USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 1.01 K(o=2,f=-1.4!) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.973 K(o=2,f=-1.4) USER MOD Set 2.1: A 44 MET CE :methyl -178:sc= -0.0145 (180deg=-0.0226) USER MOD Set 2.2: A 55 MET CE :methyl 163:sc= -0.0208 (180deg=-0.286) USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.152 K(o=-0.15,f=-4.4!) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 1.28 (180deg=-0.691) USER MOD Single : A 25 GLN : amide:sc= 0.484 K(o=0.48,f=-0.41) USER MOD Single : A 28 SER OG : rot -96:sc= 0.752 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -109:sc= 1.2 (180deg=-0.919) USER MOD Single : A 37 HIS : no HD1:sc= 0.951 K(o=0.95,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot -86:sc= 0.555 USER MOD Single : A 41 SER OG : rot -141:sc= 1.37 USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= 1.02! (180deg=-1.37) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -81:sc= -0.701 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 65 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.24) USER MOD Single : A 68 ASN : amide:sc= 0.73 K(o=0.73,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 75 GLN : amide:sc= -0.0222 K(o=-0.022,f=-0.7) USER MOD Single : A 78 MET CE :methyl 142:sc= -0.0219 (180deg=-1.15) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.484 K(o=0.48,f=-4.7!) USER MOD Single : A 90 GLN : amide:sc= -0.61 K(o=-0.61,f=-3.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.779 23.180 6.391 1.00 10.00 N ATOM 2 CA ASP A 16 -6.000 22.358 6.505 1.00 10.00 C ATOM 3 C ASP A 16 -5.668 20.901 6.241 1.00 10.00 C ATOM 4 O ASP A 16 -4.548 20.571 5.853 1.00 10.00 O ATOM 5 CB ASP A 16 -7.068 22.827 5.512 1.00 10.00 C ATOM 6 CG ASP A 16 -7.651 24.176 5.873 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.745 24.213 6.481 1.00 10.00 O ATOM 8 OD2 ASP A 16 -7.020 25.203 5.550 1.00 10.00 O ATOM 0 HA ASP A 16 -6.392 22.467 7.516 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.632 22.880 4.514 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.869 22.089 5.471 1.00 10.00 H new ATOM 13 N HIS A 17 -6.641 20.034 6.455 1.00 10.00 N ATOM 14 CA HIS A 17 -6.454 18.612 6.222 1.00 10.00 C ATOM 15 C HIS A 17 -7.423 18.134 5.152 1.00 10.00 C ATOM 16 O HIS A 17 -8.596 18.514 5.155 1.00 10.00 O ATOM 17 CB HIS A 17 -6.655 17.820 7.515 1.00 10.00 C ATOM 18 CG HIS A 17 -5.375 17.402 8.170 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.684 18.245 9.006 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.708 16.226 8.080 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.620 17.570 9.401 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.591 16.342 8.869 1.00 10.00 N ATOM 0 H HIS A 17 -7.570 20.289 6.790 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.433 18.445 5.878 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.231 18.425 8.216 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.249 16.932 7.298 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.999 15.363 7.499 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -2.867 17.960 10.070 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.877 15.630 9.021 1.00 10.00 H new ATOM 30 N ILE A 18 -6.933 17.311 4.243 1.00 10.00 N ATOM 31 CA ILE A 18 -7.753 16.791 3.160 1.00 10.00 C ATOM 32 C ILE A 18 -8.195 15.368 3.483 1.00 10.00 C ATOM 33 O ILE A 18 -7.476 14.621 4.152 1.00 10.00 O ATOM 34 CB ILE A 18 -6.990 16.833 1.810 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.896 16.411 0.649 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.748 15.958 1.859 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.235 16.531 -0.708 1.00 10.00 C ATOM 0 H ILE A 18 -5.966 16.986 4.232 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.635 17.423 3.061 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.678 17.863 1.640 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.211 15.379 0.801 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.797 17.024 0.661 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.232 16.005 0.900 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -5.084 16.313 2.647 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -6.037 14.927 2.065 