USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 9 LYS NZ :NH3+ -147:sc= 0.275 (180deg=-0.781!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0.575 USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.407) USER MOD Single : A 1 MET N :NH3+ -114:sc= 1.27 (180deg=-0.642) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -0.255 (180deg=-1.82!) USER MOD Single : A 13 TYR OH : rot 140:sc= -0.34 USER MOD Single : A 15 MET CE :methyl -131:sc= 0 (180deg=-0.583) USER MOD Single : A 22 SER OG : rot -47:sc= 0.256 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -168:sc=-0.00908 USER MOD Single : A 41 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.97!) USER MOD Single : A 43 MET CE :methyl 173:sc=-0.000394 (180deg=-0.0573) USER MOD Single : A 44 ASN : amide:sc= 0.632 X(o=0.63,f=0.25) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= -0.0137 (180deg=-0.114) USER MOD Single : A 49 MET CE :methyl -125:sc= -1.65 (180deg=-3.06!) USER MOD Single : A 56 MET CE :methyl 169:sc= -2.97 (180deg=-3.71!) USER MOD Single : A 59 SER OG : rot 180:sc= -1.35 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00222 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.000723 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.154 K(o=0.15,f=-3!) USER MOD Single : A 77 SER OG : rot -11:sc= 0.19 USER MOD Single : A 79 THR OG1 : rot -127:sc= 1.12 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -112:sc= -0.272 (180deg=-1.93!) USER MOD Single : A 87 SER OG : rot -80:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.384 11.640 -0.755 1.00 54.20 N ATOM 2 CA MET A 1 5.045 12.671 -1.767 1.00 10.33 C ATOM 3 C MET A 1 3.576 13.112 -1.553 1.00 51.43 C ATOM 4 O MET A 1 2.899 12.581 -0.656 1.00 73.54 O ATOM 5 CB MET A 1 5.311 12.095 -3.199 1.00 15.24 C ATOM 6 CG MET A 1 5.439 13.139 -4.314 1.00 75.50 C ATOM 7 SD MET A 1 5.824 12.392 -5.914 1.00 43.35 S ATOM 8 CE MET A 1 5.952 13.839 -6.967 1.00 5.15 C ATOM 0 H1 MET A 1 6.106 12.014 -0.107 1.00 54.20 H new ATOM 0 H2 MET A 1 4.531 11.389 -0.216 1.00 54.20 H new ATOM 0 H3 MET A 1 5.753 10.793 -1.232 1.00 54.20 H new ATOM 0 HA MET A 1 5.672 13.556 -1.660 1.00 10.33 H new ATOM 0 HB2 MET A 1 6.227 11.505 -3.170 1.00 15.24 H new ATOM 0 HB3 MET A 1 4.500 11.413 -3.454 1.00 15.24 H new ATOM 0 HG2 MET A 1 4.507 13.700 -4.392 1.00 75.50 H new ATOM 0 HG3 MET A 1 6.220 13.853 -4.052 1.00 75.50 H new ATOM 0 HE1 MET A 1 5.640 13.581 -7.979 1.00 5.15 H new ATOM 0 HE2 MET A 1 5.309 14.629 -6.579 1.00 5.15 H new ATOM 0 HE3 MET A 1 6.985 14.187 -6.984 1.00 5.15 H new ATOM 20 N ASP A 2 3.088 14.088 -2.356 1.00 11.43 N ATOM 21 CA ASP A 2 1.706 14.624 -2.259 1.00 62.31 C ATOM 22 C ASP A 2 0.679 13.506 -2.579 1.00 24.35 C ATOM 23 O ASP A 2 1.011 12.552 -3.302 1.00 22.11 O ATOM 24 CB ASP A 2 1.543 15.853 -3.212 1.00 73.32 C ATOM 25 CG ASP A 2 0.408 16.817 -2.799 1.00 43.33 C ATOM 26 OD1 ASP A 2 -0.776 16.467 -2.954 1.00 4.32 O ATOM 27 OD2 ASP A 2 0.702 17.923 -2.286 1.00 24.12 O ATOM 0 H ASP A 2 3.642 14.528 -3.091 1.00 11.43 H new ATOM 0 HA ASP A 2 1.516 14.965 -1.241 1.00 62.31 H new ATOM 0 HB2 ASP A 2 2.483 16.405 -3.242 1.00 73.32 H new ATOM 0 HB3 ASP A 2 1.352 15.494 -4.223 1.00 73.32 H new ATOM 32 N GLY A 3 -0.558 13.691 -2.075 1.00 21.13 N ATOM 33 CA GLY A 3 -1.599 12.659 -1.993 1.00 0.30 C ATOM 34 C GLY A 3 -1.747 11.748 -3.214 1.00 33.40 C ATOM 35 O GLY A 3 -1.594 10.541 -3.090 1.00 35.32 O ATOM 0 H GLY A 3 -0.864 14.591 -1.704 1.00 21.13 H new ATOM 0 HA2 GLY A 3 -1.395 12.035 -1.123 1.00 0.30 H new ATOM 0 HA3 GLY A 3 -2.555 13.151 -1.815 1.00 0.30 H new ATOM 39 N GLU A 4 -1.997 12.324 -4.400 1.00 13.52 N ATOM 40 CA GLU A 4 -2.340 11.539 -5.608 1.00 22.44 C ATOM 41 C GLU A 4 -1.107 10.955 -6.314 1.00 42.34 C ATOM 42 O GLU A 4 -1.184 9.868 -6.902 1.00 41.25 O ATOM 43 CB GLU A 4 -3.192 12.394 -6.581 1.00 54.02 C ATOM 44 CG GLU A 4 -4.580 12.760 -6.020 1.00 3.54 C ATOM 45 CD GLU A 4 -5.381 13.696 -6.945 1.00 21.40 C ATOM 46 OE1 GLU A 4 -5.163 14.933 -6.883 1.00 75.52 O ATOM 47 OE2 GLU A 4 -6.219 13.202 -7.744 1.00 2.21 O ATOM 0 H GLU A 4 -1.969 13.332 -4.554 1.00 13.52 H new ATOM 0 HA GLU A 4 -2.930 10.685 -5.277 1.00 22.44 H new ATOM 0 HB2 GLU A 4 -2.651 13.310 -6.817 1.00 54.02 H new ATOM 0 HB3 GLU A 4 -3.319 11.849 -7.516 1.00 54.02 H new ATOM 0 HG2 GLU A 4 -5.151 11.846 -5.856 1.00 3.54 H new ATOM 0 HG3 GLU A 4 -4.457 13.238 -5.048 1.00 3.54 H new ATOM 54 N GLU A 5 0.029 11.652 -6.230 1.00 54.13 N ATOM 55 CA GLU A 5 1.257 11.256 -6.951 1.00 52.11 C ATOM 56 C GLU A 5 1.917 10.064 -6.249 1.00 53.02 C ATOM 57 O GLU A 5 2.454 9.170 -6.914 1.00 60.42 O ATOM 58 CB GLU A 5 2.265 12.451 -7.155 1.00 52.32 C ATOM 59 CG GLU A 5 2.093 13.681 -6.228 1.00 25.03 C ATOM 60 CD GLU A 5 0.955 14.645 -6.644 1.00 11.44 C ATOM 61 OE1 GLU A 5 -0.211 14.430 -6.247 1.00 14.50 O ATOM 62 OE2 GLU A 5 1.222 15.623 -7.380 1.00 5.03 O ATOM 0 H GLU A 5 0.131 12.498 -5.669 1.00 54.13 H new ATOM 0 HA GLU A 5 0.963 10.951 -7.955 1.00 52.11 H new ATOM 0 HB2 GLU A 5 3.277 12.067 -7.025 1.00 52.32 H new ATOM 0 HB3 GLU A 5 2.184 12.791 -8.188 1.00 52.32 H new ATOM 0 HG2 GLU A 5 1.903 13.331 -5.213 1.00 25.03 H new ATOM 0 HG3 GLU A 5 3.031 14.236 -6.204 1.00 25.03 H new ATOM 69 N VAL A 6 1.822 10.021 -4.908 1.00 53.14 N ATOM 70 CA VAL A 6 2.446 8.956 -4.119 1.00 45.50 C ATOM 71 C VAL A 6 1.668 7.631 -4.262 1.00 60.10 C ATOM 72 O VAL A 6 2.273 6.567 -4.212 1.00 72.24 O ATOM 73 CB VAL A 6 2.599 9.362 -2.608 1.00 33.25 C ATOM 74 CG1 VAL A 6 1.240 9.517 -1.884 1.00 75.04 C ATOM 75 CG2 VAL A 6 3.511 8.375 -1.861 1.00 34.10 C ATOM 0 H VAL A 6 1.319 10.713 -4.353 1.00 53.14 H new ATOM 0 HA VAL A 6 3.449 8.803 -4.517 1.00 45.50 H new ATOM 0 HB VAL A 6 3.069 10.345 -2.599 1.00 33.25 H new ATOM 0 HG11 VAL A 6 1.411 9.798 -0.845 1.00 75.04 H new ATOM 0 HG12 VAL A 6 0.651 10.291 -2.377 1.00 75.04 H new ATOM 0 HG13 VAL A 6 0.699 8.572 -1.920 1.00 75.04 H new ATOM 0 HG21 VAL A 6 3.600 8.679 -0.818 1.00 34.10 H new ATOM 0 HG22 VAL A 6 3.083 7.374 -1.912 1.00 34.10 H new ATOM 0 HG23 VAL A 6 4.498 8.371 -2.323 1.00 34.10 H new ATOM 85 N LYS A 7 0.342 7.727 -4.501 1.00 54.03 N ATOM 86 CA LYS A 7 -0.564 6.560 -4.583 1.00 22.32 C ATOM 87 C LYS A 7 -0.087 5.513 -5.617 1.00 61.45 C ATOM 88 O LYS A 7 0.167 4.347 -5.261 1.00 11.55 O ATOM 89 CB LYS A 7 -2.024 7.019 -4.893 1.00 61.41 C ATOM 90 CG LYS A 7 -2.747 7.750 -3.740 1.00 40.52 C ATOM 91 CD LYS A 7 -4.284 7.911 -3.964 1.00 23.22 C ATOM 92 CE LYS A 7 -4.680 8.815 -5.150 1.00 50.44 C ATOM 93 NZ LYS A 7 -4.366 8.257 -6.493 1.00 1.34 N ATOM 0 H LYS A 7 -0.132 8.619 -4.643 1.00 54.03 H new ATOM 0 HA LYS A 7 -0.547 6.073 -3.608 1.00 22.32 H new ATOM 0 HB2 LYS A 7 -2.003 7.677 -5.762 1.00 61.41 H new ATOM 0 HB3 LYS A 7 -2.611 6.143 -5.170 1.00 61.41 H new ATOM 0 HG2 LYS A 7 -2.579 7.202 -2.813 1.00 40.52 H new ATOM 0 HG3 LYS A 7 -2.302 8.737 -3.612 1.00 40.52 H new ATOM 0 HD2 LYS A 7 -4.719 6.923 -4.119 1.00 23.22 H new ATOM 0 HD3 LYS A 7 -4.728 8.316 -3.054 1.00 23.22 H new ATOM 0 HE2 LYS A 7 -5.750 9.013 -5.096 1.00 50.44 H new ATOM 0 HE3 LYS A 7 -4.173 9.774 -5.043 1.00 50.44 H new ATOM 0 HZ1 LYS A 7 -5.113 8.526 -7.164 1.00 1.34 H new ATOM 0 HZ2 LYS A 7 -3.454 8.634 -6.821 1.00 1.34 H new ATOM 0 HZ3 LYS A 7 -4.311 7.220 -6.434 1.00 1.34 H new ATOM 107 N GLU A 8 0.039 5.936 -6.886 1.00 4.41 N ATOM 108 CA GLU A 8 0.498 5.063 -7.990 1.00 62.15 C ATOM 109 C GLU A 8 1.930 4.551 -7.735 1.00 34.52 C ATOM 110 O GLU A 8 2.272 3.437 -8.112 1.00 11.11 O ATOM 111 CB GLU A 8 0.432 5.823 -9.339 1.00 62.05 C ATOM 112 CG GLU A 8 1.229 7.145 -9.366 1.00 73.42 C ATOM 113 CD GLU A 8 1.203 7.841 -10.738 1.00 25.34 C ATOM 114 OE1 GLU A 8 2.065 7.541 -11.593 1.00 50.14 O ATOM 115 OE2 GLU A 8 0.320 8.695 -10.971 1.00 21.22 O ATOM 0 H GLU A 8 -0.173 6.890 -7.179 1.00 4.41 H new ATOM 0 HA GLU A 8 -0.166 4.200 -8.037 1.00 62.15 H new ATOM 0 HB2 GLU A 8 0.807 5.171 -10.128 1.00 62.05 H new ATOM 0 HB3 GLU A 8 -0.611 6.037 -9.571 1.00 62.05 H new ATOM 0 HG2 GLU A 8 0.823 7.822 -8.615 1.00 73.42 H new ATOM 0 HG3 GLU A 8 2.263 6.944 -9.088 1.00 73.42 H new ATOM 122 N LYS A 9 2.733 5.392 -7.066 1.00 40.44 N ATOM 123 CA LYS A 9 4.143 5.153 -6.769 1.00 12.23 C ATOM 124 C LYS A 9 4.323 4.038 -5.710 1.00 52.14 C ATOM 125 O LYS A 9 5.345 3.338 -5.701 1.00 54.00 O ATOM 126 CB LYS A 9 4.756 6.502 -6.311 1.00 64.44 C ATOM 127 CG LYS A 9 6.267 6.615 -6.501 1.00 44.14 C ATOM 128 CD LYS A 9 6.816 7.984 -6.044 1.00 23.04 C ATOM 129 CE LYS A 9 6.558 8.248 -4.562 1.00 12.21 C ATOM 130 NZ LYS A 9 7.216 7.235 -3.701 1.00 41.32 N ATOM 0 H LYS A 9 2.401 6.287 -6.707 1.00 40.44 H new ATOM 0 HA LYS A 9 4.663 4.794 -7.657 1.00 12.23 H new ATOM 0 HB2 LYS A 9 4.273 7.310 -6.861 1.00 64.44 H new ATOM 0 HB3 LYS A 9 4.524 6.651 -5.256 1.00 64.44 H new ATOM 0 HG2 LYS A 9 6.762 5.822 -5.940 1.00 44.14 H new ATOM 0 HG3 LYS A 9 6.511 6.461 -7.552 1.00 44.14 H new ATOM 0 HD2 LYS A 9 7.888 8.025 -6.237 1.00 23.04 H new ATOM 0 HD3 LYS A 9 6.355 8.774 -6.637 1.00 23.04 H new ATOM 0 HE2 LYS A 9 6.924 9.241 -4.300 1.00 12.21 H new ATOM 0 HE3 LYS A 9 5.484 8.244 -4.373 1.00 12.21 H new ATOM 0 HZ1 LYS A 9 6.637 7.071 -2.853 1.00 41.32 H new ATOM 0 HZ2 LYS A 9 7.318 6.344 -4.228 1.00 41.32 H new ATOM 0 HZ3 LYS A 9 8.156 7.578 -3.417 1.00 41.32 H new ATOM 144 N ILE A 10 3.307 3.874 -4.835 1.00 3.44 N ATOM 145 CA ILE A 10 3.240 2.748 -3.881 1.00 42.14 C ATOM 146 C ILE A 10 3.007 1.442 -4.672 1.00 1.43 C ATOM 147 O ILE A 10 3.639 0.416 -4.419 1.00 24.24 O ATOM 148 CB ILE A 10 2.081 2.936 -2.824 1.00 70.02 C ATOM 149 CG1 ILE A 10 2.187 4.296 -2.067 1.00 24.21 C ATOM 150 CG2 ILE A 10 2.029 1.776 -1.807 1.00 2.11 C ATOM 151 CD1 ILE A 10 3.492 4.530 -1.319 1.00 32.02 C ATOM 0 H ILE A 10 2.516 4.514 -4.771 1.00 3.44 H new ATOM 0 HA ILE A 10 4.181 2.708 -3.333 1.00 42.14 H new ATOM 0 HB ILE A 10 1.154 2.935 -3.397 1.00 70.02 H new ATOM 0 HG12 ILE A 10 2.051 5.104 -2.786 1.00 24.21 H new ATOM 0 HG13 ILE A 10 1.364 4.361 -1.355 1.00 24.21 H new ATOM 0 HG21 ILE A 10 1.217 1.948 -1.100 1.00 2.11 H new ATOM 0 HG22 ILE A 10 1.858 0.837 -2.334 1.00 2.11 H new ATOM 0 HG23 ILE A 10 2.975 1.722 -1.268 1.00 2.11 H new ATOM 0 HD11 ILE A 10 3.461 5.503 -0.829 1.00 32.02 H new ATOM 0 HD12 ILE A 10 3.627 3.750 -0.569 1.00 32.02 H new ATOM 0 HD13 ILE A 10 4.324 4.505 -2.022 1.00 32.02 H new ATOM 163 N ARG A 11 2.090 1.524 -5.653 1.00 3.33 N ATOM 164 CA ARG A 11 1.742 0.395 -6.545 1.00 1.45 C ATOM 165 C ARG A 11 2.835 0.098 -7.571 1.00 43.15 C ATOM 166 O ARG A 11 2.908 -1.021 -8.084 1.00 61.34 O ATOM 167 CB ARG A 11 0.396 0.661 -7.245 1.00 42.13 C ATOM 168 CG ARG A 11 -0.806 0.565 -6.301 1.00 13.24 C ATOM 169 CD ARG A 11 -0.977 -0.839 -5.702 1.00 62.21 C ATOM 170 NE ARG A 11 -1.871 -0.865 -4.538 1.00 55.22 N ATOM 171 CZ ARG A 11 -1.522 -0.539 -3.280 1.00 22.22 C ATOM 172 NH1 ARG A 11 -0.302 -0.106 -2.990 1.00 13.22 N ATOM 173 NH2 ARG A 11 -2.382 -0.744 -2.301 1.00 63.41 N ATOM 0 H ARG A 11 1.566 2.376 -5.853 1.00 3.33 H new ATOM 0 HA ARG A 11 1.651 -0.492 -5.918 1.00 1.45 H new ATOM 0 HB2 ARG A 11 0.418 1.654 -7.695 1.00 42.13 H new ATOM 0 HB3 ARG A 11 0.269 -0.054 -8.058 1.00 42.13 H new ATOM 0 HG2 ARG A 11 -0.688 1.288 -5.494 1.00 13.24 H new ATOM 0 HG3 ARG A 11 -1.712 0.837 -6.843 1.00 13.24 H new ATOM 0 HD2 ARG A 11 -1.368 -1.509 -6.468 1.00 62.21 H new ATOM 0 HD3 ARG A 11 0.000 -1.224 -5.411 1.00 62.21 H new ATOM 0 HE ARG A 11 -2.836 -1.154 -4.696 1.00 55.22 H new ATOM 0 HH11 ARG A 11 0.395 -0.014 -3.729 1.00 13.22 H new ATOM 0 HH12 ARG A 11 -0.062 0.135 -2.028 1.00 13.22 H new ATOM 0 HH21 ARG A 11 -3.298 -1.145 -2.502 1.00 63.41 H new ATOM 0 HH22 ARG A 11 -2.131 -0.502 -1.343 1.00 63.41 H new ATOM 187 N ARG A 12 3.663 1.101 -7.870 1.00 32.32 N ATOM 188 CA ARG A 12 4.813 0.940 -8.769 1.00 32.20 C ATOM 189 C ARG A 12 5.872 0.090 -8.100 1.00 73.11 C ATOM 190 O ARG A 12 6.443 -0.800 -8.714 1.00 20.33 O ATOM 191 CB ARG A 12 5.391 2.317 -9.196 1.00 44.05 C ATOM 192 CG ARG A 12 4.588 3.032 -10.313 1.00 1.42 C ATOM 193 CD ARG A 12 4.265 2.090 -11.480 1.00 40.21 C ATOM 194 NE ARG A 12 3.654 2.769 -12.632 1.00 32.33 N ATOM 195 CZ ARG A 12 3.829 2.396 -13.904 1.00 42.33 C ATOM 196 NH1 ARG A 12 4.617 1.374 -14.199 1.00 1.42 N ATOM 197 NH2 ARG A 12 3.215 3.047 -14.883 1.00 51.23 N ATOM 0 H ARG A 12 3.558 2.045 -7.499 1.00 32.32 H new ATOM 0 HA ARG A 12 4.478 0.435 -9.675 1.00 32.20 H new ATOM 0 HB2 ARG A 12 5.431 2.967 -8.322 1.00 44.05 H new ATOM 0 HB3 ARG A 12 6.417 2.177 -9.536 1.00 44.05 H new ATOM 0 HG2 ARG A 12 3.661 3.426 -9.897 1.00 1.42 H new ATOM 0 HG3 ARG A 12 5.159 3.884 -10.682 1.00 1.42 H new ATOM 0 HD2 ARG A 12 5.182 1.598 -11.803 1.00 40.21 H new ATOM 0 HD3 ARG A 12 3.591 1.309 -11.130 1.00 40.21 H new ATOM 0 HE ARG A 12 3.058 3.577 -12.449 1.00 32.33 H new ATOM 0 HH11 ARG A 12 5.094 0.867 -13.454 1.00 1.42 H new ATOM 0 HH12 ARG A 12 4.747 1.094 -15.171 1.00 1.42 H new ATOM 0 HH21 ARG A 12 2.606 3.836 -14.667 1.00 51.23 H new ATOM 0 HH22 ARG A 12 3.352 2.758 -15.852 1.00 51.23 H new ATOM 211 N TYR A 13 6.091 0.379 -6.823 1.00 54.24 N ATOM 212 CA TYR A 13 6.956 -0.418 -5.957 1.00 34.14 C ATOM 213 C TYR A 13 6.471 -1.887 -5.883 1.00 32.55 C ATOM 214 O TYR A 13 7.275 -2.811 -5.999 1.00 51.43 O ATOM 215 CB TYR A 13 6.993 0.239 -4.566 1.00 11.22 C ATOM 216 CG TYR A 13 7.826 -0.507 -3.514 1.00 51.42 C ATOM 217 CD1 TYR A 13 9.210 -0.644 -3.661 1.00 23.34 C ATOM 218 CD2 TYR A 13 7.241 -1.038 -2.365 1.00 34.15 C ATOM 219 CE1 TYR A 13 9.971 -1.280 -2.708 1.00 41.04 C ATOM 220 CE2 TYR A 13 8.000 -1.676 -1.413 1.00 64.10 C ATOM 221 CZ TYR A 13 9.364 -1.794 -1.586 1.00 33.04 C ATOM 222 OH TYR A 13 10.123 -2.427 -0.626 1.00 61.13 O ATOM 0 H TYR A 13 5.670 1.181 -6.353 1.00 54.24 H new ATOM 0 HA TYR A 13 7.965 -0.446 -6.368 1.00 34.14 H new ATOM 0 HB2 TYR A 13 7.388 1.250 -4.669 1.00 11.22 H new ATOM 0 HB3 TYR A 13 5.971 0.332 -4.198 1.00 11.22 H new ATOM 0 HD1 TYR A 13 9.691 -0.242 -4.541 1.00 23.34 H new ATOM 0 HD2 TYR A 13 6.175 -0.947 -2.221 1.00 34.15 H new ATOM 0 HE1 TYR A 13 11.039 -1.375 -2.840 1.00 41.04 H new ATOM 0 HE2 TYR A 13 7.529 -2.084 -0.531 1.00 64.10 H new ATOM 0 HH TYR A 13 9.799 -2.177 0.264 1.00 61.13 H new ATOM 232 N ILE A 14 5.149 -2.081 -5.713 1.00 13.34 N ATOM 233 CA ILE A 14 4.532 -3.417 -5.651 1.00 72.11 C ATOM 234 C ILE A 14 4.791 -4.213 -6.932 1.00 45.54 C ATOM 235 O ILE A 14 5.444 -5.251 -6.898 1.00 52.42 O ATOM 236 CB ILE A 14 2.987 -3.323 -5.372 1.00 52.22 C ATOM 237 CG1 ILE A 14 2.748 -2.739 -3.950 1.00 32.41 C ATOM 238 CG2 ILE A 14 2.294 -4.700 -5.531 1.00 12.42 C ATOM 239 CD1 ILE A 14 1.317 -2.796 -3.469 1.00 14.12 C ATOM 0 H ILE A 14 4.481 -1.316 -5.615 1.00 13.34 H new ATOM 0 HA ILE A 14 4.999 -3.946 -4.820 1.00 72.11 H new ATOM 0 HB ILE A 14 2.543 -2.656 -6.110 1.00 52.22 H new ATOM 0 HG12 ILE A 14 3.376 -3.280 -3.241 1.00 32.41 H new ATOM 0 HG13 ILE A 14 3.078 -1.700 -3.940 1.00 32.41 H new ATOM 0 HG21 ILE A 14 1.228 -4.596 -5.331 1.00 12.42 H new ATOM 0 HG22 ILE A 14 2.438 -5.065 -6.548 1.00 12.42 H new ATOM 0 HG23 ILE A 14 2.728 -5.409 -4.826 1.00 12.42 H new ATOM 0 HD11 ILE A 14 1.252 -2.366 -2.469 1.00 14.12 H new ATOM 0 HD12 ILE A 14 0.681 -2.230 -4.150 1.00 14.12 H new ATOM 0 HD13 ILE A 14 0.984 -3.833 -3.440 1.00 14.12 H new ATOM 251 N MET A 15 4.301 -3.701 -8.054 1.00 20.04 N ATOM 252 CA MET A 15 4.317 -4.432 -9.324 1.00 10.31 C ATOM 253 C MET A 15 5.757 -4.632 -9.837 1.00 33.42 C ATOM 254 O MET A 15 6.138 -5.749 -10.177 1.00 51.41 O ATOM 255 CB MET A 15 3.409 -3.711 -10.352 1.00 11.12 C ATOM 256 CG MET A 15 1.933 -3.625 -9.912 1.00 24.13 C ATOM 257 SD MET A 15 1.163 -5.242 -9.659 1.00 13.10 S ATOM 258 CE MET A 15 1.091 -5.866 -11.335 1.00 2.52 C ATOM 0 H MET A 15 3.882 -2.773 -8.114 1.00 20.04 H new ATOM 0 HA MET A 15 3.913 -5.432 -9.169 1.00 10.31 H new ATOM 0 HB2 MET A 15 3.790 -2.703 -10.518 1.00 11.12 H new ATOM 0 HB3 MET A 15 3.466 -4.235 -11.306 1.00 11.12 H new ATOM 0 HG2 MET A 15 1.870 -3.052 -8.987 1.00 24.13 H new ATOM 0 HG3 MET A 15 1.368 -3.076 -10.666 1.00 24.13 H new ATOM 0 HE1 MET A 15 0.088 -6.240 -11.541 1.00 2.52 H new ATOM 0 HE2 MET A 15 1.329 -5.063 -12.033 1.00 2.52 H new ATOM 0 HE3 MET A 15 1.812 -6.675 -11.453 1.00 2.52 H new ATOM 268 N GLU A 16 6.571 -3.570 -9.818 1.00 3.23 N ATOM 269 CA GLU A 16 7.931 -3.608 -10.392 1.00 40.54 C ATOM 270 C GLU A 16 8.939 -4.362 -9.483 1.00 52.22 C ATOM 271 O GLU A 16 9.924 -4.899 -9.990 1.00 70.33 O ATOM 272 CB GLU A 16 8.426 -2.173 -10.706 1.00 61.14 C ATOM 273 CG GLU A 16 7.537 -1.396 -11.709 1.00 40.43 C ATOM 274 CD GLU A 16 8.091 -0.001 -12.063 1.00 61.42 C ATOM 275 OE1 GLU A 16 9.142 0.067 -12.734 1.00 5.44 O ATOM 276 OE2 GLU A 16 7.476 1.024 -11.691 1.00 23.45 O ATOM 0 H GLU A 16 6.315 -2.670 -9.412 1.00 3.23 H new ATOM 0 HA GLU A 16 7.874 -4.171 -11.324 1.00 40.54 H new ATOM 0 HB2 GLU A 16 8.481 -1.609 -9.775 1.00 61.14 H new ATOM 0 HB3 GLU A 16 9.439 -2.230 -11.105 1.00 61.14 H new ATOM 0 HG2 GLU A 16 7.436 -1.981 -12.623 1.00 40.43 H new ATOM 0 HG3 GLU A 16 6.538 -1.286 -11.288 1.00 40.43 H new ATOM 283 N ASP A 17 8.711 -4.407 -8.152 1.00 33.41 N ATOM 284 CA ASP A 17 9.612 -5.138 -7.217 1.00 35.32 C ATOM 285 C ASP A 17 8.949 -6.427 -6.705 1.00 5.35 C ATOM 286 O ASP A 17 9.431 -7.528 -6.982 1.00 30.03 O ATOM 287 CB ASP A 17 10.044 -4.245 -6.021 1.00 64.43 C ATOM 288 CG ASP A 17 10.782 -2.965 -6.454 1.00 12.34 C ATOM 289 OD1 ASP A 17 12.014 -3.025 -6.660 1.00 30.44 O ATOM 290 OD2 ASP A 17 10.144 -1.901 -6.593 1.00 73.24 O ATOM 0 H ASP A 17 7.919 -3.952 -7.698 1.00 33.41 H new ATOM 0 HA ASP A 17 10.507 -5.406 -7.778 1.00 35.32 H new ATOM 0 HB2 ASP A 17 9.161 -3.970 -5.444 1.00 64.43 H new ATOM 0 HB3 ASP A 17 10.690 -4.823 -5.360 1.00 64.43 H new ATOM 295 N LEU A 18 7.828 -6.278 -5.972 1.00 61.41 N ATOM 296 CA LEU A 18 7.171 -7.400 -5.242 1.00 73.44 C ATOM 297 C LEU A 18 6.593 -8.473 -6.201 1.00 34.32 C ATOM 298 O LEU A 18 6.534 -9.657 -5.847 1.00 45.20 O ATOM 299 CB LEU A 18 6.083 -6.864 -4.258 1.00 15.40 C ATOM 300 CG LEU A 18 6.599 -6.077 -2.991 1.00 51.21 C ATOM 301 CD1 LEU A 18 7.635 -6.895 -2.181 1.00 3.35 C ATOM 302 CD2 LEU A 18 7.175 -4.679 -3.335 1.00 24.54 C ATOM 0 H LEU A 18 7.348 -5.384 -5.864 1.00 61.41 H new ATOM 0 HA LEU A 18 7.944 -7.896 -4.655 1.00 73.44 H new ATOM 0 HB2 LEU A 18 5.413 -6.210 -4.815 1.00 15.40 H new ATOM 0 HB3 LEU A 18 5.489 -7.710 -3.914 1.00 15.40 H new ATOM 0 HG LEU A 18 5.716 -5.922 -2.370 1.00 51.21 H new ATOM 0 HD11 LEU A 18 7.963 -6.315 -1.318 1.00 3.35 H new ATOM 0 HD12 LEU A 18 7.179 -7.825 -1.841 1.00 3.35 H new ATOM 0 HD13 LEU A 18 8.494 -7.122 -2.813 1.00 3.35 H new ATOM 0 HD21 LEU A 18 7.512 -4.190 -2.421 1.00 24.54 H new ATOM 0 HD22 LEU A 18 8.016 -4.790 -4.019 1.00 24.54 H new ATOM 0 HD23 LEU A 18 6.402 -4.073 -3.807 1.00 24.54 H new ATOM 314 N ILE A 19 6.145 -8.049 -7.396 1.00 14.13 N ATOM 315 CA ILE A 19 5.801 -8.973 -8.508 1.00 2.21 C ATOM 316 C ILE A 19 7.084 -9.238 -9.321 1.00 74.50 C ATOM 317 O ILE A 19 7.461 -10.396 -9.537 1.00 55.31 O ATOM 318 CB ILE A 19 4.645 -8.407 -9.447 1.00 54.30 C ATOM 319 CG1 ILE A 19 3.244 -8.440 -8.754 1.00 13.42 C ATOM 320 CG2 ILE A 19 4.571 -9.149 -10.810 1.00 14.41 C ATOM 321 CD1 ILE A 19 3.099 -7.604 -7.508 1.00 71.34 C ATOM 0 H ILE A 19 6.009 -7.064 -7.624 1.00 14.13 H new ATOM 0 HA ILE A 19 5.412 -9.899 -8.084 1.00 2.21 H new ATOM 0 HB ILE A 19 4.911 -7.367 -9.636 1.00 54.30 H new ATOM 0 HG12 ILE A 19 2.497 -8.111 -9.476 1.00 13.42 H new ATOM 0 HG13 ILE A 19 3.011 -9.474 -8.502 1.00 13.42 H new ATOM 0 HG21 ILE A 19 3.767 -8.725 -11.412 1.00 14.41 H new ATOM 0 HG22 ILE A 19 5.518 -9.036 -11.338 1.00 14.41 H new ATOM 0 HG23 ILE A 19 4.376 -10.207 -10.638 1.00 14.41 H new ATOM 0 HD11 ILE A 19 2.087 -7.706 -7.117 1.00 71.34 H new ATOM 0 HD12 ILE A 19 3.814 -7.942 -6.758 1.00 71.34 H new ATOM 0 HD13 ILE A 19 3.292 -6.558 -7.747 1.00 71.34 H new ATOM 333 N GLY A 20 7.752 -8.150 -9.751 1.00 73.15 N ATOM 334 CA GLY A 20 9.009 -8.226 -10.524 1.00 44.41 C ATOM 335 C GLY A 20 8.936 -7.466 -11.853 1.00 32.51 C ATOM 336 O GLY A 20 8.007 -6.681 -12.065 1.00 71.24 O ATOM 0 H GLY A 20 7.437 -7.196 -9.573 1.00 73.15 H new ATOM 0 HA2 GLY A 20 9.824 -7.822 -9.924 1.00 44.41 H new ATOM 0 HA3 GLY A 20 9.246 -9.271 -10.721 1.00 44.41 H new ATOM 340 N PRO A 21 9.922 -7.684 -12.786 1.00 43.33 N ATOM 341 CA PRO A 21 9.973 -6.987 -14.104 1.00 53.14 C ATOM 342 C PRO A 21 8.908 -7.499 -15.103 1.00 41.55 C ATOM 343 O PRO A 21 8.636 -6.853 -16.120 1.00 54.30 O ATOM 344 CB PRO A 21 11.408 -7.291 -14.598 1.00 3.13 C ATOM 345 CG PRO A 21 11.731 -8.623 -14.002 1.00 4.32 C ATOM 346 CD PRO A 21 11.070 -8.628 -12.634 1.00 32.11 C ATOM 0 HA PRO A 21 9.754 -5.923 -14.017 1.00 53.14 H new ATOM 0 HB2 PRO A 21 11.456 -7.320 -15.687 1.00 3.13 H new ATOM 0 HB3 PRO A 21 12.112 -6.527 -14.269 1.00 3.13 H new ATOM 0 HG2 PRO A 21 11.351 -9.434 -14.624 1.00 4.32 H new ATOM 0 HG3 PRO A 21 12.809 -8.764 -13.918 1.00 4.32 H new ATOM 0 HD2 PRO A 21 10.732 -9.627 -12.357 1.00 32.11 H new ATOM 0 HD3 PRO A 21 11.759 -8.298 -11.856 