USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 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 Single : A 6 LYS NZ :NH3+ -150:sc= 0.0631 (180deg=-0.000907) USER MOD Single : A 9 GLN : amide:sc= -0.0869 K(o=-0.087,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= -0.126 (180deg=-0.672) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.126 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 X(o=0,f=-0.067) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.024) USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.865) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 44 SER OG : rot 98:sc= 0.245 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.161 (180deg=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.000845) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.514 -1.334 -1.658 1.00 43.03 N ATOM 19 CA ALA A 2 4.913 -1.586 -1.982 1.00 40.21 C ATOM 20 C ALA A 2 5.793 -0.411 -1.568 1.00 55.11 C ATOM 21 O ALA A 2 5.843 0.610 -2.252 1.00 45.32 O ATOM 22 CB ALA A 2 5.068 -1.865 -3.470 1.00 23.54 C ATOM 0 HA ALA A 2 5.237 -2.464 -1.423 1.00 40.21 H new ATOM 0 HB1 ALA A 2 6.117 -2.051 -3.698 1.00 23.54 H new ATOM 0 HB2 ALA A 2 4.477 -2.740 -3.740 1.00 23.54 H new ATOM 0 HB3 ALA A 2 4.721 -1.003 -4.040 1.00 23.54 H new ATOM 28 N GLY A 3 6.484 -0.563 -0.442 1.00 51.35 N ATOM 29 CA GLY A 3 7.351 0.494 0.043 1.00 4.35 C ATOM 30 C GLY A 3 8.801 0.277 -0.342 1.00 4.34 C ATOM 31 O GLY A 3 9.602 1.212 -0.325 1.00 43.20 O ATOM 0 H GLY A 3 6.459 -1.399 0.142 1.00 51.35 H new ATOM 0 HA2 GLY A 3 7.012 1.450 -0.356 1.00 4.35 H new ATOM 0 HA3 GLY A 3 7.272 0.555 1.128 1.00 4.35 H new ATOM 35 N PHE A 4 9.141 -0.960 -0.688 1.00 2.11 N ATOM 36 CA PHE A 4 10.506 -1.298 -1.076 1.00 54.41 C ATOM 37 C PHE A 4 10.984 -0.402 -2.215 1.00 63.54 C ATOM 38 O PHE A 4 11.979 0.312 -2.083 1.00 61.22 O ATOM 39 CB PHE A 4 10.590 -2.766 -1.497 1.00 21.44 C ATOM 40 CG PHE A 4 11.977 -3.204 -1.871 1.00 42.23 C ATOM 41 CD1 PHE A 4 12.482 -2.945 -3.136 1.00 14.04 C ATOM 42 CD2 PHE A 4 12.777 -3.873 -0.959 1.00 71.43 C ATOM 43 CE1 PHE A 4 13.757 -3.347 -3.483 1.00 64.21 C ATOM 44 CE2 PHE A 4 14.054 -4.278 -1.301 1.00 13.30 C ATOM 45 CZ PHE A 4 14.545 -4.013 -2.564 1.00 71.24 C ATOM 0 H PHE A 4 8.490 -1.745 -0.708 1.00 2.11 H new ATOM 0 HA PHE A 4 11.153 -1.137 -0.214 1.00 54.41 H new ATOM 0 HB2 PHE A 4 10.228 -3.391 -0.681 1.00 21.44 H new ATOM 0 HB3 PHE A 4 9.925 -2.931 -2.344 1.00 21.44 H new ATOM 0 HD1 PHE A 4 11.872 -2.423 -3.858 1.00 14.04 H new ATOM 0 HD2 PHE A 4 12.399 -4.081 0.031 1.00 71.43 H new ATOM 0 HE1 PHE A 4 14.138 -3.141 -4.472 1.00 64.21 H new ATOM 0 HE2 PHE A 4 14.666 -4.801 -0.581 1.00 13.30 H new ATOM 0 HZ PHE A 4 15.543 -4.326 -2.833 1.00 71.24 H new ATOM 55 N LEU A 5 10.270 -0.447 -3.334 1.00 51.35 N ATOM 56 CA LEU A 5 10.621 0.359 -4.499 1.00 13.54 C ATOM 57 C LEU A 5 10.712 1.837 -4.130 1.00 72.13 C ATOM 58 O LEU A 5 11.428 2.605 -4.773 1.00 13.31 O ATOM 59 CB LEU A 5 9.589 0.162 -5.610 1.00 73.12 C ATOM 60 CG LEU A 5 9.709 -1.132 -6.416 1.00 22.34 C ATOM 61 CD1 LEU A 5 11.110 -1.274 -6.991 1.00 74.43 C ATOM 62 CD2 LEU A 5 9.362 -2.334 -5.549 1.00 24.12 C ATOM 0 H LEU A 5 9.445 -1.033 -3.460 1.00 51.35 H new ATOM 0 HA LEU A 5 11.597 0.031 -4.857 1.00 13.54 H new ATOM 0 HB2 LEU A 5 8.595 0.199 -5.165 1.00 73.12 H new ATOM 0 HB3 LEU A 5 9.661 1.004 -6.299 1.00 73.12 H new ATOM 0 HG LEU A 5 9.001 -1.090 -7.244 1.00 22.34 H new ATOM 0 HD11 LEU A 5 11.177 -2.200 -7.561 1.00 74.43 H new ATOM 0 HD12 LEU A 5 11.322 -0.429 -7.646 1.00 74.43 H new ATOM 0 HD13 LEU A 5 11.836 -1.295 -6.179 1.00 74.43 H new ATOM 0 HD21 LEU A 5 9.453 -3.246 -6.139 1.00 24.12 H new ATOM 0 HD22 LEU A 5 10.045 -2.381 -4.701 1.00 24.12 H new ATOM 0 HD23 LEU A 5 8.339 -2.237 -5.185 1.00 24.12 H new ATOM 74 N LYS A 6 9.983 2.228 -3.090 1.00 41.14 N ATOM 75 CA LYS A 6 9.983 3.612 -2.633 1.00 3.52 C ATOM 76 C LYS A 6 11.259 3.930 -1.859 1.00 32.41 C ATOM 77 O LYS A 6 11.984 4.867 -2.194 1.00 74.41 O ATOM 78 CB LYS A 6 8.760 3.881 -1.753 1.00 22.51 C ATOM 79 CG LYS A 6 7.464 3.339 -2.331 1.00 24.40 C ATOM 80 CD LYS A 6 7.127 3.997 -3.658 1.00 44.31 C ATOM 81 CE LYS A 6 5.990 3.277 -4.365 1.00 73.41 C ATOM 82 NZ LYS A 6 6.453 2.027 -5.029 1.00 74.22 N ATOM 0 H LYS A 6 9.384 1.605 -2.548 1.00 41.14 H new ATOM 0 HA LYS A 6 9.941 4.257 -3.510 1.00 3.52 H new ATOM 0 HB2 LYS A 6 8.924 3.436 -0.771 1.00 22.51 H new ATOM 0 HB3 LYS A 6 8.660 4.956 -1.603 1.00 22.51 H new ATOM 0 HG2 LYS A 6 7.549 2.261 -2.470 1.00 24.40 H new ATOM 0 HG3 LYS A 6 6.651 3.506 -1.624 1.00 24.40 H new ATOM 0 HD2 LYS A 6 6.851 5.038 -3.489 1.00 44.31 H new ATOM 0 HD3 LYS A 6 8.010 4.001 -4.298 1.00 44.31 H new ATOM 0 HE2 LYS A 6 5.208 3.037 -3.644 1.00 73.41 H new ATOM 0 HE3 LYS A 6 5.546 3.940 -5.108 1.00 73.41 H new ATOM 0 HZ1 LYS A 6 5.866 1.841 -5.867 1.00 74.22 H new ATOM 0 HZ2 LYS A 6 7.446 2.135 -5.319 1.00 74.22 H new ATOM 0 HZ3 LYS A 6 6.372 1.231 -4.365 1.00 74.22 H new ATOM 96 N VAL A 7 11.528 3.142 -0.823 1.00 23.14 N ATOM 97 CA VAL A 7 12.718 3.337 -0.003 1.00 0.33 C ATOM 98 C VAL A 7 13.988 3.193 -0.834 1.00 11.21 C ATOM 99 O VAL A 7 15.046 3.703 -0.465 1.00 13.43 O ATOM 100 CB VAL A 7 12.766 2.334 1.165 1.00 14.54 C ATOM 101 CG1 VAL A 7 11.611 2.578 2.125 1.00 21.34 C ATOM 102 CG2 VAL A 7 12.743 0.906 0.642 1.00 11.32 C ATOM 0 H VAL A 7 10.938 2.363 -0.532 1.00 23.14 H new ATOM 0 HA VAL A 7 12.663 4.349 0.399 1.00 0.33 H new ATOM 0 HB VAL A 7 13.698 2.481 1.710 1.00 14.54 H new ATOM 0 HG11 VAL A 7 11.661 1.860 2.944 1.00 21.34 H new ATOM 0 HG12 VAL A 7 11.678 3.590 2.525 1.00 21.34 H new ATOM 0 HG13 VAL A 7 10.666 2.459 1.595 1.00 21.34 H new ATOM 0 HG21 VAL A 7 12.778 0.211 1.481 1.00 11.32 H new ATOM 0 HG22 VAL A 7 11.828 0.742 0.072 1.00 11.32 H new ATOM 0 HG23 VAL A 7 13.607 0.741 -0.002 1.00 11.32 H new ATOM 112 N VAL A 8 13.876 2.495 -1.959 1.00 70.33 N ATOM 113 CA VAL A 8 15.015 2.284 -2.845 1.00 11.30 C ATOM 114 C VAL A 8 15.172 