USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 23 ASN : amide:sc= -0.658 X(o=-0.66,f=-0.23) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ -112:sc= 0.0987 (180deg=-0.0962) USER MOD Single : A 2 SER OG : rot 43:sc= 0.0252 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -5:sc= -9.01! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 15 SER OG : rot -55:sc= 1.39 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -12.8! C(o=-13!,f=-16!) USER MOD Single : A 28 MET CE :methyl 159:sc= 0 (180deg=-0.214) USER MOD Single : A 31 ASN : amide:sc= 0.463 X(o=0.46,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 36 ASN : amide:sc=-0.00186 X(o=-0.0019,f=-0.14) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.005 12.726 -0.335 1.00 0.00 N ATOM 2 CA ASP A 1 -7.618 11.521 0.294 1.00 0.00 C ATOM 3 C ASP A 1 -6.614 10.368 0.275 1.00 0.00 C ATOM 4 O ASP A 1 -5.554 10.464 -0.312 1.00 0.00 O ATOM 5 CB ASP A 1 -8.874 11.118 -0.484 1.00 0.00 C ATOM 6 CG ASP A 1 -8.496 10.744 -1.920 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.492 11.628 -2.760 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.217 9.578 -2.155 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.855 13.457 0.389 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.092 12.469 -0.761 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.640 13.094 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.889 11.750 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.361 10.274 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.590 11.940 -0.489 1.00 0.00 H new ATOM 15 N SER A 2 -6.941 9.277 0.910 1.00 0.00 N ATOM 16 CA SER A 2 -6.008 8.117 0.929 1.00 0.00 C ATOM 17 C SER A 2 -6.503 7.050 -0.049 1.00 0.00 C ATOM 18 O SER A 2 -7.666 6.700 -0.065 1.00 0.00 O ATOM 19 CB SER A 2 -5.958 7.527 2.338 1.00 0.00 C ATOM 20 OG SER A 2 -7.261 7.557 2.906 1.00 0.00 O ATOM 0 H SER A 2 -7.815 9.139 1.417 1.00 0.00 H new ATOM 0 HA SER A 2 -5.012 8.448 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.588 6.502 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.265 8.095 2.958 1.00 0.00 H new ATOM 0 HG SER A 2 -7.917 7.277 2.234 1.00 0.00 H new ATOM 26 N ILE A 3 -5.628 6.530 -0.864 1.00 0.00 N ATOM 27 CA ILE A 3 -6.040 5.492 -1.834 1.00 0.00 C ATOM 28 C ILE A 3 -5.846 4.110 -1.205 1.00 0.00 C ATOM 29 O ILE A 3 -4.834 3.833 -0.599 1.00 0.00 O ATOM 30 CB ILE A 3 -5.178 5.601 -3.096 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.501 6.901 -3.835 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.458 4.416 -4.023 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.688 6.961 -5.131 1.00 0.00 C ATOM 0 H ILE A 3 -4.641 6.785 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.088 5.633 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.128 5.596 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.567 6.951 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.267 7.759 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.842 4.501 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.222 3.486 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.511 4.416 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.915 7.886 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.624 6.930 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.945 6.110 -5.761 1.00 0.00 H new ATOM 45 N THR A 4 -6.804 3.238 -1.346 1.00 0.00 N ATOM 46 CA THR A 4 -6.660 1.875 -0.761 1.00 0.00 C ATOM 47 C THR A 4 -6.844 0.847 -1.875 1.00 0.00 C ATOM 48 O THR A 4 -7.907 0.731 -2.452 1.00 0.00 O ATOM 49 CB THR A 4 -7.724 1.657 0.316 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.466 2.522 1.414 1.00 0.00 O ATOM 51 CG2 THR A 4 -7.685 0.203 0.789 1.00 0.00 C ATOM 0 H THR A 4 -7.680 3.409 -1.840 1.00 0.00 H new ATOM 0 HA THR A 4 -5.674 1.768 -0.309 1.00 0.00 H new ATOM 0 HB THR A 4 -8.709 1.875 -0.096 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.147 2.386 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.444 0.050 1.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.882 -0.459 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.701 -0.019 1.202 1.00 0.00 H new ATOM 59 N TYR A 5 -5.817 0.109 -2.197 1.00 0.00 N ATOM 60 CA TYR A 5 -5.953 -0.890 -3.290 1.00 0.00 C ATOM 61 C TYR A 5 -5.713 -2.294 -2.759 1.00 0.00 C ATOM 62 O TYR A 5 -4.825 -2.532 -1.969 1.00 0.00 O ATOM 63 CB TYR A 5 -4.965 -0.552 -4.410 1.00 0.00 C ATOM 64 CG TYR A 5 -3.648 -1.292 -4.271 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.543 -2.655 -4.598 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.505 -0.584 -3.887 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.306 -3.290 -4.542 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.269 -1.230 -3.817 1.00 0.00 C ATOM 69 CZ TYR A 5 -1.172 -2.583 -4.150 1.00 0.00 C ATOM 70 OH TYR A 5 0.046 -3.218 -4.109 1.00 0.00 O ATOM 0 H TYR A 5 -4.899 0.155 -1.755 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.966 -0.855 -3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.415 -0.797 -5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.776 0.521 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.422 -3.209 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.578 0.466 -3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.225 -4.335 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.390 -0.685 -3.506 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.075 -4.171 -4.304 1.00 0.00 H new ATOM 80 N ARG A 6 -6.504 -3.231 -3.194 1.00 0.00 N ATOM 81 CA ARG A 6 -6.324 -4.622 -2.717 1.00 0.00 C ATOM 82 C ARG A 6 -5.373 -5.351 -3.650 1.00 0.00 C ATOM 83 O ARG A 6 -5.604 -5.470 -4.837 1.00 0.00 O ATOM 84 CB ARG A 6 -7.673 -5.342 -2.678 1.00 0.00 C ATOM 85 CG ARG A 6 -8.577 -4.671 -1.641 1.00 0.00 C ATOM 86 CD ARG A 6 -9.951 -4.409 -2.258 1.00 0.00 C ATOM 87 NE ARG A 6 -10.964 -4.280 -1.175 1.00 0.00 N ATOM 88 CZ ARG A 6 -12.168 -4.753 -1.349 1.00 0.00 C ATOM 89 NH1 ARG A 6 -12.589 -5.749 -0.617 1.00 0.00 N ATOM 90 NH2 ARG A 6 -12.951 -4.230 -2.252 1.00 0.00 N ATOM 0 H ARG A 6 -7.266 -3.092 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.907 -4.609 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.143 -5.311 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.530 -6.393 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.676 -5.308 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.132 -3.734 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.925 -3.499 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.222 -5.224 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.717 -3.822 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.977 -6.157 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.530 -6.119 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.622 -3.451 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.892 -4.600 -2.387 1.00 0.00 H new ATOM 104 N VAL A 7 -4.301 -5.830 -3.109 1.00 0.00 N ATOM 105 CA VAL A 7 -3.300 -6.551 -3.925 1.00 0.00 C ATOM 106 C VAL A 7 -3.827 -7.948 -4.233 1.00 0.00 C ATOM 107 O VAL A 7 -3.947 -8.773 -3.364 1.00 0.00 O ATOM 108 CB VAL A 7 -2.013 -6.639 -3.113 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.839 -6.985 -4.020 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.755 -5.285 -2.455 1.00 0.00 C ATOM 0 H VAL A 7 -4.071 -5.752 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.110 -6.033 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.116 -7.417 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.074 -7.045 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.022 -7.945 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.727 -6.213 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.836 -5.334 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.655 -4.520 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.589 -5.034 -1.800 1.00 0.00 H new ATOM 120 N ARG A 8 -4.149 -8.212 -5.463 1.00 0.00 N ATOM 121 CA ARG A 8 -4.684 -9.557 -5.821 1.00 0.00 C ATOM 122 C ARG A 8 -3.564 -10.411 -6.407 1.00 0.00 C ATOM 123 O ARG A 8 -2.549 -9.904 -6.829 1.00 0.00 O ATOM 124 CB ARG A 8 -5.801 -9.403 -6.854 1.00 0.00 C ATOM 125 CG ARG A 8 -7.104 -9.960 -6.280 1.00 0.00 C ATOM 126 CD ARG A 8 -7.429 -9.248 -4.967 1.00 0.00 C ATOM 127 NE ARG A 8 -8.903 -9.258 -4.748 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.610 -8.196 -5.017 1.00 0.00 C ATOM 129 NH1 ARG A 8 -10.092 -7.469 -4.046 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.835 -7.857 -6.257 1.00 0.00 N ATOM 0 H ARG A 8 -4.066 -7.556 -6.240 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.079 -10.040 -4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.926 -8.353 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.539 -9.932 -7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.917 -9.820 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.010 -11.033 -6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.924 -9.743 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.062 -8.222 -4.997 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.359 -10.096 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.916 -7.732 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.645 -6.638 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.458 -8.423 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.388 -7.026 -6.466 1.00 0.00 H new ATOM 144 N LYS A 9 -3.731 -11.707 -6.426 1.00 0.00 N ATOM 145 CA LYS A 9 -2.658 -12.576 -6.985 1.00 0.00 C ATOM 146 C LYS A 9 -2.332 -12.104 -8.402 1.00 0.00 C ATOM 147 O LYS A 9 -3.205 -11.746 -9.168 1.00 0.00 O ATOM 148 CB LYS A 9 -3.126 -14.031 -7.027 1.00 0.00 C ATOM 149 CG LYS A 9 -4.408 -14.142 -7.856 1.00 0.00 C ATOM 150 CD LYS A 9 -4.076 -14.705 -9.239 1.00 0.00 C ATOM 151 CE LYS A 9 -4.436 -16.191 -9.287 1.00 0.00 C ATOM 152 NZ LYS A 9 -5.658 -16.380 -10.119 1.00 0.00 N ATOM 0 H LYS A 9 -4.557 -12.197 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.772 -12.511 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.348 -14.660 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.304 -14.394 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.125 -14.789 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.876 -13.163 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.628 -14.162 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.016 -14.570 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.607 -16.764 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.608 -16.567 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.903 -17.390 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.447 -15.846 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.478 -16.036 -11.084 1.00 0.00 H new ATOM 166 N GLY A 10 -1.077 -12.079 -8.746 1.00 0.00 N ATOM 167 CA GLY A 10 -0.689 -11.607 -10.104 1.00 0.00 C ATOM 168 C GLY A 10 -0.564 -10.075 -10.107 1.00 0.00 C ATOM 169 O GLY A 10 -0.112 -9.486 -11.070 1.00 0.00 O ATOM 0 H GLY A 10 -0.302 -12.365 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.258 -12.059 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.434 -11.922 -10.835 1.00 0.00 H new ATOM 173 N ASP A 11 -0.959 -9.417 -9.043 1.00 0.00 N ATOM 174 CA ASP A 11 -0.855 -7.932 -9.000 1.00 0.00 C ATOM 175 C ASP A 11 0.536 -7.541 -8.517 1.00 0.00 C ATOM 176 O ASP A 11 1.105 -8.183 -7.656 1.00 0.00 O ATOM 177 CB ASP A 11 -1.899 -7.360 -8.037 1.00 0.00 C ATOM 178 CG ASP A 11 -3.293 -7.442 -8.666 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.590 -8.455 -9.278 1.00 0.00 O ATOM 180 OD2 ASP A 11 -4.043 -6.491 -8.518 1.00 0.00 O ATOM 0 H ASP A 11 -1.348 -9.848 -8.205 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.031 -7.532 -9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.882 -7.914 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.658 -6.324 -7.800 1.00 0.00 H new ATOM 185 N SER A 12 1.086 -6.494 -9.057 1.00 0.00 N ATOM 186 CA SER A 12 2.438 -6.060 -8.620 1.00 0.00 C ATOM 187 C SER A 12 2.331 -4.685 -7.970 1.00 0.00 C ATOM 188 O SER A 12 1.610 -3.833 -8.432 1.00 0.00 O ATOM 189 CB SER A 12 3.371 -5.986 -9.827 1.00 0.00 C ATOM 190 OG SER A 12 4.717 -5.913 -9.378 1.00 0.00 O ATOM 0 H SER A 12 0.658 -5.919 -9.783 1.00 0.00 H new ATOM 0 HA SER A 12 2.840 -6.776 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.234 -6.862 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.130 -5.113 -10.434 1.00 0.00 H new ATOM 0 HG SER A 12 5.318 -5.867 -10.151 1.00 0.00 H new ATOM 196 N LEU A 13 3.051 -4.468 -6.912 1.00 0.00 N ATOM 197 CA LEU A 13 3.011 -3.145 -6.218 1.00 0.00 C ATOM 198 C LEU A 13 3.222 -2.036 -7.248 1.00 0.00 C ATOM 199 O LEU A 13 2.397 -1.150 -7.396 1.00 0.00 O ATOM 200 CB LEU A 13 4.126 -3.125 -5.167 1.00 0.00 C ATOM 201 CG LEU A 13 3.656 -3.829 -3.883 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.588 -2.992 -3.199 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.051 -5.202 -4.202 1.00 0.00 C ATOM 0 H LEU A 13 3.675 -5.155 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 13 2.049 -2.987 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.014 -3.621 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.408 -2.096 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 13 4.523 -3.953 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.258 -3.495 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.999 -2.015 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.740 -2.865 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.726 -5.680 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.196 -5.077 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.801 -5.826 -4.689 1.00 0.00 H new ATOM 215 N SER A 14 4.302 -2.085 -7.972 1.00 0.00 N ATOM 216 CA SER A 14 4.555 -1.037 -8.996 1.00 0.00 C ATOM 217 C SER A 14 3.431 -1.042 -10.048 1.00 0.00 C ATOM 218 O SER A 14 2.923 -0.004 -10.435 1.00 0.00 O ATOM 219 CB SER A 14 5.894 -1.312 -9.681 1.00 0.00 C ATOM 220 OG SER A 14 6.740 -2.025 -8.788 1.00 0.00 O ATOM 0 H SER A 14 5.021 -2.805 -7.899 1.00 0.00 H new ATOM 0 HA SER A 14 4.582 -0.062 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.738 -1.890 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.365 -0.374 -9.975 1.00 0.00 H new ATOM 0 HG SER A 14 7.599 -2.205 -9.224 1.00 0.00 H new ATOM 226 N SER A 15 3.044 -2.205 -10.520 1.00 0.00 N ATOM 227 CA SER A 15 1.962 -2.275 -11.550 1.00 0.00 C ATOM 228 C SER A 15 0.687 -1.640 -11.009 1.00 0.00 C ATOM 229 O SER A 15 -0.032 -0.961 -11.714 1.00 0.00 O ATOM 230 CB SER A 15 1.692 -3.734 -11.928 1.00 0.00 C ATOM 231 OG SER A 15 0.763 -4.297 -11.010 1.00 0.00 O ATOM 0 H SER A 15 3.431 -3.105 -10.236 1.00 0.00 H new ATOM 0 HA SER A 15 2.284 -1.730 -12.437 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.297 -3.791 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.622 -4.302 -11.915 1.00 0.00 H new ATOM 0 HG SER A 15 1.099 -4.188 -10.096 1.00 0.00 H new ATOM 237 N ILE A 16 0.414 -1.838 -9.758 1.00 0.00 N ATOM 238 CA ILE A 16 -0.798 -1.228 -9.157 1.00 0.00 C ATOM 239 C ILE A 16 -0.624 0.283 -9.208 1.00 0.00 C ATOM 240 O ILE A 16 -1.510 0.997 -9.621 1.00 0.00 O ATOM 241 CB ILE A 16 -0.961 -1.697 -7.710 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.637 -3.075 -7.693 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.840 -0.703 -6.956 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.714 -4.100 -7.031 1.00 0.00 C ATOM 0 H ILE A 16 0.980 -2.399 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.691 -1.526 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 16 0.018 -1.762 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.581 -3.020 -7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.871 -3.387 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.959 -1.033 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.371 0.281 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.818 -0.646 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.200 -5.075 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.219 -4.165 -7.591 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.502 -3.791 -6.007 1.00 0.00 H new ATOM 256 N ALA A 17 0.527 0.774 -8.823 1.00 0.00 N ATOM 257 CA ALA A 17 0.760 2.247 -8.887 1.00 0.00 C ATOM 258 C ALA A 17 0.417 2.745 -10.288 1.00 0.00 C ATOM 259 O ALA A 17 -0.212 3.765 -10.456 1.00 0.00 O ATOM 260 CB ALA A 17 2.226 2.555 -8.643 1.00 0.00 C ATOM 0 H ALA A 17 1.309 0.223 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 17 0.141 2.731 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.385 3.632 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.515 2.190 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.833 2.064 -9.404 1.00 0.00 H new ATOM 266 N LYS A 18 0.850 2.029 -11.297 1.00 0.00 N ATOM 267 CA LYS A 18 0.572 2.453 -12.702 1.00 0.00 C ATOM 268 C LYS A 18 -0.921 2.751 -12.877 1.00 0.00 C ATOM 269 O LYS A 18 -1.294 3.696 -13.545 1.00 0.00 O ATOM 270 CB LYS A 18 0.983 1.338 -13.665 1.00 0.00 C ATOM 271 CG LYS A 18 2.493 1.107 -13.568 1.00 0.00 C ATOM 272 CD LYS A 18 3.219 2.072 -14.506 1.00 0.00 C ATOM 273 CE LYS A 18 3.880 3.184 -13.686 1.00 0.00 C ATOM 274 NZ LYS A 18 4.041 4.398 -14.533 1.00 0.00 N ATOM 0 H LYS A 18 1.386 1.166 -11.206 1.00 0.00 H new ATOM 0 HA LYS A 18 1.144 3.355 -12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.448 0.419 -13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.711 1.606 -14.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.829 1.258 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.732 0.077 -13.833 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.972 1.536 -15.084 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.515 2.501 -15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.272 3.416 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.851 2.852 -13.