1.00 32.11 H new ATOM 354 N SER A 22 8.316 -8.669 -14.805 1.00 4.33 N ATOM 355 CA SER A 22 7.206 -9.249 -15.585 1.00 24.50 C ATOM 356 C SER A 22 5.850 -8.803 -14.963 1.00 73.35 C ATOM 357 O SER A 22 4.857 -9.545 -14.974 1.00 32.51 O ATOM 358 CB SER A 22 7.376 -10.797 -15.616 1.00 52.00 C ATOM 359 OG SER A 22 6.433 -11.423 -16.471 1.00 33.42 O ATOM 0 H SER A 22 8.596 -9.244 -14.010 1.00 4.33 H new ATOM 0 HA SER A 22 7.217 -8.893 -16.615 1.00 24.50 H new ATOM 0 HB2 SER A 22 8.385 -11.043 -15.948 1.00 52.00 H new ATOM 0 HB3 SER A 22 7.267 -11.193 -14.606 1.00 52.00 H new ATOM 0 HG SER A 22 5.540 -11.058 -16.297 1.00 33.42 H new ATOM 365 N ALA A 23 5.838 -7.568 -14.424 1.00 53.31 N ATOM 366 CA ALA A 23 4.638 -6.920 -13.892 1.00 62.00 C ATOM 367 C ALA A 23 3.670 -6.555 -15.018 1.00 72.24 C ATOM 368 O ALA A 23 4.092 -6.056 -16.067 1.00 54.41 O ATOM 369 CB ALA A 23 5.034 -5.651 -13.138 1.00 64.33 C ATOM 0 H ALA A 23 6.676 -6.991 -14.348 1.00 53.31 H new ATOM 0 HA ALA A 23 4.142 -7.617 -13.217 1.00 62.00 H new ATOM 0 HB1 ALA A 23 4.140 -5.169 -12.742 1.00 64.33 H new ATOM 0 HB2 ALA A 23 5.701 -5.910 -12.316 1.00 64.33 H new ATOM 0 HB3 ALA A 23 5.544 -4.968 -13.818 1.00 64.33 H new ATOM 375 N LYS A 24 2.376 -6.805 -14.788 1.00 72.43 N ATOM 376 CA LYS A 24 1.306 -6.376 -15.691 1.00 1.22 C ATOM 377 C LYS A 24 0.743 -5.023 -15.217 1.00 44.21 C ATOM 378 O LYS A 24 0.001 -4.964 -14.230 1.00 45.15 O ATOM 379 CB LYS A 24 0.182 -7.431 -15.745 1.00 24.13 C ATOM 380 CG LYS A 24 0.618 -8.838 -16.204 1.00 3.31 C ATOM 381 CD LYS A 24 -0.586 -9.809 -16.305 1.00 14.42 C ATOM 382 CE LYS A 24 -0.196 -11.231 -16.759 1.00 40.11 C ATOM 383 NZ LYS A 24 -1.383 -12.108 -16.952 1.00 33.43 N ATOM 0 H LYS A 24 2.042 -7.312 -13.968 1.00 72.43 H new ATOM 0 HA LYS A 24 1.716 -6.265 -16.695 1.00 1.22 H new ATOM 0 HB2 LYS A 24 -0.265 -7.513 -14.754 1.00 24.13 H new ATOM 0 HB3 LYS A 24 -0.597 -7.073 -16.418 1.00 24.13 H new ATOM 0 HG2 LYS A 24 1.111 -8.768 -17.174 1.00 3.31 H new ATOM 0 HG3 LYS A 24 1.350 -9.238 -15.503 1.00 3.31 H new ATOM 0 HD2 LYS A 24 -1.077 -9.869 -15.333 1.00 14.42 H new ATOM 0 HD3 LYS A 24 -1.314 -9.400 -17.005 1.00 14.42 H new ATOM 0 HE2 LYS A 24 0.364 -11.171 -17.692 1.00 40.11 H new ATOM 0 HE3 LYS A 24 0.466 -11.678 -16.018 1.00 40.11 H new ATOM 0 HZ1 LYS A 24 -1.071 -13.052 -17.257 1.00 33.43 H new ATOM 0 HZ2 LYS A 24 -1.905 -12.188 -16.056 1.00 33.43 H new ATOM 0 HZ3 LYS A 24 -2.004 -11.697 -17.678 1.00 33.43 H new ATOM 397 N GLU A 25 1.123 -3.940 -15.917 1.00 15.24 N ATOM 398 CA GLU A 25 0.654 -2.563 -15.613 1.00 15.24 C ATOM 399 C GLU A 25 -0.864 -2.415 -15.864 1.00 33.41 C ATOM 400 O GLU A 25 -1.500 -1.494 -15.346 1.00 14.02 O ATOM 401 CB GLU A 25 1.436 -1.526 -16.463 1.00 75.33 C ATOM 402 CG GLU A 25 2.953 -1.513 -16.209 1.00 14.51 C ATOM 403 CD GLU A 25 3.702 -0.526 -17.127 1.00 52.42 C ATOM 404 OE1 GLU A 25 3.709 0.692 -16.832 1.00 15.20 O ATOM 405 OE2 GLU A 25 4.272 -0.960 -18.157 1.00 43.13 O ATOM 0 H GLU A 25 1.763 -3.987 -16.710 1.00 15.24 H new ATOM 0 HA GLU A 25 0.842 -2.375 -14.556 1.00 15.24 H new ATOM 0 HB2 GLU A 25 1.258 -1.731 -17.519 1.00 75.33 H new ATOM 0 HB3 GLU A 25 1.037 -0.532 -16.260 1.00 75.33 H new ATOM 0 HG2 GLU A 25 3.141 -1.249 -15.168 1.00 14.51 H new ATOM 0 HG3 GLU A 25 3.351 -2.516 -16.360 1.00 14.51 H new ATOM 412 N ASP A 26 -1.410 -3.334 -16.675 1.00 31.25 N ATOM 413 CA ASP A 26 -2.858 -3.442 -16.959 1.00 50.45 C ATOM 414 C ASP A 26 -3.628 -3.730 -15.661 1.00 22.52 C ATOM 415 O ASP A 26 -4.663 -3.121 -15.389 1.00 33.11 O ATOM 416 CB ASP A 26 -3.118 -4.582 -17.986 1.00 10.41 C ATOM 417 CG ASP A 26 -2.164 -4.528 -19.187 1.00 3.32 C ATOM 418 OD1 ASP A 26 -2.459 -3.814 -20.175 1.00 24.02 O ATOM 419 OD2 ASP A 26 -1.091 -5.170 -19.125 1.00 32.12 O ATOM 0 H ASP A 26 -0.853 -4.036 -17.162 1.00 31.25 H new ATOM 0 HA ASP A 26 -3.204 -2.498 -17.379 1.00 50.45 H new ATOM 0 HB2 ASP A 26 -3.013 -5.545 -17.487 1.00 10.41 H new ATOM 0 HB3 ASP A 26 -4.146 -4.517 -18.341 1.00 10.41 H new ATOM 424 N GLU A 27 -3.060 -4.648 -14.858 1.00 44.51 N ATOM 425 CA GLU A 27 -3.644 -5.090 -13.579 1.00 33.53 C ATOM 426 C GLU A 27 -3.584 -3.988 -12.505 1.00 2.13 C ATOM 427 O GLU A 27 -4.402 -3.973 -11.584 1.00 73.21 O ATOM 428 CB GLU A 27 -2.912 -6.360 -13.073 1.00 4.01 C ATOM 429 CG GLU A 27 -2.889 -7.551 -14.059 1.00 31.14 C ATOM 430 CD GLU A 27 -4.257 -7.949 -14.642 1.00 33.21 C ATOM 431 OE1 GLU A 27 -4.963 -8.786 -14.034 1.00 70.12 O ATOM 432 OE2 GLU A 27 -4.612 -7.456 -15.737 1.00 3.34 O ATOM 0 H GLU A 27 -2.177 -5.107 -15.080 1.00 44.51 H new ATOM 0 HA GLU A 27 -4.695 -5.318 -13.760 1.00 33.53 H new ATOM 0 HB2 GLU A 27 -1.884 -6.093 -12.829 1.00 4.01 H new ATOM 0 HB3 GLU A 27 -3.385 -6.686 -12.147 1.00 4.01 H new ATOM 0 HG2 GLU A 27 -2.219 -7.306 -14.883 1.00 31.14 H new ATOM 0 HG3 GLU A 27 -2.465 -8.416 -13.549 1.00 31.14 H new ATOM 439 N LEU A 28 -2.611 -3.073 -12.629 1.00 32.42 N ATOM 440 CA LEU A 28 -2.403 -1.988 -11.656 1.00 24.24 C ATOM 441 C LEU A 28 -3.569 -0.966 -11.738 1.00 70.31 C ATOM 442 O LEU A 28 -3.979 -0.569 -12.830 1.00 23.41 O ATOM 443 CB LEU A 28 -1.015 -1.324 -11.920 1.00 61.52 C ATOM 444 CG LEU A 28 -0.391 -0.475 -10.758 1.00 21.30 C ATOM 445 CD1 LEU A 28 1.112 -0.240 -10.990 1.00 14.34 C ATOM 446 CD2 LEU A 28 -1.109 0.882 -10.558 1.00 11.41 C ATOM 0 H LEU A 28 -1.948 -3.063 -13.404 1.00 32.42 H new ATOM 0 HA LEU A 28 -2.399 -2.386 -10.641 1.00 24.24 H new ATOM 0 HB2 LEU A 28 -0.308 -2.112 -12.179 1.00 61.52 H new ATOM 0 HB3 LEU A 28 -1.110 -0.680 -12.795 1.00 61.52 H new ATOM 0 HG LEU A 28 -0.529 -1.058 -9.847 1.00 21.30 H new ATOM 0 HD11 LEU A 28 1.519 0.351 -10.169 1.00 14.34 H new ATOM 0 HD12 LEU A 28 1.627 -1.199 -11.036 1.00 14.34 H new ATOM 0 HD13 LEU A 28 1.256 0.295 -11.929 1.00 14.34 H new ATOM 0 HD21 LEU A 28 -0.636 1.427 -9.741 1.00 11.41 H new ATOM 0 HD22 LEU A 28 -1.040 1.469 -11.474 1.00 11.41 H new ATOM 0 HD23 LEU A 28 -2.158 0.707 -10.317 1.00 11.41 H new ATOM 458 N ASP A 29 -4.086 -0.579 -10.556 1.00 35.25 N ATOM 459 CA ASP A 29 -5.146 0.454 -10.393 1.00 74.22 C ATOM 460 C ASP A 29 -5.285 0.794 -8.892 1.00 54.44 C ATOM 461 O ASP A 29 -4.681 0.112 -8.038 1.00 1.42 O ATOM 462 CB ASP A 29 -6.518 -0.019 -10.972 1.00 24.14 C ATOM 463 CG ASP A 29 -7.557 1.113 -11.140 1.00 32.32 C ATOM 464 OD1 ASP A 29 -7.426 1.926 -12.082 1.00 44.33 O ATOM 465 OD2 ASP A 29 -8.498 1.213 -10.319 1.00 75.45 O ATOM 0 H ASP A 29 -3.779 -0.977 -9.669 1.00 35.25 H new ATOM 0 HA ASP A 29 -4.853 1.341 -10.954 1.00 74.22 H new ATOM 0 HB2 ASP A 29 -6.349 -0.489 -11.941 1.00 24.14 H new ATOM 0 HB3 ASP A 29 -6.933 -0.784 -10.315 1.00 24.14 H new ATOM 470 N ASP A 30 -6.085 1.831 -8.577 1.00 31.45 N ATOM 471 CA ASP A 30 -6.391 2.212 -7.191 1.00 24.20 C ATOM 472 C ASP A 30 -7.384 1.224 -6.555 1.00 70.20 C ATOM 473 O ASP A 30 -7.210 0.798 -5.411 1.00 12.34 O ATOM 474 CB ASP A 30 -6.962 3.654 -7.097 1.00 43.13 C ATOM 475 CG ASP A 30 -6.007 4.733 -7.638 1.00 3.01 C ATOM 476 OD1 ASP A 30 -5.889 4.860 -8.877 1.00 10.34 O ATOM 477 OD2 ASP A 30 -5.384 5.458 -6.826 1.00 45.31 O ATOM 0 H ASP A 30 -6.534 2.424 -9.275 1.00 31.45 H new ATOM 0 HA ASP A 30 -5.450 2.181 -6.642 1.00 24.20 H new ATOM 0 HB2 ASP A 30 -7.900 3.701 -7.650 1.00 43.13 H new ATOM 0 HB3 ASP A 30 -7.195 3.876 -6.056 1.00 43.13 H new ATOM 482 N GLN A 31 -8.427 0.881 -7.317 1.00 15.44 N ATOM 483 CA GLN A 31 -9.520 -0.006 -6.853 1.00 70.43 C ATOM 484 C GLN A 31 -9.260 -1.478 -7.233 1.00 14.43 C ATOM 485 O GLN A 31 -10.167 -2.309 -7.133 1.00 64.52 O ATOM 486 CB GLN A 31 -10.871 0.506 -7.425 1.00 1.11 C ATOM 487 CG GLN A 31 -11.232 1.938 -6.978 1.00 33.23 C ATOM 488 CD GLN A 31 -12.574 2.422 -7.527 1.00 13.51 C ATOM 489 OE1 GLN A 31 -13.617 2.255 -6.889 1.00 4.34 O ATOM 490 NE2 GLN A 31 -12.559 3.023 -8.708 1.00 4.42 N ATOM 0 H GLN A 31 -8.546 1.207 -8.276 1.00 15.44 H new ATOM 0 HA GLN A 31 -9.563 0.025 -5.764 1.00 70.43 H new ATOM 0 HB2 GLN A 31 -10.829 0.475 -8.514 1.00 1.11 H new ATOM 0 HB3 GLN A 31 -11.666 -0.173 -7.117 1.00 1.11 H new ATOM 0 HG2 GLN A 31 -11.258 1.976 -5.889 1.00 33.23 H new ATOM 0 HG3 GLN A 31 -10.447 2.621 -7.302 1.00 33.23 H new ATOM 0 HE21 GLN A 31 -11.678 3.144 -9.208 1.00 4.42 H new ATOM 0 HE22 GLN A 31 -13.428 3.365 -9.117 1.00 4.42 H new ATOM 499 N THR A 32 -8.023 -1.792 -7.673 1.00 61.31 N ATOM 500 CA THR A 32 -7.575 -3.188 -7.822 1.00 42.04 C ATOM 501 C THR A 32 -7.258 -3.787 -6.442 1.00 61.35 C ATOM 502 O THR A 32 -6.357 -3.289 -5.763 1.00 75.42 O ATOM 503 CB THR A 32 -6.325 -3.341 -8.742 1.00 72.13 C ATOM 504 OG1 THR A 32 -6.697 -3.037 -10.089 1.00 61.04 O ATOM 505 CG2 THR A 32 -5.727 -4.772 -8.674 1.00 44.02 C ATOM 0 H THR A 32 -7.321 -1.098 -7.930 1.00 61.31 H new ATOM 0 HA THR A 32 -8.396 -3.724 -8.299 1.00 42.04 H new ATOM 0 HB THR A 32 -5.559 -2.649 -8.393 1.00 72.13 H new ATOM 0 HG1 THR A 32 -5.980 -3.314 -10.697 1.00 61.04 H new ATOM 0 HG21 THR A 32 -4.858 -4.835 -9.330 1.00 44.02 H new ATOM 0 HG22 THR A 32 -5.425 -4.992 -7.650 1.00 44.02 H new ATOM 0 HG23 THR A 32 -6.477 -5.495 -8.995 1.00 44.02 H new ATOM 513 N PRO A 33 -7.998 -4.857 -6.012 1.00 64.44 N ATOM 514 CA PRO A 33 -7.753 -5.535 -4.727 1.00 54.44 C ATOM 515 C PRO A 33 -6.504 -6.453 -4.779 1.00 53.03 C ATOM 516 O PRO A 33 -6.514 -7.514 -5.407 1.00 34.34 O ATOM 517 CB PRO A 33 -9.062 -6.323 -4.508 1.00 21.52 C ATOM 518 CG PRO A 33 -9.544 -6.642 -5.890 1.00 10.10 C ATOM 519 CD PRO A 33 -9.141 -5.466 -6.749 1.00 60.30 C ATOM 0 HA PRO A 33 -7.530 -4.848 -3.910 1.00 54.44 H new ATOM 0 HB2 PRO A 33 -8.887 -7.230 -3.930 1.00 21.52 H new ATOM 0 HB3 PRO A 33 -9.794 -5.731 -3.959 1.00 21.52 H new ATOM 0 HG2 PRO A 33 -9.096 -7.566 -6.257 1.00 10.10 H new ATOM 0 HG3 PRO A 33 -10.625 -6.784 -5.904 1.00 10.10 H new ATOM 0 HD2 PRO A 33 -8.847 -5.784 -7.749 1.00 60.30 H new ATOM 0 HD3 PRO A 33 -9.962 -4.759 -6.868 1.00 60.30 H new ATOM 527 N LEU A 34 -5.430 -6.026 -4.095 1.00 63.03 N ATOM 528 CA LEU A 34 -4.129 -6.724 -4.101 1.00 11.22 C ATOM 529 C LEU A 34 -4.223 -8.065 -3.336 1.00 41.21 C ATOM 530 O LEU A 34 -3.739 -9.091 -3.818 1.00 21.35 O ATOM 531 CB LEU A 34 -3.000 -5.843 -3.482 1.00 53.23 C ATOM 532 CG LEU A 34 -2.611 -4.505 -4.205 1.00 23.43 C ATOM 533 CD1 LEU A 34 -2.194 -4.717 -5.681 1.00 1.23 C ATOM 534 CD2 LEU A 34 -3.709 -3.445 -4.088 1.00 34.23 C ATOM 0 H LEU A 34 -5.437 -5.184 -3.519 1.00 63.03 H new ATOM 0 HA LEU A 34 -3.875 -6.922 -5.142 1.00 11.22 H new ATOM 0 HB2 LEU A 34 -3.295 -5.595 -2.462 1.00 53.23 H new ATOM 0 HB3 LEU A 34 -2.101 -6.456 -3.414 1.00 53.23 H new ATOM 0 HG LEU A 34 -1.733 -4.130 -3.680 1.00 23.43 H new ATOM 0 HD11 LEU A 34 -1.937 -3.757 -6.128 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -1.330 -5.380 -5.723 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -3.022 -5.163 -6.232 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -3.395 -2.537 -4.603 1.00 34.23 H new ATOM 0 HD22 LEU A 34 -4.627 -3.820 -4.541 1.00 34.23 H new ATOM 0 HD23 LEU A 34 -3.889 -3.222 -3.036 1.00 34.23 H new ATOM 546 N LEU A 35 -4.858 -8.036 -2.146 1.00 23.13 N ATOM 547 CA LEU A 35 -5.098 -9.247 -1.312 1.00 40.43 C ATOM 548 C LEU A 35 -5.884 -10.317 -2.095 1.00 73.05 C ATOM 549 O LEU A 35 -5.499 -11.495 -2.121 1.00 43.40 O ATOM 550 CB LEU A 35 -5.897 -8.877 -0.036 1.00 53.35 C ATOM 551 CG LEU A 35 -5.149 -8.103 1.090 1.00 0.12 C ATOM 552 CD1 LEU A 35 -6.158 -7.587 2.127 1.00 0.22 C ATOM 553 CD2 LEU A 35 -4.090 -8.993 1.785 1.00 21.10 C ATOM 0 H LEU A 35 -5.221 -7.178 -1.731 1.00 23.13 H new ATOM 0 HA LEU A 35 -4.124 -9.650 -1.036 1.00 40.43 H new ATOM 0 HB2 LEU A 35 -6.756 -8.279 -0.340 1.00 53.35 H new ATOM 0 HB3 LEU A 35 -6.287 -9.799 0.394 1.00 53.35 H new ATOM 0 HG LEU A 35 -4.631 -7.261 0.631 1.00 0.12 H new ATOM 0 HD11 LEU A 35 -5.629 -7.047 2.912 1.00 0.22 H new ATOM 0 HD12 LEU A 35 -6.869 -6.918 1.642 1.00 0.22 H new ATOM 0 HD13 LEU A 35 -6.693 -8.430 2.564 1.00 0.22 H new ATOM 0 HD21 LEU A 35 -3.588 -8.420 2.565 1.00 21.10 H new ATOM 0 HD22 LEU A 35 -4.579 -9.860 2.229 1.00 21.10 H new ATOM 0 HD23 LEU A 35 -3.357 -9.326 1.051 1.00 21.10 H new ATOM 565 N GLU A 36 -6.976 -9.870 -2.738 1.00 60.30 N ATOM 566 CA GLU A 36 -7.894 -10.740 -3.491 1.00 21.22 C ATOM 567 C GLU A 36 -7.172 -11.413 -4.673 1.00 34.22 C ATOM 568 O GLU A 36 -7.443 -12.573 -5.001 1.00 25.14 O ATOM 569 CB GLU A 36 -9.099 -9.909 -3.990 1.00 74.45 C ATOM 570 CG GLU A 36 -10.221 -10.698 -4.699 1.00 3.15 C ATOM 571 CD GLU A 36 -10.955 -11.693 -3.776 1.00 32.53 C ATOM 572 OE1 GLU A 36 -11.951 -11.294 -3.131 1.00 72.53 O ATOM 573 OE2 GLU A 36 -10.534 -12.866 -3.689 1.00 50.32 O ATOM 0 H GLU A 36 -7.248 -8.887 -2.750 1.00 60.30 H new ATOM 0 HA GLU A 36 -8.252 -11.530 -2.830 1.00 21.22 H new ATOM 0 HB2 GLU A 36 -9.533 -9.387 -3.137 1.00 74.45 H new ATOM 0 HB3 GLU A 36 -8.730 -9.147 -4.676 1.00 74.45 H new ATOM 0 HG2 GLU A 36 -10.945 -9.994 -5.109 1.00 3.15 H new ATOM 0 HG3 GLU A 36 -9.794 -11.243 -5.541 1.00 3.15 H new ATOM 580 N TRP A 37 -6.214 -10.683 -5.280 1.00 44.22 N ATOM 581 CA TRP A 37 -5.471 -11.171 -6.467 1.00 12.30 C ATOM 582 C TRP A 37 -4.186 -11.917 -6.041 1.00 45.24 C ATOM 583 O TRP A 37 -3.366 -12.286 -6.886 1.00 64.45 O ATOM 584 CB TRP A 37 -5.157 -9.985 -7.431 1.00 60.13 C ATOM 585 CG TRP A 37 -6.383 -9.354 -8.088 1.00 51.03 C ATOM 586 CD1 TRP A 37 -7.685 -9.420 -7.668 1.00 24.21 C ATOM 587 CD2 TRP A 37 -6.409 -8.550 -9.283 1.00 62.14 C ATOM 588 NE1 TRP A 37 -8.497 -8.713 -8.506 1.00 53.12 N ATOM 589 CE2 TRP A 37 -7.747 -8.169 -9.506 1.00 1.50 C ATOM 590 CE3 TRP A 37 -5.438 -8.112 -10.181 1.00 11.30 C ATOM 591 CZ2 TRP A 37 -8.136 -7.376 -10.584 1.00 60.34 C ATOM 592 CZ3 TRP A 37 -5.830 -7.325 -11.251 1.00 71.00 C ATOM 593 CH2 TRP A 37 -7.164 -6.960 -11.445 1.00 60.24 C ATOM 0 H TRP A 37 -5.934 -9.752 -4.970 1.00 44.22 H new ATOM 0 HA TRP A 37 -6.096 -11.884 -7.005 1.00 12.30 H new ATOM 0 HB2 TRP A 37 -4.623 -9.215 -6.875 1.00 60.13 H new ATOM 0 HB3 TRP A 37 -4.484 -10.338 -8.213 1.00 60.13 H new ATOM 0 HD1 TRP A 37 -8.022 -9.958 -6.794 1.00 24.21 H new ATOM 0 HE1 TRP A 37 -9.506 -8.608 -8.401 1.00 53.12 H new ATOM 0 HE3 TRP A 37 -4.401 -8.381 -10.045 1.00 11.30 H new ATOM 0 HZ2 TRP A 37 -9.170 -7.101 -10.732 1.00 60.34 H new ATOM 0 HZ3 TRP A 37 -5.084 -6.984 -11.954 1.00 71.00 H new ATOM 0 HH2 TRP A 37 -7.429 -6.340 -12.288 1.00 60.24 H new ATOM 604 N GLY A 38 -4.023 -12.120 -4.718 1.00 14.23 N ATOM 605 CA GLY A 38 -2.913 -12.908 -4.163 1.00 32.34 C ATOM 606 C GLY A 38 -1.567 -12.207 -4.239 1.00 11.22 C ATOM 607 O GLY A 38 -0.518 -12.840 -4.088 1.00 75.11 O ATOM 0 H GLY A 38 -4.655 -11.743 -4.011 1.00 14.23 H new ATOM 0 HA2 GLY A 38 -3.132 -13.143 -3.121 1.00 32.34 H new ATOM 0 HA3 GLY A 38 -2.849 -13.856 -4.697 1.00 32.34 H new ATOM 611 N ILE A 39 -1.612 -10.898 -4.466 1.00 71.25 N ATOM 612 CA ILE A 39 -0.435 -10.043 -4.563 1.00 1.21 C ATOM 613 C ILE A 39 0.134 -9.824 -3.151 1.00 14.43 C ATOM 614 O ILE A 39 1.340 -9.868 -2.946 1.00 74.53 O ATOM 615 CB ILE A 39 -0.828 -8.696 -5.278 1.00 65.25 C ATOM 616 CG1 ILE A 39 -1.258 -8.983 -6.767 1.00 32.54 C ATOM 617 CG2 ILE A 39 0.299 -7.650 -5.192 1.00 41.41 C ATOM 618 CD1 ILE A 39 -1.719 -7.775 -7.572 1.00 11.12 C ATOM 0 H ILE A 39 -2.488 -10.391 -4.590 1.00 71.25 H new ATOM 0 HA ILE A 39 0.345 -10.510 -5.165 1.00 1.21 H new ATOM 0 HB ILE A 39 -1.681 -8.265 -4.754 1.00 65.25 H new ATOM 0 HG12 ILE A 39 -0.416 -9.441 -7.286 1.00 32.54 H new ATOM 0 HG13 ILE A 39 -2.064 -9.717 -6.757 1.00 32.54 H new ATOM 0 HG21 ILE A 39 -0.013 -6.736 -5.698 1.00 41.41 H new ATOM 0 HG22 ILE A 39 0.513 -7.431 -4.146 1.00 41.41 H new ATOM 0 HG23 ILE A 39 1.196 -8.041 -5.672 1.00 41.41 H new ATOM 0 HD11 ILE A 39 -1.990 -8.091 -8.580 1.00 11.12 H new ATOM 0 HD12 ILE A 39 -2.586 -7.324 -7.088 1.00 11.12 H new ATOM 0 HD13 ILE A 39 -0.912 -7.044 -7.625 1.00 11.12 H new ATOM 630 N LEU A 40 -0.771 -9.636 -2.181 1.00 62.12 N ATOM 631 CA LEU A 40 -0.437 -9.583 -0.745 1.00 72.55 C ATOM 632 C LEU A 40 -0.968 -10.864 -0.072 1.00 52.24 C ATOM 633 O LEU A 40 -1.951 -11.455 -0.547 1.00 61.42 O ATOM 634 CB LEU A 40 -1.084 -8.332 -0.093 1.00 25.33 C ATOM 635 CG LEU A 40 -0.896 -6.985 -0.841 1.00 34.34 C ATOM 636 CD1 LEU A 40 -1.641 -5.845 -0.119 1.00 54.33 C ATOM 637 CD2 LEU A 40 0.594 -6.655 -1.053 1.00 35.52 C ATOM 0 H LEU A 40 -1.766 -9.515 -2.369 1.00 62.12 H new ATOM 0 HA LEU A 40 0.643 -9.516 -0.617 1.00 72.55 H new ATOM 0 HB2 LEU A 40 -2.153 -8.517 0.013 1.00 25.33 H new ATOM 0 HB3 LEU A 40 -0.678 -8.223 0.913 1.00 25.33 H new ATOM 0 HG LEU A 40 -1.338 -7.090 -1.832 1.00 34.34 H new ATOM 0 HD11 LEU A 40 -1.493 -4.912 -0.663 1.00 54.33 H new ATOM 0 HD12 LEU A 40 -2.705 -6.076 -0.076 1.00 54.33 H new ATOM 0 HD13 LEU A 40 -1.252 -5.740 0.894 1.00 54.33 H new ATOM 0 HD21 LEU A 40 0.685 -5.705 -1.580 1.00 35.52 H new ATOM 0 HD22 LEU A 40 1.092 -6.583 -0.086 1.00 35.52 H new ATOM 0 HD23 LEU A 40 1.061 -7.443 -1.643 1.00 35.52 H new ATOM 649 N ASN A 41 -0.328 -11.263 1.041 1.00 22.24 N ATOM 650 CA ASN A 41 -0.710 -12.467 1.825 1.00 32.11 C ATOM 651 C ASN A 41 0.012 -12.413 3.185 1.00 53.53 C ATOM 652 O ASN A 41 -0.593 -12.638 4.225 1.00 62.32 O ATOM 653 CB ASN A 41 -0.348 -13.779 1.045 1.00 32.12 C ATOM 654 CG ASN A 41 -0.956 -15.073 1.623 1.00 71.12 C ATOM 655 OD1 ASN A 41 -1.171 -15.213 2.826 1.00 44.11 O ATOM 656 ND2 ASN A 41 -1.235 -16.043 0.754 1.00 34.31 N ATOM 0 H ASN A 41 0.472 -10.763 1.429 1.00 22.24 H new ATOM 0 HA ASN A 41 -1.788 -12.477 1.985 1.00 32.11 H new ATOM 0 HB2 ASN A 41 -0.677 -13.671 0.012 1.00 32.12 H new ATOM 0 HB3 ASN A 41 0.737 -13.883 1.025 1.00 32.12 H new ATOM 0 HD21 ASN A 41 -1.635 -16.922 1.082 1.00 34.31 H new ATOM 0 HD22 ASN A 41 -1.049 -15.907 -0.240 1.00 34.31 H new ATOM 663 N SER A 42 1.320 -12.139 3.125 1.00 24.03 N ATOM 664 CA SER A 42 2.188 -11.834 4.284 1.00 64.04 C ATOM 665 C SER A 42 3.566 -11.413 3.693 1.00 42.25 C ATOM 666 O SER A 42 3.547 -10.802 2.615 1.00 14.41 O ATOM 667 CB SER A 42 2.259 -13.011 5.320 1.00 35.21 C ATOM 668 OG SER A 42 3.112 -12.667 6.411 1.00 10.02 O ATOM 0 H SER A 42 1.828 -12.121 2.240 1.00 24.03 H new ATOM 0 HA SER A 42 1.780 -11.019 4.882 1.00 64.04 H new ATOM 0 HB2 SER A 42 1.259 -13.238 5.690 1.00 35.21 H new ATOM 0 HB3 SER A 42 2.630 -13.912 4.831 1.00 35.21 H new ATOM 673 N MET A 43 4.715 -11.772 4.372 1.00 11.21 N ATOM 674 CA MET A 43 6.130 -11.408 4.057 1.00 42.23 C ATOM 675 C MET A 43 6.346 -10.128 3.186 1.00 51.13 C ATOM 676 O MET A 43 6.887 -9.121 3.671 1.00 31.22 O ATOM 677 CB MET A 43 6.923 -12.648 3.505 1.00 72.55 C ATOM 678 CG MET A 43 6.268 -13.368 2.329 1.00 15.43 C ATOM 679 SD MET A 43 4.776 -14.272 2.807 1.00 13.04 S ATOM 680 CE MET A 43 3.772 -14.103 1.339 1.00 3.41 C ATOM 0 H MET A 43 4.662 -12.360 5.204 1.00 11.21 H new ATOM 0 HA MET A 43 6.549 -11.114 5.019 1.00 42.23 H new ATOM 0 HB2 MET A 43 7.916 -12.318 3.200 1.00 72.55 H new ATOM 0 HB3 MET A 43 7.060 -13.362 4.317 1.00 72.55 H new ATOM 0 HG2 MET A 43 6.015 -12.640 1.558 1.00 15.43 H new ATOM 0 HG3 MET A 43 6.984 -14.063 1.889 1.00 15.43 H new ATOM 0 HE1 MET A 43 2.875 -14.714 1.439 1.00 3.41 H new ATOM 0 HE2 MET A 43 3.487 -13.059 1.211 1.00 3.41 H new ATOM 0 HE3 MET A 43 4.340 -14.433 0.470 1.00 3.41 H new ATOM 690 N ASN A 44 5.930 -10.178 1.908 1.00 72.34 N ATOM 691 CA ASN A 44 6.163 -9.098 0.929 1.00 21.54 C ATOM 692 C ASN A 44 5.291 -7.848 1.228 1.00 70.54 C ATOM 693 O ASN A 44 5.537 -6.763 0.687 1.00 2.02 O ATOM 694 CB ASN A 44 5.904 -9.617 -0.508 1.00 22.21 C ATOM 695 CG ASN A 44 4.423 -9.782 -0.877 1.00 34.03 C ATOM 696 OD1 ASN A 44 3.596 -10.147 -0.045 1.00 5.23 O ATOM 697 ND2 ASN A 44 4.082 -9.498 -2.124 1.00 25.54 N ATOM 0 H ASN A 44 5.420 -10.972 1.522 1.00 72.34 H new ATOM 0 HA ASN A 44 7.205 -8.790 1.013 1.00 21.54 H new ATOM 0 HB2 ASN A 44 6.366 -8.929 -1.216 1.00 22.21 H new ATOM 0 HB3 ASN A 44 6.403 -10.579 -0.627 1.00 22.21 H new ATOM 0 HD21 ASN A 44 3.109 -9.580 -2.418 1.00 25.54 H new ATOM 0 HD22 ASN A 44 4.793 -9.197 -2.791 1.00 25.54 H new ATOM 704 N ILE A 45 4.283 -8.027 2.099 1.00 60.35 N ATOM 705 CA ILE A 45 3.337 -6.970 2.484 1.00 53.14 C ATOM 706 C ILE A 45 4.023 -5.953 3.429 1.00 43.31 C ATOM 707 O ILE A 45 3.653 -4.788 3.458 1.00 24.44 O ATOM 708 CB ILE A 45 2.057 -7.617 3.152 1.00 54.03 C ATOM 709 CG1 ILE A 45 0.836 -6.642 3.128 1.00 61.25 C ATOM 710 CG2 ILE A 45 2.349 -8.104 4.602 1.00 2.44 C ATOM 711 CD1 ILE A 45 -0.473 -7.248 3.627 1.00 11.40 C ATOM 0 H ILE A 45 4.102 -8.919 2.559 1.00 60.35 H new ATOM 0 HA ILE A 45 3.017 -6.426 1.595 1.00 53.14 H new ATOM 0 HB ILE A 45 1.796 -8.490 2.554 1.00 54.03 H new ATOM 0 HG12 ILE A 45 1.073 -5.770 3.737 1.00 61.25 H new ATOM 0 HG13 ILE A 45 0.691 -6.288 2.107 1.00 61.25 H new ATOM 0 HG21 ILE A 45 1.446 -8.542 5.027 1.00 2.44 H new ATOM 0 HG22 ILE A 45 3.141 -8.853 4.582 1.00 2.44 H new ATOM 0 HG23 ILE A 45 2.665 -7.258 5.213 1.00 2.44 H new ATOM 0 HD11 ILE A 45 -1.264 -6.500 3.574 1.00 11.40 H new ATOM 0 HD12 ILE A 45 -0.739 -8.102 3.004 1.00 11.40 H new ATOM 0 HD13 ILE A 45 -0.352 -7.576 4.659 1.00 11.40 H new ATOM 723 N VAL A 46 