3.443 -3.824 1.00 35.25 C ATOM 115 O VAL A 8 16.266 3.703 -4.321 1.00 44.23 O ATOM 116 CB VAL A 8 14.874 0.972 -3.639 1.00 33.13 C ATOM 117 CG1 VAL A 8 16.045 0.796 -4.593 1.00 23.14 C ATOM 118 CG2 VAL A 8 14.764 -0.214 -2.692 1.00 11.32 C ATOM 0 H VAL A 8 13.008 2.066 -2.279 1.00 70.33 H new ATOM 0 HA VAL A 8 15.901 2.223 -2.212 1.00 11.30 H new ATOM 0 HB VAL A 8 13.960 1.022 -4.230 1.00 33.13 H new ATOM 0 HG11 VAL A 8 15.928 -0.137 -5.145 1.00 23.14 H new ATOM 0 HG12 VAL A 8 16.073 1.631 -5.293 1.00 23.14 H new ATOM 0 HG13 VAL A 8 16.975 0.767 -4.026 1.00 23.14 H new ATOM 0 HG21 VAL A 8 14.665 -1.133 -3.270 1.00 11.32 H new ATOM 0 HG22 VAL A 8 15.659 -0.269 -2.073 1.00 11.32 H new ATOM 0 HG23 VAL A 8 13.889 -0.090 -2.054 1.00 11.32 H new ATOM 128 N GLN A 9 14.069 4.135 -4.094 1.00 25.10 N ATOM 129 CA GLN A 9 14.085 5.266 -5.014 1.00 10.23 C ATOM 130 C GLN A 9 14.955 6.396 -4.473 1.00 21.25 C ATOM 131 O GLN A 9 15.531 7.171 -5.237 1.00 65.42 O ATOM 132 CB GLN A 9 12.662 5.774 -5.255 1.00 63.55 C ATOM 133 CG GLN A 9 11.915 5.001 -6.331 1.00 24.24 C ATOM 134 CD GLN A 9 12.004 5.661 -7.692 1.00 45.13 C ATOM 135 OE1 GLN A 9 12.811 6.567 -7.904 1.00 13.40 O ATOM 136 NE2 GLN A 9 11.174 5.209 -8.625 1.00 44.41 N ATOM 0 H GLN A 9 13.155 3.932 -3.689 1.00 25.10 H new ATOM 0 HA GLN A 9 14.508 4.927 -5.960 1.00 10.23 H new ATOM 0 HB2 GLN A 9 12.101 5.716 -4.322 1.00 63.55 H new ATOM 0 HB3 GLN A 9 12.703 6.826 -5.537 1.00 63.55 H new ATOM 0 HG2 GLN A 9 12.320 3.991 -6.394 1.00 24.24 H new ATOM 0 HG3 GLN A 9 10.867 4.907 -6.045 1.00 24.24 H new ATOM 0 HE21 GLN A 9 10.521 4.456 -8.406 1.00 44.41 H new ATOM 0 HE22 GLN A 9 11.189 5.614 -9.561 1.00 44.41 H new ATOM 145 N LEU A 10 15.046 6.484 -3.150 1.00 51.32 N ATOM 146 CA LEU A 10 15.846 7.520 -2.506 1.00 0.11 C ATOM 147 C LEU A 10 17.333 7.192 -2.593 1.00 2.40 C ATOM 148 O LEU A 10 18.174 8.089 -2.668 1.00 2.22 O ATOM 149 CB LEU A 10 15.431 7.676 -1.042 1.00 23.53 C ATOM 150 CG LEU A 10 14.281 8.646 -0.769 1.00 61.53 C ATOM 151 CD1 LEU A 10 14.705 10.075 -1.071 1.00 21.52 C ATOM 152 CD2 LEU A 10 13.057 8.266 -1.590 1.00 64.23 C ATOM 0 H LEU A 10 14.576 5.851 -2.503 1.00 51.32 H new ATOM 0 HA LEU A 10 15.669 8.460 -3.029 1.00 0.11 H new ATOM 0 HB2 LEU A 10 15.151 6.695 -0.658 1.00 23.53 H new ATOM 0 HB3 LEU A 10 16.300 8.005 -0.472 1.00 23.53 H new ATOM 0 HG LEU A 10 14.020 8.582 0.287 1.00 61.53 H new ATOM 0 HD11 LEU A 10 13.874 10.751 -0.871 1.00 21.52 H new ATOM 0 HD12 LEU A 10 15.552 10.344 -0.440 1.00 21.52 H new ATOM 0 HD13 LEU A 10 14.994 10.155 -2.119 1.00 21.52 H new ATOM 0 HD21 LEU A 10 12.248 8.967 -1.383 1.00 64.23 H new ATOM 0 HD22 LEU A 10 13.305 8.301 -2.651 1.00 64.23 H new ATOM 0 HD23 LEU A 10 12.740 7.257 -1.325 1.00 64.23 H new ATOM 164 N LEU A 11 17.651 5.903 -2.585 1.00 32.52 N ATOM 165 CA LEU A 11 19.037 5.455 -2.665 1.00 41.43 C ATOM 166 C LEU A 11 19.707 5.984 -3.929 1.00 43.33 C ATOM 167 O LEU A 11 20.931 6.099 -3.993 1.00 51.04 O ATOM 168 CB LEU A 11 19.103 3.927 -2.641 1.00 0.44 C ATOM 169 CG LEU A 11 19.290 3.286 -1.265 1.00 64.23 C ATOM 170 CD1 LEU A 11 20.583 3.765 -0.624 1.00 44.33 C ATOM 171 CD2 LEU A 11 18.101 3.594 -0.367 1.00 24.52 C ATOM 0 H LEU A 11 16.967 5.148 -2.524 1.00 32.52 H new ATOM 0 HA LEU A 11 19.571 5.849 -1.800 1.00 41.43 H new ATOM 0 HB2 LEU A 11 18.185 3.536 -3.080 1.00 0.44 H new ATOM 0 HB3 LEU A 11 19.924 3.608 -3.283 1.00 0.44 H new ATOM 0 HG LEU A 11 19.352 2.205 -1.394 1.00 64.23 H new ATOM 0 HD11 LEU A 11 20.699 3.298 0.354 1.00 44.33 H new ATOM 0 HD12 LEU A 11 21.426 3.492 -1.258 1.00 44.33 H new ATOM 0 HD13 LEU A 11 20.552 4.848 -0.508 1.00 44.33 H new ATOM 0 HD21 LEU A 11 18.251 3.130 0.608 1.00 24.52 H new ATOM 0 HD22 LEU A 11 18.007 4.673 -0.245 1.00 24.52 H new ATOM 0 HD23 LEU A 11 17.191 3.200 -0.820 1.00 24.52 H new ATOM 183 N ALA A 12 18.897 6.307 -4.932 1.00 32.11 N ATOM 184 CA ALA A 12 19.411 6.828 -6.192 1.00 71.25 C ATOM 185 C ALA A 12 20.347 8.008 -5.958 1.00 5.15 C ATOM 186 O ALA A 12 21.365 8.152 -6.636 1.00 74.11 O ATOM 187 CB ALA A 12 18.262 7.236 -7.103 1.00 0.35 C ATOM 0 H ALA A 12 17.882 6.217 -4.896 1.00 32.11 H new ATOM 0 HA ALA A 12 19.982 6.036 -6.677 1.00 71.25 H new ATOM 0 HB1 ALA A 12 18.661 7.623 -8.041 1.00 0.35 H new ATOM 0 HB2 ALA A 12 17.634 6.369 -7.307 1.00 0.35 H new ATOM 0 HB3 ALA A 12 17.667 8.008 -6.615 1.00 0.35 H new ATOM 193 N LYS A 13 19.998 8.852 -4.993 1.00 32.15 N ATOM 194 CA LYS A 13 20.807 10.020 -4.667 1.00 11.32 C ATOM 195 C LYS A 13 22.132 9.606 -4.036 1.00 23.41 C ATOM 196 O LYS A 13 23.146 10.286 -4.195 1.00 21.05 O ATOM 197 CB LYS A 13 20.044 10.945 -3.715 1.00 43.14 C ATOM 198 CG LYS A 13 19.969 10.424 -2.291 1.00 1.03 C ATOM 199 CD LYS A 13 21.075 11.004 -1.426 1.00 3.35 C ATOM 200 CE LYS A 13 20.639 12.298 -0.756 1.00 55.31 C ATOM 201 NZ LYS A 13 20.834 13.476 -1.646 1.00 14.41 N ATOM 0 H LYS A 13 19.159 8.748 -4.422 1.00 32.15 H new ATOM 0 HA LYS A 13 21.017 10.555 -5.593 1.00 11.32 H new ATOM 0 HB2 LYS A 13 20.524 11.924 -3.710 1.00 43.14 H new ATOM 0 HB3 LYS A 13 19.032 11.088 -4.094 1.00 43.14 H new ATOM 0 HG2 LYS A 13 19.000 10.676 -1.861 1.00 1.03 H new ATOM 0 HG3 LYS A 13 20.042 9.336 -2.296 1.00 1.03 H new ATOM 0 HD2 LYS A 13 21.362 10.278 -0.665 1.00 3.35 H new ATOM 0 HD3 LYS A 13 21.958 11.190 -2.038 1.00 3.35 H new ATOM 0 HE2 LYS A 13 19.588 12.225 -0.475 1.00 55.31 H new ATOM 0 HE3 LYS A 13 21.206 12.440 0.164 1.00 55.31 H new ATOM 0 HZ1 LYS A 13 21.158 14.288 -1.082 1.00 14.41 H new ATOM 0 HZ2 LYS A 13 21.547 13.251 -2.369 1.00 14.41 H new ATOM 0 HZ3 LYS A 13 19.934 13.714 -2.110 1.00 14.41 H new ATOM 215 N TYR A 14 22.117 8.486 -3.322 1.00 24.41 N ATOM 216 CA TYR A 14 23.318 7.981 -2.667 1.00 22.04 C ATOM 217 C TYR A 14 24.301 7.418 -3.689 1.00 2.43 C ATOM 218 O TYR A 14 25.511 7.613 -3.576 1.00 73.31 O ATOM 219 CB TYR A 14 22.952 6.901 -1.646 1.00 45.54 C ATOM 220 CG TYR A 14 22.581 7.453 -0.288 1.00 73.35 C ATOM 221 CD1 TYR A 14 23.553 7.948 