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.934 16.216 -1.482 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.945 17.567 -0.881 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.349 15.896 -0.739 1.00 10.00 H new ATOM 49 N ASN A 19 -9.390 15.010 3.047 1.00 10.00 N ATOM 50 CA ASN A 19 -9.922 13.679 3.291 1.00 10.00 C ATOM 51 C ASN A 19 -9.706 12.800 2.068 1.00 10.00 C ATOM 52 O ASN A 19 -10.422 12.918 1.080 1.00 10.00 O ATOM 53 CB ASN A 19 -11.416 13.758 3.623 1.00 10.00 C ATOM 54 CG ASN A 19 -11.966 12.473 4.218 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.471 11.378 3.954 1.00 10.00 O ATOM 56 ND2 ASN A 19 -13.009 12.602 5.024 1.00 10.00 N ATOM 0 H ASN A 19 -10.012 15.623 2.521 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.397 13.241 4.140 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.583 14.576 4.324 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.971 13.997 2.716 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -13.430 11.776 5.450 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -13.392 13.527 5.219 1.00 10.00 H new ATOM 63 N LEU A 20 -8.707 11.936 2.121 1.00 10.00 N ATOM 64 CA LEU A 20 -8.424 11.052 1.000 1.00 10.00 C ATOM 65 C LEU A 20 -8.931 9.647 1.288 1.00 10.00 C ATOM 66 O LEU A 20 -8.748 9.122 2.388 1.00 10.00 O ATOM 67 CB LEU A 20 -6.925 11.032 0.682 1.00 10.00 C ATOM 68 CG LEU A 20 -6.398 12.276 -0.042 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.951 12.080 -0.456 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.258 12.599 -1.256 1.00 10.00 C ATOM 0 H LEU A 20 -8.082 11.827 2.920 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.948 11.435 0.125 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.373 10.912 1.614 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.711 10.156 0.070 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.450 13.118 0.649 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.595 12.974 -0.968 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.340 11.902 0.429 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.877 11.224 -1.126 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.866 13.485 -1.754 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.242 11.757 -1.948 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.283 12.786 -0.936 1.00 10.00 H new ATOM 82 N LYS A 21 -9.569 9.046 0.295 1.00 10.00 N ATOM 83 CA LYS A 21 -10.124 7.714 0.443 1.00 10.00 C ATOM 84 C LYS A 21 -9.365 6.703 -0.403 1.00 10.00 C ATOM 85 O LYS A 21 -9.364 6.774 -1.634 1.00 10.00 O ATOM 86 CB LYS A 21 -11.601 7.707 0.037 1.00 10.00 C ATOM 87 CG LYS A 21 -12.499 8.503 0.967 1.00 10.00 C ATOM 88 CD LYS A 21 -13.899 8.642 0.391 1.00 10.00 C ATOM 89 CE LYS A 21 -14.849 9.305 1.372 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.174 9.584 0.758 1.00 10.00 N ATOM 0 H LYS A 21 -9.714 9.464 -0.624 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.030 7.431 1.491 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.692 8.109 -0.972 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.953 6.676 0.002 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.549 8.011 1.938 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.071 9.492 1.133 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.858 9.228 -0.527 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.282 7.657 0.124 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.980 8.661 2.242 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.411 10.237 1.729 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.400 10.594 0.864 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.147 9.340 -0.253 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.903 9.014 1.232 1.00 10.00 H new ATOM 104 N VAL A 22 -8.708 5.772 0.258 1.00 10.00 N ATOM 105 CA VAL A 22 -7.971 4.727 -0.427 1.00 10.00 C ATOM 106 C VAL A 22 -8.744 3.425 -0.289 1.00 10.00 C ATOM 107 O VAL A 22 -9.013 2.976 0.827 1.00 10.00 O ATOM 108 CB VAL A 22 -6.546 4.560 0.139 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.767 3.522 -0.650 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.811 5.889 0.143 1.00 10.00 C ATOM 0 H VAL A 22 -8.669 5.717 1.276 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.867 5.003 -1.476 