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.490 5.153 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.638 4.172 -15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.108 4.718 -14.861 1.00 0.00 H new ATOM 288 N ARG A 19 -1.776 1.963 -12.279 1.00 0.00 N ATOM 289 CA ARG A 19 -3.244 2.211 -12.408 1.00 0.00 C ATOM 290 C ARG A 19 -3.576 3.631 -11.940 1.00 0.00 C ATOM 291 O ARG A 19 -4.499 4.253 -12.427 1.00 0.00 O ATOM 292 CB ARG A 19 -4.009 1.208 -11.542 1.00 0.00 C ATOM 293 CG ARG A 19 -4.136 -0.123 -12.283 1.00 0.00 C ATOM 294 CD ARG A 19 -5.397 -0.848 -11.808 1.00 0.00 C ATOM 295 NE ARG A 19 -5.282 -2.303 -12.111 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.285 -2.993 -11.628 1.00 0.00 C ATOM 297 NH1 ARG A 19 -3.348 -3.428 -12.425 1.00 0.00 N ATOM 298 NH2 ARG A 19 -4.225 -3.248 -10.349 1.00 0.00 N ATOM 0 H ARG A 19 -1.522 1.158 -11.707 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.534 2.096 -13.452 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.489 1.060 -10.595 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.999 1.599 -11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.185 0.049 -13.358 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.257 -0.740 -12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.532 -0.699 -10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.275 -0.432 -12.301 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.982 -2.759 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.395 -3.229 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.568 -3.967 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.958 -2.908 -9.726 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.445 -3.787 -9.973 1.00 0.00 H new ATOM 312 N HIS A 20 -2.832 4.150 -11.001 1.00 0.00 N ATOM 313 CA HIS A 20 -3.107 5.529 -10.507 1.00 0.00 C ATOM 314 C HIS A 20 -1.928 6.453 -10.835 1.00 0.00 C ATOM 315 O HIS A 20 -1.843 7.547 -10.314 1.00 0.00 O ATOM 316 CB HIS A 20 -3.297 5.511 -8.985 1.00 0.00 C ATOM 317 CG HIS A 20 -3.398 4.095 -8.478 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.614 3.473 -8.252 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.442 3.175 -8.126 1.00 0.00 C ATOM 320 CE1 HIS A 20 -4.352 2.239 -7.781 1.00 0.00 C ATOM 321 NE2 HIS A 20 -3.048 2.010 -7.691 1.00 0.00 N ATOM 0 H HIS A 20 -2.045 3.678 -10.555 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.011 5.894 -10.994 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.460 6.016 -8.503 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.199 6.063 -8.719 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.538 3.875 -8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.376 3.337 -8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.112 1.522 -7.509 1.00 0.00 H new ATOM 329 N GLY A 21 -1.011 6.028 -11.676 1.00 0.00 N ATOM 330 CA GLY A 21 0.161 6.899 -11.993 1.00 0.00 C ATOM 331 C GLY A 21 0.768 7.373 -10.673 1.00 0.00 C ATOM 332 O GLY A 21 0.917 8.555 -10.431 1.00 0.00 O ATOM 0 H GLY A 21 -1.026 5.125 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.899 6.348 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.150 7.751 -12.597 1.00 0.00 H new ATOM 336 N VAL A 22 1.074 6.452 -9.802 1.00 0.00 N ATOM 337 CA VAL A 22 1.620 6.831 -8.470 1.00 0.00 C ATOM 338 C VAL A 22 3.017 6.240 -8.257 1.00 0.00 C ATOM 339 O VAL A 22 3.509 5.471 -9.059 1.00 0.00 O ATOM 340 CB VAL A 22 0.684 6.316 -7.384 1.00 0.00 C ATOM 341 CG1 VAL A 22 -0.338 7.396 -7.042 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.048 5.071 -7.865 1.00 0.00 C ATOM 0 H VAL A 22 0.969 5.449 -9.957 1.00 0.00 H new ATOM 0 HA VAL A 22 1.697 7.917 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 22 1.272 6.066 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.009 7.029 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.179 8.286 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.916 7.645 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.713 4.714 -7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.632 5.313 -8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.677 4.294 -8.108 1.00 0.00 H new ATOM 352 N ASN A 23 3.663 6.610 -7.177 1.00 0.00 N ATOM 353 CA ASN A 23 5.032 6.090 -6.901 1.00 0.00 C ATOM 354 C ASN A 23 4.982 5.056 -5.773 1.00 0.00 C ATOM 355 O ASN A 23 5.006 5.378 -4.593 1.00 0.00 O ATOM 356 CB ASN A 23 5.937 7.249 -6.489 1.00 0.00 C ATOM 357 CG ASN A 23 6.348 8.042 -7.729 1.00 0.00 C ATOM 358 OD1 ASN A 23 6.078 9.222 -7.827 1.00 0.00 O ATOM 359 ND2 ASN A 23 6.995 7.439 -8.690 1.00 0.00 N ATOM 0 H ASN A 23 3.296 7.252 -6.475 1.00 0.00 H new ATOM 0 HA ASN A 23 5.425 5.616 -7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.416 7.898 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.822 6.869 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.273 7.959 -9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.222 6.448 -8.608 1.00 0.00 H new ATOM 366 N ILE A 24 4.925 3.806 -6.121 1.00 0.00 N ATOM 367 CA ILE A 24 4.881 2.757 -5.072 1.00 0.00 C ATOM 368 C ILE A 24 6.045 2.953 -4.103 1.00 0.00 C ATOM 369 O ILE A 24 5.969 2.573 -2.955 1.00 0.00 O ATOM 370 CB ILE A 24 4.941 1.386 -5.724 1.00 0.00 C ATOM 371 CG1 ILE A 24 3.782 1.269 -6.687 1.00 0.00 C ATOM 372 CG2 ILE A 24 4.793 0.304 -4.674 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.456 1.373 -5.914 1.00 0.00 C ATOM 0 H ILE A 24 4.907 3.465 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 24 3.950 2.832 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 24 5.896 1.269 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.839 2.057 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.832 0.318 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.837 -0.675 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.600 