0.572 1.00 34.43 C ATOM 222 CD2 TYR A 14 21.257 7.479 0.133 1.00 0.54 C ATOM 223 CE1 TYR A 14 23.217 8.451 1.814 1.00 3.31 C ATOM 224 CE2 TYR A 14 20.912 7.983 1.373 1.00 64.21 C ATOM 225 CZ TYR A 14 21.896 8.467 2.210 1.00 41.02 C ATOM 226 OH TYR A 14 21.558 8.969 3.445 1.00 10.35 O ATOM 0 H TYR A 14 21.287 7.911 -3.182 1.00 24.41 H new ATOM 0 HA TYR A 14 23.796 8.813 -2.150 1.00 22.04 H new ATOM 0 HB2 TYR A 14 22.117 6.316 -2.032 1.00 45.54 H new ATOM 0 HB3 TYR A 14 23.794 6.218 -1.534 1.00 45.54 H new ATOM 0 HD1 TYR A 14 24.588 7.940 0.265 1.00 34.43 H new ATOM 0 HD2 TYR A 14 20.485 7.099 -0.519 1.00 0.54 H new ATOM 0 HE1 TYR A 14 23.985 8.830 2.472 1.00 3.31 H new ATOM 0 HE2 TYR A 14 19.878 7.998 1.685 1.00 64.21 H new ATOM 0 HH TYR A 14 20.829 9.617 3.347 1.00 10.35 H new ATOM 236 N GLY A 15 23.771 6.720 -4.688 1.00 32.41 N ATOM 237 CA GLY A 15 24.614 6.139 -5.717 1.00 11.42 C ATOM 238 C GLY A 15 24.091 4.805 -6.210 1.00 64.31 C ATOM 239 O GLY A 15 22.881 4.597 -6.295 1.00 0.14 O ATOM 0 H GLY A 15 22.773 6.546 -4.804 1.00 32.41 H new ATOM 0 HA2 GLY A 15 24.686 6.830 -6.557 1.00 11.42 H new ATOM 0 HA3 GLY A 15 25.623 6.008 -5.325 1.00 11.42 H new ATOM 243 N SER A 16 25.006 3.898 -6.539 1.00 32.35 N ATOM 244 CA SER A 16 24.631 2.578 -7.032 1.00 34.33 C ATOM 245 C SER A 16 25.085 1.488 -6.066 1.00 30.42 C ATOM 246 O SER A 16 24.502 0.404 -6.014 1.00 41.35 O ATOM 247 CB SER A 16 25.238 2.335 -8.415 1.00 11.13 C ATOM 248 OG SER A 16 24.652 3.185 -9.385 1.00 73.04 O ATOM 0 H SER A 16 26.012 4.053 -6.473 1.00 32.35 H new ATOM 0 HA SER A 16 23.544 2.542 -7.109 1.00 34.33 H new ATOM 0 HB2 SER A 16 26.314 2.507 -8.379 1.00 11.13 H new ATOM 0 HB3 SER A 16 25.091 1.294 -8.703 1.00 11.13 H new ATOM 0 HG SER A 16 25.058 3.012 -10.260 1.00 73.04 H new ATOM 254 N LYS A 17 26.131 1.782 -5.301 1.00 13.22 N ATOM 255 CA LYS A 17 26.665 0.830 -4.335 1.00 30.24 C ATOM 256 C LYS A 17 25.703 0.643 -3.165 1.00 43.54 C ATOM 257 O LYS A 17 25.699 -0.400 -2.514 1.00 32.34 O ATOM 258 CB LYS A 17 28.026 1.304 -3.819 1.00 74.01 C ATOM 259 CG LYS A 17 29.020 1.615 -4.924 1.00 61.02 C ATOM 260 CD LYS A 17 30.317 2.175 -4.366 1.00 4.04 C ATOM 261 CE LYS A 17 31.457 2.045 -5.365 1.00 32.42 C ATOM 262 NZ LYS A 17 31.337 3.030 -6.475 1.00 12.24 N ATOM 0 H LYS A 17 26.626 2.673 -5.332 1.00 13.22 H new ATOM 0 HA LYS A 17 26.788 -0.129 -4.838 1.00 30.24 H new ATOM 0 HB2 LYS A 17 27.883 2.196 -3.208 1.00 74.01 H new ATOM 0 HB3 LYS A 17 28.446 0.537 -3.169 1.00 74.01 H new ATOM 0 HG2 LYS A 17 29.229 0.709 -5.492 1.00 61.02 H new ATOM 0 HG3 LYS A 17 28.582 2.332 -5.618 1.00 61.02 H new ATOM 0 HD2 LYS A 17 30.179 3.224 -4.105 1.00 4.04 H new ATOM 0 HD3 LYS A 17 30.576 1.649 -3.447 1.00 4.04 H new ATOM 0 HE2 LYS A 17 32.408 2.190 -4.852 1.00 32.42 H new ATOM 0 HE3 LYS A 17 31.467 1.035 -5.775 1.00 32.42 H new ATOM 0 HZ1 LYS A 17 32.132 2.909 -7.134 1.00 12.24 H new ATOM 0 HZ2 LYS A 17 30.442 2.876 -6.981 1.00 12.24 H new ATOM 0 HZ3 LYS A 17 31.353 3.995 -6.086 1.00 12.24 H new ATOM 276 N ALA A 18 24.889 1.662 -2.907 1.00 22.43 N ATOM 277 CA ALA A 18 23.921 1.608 -1.819 1.00 31.05 C ATOM 278 C ALA A 18 22.636 0.915 -2.260 1.00 65.22 C ATOM 279 O ALA A 18 22.182 -0.037 -1.625 1.00 4.23 O ATOM 280 CB ALA A 18 23.619 3.010 -1.311 1.00 54.34 C ATOM 0 H ALA A 18 24.881 2.534 -3.436 1.00 22.43 H new ATOM 0 HA ALA A 18 24.357 1.025 -1.007 1.00 31.05 H new ATOM 0 HB1 ALA A 18 22.894 2.954 -0.499 1.00 54.34 H new ATOM 0 HB2 ALA A 18 24.537 3.471 -0.947 1.00 54.34 H new ATOM 0 HB3 ALA A 18 23.208 3.611 -2.123 1.00 54.34 H new ATOM 286 N VAL A 19 22.054 1.398 -3.353 1.00 42.21 N ATOM 287 CA VAL A 19 20.822 0.825 -3.880 1.00 73.41 C ATOM 288 C VAL A 19 20.964 -0.678 -4.098 1.00 11.41 C ATOM 289 O VAL A 19 20.001 -1.429 -3.950 1.00 31.42 O ATOM 290 CB VAL A 19 20.417 1.489 -5.209 1.00 60.15 C ATOM 291 CG1 VAL A 19 21.471 1.234 -6.276 1.00 53.24 C ATOM 292 CG2 VAL A 19 19.055 0.986 -5.663 1.00 32.01 C ATOM 0 H VAL A 19 22.416 2.185 -3.891 1.00 42.21 H new ATOM 0 HA VAL A 19 20.045 1.010 -3.139 1.00 73.41 H new ATOM 0 HB VAL A 19 20.347 2.565 -5.051 1.00 60.15 H new ATOM 0 HG11 VAL A 19 21.168 1.711 -7.208 1.00 53.24 H new ATOM 0 HG12 VAL A 19 22.426 1.648 -5.951 1.00 53.24 H new ATOM 0 HG13 VAL A 19 21.576 0.161 -6.435 1.00 53.24 H new ATOM 0 HG21 VAL A 19 18.785 1.466 -6.604 1.00 32.01 H new ATOM 0 HG22 VAL A 19 19.095 -0.094 -5.805 1.00 32.01 H new ATOM 0 HG23 VAL A 19 18.308 1.225 -4.906 1.00 32.01 H new ATOM 302 N GLN A 20 22.171 -1.107 -4.450 1.00 24.32 N ATOM 303 CA GLN A 20 22.439 -2.521 -4.688 1.00 42.43 C ATOM 304 C GLN A 20 22.167 -3.345 -3.434 1.00 62.35 C ATOM 305 O GLN A 20 21.859 -4.534 -3.517 1.00 21.22 O ATOM 306 CB GLN A 20 23.888 -2.718 -5.139 1.00 13.04 C ATOM 307 CG GLN A 20 24.098 -3.964 -5.984 1.00 54.43 C ATOM 308 CD GLN A 20 25.477 -4.018 -6.610 1.00 62.43 C ATOM 309 OE1 GLN A 20 26.479 -3.721 -5.959 1.00 62.22 O ATOM 310 NE2 GLN A 20 25.536 -4.400 -7.881 1.00 24.13 N ATOM 0 H GLN A 20 22.979 -0.497 -4.577 1.00 24.32 H new ATOM 0 HA GLN A 20 21.771 -2.864 -5.478 1.00 42.43 H new ATOM 0 HB2 GLN A 20 24.204 -1.845 -5.710 1.00 13.04 H new ATOM 0 HB3 GLN A 20 24.529 -2.773 -4.259 1.00 13.04 H new ATOM 0 HG2 GLN A 20 23.950 -4.848 -5.364 1.00 54.43 H new ATOM 0 HG3 GLN A 20 23.344 -3.996 -6.771 1.00 54.43 H new ATOM 0 HE21 GLN A 20 24.680 -4.637 -8.383 1.00 24.13 H new ATOM 0 HE22 GLN A 20 26.437 -4.456 -8.355 1.00 24.13 H new ATOM 319 N TRP A 21 22.284 -2.707 -2.276 1.00 13.31 N ATOM 320 CA TRP A 21 22.051 -3.382 -1.004 1.00 74.14 C ATOM 321 C TRP A 21 20.597 -3.824 -0.881 1.00 74.44 C ATOM 322 O TRP A 21 20.309 -5.014 -0.751 1.00 2.33 O ATOM 323 CB TRP A 21 22.417 -2.461 0.161 1.00 55.25 C ATOM 324 CG TRP A 21 22.558 -3.182 1.467 1.00 62.34 C ATOM 325 CD1 TRP A 21 23.497 -4.120 1.787 1.00 65.51 C ATOM 326 CD2 TRP A 21 21.733 -3.025 2.626 1.00 21.51 C ATOM 327 NE1 TRP A 21 23.306 -4.556 3.076 1.00 70.41 N ATOM 328 CE2 TRP A 21 22.231 -3.899 