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.631 4.211 1.168 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.766 3.423 -0.231 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.280 2.562 -0.594 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.695 3.835 -1.692 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.808 5.749 0.546 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.743 6.270 -0.876 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.354 6.603 0.762 1.00 10.00 H new ATOM 120 N ALA A 23 -9.119 2.828 -1.407 1.00 10.00 N ATOM 121 CA ALA A 23 -9.894 1.597 -1.378 1.00 10.00 C ATOM 122 C ALA A 23 -9.167 0.455 -2.070 1.00 10.00 C ATOM 123 O ALA A 23 -8.752 0.573 -3.226 1.00 10.00 O ATOM 124 CB ALA A 23 -11.254 1.820 -2.019 1.00 10.00 C ATOM 0 H ALA A 23 -8.902 3.172 -2.342 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.029 1.316 -0.334 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.826 0.892 -1.992 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.792 2.594 -1.471 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.121 2.134 -3.054 1.00 10.00 H new ATOM 130 N GLY A 24 -9.019 -0.651 -1.356 1.00 10.00 N ATOM 131 CA GLY A 24 -8.357 -1.809 -1.912 1.00 10.00 C ATOM 132 C GLY A 24 -9.277 -2.608 -2.815 1.00 10.00 C ATOM 133 O GLY A 24 -10.492 -2.387 -2.820 1.00 10.00 O ATOM 0 H GLY A 24 -9.348 -0.766 -0.397 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.481 -1.490 -2.477 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.000 -2.446 -1.103 1.00 10.00 H new ATOM 137 N GLN A 25 -8.709 -3.547 -3.561 1.00 10.00 N ATOM 138 CA GLN A 25 -9.494 -4.376 -4.474 1.00 10.00 C ATOM 139 C GLN A 25 -10.347 -5.366 -3.697 1.00 10.00 C ATOM 140 O GLN A 25 -11.345 -5.881 -4.203 1.00 10.00 O ATOM 141 CB GLN A 25 -8.586 -5.120 -5.452 1.00 10.00 C ATOM 142 CG GLN A 25 -7.775 -4.196 -6.341 1.00 10.00 C ATOM 143 CD GLN A 25 -8.628 -3.146 -7.030 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.720 -3.435 -7.520 1.00 10.00 O ATOM 145 NE2 GLN A 25 -8.148 -1.915 -7.042 1.00 10.00 N ATOM 0 H GLN A 25 -7.710 -3.755 -3.554 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.150 -3.719 -5.044 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.906 -5.761 -4.890 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.195 -5.772 -6.078 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.011 -3.701 -5.742 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.256 -4.788 -7.095 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.238 -1.718 -6.625 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.687 -1.161 -7.469 1.00 10.00 H new ATOM 154 N ASP A 26 -9.948 -5.621 -2.463 1.00 10.00 N ATOM 155 CA ASP A 26 -10.665 -6.538 -1.593 1.00 10.00 C ATOM 156 C ASP A 26 -11.939 -5.881 -1.073 1.00 10.00 C ATOM 157 O ASP A 26 -13.014 -6.486 -1.089 1.00 10.00 O ATOM 158 CB ASP A 26 -9.776 -6.978 -0.422 1.00 10.00 C ATOM 159 CG ASP A 26 -9.306 -5.817 0.437 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.014 -4.740 -0.118 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.232 -5.978 1.671 1.00 10.00 O ATOM 0 H ASP A 26 -9.122 -5.201 -2.037 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.936 -7.422 -2.170 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.327 -7.683 0.200 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.908 -7.509 -0.812 1.00 10.00 H new ATOM 166 N GLY A 27 -11.818 -4.637 -0.631 1.00 10.00 N ATOM 167 CA GLY A 27 -12.967 -3.917 -0.125 1.00 10.00 C ATOM 168 C GLY A 27 -12.644 -3.029 1.058 1.00 10.00 C ATOM 169 O GLY A 27 -13.523 -2.329 1.563 1.00 10.00 O ATOM 0 H GLY A 27 -10.943 -4.114 -0.614 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.386 -3.307 -0.925 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.736 -4.632 0.166 1.00 10.00 H new ATOM 173 N SER A 28 -11.398 -3.047 1.509 1.00 10.00 N ATOM 174 CA SER A 28 -11.009 -2.220 2.640 1.00 10.00 C ATOM 175 C SER A 28 -10.845 -0.766 2.217 1.00 10.00 C ATOM 176 O SER A 28 -10.099 -0.458 1.285 1.00 10.00 O ATOM 177 CB SER A 28 -9.713 -2.736 3.271 1.00 10.00 C ATOM 178 OG SER A 28 -8.838 -3.277 2.293 1.00 10.00 O ATOM 0 H SER A 28 -10.649 -3.617 1.115 1.00 10.00 H new ATOM 0 HA SER A 28 -11.803 -2.277 3.384 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.214 -1.922 3.797 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.947 -3.499 4.013 1.00 10.00 H new ATOM 0 HG SER A 28 -8.956 -4.249 2.250 1.00 10.00 H new ATOM 184 N VAL A 29 -11.571 0.121 2.879 1.00 10.00 N ATOM 185 CA VAL A 29 -11.485 1.536 2.584 1.00 10.00 C ATOM 186 C VAL A 29 -10.901 2.264 3.784 1.00 10.00 C ATOM 187 O VAL A 29 -11.384 2.127 4.911 1.00 10.00 O ATOM 188 CB VAL A 29 -12.855 2.141 2.180 1.00 10.00 C ATOM 189 CG1 VAL A 29 -13.888 1.996 3.291 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.700 3.603 1.777 1.00 10.00 C ATOM 0 H VAL A 29 -12.226 -0.118 3.624 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.829 1.663 1.723 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.219 1.579 1.320 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -14.833 2.432 2.968 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.034 0.940 3.516 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.537 2.512 4.184 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.672 4.008 1.497 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.298 4.171 2.616 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.019 3.676 0.929 1.00 10.00 H new ATOM 200 N VAL A 30 -9.832 2.999 3.552 1.00 10.00 N ATOM 201 CA VAL A 30 -9.174 3.723 4.619 1.00 10.00 C ATOM 202 C VAL A 30 -9.336 5.227 4.458 1.00 10.00 C ATOM 203 O VAL A 30 -9.332 5.749 3.341 1.00 10.00 O ATOM 204 CB VAL A 30 -7.665 3.400 4.690 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.427 1.941 5.030 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.967 3.753 3.389 1.00 10.00 C ATOM 0 H VAL A 30 -9.401 3.110 2.634 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.655 3.399 5.542 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.242 4.011 5.487 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.355 1.747 5.072 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.875 1.715 5.998 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.880 1.311 4.265 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -5.906 3.515 3.469 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.407 3.180 2.573 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.086 4.818 3.190 1.00 10.00 H new ATOM 216 N GLN A 31 -9.498 5.911 5.580 1.00 10.00 N ATOM 217 CA GLN A 31 -9.615 7.357 5.582 1.00 10.00 C ATOM 218 C GLN A 31 -8.243 7.938 5.884 1.00 10.00 C ATOM 219 O GLN A 31 -7.718 7.759 6.985 1.00 10.00 O ATOM 220 CB GLN A 31 -10.634 7.830 6.620 1.00 10.00 C ATOM 221 CG GLN A 31 -11.070 9.272 6.415 1.00 10.00 C ATOM 222 CD GLN A 31 -11.892 9.813 7.568 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.545 9.062 8.291 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.870 11.127 7.743 1.00 10.00 N ATOM 0 H GLN A 31 -9.551 5.483 6.504 1.00 10.00 H new ATOM 0 HA GLN A 31 -9.967 7.697 4.608 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.510 7.183 6.581 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.204 7.725 7.616 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.187 9.897 6.281 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.653 9.342 5.496 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.315 11.715 7.121 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.408 11.550 8.500 1.00 10.00 H new ATOM 233 N PHE A 32 -7.653 8.593 4.902 1.00 10.00 N ATOM 234 CA PHE A 32 -6.327 9.162 5.062 1.00 10.00 C ATOM 235 C PHE A 32 -6.379 10.621 5.490 1.00 10.00 C ATOM 236 O PHE A 32 -6.875 11.481 4.762 1.00 10.00 O ATOM 237 CB PHE A 32 -5.534 9.037 3.762 1.00 10.00 C ATOM 238 CG PHE A 32 -4.476 7.973 3.801 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.723 6.718 3.276 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.239 8.229 4.364 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.752 5.738 3.305 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.263 7.252 4.398 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.522 6.004 3.869 1.00 10.00 C ATOM 0 H PHE A 32 -8.071 8.745 3.984 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.829 8.599 5.851 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.223 8.822 2.945 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.065 9.995 3.539 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.687 