0.390 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.835 0.417 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.621 1.288 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.399 0.569 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.407 2.335 -5.404 1.00 0.00 H new ATOM 385 N LYS A 25 7.111 3.583 -4.533 1.00 0.00 N ATOM 386 CA LYS A 25 8.227 3.833 -3.585 1.00 0.00 C ATOM 387 C LYS A 25 7.687 4.739 -2.480 1.00 0.00 C ATOM 388 O LYS A 25 7.981 4.556 -1.318 1.00 0.00 O ATOM 389 CB LYS A 25 9.402 4.511 -4.289 1.00 0.00 C ATOM 390 CG LYS A 25 8.906 5.655 -5.179 1.00 0.00 C ATOM 391 CD LYS A 25 10.101 6.475 -5.667 1.00 0.00 C ATOM 392 CE LYS A 25 9.602 7.725 -6.393 1.00 0.00 C ATOM 393 NZ LYS A 25 9.966 7.640 -7.835 1.00 0.00 N ATOM 0 H LYS A 25 7.251 3.927 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 25 8.592 2.890 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.104 4.896 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.943 3.781 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.354 5.255 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.218 6.291 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.729 6.759 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.718 5.875 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.521 7.815 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.042 8.617 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.627 8.490 -8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.000 7.574 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.526 6.796 -8.255 1.00 0.00 H new ATOM 407 N ASP A 26 6.850 5.687 -2.833 1.00 0.00 N ATOM 408 CA ASP A 26 6.244 6.556 -1.792 1.00 0.00 C ATOM 409 C ASP A 26 5.409 5.649 -0.916 1.00 0.00 C ATOM 410 O ASP A 26 5.405 5.755 0.297 1.00 0.00 O ATOM 411 CB ASP A 26 5.340 7.621 -2.412 1.00 0.00 C ATOM 412 CG ASP A 26 6.134 8.493 -3.388 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.343 8.336 -3.453 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.518 9.314 -4.047 1.00 0.00 O ATOM 0 H ASP A 26 6.566 5.890 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 26 7.024 7.073 -1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.510 7.144 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.909 8.243 -1.627 1.00 0.00 H new ATOM 419 N VAL A 27 4.729 4.723 -1.527 1.00 0.00 N ATOM 420 CA VAL A 27 3.924 3.758 -0.722 1.00 0.00 C ATOM 421 C VAL A 27 4.861 3.066 0.266 1.00 0.00 C ATOM 422 O VAL A 27 4.562 2.932 1.439 1.00 0.00 O ATOM 423 CB VAL A 27 3.290 2.714 -1.630 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.368 1.825 -0.799 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.488 3.426 -2.714 1.00 0.00 C ATOM 0 H VAL A 27 4.693 4.590 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 27 3.131 4.288 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 27 4.060 2.098 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.910 1.074 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.946 1.330 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.589 2.435 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.029 2.687 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.710 4.034 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.151 4.067 -3.295 1.00 0.00 H new ATOM 435 N MET A 28 6.020 2.658 -0.191 1.00 0.00 N ATOM 436 CA MET A 28 6.995 2.013 0.726 1.00 0.00 C ATOM 437 C MET A 28 7.590 3.095 1.630 1.00 0.00 C ATOM 438 O MET A 28 8.211 2.813 2.634 1.00 0.00 O ATOM 439 CB MET A 28 8.108 1.351 -0.087 1.00 0.00 C ATOM 440 CG MET A 28 7.501 0.336 -1.057 1.00 0.00 C ATOM 441 SD MET A 28 8.676 0.002 -2.393 1.00 0.00 S ATOM 442 CE MET A 28 7.887 -1.502 -3.016 1.00 0.00 C ATOM 0 H MET A 28 6.328 2.746 -1.160 1.00 0.00 H new ATOM 0 HA MET A 28 6.499 1.251 1.327 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.668 2.106 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.813 0.855 0.580 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.260 -0.588 -0.530 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.568 0.722 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.204 -1.680 -4.043 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.177 -2.349 -2.394 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.804 -1.384 -2.986 1.00 0.00 H new ATOM 452 N ARG A 29 7.400 4.339 1.275 1.00 0.00 N ATOM 453 CA ARG A 29 7.940 5.447 2.107 1.00 0.00 C ATOM 454 C ARG A 29 7.091 5.587 3.372 1.00 0.00 C ATOM 455 O ARG A 29 7.608 5.758 4.457 1.00 0.00 O ATOM 456 CB ARG A 29 7.889 6.753 1.312 1.00 0.00 C ATOM 457 CG ARG A 29 8.738 7.816 2.010 1.00 0.00 C ATOM 458 CD ARG A 29 8.469 9.180 1.369 1.00 0.00 C ATOM 459 NE ARG A 29 9.748 9.934 1.257 1.00 0.00 N ATOM 460 CZ ARG A 29 9.938 11.012 1.971 1.00 0.00 C ATOM 461 NH1 ARG A 29 9.651 11.010 3.244 1.00 0.00 N ATOM 462 NH2 ARG A 29 10.414 12.088 1.411 1.00 0.00 N ATOM 0 H ARG A 29 6.892 4.633 0.441 1.00 0.00 H new ATOM 0 HA ARG A 29 8.972 5.230 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.257 6.588 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.858 7.097 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.500 7.848 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.795 7.565 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.023 9.049 0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.754 9.742 1.970 1.00 0.00 H new ATOM 0 HE ARG A 29 10.477 9.609 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.279 10.167 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.799 11.851 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.638 12.089 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.562 12.930 1.968 1.00 0.00 H new ATOM 476 N TRP A 30 5.788 5.508 3.252 1.00 0.00 N ATOM 477 CA TRP A 30 4.933 5.633 4.471 1.00 0.00 C ATOM 478 C TRP A 30 4.857 4.279 5.175 1.00 0.00 C ATOM 479 O TRP A 30 4.896 4.200 6.386 1.00 0.00 O ATOM 480 CB TRP