3.613 1.00 75.44 C ATOM 329 CE3 TRP A 21 20.624 -2.231 2.928 1.00 41.42 C ATOM 330 CZ2 TRP A 21 21.655 -3.999 4.876 1.00 21.55 C ATOM 331 CZ3 TRP A 21 20.054 -2.331 4.183 1.00 60.34 C ATOM 332 CH2 TRP A 21 20.570 -3.210 5.145 1.00 43.44 C ATOM 0 H TRP A 21 22.539 -1.723 -2.191 1.00 13.31 H new ATOM 0 HA TRP A 21 22.685 -4.268 -0.970 1.00 74.14 H new ATOM 0 HB2 TRP A 21 23.353 -1.952 -0.068 1.00 55.25 H new ATOM 0 HB3 TRP A 21 21.652 -1.691 0.260 1.00 55.25 H new ATOM 0 HD1 TRP A 21 24.276 -4.468 1.124 1.00 65.51 H new ATOM 0 HE1 TRP A 21 23.873 -5.256 3.555 1.00 70.41 H new ATOM 0 HE3 TRP A 21 20.219 -1.551 2.193 1.00 41.42 H new ATOM 0 HZ2 TRP A 21 22.051 -4.676 5.618 1.00 21.55 H new ATOM 0 HZ3 TRP A 21 19.196 -1.721 4.427 1.00 60.34 H new ATOM 0 HH2 TRP A 21 20.102 -3.266 6.117 1.00 43.44 H new ATOM 343 N ALA A 22 19.683 -2.860 -0.925 1.00 5.35 N ATOM 344 CA ALA A 22 18.259 -3.151 -0.820 1.00 61.12 C ATOM 345 C ALA A 22 17.844 -4.226 -1.819 1.00 50.22 C ATOM 346 O ALA A 22 17.173 -5.193 -1.461 1.00 34.43 O ATOM 347 CB ALA A 22 17.444 -1.884 -1.036 1.00 21.43 C ATOM 0 H ALA A 22 19.904 -1.870 -1.033 1.00 5.35 H new ATOM 0 HA ALA A 22 18.063 -3.529 0.183 1.00 61.12 H new ATOM 0 HB1 ALA A 22 16.382 -2.116 -0.955 1.00 21.43 H new ATOM 0 HB2 ALA A 22 17.713 -1.145 -0.281 1.00 21.43 H new ATOM 0 HB3 ALA A 22 17.653 -1.482 -2.027 1.00 21.43 H new ATOM 353 N TRP A 23 18.247 -4.049 -3.072 1.00 73.12 N ATOM 354 CA TRP A 23 17.915 -5.004 -4.123 1.00 62.43 C ATOM 355 C TRP A 23 18.553 -6.361 -3.847 1.00 21.34 C ATOM 356 O TRP A 23 17.988 -7.403 -4.179 1.00 14.51 O ATOM 357 CB TRP A 23 18.377 -4.478 -5.483 1.00 75.03 C ATOM 358 CG TRP A 23 17.402 -3.531 -6.115 1.00 41.51 C ATOM 359 CD1 TRP A 23 17.587 -2.197 -6.344 1.00 13.22 C ATOM 360 CD2 TRP A 23 16.091 -3.845 -6.597 1.00 41.41 C ATOM 361 NE1 TRP A 23 16.469 -1.663 -6.939 1.00 42.10 N ATOM 362 CE2 TRP A 23 15.538 -2.653 -7.106 1.00 72.30 C ATOM 363 CE3 TRP A 23 15.332 -5.016 -6.650 1.00 75.44 C ATOM 364 CZ2 TRP A 23 14.261 -2.603 -7.659 1.00 11.44 C ATOM 365 CZ3 TRP A 23 14.064 -4.964 -7.199 1.00 22.31 C ATOM 366 CH2 TRP A 23 13.539 -3.765 -7.698 1.00 4.32 C ATOM 0 H TRP A 23 18.804 -3.254 -3.385 1.00 73.12 H new ATOM 0 HA TRP A 23 16.832 -5.128 -4.137 1.00 62.43 H new ATOM 0 HB2 TRP A 23 19.336 -3.974 -5.363 1.00 75.03 H new ATOM 0 HB3 TRP A 23 18.541 -5.321 -6.154 1.00 75.03 H new ATOM 0 HD1 TRP A 23 18.480 -1.644 -6.094 1.00 13.22 H new ATOM 0 HE1 TRP A 23 16.352 -0.687 -7.212 1.00 42.10 H new ATOM 0 HE3 TRP A 23 15.728 -5.946 -6.269 1.00 75.44 H new ATOM 0 HZ2 TRP A 23 13.854 -1.679 -8.044 1.00 11.44 H new ATOM 0 HZ3 TRP A 23 13.468 -5.864 -7.244 1.00 22.31 H new ATOM 0 HH2 TRP A 23 12.546 -3.757 -8.122 1.00 4.32 H new ATOM 377 N ALA A 24 19.733 -6.342 -3.236 1.00 65.01 N ATOM 378 CA ALA A 24 20.447 -7.572 -2.913 1.00 15.40 C ATOM 379 C ALA A 24 19.743 -8.338 -1.798 1.00 13.50 C ATOM 380 O ALA A 24 19.162 -9.397 -2.031 1.00 4.04 O ATOM 381 CB ALA A 24 21.882 -7.261 -2.517 1.00 44.53 C ATOM 0 H ALA A 24 20.215 -5.488 -2.955 1.00 65.01 H new ATOM 0 HA ALA A 24 20.456 -8.202 -3.802 1.00 15.40 H new ATOM 0 HB1 ALA A 24 22.403 -8.188 -2.279 1.00 44.53 H new ATOM 0 HB2 ALA A 24 22.388 -6.763 -3.344 1.00 44.53 H new ATOM 0 HB3 ALA A 24 21.885 -6.608 -1.644 1.00 44.53 H new ATOM 387 N ASN A 25 19.799 -7.794 -0.586 1.00 60.32 N ATOM 388 CA ASN A 25 19.168 -8.428 0.566 1.00 74.05 C ATOM 389 C ASN A 25 17.732 -7.941 0.735 1.00 75.42 C ATOM 390 O ASN A 25 17.478 -6.740 0.830 1.00 61.31 O ATOM 391 CB ASN A 25 19.969 -8.139 1.836 1.00 1.43 C ATOM 392 CG ASN A 25 21.436 -8.492 1.687 1.00 4.43 C ATOM 393 OD1 ASN A 25 21.798 -9.665 1.598 1.00 20.02 O ATOM 394 ND2 ASN A 25 22.290 -7.474 1.660 1.00 74.41 N ATOM 0 H ASN A 25 20.275 -6.916 -0.377 1.00 60.32 H new ATOM 0 HA ASN A 25 19.151 -9.504 0.393 1.00 74.05 H new ATOM 0 HB2 ASN A 25 19.876 -7.083 2.088 1.00 1.43 H new ATOM 0 HB3 ASN A 25 19.545 -8.704 2.666 1.00 1.43 H new ATOM 0 HD21 ASN A 25 23.290 -7.650 1.562 1.00 74.41 H new ATOM 0 HD22 ASN A 25 21.945 -6.517 1.737 1.00 74.41 H new ATOM 401 N LYS A 26 16.794 -8.883 0.772 1.00 3.51 N ATOM 402 CA LYS A 26 15.383 -8.552 0.932 1.00 42.11 C ATOM 403 C LYS A 26 14.744 -9.407 2.021 1.00 31.20 C ATOM 404 O LYS A 26 14.968 -10.615 2.087 1.00 3.01 O ATOM 405 CB LYS A 26 14.639 -8.751 -0.390 1.00 52.34 C ATOM 406 CG LYS A 26 14.427 -10.210 -0.756 1.00 11.34 C ATOM 407 CD LYS A 26 13.772 -10.354 -2.119 1.00 14.21 C ATOM 408 CE LYS A 26 13.459 -11.808 -2.436 1.00 71.12 C ATOM 409 NZ LYS A 26 14.697 -12.613 -2.625 1.00 63.24 N ATOM 0 H LYS A 26 16.986 -9.882 0.693 1.00 3.51 H new ATOM 0 HA LYS A 26 15.312 -7.505 1.228 1.00 42.11 H new ATOM 0 HB2 LYS A 26 13.670 -8.256 -0.330 1.00 52.34 H new ATOM 0 HB3 LYS A 26 15.197 -8.262 -1.188 1.00 52.34 H new ATOM 0 HG2 LYS A 26 15.385 -10.729 -0.755 1.00 11.34 H new ATOM 0 HG3 LYS A 26 13.805 -10.689 0.000 1.00 11.34 H new ATOM 0 HD2 LYS A 26 12.853 -9.769 -2.146 1.00 14.21 H new ATOM 0 HD3 LYS A 26 14.431 -9.947 -2.886 1.00 14.21 H new ATOM 0 HE2 LYS A 26 12.867 -12.237 -1.627 1.00 71.12 H new ATOM 0 HE3 LYS A 26 12.851 -11.860 -3.339 1.00 71.12 H new ATOM 0 HZ1 LYS A 26 14.443 -13.577 -2.922 1.00 63.24 H new ATOM 0 HZ2 LYS A 26 15.291 -12.171 -3.356 1.00 63.24 H new ATOM 0 HZ3 LYS A 26 15.224 -12.655 -1.729 1.00 63.24 H new ATOM 423 N GLY A 27 13.945 -8.772 2.873 1.00 32.33 N ATOM 424 CA GLY A 27 13.284 -9.491 3.947 1.00 23.30 C ATOM 425 C GLY A 27 13.382 -8.768 5.275 1.00 2.14 C ATOM 426 O GLY A 27 12.469 -8.837 6.098 1.00 73.11 O ATOM 0 H GLY A 27 13.744 -7.773 2.839 1.00 32.33 H new ATOM 0 HA2 GLY A 27 12.234 -9.634 3.692 1.00 23.30 H new ATOM 0 HA3 GLY A 27 13.727 -10.482 4.043 1.00 23.30 H new ATOM 430 N LYS A 28 14.494 -8.072 5.488 1.00 62.31 N ATOM 431 CA LYS A 28 14.710 -7.333 6.726 1.00 51.21 C ATOM 432 C LYS A 28 14.250 -5.886 6.582 1.00 13.44 C ATOM 433 O LYS A 28 13.837 -5.256 7.557 1.00 31.52 O ATOM 434 CB LYS A 28 16.189 -7.372 