5.062 -6.422 4.160 1.00 21.32 N ATOM 724 CA VAL A 46 5.815 -5.615 5.151 1.00 1.15 C ATOM 725 C VAL A 46 6.658 -4.515 4.452 1.00 4.24 C ATOM 726 O VAL A 46 7.026 -3.495 5.057 1.00 35.12 O ATOM 727 CB VAL A 46 6.707 -6.555 6.045 1.00 61.02 C ATOM 728 CG1 VAL A 46 7.445 -5.781 7.159 1.00 4.31 C ATOM 729 CG2 VAL A 46 5.854 -7.692 6.664 1.00 5.41 C ATOM 0 H VAL A 46 5.404 -7.379 4.078 1.00 21.32 H new ATOM 0 HA VAL A 46 5.104 -5.105 5.801 1.00 1.15 H new ATOM 0 HB VAL A 46 7.464 -6.987 5.390 1.00 61.02 H new ATOM 0 HG11 VAL A 46 8.046 -6.475 7.747 1.00 4.31 H new ATOM 0 HG12 VAL A 46 8.094 -5.028 6.711 1.00 4.31 H new ATOM 0 HG13 VAL A 46 6.717 -5.293 7.807 1.00 4.31 H new ATOM 0 HG21 VAL A 46 6.489 -8.330 7.278 1.00 5.41 H new ATOM 0 HG22 VAL A 46 5.067 -7.261 7.282 1.00 5.41 H new ATOM 0 HG23 VAL A 46 5.405 -8.285 5.867 1.00 5.41 H new ATOM 739 N LYS A 47 6.909 -4.730 3.151 1.00 2.12 N ATOM 740 CA LYS A 47 7.644 -3.790 2.288 1.00 3.11 C ATOM 741 C LYS A 47 6.825 -2.494 2.079 1.00 73.42 C ATOM 742 O LYS A 47 7.386 -1.434 1.795 1.00 43.45 O ATOM 743 CB LYS A 47 7.999 -4.448 0.925 1.00 12.34 C ATOM 744 CG LYS A 47 9.140 -5.490 0.979 1.00 53.22 C ATOM 745 CD LYS A 47 8.812 -6.706 1.870 1.00 32.42 C ATOM 746 CE LYS A 47 9.932 -7.747 1.907 1.00 41.52 C ATOM 747 NZ LYS A 47 11.207 -7.176 2.399 1.00 65.13 N ATOM 0 H LYS A 47 6.604 -5.572 2.662 1.00 2.12 H new ATOM 0 HA LYS A 47 8.578 -3.528 2.785 1.00 3.11 H new ATOM 0 HB2 LYS A 47 7.106 -4.930 0.528 1.00 12.34 H new ATOM 0 HB3 LYS A 47 8.277 -3.663 0.221 1.00 12.34 H new ATOM 0 HG2 LYS A 47 9.355 -5.836 -0.032 1.00 53.22 H new ATOM 0 HG3 LYS A 47 10.045 -5.009 1.351 1.00 53.22 H new ATOM 0 HD2 LYS A 47 8.612 -6.361 2.884 1.00 32.42 H new ATOM 0 HD3 LYS A 47 7.899 -7.178 1.508 1.00 32.42 H new ATOM 0 HE2 LYS A 47 9.635 -8.576 2.549 1.00 41.52 H new ATOM 0 HE3 LYS A 47 10.080 -8.155 0.907 1.00 41.52 H new ATOM 0 HZ1 LYS A 47 11.894 -7.942 2.553 1.00 65.13 H new ATOM 0 HZ2 LYS A 47 11.583 -6.509 1.695 1.00 65.13 H new ATOM 0 HZ3 LYS A 47 11.040 -6.675 3.295 1.00 65.13 H new ATOM 761 N LEU A 48 5.492 -2.605 2.233 1.00 2.11 N ATOM 762 CA LEU A 48 4.568 -1.456 2.156 1.00 53.10 C ATOM 763 C LEU A 48 4.688 -0.566 3.398 1.00 43.11 C ATOM 764 O LEU A 48 4.720 0.663 3.275 1.00 23.43 O ATOM 765 CB LEU A 48 3.092 -1.925 1.948 1.00 21.35 C ATOM 766 CG LEU A 48 2.742 -2.447 0.510 1.00 45.24 C ATOM 767 CD1 LEU A 48 3.124 -1.395 -0.562 1.00 21.32 C ATOM 768 CD2 LEU A 48 3.389 -3.824 0.193 1.00 62.41 C ATOM 0 H LEU A 48 5.025 -3.493 2.414 1.00 2.11 H new ATOM 0 HA LEU A 48 4.854 -0.863 1.287 1.00 53.10 H new ATOM 0 HB2 LEU A 48 2.877 -2.718 2.665 1.00 21.35 H new ATOM 0 HB3 LEU A 48 2.429 -1.093 2.184 1.00 21.35 H new ATOM 0 HG LEU A 48 1.663 -2.600 0.485 1.00 45.24 H new ATOM 0 HD11 LEU A 48 2.873 -1.777 -1.552 1.00 21.32 H new ATOM 0 HD12 LEU A 48 2.574 -0.472 -0.379 1.00 21.32 H new ATOM 0 HD13 LEU A 48 4.194 -1.195 -0.511 1.00 21.32 H new ATOM 0 HD21 LEU A 48 3.111 -4.133 -0.815 1.00 62.41 H new ATOM 0 HD22 LEU A 48 4.474 -3.741 0.261 1.00 62.41 H new ATOM 0 HD23 LEU A 48 3.036 -4.565 0.910 1.00 62.41 H new ATOM 780 N MET A 49 4.776 -1.201 4.581 1.00 71.02 N ATOM 781 CA MET A 49 4.929 -0.494 5.867 1.00 20.12 C ATOM 782 C MET A 49 6.204 0.365 5.854 1.00 30.21 C ATOM 783 O MET A 49 6.154 1.566 6.128 1.00 14.42 O ATOM 784 CB MET A 49 4.994 -1.489 7.061 1.00 21.35 C ATOM 785 CG MET A 49 3.751 -2.362 7.284 1.00 63.03 C ATOM 786 SD MET A 49 3.435 -3.505 5.933 1.00 42.42 S ATOM 787 CE MET A 49 2.381 -4.739 6.702 1.00 21.14 C ATOM 0 H MET A 49 4.743 -2.216 4.673 1.00 71.02 H new ATOM 0 HA MET A 49 4.055 0.144 5.995 1.00 20.12 H new ATOM 0 HB2 MET A 49 5.852 -2.145 6.914 1.00 21.35 H new ATOM 0 HB3 MET A 49 5.181 -0.920 7.972 1.00 21.35 H new ATOM 0 HG2 MET A 49 3.873 -2.927 8.208 1.00 63.03 H new ATOM 0 HG3 MET A 49 2.882 -1.718 7.417 1.00 63.03 H new ATOM 0 HE1 MET A 49 2.819 -5.728 6.565 1.00 21.14 H new ATOM 0 HE2 MET A 49 2.290 -4.527 7.767 1.00 21.14 H new ATOM 0 HE3 MET A 49 1.394 -4.713 6.241 1.00 21.14 H new ATOM 797 N VAL A 50 7.326 -0.274 5.490 1.00 42.22 N ATOM 798 CA VAL A 50 8.662 0.351 5.528 1.00 50.12 C ATOM 799 C VAL A 50 8.843 1.427 4.432 1.00 3.50 C ATOM 800 O VAL A 50 9.605 2.378 4.625 1.00 25.42 O ATOM 801 CB VAL A 50 9.799 -0.729 5.419 1.00 42.02 C ATOM 802 CG1 VAL A 50 9.837 -1.396 4.023 1.00 51.24 C ATOM 803 CG2 VAL A 50 11.177 -0.143 5.792 1.00 34.31 C ATOM 0 H VAL A 50 7.335 -1.239 5.160 1.00 42.22 H new ATOM 0 HA VAL A 50 8.740 0.850 6.494 1.00 50.12 H new ATOM 0 HB VAL A 50 9.561 -1.508 6.143 1.00 42.02 H new ATOM 0 HG11 VAL A 50 10.638 -2.135 3.994 1.00 51.24 H new ATOM 0 HG12 VAL A 50 8.883 -1.887 3.828 1.00 51.24 H new ATOM 0 HG13 VAL A 50 10.017 -0.637 3.262 1.00 51.24 H new ATOM 0 HG21 VAL A 50 11.938 -0.919 5.705 1.00 34.31 H new ATOM 0 HG22 VAL A 50 11.418 0.679 5.117 1.00 34.31 H new ATOM 0 HG23 VAL A 50 11.150 0.225 6.817 1.00 34.31 H new ATOM 813 N TYR A 51 8.130 1.276 3.298 1.00 5.42 N ATOM 814 CA TYR A 51 8.213 2.230 2.165 1.00 3.41 C ATOM 815 C TYR A 51 7.737 3.612 2.626 1.00 24.35 C ATOM 816 O TYR A 51 8.435 4.625 2.508 1.00 63.03 O ATOM 817 CB TYR A 51 7.323 1.763 0.978 1.00 24.24 C ATOM 818 CG TYR A 51 7.545 2.556 -0.330 1.00 44.40 C ATOM 819 CD1 TYR A 51 6.866 3.748 -0.602 1.00 22.05 C ATOM 820 CD2 TYR A 51 8.436 2.099 -1.290 1.00 73.13 C ATOM 821 CE1 TYR A 51 7.072 4.441 -1.777 1.00 12.44 C ATOM 822 CE2 TYR A 51 8.644 2.788 -2.474 1.00 1.21 C ATOM 823 CZ TYR A 51 7.956 3.962 -2.713 1.00 50.30 C ATOM 824 OH TYR A 51 8.143 4.661 -3.891 1.00 71.04 O ATOM 0 H TYR A 51 7.487 0.501 3.139 1.00 5.42 H new ATOM 0 HA TYR A 51 9.250 2.276 1.832 1.00 3.41 H new ATOM 0 HB2 TYR A 51 7.516 0.707 0.787 1.00 24.24 H new ATOM 0 HB3 TYR A 51 6.276 1.848 1.268 1.00 24.24 H new ATOM 0 HD1 TYR A 51 6.165 4.134 0.123 1.00 22.05 H new ATOM 0 HD2 TYR A 51 8.981 1.184 -1.110 1.00 73.13 H new ATOM 0 HE1 TYR A 51 6.538 5.361 -1.961 1.00 12.44 H new ATOM 0 HE2 TYR A 51 9.341 2.409 -3.207 1.00 1.21 H new ATOM 0 HH TYR A 51 8.800 4.194 -4.448 1.00 71.04 H new ATOM 834 N ILE A 52 6.525 3.587 3.163 1.00 2.25 N ATOM 835 CA ILE A 52 5.782 4.764 3.600 1.00 3.03 C ATOM 836 C ILE A 52 6.409 5.337 4.895 1.00 61.20 C ATOM 837 O ILE A 52 6.373 6.547 5.144 1.00 0.25 O ATOM 838 CB ILE A 52 4.282 4.352 3.802 1.00 31.21 C ATOM 839 CG1 ILE A 52 3.731 3.640 2.514 1.00 63.45 C ATOM 840 CG2 ILE A 52 3.421 5.570 4.166 1.00 51.43 C ATOM 841 CD1 ILE A 52 2.387 2.959 2.688 1.00 62.31 C ATOM 0 H ILE A 52 6.013 2.717 3.312 1.00 2.25 H new ATOM 0 HA ILE A 52 5.830 5.553 2.849 1.00 3.03 H new ATOM 0 HB ILE A 52 4.230 3.648 4.633 1.00 31.21 H new ATOM 0 HG12 ILE A 52 3.648 4.378 1.716 1.00 63.45 H new ATOM 0 HG13 ILE A 52 4.459 2.897 2.187 1.00 63.45 H new ATOM 0 HG21 ILE A 52 2.386 5.257 4.300 1.00 51.43 H new ATOM 0 HG22 ILE A 52 3.789 6.012 5.092 1.00 51.43 H new ATOM 0 HG23 ILE A 52 3.476 6.307 3.365 1.00 51.43 H new ATOM 0 HD11 ILE A 52 2.089 2.496 1.747 1.00 62.31 H new ATOM 0 HD12 ILE A 52 2.464 2.194 3.460 1.00 62.31 H new ATOM 0 HD13 ILE A 52 1.641 3.697 2.982 1.00 62.31 H new ATOM 853 N ARG A 53 7.002 4.433 5.696 1.00 51.11 N ATOM 854 CA ARG A 53 7.786 4.776 6.901 1.00 11.20 C ATOM 855 C ARG A 53 9.070 5.550 6.524 1.00 51.03 C ATOM 856 O ARG A 53 9.526 6.421 7.272 1.00 75.41 O ATOM 857 CB ARG A 53 8.152 3.479 7.674 1.00 14.24 C ATOM 858 CG ARG A 53 8.960 3.671 8.979 1.00 2.50 C ATOM 859 CD ARG A 53 8.259 4.585 9.997 1.00 52.24 C ATOM 860 NE ARG A 53 9.075 4.769 11.210 1.00 74.40 N ATOM 861 CZ ARG A 53 8.939 5.768 12.096 1.00 15.11 C ATOM 862 NH1 ARG A 53 8.023 6.718 11.937 1.00 73.20 N ATOM 863 NH2 ARG A 53 9.722 5.793 13.156 1.00 71.15 N ATOM 0 H ARG A 53 6.950 3.429 5.524 1.00 51.11 H new ATOM 0 HA ARG A 53 7.178 5.418 7.538 1.00 11.20 H new ATOM 0 HB2 ARG A 53 7.229 2.952 7.916 1.00 14.24 H new ATOM 0 HB3 ARG A 53 8.724 2.832 7.008 1.00 14.24 H new ATOM 0 HG2 ARG A 53 9.136 2.697 9.436 1.00 2.50 H new ATOM 0 HG3 ARG A 53 9.936 4.090 8.736 1.00 2.50 H new ATOM 0 HD2 ARG A 53 8.060 5.555 9.540 1.00 52.24 H new ATOM 0 HD3 ARG A 53 7.294 4.157 10.268 1.00 52.24 H new ATOM 0 HE ARG A 53 9.804 4.079 11.392 1.00 74.40 H new ATOM 0 HH11 ARG A 53 7.403 6.698 11.127 1.00 73.20 H new ATOM 0 HH12 ARG A 53 7.940 7.467 12.625 1.00 73.20 H new ATOM 0 HH21 ARG A 53 10.418 5.060 13.293 1.00 71.15 H new ATOM 0 HH22 ARG A 53 9.632 6.545 13.839 1.00 71.15 H new ATOM 877 N ASP A 54 9.639 5.216 5.361 1.00 11.41 N ATOM 878 CA ASP A 54 10.873 5.850 4.854 1.00 2.13 C ATOM 879 C ASP A 54 10.554 7.195 4.183 1.00 1.23 C ATOM 880 O ASP A 54 11.356 8.133 4.247 1.00 23.34 O ATOM 881 CB ASP A 54 11.591 4.897 3.858 1.00 22.53 C ATOM 882 CG ASP A 54 12.949 5.442 3.380 1.00 11.55 C ATOM 883 OD1 ASP A 54 13.935 5.352 4.148 1.00 74.44 O ATOM 884 OD2 ASP A 54 13.048 5.973 2.249 1.00 21.50 O ATOM 0 H ASP A 54 9.262 4.500 4.741 1.00 11.41 H new ATOM 0 HA ASP A 54 11.539 6.041 5.695 1.00 2.13 H new ATOM 0 HB2 ASP A 54 11.741 3.928 4.334 1.00 22.53 H new ATOM 0 HB3 ASP A 54 10.947 4.731 2.994 1.00 22.53 H new ATOM 889 N GLU A 55 9.363 7.284 3.568 1.00 63.51 N ATOM 890 CA GLU A 55 8.961 8.442 2.752 1.00 35.42 C ATOM 891 C GLU A 55 8.123 9.455 3.578 1.00 61.45 C ATOM 892 O GLU A 55 8.619 10.532 3.926 1.00 3.31 O ATOM 893 CB GLU A 55 8.199 7.951 1.502 1.00 44.42 C ATOM 894 CG GLU A 55 7.845 9.058 0.493 1.00 70.32 C ATOM 895 CD GLU A 55 7.018 8.596 -0.712 1.00 21.33 C ATOM 896 OE1 GLU A 55 6.575 7.432 -0.763 1.00 22.34 O ATOM 897 OE2 GLU A 55 6.807 9.413 -1.627 1.00 11.51 O ATOM 0 H GLU A 55 8.652 6.555 3.623 1.00 63.51 H new ATOM 0 HA GLU A 55 9.855 8.974 2.427 1.00 35.42 H new ATOM 0 HB2 GLU A 55 8.803 7.197 0.997 1.00 44.42 H new ATOM 0 HB3 GLU A 55 7.279 7.461 1.822 1.00 44.42 H new ATOM 0 HG2 GLU A 55 7.294 9.841 1.014 1.00 70.32 H new ATOM 0 HG3 GLU A 55 8.769 9.507 0.130 1.00 70.32 H new ATOM 904 N MET A 56 6.858 9.108 3.905 1.00 4.30 N ATOM 905 CA MET A 56 5.959 9.994 4.699 1.00 1.42 C ATOM 906 C MET A 56 6.206 9.850 6.219 1.00 21.31 C ATOM 907 O MET A 56 5.579 10.554 7.005 1.00 14.14 O ATOM 908 CB MET A 56 4.456 9.722 4.370 1.00 25.32 C ATOM 909 CG MET A 56 3.937 10.383 3.076 1.00 4.23 C ATOM 910 SD MET A 56 4.680 9.724 1.568 1.00 13.31 S ATOM 911 CE MET A 56 4.150 8.017 1.636 1.00 50.35 C ATOM 0 H MET A 56 6.431 8.222 3.634 1.00 4.30 H new ATOM 0 HA MET A 56 6.196 11.019 4.414 1.00 1.42 H new ATOM 0 HB2 MET A 56 4.306 8.645 4.294 1.00 25.32 H new ATOM 0 HB3 MET A 56 3.849 10.070 5.206 1.00 25.32 H new ATOM 0 HG2 MET