USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 449 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 44 SER OG : rot 97:sc= 0.173 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -141:sc= -2.17! (180deg=-4.04!) USER MOD Single : A 9 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.41) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 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= -0.426 X(o=-0.43,f=-0.43) USER MOD Single : A 25 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.77 K(o=-0.77,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.544 -0.260 -0.775 1.00 64.53 N ATOM 2 CA MET A 1 1.678 0.656 -0.745 1.00 2.22 C ATOM 3 C MET A 1 2.995 -0.110 -0.667 1.00 31.11 C ATOM 4 O MET A 1 3.221 -0.880 0.266 1.00 62.11 O ATOM 5 CB MET A 1 1.558 1.610 0.445 1.00 25.14 C ATOM 6 CG MET A 1 2.340 2.902 0.270 1.00 22.30 C ATOM 7 SD MET A 1 1.650 3.962 -1.015 1.00 24.00 S ATOM 8 CE MET A 1 2.430 5.525 -0.619 1.00 3.00 C ATOM 0 H1 MET A 1 -0.341 0.284 -0.828 1.00 64.53 H new ATOM 0 H2 MET A 1 0.620 -0.879 -1.607 1.00 64.53 H new ATOM 0 H3 MET A 1 0.543 -0.839 0.089 1.00 64.53 H new ATOM 0 HA MET A 1 1.670 1.235 -1.668 1.00 2.22 H new ATOM 0 HB2 MET A 1 0.507 1.850 0.603 1.00 25.14 H new ATOM 0 HB3 MET A 1 1.908 1.102 1.344 1.00 25.14 H new ATOM 0 HG2 MET A 1 2.354 3.445 1.215 1.00 22.30 H new ATOM 0 HG3 MET A 1 3.375 2.665 0.023 1.00 22.30 H new ATOM 0 HE1 MET A 1 2.102 6.285 -1.328 1.00 3.00 H new ATOM 0 HE2 MET A 1 2.150 5.826 0.391 1.00 3.00 H new ATOM 0 HE3 MET A 1 3.513 5.417 -0.678 1.00 3.00 H new ATOM 18 N ALA A 2 3.859 0.106 -1.653 1.00 5.23 N ATOM 19 CA ALA A 2 5.154 -0.563 -1.694 1.00 52.11 C ATOM 20 C ALA A 2 6.277 0.390 -1.300 1.00 62.00 C ATOM 21 O ALA A 2 6.900 1.019 -2.155 1.00 34.31 O ATOM 22 CB ALA A 2 5.407 -1.136 -3.080 1.00 64.35 C ATOM 0 H ALA A 2 3.686 0.739 -2.434 1.00 5.23 H new ATOM 0 HA ALA A 2 5.137 -1.380 -0.972 1.00 52.11 H new ATOM 0 HB1 ALA A 2 6.377 -1.633 -3.097 1.00 64.35 H new ATOM 0 HB2 ALA A 2 4.626 -1.856 -3.324 1.00 64.35 H new ATOM 0 HB3 ALA A 2 5.399 -0.330 -3.814 1.00 64.35 H new ATOM 28 N GLY A 3 6.531 0.492 0.001 1.00 1.52 N ATOM 29 CA GLY A 3 7.579 1.372 0.485 1.00 22.24 C ATOM 30 C GLY A 3 8.959 0.931 0.038 1.00 33.43 C ATOM 31 O GLY A 3 9.895 1.729 0.011 1.00 5.15 O ATOM 0 H GLY A 3 6.030 -0.019 0.728 1.00 1.52 H new ATOM 0 HA2 GLY A 3 7.392 2.385 0.129 1.00 22.24 H new ATOM 0 HA3 GLY A 3 7.547 1.406 1.574 1.00 22.24 H new ATOM 35 N PHE A 4 9.086 -0.345 -0.312 1.00 54.14 N ATOM 36 CA PHE A 4 10.362 -0.892 -0.758 1.00 12.11 C ATOM 37 C PHE A 4 10.852 -0.176 -2.014 1.00 34.45 C ATOM 38 O PHE A 4 12.030 0.161 -2.130 1.00 5.23 O ATOM 39 CB PHE A 4 10.231 -2.392 -1.030 1.00 54.14 C ATOM 40 CG PHE A 4 11.410 -2.975 -1.755 1.00 1.12 C ATOM 41 CD1 PHE A 4 12.502 -3.459 -1.052 1.00 12.51 C ATOM 42 CD2 PHE A 4 11.427 -3.039 -3.139 1.00 3.12 C ATOM 43 CE1 PHE A 4 13.589 -3.996 -1.715 1.00 73.15 C ATOM 44 CE2 PHE A 4 12.511 -3.576 -3.808 1.00 1.33 C ATOM 45 CZ PHE A 4 13.594 -4.054 -3.095 1.00 54.33 C ATOM 0 H PHE A 4 8.321 -1.019 -0.295 1.00 54.14 H new ATOM 0 HA PHE A 4 11.093 -0.736 0.036 1.00 12.11 H new ATOM 0 HB2 PHE A 4 10.102 -2.915 -0.082 1.00 54.14 H new ATOM 0 HB3 PHE A 4 9.330 -2.569 -1.617 1.00 54.14 H new ATOM 0 HD1 PHE A 4 12.503 -3.416 0.027 1.00 12.51 H new ATOM 0 HD2 PHE A 4 10.584 -2.665 -3.701 1.00 3.12 H new ATOM 0 HE1 PHE A 4 14.433 -4.370 -1.155 1.00 73.15 H new ATOM 0 HE2 PHE A 4 12.512 -3.622 -4.887 1.00 1.33 H new ATOM 0 HZ PHE A 4 14.443 -4.472 -3.616 1.00 54.33 H new ATOM 55 N LEU A 5 9.939 0.051 -2.951 1.00 52.24 N ATOM 56 CA LEU A 5 10.276 0.726 -4.200 1.00 3.12 C ATOM 57 C LEU A 5 10.506 2.216 -3.968 1.00 44.13 C ATOM 58 O LEU A 5 11.216 2.872 -4.731 1.00 64.11 O ATOM 59 CB LEU A 5 9.163 0.524 -5.229 1.00 13.30 C ATOM 60 CG LEU A 5 9.146 -0.828 -5.943 1.00 13.21 C ATOM 61 CD1 LEU A 5 7.727 -1.370 -6.026 1.00 2.15 C ATOM 62 CD2 LEU A 5 9.753 -0.705 -7.333 1.00 3.24 C ATOM 0 H LEU A 5 8.960 -0.222 -2.870 1.00 52.24 H new ATOM 0 HA LEU A 5 11.199 0.290 -4.583 1.00 3.12 H new ATOM 0 HB2 LEU A 5 8.204 0.660 -4.729 1.00 13.30 H new ATOM 0 HB3 LEU A 5 9.244 1.309 -5.981 1.00 13.30 H new ATOM 0 HG LEU A 5 9.748 -1.529 -5.366 1.00 13.21 H new ATOM 0 HD11 LEU A 5 7.735 -2.333 -6.537 1.00 2.15 H new ATOM 0 HD12 LEU A 5 7.326 -1.496 -5.020 1.00 2.15 H new ATOM 0 HD13 LEU A 5 7.102 -0.670 -6.580 1.00 2.15 H new ATOM 0 HD21 LEU A 5 9.733 -1.677 -7.826 1.00 3.24 H new ATOM 0 HD22 LEU A 5 9.178 0.012 -7.919 1.00 3.24 H new ATOM 0 HD23 LEU A 5 10.784 -0.362 -7.251 1.00 3.24 H new ATOM 74 N LYS A 6 9.903 2.745 -2.909 1.00 40.13 N ATOM 75 CA LYS A 6 10.044 4.157 -2.574 1.00 10.03 C ATOM 76 C LYS A 6 11.382 4.423 -1.892 1.00 44.32 C ATOM 77 O LYS A 6 12.090 5.369 -2.239 1.00 51.12 O ATOM 78 CB LYS A 6 8.898 4.603 -1.663 1.00 21.35 C ATOM 79 CG LYS A 6 8.522 6.065 -1.830 1.00 34.35 C ATOM 80 CD LYS A 6 7.401 6.463 -0.884 1.00 52.42 C ATOM 81 CE LYS A 6 7.945 7.059 0.405 1.00 34.14 C ATOM 82 NZ LYS A 6 6.926 7.889 1.106 1.00 33.42 N ATOM 0 H LYS A 6 9.312 2.217 -2.268 1.00 40.13 H new ATOM 0 HA LYS A 6 10.008 4.730 -3.501 1.00 10.03 H new ATOM 0 HB2 LYS A 6 8.023 3.986 -1.866 1.00 21.35 H new ATOM 0 HB3 LYS A 6 9.180 4.425 -0.625 1.00 21.35 H new ATOM 0 HG2 LYS A 6 9.395 6.690 -1.644 1.00 34.35 H new ATOM 0 HG3 LYS A 6 8.213 6.247 -2.859 1.00 34.35 H new ATOM 0 HD2 LYS A 6 6.750 7.187 -1.374 1.00 52.42 H new ATOM 0 HD3 LYS A 6 6.791 5.590 -0.653 1.00 52.42 H new ATOM 0 HE2 LYS A 6 8.276 6.257 1.065 1.00 34.14 H new ATOM 0 HE3 LYS A 6 8.820 7.670 0.182 1.00 34.14 H new ATOM 0 HZ1 LYS A 6 7.383 8.731 1.510 1.00 33.42 H new ATOM 0 HZ2 LYS A 6 6.193 8.184 0.429 1.00 33.42 H new ATOM 0 HZ3 LYS A 6 6.489 7.332 1.868 1.00 33.42 H new ATOM 96 N VAL A 7 11.725 3.582 -0.921 1.00 53.33 N ATOM 97 CA VAL A 7 12.980 3.725 -0.193 1.00 14.51 C ATOM 98 C VAL A 7 14.176 3.612 -1.131 1.00 53.04 C ATOM 99 O VAL A 7 15.257 4.124 -0.841 1.00 61.31 O ATOM 100 CB VAL A 7 13.109 2.665 0.916 1.00 31.33 C ATOM 101 CG1 VAL A 7 12.002 2.832 1.947 1.00 64.44 C ATOM 