A 30 3.522 6.084 4.091 1.00 0.00 C ATOM 481 CG TRP A 30 3.607 7.245 3.159 1.00 0.00 C ATOM 482 CD1 TRP A 30 4.063 8.476 3.483 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.234 7.300 1.760 1.00 0.00 C ATOM 484 NE1 TRP A 30 3.998 9.282 2.361 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.493 8.601 1.272 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.703 6.351 0.877 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.233 8.946 -0.053 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.441 6.691 -0.454 1.00 0.00 C ATOM 489 CH2 TRP A 30 2.705 7.987 -0.921 1.00 0.00 C ATOM 0 H TRP A 30 5.286 5.364 2.376 1.00 0.00 H new ATOM 0 HA TRP A 30 5.374 6.376 5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.981 5.264 3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.964 6.362 4.985 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.419 8.779 4.456 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.288 10.260 2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.495 5.351 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.438 9.946 -0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.033 5.951 -1.127 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.500 8.243 -1.950 1.00 0.00 H new ATOM 500 N ASN A 31 4.753 3.211 4.432 1.00 0.00 N ATOM 501 CA ASN A 31 4.677 1.871 5.076 1.00 0.00 C ATOM 502 C ASN A 31 6.067 1.247 5.122 1.00 0.00 C ATOM 503 O ASN A 31 6.804 1.272 4.161 1.00 0.00 O ATOM 504 CB ASN A 31 3.745 0.962 4.283 1.00 0.00 C ATOM 505 CG ASN A 31 2.388 1.646 4.105 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.500 1.482 4.918 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.187 2.412 3.067 1.00 0.00 N ATOM 0 H ASN A 31 4.718 3.209 3.413 1.00 0.00 H new ATOM 0 HA ASN A 31 4.291 1.987 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.181 0.738 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.619 0.012 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.286 2.872 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.931 2.551 2.384 1.00 0.00 H new ATOM 514 N SER A 32 6.423 0.674 6.233 1.00 0.00 N ATOM 515 CA SER A 32 7.763 0.034 6.346 1.00 0.00 C ATOM 516 C SER A 32 7.636 -1.436 5.974 1.00 0.00 C ATOM 517 O SER A 32 7.897 -1.832 4.855 1.00 0.00 O ATOM 518 CB SER A 32 8.277 0.166 7.780 1.00 0.00 C ATOM 519 OG SER A 32 8.768 1.485 7.982 1.00 0.00 O ATOM 0 H SER A 32 5.844 0.620 7.071 1.00 0.00 H new ATOM 0 HA SER A 32 8.467 0.524 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.476 -0.049 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.068 -0.561 7.964 1.00 0.00 H new ATOM 0 HG SER A 32 9.097 1.574 8.901 1.00 0.00 H new ATOM 525 N ASP A 33 7.217 -2.241 6.897 1.00 0.00 N ATOM 526 CA ASP A 33 7.043 -3.685 6.602 1.00 0.00 C ATOM 527 C ASP A 33 5.768 -3.854 5.779 1.00 0.00 C ATOM 528 O ASP A 33 4.672 -3.742 6.289 1.00 0.00 O ATOM 529 CB ASP A 33 6.916 -4.468 7.910 1.00 0.00 C ATOM 530 CG ASP A 33 8.269 -5.083 8.269 1.00 0.00 C ATOM 531 OD1 ASP A 33 9.267 -4.394 8.126 1.00 0.00 O ATOM 532 OD2 ASP A 33 8.288 -6.231 8.680 1.00 0.00 O ATOM 0 H ASP A 33 6.985 -1.962 7.850 1.00 0.00 H new ATOM 0 HA ASP A 33 7.903 -4.062 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.581 -3.808 8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.165 -5.251 7.806 1.00 0.00 H new ATOM 537 N THR A 34 5.900 -4.103 4.507 1.00 0.00 N ATOM 538 CA THR A 34 4.689 -4.258 3.653 1.00 0.00 C ATOM 539 C THR A 34 4.205 -5.711 3.683 1.00 0.00 C ATOM 540 O THR A 34 3.802 -6.265 2.674 1.00 0.00 O ATOM 541 CB THR A 34 5.030 -3.853 2.218 1.00 0.00 C ATOM 542 OG1 THR A 34 6.279 -4.421 1.852 1.00 0.00 O ATOM 543 CG2 THR A 34 5.111 -2.329 2.124 1.00 0.00 C ATOM 0 H THR A 34 6.791 -4.206 4.022 1.00 0.00 H new ATOM 0 HA THR A 34 3.894 -3.618 4.035 1.00 0.00 H new ATOM 0 HB THR A 34 4.255 -4.215 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.498 -4.164 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.354 -2.040 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.151 -1.896 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.886 -1.964 2.798 1.00 0.00 H new ATOM 551 N ALA A 35 4.215 -6.330 4.834 1.00 0.00 N ATOM 552 CA ALA A 35 3.735 -7.734 4.928 1.00 0.00 C ATOM 553 C ALA A 35 2.226 -7.777 4.670 1.00 0.00 C ATOM 554 O ALA A 35 1.645 -8.835 4.527 1.00 0.00 O ATOM 555 CB ALA A 35 4.031 -8.285 6.324 1.00 0.00 C ATOM 0 H ALA A 35 4.536 -5.921 5.712 1.00 0.00 H new ATOM 0 HA ALA A 35 4.248 -8.342 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.678 -9.314 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.105 -8.257 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.520 -7.677 7.071 1.00 0.00 H new ATOM 561 N ASN A 36 1.588 -6.639 4.593 1.00 0.00 N ATOM 562 CA ASN A 36 0.129 -6.626 4.330 1.00 0.00 C ATOM 563 C ASN A 36 -0.123 -6.753 2.825 1.00 0.00 C ATOM 564 O ASN A 36 -1.249 -6.750 2.386 1.00 0.00 O ATOM 565 CB ASN A 36 -0.469 -5.312 4.834 1.00 0.00 C ATOM 566 CG ASN A 36 -0.896 -5.473 6.294 1.00 0.00 C ATOM 567 OD1 ASN A 36 -1.716 -6.313 6.609 1.00 0.00 O ATOM 568 ND2 ASN A 36 -0.370 -4.700 7.203 1.00 0.00 N ATOM 0 H ASN A 36 2.019 -5.721 4.702 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.338 -7.463 4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.263 -4.509 4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.326 -5.032 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.647 -4.800 8.180 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.318 -3.995 6.937 1.00 0.00 H new ATOM 575 N LEU A 37 0.907 -6.868 2.023 1.00 0.00 N ATOM 576 CA LEU A 37 0.672 -6.998 0.558 1.00 0.00 C ATOM 577 C LEU A 37 0.391 -8.466 0.244 1.00 0.00 C ATOM 578 O LEU A 37 1.203 -9.161 -0.333 1.00 0.00 O ATOM 579 CB LEU A 37 1.902 -6.534 -0.228 1.00 0.00 C ATOM 580 CG LEU A 37 1.984 -5.004 -0.237 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.629 -4.435 1.139 