7.117 1.00 60.44 C ATOM 435 CG LYS A 28 17.123 -6.911 6.011 1.00 13.11 C ATOM 436 CD LYS A 28 18.554 -6.784 6.506 1.00 33.54 C ATOM 437 CE LYS A 28 19.266 -8.128 6.502 1.00 32.50 C ATOM 438 NZ LYS A 28 19.091 -8.853 7.791 1.00 1.13 N ATOM 0 H LYS A 28 15.260 -8.004 4.818 1.00 62.31 H new ATOM 0 HA LYS A 28 14.121 -7.808 7.511 1.00 51.21 H new ATOM 0 HB2 LYS A 28 16.341 -6.744 7.995 1.00 60.44 H new ATOM 0 HB3 LYS A 28 16.454 -8.390 7.404 1.00 60.44 H new ATOM 0 HG2 LYS A 28 17.085 -7.619 5.183 1.00 13.11 H new ATOM 0 HG3 LYS A 28 16.784 -5.950 5.625 1.00 13.11 H new ATOM 0 HD2 LYS A 28 19.098 -6.081 5.875 1.00 33.54 H new ATOM 0 HD3 LYS A 28 18.556 -6.373 7.516 1.00 33.54 H new ATOM 0 HE2 LYS A 28 18.882 -8.740 5.686 1.00 32.50 H new ATOM 0 HE3 LYS A 28 20.329 -7.975 6.313 1.00 32.50 H new ATOM 0 HZ1 LYS A 28 19.969 -9.357 8.028 1.00 1.13 H new ATOM 0 HZ2 LYS A 28 18.868 -8.172 8.545 1.00 1.13 H new ATOM 0 HZ3 LYS A 28 18.313 -9.537 7.702 1.00 1.13 H new ATOM 452 N ILE A 29 14.322 -5.365 5.362 1.00 2.32 N ATOM 453 CA ILE A 29 13.910 -3.993 5.092 1.00 4.22 C ATOM 454 C ILE A 29 12.391 -3.862 5.108 1.00 3.43 C ATOM 455 O ILE A 29 11.845 -2.907 5.663 1.00 4.22 O ATOM 456 CB ILE A 29 14.442 -3.503 3.732 1.00 3.34 C ATOM 457 CG1 ILE A 29 15.967 -3.621 3.684 1.00 60.10 C ATOM 458 CG2 ILE A 29 14.009 -2.066 3.481 1.00 72.33 C ATOM 459 CD1 ILE A 29 16.565 -3.193 2.362 1.00 54.20 C ATOM 0 H ILE A 29 14.662 -5.872 4.545 1.00 2.32 H new ATOM 0 HA ILE A 29 14.334 -3.375 5.883 1.00 4.22 H new ATOM 0 HB ILE A 29 14.023 -4.131 2.946 1.00 3.34 H new ATOM 0 HG12 ILE A 29 16.396 -3.013 4.481 1.00 60.10 H new ATOM 0 HG13 ILE A 29 16.250 -4.655 3.884 1.00 60.10 H new ATOM 0 HG21 ILE A 29 14.392 -1.734 2.516 1.00 72.33 H new ATOM 0 HG22 ILE A 29 12.920 -2.009 3.478 1.00 72.33 H new ATOM 0 HG23 ILE A 29 14.404 -1.424 4.269 1.00 72.33 H new ATOM 0 HD11 ILE A 29 17.649 -3.303 2.400 1.00 54.20 H new ATOM 0 HD12 ILE A 29 16.165 -3.817 1.563 1.00 54.20 H new ATOM 0 HD13 ILE A 29 16.313 -2.150 2.169 1.00 54.20 H new ATOM 471 N LEU A 30 11.713 -4.827 4.498 1.00 21.21 N ATOM 472 CA LEU A 30 10.255 -4.821 4.444 1.00 63.55 C ATOM 473 C LEU A 30 9.658 -4.736 5.845 1.00 63.05 C ATOM 474 O LEU A 30 8.540 -4.253 6.025 1.00 23.13 O ATOM 475 CB LEU A 30 9.747 -6.079 3.736 1.00 51.21 C ATOM 476 CG LEU A 30 9.768 -6.044 2.207 1.00 1.34 C ATOM 477 CD1 LEU A 30 8.913 -4.899 1.688 1.00 53.32 C ATOM 478 CD2 LEU A 30 11.196 -5.919 1.697 1.00 61.55 C ATOM 0 H LEU A 30 12.149 -5.624 4.034 1.00 21.21 H new ATOM 0 HA LEU A 30 9.940 -3.942 3.882 1.00 63.55 H new ATOM 0 HB2 LEU A 30 10.347 -6.926 4.068 1.00 51.21 H new ATOM 0 HB3 LEU A 30 8.724 -6.266 4.061 1.00 51.21 H new ATOM 0 HG LEU A 30 9.351 -6.980 1.835 1.00 1.34 H new ATOM 0 HD11 LEU A 30 8.940 -4.890 0.598 1.00 53.32 H new ATOM 0 HD12 LEU A 30 7.885 -5.031 2.024 1.00 53.32 H new ATOM 0 HD13 LEU A 30 9.301 -3.954 2.069 1.00 53.32 H new ATOM 0 HD21 LEU A 30 11.192 -5.896 0.607 1.00 61.55 H new ATOM 0 HD22 LEU A 30 11.639 -4.999 2.078 1.00 61.55 H new ATOM 0 HD23 LEU A 30 11.781 -6.773 2.040 1.00 61.55 H new ATOM 490 N ASP A 31 10.412 -5.206 6.833 1.00 53.24 N ATOM 491 CA ASP A 31 9.959 -5.180 8.218 1.00 13.45 C ATOM 492 C ASP A 31 10.032 -3.766 8.788 1.00 70.15 C ATOM 493 O ASP A 31 9.138 -3.332 9.514 1.00 51.11 O ATOM 494 CB ASP A 31 10.801 -6.130 9.071 1.00 71.12 C ATOM 495 CG ASP A 31 10.029 -6.688 10.250 1.00 32.40 C ATOM 496 OD1 ASP A 31 9.156 -5.970 10.782 1.00 73.54 O ATOM 497 OD2 ASP A 31 10.297 -7.844 10.641 1.00 52.41 O ATOM 0 H ASP A 31 11.339 -5.609 6.700 1.00 53.24 H new ATOM 0 HA ASP A 31 8.920 -5.508 8.240 1.00 13.45 H new ATOM 0 HB2 ASP A 31 11.156 -6.953 8.450 1.00 71.12 H new ATOM 0 HB3 ASP A 31 11.683 -5.602 9.435 1.00 71.12 H new ATOM 502 N TRP A 32 11.102 -3.054 8.453 1.00 23.45 N ATOM 503 CA TRP A 32 11.293 -1.690 8.932 1.00 14.04 C ATOM 504 C TRP A 32 10.063 -0.836 8.645 1.00 11.30 C ATOM 505 O TRP A 32 9.651 -0.024 9.475 1.00 41.44 O ATOM 506 CB TRP A 32 12.527 -1.066 8.279 1.00 54.31 C ATOM 507 CG TRP A 32 13.819 -1.573 8.844 1.00 72.21 C ATOM 508 CD1 TRP A 32 14.027 -2.064 10.101 1.00 32.31 C ATOM 509 CD2 TRP A 32 15.081 -1.637 8.172 1.00 64.21 C ATOM 510 NE1 TRP A 32 15.343 -2.430 10.251 1.00 11.22 N ATOM 511 CE2 TRP A 32 16.011 -2.179 9.082 1.00 55.42 C ATOM 512 CE3 TRP A 32 15.517 -1.292 6.890 1.00 41.11 C ATOM 513 CZ2 TRP A 32 17.347 -2.380 8.749 1.00 63.34 C ATOM 514 CZ3 TRP A 32 16.844 -1.492 6.561 1.00 62.41 C ATOM 515 CH2 TRP A 32 17.746 -2.033 7.487 1.00 64.24 C ATOM 0 H TRP A 32 11.850 -3.399 7.852 1.00 23.45 H new ATOM 0 HA TRP A 32 11.443 -1.727 10.011 1.00 14.04 H new ATOM 0 HB2 TRP A 32 12.503 -1.267 7.208 1.00 54.31 H new ATOM 0 HB3 TRP A 32 12.485 0.016 8.401 1.00 54.31 H new ATOM 0 HD1 TRP A 32 13.269 -2.152 10.865 1.00 32.31 H new ATOM 0 HE1 TRP A 32 15.756 -2.825 11.096 1.00 11.22 H new ATOM 0 HE3 TRP A 32 14.829 -0.876 6.169 1.00 41.11 H new ATOM 0 HZ2 TRP A 32 18.044 -2.795 9.461 1.00 63.34 H new ATOM 0 HZ3 TRP A 32 17.192 -1.227 5.574 1.00 62.41 H new ATOM 0 HH2 TRP A 32 18.777 -2.179 7.199 1.00 64.24 H new ATOM 526 N LEU A 33 9.480 -1.023 7.466 1.00 31.32 N ATOM 527 CA LEU A 33 8.296 -0.269 7.070 1.00 73.34 C ATOM 528 C LEU A 33 7.153 -0.493 8.055 1.00 74.05 C ATOM 529 O LEU A 33 6.456 0.446 8.435 1.00 14.42 O ATOM 530 CB LEU A 33 7.857 -0.674 5.661 1.00 21.22 C ATOM 531 CG LEU A 33 8.614 -0.016 4.507 1.00 0.12 C ATOM 532 CD1 LEU A 33 8.344 -0.751 3.204 1.00 41.15 C ATOM 533 CD2 LEU A 33 8.228 1.451 4.384 1.00 1.03 C ATOM 0 H LEU A 33 9.808 -1.690 6.768 1.00 31.32 H new ATOM 0 HA LEU A 33 8.552 0.790 7.074 1.00 73.34 H new ATOM 0 HB2 LEU A 33 7.960 -1.755 5.567 1.00 21.22 H new ATOM 0 HB3 LEU A 33 6.797 -0.444 5.552 1.00 21.22 H new ATOM 0 HG LEU A 33 9.682 -0.074 4.718 1.00 0.12 H new ATOM 0 HD11 LEU A 33 8.891 -0.269 2.394 1.00 41.15 H new ATOM 0 HD12 LEU A 33 8.671 -1.787 3.296 1.00 41.15 H new ATOM 0 HD13 LEU A 33 7.276 -0.725 2.986 1.00 41.15 H