USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 11 ASN :FLIP amide:sc= -1.98 F(o=-7.1,f=-5.3) USER MOD Set 1.2: A 12 ASN :FLIP amide:sc= -3.34! C(o=-8.2!,f=-5.3!) USER MOD Set 1.3: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 72:sc= -0.196 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -8.03! C(o=-8!,f=-9.3!) USER MOD Single : A 9 TYR OH : rot 180:sc= -1.88! USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -0.28 (180deg=-1.07) USER MOD Single : A 18 ASN : amide:sc= -2.14! C(o=-2.1!,f=-2.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0705 K(o=-0.07,f=-0.69) USER MOD Single : A 25 SER OG : rot 39:sc= 0.0153 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.786 7.955 21.897 1.00 0.00 N ATOM 2 CA ALA A 1 -15.554 7.890 20.465 1.00 0.00 C ATOM 3 C ALA A 1 -14.281 7.084 20.193 1.00 0.00 C ATOM 4 O ALA A 1 -13.196 7.468 20.626 1.00 0.00 O ATOM 5 CB ALA A 1 -15.478 9.308 19.895 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.650 8.502 22.084 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.897 6.992 22.275 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.977 8.417 22.359 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.379 7.381 19.966 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.304 9.259 18.820 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.416 9.828 20.087 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.660 9.848 20.371 1.00 0.00 H new ATOM 11 N ARG A 2 -14.458 5.983 19.479 1.00 0.00 N ATOM 12 CA ARG A 2 -13.336 5.120 19.146 1.00 0.00 C ATOM 13 C ARG A 2 -12.540 5.712 17.981 1.00 0.00 C ATOM 14 O ARG A 2 -13.033 6.581 17.265 1.00 0.00 O ATOM 15 CB ARG A 2 -13.816 3.717 18.766 1.00 0.00 C ATOM 16 CG ARG A 2 -13.707 2.760 19.955 1.00 0.00 C ATOM 17 CD ARG A 2 -14.862 2.971 20.935 1.00 0.00 C ATOM 18 NE ARG A 2 -16.000 2.098 20.571 1.00 0.00 N ATOM 19 CZ ARG A 2 -17.071 1.895 21.351 1.00 0.00 C ATOM 20 NH1 ARG A 2 -17.156 2.502 22.543 1.00 0.00 N ATOM 21 NH2 ARG A 2 -18.056 1.086 20.938 1.00 0.00 N ATOM 0 H ARG A 2 -15.360 5.668 19.122 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.698 5.048 20.027 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -14.850 3.763 18.425 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.222 3.338 17.934 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.711 1.730 19.599 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.758 2.917 20.467 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.533 2.750 21.950 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.175 4.015 20.922 1.00 0.00 H new ATOM 0 HE ARG A 2 -15.967 1.621 19.670 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.406 3.118 22.856 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -17.971 2.348 23.137 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -17.991 0.625 20.030 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.871 0.931 21.531 1.00 0.00 H new ATOM 32 N SER A 3 -11.320 5.216 17.829 1.00 0.00 N ATOM 33 CA SER A 3 -10.449 5.685 16.764 1.00 0.00 C ATOM 34 C SER A 3 -9.009 5.250 17.037 1.00 0.00 C ATOM 35 O SER A 3 -8.306 4.812 16.127 1.00 0.00 O ATOM 36 CB SER A 3 -10.526 7.207 16.620 1.00 0.00 C ATOM 37 OG SER A 3 -11.123 7.597 15.386 1.00 0.00 O ATOM 0 H SER A 3 -10.915 4.495 18.425 1.00 0.00 H new ATOM 0 HA SER A 3 -10.784 5.241 15.827 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.102 7.621 17.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.523 7.629 16.687 1.00 0.00 H new ATOM 0 HG SER A 3 -12.084 7.406 15.413 1.00 0.00 H new ATOM 42 N TYR A 4 -8.611 5.384 18.294 1.00 0.00 N ATOM 43 CA TYR A 4 -7.266 5.010 18.697 1.00 0.00 C ATOM 44 C TYR A 4 -6.248 5.372 17.614 1.00 0.00 C ATOM 45 O TYR A 4 -5.228 4.701 17.466 1.00 0.00 O ATOM 46 CB TYR A 4 -7.287 3.491 18.873 1.00 0.00 C ATOM 47 CG TYR A 4 -7.932 3.024 20.180 1.00 0.00 C ATOM 48 CD1 TYR A 4 -9.305 2.913 20.269 1.00 0.00 C ATOM 49 CD2 TYR A 4 -7.142 2.715 21.268 1.00 0.00 C ATOM 50 CE1 TYR A 4 -9.914 2.475 21.498 1.00 0.00 C ATOM 51 CE2 TYR A 4 -7.751 2.277 22.498 1.00 0.00 C ATOM 52 CZ TYR A 4 -9.106 2.178 22.552 1.00 0.00 C ATOM 53 OH TYR A 4 -9.680 1.764 23.714 1.00 0.00 O ATOM 0 H TYR A 4 -9.197 5.746 19.047 1.00 0.00 H new ATOM 0 HA TYR A 4 -6.979 5.533 19.609 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.824 3.046 18.036 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.264 3.117 18.831 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.923 