102 CG2 VAL A 7 13.087 1.265 0.320 1.00 52.40 C ATOM 0 H VAL A 7 11.151 2.794 -0.620 1.00 53.33 H new ATOM 0 HA VAL A 7 12.971 4.716 0.261 1.00 14.51 H new ATOM 0 HB VAL A 7 14.065 2.806 1.419 1.00 31.33 H new ATOM 0 HG11 VAL A 7 12.110 2.074 2.723 1.00 64.44 H new ATOM 0 HG12 VAL A 7 12.070 3.823 2.396 1.00 64.44 H new ATOM 0 HG13 VAL A 7 11.033 2.719 1.462 1.00 64.44 H new ATOM 0 HG21 VAL A 7 13.179 0.528 1.118 1.00 52.40 H new ATOM 0 HG22 VAL A 7 12.147 1.110 -0.210 1.00 52.40 H new ATOM 0 HG23 VAL A 7 13.919 1.153 -0.375 1.00 52.40 H new ATOM 112 N VAL A 8 13.974 2.938 -2.259 1.00 42.03 N ATOM 113 CA VAL A 8 15.036 2.758 -3.243 1.00 14.34 C ATOM 114 C VAL A 8 15.256 4.031 -4.052 1.00 51.13 C ATOM 115 O VAL A 8 16.343 4.261 -4.582 1.00 31.43 O ATOM 116 CB VAL A 8 14.718 1.599 -4.205 1.00 62.25 C ATOM 117 CG1 VAL A 8 15.783 1.496 -5.287 1.00 54.43 C ATOM 118 CG2 VAL A 8 14.596 0.290 -3.440 1.00 62.34 C ATOM 0 H VAL A 8 13.085 2.508 -2.514 1.00 42.03 H new ATOM 0 HA VAL A 8 15.945 2.521 -2.690 1.00 14.34 H new ATOM 0 HB VAL A 8 13.762 1.802 -4.687 1.00 62.25 H new ATOM 0 HG11 VAL A 8 15.542 0.671 -5.958 1.00 54.43 H new ATOM 0 HG12 VAL A 8 15.817 2.427 -5.854 1.00 54.43 H new ATOM 0 HG13 VAL A 8 16.754 1.316 -4.826 1.00 54.43 H new ATOM 0 HG21 VAL A 8 14.371 -0.518 -4.136 1.00 62.34 H new ATOM 0 HG22 VAL A 8 15.535 0.078 -2.929 1.00 62.34 H new ATOM 0 HG23 VAL A 8 13.794 0.371 -2.706 1.00 62.34 H new ATOM 128 N GLN A 9 14.217 4.855 -4.143 1.00 41.15 N ATOM 129 CA GLN A 9 14.298 6.105 -4.889 1.00 54.43 C ATOM 130 C GLN A 9 15.372 7.018 -4.308 1.00 24.12 C ATOM 131 O GLN A 9 15.953 7.841 -5.017 1.00 12.33 O ATOM 132 CB GLN A 9 12.945 6.819 -4.877 1.00 53.12 C ATOM 133 CG GLN A 9 11.843 6.046 -5.584 1.00 12.30 C ATOM 134 CD GLN A 9 12.100 5.890 -7.070 1.00 23.03 C ATOM 135 OE1 GLN A 9 12.559 6.820 -7.733 1.00 44.22 O ATOM 136 NE2 GLN A 9 11.805 4.709 -7.601 1.00 5.21 N ATOM 0 H GLN A 9 13.310 4.680 -3.710 1.00 41.15 H new ATOM 0 HA GLN A 9 14.567 5.867 -5.918 1.00 54.43 H new ATOM 0 HB2 GLN A 9 12.647 6.998 -3.844 1.00 53.12 H new ATOM 0 HB3 GLN A 9 13.054 7.795 -5.350 1.00 53.12 H new ATOM 0 HG2 GLN A 9 11.748 5.060 -5.130 1.00 12.30 H new ATOM 0 HG3 GLN A 9 10.892 6.558 -5.435 1.00 12.30 H new ATOM 0 HE21 GLN A 9 11.426 3.966 -7.014 1.00 5.21 H new ATOM 0 HE22 GLN A 9 11.957 4.545 -8.596 1.00 5.21 H new ATOM 145 N LEU A 10 15.633 6.867 -3.014 1.00 72.10 N ATOM 146 CA LEU A 10 16.638 7.678 -2.336 1.00 64.13 C ATOM 147 C LEU A 10 18.043 7.160 -2.629 1.00 1.32 C ATOM 148 O LEU A 10 19.029 7.881 -2.465 1.00 74.20 O ATOM 149 CB LEU A 10 16.388 7.681 -0.827 1.00 75.43 C ATOM 150 CG LEU A 10 15.319 8.653 -0.326 1.00 61.12 C ATOM 151 CD1 LEU A 10 15.688 10.084 -0.686 1.00 25.41 C ATOM 152 CD2 LEU A 10 13.957 8.291 -0.901 1.00 2.21 C ATOM 0 H LEU A 10 15.162 6.190 -2.413 1.00 72.10 H new ATOM 0 HA LEU A 10 16.560 8.698 -2.712 1.00 64.13 H new ATOM 0 HB2 LEU A 10 16.105 6.673 -0.524 1.00 75.43 H new ATOM 0 HB3 LEU A 10 17.327 7.913 -0.324 1.00 75.43 H new ATOM 0 HG LEU A 10 15.265 8.575 0.760 1.00 61.12 H new ATOM 0 HD11 LEU A 10 14.916 10.762 -0.322 1.00 25.41 H new ATOM 0 HD12 LEU A 10 16.642 10.340 -0.226 1.00 25.41 H new ATOM 0 HD13 LEU A 10 15.771 10.177 -1.769 1.00 25.41 H new ATOM 0 HD21 LEU A 10 13.209 8.993 -0.534 1.00 2.21 H new ATOM 0 HD22 LEU A 10 13.997 8.339 -1.989 1.00 2.21 H new ATOM 0 HD23 LEU A 10 13.689 7.281 -0.592 1.00 2.21 H new ATOM 164 N LEU A 11 18.128 5.908 -3.064 1.00 54.25 N ATOM 165 CA LEU A 11 19.412 5.294 -3.383 1.00 31.12 C ATOM 166 C LEU A 11 19.841 5.635 -4.806 1.00 51.12 C ATOM 167 O LEU A 11 20.132 4.747 -5.607 1.00 52.20 O ATOM 168 CB LEU A 11 19.330 3.776 -3.213 1.00 34.12 C ATOM 169 CG LEU A 11 19.456 3.253 -1.782 1.00 22.14 C ATOM 170 CD1 LEU A 11 20.782 3.681 -1.172 1.00 62.12 C ATOM 171 CD2 LEU A 11 18.293 3.742 -0.930 1.00 64.23 C ATOM 0 H LEU A 11 17.323 5.298 -3.204 1.00 54.25 H new ATOM 0 HA LEU A 11 20.157 5.691 -2.694 1.00 31.12 H new ATOM 0 HB2 LEU A 11 18.378 3.436 -3.620 1.00 34.12 H new ATOM 0 HB3 LEU A 11 20.116 3.320 -3.816 1.00 34.12 H new ATOM 0 HG LEU A 11 19.427 2.164 -1.810 1.00 22.14 H new ATOM 0 HD11 LEU A 11 20.854 3.300 -0.153 1.00 62.12 H new ATOM 0 HD12 LEU A 11 21.603 3.281 -1.768 1.00 62.12 H new ATOM 0 HD13 LEU A 11 20.841 4.769 -1.157 1.00 62.12 H new ATOM 0 HD21 LEU A 11 18.400 3.360 0.085 1.00 64.23 H new ATOM 0 HD22 LEU A 11 18.290 4.832 -0.909 1.00 64.23 H new ATOM 0 HD23 LEU A 11 17.355 3.385 -1.355 1.00 64.23 H new ATOM 183 N ALA A 12 19.880 6.928 -5.113 1.00 74.42 N ATOM 184 CA ALA A 12 20.277 7.386 -6.438 1.00 43.44 C ATOM 185 C ALA A 12 21.495 8.301 -6.360 1.00 52.12 C ATOM 186 O ALA A 12 22.472 8.115 -7.086 1.00 1.04 O ATOM 187 CB ALA A 12 19.120 8.102 -7.118 1.00 53.34 C ATOM 0 H ALA A 12 19.641 7.676 -4.462 1.00 74.42 H new ATOM 0 HA ALA A 12 20.548 6.513 -7.031 1.00 43.44 H new ATOM 0 HB1 ALA A 12 19.431 8.439 -8.107 1.00 53.34 H new ATOM 0 HB2 ALA A 12 18.276 7.419 -7.216 1.00 53.34 H new ATOM 0 HB3 ALA A 12 18.822 8.963 -6.519 1.00 53.34 H new ATOM 193 N LYS A 13 21.430 9.291 -5.476 1.00 33.31 N ATOM 194 CA LYS A 13 22.527 10.235 -5.302 1.00 12.23 C ATOM 195 C LYS A 13 23.739 9.552 -4.676 1.00 52.04 C ATOM 196 O LYS A 13 24.863 10.044 -4.779 1.00 54.41 O ATOM 197 CB LYS A 13 22.082 11.409 -4.427 1.00 1.43 C ATOM 198 CG LYS A 13 21.732 11.009 -3.004 1.00 10.21 C ATOM 199 CD LYS A 13 20.229 11.006 -2.779 1.00 42.42 C ATOM 200 CE LYS A 13 19.712 12.399 -2.455 1.00 15.42 C ATOM 201 NZ LYS A 13 19.701 12.660 -0.989 1.00 30.44 N ATOM 0 H LYS A 13 20.628 9.460 -4.869 1.00 33.31 H new ATOM 0 HA LYS A 13 22.811 10.609 -6.286 1.00 12.23 H new ATOM 0 HB2 LYS A 13 22.878 12.154 -4.401 1.00 1.43 H new ATOM 0 HB3 LYS A 13 21.215 11.885 -4.885 1.00 1.43 H new ATOM 0 HG2 LYS A 13 22.134 10.018 -2.794 1.00 10.21 H new ATOM 0 HG3 LYS A 13 22.204 11.699 -2.305 1.00 10.21 H new ATOM 0 HD2 LYS A 13 19.727 10.629 -3.670 1.00 42.42 H new ATOM 0 HD3 LYS A 13 19.983 10.326 -1.963 1.00 42.42 H new ATOM 0 HE2 LYS A 13 20.336 13.142 -2.951 1.00 15.42 H new ATOM 