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.404 -4.575 -0.600 1.00 0.00 C ATOM 0 H LEU A 37 1.884 -6.877 2.316 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.175 -6.376 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.805 -6.950 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.850 -6.908 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 37 1.274 -4.623 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.693 -3.347 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.614 -4.732 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.326 -4.820 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.465 -3.487 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.103 -4.973 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.659 -4.959 -1.588 1.00 0.00 H new ATOM 594 N GLN A 38 -0.761 -8.935 0.626 1.00 0.00 N ATOM 595 CA GLN A 38 -1.134 -10.344 0.372 1.00 0.00 C ATOM 596 C GLN A 38 -2.206 -10.343 -0.703 1.00 0.00 C ATOM 597 O GLN A 38 -2.801 -9.314 -0.967 1.00 0.00 O ATOM 598 CB GLN A 38 -1.688 -10.961 1.659 1.00 0.00 C ATOM 599 CG GLN A 38 -0.552 -11.142 2.666 1.00 0.00 C ATOM 600 CD GLN A 38 -0.395 -12.627 2.994 1.00 0.00 C ATOM 601 OE1 GLN A 38 0.507 -13.277 2.502 1.00 0.00 O ATOM 602 NE2 GLN A 38 -1.241 -13.197 3.807 1.00 0.00 N ATOM 0 H GLN A 38 -1.471 -8.388 1.113 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.271 -10.926 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.462 -10.319 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.154 -11.922 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.378 -10.749 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.763 -10.578 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.998 -12.652 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.146 -14.188 4.030 1.00 0.00 H new ATOM 611 N PRO A 39 -2.433 -11.481 -1.291 1.00 0.00 N ATOM 612 CA PRO A 39 -3.438 -11.603 -2.343 1.00 0.00 C ATOM 613 C PRO A 39 -4.831 -11.457 -1.736 1.00 0.00 C ATOM 614 O PRO A 39 -5.477 -12.417 -1.366 1.00 0.00 O ATOM 615 CB PRO A 39 -3.189 -12.994 -2.934 1.00 0.00 C ATOM 616 CG PRO A 39 -2.425 -13.789 -1.850 1.00 0.00 C ATOM 617 CD PRO A 39 -1.738 -12.740 -0.954 1.00 0.00 C ATOM 0 HA PRO A 39 -3.373 -10.835 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.129 -13.484 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.606 -12.929 -3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.107 -14.411 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.691 -14.457 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.844 -12.985 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.670 -12.675 -1.161 1.00 0.00 H new ATOM 625 N GLY A 40 -5.274 -10.238 -1.620 1.00 0.00 N ATOM 626 CA GLY A 40 -6.604 -9.958 -1.027 1.00 0.00 C ATOM 627 C GLY A 40 -6.454 -8.950 0.122 1.00 0.00 C ATOM 628 O GLY A 40 -7.347 -8.799 0.932 1.00 0.00 O ATOM 0 H GLY A 40 -4.758 -9.410 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.276 -9.560 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.051 -10.881 -0.658 1.00 0.00 H new ATOM 632 N ASP A 41 -5.339 -8.253 0.213 1.00 0.00 N ATOM 633 CA ASP A 41 -5.183 -7.270 1.327 1.00 0.00 C ATOM 634 C ASP A 41 -5.167 -5.850 0.761 1.00 0.00 C ATOM 635 O ASP A 41 -4.791 -5.634 -0.370 1.00 0.00 O ATOM 636 CB ASP A 41 -3.872 -7.536 2.059 1.00 0.00 C ATOM 637 CG ASP A 41 -4.162 -8.196 3.406 1.00 0.00 C ATOM 638 OD1 ASP A 41 -4.407 -9.391 3.417 1.00 0.00 O ATOM 639 OD2 ASP A 41 -4.130 -7.497 4.405 1.00 0.00 O ATOM 0 H ASP A 41 -4.547 -8.324 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.018 -7.375 2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.232 -8.181 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.332 -6.601 2.209 1.00 0.00 H new ATOM 644 N LYS A 42 -5.577 -4.881 1.538 1.00 0.00 N ATOM 645 CA LYS A 42 -5.597 -3.477 1.038 1.00 0.00 C ATOM 646 C LYS A 42 -4.210 -2.847 1.181 1.00 0.00 C ATOM 647 O LYS A 42 -3.384 -3.298 1.949 1.00 0.00 O ATOM 648 CB LYS A 42 -6.610 -2.671 1.849 1.00 0.00 C ATOM 649 CG LYS A 42 -8.022 -2.984 1.352 1.00 0.00 C ATOM 650 CD LYS A 42 -9.027 -2.740 2.479 1.00 0.00 C ATOM 651 CE LYS A 42 -9.530 -4.081 3.016 1.00 0.00 C ATOM 652 NZ LYS A 42 -10.452 -3.843 4.161 1.00 0.00 N ATOM 0 H LYS A 42 -5.899 -5.003 2.498 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.879 -3.474 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.522 -2.916 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.406 -1.605 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.264 -2.358 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.080 -4.020 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.559 -2.168 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.864 -2.147 2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.046 -4.630 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.688 -4.696 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.794 -4.755 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.946 -3.336 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.261 -3.272 3.843 1.00 0.00 H new ATOM 666 N LEU A 43 -3.944 -1.818 0.422 1.00 0.00 N ATOM 667 CA LEU A 43 -2.612 -1.162 0.476 1.00 0.00 C ATOM 668 C LEU A 43 -2.762 0.357 0.363 1.00 0.00 C ATOM 669 O LEU A 43 -3.521 0.857 -0.448 1.00 0.00 O ATOM 670 CB LEU A 43 -1.781 -1.660 -0.697 1.00 0.00 C ATOM 671 CG LEU A 43 -0.561 -2.427 -0.190 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.454 -2.518 -1.314 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.077 -1.701 0.999 1.00 0.00 C ATOM 0 H LEU A 43 -4.601 -1.402 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.130 -1.402 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.387 -2.305 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.461 -0.817 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.872 -3.421 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.332 -3.063 