3.155 19.417 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.068 2.801 21.198 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.987 2.384 21.581 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.145 2.033 23.358 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.982 1.587 24.379 1.00 0.00 H new ATOM 62 N GLY A 5 -6.560 6.433 16.883 1.00 0.00 N ATOM 63 CA GLY A 5 -5.686 6.891 15.818 1.00 0.00 C ATOM 64 C GLY A 5 -5.819 6.006 14.578 1.00 0.00 C ATOM 65 O GLY A 5 -5.988 4.793 14.692 1.00 0.00 O ATOM 0 H GLY A 5 -7.407 6.988 17.008 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.930 7.922 15.561 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.652 6.885 16.164 1.00 0.00 H new ATOM 69 N ASN A 6 -5.740 6.647 13.420 1.00 0.00 N ATOM 70 CA ASN A 6 -5.851 5.932 12.160 1.00 0.00 C ATOM 71 C ASN A 6 -7.308 5.520 11.939 1.00 0.00 C ATOM 72 O ASN A 6 -7.964 6.015 11.024 1.00 0.00 O ATOM 73 CB ASN A 6 -4.997 4.663 12.170 1.00 0.00 C ATOM 74 CG ASN A 6 -4.536 4.301 10.756 1.00 0.00 C ATOM 75 OD1 ASN A 6 -4.806 3.228 10.244 1.00 0.00 O ATOM 76 ND2 ASN A 6 -3.828 5.255 10.158 1.00 0.00 N ATOM 0 H ASN A 6 -5.601 7.653 13.329 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.505 6.593 11.365 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.129 4.809 12.813 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.571 3.838 12.592 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.475 5.111 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.638 6.131 10.645 1.00 0.00 H new ATOM 82 N GLY A 7 -7.771 4.619 12.793 1.00 0.00 N ATOM 83 CA GLY A 7 -9.138 4.136 12.702 1.00 0.00 C ATOM 84 C GLY A 7 -9.256 2.718 13.266 1.00 0.00 C ATOM 85 O GLY A 7 -8.789 1.760 12.652 1.00 0.00 O ATOM 0 H GLY A 7 -7.224 4.211 13.551 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.801 4.806 13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.463 4.146 11.662 1.00 0.00 H new ATOM 89 N VAL A 8 -9.883 2.628 14.430 1.00 0.00 N ATOM 90 CA VAL A 8 -10.069 1.345 15.083 1.00 0.00 C ATOM 91 C VAL A 8 -11.446 0.785 14.718 1.00 0.00 C ATOM 92 O VAL A 8 -11.586 -0.410 14.462 1.00 0.00 O ATOM 93 CB VAL A 8 -9.864 1.491 16.593 1.00 0.00 C ATOM 94 CG1 VAL A 8 -11.183 1.821 17.295 1.00 0.00 C ATOM 95 CG2 VAL A 8 -9.228 0.232 17.184 1.00 0.00 C ATOM 0 H VAL A 8 -10.269 3.424 14.937 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.325 0.629 14.735 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.178 2.322 16.760 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.010 1.920 18.367 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.579 2.758 16.904 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.901 1.021 17.115 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.093 0.362 18.258 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.877 -0.624 17.001 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.259 0.059 16.715 1.00 0.00 H new ATOM 105 N TYR A 9 -12.426 1.676 14.706 1.00 0.00 N ATOM 106 CA TYR A 9 -13.787 1.287 14.376 1.00 0.00 C ATOM 107 C TYR A 9 -13.801 0.214 13.285 1.00 0.00 C ATOM 108 O TYR A 9 -14.531 -0.771 13.386 1.00 0.00 O ATOM 109 CB TYR A 9 -14.470 2.548 13.843 1.00 0.00 C ATOM 110 CG TYR A 9 -13.523 3.511 13.124 1.00 0.00 C ATOM 111 CD1 TYR A 9 -13.248 3.334 11.783 1.00 0.00 C ATOM 112 CD2 TYR A 9 -12.944 4.556 13.815 1.00 0.00 C ATOM 113 CE1 TYR A 9 -12.357 4.240 11.106 1.00 0.00 C ATOM 114 CE2 TYR A 9 -12.054 5.462 13.138 1.00 0.00 C ATOM 115 CZ TYR A 9 -11.804 5.260 11.817 1.00 0.00 C ATOM 116 OH TYR A 9 -10.963 6.116 11.176 1.00 0.00 O ATOM 0 H TYR A 9 -12.305 2.666 14.919 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.291 0.877 15.251 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.265 2.256 13.157 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.943 3.072 14.674 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.701 2.516 11.242 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.159 4.694 14.864 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.133 4.113 10.057 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.595 6.284 13.667 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.644 6.795 11.807 1.00 0.00 H new ATOM 125 N CYS A 10 -12.985 0.442 12.265 1.00 0.00 N ATOM 126 CA CYS A 10 -12.895 -0.493 11.156 1.00 0.00 C ATOM 127 C CYS A 10 -14.287 -0.642 10.540 1.00 0.00 C ATOM 128 O CYS A 10 -15.288 -0.298 11.166 1.00 0.00 O ATOM 129 CB CYS A 10 -12.317 -1.839 11.596 1.00 0.00 C ATOM 130 SG CYS A 10 -12.305 -3.130 10.299 1.00 0.00 S ATOM 0 H CYS A 10 -12.381 1.260 12.184 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.206 -0.106 10.405 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.296 -1.684 11.944 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -12.891 -2.204 12.447 1.00 0.00 H new ATOM 134 N ASN A 11 -14.306 -1.157 9.319 1.00 0.00 N ATOM 135 CA ASN A 11 -15.559 -1.358 8.611 1.00 0.00 C ATOM 136 C ASN A 11 -15.911 -2.846 8.616 1.00 0.00 C ATOM 137 O ASN A 11 -16.723 -3.293 9.425 1.00 0.00 O ATOM 138 CB ASN A 11 -15.447 -0.903 7.155 1.00 0.00 C ATOM 139 CG ASN A 11 -16.637 -1.403 6.331 1.00 0.00 C ATOM 140 OD1 ASN A 11 -16.328 -2.358 5.459 1.00 0.00 O flip ATOM 141 ND2 ASN A 11 -17.760 -0.951 6.479 1.00 0.00 N flip ATOM 0 H ASN A 11 -13.474 -1.441 8.802 1.00 0.00 H new ATOM 0 HA ASN A 11 -16.328 -0.772 9.114 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.402 0.185 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.519 -1.277 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.928 -0.217 7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.531 -1.307 5.914 1.00 0.00 H new ATOM 147 N ASN A 12 -15.283 -3.573 7.704 1.00 0.00 N ATOM 148 CA ASN A 12 -15.520 -5.003 7.594 1.00 0.00 C ATOM 149 C ASN A 12 -14.442 -5.626 6.704 1.00 0.00 C ATOM 150 O ASN A 12 -13.506 -6.250 7.200 1.00 0.00 O ATOM 151 CB ASN A 12 -16.882 -5.288 6.958 1.00 0.00 C ATOM 152 CG ASN A 12 -18.018 -4.984 7.936 1.00 0.00 C ATOM 153 OD1 ASN A 12 -18.551 -3.774 7.786 1.00 0.00 O flip ATOM 154 ND2 ASN A 12 -18.385 -5.793 8.773 1.00 0.00 N flip ATOM 0 H ASN A 12 -14.610 -3.199 7.034 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.495 -5.428 8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.001 -4.684 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.932 -6.332 6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.932 -6.705 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.145 -5.557 9.412 1.00 0.00 H new ATOM 160 N LYS A 13 -14.612 -5.437 5.404 1.00 0.00 N ATOM 161 CA LYS A 13 -13.666 -5.973 4.440 1.00 0.00 C ATOM 162 C LYS A 13 -12.631 -4.900 4.097 1.00 0.00 C ATOM 163 O LYS A 13 -11.461 -5.210 3.871 1.00 0.00 O ATOM 164 CB LYS A 13 -14.402 -6.528 3.219 1.00 0.00 C ATOM 165 CG LYS A 13 -15.069 -5.406 2.422 1.00 0.00 C ATOM 166 CD LYS A 13 -14.150 -4.903 1.307 1.00 0.00 C ATOM 167 CE LYS A 13 -14.951 -4.554 0.052 1.00 0.00 C ATOM 168 NZ LYS A 13 -15.970 -3.524 0.358 1.00 0.00 N ATOM 0 H LYS A 13 -15.391 -4.920 4.995 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.123 -6.816 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.700 -7.065 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.155 -7.248 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.004 -5.766 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.322 -4.582 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.604 -4.024 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.409 -5.666 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.280 -4.190 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.436 -5.449 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.876 -3.792 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.090 -3.450 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.661 -2.606 -0.022 1.00 0.00 H new ATOM 178 N LYS A 14 -13.096 -3.659 4.070 1.00 0.00 N ATOM 179 CA LYS A 14 -12.225 -2.539 3.759 1.00 0.00 C ATOM 180 C LYS A 14 -11.254 -2.316 4.919 1.00 0.00 C ATOM 181 O LYS A 14 -10.038 -2.338 4.729 1.00 0.00 O ATOM 182 CB LYS A 14 -13.051 -1.302 3.402 1.00 0.00 C ATOM 183 CG LYS A 14 -14.107 -1.633 2.345 1.00 0.00 C ATOM 184 CD LYS A 14 -15.011 -0.428 2.076 1.00 0.00 C ATOM 185 CE LYS A 14 -15.911 -0.139 3.280 1.00 0.00 C ATOM 186 NZ LYS A 14 -17.292 -0.602 3.017 1.00 0.00 N ATOM 0 H LYS A 14 -14.066 -3.405 4.259 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.623 -2.758 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.537 -0.914 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.393 -0.516 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.618 -1.938 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.710 -2.477 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.400 0.447 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.625 -0.619 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.516 -0.638 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.914 