0 HE3 LYS A 13 18.703 12.513 -2.852 1.00 15.42 H new ATOM 0 HZ1 LYS A 13 19.342 13.620 -0.810 1.00 30.44 H new ATOM 0 HZ2 LYS A 13 19.086 11.967 -0.518 1.00 30.44 H new ATOM 0 HZ3 LYS A 13 20.668 12.576 -0.614 1.00 30.44 H new ATOM 215 N TYR A 14 23.503 8.416 -4.030 1.00 65.43 N ATOM 216 CA TYR A 14 24.576 7.665 -3.388 1.00 1.52 C ATOM 217 C TYR A 14 25.402 6.903 -4.420 1.00 13.22 C ATOM 218 O TYR A 14 26.616 6.762 -4.279 1.00 33.22 O ATOM 219 CB TYR A 14 24.000 6.691 -2.359 1.00 2.33 C ATOM 220 CG TYR A 14 23.330 7.374 -1.188 1.00 21.24 C ATOM 221 CD1 TYR A 14 23.987 8.362 -0.465 1.00 51.44 C ATOM 222 CD2 TYR A 14 22.039 7.031 -0.804 1.00 64.41 C ATOM 223 CE1 TYR A 14 23.379 8.988 0.606 1.00 72.14 C ATOM 224 CE2 TYR A 14 21.423 7.652 0.265 1.00 72.22 C ATOM 225 CZ TYR A 14 22.097 8.629 0.967 1.00 53.43 C ATOM 226 OH TYR A 14 21.487 9.251 2.032 1.00 11.11 O ATOM 0 H TYR A 14 22.579 7.995 -3.937 1.00 65.43 H new ATOM 0 HA TYR A 14 25.229 8.375 -2.881 1.00 1.52 H new ATOM 0 HB2 TYR A 14 23.277 6.041 -2.852 1.00 2.33 H new ATOM 0 HB3 TYR A 14 24.801 6.053 -1.987 1.00 2.33 H new ATOM 0 HD1 TYR A 14 24.991 8.646 -0.745 1.00 51.44 H new ATOM 0 HD2 TYR A 14 21.508 6.266 -1.351 1.00 64.41 H new ATOM 0 HE1 TYR A 14 23.904 9.754 1.157 1.00 72.14 H new ATOM 0 HE2 TYR A 14 20.419 7.374 0.550 1.00 72.22 H new ATOM 0 HH TYR A 14 20.587 8.884 2.154 1.00 11.11 H new ATOM 236 N GLY A 15 24.732 6.414 -5.459 1.00 64.04 N ATOM 237 CA GLY A 15 25.419 5.672 -6.501 1.00 53.51 C ATOM 238 C GLY A 15 24.814 4.302 -6.731 1.00 64.51 C ATOM 239 O GLY A 15 23.733 4.000 -6.227 1.00 33.12 O ATOM 0 H GLY A 15 23.727 6.518 -5.598 1.00 64.04 H new ATOM 0 HA2 GLY A 15 25.386 6.241 -7.430 1.00 53.51 H new ATOM 0 HA3 GLY A 15 26.469 5.562 -6.232 1.00 53.51 H new ATOM 243 N SER A 16 25.513 3.469 -7.496 1.00 43.12 N ATOM 244 CA SER A 16 25.036 2.124 -7.797 1.00 4.32 C ATOM 245 C SER A 16 25.663 1.102 -6.853 1.00 52.20 C ATOM 246 O SER A 16 25.799 -0.073 -7.193 1.00 70.22 O ATOM 247 CB SER A 16 25.357 1.759 -9.248 1.00 13.25 C ATOM 248 OG SER A 16 24.474 2.411 -10.144 1.00 70.02 O ATOM 0 H SER A 16 26.412 3.702 -7.919 1.00 43.12 H new ATOM 0 HA SER A 16 23.955 2.108 -7.656 1.00 4.32 H new ATOM 0 HB2 SER A 16 26.385 2.038 -9.478 1.00 13.25 H new ATOM 0 HB3 SER A 16 25.283 0.680 -9.380 1.00 13.25 H new ATOM 0 HG SER A 16 24.700 2.163 -11.065 1.00 70.02 H new ATOM 254 N LYS A 17 26.043 1.559 -5.665 1.00 33.25 N ATOM 255 CA LYS A 17 26.654 0.686 -4.669 1.00 11.52 C ATOM 256 C LYS A 17 25.751 0.538 -3.448 1.00 45.30 C ATOM 257 O LYS A 17 25.631 -0.548 -2.882 1.00 1.43 O ATOM 258 CB LYS A 17 28.017 1.239 -4.245 1.00 32.52 C ATOM 259 CG LYS A 17 28.813 0.287 -3.369 1.00 32.41 C ATOM 260 CD LYS A 17 30.117 0.914 -2.905 1.00 52.02 C ATOM 261 CE LYS A 17 29.868 2.120 -2.013 1.00 4.42 C ATOM 262 NZ LYS A 17 30.976 2.327 -1.039 1.00 35.15 N ATOM 0 H LYS A 17 25.939 2.529 -5.368 1.00 33.25 H new ATOM 0 HA LYS A 17 26.791 -0.297 -5.119 1.00 11.52 H new ATOM 0 HB2 LYS A 17 28.599 1.472 -5.137 1.00 32.52 H new ATOM 0 HB3 LYS A 17 27.869 2.176 -3.708 1.00 32.52 H new ATOM 0 HG2 LYS A 17 28.216 0.004 -2.502 1.00 32.41 H new ATOM 0 HG3 LYS A 17 29.025 -0.627 -3.923 1.00 32.41 H new ATOM 0 HD2 LYS A 17 30.705 0.174 -2.362 1.00 52.02 H new ATOM 0 HD3 LYS A 17 30.705 1.216 -3.771 1.00 52.02 H new ATOM 0 HE2 LYS A 17 29.756 3.011 -2.630 1.00 4.42 H new ATOM 0 HE3 LYS A 17 28.930 1.986 -1.474 1.00 4.42 H new ATOM 0 HZ1 LYS A 17 30.769 3.158 -0.449 1.00 35.15 H new ATOM 0 HZ2 LYS A 17 31.067 1.487 -0.433 1.00 35.15 H new ATOM 0 HZ3 LYS A 17 31.867 2.481 -1.554 1.00 35.15 H new ATOM 276 N ALA A 18 25.118 1.637 -3.049 1.00 25.41 N ATOM 277 CA ALA A 18 24.224 1.627 -1.898 1.00 4.42 C ATOM 278 C ALA A 18 22.856 1.066 -2.270 1.00 2.22 C ATOM 279 O ALA A 18 22.129 0.558 -1.416 1.00 3.10 O ATOM 280 CB ALA A 18 24.084 3.031 -1.327 1.00 60.12 C ATOM 0 H ALA A 18 25.208 2.545 -3.506 1.00 25.41 H new ATOM 0 HA ALA A 18 24.658 0.978 -1.137 1.00 4.42 H new ATOM 0 HB1 ALA A 18 23.414 3.009 -0.468 1.00 60.12 H new ATOM 0 HB2 ALA A 18 25.062 3.396 -1.015 1.00 60.12 H new ATOM 0 HB3 ALA A 18 23.676 3.695 -2.089 1.00 60.12 H new ATOM 286 N VAL A 19 22.510 1.162 -3.550 1.00 4.02 N ATOM 287 CA VAL A 19 21.229 0.663 -4.035 1.00 1.50 C ATOM 288 C VAL A 19 21.243 -0.856 -4.163 1.00 3.41 C ATOM 289 O VAL A 19 20.211 -1.509 -4.020 1.00 35.42 O ATOM 290 CB VAL A 19 20.868 1.279 -5.400 1.00 13.23 C ATOM 291 CG1 VAL A 19 21.824 0.790 -6.477 1.00 20.04 C ATOM 292 CG2 VAL A 19 19.428 0.954 -5.766 1.00 74.40 C ATOM 0 H VAL A 19 23.099 1.581 -4.270 1.00 4.02 H new ATOM 0 HA VAL A 19 20.477 0.955 -3.302 1.00 1.50 H new ATOM 0 HB VAL A 19 20.965 2.362 -5.327 1.00 13.23 H new ATOM 0 HG11 VAL A 19 21.553 1.236 -7.434 1.00 20.04 H new ATOM 0 HG12 VAL A 19 22.843 1.079 -6.218 1.00 20.04 H new ATOM 0 HG13 VAL A 19 21.763 -0.296 -6.552 1.00 20.04 H new ATOM 0 HG21 VAL A 19 19.190 1.397 -6.733 1.00 74.40 H new ATOM 0 HG22 VAL A 19 19.302 -0.127 -5.821 1.00 74.40 H new ATOM 0 HG23 VAL A 19 18.759 1.359 -5.007 1.00 74.40 H new ATOM 302 N GLN A 20 22.421 -1.410 -4.433 1.00 34.34 N ATOM 303 CA GLN A 20 22.569 -2.853 -4.580 1.00 32.41 C ATOM 304 C GLN A 20 22.156 -3.576 -3.302 1.00 23.21 C ATOM 305 O GLN A 20 21.558 -4.651 -3.351 1.00 23.11 O ATOM 306 CB GLN A 20 24.014 -3.205 -4.935 1.00 64.21 C ATOM 307 CG GLN A 20 24.155 -4.524 -5.677 1.00 72.52 C ATOM 308 CD GLN A 20 23.305 -4.582 -6.931 1.00 41.24 C ATOM 309 OE1 GLN A 20 23.396 -3.711 -7.797 1.00 51.30 O ATOM 310 NE2 GLN A 20 22.473 -5.611 -7.036 1.00 55.12 N ATOM 0 H GLN A 20 23.285 -0.882 -4.554 1.00 34.34 H new ATOM 0 HA GLN A 20 21.914 -3.179 -5.388 1.00 32.41 H new ATOM 0 HB2 GLN A 20 24.434 -2.407 -5.547 1.00 64.21 H new ATOM 0 HB3 GLN A 20 24.604 -3.248 -4.019 1.00 64.21 H new ATOM 0 HG2 GLN A 20 25.201 -4.676 -5.944 1.00 72.52 H new ATOM 0 HG3 GLN A 20 23.873 -5.342 -5.014 1.00 72.52 H new ATOM 0 HE21 GLN A 20 22.430 -6.310 -6.294 1.00 55.12 H new ATOM 0 HE22 GLN A 20 21.877 -5.703 -7.858 1.00 55.12 H new ATOM 319 N TRP A 21 22.480 -2.980 -2.160 1.00 50.24 