new ATOM 0 HD21 LEU A 33 8.776 1.903 3.558 1.00 1.03 H new ATOM 0 HD22 LEU A 33 7.157 1.531 4.196 1.00 1.03 H new ATOM 0 HD23 LEU A 33 8.474 1.971 5.310 1.00 1.03 H new ATOM 545 N ASN A 34 6.968 -1.744 8.465 1.00 50.33 N ATOM 546 CA ASN A 34 5.910 -2.091 9.407 1.00 4.31 C ATOM 547 C ASN A 34 6.136 -1.409 10.753 1.00 23.34 C ATOM 548 O ASN A 34 5.221 -0.815 11.321 1.00 15.01 O ATOM 549 CB ASN A 34 5.844 -3.608 9.595 1.00 0.44 C ATOM 550 CG ASN A 34 4.902 -4.272 8.610 1.00 11.20 C ATOM 551 OD1 ASN A 34 3.804 -4.694 8.972 1.00 33.13 O ATOM 552 ND2 ASN A 34 5.329 -4.367 7.356 1.00 34.51 N ATOM 0 H ASN A 34 7.537 -2.534 8.160 1.00 50.33 H new ATOM 0 HA ASN A 34 4.962 -1.741 8.997 1.00 4.31 H new ATOM 0 HB2 ASN A 34 6.843 -4.029 9.479 1.00 0.44 H new ATOM 0 HB3 ASN A 34 5.519 -3.832 10.611 1.00 0.44 H new ATOM 0 HD21 ASN A 34 4.739 -4.804 6.648 1.00 34.51 H new ATOM 0 HD22 ASN A 34 6.247 -4.003 7.101 1.00 34.51 H new ATOM 559 N ALA A 35 7.363 -1.500 11.258 1.00 55.02 N ATOM 560 CA ALA A 35 7.710 -0.890 12.535 1.00 31.45 C ATOM 561 C ALA A 35 7.635 0.631 12.456 1.00 33.45 C ATOM 562 O ALA A 35 7.361 1.301 13.451 1.00 34.21 O ATOM 563 CB ALA A 35 9.100 -1.330 12.969 1.00 23.24 C ATOM 0 H ALA A 35 8.132 -1.990 10.802 1.00 55.02 H new ATOM 0 HA ALA A 35 6.986 -1.225 13.278 1.00 31.45 H new ATOM 0 HB1 ALA A 35 9.346 -0.867 13.924 1.00 23.24 H new ATOM 0 HB2 ALA A 35 9.122 -2.415 13.075 1.00 23.24 H new ATOM 0 HB3 ALA A 35 9.829 -1.024 12.219 1.00 23.24 H new ATOM 569 N GLY A 36 7.881 1.170 11.266 1.00 30.13 N ATOM 570 CA GLY A 36 7.837 2.609 11.080 1.00 30.53 C ATOM 571 C GLY A 36 8.069 3.014 9.638 1.00 10.02 C ATOM 572 O GLY A 36 9.183 2.900 9.127 1.00 75.00 O ATOM 0 H GLY A 36 8.110 0.636 10.427 1.00 30.13 H new ATOM 0 HA2 GLY A 36 6.868 2.985 11.409 1.00 30.53 H new ATOM 0 HA3 GLY A 36 8.592 3.077 11.712 1.00 30.53 H new ATOM 576 N GLN A 37 7.015 3.487 8.981 1.00 31.12 N ATOM 577 CA GLN A 37 7.109 3.908 7.588 1.00 4.15 C ATOM 578 C GLN A 37 7.737 5.294 7.480 1.00 22.22 C ATOM 579 O GLN A 37 7.125 6.224 6.957 1.00 51.12 O ATOM 580 CB GLN A 37 5.724 3.911 6.939 1.00 23.43 C ATOM 581 CG GLN A 37 4.706 4.760 7.682 1.00 34.34 C ATOM 582 CD GLN A 37 3.653 5.347 6.763 1.00 43.13 C ATOM 583 OE1 GLN A 37 3.957 6.171 5.899 1.00 30.50 O ATOM 584 NE2 GLN A 37 2.407 4.926 6.943 1.00 21.33 N ATOM 0 H GLN A 37 6.086 3.588 9.391 1.00 31.12 H new ATOM 0 HA GLN A 37 7.747 3.198 7.062 1.00 4.15 H new ATOM 0 HB2 GLN A 37 5.812 4.277 5.916 1.00 23.43 H new ATOM 0 HB3 GLN A 37 5.357 2.886 6.881 1.00 23.43 H new ATOM 0 HG2 GLN A 37 4.219 4.152 8.445 1.00 34.34 H new ATOM 0 HG3 GLN A 37 5.222 5.568 8.200 1.00 34.34 H new ATOM 0 HE21 GLN A 37 2.200 4.242 7.671 1.00 21.33 H new ATOM 0 HE22 GLN A 37 1.657 5.286 6.353 1.00 21.33 H new ATOM 593 N ALA A 38 8.962 5.424 7.979 1.00 62.41 N ATOM 594 CA ALA A 38 9.673 6.695 7.937 1.00 45.24 C ATOM 595 C ALA A 38 10.979 6.568 7.160 1.00 44.24 C ATOM 596 O ALA A 38 11.916 5.905 7.606 1.00 70.10 O ATOM 597 CB ALA A 38 9.943 7.196 9.348 1.00 42.22 C ATOM 0 H ALA A 38 9.482 4.664 8.417 1.00 62.41 H new ATOM 0 HA ALA A 38 9.042 7.419 7.421 1.00 45.24 H new ATOM 0 HB1 ALA A 38 10.475 8.146 9.301 1.00 42.22 H new ATOM 0 HB2 ALA A 38 8.997 7.335 9.872 1.00 42.22 H new ATOM 0 HB3 ALA A 38 10.551 6.466 9.883 1.00 42.22 H new ATOM 603 N ILE A 39 11.034 7.207 5.996 1.00 64.23 N ATOM 604 CA ILE A 39 12.226 7.165 5.158 1.00 61.25 C ATOM 605 C ILE A 39 13.471 7.544 5.952 1.00 11.54 C ATOM 606 O ILE A 39 14.483 6.845 5.912 1.00 61.20 O ATOM 607 CB ILE A 39 12.096 8.108 3.947 1.00 64.01 C ATOM 608 CG1 ILE A 39 10.869 7.736 3.113 1.00 52.44 C ATOM 609 CG2 ILE A 39 13.357 8.055 3.097 1.00 41.21 C ATOM 610 CD1 ILE A 39 10.947 6.353 2.505 1.00 43.30 C ATOM 0 H ILE A 39 10.267 7.760 5.612 1.00 64.23 H new ATOM 0 HA ILE A 39 12.324 6.140 4.801 1.00 61.25 H new ATOM 0 HB ILE A 39 11.969 9.128 4.311 1.00 64.01 H new ATOM 0 HG12 ILE A 39 9.981 7.798 3.741 1.00 52.44 H new ATOM 0 HG13 ILE A 39 10.747 8.468 2.315 1.00 52.44 H new ATOM 0 HG21 ILE A 39 13.250 8.727 2.245 1.00 41.21 H new ATOM 0 HG22 ILE A 39 14.213 8.363 3.697 1.00 41.21 H new ATOM 0 HG23 ILE A 39 13.512 7.037 2.739 1.00 41.21 H new ATOM 0 HD11 ILE A 39 10.043 6.158 1.928 1.00 43.30 H new ATOM 0 HD12 ILE A 39 11.816 6.292 1.850 1.00 43.30 H new ATOM 0 HD13 ILE A 39 11.038 5.611 3.299 1.00 43.30 H new ATOM 622 N ASP A 40 13.388 8.656 6.676 1.00 70.43 N ATOM 623 CA ASP A 40 14.507 9.128 7.483 1.00 31.53 C ATOM 624 C ASP A 40 14.970 8.046 8.454 1.00 2.24 C ATOM 625 O ASP A 40 16.130 8.023 8.865 1.00 4.24 O ATOM 626 CB ASP A 40 14.111 10.388 8.255 1.00 61.44 C ATOM 627 CG ASP A 40 14.089 11.622 7.375 1.00 71.14 C ATOM 628 OD1 ASP A 40 14.604 11.550 6.239 1.00 13.14 O ATOM 629 OD2 ASP A 40 13.557 12.660 7.822 1.00 45.24 O ATOM 0 H ASP A 40 12.558 9.247 6.720 1.00 70.43 H new ATOM 0 HA ASP A 40 15.332 9.367 6.812 1.00 31.53 H new ATOM 0 HB2 ASP A 40 13.126 10.244 8.699 1.00 61.44 H new ATOM 0 HB3 ASP A 40 14.811 10.543 9.076 1.00 61.44 H new ATOM 634 N TRP A 41 14.056 7.154 8.817 1.00 24.45 N ATOM 635 CA TRP A 41 14.371 6.070 9.742 1.00 44.14 C ATOM 636 C TRP A 41 14.906 4.854 8.993 1.00 5.40 C ATOM 637 O TRP A 41 15.651 4.048 9.551 1.00 42.15 O ATOM 638 CB TRP A 41 13.130 5.683 10.548 1.00 65.34 C ATOM 639 CG TRP A 41 13.435 4.798 11.719 1.00 41.51 C ATOM 640 CD1 TRP A 41 13.829 5.195 12.965 1.00 55.40 C ATOM 641 CD2 TRP A 41 13.373 3.368 11.752 1.00 10.51 C ATOM 642 NE1 TRP A 41 14.015 4.098 13.771 1.00 52.21 N ATOM 643 CE2 TRP A 41 13.741 2.966 13.051 1.00 70.42 C ATOM 644 CE3 TRP A 41 13.040 2.389 10.812 1.00 4.42 C ATOM 645 CZ2 TRP A 41 13.786 1.627 13.430 1.00 60.43 C ATOM 646 CZ3 TRP A 41 13.086 1.061 11.190 1.00 71.13 C ATOM 647 CH2 TRP A 41 13.456 0.689 12.489 1.00 14.12 C ATOM 0 H TRP A 41 13.091 7.159 8.486 1.00 24.45 H new ATOM 0 HA TRP A 41 15.144 6.422 10.425 1.00 44.14 H new ATOM 0 HB2 TRP A 41 12.640 6.589 10.904 1.00 65.34 H new ATOM 0 HB3 TRP A 41 