0.930 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.890 -0.399 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.672 -0.107 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.286 -1.626 2.838 1.00 0.00 H new ATOM 196 N CYS A 15 -11.826 -2.109 6.096 1.00 0.00 N ATOM 197 CA CYS A 15 -11.026 -1.881 7.287 1.00 0.00 C ATOM 198 C CYS A 15 -9.940 -0.859 6.950 1.00 0.00 C ATOM 199 O CYS A 15 -8.877 -0.848 7.569 1.00 0.00 O ATOM 200 CB CYS A 15 -10.433 -3.185 7.828 1.00 0.00 C ATOM 201 SG CYS A 15 -10.423 -3.326 9.652 1.00 0.00 S ATOM 0 H CYS A 15 -12.834 -2.094 6.250 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.659 -1.487 8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.997 -4.022 7.416 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.410 -3.280 7.465 1.00 0.00 H new ATOM 205 N TRP A 16 -10.244 -0.023 5.968 1.00 0.00 N ATOM 206 CA TRP A 16 -9.308 1.002 5.540 1.00 0.00 C ATOM 207 C TRP A 16 -8.068 0.305 4.979 1.00 0.00 C ATOM 208 O TRP A 16 -7.095 0.084 5.698 1.00 0.00 O ATOM 209 CB TRP A 16 -8.985 1.963 6.687 1.00 0.00 C ATOM 210 CG TRP A 16 -10.043 3.046 6.906 1.00 0.00 C ATOM 211 CD1 TRP A 16 -9.964 4.350 6.608 1.00 0.00 C ATOM 212 CD2 TRP A 16 -11.351 2.865 7.489 1.00 0.00 C ATOM 213 NE1 TRP A 16 -11.119 5.020 6.953 1.00 0.00 N ATOM 214 CE2 TRP A 16 -11.991 4.088 7.507 1.00 0.00 C ATOM 215 CE3 TRP A 16 -11.973 1.706 7.985 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -13.284 4.270 8.009 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -13.266 1.904 8.483 1.00 0.00 C ATOM 218 CH2 TRP A 16 -13.923 3.128 8.509 1.00 0.00 C ATOM 0 H TRP A 16 -11.126 -0.035 5.456 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.745 1.620 4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.871 1.390 7.607 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -8.026 2.441 6.488 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.103 4.818 6.154 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -11.301 6.016 6.825 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -11.491 0.739 7.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -13.763 5.238 8.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -13.790 1.045 8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -14.922 3.199 8.913 1.00 0.00 H new ATOM 228 N VAL A 17 -8.142 -0.023 3.697 1.00 0.00 N ATOM 229 CA VAL A 17 -7.037 -0.691 3.030 1.00 0.00 C ATOM 230 C VAL A 17 -5.717 -0.079 3.501 1.00 0.00 C ATOM 231 O VAL A 17 -4.857 -0.780 4.032 1.00 0.00 O ATOM 232 CB VAL A 17 -7.221 -0.620 1.513 1.00 0.00 C ATOM 233 CG1 VAL A 17 -8.328 -1.568 1.049 1.00 0.00 C ATOM 234 CG2 VAL A 17 -7.505 0.815 1.062 1.00 0.00 C ATOM 0 H VAL A 17 -8.950 0.161 3.103 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.017 -1.749 3.292 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.289 -0.940 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.438 -1.497 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.069 -2.591 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.268 -1.292 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.632 0.838 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.416 1.174 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.670 1.457 1.343 1.00 0.00 H new ATOM 244 N ASN A 18 -5.597 1.224 3.291 1.00 0.00 N ATOM 245 CA ASN A 18 -4.396 1.939 3.687 1.00 0.00 C ATOM 246 C ASN A 18 -4.784 3.314 4.236 1.00 0.00 C ATOM 247 O ASN A 18 -5.462 4.087 3.561 1.00 0.00 O ATOM 248 CB ASN A 18 -3.462 2.153 2.494 1.00 0.00 C ATOM 249 CG ASN A 18 -2.157 1.374 2.672 1.00 0.00 C ATOM 250 OD1 ASN A 18 -2.145 0.204 3.021 1.00 0.00 O ATOM 251 ND2 ASN A 18 -1.063 2.085 2.415 1.00 0.00 N ATOM 0 H ASN A 18 -6.312 1.803 2.851 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.884 1.344 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.958 1.834 1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.243 3.215 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.142 1.655 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.144 3.060 2.127 1.00 0.00 H new ATOM 257 N ARG A 19 -4.336 3.577 5.455 1.00 0.00 N ATOM 258 CA ARG A 19 -4.628 4.845 6.102 1.00 0.00 C ATOM 259 C ARG A 19 -3.368 5.712 6.163 1.00 0.00 C ATOM 260 O ARG A 19 -3.383 6.866 5.739 1.00 0.00 O ATOM 261 CB ARG A 19 -5.160 4.630 7.520 1.00 0.00 C ATOM 262 CG ARG A 19 -6.584 4.070 7.491 1.00 0.00 C ATOM 263 CD ARG A 19 -7.487 4.818 8.475 1.00 0.00 C ATOM 264 