N ATOM 320 CA TRP A 21 22.143 -3.568 -0.869 1.00 1.33 C ATOM 321 C TRP A 21 20.648 -3.853 -0.774 1.00 4.13 C ATOM 322 O TRP A 21 20.235 -5.002 -0.624 1.00 71.35 O ATOM 323 CB TRP A 21 22.570 -2.635 0.266 1.00 21.31 C ATOM 324 CG TRP A 21 22.635 -3.315 1.600 1.00 4.34 C ATOM 325 CD1 TRP A 21 23.485 -4.319 1.968 1.00 11.22 C ATOM 326 CD2 TRP A 21 21.817 -3.040 2.743 1.00 71.44 C ATOM 327 NE1 TRP A 21 23.244 -4.685 3.270 1.00 33.33 N ATOM 328 CE2 TRP A 21 22.226 -3.915 3.768 1.00 71.50 C ATOM 329 CE3 TRP A 21 20.780 -2.140 3.000 1.00 50.32 C ATOM 330 CZ2 TRP A 21 21.632 -3.915 5.027 1.00 4.14 C ATOM 331 CZ3 TRP A 21 20.192 -2.141 4.250 1.00 13.42 C ATOM 332 CH2 TRP A 21 20.619 -3.023 5.252 1.00 44.44 C ATOM 0 H TRP A 21 22.975 -2.090 -2.102 1.00 50.24 H new ATOM 0 HA TRP A 21 22.680 -4.512 -0.776 1.00 1.33 H new ATOM 0 HB2 TRP A 21 23.548 -2.214 0.033 1.00 21.31 H new ATOM 0 HB3 TRP A 21 21.870 -1.801 0.325 1.00 21.31 H new ATOM 0 HD1 TRP A 21 24.236 -4.760 1.329 1.00 11.22 H new ATOM 0 HE1 TRP A 21 23.742 -5.412 3.783 1.00 33.33 H new ATOM 0 HE3 TRP A 21 20.444 -1.456 2.235 1.00 50.32 H new ATOM 0 HZ2 TRP A 21 21.959 -4.595 5.799 1.00 4.14 H new ATOM 0 HZ3 TRP A 21 19.389 -1.450 4.459 1.00 13.42 H new ATOM 0 HH2 TRP A 21 20.140 -2.998 6.220 1.00 44.44 H new ATOM 343 N ALA A 22 19.843 -2.800 -0.861 1.00 55.33 N ATOM 344 CA ALA A 22 18.393 -2.938 -0.787 1.00 64.44 C ATOM 345 C ALA A 22 17.891 -3.987 -1.774 1.00 23.44 C ATOM 346 O ALA A 22 17.147 -4.895 -1.403 1.00 53.11 O ATOM 347 CB ALA A 22 17.721 -1.599 -1.051 1.00 20.15 C ATOM 0 H ALA A 22 20.170 -1.841 -0.983 1.00 55.33 H new ATOM 0 HA ALA A 22 18.135 -3.269 0.219 1.00 64.44 H new ATOM 0 HB1 ALA A 22 16.639 -1.717 -0.993 1.00 20.15 H new ATOM 0 HB2 ALA A 22 18.048 -0.875 -0.305 1.00 20.15 H new ATOM 0 HB3 ALA A 22 17.994 -1.245 -2.045 1.00 20.15 H new ATOM 353 N TRP A 23 18.303 -3.856 -3.030 1.00 33.45 N ATOM 354 CA TRP A 23 17.893 -4.794 -4.069 1.00 42.44 C ATOM 355 C TRP A 23 18.302 -6.218 -3.710 1.00 50.22 C ATOM 356 O TRP A 23 17.649 -7.181 -4.111 1.00 53.53 O ATOM 357 CB TRP A 23 18.508 -4.397 -5.413 1.00 15.12 C ATOM 358 CG TRP A 23 17.676 -3.414 -6.179 1.00 54.42 C ATOM 359 CD1 TRP A 23 17.942 -2.088 -6.370 1.00 50.21 C ATOM 360 CD2 TRP A 23 16.442 -3.678 -6.855 1.00 74.33 C ATOM 361 NE1 TRP A 23 16.948 -1.512 -7.124 1.00 72.31 N ATOM 362 CE2 TRP A 23 16.016 -2.467 -7.435 1.00 62.12 C ATOM 363 CE3 TRP A 23 15.656 -4.821 -7.029 1.00 51.31 C ATOM 364 CZ2 TRP A 23 14.840 -2.369 -8.174 1.00 1.41 C ATOM 365 CZ3 TRP A 23 14.489 -4.721 -7.762 1.00 73.22 C ATOM 366 CH2 TRP A 23 14.090 -3.503 -8.328 1.00 1.20 C ATOM 0 H TRP A 23 18.920 -3.111 -3.353 1.00 33.45 H new ATOM 0 HA TRP A 23 16.807 -4.758 -4.149 1.00 42.44 H new ATOM 0 HB2 TRP A 23 19.496 -3.970 -5.240 1.00 15.12 H new ATOM 0 HB3 TRP A 23 18.649 -5.292 -6.018 1.00 15.12 H new ATOM 0 HD1 TRP A 23 18.807 -1.568 -5.985 1.00 50.21 H new ATOM 0 HE1 TRP A 23 16.910 -0.533 -7.406 1.00 72.31 H new ATOM 0 HE3 TRP A 23 15.956 -5.765 -6.598 1.00 51.31 H new ATOM 0 HZ2 TRP A 23 14.531 -1.431 -8.610 1.00 1.41 H new ATOM 0 HZ3 TRP A 23 13.873 -5.597 -7.901 1.00 73.22 H new ATOM 0 HH2 TRP A 23 13.173 -3.458 -8.897 1.00 1.20 H new ATOM 377 N ALA A 24 19.386 -6.344 -2.952 1.00 62.42 N ATOM 378 CA ALA A 24 19.880 -7.652 -2.537 1.00 50.45 C ATOM 379 C ALA A 24 19.069 -8.199 -1.368 1.00 2.13 C ATOM 380 O ALA A 24 18.314 -9.158 -1.519 1.00 14.11 O ATOM 381 CB ALA A 24 21.353 -7.566 -2.167 1.00 22.11 C ATOM 0 H ALA A 24 19.939 -5.557 -2.613 1.00 62.42 H new ATOM 0 HA ALA A 24 19.767 -8.339 -3.376 1.00 50.45 H new ATOM 0 HB1 ALA A 24 21.709 -8.549 -1.859 1.00 22.11 H new ATOM 0 HB2 ALA A 24 21.926 -7.227 -3.030 1.00 22.11 H new ATOM 0 HB3 ALA A 24 21.481 -6.860 -1.346 1.00 22.11 H new ATOM 387 N ASN A 25 19.232 -7.583 -0.201 1.00 62.12 N ATOM 388 CA ASN A 25 18.516 -8.010 0.995 1.00 33.12 C ATOM 389 C ASN A 25 17.008 -7.983 0.765 1.00 72.31 C ATOM 390 O ASN A 25 16.425 -6.928 0.514 1.00 63.01 O ATOM 391 CB ASN A 25 18.878 -7.112 2.180 1.00 41.03 C ATOM 392 CG ASN A 25 20.165 -7.541 2.858 1.00 33.03 C ATOM 393 OD1 ASN A 25 20.175 -8.474 3.662 1.00 54.41 O ATOM 394 ND2 ASN A 25 21.258 -6.860 2.537 1.00 44.11 N ATOM 0 H ASN A 25 19.854 -6.787 -0.059 1.00 62.12 H new ATOM 0 HA ASN A 25 18.814 -9.034 1.220 1.00 33.12 H new ATOM 0 HB2 ASN A 25 18.978 -6.083 1.835 1.00 41.03 H new ATOM 0 HB3 ASN A 25 18.065 -7.128 2.906 1.00 41.03 H new ATOM 0 HD21 ASN A 25 22.153 -7.103 2.962 1.00 44.11 H new ATOM 0 HD22 ASN A 25 21.203 -6.094 1.866 1.00 44.11 H new ATOM 401 N LYS A 26 16.381 -9.151 0.853 1.00 74.34 N ATOM 402 CA LYS A 26 14.940 -9.264 0.656 1.00 2.41 C ATOM 403 C LYS A 26 14.264 -9.830 1.901 1.00 53.45 C ATOM 404 O LYS A 26 13.748 -10.946 1.885 1.00 73.32 O ATOM 405 CB LYS A 26 14.637 -10.154 -0.551 1.00 43.45 C ATOM 406 CG LYS A 26 15.386 -11.475 -0.536 1.00 45.24 C ATOM 407 CD LYS A 26 15.173 -12.251 -1.825 1.00 64.30 C ATOM 408 CE LYS A 26 13.800 -12.905 -1.862 1.00 3.45 C ATOM 409 NZ LYS A 26 13.517 -13.526 -3.185 1.00 15.40 N ATOM 0 H LYS A 26 16.848 -10.034 1.060 1.00 74.34 H new ATOM 0 HA LYS A 26 14.544 -8.265 0.471 1.00 2.41 H new ATOM 0 HB2 LYS A 26 13.566 -10.354 -0.585 1.00 43.45 H new ATOM 0 HB3 LYS A 26 14.889 -9.613 -1.463 1.00 43.45 H new ATOM 0 HG2 LYS A 26 16.451 -11.289 -0.394 1.00 45.24 H new ATOM 0 HG3 LYS A 26 15.051 -12.075 0.310 1.00 45.24 H new ATOM 0 HD2 LYS A 26 15.280 -11.580 -2.677 1.00 64.30 H new ATOM 0 HD3 LYS A 26 15.944 -13.015 -1.922 1.00 64.30 H new ATOM 0 HE2 LYS A 26 13.739 -13.665 -1.083 1.00 3.45 H new ATOM 0 HE3 LYS A 26 13.037 -12.159 -1.640 1.00 3.45 H new ATOM 0 HZ1 LYS A 26 12.572 -13.961 -3.169 1.00 15.40 H new ATOM 0 HZ2 LYS A 26 13.550 -12.796 -3.925 1.00 15.40 H new ATOM 0 HZ3 LYS A 26 14.231 -14.255 -3.386 1.00 15.40 H new ATOM 423 N GLY A 27 14.269 -9.050 2.978 1.00 71.31 N ATOM 424 CA GLY A 27 13.652 -9.491 4.215 1.00 14.11 C ATOM 425 C GLY A 27 13.949 -8.561 5.375 1.00 62.22 C ATOM 426 O GLY A 27 13.035 -8.022 5.999 1.00 20.42 O ATOM 0 H GLY A 27 14.689 -8.121 3.016 1.00 