6.502 2.838 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.034 9.204 4.782 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.955 4.763 2.886 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.300 7.464 4.838 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.762 5.237 3.897 1.00 10.00 H new ATOM 253 N LYS A 33 -5.864 10.884 6.682 1.00 10.00 N ATOM 254 CA LYS A 33 -5.805 12.235 7.215 1.00 10.00 C ATOM 255 C LYS A 33 -4.475 12.873 6.835 1.00 10.00 C ATOM 256 O LYS A 33 -3.514 12.813 7.604 1.00 10.00 O ATOM 257 CB LYS A 33 -5.941 12.224 8.738 1.00 10.00 C ATOM 258 CG LYS A 33 -7.366 12.357 9.237 1.00 10.00 C ATOM 259 CD LYS A 33 -7.393 12.648 10.729 1.00 10.00 C ATOM 260 CE LYS A 33 -8.779 13.058 11.193 1.00 10.00 C ATOM 261 NZ LYS A 33 -8.751 13.667 12.547 1.00 10.00 N ATOM 0 H LYS A 33 -5.478 10.172 7.302 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.630 12.809 6.794 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -5.519 11.295 9.122 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.346 13.039 9.150 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -7.871 13.158 8.697 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.915 11.438 9.032 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.071 11.763 11.279 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.682 13.442 10.958 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -9.204 13.768 10.484 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.432 12.186 11.201 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.716 13.933 12.828 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -8.369 12.981 13.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -8.148 14.514 12.534 1.00 10.00 H new ATOM 275 N ILE A 34 -4.407 13.453 5.642 1.00 10.00 N ATOM 276 CA ILE A 34 -3.176 14.083 5.184 1.00 10.00 C ATOM 277 C ILE A 34 -3.424 15.538 4.778 1.00 10.00 C ATOM 278 O ILE A 34 -4.559 16.013 4.821 1.00 10.00 O ATOM 279 CB ILE A 34 -2.531 13.307 3.999 1.00 10.00 C ATOM 280 CG1 ILE A 34 -3.109 13.750 2.657 1.00 10.00 C ATOM 281 CG2 ILE A 34 -2.714 11.808 4.169 1.00 10.00 C ATOM 282 CD1 ILE A 34 -2.244 13.364 1.477 1.00 10.00 C ATOM 0 H ILE A 34 -5.182 13.500 4.981 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.479 14.060 6.022 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.466 13.538 4.006 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.099 13.311 2.533 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -3.239 14.832 2.665 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.255 11.288 3.328 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -2.241 11.487 5.097 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.778 11.573 4.204 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -2.712 13.708 0.555 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -1.262 13.825 1.580 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -2.134 12.280 1.445 1.00 10.00 H new ATOM 294 N LYS A 35 -2.367 16.251 4.400 1.00 10.00 N ATOM 295 CA LYS A 35 -2.499 17.640 3.978 1.00 10.00 C ATOM 296 C LYS A 35 -2.415 17.740 2.458 1.00 10.00 C ATOM 297 O LYS A 35 -2.089 16.767 1.782 1.00 10.00 O ATOM 298 CB LYS A 35 -1.423 18.517 4.618 1.00 10.00 C ATOM 299 CG LYS A 35 -1.604 18.719 6.113 1.00 10.00 C ATOM 300 CD LYS A 35 -1.240 20.138 6.524 1.00 10.00 C ATOM 301 CE LYS A 35 -1.335 20.326 8.029 1.00 10.00 C ATOM 302 NZ LYS A 35 -0.081 19.931 8.720 1.00 10.00 N ATOM 0 H LYS A 35 -1.413 15.891 4.378 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.473 18.000 4.308 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.447 18.067 4.437 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.422 19.490 4.127 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.638 18.512 6.388 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.981 18.009 6.657 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -0.227 20.365 6.192 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -1.905 20.844 6.026 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.557 21.370 8.250 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -2.164 19.734 8.417 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -0.239 19.050 9.250 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.671 