A 56 2.856 10.255 3.023 1.00 4.23 H new ATOM 0 HG3 MET A 56 4.129 11.455 3.125 1.00 4.23 H new ATOM 0 HE1 MET A 56 4.363 7.532 0.683 1.00 50.35 H new ATOM 0 HE2 MET A 56 4.685 7.501 2.433 1.00 50.35 H new ATOM 0 HE3 MET A 56 3.079 7.976 1.833 1.00 50.35 H new ATOM 921 N GLY A 57 7.095 8.927 6.624 1.00 12.43 N ATOM 922 CA GLY A 57 7.441 8.746 8.042 1.00 71.02 C ATOM 923 C GLY A 57 6.365 8.040 8.857 1.00 70.12 C ATOM 924 O GLY A 57 6.363 8.127 10.087 1.00 5.51 O ATOM 0 H GLY A 57 7.586 8.296 5.990 1.00 12.43 H new ATOM 0 HA2 GLY A 57 8.367 8.175 8.109 1.00 71.02 H new ATOM 0 HA3 GLY A 57 7.636 9.722 8.485 1.00 71.02 H new ATOM 928 N VAL A 58 5.455 7.321 8.184 1.00 52.01 N ATOM 929 CA VAL A 58 4.359 6.572 8.849 1.00 12.02 C ATOM 930 C VAL A 58 4.348 5.114 8.351 1.00 65.43 C ATOM 931 O VAL A 58 4.233 4.854 7.159 1.00 54.25 O ATOM 932 CB VAL A 58 2.951 7.257 8.616 1.00 5.24 C ATOM 933 CG1 VAL A 58 2.711 7.569 7.121 1.00 3.15 C ATOM 934 CG2 VAL A 58 1.792 6.403 9.189 1.00 24.35 C ATOM 0 H VAL A 58 5.451 7.237 7.167 1.00 52.01 H new ATOM 0 HA VAL A 58 4.544 6.583 9.923 1.00 12.02 H new ATOM 0 HB VAL A 58 2.968 8.202 9.160 1.00 5.24 H new ATOM 0 HG11 VAL A 58 1.735 8.039 6.999 1.00 3.15 H new ATOM 0 HG12 VAL A 58 3.486 8.246 6.761 1.00 3.15 H new ATOM 0 HG13 VAL A 58 2.742 6.643 6.547 1.00 3.15 H new ATOM 0 HG21 VAL A 58 0.844 6.909 9.008 1.00 24.35 H new ATOM 0 HG22 VAL A 58 1.782 5.428 8.701 1.00 24.35 H new ATOM 0 HG23 VAL A 58 1.934 6.270 10.262 1.00 24.35 H new ATOM 944 N SER A 59 4.535 4.172 9.272 1.00 15.13 N ATOM 945 CA SER A 59 4.373 2.744 9.009 1.00 35.51 C ATOM 946 C SER A 59 2.989 2.307 9.494 1.00 24.51 C ATOM 947 O SER A 59 2.455 2.896 10.446 1.00 1.31 O ATOM 948 CB SER A 59 5.465 1.955 9.752 1.00 32.15 C ATOM 949 OG SER A 59 5.350 0.562 9.551 1.00 73.20 O ATOM 0 H SER A 59 4.806 4.381 10.233 1.00 15.13 H new ATOM 0 HA SER A 59 4.464 2.549 7.941 1.00 35.51 H new ATOM 0 HB2 SER A 59 6.446 2.289 9.413 1.00 32.15 H new ATOM 0 HB3 SER A 59 5.405 2.172 10.818 1.00 32.15 H new ATOM 0 HG SER A 59 6.064 0.101 10.039 1.00 73.20 H new ATOM 955 N ILE A 60 2.402 1.303 8.828 1.00 72.32 N ATOM 956 CA ILE A 60 1.219 0.609 9.352 1.00 31.42 C ATOM 957 C ILE A 60 1.690 -0.329 10.498 1.00 15.12 C ATOM 958 O ILE A 60 2.489 -1.243 10.246 1.00 31.42 O ATOM 959 CB ILE A 60 0.475 -0.244 8.260 1.00 73.14 C ATOM 960 CG1 ILE A 60 0.087 0.607 7.007 1.00 2.32 C ATOM 961 CG2 ILE A 60 -0.783 -0.921 8.869 1.00 22.21 C ATOM 962 CD1 ILE A 60 -1.054 1.590 7.229 1.00 25.40 C ATOM 0 H ILE A 60 2.727 0.954 7.926 1.00 72.32 H new ATOM 0 HA ILE A 60 0.510 1.360 9.702 1.00 31.42 H new ATOM 0 HB ILE A 60 1.168 -1.015 7.922 1.00 73.14 H new ATOM 0 HG12 ILE A 60 0.965 1.161 6.676 1.00 2.32 H new ATOM 0 HG13 ILE A 60 -0.187 -0.069 6.197 1.00 2.32 H new ATOM 0 HG21 ILE A 60 -1.288 -1.508 8.102 1.00 22.21 H new ATOM 0 HG22 ILE A 60 -0.484 -1.575 9.688 1.00 22.21 H new ATOM 0 HG23 ILE A 60 -1.462 -0.156 9.245 1.00 22.21 H new ATOM 0 HD11 ILE A 60 -1.251 2.134 6.305 1.00 25.40 H new ATOM 0 HD12 ILE A 60 -1.950 1.046 7.528 1.00 25.40 H new ATOM 0 HD13 ILE A 60 -0.779 2.295 8.014 1.00 25.40 H new ATOM 974 N PRO A 61 1.247 -0.089 11.774 1.00 72.33 N ATOM 975 CA PRO A 61 1.592 -0.965 12.918 1.00 34.31 C ATOM 976 C PRO A 61 0.906 -2.346 12.815 1.00 24.32 C ATOM 977 O PRO A 61 -0.094 -2.506 12.094 1.00 15.31 O ATOM 978 CB PRO A 61 1.093 -0.162 14.147 1.00 42.11 C ATOM 979 CG PRO A 61 0.002 0.716 13.614 1.00 40.05 C ATOM 980 CD PRO A 61 0.394 1.060 12.198 1.00 15.04 C ATOM 0 HA PRO A 61 2.656 -1.195 12.967 1.00 34.31 H new ATOM 0 HB2 PRO A 61 0.721 -0.825 14.928 1.00 42.11 H new ATOM 0 HB3 PRO A 61 1.897 0.429 14.586 1.00 42.11 H new ATOM 0 HG2 PRO A 61 -0.959 0.202 13.638 1.00 40.05 H new ATOM 0 HG3 PRO A 61 -0.103 1.617 14.219 1.00 40.05 H new ATOM 0 HD2 PRO A 61 -0.480 1.167 11.556 1.00 15.04 H new ATOM 0 HD3 PRO A 61 0.941 2.002 12.152 1.00 15.04 H new ATOM 988 N SER A 62 1.431 -3.323 13.573 1.00 21.04 N ATOM 989 CA SER A 62 1.001 -4.733 13.496 1.00 75.42 C ATOM 990 C SER A 62 -0.461 -4.938 13.982 1.00 23.34 C ATOM 991 O SER A 62 -1.105 -5.937 13.632 1.00 61.43 O ATOM 992 CB SER A 62 1.990 -5.614 14.282 1.00 75.33 C ATOM 993 OG SER A 62 2.232 -5.089 15.582 1.00 3.40 O ATOM 0 H SER A 62 2.168 -3.159 14.259 1.00 21.04 H new ATOM 0 HA SER A 62 1.010 -5.034 12.448 1.00 75.42 H new ATOM 0 HB2 SER A 62 1.592 -6.626 14.365 1.00 75.33 H new ATOM 0 HB3 SER A 62 2.930 -5.685 13.736 1.00 75.33 H new ATOM 0 HG SER A 62 2.862 -5.670 16.057 1.00 3.40 H new ATOM 999 N THR A 63 -0.965 -3.985 14.785 1.00 74.34 N ATOM 1000 CA THR A 63 -2.376 -3.956 15.223 1.00 73.14 C ATOM 1001 C THR A 63 -3.312 -3.532 14.064 1.00 12.43 C ATOM 1002 O THR A 63 -4.424 -4.046 13.933 1.00 21.14 O ATOM 1003 CB THR A 63 -2.540 -2.993 16.450 1.00 31.40 C ATOM 1004 OG1 THR A 63 -3.903 -2.949 16.900 1.00 43.12 O ATOM 1005 CG2 THR A 63 -2.069 -1.571 16.124 1.00 64.11 C ATOM 0 H THR A 63 -0.408 -3.212 15.150 1.00 74.34 H new ATOM 0 HA THR A 63 -2.661 -4.963 15.527 1.00 73.14 H new ATOM 0 HB THR A 63 -1.913 -3.395 17.246 1.00 31.40 H new ATOM 0 HG1 THR A 63 -3.975 -2.342 17.666 1.00 43.12 H new ATOM 0 HG21 THR A 63 -2.199 -0.935 17.000 1.00 64.11 H new ATOM 0 HG22 THR A 63 -1.016 -1.592 15.844 1.00 64.11 H new ATOM 0 HG23 THR A 63 -2.657 -1.174 15.296 1.00 64.11 H new ATOM 1013 N HIS A 64 -2.822 -2.621 13.194 1.00 42.45 N ATOM 1014 CA HIS A 64 -3.570 -2.128 12.013 1.00 30.22 C ATOM 1015 C HIS A 64 -3.360 -3.043 10.795 1.00 31.31 C ATOM 1016 O HIS A 64 -3.712 -2.670 9.673 1.00 15.52 O ATOM 1017 CB HIS A 64 -3.183 -0.653 11.698 1.00 4.52 C ATOM 1018 CG HIS A 64 -3.926 0.377 12.515 1.00 42.33 C ATOM 1019 ND1 HIS A 64 -3.455 0.904 13.697 1.00 35.05 N ATOM 1020 CD2 HIS A 64 -5.114 0.989 12.292 1.00 24.32 C ATOM 1021 CE1 HIS A 64 -4.315 1.791 14.158 1.00 1.22 C ATOM 1022 NE2 HIS A 64 -5.331 1.859 13.325 1.00 10.22 N ATOM 0 H HIS A 64 -1.895 -2.206 13.290 1.00 42.45 H new ATOM 0 HA HIS A 64 -4.634 -2.152 12.249 1.00 30.22 H new ATOM 0 HB2 HIS A 64 -2.113 -0.528 11.865 1.00 4.52 H new ATOM 0 HB3 HIS A 64 -3.366 -0.461 10.641 1.00 4.52 H new ATOM 0 HD2 HIS A 64 -5.771 0.821 11.451 1.00 24.32 H new ATOM 0 HE1 HIS A 64 -4.204 2.365 15.066 1.00 1.22 H new ATOM 0 HE2 HIS A 64 -6.147 2.462 13.432 1.00 10.22 H new ATOM 1031 N ILE A 65 -2.801 -4.250 11.009 1.00 2.52 N ATOM 1032 CA ILE A 65 -2.734 -5.257 9.956 1.00 35.55 C ATOM 1033 C ILE A 65 -4.035 -6.046 9.963 1.00 31.23 C ATOM 1034 O ILE A 65 -4.245 -6.914 10.813 1.00 63.15 O ATOM 1035 CB ILE A 65 -1.508 -6.221 10.102 1.00 42.12 C ATOM 1036 CG1 ILE A 65 -0.187 -5.424 10.232 1.00 54.15 C ATOM 1037 CG2 ILE A 65 -1.436 -7.192 8.904 1.00 63.41 C ATOM 1038 CD1 ILE A 65 0.039 -4.410 9.142 1.00 52.40 C ATOM 0 H ILE A 65 -2.395 -4.541 11.898 1.00 2.52 H new ATOM 0 HA ILE A 65 -2.597 -4.742 9.005 1.00 35.55 H new ATOM 0 HB ILE A 65 -1.644 -6.803 11.014 1.00 42.12 H new ATOM 0 HG12 ILE A 65 -0.179 -4.912 11.194 1.00 54.15 H new ATOM 0 HG13 ILE A 65 0.647 -6.126 10.237 1.00 54.15 H new ATOM 0 HG21 ILE A 65 -0.578 -7.854 9.023 1.00 63.41 H new ATOM 0 HG22 ILE A 65 -2.349 -7.786 8.861 1.00 63.41 H new ATOM 0 HG23 ILE A 65 -1.330 -6.623 7.980 1.00 63.41 H new ATOM 0 HD11 ILE A 65 0.987 -3.899 9.312 1.00 52.40 H new ATOM 0 HD12 ILE A 65 0.067 -4.914 8.176 1.00 52.40 H new ATOM 0 HD13 ILE A 65 -0.772 -3.682 9.148 1.00 52.40 H new ATOM 1050 N THR A 66 -4.927 -5.661 9.058 1.00 75.14 N ATOM 1051 CA THR A 66 -6.170 -6.368 8.785 1.00 40.33 C ATOM 1052 C THR A 66 -6.551 -6.125 7.320 1.00 61.53 C ATOM 1053 O THR A 66 -6.164 -5.102 6.731 1.00 33.55 O ATOM 1054 CB THR A 66 -7.330 -5.964 9.772 1.00 32.12 C ATOM 1055 OG1 THR A 66 -8.594 -6.471 9.309 1.00 63.43 O ATOM 1056 CG2 THR A 66 -7.433 -4.449 9.979 1.00 24.00 C ATOM 0 H THR A 66 -4.802 -4.829 8.481 1.00 75.14 H new ATOM 0 HA THR A 66 -6.015 -7.434 8.953 1.00 40.33 H new ATOM 0 HB THR A 66 -7.082 -6.413 10.734 1.00 32.12 H new ATOM 0 HG1 THR A 66 -9.300 -6.211 9.936 1.00 63.43 H new ATOM 0 HG21 THR A 66 -8.249 -4.231 10.668 1.00 24.00 H new ATOM 0 HG22 THR A 66 -6.497 -4.074 10.394 1.00 24.00 H new ATOM 0 HG23 THR A 66 -7.626 -3.963 9.022 1.00 24.00 H new ATOM 1064 N GLY A 67 -7.295 -7.079 6.748 1.00 61.22 N ATOM 1065 CA GLY A 67 -7.601 -7.106 5.323 1.00 13.52 C ATOM 1066 C GLY A 67 -8.283 -5.845 4.801 1.00 33.04 C ATOM 1067 O GLY A 67 -8.007 -5.395 3.691 1.00 51.33 O ATOM 0 H GLY A 67 -7.702 -7.856 7.269 1.00 61.22 H new ATOM 0 HA2 GLY A 67 -6.676 -7.260 4.768 1.00 13.52 H new ATOM 0 HA3 GLY A 67 -8.243 -7.963 5.118 1.00 13.52 H new ATOM 1071 N LYS A 68 -9.150 -5.266 5.638 1.00 33.31 N ATOM 1072 CA LYS A 68 -9.951 -4.080 5.291 1.00 24.12 C ATOM 1073 C LYS A 68 -9.092 -2.831 4.979 1.00 13.52 C ATOM 1074 O LYS A 68 -9.553 -1.907 4.302 1.00 42.40 O ATOM 1075 CB LYS A 68 -10.932 -3.781 6.435 1.00 2.53 C ATOM 1076 CG LYS A 68 -10.258 -3.528 7.802 1.00 62.31 C ATOM 1077 CD LYS A 68 -11.262 -3.083 8.884 1.00 24.35 C ATOM 1078 CE LYS A 68 -11.958 -1.750 8.545 1.00 5.31 C ATOM 1079 NZ LYS A 68 -12.882 -1.302 9.616 1.00 32.14 N ATOM 0 H LYS A 68 -9.319 -5.608 6.584 1.00 33.31 H new ATOM 0 HA LYS A 68 -10.493 -4.311 4.374 1.00 24.12 H new ATOM 0 HB2 LYS A 68 -11.526 -2.907 6.169 1.00 2.53 H new ATOM 0 HB3 LYS A 68 -11.623 -4.618 6.533 1.00 2.53 H new ATOM 0 HG2 LYS A 68 -9.756 -4.438 8.130 1.00 62.31 H new ATOM 0 HG3 LYS A 68 -9.489 -2.764 7.688 1.00 62.31 H new ATOM 0 HD2 LYS A 68 -12.017 -3.859 9.013 1.00 24.35 H new ATOM 0 HD3 LYS A 68 -10.741 -2.983 9.836 1.00 24.35 H new ATOM 0 HE2 LYS A 68 -11.203 -0.982 8.377 1.00 5.31 H new ATOM 0 HE3 LYS A 68 -12.513 -1.861 7.614 1.00 5.31 H new ATOM 0 HZ1 LYS A 68 -13.324 -0.402 9.339 1.00 32.14 H new ATOM 0 HZ2 LYS A 68 -13.620 -2.020 9.761 1.00 32.14 H new ATOM 0 HZ3 LYS A 68 -12.350 -1.169 10.500 1.00 32.14 H new ATOM 1093 N TYR A 69 -7.857 -2.803 5.497 1.00 1.10 N ATOM 1094 CA TYR A 69 -6.921 -1.684 5.279 1.00 42.33 C ATOM 1095 C TYR A 69 -6.010 -1.944 4.077 1.00 73.22 C ATOM 1096 O TYR A 69 -5.601 -1.003 3.408 1.00 61.12 O ATOM 1097 CB TYR A 69 -6.090 -1.419 6.559 1.00 64.01 C ATOM 1098 CG TYR A 69 -6.934 -0.935 7.763 1.00 75.42 C ATOM 1099 CD1 TYR A 69 -8.111 -0.188 7.581 1.00 64.23 C ATOM 1100 CD2 TYR A 69 -6.562 -1.217 9.078 1.00 4.13 C ATOM 1101 CE1 TYR A 69 -8.863 0.241 8.649 1.00 74.24 C ATOM 1102 CE2 TYR A 69 -7.323 -0.787 10.149 1.00 72.25 C ATOM 1103 CZ TYR A 69 -8.469 -0.061 9.929 1.00 32.31 C ATOM 1104 OH TYR A 69 -9.232 0.368 10.992 1.00 52.30 O ATOM 0 H TYR A 69 -7.476 -3.551 