71.31 H new ATOM 0 HA2 GLY A 27 12.573 -9.559 4.075 1.00 14.11 H new ATOM 0 HA3 GLY A 27 14.006 -10.493 4.457 1.00 14.11 H new ATOM 430 N LYS A 28 15.232 -8.373 5.666 1.00 52.11 N ATOM 431 CA LYS A 28 15.649 -7.502 6.759 1.00 61.43 C ATOM 432 C LYS A 28 15.007 -6.125 6.632 1.00 2.52 C ATOM 433 O LYS A 28 14.559 -5.545 7.622 1.00 34.40 O ATOM 434 CB LYS A 28 17.173 -7.367 6.777 1.00 43.14 C ATOM 435 CG LYS A 28 17.684 -6.379 7.811 1.00 20.12 C ATOM 436 CD LYS A 28 17.441 -6.878 9.226 1.00 51.31 C ATOM 437 CE LYS A 28 18.032 -5.931 10.260 1.00 70.44 C ATOM 438 NZ LYS A 28 19.505 -6.107 10.395 1.00 74.14 N ATOM 0 H LYS A 28 16.001 -8.812 5.160 1.00 52.11 H new ATOM 0 HA LYS A 28 15.319 -7.952 7.696 1.00 61.43 H new ATOM 0 HB2 LYS A 28 17.614 -8.345 6.972 1.00 43.14 H new ATOM 0 HB3 LYS A 28 17.513 -7.055 5.790 1.00 43.14 H new ATOM 0 HG2 LYS A 28 18.751 -6.213 7.661 1.00 20.12 H new ATOM 0 HG3 LYS A 28 17.189 -5.418 7.673 1.00 20.12 H new ATOM 0 HD2 LYS A 28 16.370 -6.983 9.397 1.00 51.31 H new ATOM 0 HD3 LYS A 28 17.881 -7.868 9.344 1.00 51.31 H new ATOM 0 HE2 LYS A 28 17.814 -4.901 9.976 1.00 70.44 H new ATOM 0 HE3 LYS A 28 17.556 -6.104 11.225 1.00 70.44 H new ATOM 0 HZ1 LYS A 28 19.870 -5.444 11.109 1.00 74.14 H new ATOM 0 HZ2 LYS A 28 19.712 -7.082 10.690 1.00 74.14 H new ATOM 0 HZ3 LYS A 28 19.963 -5.917 9.480 1.00 74.14 H new ATOM 452 N ILE A 29 14.966 -5.606 5.409 1.00 35.24 N ATOM 453 CA ILE A 29 14.376 -4.298 5.155 1.00 51.25 C ATOM 454 C ILE A 29 12.853 -4.377 5.126 1.00 23.13 C ATOM 455 O ILE A 29 12.165 -3.518 5.679 1.00 5.41 O ATOM 456 CB ILE A 29 14.873 -3.706 3.822 1.00 33.41 C ATOM 457 CG1 ILE A 29 16.400 -3.620 3.815 1.00 23.34 C ATOM 458 CG2 ILE A 29 14.258 -2.334 3.590 1.00 24.01 C ATOM 459 CD1 ILE A 29 16.968 -3.062 2.529 1.00 24.42 C ATOM 0 H ILE A 29 15.334 -6.071 4.579 1.00 35.24 H new ATOM 0 HA ILE A 29 14.688 -3.647 5.972 1.00 51.25 H new ATOM 0 HB ILE A 29 14.562 -4.364 3.011 1.00 33.41 H new ATOM 0 HG12 ILE A 29 16.724 -2.995 4.647 1.00 23.34 H new ATOM 0 HG13 ILE A 29 16.813 -4.615 3.983 1.00 23.34 H new ATOM 0 HG21 ILE A 29 14.619 -1.929 2.645 1.00 24.01 H new ATOM 0 HG22 ILE A 29 13.172 -2.423 3.556 1.00 24.01 H new ATOM 0 HG23 ILE A 29 14.542 -1.666 4.403 1.00 24.01 H new ATOM 0 HD11 ILE A 29 18.056 -3.030 2.595 1.00 24.42 H new ATOM 0 HD12 ILE A 29 16.674 -3.699 1.695 1.00 24.42 H new ATOM 0 HD13 ILE A 29 16.584 -2.054 2.369 1.00 24.42 H new ATOM 471 N LEU A 30 12.332 -5.415 4.481 1.00 44.54 N ATOM 472 CA LEU A 30 10.890 -5.608 4.382 1.00 71.24 C ATOM 473 C LEU A 30 10.249 -5.644 5.765 1.00 20.23 C ATOM 474 O LEU A 30 9.070 -5.325 5.923 1.00 65.01 O ATOM 475 CB LEU A 30 10.580 -6.904 3.630 1.00 51.24 C ATOM 476 CG LEU A 30 10.525 -6.798 2.105 1.00 31.32 C ATOM 477 CD1 LEU A 30 9.398 -5.873 1.674 1.00 14.14 C ATOM 478 CD2 LEU A 30 11.857 -6.310 1.556 1.00 65.21 C ATOM 0 H LEU A 30 12.887 -6.136 4.019 1.00 44.54 H new ATOM 0 HA LEU A 30 10.473 -4.766 3.830 1.00 71.24 H new ATOM 0 HB2 LEU A 30 11.335 -7.644 3.896 1.00 51.24 H new ATOM 0 HB3 LEU A 30 9.622 -7.285 3.983 1.00 51.24 H new ATOM 0 HG LEU A 30 10.328 -7.790 1.698 1.00 31.32 H new ATOM 0 HD11 LEU A 30 9.375 -5.810 0.586 1.00 14.14 H new ATOM 0 HD12 LEU A 30 8.447 -6.265 2.035 1.00 14.14 H new ATOM 0 HD13 LEU A 30 9.563 -4.880 2.091 1.00 14.14 H new ATOM 0 HD21 LEU A 30 11.799 -6.241 0.470 1.00 65.21 H new ATOM 0 HD22 LEU A 30 12.084 -5.328 1.971 1.00 65.21 H new ATOM 0 HD23 LEU A 30 12.644 -7.011 1.834 1.00 65.21 H new ATOM 490 N ASP A 31 11.033 -6.033 6.765 1.00 42.43 N ATOM 491 CA ASP A 31 10.543 -6.107 8.136 1.00 5.13 C ATOM 492 C ASP A 31 10.411 -4.713 8.742 1.00 35.21 C ATOM 493 O ASP A 31 9.447 -4.424 9.452 1.00 5.22 O ATOM 494 CB ASP A 31 11.483 -6.960 8.990 1.00 34.32 C ATOM 495 CG ASP A 31 11.222 -8.445 8.830 1.00 33.12 C ATOM 496 OD1 ASP A 31 10.782 -8.855 7.736 1.00 32.21 O ATOM 497 OD2 ASP A 31 11.457 -9.197 9.800 1.00 54.14 O ATOM 0 H ASP A 31 12.010 -6.302 6.651 1.00 42.43 H new ATOM 0 HA ASP A 31 9.557 -6.571 8.119 1.00 5.13 H new ATOM 0 HB2 ASP A 31 12.515 -6.744 8.715 1.00 34.32 H new ATOM 0 HB3 ASP A 31 11.368 -6.684 10.038 1.00 34.32 H new ATOM 502 N TRP A 32 11.383 -3.855 8.458 1.00 64.13 N ATOM 503 CA TRP A 32 11.375 -2.492 8.976 1.00 43.32 C ATOM 504 C TRP A 32 10.050 -1.802 8.673 1.00 73.11 C ATOM 505 O TRP A 32 9.466 -1.149 9.539 1.00 1.00 O ATOM 506 CB TRP A 32 12.531 -1.689 8.375 1.00 33.23 C ATOM 507 CG TRP A 32 13.864 -2.033 8.968 1.00 12.32 C ATOM 508 CD1 TRP A 32 14.102 -2.528 10.219 1.00 54.44 C ATOM 509 CD2 TRP A 32 15.142 -1.905 8.335 1.00 13.23 C ATOM 510 NE1 TRP A 32 15.451 -2.715 10.401 1.00 35.03 N ATOM 511 CE2 TRP A 32 16.110 -2.341 9.260 1.00 22.34 C ATOM 512 CE3 TRP A 32 15.562 -1.466 7.077 1.00 71.11 C ATOM 513 CZ2 TRP A 32 17.471 -2.350 8.965 1.00 13.40 C ATOM 514 CZ3 TRP A 32 16.913 -1.475 6.785 1.00 13.44 C ATOM 515 CH2 TRP A 32 17.854 -1.915 7.725 1.00 0.45 C ATOM 0 H TRP A 32 12.187 -4.079 7.872 1.00 64.13 H new ATOM 0 HA TRP A 32 11.499 -2.541 10.058 1.00 43.32 H new ATOM 0 HB2 TRP A 32 12.564 -1.863 7.299 1.00 33.23 H new ATOM 0 HB3 TRP A 32 12.340 -0.626 8.521 1.00 33.23 H new ATOM 0 HD1 TRP A 32 13.342 -2.741 10.956 1.00 54.44 H new ATOM 0 HE1 TRP A 32 15.890 -3.074 11.249 1.00 35.03 H new ATOM 0 HE3 TRP A 32 14.844 -1.126 6.346 1.00 71.11 H new ATOM 0 HZ2 TRP A 32 18.198 -2.688 9.689 1.00 13.40 H new ATOM 0 HZ3 TRP A 32 17.249 -1.137 5.816 1.00 13.44 H new ATOM 0 HH2 TRP A 32 18.902 -1.911 7.466 1.00 0.45 H new ATOM 526 N LEU A 33 9.579 -1.951 7.440 1.00 54.02 N ATOM 527 CA LEU A 33 8.320 -1.342 7.023 1.00 62.11 C ATOM 528 C LEU A 33 7.195 -1.701 7.988 1.00 22.43 C ATOM 529 O LEU A 33 6.374 -0.856 8.342 1.00 24.33 O ATOM 530 CB LEU A 33 7.957 -1.794 5.607 1.00 14.14 C ATOM 531 CG LEU A 33 8.901 -1.339 4.494 1.00 24.53 C ATOM 532 CD1 LEU A 33 8.679 -2.163 3.235 1.00 34.25 C ATOM 533 CD2 LEU A 33 8.711 0.142 4.205 1.00 50.30 C ATOM 0 H LEU A 33 10.049 -2.488 6.711 1.00 54.02 H new ATOM 0 HA LEU A 33 8.448 -0.260 7.031 1.00 62.11 H new ATOM 0 HB2 LEU A 33 7.912 -2.883 5.595 