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.012 -3.042 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.748 -1.514 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.944 -2.263 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.390 -0.704 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.649 -1.619 1.808 1.00 0.00 H new ATOM 685 N THR A 44 -2.047 1.093 1.170 1.00 0.00 N ATOM 686 CA THR A 44 -2.140 2.573 1.119 1.00 0.00 C ATOM 687 C THR A 44 -1.459 3.108 -0.138 1.00 0.00 C ATOM 688 O THR A 44 -0.300 2.849 -0.388 1.00 0.00 O ATOM 689 CB THR A 44 -1.437 3.174 2.343 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.384 3.360 3.385 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.809 4.526 1.969 1.00 0.00 C ATOM 0 H THR A 44 -1.399 0.726 1.866 1.00 0.00 H new ATOM 0 HA THR A 44 -3.194 2.851 1.109 1.00 0.00 H new ATOM 0 HB THR A 44 -0.653 2.496 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.937 3.742 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.311 4.949 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.082 4.381 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.589 5.208 1.630 1.00 0.00 H new ATOM 699 N LEU A 45 -2.157 3.893 -0.906 1.00 0.00 N ATOM 700 CA LEU A 45 -1.538 4.493 -2.115 1.00 0.00 C ATOM 701 C LEU A 45 -1.555 6.007 -1.932 1.00 0.00 C ATOM 702 O LEU A 45 -2.046 6.736 -2.772 1.00 0.00 O ATOM 703 CB LEU A 45 -2.327 4.133 -3.379 1.00 0.00 C ATOM 704 CG LEU A 45 -1.797 2.844 -4.001 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.869 2.282 -4.924 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.544 3.140 -4.826 1.00 0.00 C ATOM 0 H LEU A 45 -3.133 4.145 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.523 4.112 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.382 4.016 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.256 4.946 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.550 2.131 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.510 1.359 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.772 2.076 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.094 3.008 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.172 2.215 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.789 3.847 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.223 3.569 -4.181 1.00 0.00 H new ATOM 718 N PHE A 46 -1.006 6.489 -0.838 1.00 0.00 N ATOM 719 CA PHE A 46 -0.966 7.964 -0.607 1.00 0.00 C ATOM 720 C PHE A 46 -0.328 8.612 -1.827 1.00 0.00 C ATOM 721 O PHE A 46 -0.536 9.775 -2.114 1.00 0.00 O ATOM 722 CB PHE A 46 -0.116 8.273 0.628 1.00 0.00 C ATOM 723 CG PHE A 46 -0.993 8.428 1.845 1.00 0.00 C ATOM 724 CD1 PHE A 46 -2.211 9.113 1.757 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.580 7.886 3.068 1.00 0.00 C ATOM 726 CE1 PHE A 46 -3.017 9.256 2.894 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.384 8.029 4.204 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.603 8.712 4.117 1.00 0.00 C ATOM 0 H PHE A 46 -0.587 5.923 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.974 8.347 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.605 7.472 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.455 9.187 0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.529 9.531 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.359 7.357 3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.956 9.785 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.064 7.613 5.148 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.225 8.820 4.993 1.00 0.00 H new ATOM 738 N VAL A 47 0.449 7.837 -2.535 1.00 0.00 N ATOM 739 CA VAL A 47 1.136 8.307 -3.756 1.00 0.00 C ATOM 740 C VAL A 47 0.223 9.239 -4.551 1.00 0.00 C ATOM 741 O VAL A 47 -0.957 8.989 -4.711 1.00 0.00 O ATOM 742 CB VAL A 47 1.485 7.072 -4.594 1.00 0.00 C ATOM 743 CG1 VAL A 47 2.751 6.420 -4.059 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.360 6.035 -4.515 1.00 0.00 C ATOM 0 H VAL A 47 0.637 6.862 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 47 2.037 8.862 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 47 1.626 7.397 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.991 5.543 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.576 7.131 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.595 6.118 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.624 5.165 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.218 5.731 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.564 6.471 -4.895 1.00 0.00 H new ATOM 754 N LYS A 48 0.759 10.317 -5.052 1.00 0.00 N ATOM 755 CA LYS A 48 -0.074 11.269 -5.835 1.00 0.00 C ATOM 756 C LYS A 48 0.182 11.052 -7.327 1.00 0.00 C ATOM 757 O LYS A 48 1.335 10.910 -7.695 1.00 0.00 O ATOM 758 CB LYS A 48 0.296 12.704 -5.450 1.00 0.00 C ATOM 759 CG LYS A 48 -0.311 13.037 -4.085 1.00 0.00 C ATOM 760 CD LYS A 48 0.654 13.925 -3.299 1.00 0.00 C ATOM 761 CE LYS A 48 0.712 13.453 -1.843 1.00 0.00 C ATOM 762 NZ LYS A 48 -0.433 14.035 -1.086 1.00 0.00 N ATOM 763 OXT LYS A 48 -0.782 11.028 -8.075 1.00 0.00 O ATOM 0 H LYS A 48 1.740 10.579 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.129 11.100 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.380 12.815 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.072 13.401 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.266 13.546 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.511 12.120 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.648 13.885 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.327 14.964 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.674 12.364 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.655 13.757 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.394 13.715 -0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.377 15.073 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.327 13.724 -1.516 1.00 0.00 H new TER 777 LYS A 48