6.077 1.00 1.10 H new ATOM 0 HA TYR A 69 -7.507 -0.792 5.057 1.00 42.33 H new ATOM 0 HB2 TYR A 69 -5.568 -2.334 6.838 1.00 64.01 H new ATOM 0 HB3 TYR A 69 -5.328 -0.672 6.338 1.00 64.01 H new ATOM 0 HD1 TYR A 69 -8.432 0.055 6.579 1.00 64.23 H new ATOM 0 HD2 TYR A 69 -5.661 -1.783 9.263 1.00 4.13 H new ATOM 0 HE1 TYR A 69 -9.762 0.815 8.481 1.00 74.24 H new ATOM 0 HE2 TYR A 69 -7.017 -1.021 11.158 1.00 72.25 H new ATOM 0 HH TYR A 69 -8.820 0.073 11.831 1.00 52.30 H new ATOM 1114 N PHE A 70 -5.713 -3.221 3.804 1.00 72.40 N ATOM 1115 CA PHE A 70 -4.790 -3.628 2.714 1.00 23.21 C ATOM 1116 C PHE A 70 -5.535 -4.204 1.500 1.00 73.52 C ATOM 1117 O PHE A 70 -4.888 -4.808 0.628 1.00 70.32 O ATOM 1118 CB PHE A 70 -3.742 -4.648 3.257 1.00 72.10 C ATOM 1119 CG PHE A 70 -2.647 -3.998 4.107 1.00 10.51 C ATOM 1120 CD1 PHE A 70 -2.817 -3.793 5.475 1.00 64.41 C ATOM 1121 CD2 PHE A 70 -1.447 -3.579 3.522 1.00 32.03 C ATOM 1122 CE1 PHE A 70 -1.827 -3.198 6.225 1.00 12.04 C ATOM 1123 CE2 PHE A 70 -0.457 -2.982 4.274 1.00 72.10 C ATOM 1124 CZ PHE A 70 -0.646 -2.791 5.625 1.00 62.43 C ATOM 0 H PHE A 70 -6.100 -4.007 4.326 1.00 72.40 H new ATOM 0 HA PHE A 70 -4.274 -2.732 2.368 1.00 23.21 H new ATOM 0 HB2 PHE A 70 -4.255 -5.403 3.853 1.00 72.10 H new ATOM 0 HB3 PHE A 70 -3.280 -5.166 2.416 1.00 72.10 H new ATOM 0 HD1 PHE A 70 -3.735 -4.104 5.952 1.00 64.41 H new ATOM 0 HD2 PHE A 70 -1.293 -3.726 2.463 1.00 32.03 H new ATOM 0 HE1 PHE A 70 -1.972 -3.048 7.285 1.00 12.04 H new ATOM 0 HE2 PHE A 70 0.463 -2.665 3.805 1.00 72.10 H new ATOM 0 HZ PHE A 70 0.127 -2.324 6.217 1.00 62.43 H new ATOM 1134 N LYS A 71 -6.880 -4.009 1.445 1.00 32.42 N ATOM 1135 CA LYS A 71 -7.736 -4.492 0.319 1.00 34.44 C ATOM 1136 C LYS A 71 -7.120 -4.122 -1.033 1.00 34.42 C ATOM 1137 O LYS A 71 -6.771 -4.980 -1.840 1.00 31.22 O ATOM 1138 CB LYS A 71 -9.141 -3.832 0.371 1.00 74.41 C ATOM 1139 CG LYS A 71 -10.090 -4.329 1.466 1.00 61.50 C ATOM 1140 CD LYS A 71 -11.194 -3.290 1.773 1.00 64.34 C ATOM 1141 CE LYS A 71 -11.973 -2.804 0.528 1.00 64.20 C ATOM 1142 NZ LYS A 71 -12.888 -1.673 0.849 1.00 62.24 N ATOM 0 H LYS A 71 -7.401 -3.517 2.171 1.00 32.42 H new ATOM 0 HA LYS A 71 -7.813 -5.574 0.424 1.00 34.44 H new ATOM 0 HB2 LYS A 71 -9.009 -2.757 0.496 1.00 74.41 H new ATOM 0 HB3 LYS A 71 -9.625 -3.983 -0.594 1.00 74.41 H new ATOM 0 HG2 LYS A 71 -10.548 -5.267 1.153 1.00 61.50 H new ATOM 0 HG3 LYS A 71 -9.523 -4.538 2.373 1.00 61.50 H new ATOM 0 HD2 LYS A 71 -11.899 -3.725 2.482 1.00 64.34 H new ATOM 0 HD3 LYS A 71 -10.740 -2.428 2.263 1.00 64.34 H new ATOM 0 HE2 LYS A 71 -11.268 -2.492 -0.242 1.00 64.20 H new ATOM 0 HE3 LYS A 71 -12.550 -3.632 0.116 1.00 64.20 H new ATOM 0 HZ1 LYS A 71 -13.391 -1.378 -0.012 1.00 62.24 H new ATOM 0 HZ2 LYS A 71 -13.578 -1.977 1.565 1.00 62.24 H new ATOM 0 HZ3 LYS A 71 -12.335 -0.873 1.218 1.00 62.24 H new ATOM 1156 N ASP A 72 -6.905 -2.811 -1.175 1.00 25.34 N ATOM 1157 CA ASP A 72 -6.527 -2.159 -2.421 1.00 24.45 C ATOM 1158 C ASP A 72 -5.773 -0.864 -2.093 1.00 13.34 C ATOM 1159 O ASP A 72 -5.433 -0.617 -0.924 1.00 41.12 O ATOM 1160 CB ASP A 72 -7.780 -1.910 -3.322 1.00 22.15 C ATOM 1161 CG ASP A 72 -8.904 -1.105 -2.648 1.00 12.04 C ATOM 1162 OD1 ASP A 72 -8.829 0.134 -2.634 1.00 44.01 O ATOM 1163 OD2 ASP A 72 -9.866 -1.709 -2.129 1.00 21.03 O ATOM 0 H ASP A 72 -6.994 -2.157 -0.397 1.00 25.34 H new ATOM 0 HA ASP A 72 -5.864 -2.806 -2.995 1.00 24.45 H new ATOM 0 HB2 ASP A 72 -7.464 -1.384 -4.223 1.00 22.15 H new ATOM 0 HB3 ASP A 72 -8.180 -2.873 -3.639 1.00 22.15 H new ATOM 1168 N LEU A 73 -5.469 -0.068 -3.126 1.00 45.22 N ATOM 1169 CA LEU A 73 -4.733 1.198 -2.962 1.00 20.32 C ATOM 1170 C LEU A 73 -5.586 2.183 -2.148 1.00 73.43 C ATOM 1171 O LEU A 73 -5.102 2.725 -1.154 1.00 33.13 O ATOM 1172 CB LEU A 73 -4.321 1.762 -4.354 1.00 35.41 C ATOM 1173 CG LEU A 73 -3.272 2.929 -4.424 1.00 40.14 C ATOM 1174 CD1 LEU A 73 -2.896 3.232 -5.894 1.00 33.31 C ATOM 1175 CD2 LEU A 73 -3.769 4.217 -3.742 1.00 0.21 C ATOM 0 H LEU A 73 -5.722 -0.278 -4.092 1.00 45.22 H new ATOM 0 HA LEU A 73 -3.810 1.030 -2.407 1.00 20.32 H new ATOM 0 HB2 LEU A 73 -3.929 0.932 -4.942 1.00 35.41 H new ATOM 0 HB3 LEU A 73 -5.228 2.105 -4.851 1.00 35.41 H new ATOM 0 HG LEU A 73 -2.392 2.588 -3.879 1.00 40.14 H new ATOM 0 HD11 LEU A 73 -2.168 4.043 -5.924 1.00 33.31 H new ATOM 0 HD12 LEU A 73 -2.465 2.341 -6.350 1.00 33.31 H new ATOM 0 HD13 LEU A 73 -3.789 3.526 -6.445 1.00 33.31 H new ATOM 0 HD21 LEU A 73 -3.004 4.989 -3.821 1.00 0.21 H new ATOM 0 HD22 LEU A 73 -4.681 4.559 -4.231 1.00 0.21 H new ATOM 0 HD23 LEU A 73 -3.974 4.016 -2.691 1.00 0.21 H new ATOM 1187 N ASN A 74 -6.852 2.375 -2.567 1.00 54.24 N ATOM 1188 CA ASN A 74 -7.762 3.372 -1.957 1.00 72.02 C ATOM 1189 C ASN A 74 -7.959 3.062 -0.453 1.00 33.30 C ATOM 1190 O ASN A 74 -7.986 3.975 0.374 1.00 23.40 O ATOM 1191 CB ASN A 74 -9.109 3.391 -2.741 1.00 33.01 C ATOM 1192 CG ASN A 74 -10.004 4.609 -2.467 1.00 54.04 C ATOM 1193 OD1 ASN A 74 -10.012 5.191 -1.380 1.00 5.22 O ATOM 1194 ND2 ASN A 74 -10.771 5.000 -3.477 1.00 44.11 N ATOM 0 H ASN A 74 -7.273 1.849 -3.332 1.00 54.24 H new ATOM 0 HA ASN A 74 -7.326 4.369 -2.023 1.00 72.02 H new ATOM 0 HB2 ASN A 74 -8.891 3.352 -3.808 1.00 33.01 H new ATOM 0 HB3 ASN A 74 -9.667 2.487 -2.496 1.00 33.01 H new ATOM 0 HD21 ASN A 74 -11.390 5.803 -3.366 1.00 44.11 H new ATOM 0 HD22 ASN A 74 -10.741 4.497 -4.364 1.00 44.11 H new ATOM 1201 N ALA A 75 -8.023 1.760 -0.126 1.00 62.25 N ATOM 1202 CA ALA A 75 -8.086 1.274 1.269 1.00 3.51 C ATOM 1203 C ALA A 75 -6.874 1.765 2.101 1.00 43.33 C ATOM 1204 O ALA A 75 -7.044 2.321 3.195 1.00 24.33 O ATOM 1205 CB ALA A 75 -8.176 -0.260 1.279 1.00 13.01 C ATOM 0 H ALA A 75 -8.033 1.012 -0.819 1.00 62.25 H new ATOM 0 HA ALA A 75 -8.980 1.686 1.736 1.00 3.51 H new ATOM 0 HB1 ALA A 75 -8.222 -0.615 2.309 1.00 13.01 H new ATOM 0 HB2 ALA A 75 -9.073 -0.575 0.746 1.00 13.01 H new ATOM 0 HB3 ALA A 75 -7.297 -0.679 0.790 1.00 13.01 H new ATOM 1211 N ILE A 76 -5.660 1.574 1.550 1.00 34.32 N ATOM 1212 CA ILE A 76 -4.392 1.987 2.193 1.00 14.43 C ATOM 1213 C ILE A 76 -4.280 3.514 2.262 1.00 40.15 C ATOM 1214 O ILE A 76 -3.812 4.038 3.271 1.00 74.10 O ATOM 1215 CB ILE A 76 -3.143 1.345 1.460 1.00 44.41 C ATOM 1216 CG1 ILE A 76 -3.170 -0.209 1.630 1.00 62.45 C ATOM 1217 CG2 ILE A 76 -1.793 1.931 1.965 1.00 25.13 C ATOM 1218 CD1 ILE A 76 -2.037 -0.975 0.972 1.00 73.31 C ATOM 0 H ILE A 76 -5.528 1.127 0.643 1.00 34.32 H new ATOM 0 HA ILE A 76 -4.398 1.612 3.216 1.00 14.43 H new ATOM 0 HB ILE A 76 -3.216 1.595 0.402 1.00 44.41 H new ATOM 0 HG12 ILE A 76 -3.164 -0.437 2.696 1.00 62.45 H new ATOM 0 HG13 ILE A 76 -4.113 -0.581 1.230 1.00 62.45 H new ATOM 0 HG21 ILE A 76 -0.969 1.458 1.431 1.00 25.13 H new ATOM 0 HG22 ILE A 76 -1.773 3.006 1.785 1.00 25.13 H new ATOM 0 HG23 ILE A 76 -1.690 1.740 3.033 1.00 25.13 H new ATOM 0 HD11 ILE A 76 -2.163 -2.042 1.158 1.00 73.31 H new ATOM 0 HD12 ILE A 76 -2.048 -0.790 -0.102 1.00 73.31 H new ATOM 0 HD13 ILE A 76 -1.085 -0.644 1.387 1.00 73.31 H new ATOM 1230 N SER A 77 -4.771 4.231 1.225 1.00 53.23 N ATOM 1231 CA SER A 77 -4.652 5.698 1.165 1.00 21.13 C ATOM 1232 C SER A 77 -5.534 6.367 2.244 1.00 50.35 C ATOM 1233 O SER A 77 -5.184 7.438 2.740 1.00 24.22 O ATOM 1234 CB SER A 77 -4.959 6.228 -0.258 1.00 21.25 C ATOM 1235 OG SER A 77 -6.272 5.929 -0.690 1.00 22.35 O ATOM 0 H SER A 77 -5.250 3.817 0.425 1.00 53.23 H new ATOM 0 HA SER A 77 -3.619 5.967 1.384 1.00 21.13 H new ATOM 0 HB2 SER A 77 -4.814 7.308 -0.276 1.00 21.25 H new ATOM 0 HB3 SER A 77 -4.245 5.799 -0.961 1.00 21.25 H new ATOM 0 HG SER A 77 -6.679 5.283 -0.076 1.00 22.35 H new ATOM 1241 N ARG A 78 -6.640 5.699 2.633 1.00 41.31 N ATOM 1242 CA ARG A 78 -7.537 6.193 3.706 1.00 10.20 C ATOM 1243 C ARG A 78 -6.944 5.892 5.089 1.00 72.25 C ATOM 1244 O ARG A 78 -7.078 6.699 6.017 1.00 74.31 O ATOM 1245 CB ARG A 78 -8.952 5.562 3.606 1.00 41.22 C ATOM 1246 CG ARG A 78 -9.667 5.802 2.264 1.00 35.44 C ATOM 1247 CD ARG A 78 -9.800 7.289 1.877 1.00 4.55 C ATOM 1248 NE ARG A 78 -10.098 7.441 0.439 1.00 33.41 N ATOM 1249 CZ ARG A 78 -9.657 8.434 -0.340 1.00 24.43 C ATOM 1250 NH1 ARG A 78 -8.897 9.405 0.152 1.00 45.02 N ATOM 1251 NH2 ARG A 78 -9.956 8.433 -1.627 1.00 5.21 N ATOM 0 H ARG A 78 -6.936 4.814 2.221 1.00 41.31 H new ATOM 0 HA ARG A 78 -7.629 7.271 3.575 1.00 10.20 H new ATOM 0 HB2 ARG A 78 -8.869 4.488 3.772 1.00 41.22 H new ATOM 0 HB3 ARG A 78 -9.571 5.961 4.409 1.00 41.22 H new ATOM 0 HG2 ARG A 78 -9.123 5.280 1.477 1.00 35.44 H new ATOM 0 HG3 ARG A 78 -10.662 5.360 2.311 1.00 35.44 H new ATOM 0 HD2 ARG A 78 -10.592 7.752 2.466 1.00 4.55 H new ATOM 0 HD3 ARG A 78 -8.876 7.814 2.117 1.00 4.55 H new ATOM 0 HE ARG A 78 -10.688 6.731 0.005 1.00 33.41 H new ATOM 0 HH11 ARG A 78 -8.640 9.401 1.139 1.00 45.02 H new ATOM 0 HH12 ARG A 78 -8.570 10.155 -0.457 1.00 45.02 H new ATOM 0 HH21 ARG A 78 -10.519 7.678 -2.019 1.00 5.21 H new ATOM 0 HH22 ARG A 78 -9.624 9.187 -2.228 1.00 5.21 H new ATOM 1265 N THR A 79 -6.310 4.718 5.214 1.00 52.44 N ATOM 1266 CA THR A 79 -5.700 4.273 6.476 1.00 51.42 C ATOM 1267 C THR A 79 -4.423 5.062 6.782 1.00 23.41 C ATOM 1268 O THR A 79 -4.161 5.408 7.925 1.00 73.42 O ATOM 1269 CB THR A 79 -5.390 2.745 6.447 1.00 1.11 C ATOM 1270 OG1 THR A 79 -6.574 2.045 6.055 1.00 23.11 O ATOM 1271 CG2 THR A 79 -4.901 2.211 7.819 1.00 42.21 C ATOM 0 H THR A 79 -6.205 4.053 4.448 1.00 52.44 H new ATOM 0 HA THR A 79 -6.423 4.463 7.269 1.00 51.42 H new ATOM 0 HB THR A 79 -4.583 2.579 5.733 1.00 1.11 H new ATOM 0 HG1 THR A 79 -6.771 1.343 6.710 1.00 23.11 H new ATOM 0 HG21 THR A 79 -4.700 1.142 7.743 1.00 42.21 H new ATOM 0 HG22 THR A 79 -3.989 2.732 8.108 1.00 42.21 H new ATOM 0 HG23 THR A 79 -5.671 2.382 8.571 1.00 42.21 H new ATOM 1279 N VAL A 80 -3.657 5.379 5.745 1.00 23.23 N ATOM 1280 CA VAL A 80 -2.335 5.986 5.912 1.00 21.32 C ATOM 1281 C VAL A 80 -2.462 7.491 6.218 1.00 74.02 C ATOM 1282 O VAL A 80 -1.663 8.032 6.982 1.00 14.35 O ATOM 1283 CB VAL A 80 -1.424 5.730 4.649 1.00 15.13 C ATOM 1284 CG1 VAL A 80 -1.845 6.580 3.428 1.00 22.21 C ATOM 1285 CG2 VAL A 80 0.058 5.942 4.983 1.00 41.25 C ATOM 0 H VAL A 80 -3.927 5.226 4.773 1.00 23.23 H new ATOM 0 HA VAL A 80 -1.849 5.510 6.764 1.00 21.32 H new ATOM 0 HB VAL A 80 -1.567 4.686 4.369 1.00 15.13 H new ATOM 0 HG11 VAL A 80 -1.184 6.363 2.589 1.00 22.21 H new ATOM 0 HG12 VAL A 80 -2.872 6.339 3.153 1.00 22.21 H new ATOM 0 HG13 VAL A 80 -1.776 7.638 3.680 1.00 22.21 H new ATOM 0 HG21 VAL A 80 0.661 