12.423 5.175 9.892 1.00 65.34 H new ATOM 0 HD1 TRP A 41 13.973 6.220 13.272 1.00 55.40 H new ATOM 0 HE1 TRP A 41 14.309 4.123 14.747 1.00 52.21 H new ATOM 0 HE3 TRP A 41 12.752 2.665 9.809 1.00 4.42 H new ATOM 0 HZ2 TRP A 41 14.071 1.339 14.431 1.00 60.43 H new ATOM 0 HZ3 TRP A 41 12.832 0.296 10.471 1.00 71.13 H new ATOM 0 HH2 TRP A 41 13.481 -0.358 12.753 1.00 14.12 H new ATOM 658 N VAL A 42 14.523 4.728 7.727 1.00 54.34 N ATOM 659 CA VAL A 42 14.965 3.611 6.901 1.00 24.02 C ATOM 660 C VAL A 42 16.353 3.869 6.325 1.00 2.25 C ATOM 661 O VAL A 42 17.142 2.943 6.139 1.00 60.42 O ATOM 662 CB VAL A 42 13.984 3.344 5.745 1.00 74.31 C ATOM 663 CG1 VAL A 42 14.480 2.198 4.876 1.00 23.15 C ATOM 664 CG2 VAL A 42 12.592 3.050 6.285 1.00 22.32 C ATOM 0 H VAL A 42 13.907 5.386 7.250 1.00 54.34 H new ATOM 0 HA VAL A 42 15.000 2.734 7.548 1.00 24.02 H new ATOM 0 HB VAL A 42 13.928 4.239 5.126 1.00 74.31 H new ATOM 0 HG11 VAL A 42 13.773 2.024 4.065 1.00 23.15 H new ATOM 0 HG12 VAL A 42 15.455 2.452 4.460 1.00 23.15 H new ATOM 0 HG13 VAL A 42 14.568 1.295 5.480 1.00 23.15 H new ATOM 0 HG21 VAL A 42 11.911 2.864 5.454 1.00 22.32 H new ATOM 0 HG22 VAL A 42 12.629 2.171 6.928 1.00 22.32 H new ATOM 0 HG23 VAL A 42 12.237 3.905 6.860 1.00 22.32 H new ATOM 674 N VAL A 43 16.646 5.135 6.046 1.00 11.40 N ATOM 675 CA VAL A 43 17.940 5.517 5.493 1.00 72.22 C ATOM 676 C VAL A 43 19.000 5.603 6.584 1.00 24.25 C ATOM 677 O VAL A 43 20.149 5.211 6.380 1.00 4.22 O ATOM 678 CB VAL A 43 17.861 6.870 4.761 1.00 14.15 C ATOM 679 CG1 VAL A 43 19.216 7.244 4.182 1.00 4.55 C ATOM 680 CG2 VAL A 43 16.800 6.825 3.672 1.00 62.04 C ATOM 0 H VAL A 43 16.004 5.914 6.194 1.00 11.40 H new ATOM 0 HA VAL A 43 18.220 4.742 4.779 1.00 72.22 H new ATOM 0 HB VAL A 43 17.577 7.637 5.481 1.00 14.15 H new ATOM 0 HG11 VAL A 43 19.140 8.203 3.669 1.00 4.55 H new ATOM 0 HG12 VAL A 43 19.947 7.320 4.987 1.00 4.55 H new ATOM 0 HG13 VAL A 43 19.533 6.478 3.475 1.00 4.55 H new ATOM 0 HG21 VAL A 43 16.758 7.789 3.165 1.00 62.04 H new ATOM 0 HG22 VAL A 43 17.051 6.047 2.951 1.00 62.04 H new ATOM 0 HG23 VAL A 43 15.830 6.607 4.118 1.00 62.04 H new ATOM 690 N SER A 44 18.607 6.118 7.745 1.00 31.40 N ATOM 691 CA SER A 44 19.525 6.258 8.869 1.00 11.43 C ATOM 692 C SER A 44 20.095 4.903 9.278 1.00 12.52 C ATOM 693 O SER A 44 21.157 4.824 9.895 1.00 22.13 O ATOM 694 CB SER A 44 18.812 6.905 10.059 1.00 64.31 C ATOM 695 OG SER A 44 18.866 8.318 9.979 1.00 53.54 O ATOM 0 H SER A 44 17.659 6.445 7.931 1.00 31.40 H new ATOM 0 HA SER A 44 20.349 6.899 8.556 1.00 11.43 H new ATOM 0 HB2 SER A 44 17.772 6.579 10.085 1.00 64.31 H new ATOM 0 HB3 SER A 44 19.274 6.572 10.988 1.00 64.31 H new ATOM 0 HG SER A 44 18.026 8.657 9.604 1.00 53.54 H new ATOM 701 N LYS A 45 19.380 3.839 8.930 1.00 64.23 N ATOM 702 CA LYS A 45 19.813 2.486 9.258 1.00 61.41 C ATOM 703 C LYS A 45 20.577 1.861 8.094 1.00 15.23 C ATOM 704 O LYS A 45 20.640 0.638 7.967 1.00 4.10 O ATOM 705 CB LYS A 45 18.606 1.615 9.616 1.00 65.02 C ATOM 706 CG LYS A 45 18.956 0.419 10.485 1.00 54.22 C ATOM 707 CD LYS A 45 17.749 -0.074 11.266 1.00 41.12 C ATOM 708 CE LYS A 45 17.548 0.725 12.544 1.00 10.42 C ATOM 709 NZ LYS A 45 18.700 0.579 13.477 1.00 52.23 N ATOM 0 H LYS A 45 18.498 3.887 8.421 1.00 64.23 H new ATOM 0 HA LYS A 45 20.480 2.544 10.118 1.00 61.41 H new ATOM 0 HB2 LYS A 45 17.868 2.227 10.135 1.00 65.02 H new ATOM 0 HB3 LYS A 45 18.138 1.262 8.697 1.00 65.02 H new ATOM 0 HG2 LYS A 45 19.340 -0.387 9.859 1.00 54.22 H new ATOM 0 HG3 LYS A 45 19.752 0.692 11.178 1.00 54.22 H new ATOM 0 HD2 LYS A 45 16.857 0.001 10.645 1.00 41.12 H new ATOM 0 HD3 LYS A 45 17.879 -1.128 11.511 1.00 41.12 H new ATOM 0 HE2 LYS A 45 17.412 1.778 12.296 1.00 10.42 H new ATOM 0 HE3 LYS A 45 16.635 0.394 13.039 1.00 10.42 H new ATOM 0 HZ1 LYS A 45 18.379 0.739 14.453 1.00 52.23 H new ATOM 0 HZ2 LYS A 45 19.094 -0.380 13.395 1.00 52.23 H new ATOM 0 HZ3 LYS A 45 19.433 1.276 13.235 1.00 52.23 H new ATOM 723 N ILE A 46 21.155 2.708 7.249 1.00 13.35 N ATOM 724 CA ILE A 46 21.916 2.238 6.099 1.00 53.44 C ATOM 725 C ILE A 46 23.380 2.652 6.202 1.00 52.35 C ATOM 726 O ILE A 46 24.275 1.923 5.774 1.00 74.31 O ATOM 727 CB ILE A 46 21.333 2.779 4.779 1.00 33.35 C ATOM 728 CG1 ILE A 46 19.820 2.556 4.736 1.00 15.44 C ATOM 729 CG2 ILE A 46 22.006 2.111 3.590 1.00 72.41 C ATOM 730 CD1 ILE A 46 19.418 1.104 4.872 1.00 1.30 C ATOM 0 H ILE A 46 21.111 3.723 7.339 1.00 13.35 H new ATOM 0 HA ILE A 46 21.848 1.150 6.099 1.00 53.44 H new ATOM 0 HB ILE A 46 21.525 3.851 4.726 1.00 33.35 H new ATOM 0 HG12 ILE A 46 19.354 3.130 5.537 1.00 15.44 H new ATOM 0 HG13 ILE A 46 19.430 2.946 3.796 1.00 15.44 H new ATOM 0 HG21 ILE A 46 21.584 2.503 2.665 1.00 72.41 H new ATOM 0 HG22 ILE A 46 23.076 2.315 3.616 1.00 72.41 H new ATOM 0 HG23 ILE A 46 21.841 1.035 3.636 1.00 72.41 H new ATOM 0 HD11 ILE A 46 18.332 1.022 4.833 1.00 1.30 H new ATOM 0 HD12 ILE A 46 19.855 0.528 4.057 1.00 1.30 H new ATOM 0 HD13 ILE A 46 19.777 0.715 5.825 1.00 1.30 H new ATOM 742 N LYS A 47 23.618 3.828 6.773 1.00 33.25 N ATOM 743 CA LYS A 47 24.973 4.339 6.937 1.00 43.33 C ATOM 744 C LYS A 47 25.764 3.482 7.920 1.00 14.02 C ATOM 745 O LYS A 47 26.991 3.418 7.854 1.00 12.51 O ATOM 746 CB LYS A 47 24.938 5.790 7.422 1.00 11.15 C ATOM 747 CG LYS A 47 24.069 5.999 8.651 1.00 44.32 C ATOM 748 CD LYS A 47 23.034 7.087 8.423 1.00 53.52 C ATOM 749 CE LYS A 47 22.524 7.656 9.738 1.00 34.11 C ATOM 750 NZ LYS A 47 23.486 8.623 10.335 1.00 23.41 N ATOM 0 H LYS A 47 22.889 4.445 7.130 1.00 33.25 H new ATOM 0 HA LYS A 47 25.469 4.298 5.967 1.00 43.33 H new ATOM 0 HB2 LYS A 47 25.954 6.114 7.646 1.00 11.15 H new ATOM 0 HB3 LYS A 47 24.571 6.425 6.616 1.00 11.15 H new ATOM 0 HG2 LYS A 47 23.567 5.066 8.906 1.00 44.32 H new ATOM 0 HG3 LYS A 47 24.697 6.265 9.501 1.00 44.32 H new ATOM 0 HD2 LYS A 47 23.471 7.886 7.825 1.00 53.52 H new ATOM 0 HD3 LYS A 47 22.198 6.682 7.852 1.00 53.52 H new ATOM 0 HE2 LYS A 47 21.567 