1.00 14.14 H new ATOM 0 HB3 LEU A 33 6.955 -1.431 5.377 1.00 14.14 H new ATOM 0 HG LEU A 33 9.927 -1.494 4.829 1.00 24.53 H new ATOM 0 HD11 LEU A 33 9.360 -1.825 2.454 1.00 34.25 H new ATOM 0 HD12 LEU A 33 8.868 -3.215 3.450 1.00 34.25 H new ATOM 0 HD13 LEU A 33 7.650 -2.041 2.897 1.00 34.25 H new ATOM 0 HD21 LEU A 33 9.391 0.448 3.410 1.00 50.30 H new ATOM 0 HD22 LEU A 33 7.683 0.323 3.892 1.00 50.30 H new ATOM 0 HD23 LEU A 33 8.923 0.719 5.106 1.00 50.30 H new ATOM 545 N ASN A 34 7.166 -2.961 8.412 1.00 54.21 N ATOM 546 CA ASN A 34 6.142 -3.432 9.338 1.00 3.22 C ATOM 547 C ASN A 34 6.314 -2.789 10.711 1.00 21.12 C ATOM 548 O ASN A 34 5.339 -2.550 11.422 1.00 33.24 O ATOM 549 CB ASN A 34 6.202 -4.955 9.465 1.00 73.42 C ATOM 550 CG ASN A 34 5.743 -5.659 8.202 1.00 10.21 C ATOM 551 OD1 ASN A 34 4.573 -5.584 7.827 1.00 51.13 O ATOM 552 ND2 ASN A 34 6.666 -6.347 7.540 1.00 35.41 N ATOM 0 H ASN A 34 7.839 -3.673 8.129 1.00 54.21 H new ATOM 0 HA ASN A 34 5.168 -3.145 8.941 1.00 3.22 H new ATOM 0 HB2 ASN A 34 7.223 -5.258 9.696 1.00 73.42 H new ATOM 0 HB3 ASN A 34 5.579 -5.272 10.301 1.00 73.42 H new ATOM 0 HD21 ASN A 34 6.417 -6.841 6.683 1.00 35.41 H new ATOM 0 HD22 ASN A 34 7.624 -6.381 7.888 1.00 35.41 H new ATOM 559 N ALA A 35 7.561 -2.511 11.077 1.00 64.44 N ATOM 560 CA ALA A 35 7.861 -1.894 12.363 1.00 62.24 C ATOM 561 C ALA A 35 8.134 -0.402 12.205 1.00 64.20 C ATOM 562 O ALA A 35 8.828 0.201 13.022 1.00 44.40 O ATOM 563 CB ALA A 35 9.050 -2.584 13.015 1.00 71.40 C ATOM 0 H ALA A 35 8.380 -2.704 10.501 1.00 64.44 H new ATOM 0 HA ALA A 35 6.989 -2.011 13.007 1.00 62.24 H new ATOM 0 HB1 ALA A 35 9.263 -2.113 13.975 1.00 71.40 H new ATOM 0 HB2 ALA A 35 8.818 -3.638 13.171 1.00 71.40 H new ATOM 0 HB3 ALA A 35 9.922 -2.497 12.367 1.00 71.40 H new ATOM 569 N GLY A 36 7.584 0.187 11.148 1.00 41.32 N ATOM 570 CA GLY A 36 7.781 1.604 10.902 1.00 21.11 C ATOM 571 C GLY A 36 7.730 1.949 9.427 1.00 14.31 C ATOM 572 O GLY A 36 8.763 2.014 8.763 1.00 43.25 O ATOM 0 H GLY A 36 7.005 -0.291 10.457 1.00 41.32 H new ATOM 0 HA2 GLY A 36 7.015 2.171 11.431 1.00 21.11 H new ATOM 0 HA3 GLY A 36 8.744 1.910 11.310 1.00 21.11 H new ATOM 576 N GLN A 37 6.523 2.170 8.914 1.00 23.43 N ATOM 577 CA GLN A 37 6.342 2.508 7.508 1.00 71.55 C ATOM 578 C GLN A 37 6.802 3.934 7.227 1.00 51.32 C ATOM 579 O GLN A 37 5.988 4.853 7.139 1.00 41.11 O ATOM 580 CB GLN A 37 4.875 2.344 7.107 1.00 33.10 C ATOM 581 CG GLN A 37 4.333 0.943 7.341 1.00 71.02 C ATOM 582 CD GLN A 37 2.838 0.849 7.109 1.00 14.42 C ATOM 583 OE1 GLN A 37 2.052 0.815 8.057 1.00 70.42 O ATOM 584 NE2 GLN A 37 2.436 0.808 5.844 1.00 14.33 N ATOM 0 H GLN A 37 5.657 2.121 9.451 1.00 23.43 H new ATOM 0 HA GLN A 37 6.952 1.826 6.915 1.00 71.55 H new ATOM 0 HB2 GLN A 37 4.272 3.057 7.669 1.00 33.10 H new ATOM 0 HB3 GLN A 37 4.765 2.596 6.052 1.00 33.10 H new ATOM 0 HG2 GLN A 37 4.844 0.245 6.678 1.00 71.02 H new ATOM 0 HG3 GLN A 37 4.558 0.636 8.362 1.00 71.02 H new ATOM 0 HE21 GLN A 37 3.122 0.839 5.090 1.00 14.33 H new ATOM 0 HE22 GLN A 37 1.441 0.746 5.627 1.00 14.33 H new ATOM 593 N ALA A 38 8.112 4.112 7.087 1.00 34.13 N ATOM 594 CA ALA A 38 8.679 5.426 6.815 1.00 45.41 C ATOM 595 C ALA A 38 9.916 5.317 5.929 1.00 53.42 C ATOM 596 O ALA A 38 10.275 4.228 5.480 1.00 54.55 O ATOM 597 CB ALA A 38 9.022 6.133 8.118 1.00 43.52 C ATOM 0 H ALA A 38 8.800 3.362 7.158 1.00 34.13 H new ATOM 0 HA ALA A 38 7.932 6.013 6.281 1.00 45.41 H new ATOM 0 HB1 ALA A 38 9.445 7.114 7.900 1.00 43.52 H new ATOM 0 HB2 ALA A 38 8.119 6.252 8.716 1.00 43.52 H new ATOM 0 HB3 ALA A 38 9.749 5.540 8.673 1.00 43.52 H new ATOM 603 N ILE A 39 10.562 6.451 5.681 1.00 41.51 N ATOM 604 CA ILE A 39 11.758 6.482 4.849 1.00 43.24 C ATOM 605 C ILE A 39 12.952 7.031 5.622 1.00 2.41 C ATOM 606 O ILE A 39 14.038 6.451 5.603 1.00 34.30 O ATOM 607 CB ILE A 39 11.543 7.336 3.585 1.00 60.32 C ATOM 608 CG1 ILE A 39 10.237 6.941 2.893 1.00 53.02 C ATOM 609 CG2 ILE A 39 12.720 7.180 2.634 1.00 44.31 C ATOM 610 CD1 ILE A 39 9.038 7.731 3.370 1.00 72.43 C ATOM 0 H ILE A 39 10.277 7.360 6.044 1.00 41.51 H new ATOM 0 HA ILE A 39 11.962 5.453 4.552 1.00 43.24 H new ATOM 0 HB ILE A 39 11.475 8.383 3.879 1.00 60.32 H new ATOM 0 HG12 ILE A 39 10.349 7.079 1.818 1.00 53.02 H new ATOM 0 HG13 ILE A 39 10.053 5.880 3.061 1.00 53.02 H new ATOM 0 HG21 ILE A 39 12.553 7.789 1.746 1.00 44.31 H new ATOM 0 HG22 ILE A 39 13.634 7.505 3.130 1.00 44.31 H new ATOM 0 HG23 ILE A 39 12.817 6.134 2.343 1.00 44.31 H new ATOM 0 HD11 ILE A 39 8.147 7.398 2.837 1.00 72.43 H new ATOM 0 HD12 ILE A 39 8.901 7.573 4.440 1.00 72.43 H new ATOM 0 HD13 ILE A 39 9.201 8.791 3.178 1.00 72.43 H new ATOM 622 N ASP A 40 12.744 8.153 6.303 1.00 34.21 N ATOM 623 CA ASP A 40 13.802 8.780 7.086 1.00 31.34 C ATOM 624 C ASP A 40 14.367 7.805 8.115 1.00 71.01 C ATOM 625 O ASP A 40 15.520 7.923 8.528 1.00 4.22 O ATOM 626 CB ASP A 40 13.273 10.031 7.788 1.00 11.34 C ATOM 627 CG ASP A 40 12.559 9.709 9.086 1.00 10.14 C ATOM 628 OD1 ASP A 40 11.483 9.077 9.031 1.00 11.31 O ATOM 629 OD2 ASP A 40 13.077 10.088 10.158 1.00 73.24 O ATOM 0 H ASP A 40 11.852 8.647 6.328 1.00 34.21 H new ATOM 0 HA ASP A 40 14.603 9.066 6.405 1.00 31.34 H new ATOM 0 HB2 ASP A 40 14.103 10.708 7.992 1.00 11.34 H new ATOM 0 HB3 ASP A 40 12.589 10.556 7.121 1.00 11.34 H new ATOM 634 N TRP A 41 13.547 6.844 8.524 1.00 32.11 N ATOM 635 CA TRP A 41 13.965 5.849 9.506 1.00 52.24 C ATOM 636 C TRP A 41 14.683 4.686 8.830 1.00 1.31 C ATOM 637 O TRP A 41 15.492 3.998 9.452 1.00 2.02 O ATOM 638 CB TRP A 41 12.755 5.333 10.286 1.00 11.32 C ATOM 639 CG TRP A 41 13.125 4.603 11.541 1.00 24.33 C ATOM 640 CD1 TRP A 41 13.266 5.138 12.790 1.00 33.30 C ATOM 641 CD2 TRP A 41 13.404 3.204 11.668 1.00 4.22 C ATOM 642 NE1 TRP A 41 13.615 4.156 13.686 1.00 63.15 N ATOM 643 CE2 TRP A 41 13.706 2.961 13.023 1.00 71.35 C ATOM 644 CE3 TRP A 41 13.427 2.134 10.770 1.00 31.43 C ATOM 645 CZ2 TRP A 41 14.027 1.692 13.497 1.00 74.41 C ATOM 646 CZ3 TRP A 41 13.746 0.875 11.243 1.00 73.34 C ATOM 647 CH2 TRP A 41 14.041 0.662 12.596 1.00 