5.759 4.094 1.00 41.25 H new ATOM 0 HG22 VAL A 80 0.212 6.967 5.321 1.00 41.25 H new ATOM 0 HG23 VAL A 80 0.356 5.251 5.772 1.00 41.25 H new ATOM 1295 N GLU A 81 -3.505 8.146 5.652 1.00 24.14 N ATOM 1296 CA GLU A 81 -3.706 9.602 5.811 1.00 14.35 C ATOM 1297 C GLU A 81 -4.161 9.925 7.232 1.00 73.13 C ATOM 1298 O GLU A 81 -3.698 10.905 7.834 1.00 62.20 O ATOM 1299 CB GLU A 81 -4.706 10.166 4.765 1.00 73.41 C ATOM 1300 CG GLU A 81 -6.147 9.626 4.864 1.00 61.44 C ATOM 1301 CD GLU A 81 -7.085 10.218 3.796 1.00 14.12 C ATOM 1302 OE1 GLU A 81 -7.560 11.356 3.986 1.00 45.04 O ATOM 1303 OE2 GLU A 81 -7.331 9.573 2.752 1.00 45.34 O ATOM 0 H GLU A 81 -4.217 7.688 5.083 1.00 24.14 H new ATOM 0 HA GLU A 81 -2.748 10.090 5.633 1.00 14.35 H new ATOM 0 HB2 GLU A 81 -4.736 11.251 4.865 1.00 73.41 H new ATOM 0 HB3 GLU A 81 -4.323 9.948 3.768 1.00 73.41 H new ATOM 0 HG2 GLU A 81 -6.130 8.541 4.764 1.00 61.44 H new ATOM 0 HG3 GLU A 81 -6.546 9.849 5.854 1.00 61.44 H new ATOM 1310 N GLN A 82 -5.042 9.070 7.777 1.00 22.11 N ATOM 1311 CA GLN A 82 -5.536 9.236 9.140 1.00 14.30 C ATOM 1312 C GLN A 82 -4.400 9.009 10.139 1.00 41.13 C ATOM 1313 O GLN A 82 -4.305 9.729 11.109 1.00 2.13 O ATOM 1314 CB GLN A 82 -6.733 8.302 9.447 1.00 21.43 C ATOM 1315 CG GLN A 82 -6.390 6.806 9.469 1.00 13.45 C ATOM 1316 CD GLN A 82 -7.506 5.937 10.013 1.00 14.43 C ATOM 1317 OE1 GLN A 82 -8.357 5.461 9.271 1.00 31.10 O ATOM 1318 NE2 GLN A 82 -7.523 5.750 11.321 1.00 2.42 N ATOM 0 H GLN A 82 -5.422 8.259 7.289 1.00 22.11 H new ATOM 0 HA GLN A 82 -5.901 10.259 9.238 1.00 14.30 H new ATOM 0 HB2 GLN A 82 -7.154 8.579 10.414 1.00 21.43 H new ATOM 0 HB3 GLN A 82 -7.510 8.472 8.701 1.00 21.43 H new ATOM 0 HG2 GLN A 82 -6.149 6.482 8.457 1.00 13.45 H new ATOM 0 HG3 GLN A 82 -5.496 6.655 10.074 1.00 13.45 H new ATOM 0 HE21 GLN A 82 -6.796 6.163 11.905 1.00 2.42 H new ATOM 0 HE22 GLN A 82 -8.263 5.192 11.747 1.00 2.42 H new ATOM 1327 N LEU A 83 -3.520 8.022 9.860 1.00 15.00 N ATOM 1328 CA LEU A 83 -2.397 7.676 10.752 1.00 60.12 C ATOM 1329 C LEU A 83 -1.354 8.793 10.798 1.00 63.44 C ATOM 1330 O LEU A 83 -0.733 8.990 11.840 1.00 51.14 O ATOM 1331 CB LEU A 83 -1.728 6.348 10.340 1.00 21.13 C ATOM 1332 CG LEU A 83 -2.566 5.048 10.514 1.00 63.41 C ATOM 1333 CD1 LEU A 83 -1.727 3.833 10.076 1.00 55.21 C ATOM 1334 CD2 LEU A 83 -3.090 4.882 11.964 1.00 22.31 C ATOM 0 H LEU A 83 -3.569 7.449 9.018 1.00 15.00 H new ATOM 0 HA LEU A 83 -2.817 7.552 11.750 1.00 60.12 H new ATOM 0 HB2 LEU A 83 -1.438 6.426 9.292 1.00 21.13 H new ATOM 0 HB3 LEU A 83 -0.810 6.238 10.917 1.00 21.13 H new ATOM 0 HG LEU A 83 -3.447 5.120 9.877 1.00 63.41 H new ATOM 0 HD11 LEU A 83 -2.314 2.923 10.198 1.00 55.21 H new ATOM 0 HD12 LEU A 83 -1.444 3.945 9.029 1.00 55.21 H new ATOM 0 HD13 LEU A 83 -0.829 3.771 10.690 1.00 55.21 H new ATOM 0 HD21 LEU A 83 -3.669 3.962 12.038 1.00 22.31 H new ATOM 0 HD22 LEU A 83 -2.246 4.837 12.653 1.00 22.31 H new ATOM 0 HD23 LEU A 83 -3.723 5.731 12.221 1.00 22.31 H new ATOM 1346 N LYS A 84 -1.166 9.508 9.664 1.00 73.44 N ATOM 1347 CA LYS A 84 -0.327 10.733 9.628 1.00 62.03 C ATOM 1348 C LYS A 84 -0.923 11.812 10.551 1.00 20.03 C ATOM 1349 O LYS A 84 -0.184 12.552 11.197 1.00 31.55 O ATOM 1350 CB LYS A 84 -0.150 11.292 8.179 1.00 10.32 C ATOM 1351 CG LYS A 84 0.565 10.338 7.211 1.00 3.31 C ATOM 1352 CD LYS A 84 0.908 10.943 5.816 1.00 72.33 C ATOM 1353 CE LYS A 84 -0.317 11.410 4.995 1.00 2.11 C ATOM 1354 NZ LYS A 84 -0.884 12.700 5.469 1.00 75.31 N ATOM 0 H LYS A 84 -1.581 9.261 8.766 1.00 73.44 H new ATOM 0 HA LYS A 84 0.665 10.457 9.987 1.00 62.03 H new ATOM 0 HB2 LYS A 84 -1.133 11.532 7.773 1.00 10.32 H new ATOM 0 HB3 LYS A 84 0.410 12.226 8.229 1.00 10.32 H new ATOM 0 HG2 LYS A 84 1.489 9.997 7.678 1.00 3.31 H new ATOM 0 HG3 LYS A 84 -0.062 9.458 7.064 1.00 3.31 H new ATOM 0 HD2 LYS A 84 1.578 11.791 5.958 1.00 72.33 H new ATOM 0 HD3 LYS A 84 1.454 10.199 5.237 1.00 72.33 H new ATOM 0 HE2 LYS A 84 -0.028 11.510 3.949 1.00 2.11 H new ATOM 0 HE3 LYS A 84 -1.090 10.643 5.040 1.00 2.11 H new ATOM 0 HZ1 LYS A 84 -1.824 12.535 5.883 1.00 75.31 H new ATOM 0 HZ2 LYS A 84 -0.256 13.112 6.188 1.00 75.31 H new ATOM 0 HZ3 LYS A 84 -0.970 13.357 4.667 1.00 75.31 H new ATOM 1368 N ALA A 85 -2.262 11.859 10.615 1.00 74.50 N ATOM 1369 CA ALA A 85 -3.011 12.760 11.510 1.00 60.23 C ATOM 1370 C ALA A 85 -2.973 12.264 12.981 1.00 72.42 C ATOM 1371 O ALA A 85 -2.955 13.068 13.914 1.00 73.00 O ATOM 1372 CB ALA A 85 -4.458 12.885 11.004 1.00 42.03 C ATOM 0 H ALA A 85 -2.863 11.267 10.042 1.00 74.50 H new ATOM 0 HA ALA A 85 -2.539 13.742 11.497 1.00 60.23 H new ATOM 0 HB1 ALA A 85 -5.017 13.550 11.662 1.00 42.03 H new ATOM 0 HB2 ALA A 85 -4.456 13.292 9.993 1.00 42.03 H new ATOM 0 HB3 ALA A 85 -4.928 11.901 10.998 1.00 42.03 H new ATOM 1378 N GLU A 86 -2.943 10.930 13.164 1.00 12.52 N ATOM 1379 CA GLU A 86 -2.950 10.281 14.498 1.00 3.03 C ATOM 1380 C GLU A 86 -1.562 10.355 15.157 1.00 74.12 C ATOM 1381 O GLU A 86 -1.453 10.357 16.388 1.00 41.25 O ATOM 1382 CB GLU A 86 -3.394 8.792 14.387 1.00 61.12 C ATOM 1383 CG GLU A 86 -4.853 8.568 13.929 1.00 73.41 C ATOM 1384 CD GLU A 86 -5.897 9.193 14.868 1.00 52.11 C ATOM 1385 OE1 GLU A 86 -6.106 8.658 15.974 1.00 1.40 O ATOM 1386 OE2 GLU A 86 -6.519 10.212 14.504 1.00 74.44 O ATOM 0 H GLU A 86 -2.913 10.266 12.390 1.00 12.52 H new ATOM 0 HA GLU A 86 -3.664 10.821 15.120 1.00 3.03 H new ATOM 0 HB2 GLU A 86 -2.730 8.283 13.688 1.00 61.12 H new ATOM 0 HB3 GLU A 86 -3.259 8.317 15.359 1.00 61.12 H new ATOM 0 HG2 GLU A 86 -4.979 8.986 12.930 1.00 73.41 H new ATOM 0 HG3 GLU A 86 -5.040 7.497 13.853 1.00 73.41 H new ATOM 1393 N SER A 87 -0.514 10.379 14.324 1.00 63.03 N ATOM 1394 CA SER A 87 0.880 10.504 14.785 1.00 54.32 C ATOM 1395 C SER A 87 1.255 11.990 14.931 1.00 52.40 C ATOM 1396 O SER A 87 2.075 12.349 15.784 1.00 64.10 O ATOM 1397 CB SER A 87 1.825 9.771 13.810 1.00 23.11 C ATOM 1398 OG SER A 87 1.636 10.210 12.478 1.00 13.13 O ATOM 0 H SER A 87 -0.606 10.312 13.310 1.00 63.03 H new ATOM 0 HA SER A 87 0.984 10.037 15.764 1.00 54.32 H new ATOM 0 HB2 SER A 87 2.860 9.941 14.107 1.00 23.11 H new ATOM 0 HB3 SER A 87 1.649 8.697 13.869 1.00 23.11 H new ATOM 0 HG SER A 87 0.847 9.771 12.098 1.00 13.13 H new ATOM 1404 N ALA A 88 0.657 12.854 14.087 1.00 23.24 N ATOM 1405 CA ALA A 88 0.779 14.315 14.228 1.00 54.22 C ATOM 1406 C ALA A 88 -0.025 14.810 15.443 1.00 4.13 C ATOM 1407 O ALA A 88 -0.944 14.131 15.919 1.00 43.25 O ATOM 1408 CB ALA A 88 0.323 15.024 12.947 1.00 35.22 C ATOM 0 H ALA A 88 0.082 12.561 13.297 1.00 23.24 H new ATOM 0 HA ALA A 88 1.829 14.557 14.393 1.00 54.22 H new ATOM 0 HB1 ALA A 88 0.421 16.102 13.073 1.00 35.22 H new ATOM 0 HB2 ALA A 88 0.942 14.698 12.111 1.00 35.22 H new ATOM 0 HB3 ALA A 88 -0.719 14.776 12.745 1.00 35.22 H new ATOM 1414 N LEU A 89 0.366 15.983 15.948 1.00 40.12 N ATOM 1415 CA LEU A 89 -0.341 16.676 17.040 1.00 42.42 C ATOM 1416 C LEU A 89 -1.681 17.267 16.543 1.00 1.42 C ATOM 1417 O LEU A 89 -2.583 17.541 17.343 1.00 63.43 O ATOM 1418 CB LEU A 89 0.561 17.795 17.658 1.00 0.44 C ATOM 1419 CG LEU A 89 0.806 19.117 16.844 1.00 52.41 C ATOM 1420 CD1 LEU A 89 1.732 20.053 17.643 1.00 12.13 C ATOM 1421 CD2 LEU A 89 1.397 18.861 15.439 1.00 41.31 C ATOM 0 H LEU A 89 1.187 16.486 15.612 1.00 40.12 H new ATOM 0 HA LEU A 89 -0.562 15.945 17.818 1.00 42.42 H new ATOM 0 HB2 LEU A 89 0.125 18.076 18.617 1.00 0.44 H new ATOM 0 HB3 LEU A 89 1.535 17.353 17.868 1.00 0.44 H new ATOM 0 HG LEU A 89 -0.167 19.586 16.694 1.00 52.41 H new ATOM 0 HD11 LEU A 89 1.900 20.969 17.076 1.00 12.13 H new ATOM 0 HD12 LEU A 89 1.266 20.297 18.598 1.00 12.13 H new ATOM 0 HD13 LEU A 89 2.686 19.556 17.821 1.00 12.13 H new ATOM 0 HD21 LEU A 89 1.543 19.812 14.927 1.00 41.31 H new ATOM 0 HD22 LEU A 89 2.355 18.349 15.535 1.00 41.31 H new ATOM 0 HD23 LEU A 89 0.710 18.241 14.863 1.00 41.31 H new ATOM 1433 N GLU A 90 -1.783 17.463 15.212 1.00 35.53 N ATOM 1434 CA GLU A 90 -2.966 18.041 14.550 1.00 64.30 C ATOM 1435 C GLU A 90 -3.971 16.914 14.155 1.00 24.21 C ATOM 1436 O GLU A 90 -5.045 16.828 14.790 1.00 73.13 O ATOM 1437 CB GLU A 90 -2.511 18.919 13.337 1.00 72.03 C ATOM 1438 CG GLU A 90 -1.536 18.231 12.351 1.00 52.52 C ATOM 1439 CD GLU A 90 -0.910 19.198 11.331 1.00 41.03 C ATOM 1440 OE1 GLU A 90 -1.552 19.509 10.302 1.00 40.23 O ATOM 1441 OE2 GLU A 90 0.230 19.667 11.568 1.00 63.14 O ATOM 1442 OXT GLU A 90 -3.661 16.071 13.282 1.00 37.44 O ATOM 0 H GLU A 90 -1.036 17.221 14.561 1.00 35.53 H new ATOM 0 HA GLU A 90 -3.500 18.698 15.237 1.00 64.30 H new ATOM 0 HB2 GLU A 90 -3.397 19.234 12.786 1.00 72.03 H new ATOM 0 HB3 GLU A 90 -2.036 19.822 13.721 1.00 72.03 H new ATOM 0 HG2 GLU A 90 -0.740 17.748 12.917 1.00 52.52 H new ATOM 0 HG3 GLU A 90 -2.068 17.445 11.815 1.00 52.52 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 3.025 -13.345 7.851 1.00 73.24 P HETATM 1451 O25 4EM A 101 2.260 -14.615 7.703 1.00 42.13 O HETATM 1452 O26 4EM A 101 4.389 -13.475 8.417 1.00 73.25 O HETATM 1453 O27 4EM A 101 2.149 -12.306 8.702 1.00 74.10 O HETATM 1454 C28 4EM A 101 2.651 -10.985 8.950 1.00 33.23 C HETATM 1455 C29 4EM A 101 1.786 -10.222 9.959 1.00 51.43 C HETATM 1456 C30 4EM A 101 0.352 -10.179 9.421 1.00 2.43 C HETATM 1457 C31 4EM A 101 2.308 -8.788 10.099 1.00 3.30 C HETATM 1458 C32 4EM A 101 1.791 -10.951 11.310 1.00 63.32 C HETATM 1459 O33 4EM A 101 3.145 -11.154 11.765 1.00 60.15 O HETATM 1460 C34 4EM A 101 1.021 -10.161 12.405 1.00 71.50 C HETATM 1461 O35 4EM A 101 1.637 -9.383 13.142 1.00 64.34 O HETATM 1462 N36 4EM A 101 -0.306 -10.361 12.524 1.00 4.12 N HETATM 1463 C37 4EM A 101 -1.168 -9.679 13.521 1.00 4.20 C HETATM 1464 C38 4EM A 101 -2.482 -9.130 12.919 1.00 41.41 C HETATM 1465 C39 4EM A 101 -3.426 -10.192 12.337 1.00 31.30 C HETATM 1466 O40 4EM A 101 -3.302 -11.386 12.629 1.00 14.15 O HETATM 1467 N41 4EM A 101 -4.367 -9.733 11.495 1.00 35.12 N HETATM 1468 C42 4EM A 101 -5.399 -10.554 10.827 1.00 1.35 C HETATM 1469 C43 4EM A 101 -5.600 -10.202 9.345 1.00 53.15 C HETATM 1470 N44 4EM A 101 -4.472 -10.437 8.659 1.00 73.32 N HETATM 1471 C45 4EM A 101 -3.940 -9.579 7.787 1.00 55.34 C HETATM 1472 O46 4EM A 101 -4.409 -8.474 7.500 1.00 13.15 O HETATM 1473 C47 4EM A 101 -2.825 -10.016 7.202 1.00 61.31 C HETATM 1474 C49 4EM A 101 -2.056 -9.306 6.379 1.00 4.21 C HETATM 1475 C51 4EM A 101 -1.028 -10.082 6.052 1.00 31.34 C HETATM 1476 C50 4EM A 101 -1.168 -11.249 6.675 1.00 65.00 C HETATM 1477 N48 4EM A 101 -2.277 -11.212 7.402 1.00 62.10 N