8.151 9.572 1.00 34.11 H new ATOM 0 HE3 LYS A 47 22.344 6.842 10.440 1.00 34.11 H new ATOM 0 HZ1 LYS A 47 23.354 8.653 11.366 1.00 23.41 H new ATOM 0 HZ2 LYS A 47 24.458 8.324 10.119 1.00 23.41 H new ATOM 0 HZ3 LYS A 47 23.319 9.569 9.937 1.00 23.41 H new ATOM 764 N GLN A 48 25.052 2.824 8.829 1.00 12.15 N ATOM 765 CA GLN A 48 25.688 1.970 9.825 1.00 1.15 C ATOM 766 C GLN A 48 26.001 0.595 9.244 1.00 14.20 C ATOM 767 O GLN A 48 26.923 -0.085 9.695 1.00 35.11 O ATOM 768 CB GLN A 48 24.788 1.825 11.054 1.00 72.14 C ATOM 769 CG GLN A 48 23.402 1.291 10.732 1.00 75.51 C ATOM 770 CD GLN A 48 22.639 0.863 11.970 1.00 22.44 C ATOM 771 OE1 GLN A 48 22.392 -0.325 12.182 1.00 21.00 O ATOM 772 NE2 GLN A 48 22.262 1.831 12.797 1.00 33.55 N ATOM 0 H GLN A 48 24.035 2.866 8.896 1.00 12.15 H new ATOM 0 HA GLN A 48 26.625 2.440 10.123 1.00 1.15 H new ATOM 0 HB2 GLN A 48 25.268 1.158 11.769 1.00 72.14 H new ATOM 0 HB3 GLN A 48 24.691 2.796 11.540 1.00 72.14 H new ATOM 0 HG2 GLN A 48 22.834 2.059 10.207 1.00 75.51 H new ATOM 0 HG3 GLN A 48 23.492 0.442 10.054 1.00 75.51 H new ATOM 0 HE21 GLN A 48 22.488 2.802 12.582 1.00 33.55 H new ATOM 0 HE22 GLN A 48 21.746 1.603 13.647 1.00 33.55 H new ATOM 781 N ILE A 49 25.227 0.193 8.241 1.00 20.35 N ATOM 782 CA ILE A 49 25.422 -1.101 7.598 1.00 3.24 C ATOM 783 C ILE A 49 26.623 -1.072 6.659 1.00 4.03 C ATOM 784 O ILE A 49 27.646 -1.706 6.922 1.00 5.53 O ATOM 785 CB ILE A 49 24.174 -1.529 6.804 1.00 1.23 C ATOM 786 CG1 ILE A 49 22.919 -1.384 7.668 1.00 41.25 C ATOM 787 CG2 ILE A 49 24.324 -2.961 6.314 1.00 33.31 C ATOM 788 CD1 ILE A 49 22.921 -2.273 8.891 1.00 4.13 C ATOM 0 H ILE A 49 24.460 0.744 7.856 1.00 20.35 H new ATOM 0 HA ILE A 49 25.602 -1.825 8.393 1.00 3.24 H new ATOM 0 HB ILE A 49 24.072 -0.878 5.936 1.00 1.23 H new ATOM 0 HG12 ILE A 49 22.824 -0.345 7.984 1.00 41.25 H new ATOM 0 HG13 ILE A 49 22.042 -1.615 7.063 1.00 41.25 H new ATOM 0 HG21 ILE A 49 23.434 -3.249 5.755 1.00 33.31 H new ATOM 0 HG22 ILE A 49 25.199 -3.035 5.668 1.00 33.31 H new ATOM 0 HG23 ILE A 49 24.447 -3.627 7.168 1.00 33.31 H new ATOM 0 HD11 ILE A 49 22.002 -2.117 9.456 1.00 4.13 H new ATOM 0 HD12 ILE A 49 22.985 -3.316 8.582 1.00 4.13 H new ATOM 0 HD13 ILE A 49 23.778 -2.027 9.518 1.00 4.13 H new ATOM 800 N LEU A 50 26.493 -0.332 5.564 1.00 41.21 N ATOM 801 CA LEU A 50 27.569 -0.218 4.585 1.00 12.00 C ATOM 802 C LEU A 50 28.678 0.695 5.098 1.00 32.34 C ATOM 803 O LEU A 50 29.815 0.263 5.283 1.00 42.53 O ATOM 804 CB LEU A 50 27.024 0.318 3.260 1.00 63.33 C ATOM 805 CG LEU A 50 25.687 -0.263 2.800 1.00 54.12 C ATOM 806 CD1 LEU A 50 25.127 0.541 1.637 1.00 41.43 C ATOM 807 CD2 LEU A 50 25.845 -1.726 2.412 1.00 44.33 C ATOM 0 H LEU A 50 25.653 0.198 5.331 1.00 41.21 H new ATOM 0 HA LEU A 50 27.987 -1.212 4.424 1.00 12.00 H new ATOM 0 HB2 LEU A 50 26.917 1.399 3.345 1.00 63.33 H new ATOM 0 HB3 LEU A 50 27.765 0.131 2.483 1.00 63.33 H new ATOM 0 HG LEU A 50 24.983 -0.202 3.630 1.00 54.12 H new ATOM 0 HD11 LEU A 50 24.175 0.112 1.323 1.00 41.43 H new ATOM 0 HD12 LEU A 50 24.975 1.574 1.949 1.00 41.43 H new ATOM 0 HD13 LEU A 50 25.829 0.513 0.804 1.00 41.43 H new ATOM 0 HD21 LEU A 50 24.883 -2.122 2.087 1.00 44.33 H new ATOM 0 HD22 LEU A 50 26.566 -1.811 1.599 1.00 44.33 H new ATOM 0 HD23 LEU A 50 26.200 -2.294 3.272 1.00 44.33 H new ATOM 819 N GLY A 51 28.337 1.959 5.330 1.00 44.14 N ATOM 820 CA GLY A 51 29.315 2.912 5.822 1.00 52.43 C ATOM 821 C GLY A 51 29.372 4.171 4.979 1.00 2.11 C ATOM 822 O GLY A 51 30.439 4.760 4.804 1.00 42.23 O ATOM 0 H GLY A 51 27.402 2.340 5.186 1.00 44.14 H new ATOM 0 HA2 GLY A 51 29.073 3.178 6.851 1.00 52.43 H new ATOM 0 HA3 GLY A 51 30.299 2.443 5.837 1.00 52.43 H new ATOM 826 N ILE A 52 28.223 4.583 4.455 1.00 11.41 N ATOM 827 CA ILE A 52 28.148 5.780 3.626 1.00 74.21 C ATOM 828 C ILE A 52 28.526 7.025 4.421 1.00 25.51 C ATOM 829 O ILE A 52 28.074 7.215 5.550 1.00 3.32 O ATOM 830 CB ILE A 52 26.737 5.969 3.038 1.00 13.52 C ATOM 831 CG1 ILE A 52 26.733 7.115 2.024 1.00 71.34 C ATOM 832 CG2 ILE A 52 25.732 6.235 4.149 1.00 54.30 C ATOM 833 CD1 ILE A 52 27.216 6.706 0.649 1.00 14.24 C ATOM 0 H ILE A 52 27.331 4.106 4.589 1.00 11.41 H new ATOM 0 HA ILE A 52 28.858 5.644 2.810 1.00 74.21 H new ATOM 0 HB ILE A 52 26.448 5.052 2.524 1.00 13.52 H new ATOM 0 HG12 ILE A 52 25.722 7.513 1.942 1.00 71.34 H new ATOM 0 HG13 ILE A 52 27.364 7.922 2.397 1.00 71.34 H new ATOM 0 HG21 ILE A 52 24.739 6.366 3.718 1.00 54.30 H new ATOM 0 HG22 ILE A 52 25.719 5.391 4.838 1.00 54.30 H new ATOM 0 HG23 ILE A 52 26.016 7.139 4.688 1.00 54.30 H new ATOM 0 HD11 ILE A 52 27.187 7.567 -0.018 1.00 14.24 H new ATOM 0 HD12 ILE A 52 28.239 6.335 0.718 1.00 14.24 H new ATOM 0 HD13 ILE A 52 26.571 5.920 0.256 1.00 14.24 H new ATOM 845 N LYS A 53 29.358 7.871 3.824 1.00 64.13 N ATOM 846 CA LYS A 53 29.797 9.100 4.473 1.00 11.44 C ATOM 847 C LYS A 53 28.980 10.294 3.988 1.00 63.43 C ATOM 848 O LYS A 53 28.764 11.253 4.729 1.00 74.23 O ATOM 849 CB LYS A 53 31.284 9.342 4.203 1.00 54.32 C ATOM 850 CG LYS A 53 31.954 10.229 5.238 1.00 53.43 C ATOM 851 CD LYS A 53 32.008 9.556 6.599 1.00 62.55 C ATOM 852 CE LYS A 53 33.221 10.009 7.397 1.00 71.22 C ATOM 853 NZ LYS A 53 33.434 9.168 8.608 1.00 53.34 N ATOM 0 H LYS A 53 29.742 7.728 2.890 1.00 64.13 H new ATOM 0 HA LYS A 53 29.643 8.989 5.546 1.00 11.44 H new ATOM 0 HB2 LYS A 53 31.800 8.382 4.171 1.00 54.32 H new ATOM 0 HB3 LYS A 53 31.397 9.797 3.219 1.00 54.32 H new ATOM 0 HG2 LYS A 53 32.965 10.471 4.911 1.00 53.43 H new ATOM 0 HG3 LYS A 53 31.411 11.170 5.318 1.00 53.43 H new ATOM 0 HD2 LYS A 53 31.099 9.785 7.155 1.00 62.55 H new ATOM 0 HD3 LYS A 53 32.039 8.474 6.470 1.00 62.55 H new ATOM 0 HE2 LYS A 53 34.108 9.967 6.765 1.00 71.22 H new ATOM 0 HE3 LYS A 53 33.092 11.049 7.695 1.00 71.22 H new ATOM 0 HZ1 LYS A 53 34.270 9.509 9.125 1.00 53.34 H new ATOM 0 HZ2 LYS A 53 32.598 9.228 9.224 1.00 53.34 H new ATOM 0 HZ3 LYS A 53 33.583 8.179 8.322 1.00 53.34 H new