NE ARG A 19 -7.517 6.260 8.139 1.00 0.00 N ATOM 265 CZ ARG A 19 -8.509 7.091 8.484 1.00 0.00 C ATOM 266 NH1 ARG A 19 -9.559 6.630 9.175 1.00 0.00 N ATOM 267 NH2 ARG A 19 -8.451 8.384 8.135 1.00 0.00 N ATOM 0 H ARG A 19 -3.773 2.934 6.012 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.393 5.350 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.506 3.943 8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.147 5.574 8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.991 4.153 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.567 3.009 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.496 4.407 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.122 4.681 9.493 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.733 6.644 7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.604 5.646 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.314 7.263 9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.652 8.734 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.206 9.017 8.397 1.00 0.00 H new ATOM 278 N GLY A 20 -2.308 5.122 6.695 1.00 0.00 N ATOM 279 CA GLY A 20 -1.042 5.826 6.817 1.00 0.00 C ATOM 280 C GLY A 20 0.063 4.886 7.303 1.00 0.00 C ATOM 281 O GLY A 20 0.224 3.787 6.776 1.00 0.00 O ATOM 0 H GLY A 20 -2.299 4.165 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.764 6.252 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.150 6.657 7.514 1.00 0.00 H new ATOM 285 N GLU A 21 0.795 5.353 8.304 1.00 0.00 N ATOM 286 CA GLU A 21 1.881 4.569 8.868 1.00 0.00 C ATOM 287 C GLU A 21 1.323 3.426 9.719 1.00 0.00 C ATOM 288 O GLU A 21 2.052 2.504 10.079 1.00 0.00 O ATOM 289 CB GLU A 21 2.828 5.450 9.684 1.00 0.00 C ATOM 290 CG GLU A 21 2.052 6.301 10.692 1.00 0.00 C ATOM 291 CD GLU A 21 2.252 7.793 10.417 1.00 0.00 C ATOM 292 OE1 GLU A 21 3.396 8.271 10.389 1.00 0.00 O ATOM 293 OE2 GLU A 21 1.165 8.463 10.226 1.00 0.00 O ATOM 0 H GLU A 21 0.657 6.265 8.739 1.00 0.00 H new ATOM 0 HA GLU A 21 2.456 4.138 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.550 4.825 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.395 6.098 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.991 6.057 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.383 6.066 11.703 1.00 0.00 H new ATOM 299 N ALA A 22 0.035 3.525 10.015 1.00 0.00 N ATOM 300 CA ALA A 22 -0.628 2.512 10.819 1.00 0.00 C ATOM 301 C ALA A 22 -0.454 1.146 10.151 1.00 0.00 C ATOM 302 O ALA A 22 -0.025 0.188 10.793 1.00 0.00 O ATOM 303 CB ALA A 22 -2.099 2.889 11.002 1.00 0.00 C ATOM 0 H ALA A 22 -0.567 4.291 9.713 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.181 2.454 11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.597 2.130 11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.168 3.854 11.505 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.582 2.953 10.027 1.00 0.00 H new ATOM 309 N THR A 23 -0.798 1.099 8.872 1.00 0.00 N ATOM 310 CA THR A 23 -0.686 -0.134 8.112 1.00 0.00 C ATOM 311 C THR A 23 0.783 -0.444 7.814 1.00 0.00 C ATOM 312 O THR A 23 1.193 -1.603 7.839 1.00 0.00 O ATOM 313 CB THR A 23 -1.546 0.006 6.855 1.00 0.00 C ATOM 314 OG1 THR A 23 -1.322 -1.208 6.144 1.00 0.00 O ATOM 315 CG2 THR A 23 -1.026 1.091 5.909 1.00 0.00 C ATOM 0 H THR A 23 -1.154 1.895 8.343 1.00 0.00 H new ATOM 0 HA THR A 23 -1.056 -0.986 8.682 1.00 0.00 H new ATOM 0 HB THR A 23 -2.573 0.234 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.844 -1.202 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.672 1.150 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.024 2.052 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.011 0.845 5.596 1.00 0.00 H new ATOM 323 N GLN A 24 1.533 0.612 7.537 1.00 0.00 N ATOM 324 CA GLN A 24 2.946 0.467 7.233 1.00 0.00 C ATOM 325 C GLN A 24 3.620 -0.445 8.262 1.00 0.00 C ATOM 326 O GLN A 24 4.218 -1.458 7.902 1.00 0.00 O ATOM 327 CB GLN A 24 3.637 1.830 7.174 1.00 0.00 C ATOM 328 CG GLN A 24 3.219 2.603 5.922 1.00 0.00 C ATOM 329 CD GLN A 24 4.422 3.296 5.278 1.00 0.00 C ATOM 330 OE1 GLN A 24 5.409 3.607 5.922 1.00 0.00 O ATOM 331 NE2 GLN A 24 4.283 3.519 3.974 1.00 0.00 N ATOM 0 H GLN A 24 1.189 1.572 7.517 1.00 0.00 H new ATOM 0 HA GLN A 24 3.040 0.006 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.386 2.408 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.718 1.694 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.761 1.921 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.464 