63.13 C ATOM 0 H TRP A 41 12.589 6.732 8.191 1.00 32.11 H new ATOM 0 HA TRP A 41 14.658 6.327 10.199 1.00 52.24 H new ATOM 0 HB2 TRP A 41 12.110 6.174 10.540 1.00 11.32 H new ATOM 0 HB3 TRP A 41 12.175 4.669 9.645 1.00 11.32 H new ATOM 0 HD1 TRP A 41 13.124 6.180 13.037 1.00 33.30 H new ATOM 0 HE1 TRP A 41 13.780 4.295 14.683 1.00 63.15 H new ATOM 0 HE3 TRP A 41 13.200 2.288 9.725 1.00 31.43 H new ATOM 0 HZ2 TRP A 41 14.257 1.526 14.539 1.00 74.41 H new ATOM 0 HZ3 TRP A 41 13.768 0.041 10.558 1.00 73.34 H new ATOM 0 HH2 TRP A 41 14.284 -0.334 12.934 1.00 63.13 H new ATOM 658 N VAL A 42 14.383 4.472 7.553 1.00 14.10 N ATOM 659 CA VAL A 42 15.001 3.393 6.793 1.00 61.42 C ATOM 660 C VAL A 42 16.397 3.783 6.320 1.00 51.20 C ATOM 661 O VAL A 42 17.343 3.003 6.432 1.00 51.34 O ATOM 662 CB VAL A 42 14.147 3.005 5.571 1.00 12.41 C ATOM 663 CG1 VAL A 42 14.823 1.900 4.775 1.00 22.42 C ATOM 664 CG2 VAL A 42 12.753 2.582 6.009 1.00 52.32 C ATOM 0 H VAL A 42 13.715 5.032 7.023 1.00 14.10 H new ATOM 0 HA VAL A 42 15.073 2.536 7.463 1.00 61.42 H new ATOM 0 HB VAL A 42 14.051 3.878 4.925 1.00 12.41 H new ATOM 0 HG11 VAL A 42 14.205 1.640 3.916 1.00 22.42 H new ATOM 0 HG12 VAL A 42 15.798 2.245 4.429 1.00 22.42 H new ATOM 0 HG13 VAL A 42 14.952 1.022 5.408 1.00 22.42 H new ATOM 0 HG21 VAL A 42 12.163 2.311 5.133 1.00 52.32 H new ATOM 0 HG22 VAL A 42 12.826 1.724 6.677 1.00 52.32 H new ATOM 0 HG23 VAL A 42 12.269 3.408 6.531 1.00 52.32 H new ATOM 674 N VAL A 43 16.519 4.997 5.791 1.00 33.33 N ATOM 675 CA VAL A 43 17.800 5.493 5.302 1.00 33.45 C ATOM 676 C VAL A 43 18.807 5.627 6.439 1.00 12.30 C ATOM 677 O VAL A 43 20.002 5.400 6.253 1.00 2.40 O ATOM 678 CB VAL A 43 17.644 6.857 4.605 1.00 61.13 C ATOM 679 CG1 VAL A 43 18.970 7.307 4.009 1.00 35.42 C ATOM 680 CG2 VAL A 43 16.565 6.787 3.534 1.00 5.42 C ATOM 0 H VAL A 43 15.746 5.655 5.690 1.00 33.33 H new ATOM 0 HA VAL A 43 18.167 4.764 4.579 1.00 33.45 H new ATOM 0 HB VAL A 43 17.339 7.593 5.349 1.00 61.13 H new ATOM 0 HG11 VAL A 43 18.840 8.273 3.521 1.00 35.42 H new ATOM 0 HG12 VAL A 43 19.713 7.398 4.801 1.00 35.42 H new ATOM 0 HG13 VAL A 43 19.308 6.573 3.277 1.00 35.42 H new ATOM 0 HG21 VAL A 43 16.468 7.759 3.051 1.00 5.42 H new ATOM 0 HG22 VAL A 43 16.839 6.039 2.790 1.00 5.42 H new ATOM 0 HG23 VAL A 43 15.615 6.513 3.992 1.00 5.42 H new ATOM 690 N SER A 44 18.315 5.998 7.617 1.00 22.21 N ATOM 691 CA SER A 44 19.173 6.166 8.784 1.00 12.24 C ATOM 692 C SER A 44 19.751 4.827 9.231 1.00 23.02 C ATOM 693 O SER A 44 20.760 4.777 9.935 1.00 65.43 O ATOM 694 CB SER A 44 18.388 6.804 9.932 1.00 31.14 C ATOM 695 OG SER A 44 18.312 8.211 9.779 1.00 63.41 O ATOM 0 H SER A 44 17.328 6.188 7.788 1.00 22.21 H new ATOM 0 HA SER A 44 19.997 6.823 8.507 1.00 12.24 H new ATOM 0 HB2 SER A 44 17.383 6.384 9.967 1.00 31.14 H new ATOM 0 HB3 SER A 44 18.867 6.564 10.881 1.00 31.14 H new ATOM 0 HG SER A 44 17.456 8.449 9.366 1.00 63.41 H new ATOM 701 N LYS A 45 19.104 3.743 8.817 1.00 25.33 N ATOM 702 CA LYS A 45 19.553 2.401 9.172 1.00 0.51 C ATOM 703 C LYS A 45 20.444 1.819 8.080 1.00 45.20 C ATOM 704 O LYS A 45 20.615 0.603 7.988 1.00 54.13 O ATOM 705 CB LYS A 45 18.350 1.485 9.406 1.00 24.55 C ATOM 706 CG LYS A 45 17.424 1.967 10.509 1.00 75.21 C ATOM 707 CD LYS A 45 17.781 1.346 11.849 1.00 11.31 C ATOM 708 CE LYS A 45 18.710 2.246 12.650 1.00 62.33 C ATOM 709 NZ LYS A 45 17.957 3.259 13.439 1.00 0.20 N ATOM 0 H LYS A 45 18.267 3.767 8.235 1.00 25.33 H new ATOM 0 HA LYS A 45 20.134 2.470 10.092 1.00 0.51 H new ATOM 0 HB2 LYS A 45 17.783 1.400 8.479 1.00 24.55 H new ATOM 0 HB3 LYS A 45 18.708 0.486 9.654 1.00 24.55 H new ATOM 0 HG2 LYS A 45 17.480 3.053 10.584 1.00 75.21 H new ATOM 0 HG3 LYS A 45 16.394 1.718 10.255 1.00 75.21 H new ATOM 0 HD2 LYS A 45 16.871 1.161 12.419 1.00 11.31 H new ATOM 0 HD3 LYS A 45 18.259 0.380 11.688 1.00 11.31 H new ATOM 0 HE2 LYS A 45 19.314 1.637 13.323 1.00 62.33 H new ATOM 0 HE3 LYS A 45 19.399 2.752 11.973 1.00 62.33 H new ATOM 0 HZ1 LYS A 45 18.626 3.852 13.971 1.00 0.20 H new ATOM 0 HZ2 LYS A 45 17.400 3.857 12.795 1.00 0.20 H new ATOM 0 HZ3 LYS A 45 17.318 2.777 14.103 1.00 0.20 H new ATOM 723 N ILE A 46 21.012 2.694 7.256 1.00 13.15 N ATOM 724 CA ILE A 46 21.888 2.266 6.173 1.00 75.11 C ATOM 725 C ILE A 46 23.330 2.688 6.433 1.00 72.45 C ATOM 726 O ILE A 46 24.268 1.944 6.145 1.00 74.52 O ATOM 727 CB ILE A 46 21.432 2.842 4.819 1.00 13.14 C ATOM 728 CG1 ILE A 46 19.982 2.446 4.534 1.00 15.32 C ATOM 729 CG2 ILE A 46 22.347 2.361 3.704 1.00 61.24 C ATOM 730 CD1 ILE A 46 19.457 2.979 3.219 1.00 63.51 C ATOM 0 H ILE A 46 20.881 3.704 7.318 1.00 13.15 H new ATOM 0 HA ILE A 46 21.832 1.178 6.133 1.00 75.11 H new ATOM 0 HB ILE A 46 21.489 3.929 4.866 1.00 13.14 H new ATOM 0 HG12 ILE A 46 19.904 1.359 4.533 1.00 15.32 H new ATOM 0 HG13 ILE A 46 19.349 2.810 5.343 1.00 15.32 H new ATOM 0 HG21 ILE A 46 22.012 2.776 2.754 1.00 61.24 H new ATOM 0 HG22 ILE A 46 23.367 2.689 3.904 1.00 61.24 H new ATOM 0 HG23 ILE A 46 22.319 1.273 3.654 1.00 61.24 H new ATOM 0 HD11 ILE A 46 18.424 2.659 3.083 1.00 63.51 H new ATOM 0 HD12 ILE A 46 19.502 4.068 3.224 1.00 63.51 H new ATOM 0 HD13 ILE A 46 20.066 2.594 2.401 1.00 63.51 H new ATOM 742 N LYS A 47 23.500 3.886 6.980 1.00 4.21 N ATOM 743 CA LYS A 47 24.828 4.408 7.283 1.00 60.35 C ATOM 744 C LYS A 47 25.521 3.553 8.339 1.00 73.10 C ATOM 745 O LYS A 47 26.747 3.553 8.443 1.00 71.52 O ATOM 746 CB LYS A 47 24.731 5.856 7.766 1.00 3.35 C ATOM 747 CG LYS A 47 23.944 6.016 9.056 1.00 63.42 C ATOM 748 CD LYS A 47 22.696 6.856 8.847 1.00 51.22 C ATOM 749 CE LYS A 47 22.290 7.577 10.123 1.00 55.42 C ATOM 750 NZ LYS A 47 21.879 8.984 9.858 1.00 1.22 N ATOM 0 H LYS A 47 22.735 4.515 7.223 1.00 4.21 H new ATOM 0 HA LYS A 47 25.421 4.376 6.369 1.00 60.35 H new ATOM 0 HB2 LYS A 47 25.737 6.249 7.913 1.00 3.35 H new ATOM 0 HB3 LYS A 47 24.263 6.459 6.988 1.00 3.35 H new ATOM 0 HG2 LYS A 47 23.663 5.034 9.436 1.00 63.42 H new ATOM 0 HG3 LYS A 47 24.575 6.482 9.813 1.00 63.42 H new ATOM 0 HD2 LYS A 47 22.875 7.585 8.057 1.00 51.22 H new