00 33.24 C ATOM 0 H LEU A 50 25.795 0.003 5.925 1.00 4.14 H new ATOM 0 HA LEU A 50 28.169 -1.434 5.165 1.00 1.23 H new ATOM 0 HB2 LEU A 50 27.180 1.162 3.982 1.00 3.13 H new ATOM 0 HB3 LEU A 50 28.052 -0.135 3.191 1.00 3.13 H new ATOM 0 HG LEU A 50 25.205 -0.391 4.193 1.00 21.31 H new ATOM 0 HD11 LEU A 50 24.539 -0.147 1.834 1.00 65.24 H new ATOM 0 HD12 LEU A 50 25.331 1.322 2.452 1.00 65.24 H new ATOM 0 HD13 LEU A 50 26.229 0.203 1.398 1.00 65.24 H new ATOM 0 HD21 LEU A 50 25.158 -2.366 2.718 1.00 33.24 H new ATOM 0 HD22 LEU A 50 26.872 -2.101 2.318 1.00 33.24 H new ATOM 0 HD23 LEU A 50 26.401 -2.516 3.983 1.00 33.24 H new ATOM 819 N GLY A 51 28.432 1.705 6.196 1.00 23.53 N ATOM 820 CA GLY A 51 29.379 2.660 6.742 1.00 34.20 C ATOM 821 C GLY A 51 29.338 3.993 6.021 1.00 34.25 C ATOM 822 O GLY A 51 30.031 4.935 6.406 1.00 61.03 O ATOM 0 H GLY A 51 27.476 2.050 6.110 1.00 23.53 H new ATOM 0 HA2 GLY A 51 29.165 2.815 7.799 1.00 34.20 H new ATOM 0 HA3 GLY A 51 30.385 2.246 6.678 1.00 34.20 H new ATOM 826 N ILE A 52 28.525 4.072 4.973 1.00 13.35 N ATOM 827 CA ILE A 52 28.397 5.300 4.198 1.00 61.44 C ATOM 828 C ILE A 52 28.108 6.493 5.101 1.00 13.51 C ATOM 829 O ILE A 52 27.492 6.352 6.158 1.00 40.01 O ATOM 830 CB ILE A 52 27.280 5.186 3.143 1.00 25.51 C ATOM 831 CG1 ILE A 52 27.325 6.382 2.190 1.00 35.04 C ATOM 832 CG2 ILE A 52 25.921 5.090 3.819 1.00 20.25 C ATOM 833 CD1 ILE A 52 26.970 6.031 0.762 1.00 23.34 C ATOM 0 H ILE A 52 27.946 3.301 4.641 1.00 13.35 H new ATOM 0 HA ILE A 52 29.350 5.454 3.692 1.00 61.44 H new ATOM 0 HB ILE A 52 27.440 4.277 2.563 1.00 25.51 H new ATOM 0 HG12 ILE A 52 26.638 7.148 2.549 1.00 35.04 H new ATOM 0 HG13 ILE A 52 28.325 6.816 2.211 1.00 35.04 H new ATOM 0 HG21 ILE A 52 25.142 5.010 3.061 1.00 20.25 H new ATOM 0 HG22 ILE A 52 25.895 4.209 4.460 1.00 20.25 H new ATOM 0 HG23 ILE A 52 25.750 5.982 4.421 1.00 20.25 H new ATOM 0 HD11 ILE A 52 27.023 6.927 0.143 1.00 23.34 H new ATOM 0 HD12 ILE A 52 27.672 5.288 0.385 1.00 23.34 H new ATOM 0 HD13 ILE A 52 25.959 5.625 0.728 1.00 23.34 H new ATOM 845 N LYS A 53 28.554 7.671 4.677 1.00 24.05 N ATOM 846 CA LYS A 53 28.341 8.892 5.445 1.00 25.05 C ATOM 847 C LYS A 53 27.800 10.007 4.556 1.00 31.42 C ATOM 848 O LYS A 53 27.703 9.851 3.339 1.00 62.04 O ATOM 849 CB LYS A 53 29.649 9.340 6.103 1.00 33.43 C ATOM 850 CG LYS A 53 30.823 9.404 5.142 1.00 73.32 C ATOM 851 CD LYS A 53 32.083 9.896 5.833 1.00 42.43 C ATOM 852 CE LYS A 53 32.994 10.639 4.867 1.00 21.02 C ATOM 853 NZ LYS A 53 33.963 11.516 5.582 1.00 74.04 N ATOM 0 H LYS A 53 29.066 7.806 3.805 1.00 24.05 H new ATOM 0 HA LYS A 53 27.605 8.680 6.220 1.00 25.05 H new ATOM 0 HB2 LYS A 53 29.503 10.323 6.550 1.00 33.43 H new ATOM 0 HB3 LYS A 53 29.891 8.654 6.914 1.00 33.43 H new ATOM 0 HG2 LYS A 53 31.002 8.416 4.718 1.00 73.32 H new ATOM 0 HG3 LYS A 53 30.579 10.067 4.312 1.00 73.32 H new ATOM 0 HD2 LYS A 53 31.813 10.554 6.659 1.00 42.43 H new ATOM 0 HD3 LYS A 53 32.619 9.049 6.262 1.00 42.43 H new ATOM 0 HE2 LYS A 53 33.538 9.920 4.255 1.00 21.02 H new ATOM 0 HE3 LYS A 53 32.390 11.242 4.189 1.00 21.02 H new ATOM 0 HZ1 LYS A 53 34.565 12.005 4.889 1.00 74.04 H new ATOM 0 HZ2 LYS A 53 33.444 12.219 6.146 1.00 74.04 H new ATOM 0 HZ3 LYS A 53 34.557 10.938 6.210 1.00 74.04 H new