3.345 6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.429 3.232 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.031 3.977 3.452 1.00 0.00 H new ATOM 338 N SER A 25 3.499 -0.053 9.522 1.00 0.00 N ATOM 339 CA SER A 25 4.088 -0.821 10.605 1.00 0.00 C ATOM 340 C SER A 25 2.993 -1.555 11.381 1.00 0.00 C ATOM 341 O SER A 25 1.997 -0.953 11.777 1.00 0.00 O ATOM 342 CB SER A 25 4.892 0.078 11.545 1.00 0.00 C ATOM 343 OG SER A 25 4.160 1.239 11.930 1.00 0.00 O ATOM 0 H SER A 25 3.001 0.787 9.817 1.00 0.00 H new ATOM 0 HA SER A 25 4.772 -1.552 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.171 -0.486 12.435 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.818 0.379 11.055 1.00 0.00 H new ATOM 0 HG SER A 25 3.221 1.000 12.076 1.00 0.00 H new ATOM 348 N ILE A 26 3.215 -2.848 11.574 1.00 0.00 N ATOM 349 CA ILE A 26 2.259 -3.671 12.296 1.00 0.00 C ATOM 350 C ILE A 26 2.267 -3.278 13.774 1.00 0.00 C ATOM 351 O ILE A 26 1.221 -3.257 14.421 1.00 0.00 O ATOM 352 CB ILE A 26 2.540 -5.155 12.052 1.00 0.00 C ATOM 353 CG1 ILE A 26 3.989 -5.504 12.399 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.181 -5.553 10.619 1.00 0.00 C ATOM 355 CD1 ILE A 26 4.052 -6.476 13.579 1.00 0.00 C ATOM 0 H ILE A 26 4.042 -3.345 11.243 1.00 0.00 H new ATOM 0 HA ILE A 26 1.249 -3.496 11.926 1.00 0.00 H new ATOM 0 HB ILE A 26 1.902 -5.737 12.717 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.478 -5.948 11.531 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.537 -4.594 12.643 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.390 -6.613 10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.122 -5.365 10.444 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.775 -4.966 9.919 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.093 -6.707 13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.584 -6.020 14.452 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.524 -7.394 13.323 1.00 0.00 H new ATOM 366 N ILE A 27 3.460 -2.976 14.266 1.00 0.00 N ATOM 367 CA ILE A 27 3.618 -2.584 15.657 1.00 0.00 C ATOM 368 C ILE A 27 2.743 -1.361 15.941 1.00 0.00 C ATOM 369 O ILE A 27 2.189 -1.230 17.030 1.00 0.00 O ATOM 370 CB ILE A 27 5.097 -2.373 15.989 1.00 0.00 C ATOM 371 CG1 ILE A 27 5.367 -2.622 17.474 1.00 0.00 C ATOM 372 CG2 ILE A 27 5.566 -0.985 15.546 1.00 0.00 C ATOM 373 CD1 ILE A 27 6.629 -3.464 17.669 1.00 0.00 C ATOM 0 H ILE A 27 4.326 -2.995 13.727 1.00 0.00 H new ATOM 0 HA ILE A 27 3.277 -3.380 16.318 1.00 0.00 H new ATOM 0 HB ILE A 27 5.680 -3.104 15.429 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.478 -1.669 17.992 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.513 -3.131 17.922 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.620 -0.861 15.794 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.432 -0.882 14.469 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.981 -0.222 16.059 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.797 -3.626 18.734 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.505 -4.426 17.171 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.485 -2.941 17.242 1.00 0.00 H new ATOM 384 N GLY A 28 2.649 -0.496 14.941 1.00 0.00 N ATOM 385 CA GLY A 28 1.851 0.710 15.070 1.00 0.00 C ATOM 386 C GLY A 28 2.620 1.933 14.564 1.00 0.00 C ATOM 387 O GLY A 28 3.748 2.179 14.987 1.00 0.00 O ATOM 0 H GLY A 28 3.112 -0.607 14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.925 0.600 14.506 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.573 0.857 16.114 1.00 0.00 H new ATOM 391 N GLY A 29 1.978 2.666 13.666 1.00 0.00 N ATOM 392 CA GLY A 29 2.589 3.856 13.097 1.00 0.00 C ATOM 393 C GLY A 29 2.596 5.004 14.109 1.00 0.00 C ATOM 394 O GLY A 29 3.630 5.633 14.333 1.00 0.00 O ATOM 0 H GLY A 29 1.042 2.459 13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.610 3.633 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.043 4.158 12.203 1.00 0.00 H new ATOM 398 N MET A 30 1.432 5.243 14.694 1.00 0.00 N ATOM 399 CA MET A 30 1.292 6.305 15.676 1.00 0.00 C ATOM 400 C MET A 30 2.247 6.094 16.852 1.00 0.00 C ATOM 401 O MET A 30 2.992 7.001 17.222 1.00 0.00 O ATOM 402 CB MET A 30 -0.149 6.338 16.190 1.00 0.00 C ATOM 403 CG MET A 30 -1.024 7.234 15.309 1.00 0.00 C ATOM 404 SD MET A 30 -1.970 8.353 16.327 1.00 0.00 S ATOM 405 CE MET A 30 -1.517 9.910 15.579 1.00 0.00 C ATOM 0 H MET A 30 0.577 4.720 14.507 1.00 0.00 H new ATOM 0 HA MET A 30 1.539 7.252 15.196 