ATOM 0 HD3 LYS A 47 21.878 6.218 8.512 1.00 51.22 H new ATOM 0 HE2 LYS A 47 21.467 7.041 10.597 1.00 55.42 H new ATOM 0 HE3 LYS A 47 23.123 7.568 10.826 1.00 55.42 H new ATOM 0 HZ1 LYS A 47 21.610 9.441 10.752 1.00 1.22 H new ATOM 0 HZ2 LYS A 47 22.672 9.502 9.429 1.00 1.22 H new ATOM 0 HZ3 LYS A 47 21.068 8.992 9.207 1.00 1.22 H new ATOM 764 N GLN A 48 24.727 2.826 9.119 1.00 62.32 N ATOM 765 CA GLN A 48 25.266 1.966 10.166 1.00 14.13 C ATOM 766 C GLN A 48 25.631 0.594 9.610 1.00 21.11 C ATOM 767 O GLN A 48 26.469 -0.112 10.173 1.00 14.33 O ATOM 768 CB GLN A 48 24.253 1.816 11.303 1.00 72.33 C ATOM 769 CG GLN A 48 22.931 1.208 10.863 1.00 72.42 C ATOM 770 CD GLN A 48 22.156 0.600 12.015 1.00 13.03 C ATOM 771 OE1 GLN A 48 21.936 -0.611 12.061 1.00 54.41 O ATOM 772 NE2 GLN A 48 21.737 1.439 12.955 1.00 11.42 N ATOM 0 H GLN A 48 23.710 2.815 9.046 1.00 62.32 H new ATOM 0 HA GLN A 48 26.171 2.432 10.554 1.00 14.13 H new ATOM 0 HB2 GLN A 48 24.687 1.194 12.086 1.00 72.33 H new ATOM 0 HB3 GLN A 48 24.065 2.796 11.742 1.00 72.33 H new ATOM 0 HG2 GLN A 48 22.323 1.977 10.387 1.00 72.42 H new ATOM 0 HG3 GLN A 48 23.120 0.441 10.112 1.00 72.42 H new ATOM 0 HE21 GLN A 48 21.941 2.435 12.877 1.00 11.42 H new ATOM 0 HE22 GLN A 48 21.211 1.087 13.755 1.00 11.42 H new ATOM 781 N ILE A 49 24.998 0.222 8.503 1.00 50.13 N ATOM 782 CA ILE A 49 25.258 -1.065 7.871 1.00 75.44 C ATOM 783 C ILE A 49 26.437 -0.977 6.908 1.00 75.25 C ATOM 784 O ILE A 49 27.502 -1.541 7.160 1.00 61.32 O ATOM 785 CB ILE A 49 24.022 -1.577 7.106 1.00 0.34 C ATOM 786 CG1 ILE A 49 22.777 -1.493 7.992 1.00 51.13 C ATOM 787 CG2 ILE A 49 24.246 -3.005 6.632 1.00 1.21 C ATOM 788 CD1 ILE A 49 22.868 -2.337 9.244 1.00 74.25 C ATOM 0 H ILE A 49 24.301 0.794 8.025 1.00 50.13 H new ATOM 0 HA ILE A 49 25.497 -1.766 8.671 1.00 75.44 H new ATOM 0 HB ILE A 49 23.867 -0.945 6.231 1.00 0.34 H new ATOM 0 HG12 ILE A 49 22.612 -0.453 8.276 1.00 51.13 H new ATOM 0 HG13 ILE A 49 21.908 -1.807 7.414 1.00 51.13 H new ATOM 0 HG21 ILE A 49 23.364 -3.352 6.094 1.00 1.21 H new ATOM 0 HG22 ILE A 49 25.111 -3.037 5.970 1.00 1.21 H new ATOM 0 HG23 ILE A 49 24.423 -3.650 7.492 1.00 1.21 H new ATOM 0 HD11 ILE A 49 21.951 -2.229 9.823 1.00 74.25 H new ATOM 0 HD12 ILE A 49 23.002 -3.383 8.969 1.00 74.25 H new ATOM 0 HD13 ILE A 49 23.717 -2.008 9.843 1.00 74.25 H new ATOM 800 N LEU A 50 26.240 -0.265 5.804 1.00 55.32 N ATOM 801 CA LEU A 50 27.287 -0.100 4.802 1.00 23.12 C ATOM 802 C LEU A 50 28.282 0.976 5.226 1.00 32.13 C ATOM 803 O LEU A 50 29.471 0.707 5.389 1.00 21.23 O ATOM 804 CB LEU A 50 26.674 0.262 3.448 1.00 32.54 C ATOM 805 CG LEU A 50 25.494 -0.599 2.995 1.00 50.01 C ATOM 806 CD1 LEU A 50 24.762 0.066 1.839 1.00 33.54 C ATOM 807 CD2 LEU A 50 25.969 -1.989 2.599 1.00 61.25 C ATOM 0 H LEU A 50 25.364 0.208 5.580 1.00 55.32 H new ATOM 0 HA LEU A 50 27.820 -1.047 4.711 1.00 23.12 H new ATOM 0 HB2 LEU A 50 26.347 1.301 3.486 1.00 32.54 H new ATOM 0 HB3 LEU A 50 27.455 0.201 2.690 1.00 32.54 H new ATOM 0 HG LEU A 50 24.800 -0.699 3.829 1.00 50.01 H new ATOM 0 HD11 LEU A 50 23.925 -0.560 1.530 1.00 33.54 H new ATOM 0 HD12 LEU A 50 24.388 1.039 2.157 1.00 33.54 H new ATOM 0 HD13 LEU A 50 25.447 0.196 1.001 1.00 33.54 H new ATOM 0 HD21 LEU A 50 25.116 -2.588 2.279 1.00 61.25 H new ATOM 0 HD22 LEU A 50 26.684 -1.910 1.780 1.00 61.25 H new ATOM 0 HD23 LEU A 50 26.448 -2.467 3.454 1.00 61.25 H new ATOM 819 N GLY A 51 27.785 2.196 5.406 1.00 42.34 N ATOM 820 CA GLY A 51 28.643 3.294 5.811 1.00 2.14 C ATOM 821 C GLY A 51 28.772 4.357 4.738 1.00 62.50 C ATOM 822 O GLY A 51 29.835 4.514 4.136 1.00 11.44 O ATOM 0 H GLY A 51 26.804 2.443 5.279 1.00 42.34 H new ATOM 0 HA2 GLY A 51 28.245 3.746 6.719 1.00 2.14 H new ATOM 0 HA3 GLY A 51 29.632 2.907 6.055 1.00 2.14 H new ATOM 826 N ILE A 52 27.688 5.085 4.496 1.00 51.31 N ATOM 827 CA ILE A 52 27.685 6.137 3.487 1.00 12.51 C ATOM 828 C ILE A 52 27.680 7.519 4.133 1.00 20.34 C ATOM 829 O ILE A 52 27.015 7.741 5.146 1.00 63.34 O ATOM 830 CB ILE A 52 26.468 6.017 2.551 1.00 34.43 C ATOM 831 CG1 ILE A 52 26.612 6.973 1.365 1.00 34.35 C ATOM 832 CG2 ILE A 52 25.183 6.301 3.315 1.00 75.44 C ATOM 833 CD1 ILE A 52 26.450 6.297 0.022 1.00 44.23 C ATOM 0 H ILE A 52 26.801 4.966 4.984 1.00 51.31 H new ATOM 0 HA ILE A 52 28.597 6.015 2.902 1.00 12.51 H new ATOM 0 HB ILE A 52 26.422 4.998 2.167 1.00 34.43 H new ATOM 0 HG12 ILE A 52 25.870 7.766 1.456 1.00 34.35 H new ATOM 0 HG13 ILE A 52 27.592 7.448 1.408 1.00 34.35 H new ATOM 0 HG21 ILE A 52 24.331 6.212 2.640 1.00 75.44 H new ATOM 0 HG22 ILE A 52 25.077 5.584 4.129 1.00 75.44 H new ATOM 0 HG23 ILE A 52 25.218 7.311 3.724 1.00 75.44 H new ATOM 0 HD11 ILE A 52 26.564 7.034 -0.773 1.00 44.23 H new ATOM 0 HD12 ILE A 52 27.209 5.523 -0.089 1.00 44.23 H new ATOM 0 HD13 ILE A 52 25.460 5.846 -0.041 1.00 44.23 H new ATOM 845 N LYS A 53 28.425 8.446 3.541 1.00 72.34 N ATOM 846 CA LYS A 53 28.505 9.808 4.055 1.00 21.53 C ATOM 847 C LYS A 53 27.235 10.587 3.732 1.00 14.21 C ATOM 848 O LYS A 53 26.819 11.460 4.495 1.00 44.12 O ATOM 849 CB LYS A 53 29.721 10.526 3.466 1.00 0.43 C ATOM 850 CG LYS A 53 31.035 9.808 3.721 1.00 12.13 C ATOM 851 CD LYS A 53 32.226 10.707 3.436 1.00 23.02 C ATOM 852 CE LYS A 53 33.459 9.897 3.063 1.00 13.34 C ATOM 853 NZ LYS A 53 34.081 9.254 4.254 1.00 74.23 N ATOM 0 H LYS A 53 28.983 8.279 2.704 1.00 72.34 H new ATOM 0 HA LYS A 53 28.611 9.755 5.139 1.00 21.53 H new ATOM 0 HB2 LYS A 53 29.581 10.638 2.391 1.00 0.43 H new ATOM 0 HB3 LYS A 53 29.778 11.530 3.886 1.00 0.43 H new ATOM 0 HG2 LYS A 53 31.072 9.472 4.757 1.00 12.13 H new ATOM 0 HG3 LYS A 53 31.092 8.918 3.095 1.00 12.13 H new ATOM 0 HD2 LYS A 53 31.980 11.392 2.625 1.00 23.02 H new ATOM 0 HD3 LYS A 53 32.441 11.317 4.314 1.00 23.02 H new ATOM 0 HE2 LYS A 53 33.185 9.131 2.338 1.00 13.34 H new ATOM 0 HE3 LYS A 53 34.188 10.547 2.579 1.00 13.34 H new ATOM 0 HZ1 LYS A 53 34.918 8.712 3.958 1.00 74.23 H new ATOM 0 HZ2 LYS A 53 34.366 9.987 4.935 1.00 74.23 H new ATOM 0 HZ3 LYS A 53 33.394 8.614 4.702 1.00 74.23 H new TER 867 LYS A 53