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.557 5.327 16.206 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.165 6.704 17.217 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.400 7.799 14.617 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.695 6.622 14.706 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.024 10.724 16.098 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.438 10.049 15.652 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.812 9.909 14.530 1.00 0.00 H new ATOM 413 N ILE A 31 2.196 4.891 17.407 1.00 0.00 N ATOM 414 CA ILE A 31 3.048 4.550 18.533 1.00 0.00 C ATOM 415 C ILE A 31 4.508 4.820 18.162 1.00 0.00 C ATOM 416 O ILE A 31 5.207 5.544 18.870 1.00 0.00 O ATOM 417 CB ILE A 31 2.785 3.113 18.987 1.00 0.00 C ATOM 418 CG1 ILE A 31 3.659 2.749 20.190 1.00 0.00 C ATOM 419 CG2 ILE A 31 2.966 2.130 17.829 1.00 0.00 C ATOM 420 CD1 ILE A 31 3.433 1.297 20.612 1.00 0.00 C ATOM 0 H ILE A 31 1.578 4.141 17.097 1.00 0.00 H new ATOM 0 HA ILE A 31 2.815 5.179 19.392 1.00 0.00 H new ATOM 0 HB ILE A 31 1.746 3.042 19.310 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.709 2.899 19.940 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.432 3.413 21.024 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.773 1.116 18.179 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.267 2.377 17.030 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.987 2.196 17.452 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.066 1.064 21.468 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.387 1.156 20.885 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.685 0.634 19.784 1.00 0.00 H new ATOM 431 N SER A 32 4.924 4.225 17.055 1.00 0.00 N ATOM 432 CA SER A 32 6.288 4.392 16.582 1.00 0.00 C ATOM 433 C SER A 32 6.711 5.857 16.712 1.00 0.00 C ATOM 434 O SER A 32 7.866 6.148 17.018 1.00 0.00 O ATOM 435 CB SER A 32 6.430 3.925 15.133 1.00 0.00 C ATOM 436 OG SER A 32 7.763 3.525 14.828 1.00 0.00 O ATOM 0 H SER A 32 4.341 3.626 16.471 1.00 0.00 H new ATOM 0 HA SER A 32 6.942 3.775 17.199 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.751 3.091 14.953 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.131 4.730 14.462 1.00 0.00 H new ATOM 0 HG SER A 32 7.811 3.232 13.894 1.00 0.00 H new ATOM 441 N GLY A 33 5.752 6.739 16.475 1.00 0.00 N ATOM 442 CA GLY A 33 6.010 8.167 16.562 1.00 0.00 C ATOM 443 C GLY A 33 6.182 8.606 18.017 1.00 0.00 C ATOM 444 O GLY A 33 7.046 9.424 18.325 1.00 0.00 O ATOM 0 H GLY A 33 4.795 6.493 16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.908 8.413 15.996 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.186 8.717 16.107 1.00 0.00 H new ATOM 448 N TRP A 34 5.344 8.041 18.875 1.00 0.00 N ATOM 449 CA TRP A 34 5.392 8.363 20.290 1.00 0.00 C ATOM 450 C TRP A 34 6.790 8.018 20.807 1.00 0.00 C ATOM 451 O TRP A 34 7.482 8.875 21.354 1.00 0.00 O ATOM 452 CB TRP A 34 4.278 7.644 21.055 1.00 0.00 C ATOM 453 CG TRP A 34 4.053 8.175 22.471 1.00 0.00 C ATOM 454 CD1 TRP A 34 3.915 9.449 22.863 1.00 0.00 C ATOM 455 CD2 TRP A 34 3.942 7.389 23.676 1.00 0.00 C ATOM 456 NE1 TRP A 34 3.726 9.541 24.227 1.00 0.00 N ATOM 457 CE2 TRP A 34 3.743 8.249 24.738 1.00 0.00 C ATOM 458 CE3 TRP A 34 4.010 5.997 23.865 1.00 0.00 C ATOM 459 CZ2 TRP A 34 3.594 7.813 26.060 1.00 0.00 C ATOM 460 CZ3 TRP A 34 3.859 5.578 25.192 1.00 0.00 C ATOM 461 CH2 TRP A 34 3.658 6.432 26.271 1.00 0.00 C ATOM 0 H TRP A 34 4.628 7.362 18.616 1.00 0.00 H new ATOM 0 HA TRP A 34 5.215 9.427 20.449 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.349 7.734 20.492 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.516 6.582 21.110 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.948 10.297 22.195 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.597 10.400 24.762 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.166 5.306 23.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.438 8.506 26.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 3.902 4.518 25.392 1.00 0.00 H new ATOM 0 HH2 TRP A 34 3.552 6.030 27.268 1.00 0.00 H new ATOM 471 N ALA A 35 7.163 6.762 20.615 1.00 0.00 N ATOM 472 CA ALA A 35 8.466 6.293 21.054 1.00 0.00 C ATOM 473 C ALA A 35 9.558 7.120 20.372 1.00 0.00 C ATOM 474 O ALA A 35 10.575 7.438 20.985 1.00 0.00 O ATOM 475 CB ALA A 35 8.597 4.797 20.760 1.00 0.00 C ATOM 0 H ALA A 35 6.586 6.054 20.161 1.00 0.00 H new ATOM 0 HA ALA A 35 8.578 6.424 22.130 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.575 4.446 21.090 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.817 4.252 21.292 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.492 4.626 19.689 1.00 0.00 H new ATOM 481 N SER A 36 9.310 7.442 19.111 1.00 0.00 N ATOM 482 CA SER A 36 10.259 8.226 18.339 1.00 0.00 C ATOM 483 C SER A 36 10.511 9.569 19.025 1.00 0.00 C ATOM 484 O SER A 36 11.630 10.079 19.010 1.00 0.00 O ATOM 485 CB SER A 36 9.757 8.447 16.910 1.00 0.00 C ATOM 486 OG SER A 36 10.495 7.682 15.961 1.00 0.00 O ATOM 0 H SER A 36 8.466 7.174 18.605 1.00 0.00 H new ATOM 0 HA SER A 36 11.196 7.671 18.286 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.702 8.179 16.851 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.831 9.505 16.659 1.00 0.00 H new ATOM 0 HG SER A 36 10.143 7.849 15.062 1.00 0.00 H new ATOM 491 N GLY A 37 9.451 10.105 19.613 1.00 0.00 N ATOM 492 CA GLY A 37 9.543 11.379 20.305 1.00 0.00 C ATOM 493 C GLY A 37 10.278 11.228 21.638 1.00 0.00 C ATOM 494 O GLY A 37 11.166 12.018 21.956 1.00 0.00 O ATOM 0 H GLY A 37 8.524 9.680 19.624 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.066 12.101 19.677 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.543 11.775 20.480 1.00 0.00 H new ATOM 498 N LEU A 38 9.881 10.206 22.383 1.00 0.00 N ATOM 499 CA LEU A 38 10.491 9.940 23.676 1.00 0.00 C ATOM 500 C LEU A 38 11.984 9.669 23.483 1.00 0.00 C ATOM 501 O LEU A 38 12.820 10.273 24.154 1.00 0.00 O ATOM 502 CB LEU A 38 9.749 8.814 24.397 1.00 0.00 C ATOM 503 CG LEU A 38 8.230 8.971 24.502 1.00 0.00 C ATOM 504 CD1 LEU A 38 7.537 7.607 24.503 1.00 0.00 C ATOM 505 CD2 LEU A 38 7.848 9.808 25.724 1.00 0.00 C ATOM 0 H LEU A 38 9.145 9.552 22.116 1.00 0.00 H new ATOM 0 HA LEU A 38 10.406 10.812 24.325 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.963 7.877 23.883 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.156 8.724 25.404 1.00 0.00 H new ATOM 0 HG LEU A 38 7.881 9.510 23.621 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.459 7.747 24.578 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.771 7.079 23.578 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.887 7.022 25.353 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.763 9.904 25.775 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.212 9.319 26.628 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.296 10.798 25.641 1.00 0.00 H new ATOM 516 N ALA A 39 12.274 8.758 22.565 1.00 0.00 N ATOM 517 CA ALA A 39 13.652 8.399 22.277 1.00 0.00 C ATOM 518 C ALA A 39 14.374 9.606 21.672 1.00 0.00 C ATOM 519 O ALA A 39 15.590 9.733 21.798 1.00 0.00 O ATOM 520 CB ALA A 39 13.680 7.180 21.353 1.00 0.00 C ATOM 0 H ALA A 39 11.578 8.258 22.011 1.00 0.00 H new ATOM 0 HA ALA A 39 14.176 8.126 23.193 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.714 6.911 21.137 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.181 6.342 21.841 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.165 7.417 20.422 1.00 0.00 H new ATOM 526 N GLY A 40 13.592 10.461 21.030 1.00 0.00 N ATOM 527 CA GLY A 40 14.141 11.653 20.406 1.00 0.00 C ATOM 528 C GLY A 40 14.410 12.742 21.445 1.00 0.00 C ATOM 529 O GLY A 40 13.819 13.819 21.389 1.00 0.00 O ATOM 0 H GLY A 40 12.583 10.352 20.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.067 11.403 19.888 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.446 12.027 19.654 1.00 0.00 H new ATOM 533 N MET A 41 15.302 12.424 22.371 1.00 0.00 N ATOM 534 CA MET A 41 15.656 13.363 23.423 1.00 0.00 C ATOM 535 C MET A 41 16.238 14.650 22.835 1.00 0.00 C ATOM 536 O MET A 41 15.676 15.729 23.016 1.00 0.00 O ATOM 537 CB MET A 41 16.681 12.719 24.358 1.00 0.00 C ATOM 538 CG MET A 41 15.989 11.928 25.471 1.00 0.00 C ATOM 539 SD MET A 41 16.976 11.972 26.956 1.00 0.00 S ATOM 540 CE MET A 41 16.211 13.348 27.797 1.00 0.00 C ATOM 0 H MET A 41 15.790 11.530 22.415 1.00 0.00 H new ATOM 0 HA MET A 41 14.753 13.616 23.979 1.00 0.00 H new ATOM 0 HB2 MET A 41 17.333 12.057 23.788 1.00 0.00 H new ATOM 0 HB3 MET A 41 17.314 13.491 24.795 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.003 12.348 25.668 1.00 0.00 H new ATOM 0 HG3 MET A 41 15.839 10.896 25.155 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.710 13.514 28.752 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.297 14.244 27.182 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.158 13.128 27.972 1.00 0.00 H new TER 548 MET A 41