19.781 8.017 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.205 20.684 9.378 1.00 10.00 H new ATOM 316 N ARG A 36 -2.673 18.926 1.923 1.00 10.00 N ATOM 317 CA ARG A 36 -2.644 19.134 0.477 1.00 10.00 C ATOM 318 C ARG A 36 -1.224 19.385 -0.039 1.00 10.00 C ATOM 319 O ARG A 36 -1.042 19.954 -1.115 1.00 10.00 O ATOM 320 CB ARG A 36 -3.560 20.299 0.092 1.00 10.00 C ATOM 321 CG ARG A 36 -5.028 19.910 0.017 1.00 10.00 C ATOM 322 CD ARG A 36 -5.913 21.112 -0.276 1.00 10.00 C ATOM 323 NE ARG A 36 -6.993 20.786 -1.212 1.00 10.00 N ATOM 324 CZ ARG A 36 -8.155 20.229 -0.861 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.416 19.964 0.415 1.00 10.00 N ATOM 326 NH2 ARG A 36 -9.061 19.949 -1.790 1.00 10.00 N ATOM 0 H ARG A 36 -2.904 19.758 2.465 1.00 10.00 H new ATOM 0 HA ARG A 36 -3.005 18.219 0.008 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.441 21.102 0.820 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.246 20.695 -0.874 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.166 19.158 -0.760 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -5.333 19.455 0.959 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.341 21.482 0.656 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.305 21.917 -0.690 1.00 10.00 H new ATOM 0 HE ARG A 36 -6.847 20.999 -2.199 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.727 20.186 1.133 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.306 19.539 0.676 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -8.869 20.159 -2.769 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.949 19.524 -1.524 1.00 10.00 H new ATOM 340 N HIS A 37 -0.224 18.958 0.720 1.00 10.00 N ATOM 341 CA HIS A 37 1.167 19.140 0.313 1.00 10.00 C ATOM 342 C HIS A 37 2.021 17.927 0.694 1.00 10.00 C ATOM 343 O HIS A 37 3.109 17.734 0.153 1.00 10.00 O ATOM 344 CB HIS A 37 1.754 20.427 0.919 1.00 10.00 C ATOM 345 CG HIS A 37 2.155 20.310 2.360 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.472 20.200 2.729 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.382 20.280 3.470 1.00 10.00 C ATOM 348 CE1 HIS A 37 3.470 20.109 4.047 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.227 20.150 4.541 1.00 10.00 N ATOM 0 H HIS A 37 -0.346 18.486 1.616 1.00 10.00 H new ATOM 0 HA HIS A 37 1.183 19.235 -0.773 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.626 20.723 0.335 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.019 21.226 0.823 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.305 20.346 3.505 1.00 10.00 H new ATOM 0 HE1 HIS A 37 4.361 20.013 4.651 1.00 10.00 H new ATOM 0 HE2 HIS A 37 1.960 20.095 5.524 1.00 10.00 H new ATOM 357 N THR A 38 1.521 17.118 1.623 1.00 10.00 N ATOM 358 CA THR A 38 2.238 15.936 2.074 1.00 10.00 C ATOM 359 C THR A 38 2.396 14.927 0.931 1.00 10.00 C ATOM 360 O THR A 38 1.409 14.510 0.326 1.00 10.00 O ATOM 361 CB THR A 38 1.508 15.276 3.260 1.00 10.00 C ATOM 362 OG1 THR A 38 0.972 16.291 4.125 1.00 10.00 O ATOM 363 CG2 THR A 38 2.446 14.377 4.052 1.00 10.00 C ATOM 0 H THR A 38 0.619 17.262 2.078 1.00 10.00 H new ATOM 0 HA THR A 38 3.229 16.250 2.402 1.00 10.00 H new ATOM 0 HB THR A 38 0.699 14.663 2.862 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.659 16.571 4.765 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.903 13.926 4.882 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.833 13.592 3.402 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.275 14.968 4.440 1.00 10.00 H new ATOM 371 N PRO A 39 3.651 14.550 0.613 1.00 10.00 N ATOM 372 CA PRO A 39 3.963 13.605 -0.471 1.00 10.00 C ATOM 373 C PRO A 39 3.164 12.307 -0.405 1.00 10.00 C ATOM 374 O PRO A 39 2.980 11.724 0.670 1.00 10.00 O ATOM 375 CB PRO A 39 5.452 13.317 -0.269 1.00 10.00 C ATOM 376 CG PRO A 39 5.985 14.524 0.413 1.00 10.00 C ATOM 377 CD PRO A 39 4.874 15.030 1.287 1.00 10.00 C ATOM 0 HA PRO A 39 3.710 14.028 -1.443 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.603 12.423 0.335 1.00 10.00 H new ATOM 0 HB3 PRO A 39 5.954 13.147 -1.221 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.867 14.280 1.005 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.287 15.280 -0.312 1.00 10.00 H new ATOM 0 HD2 PRO A 39 4.952 14.638 2.301 1.00 10.00 H new ATOM 0 HD3 PRO A 39 4.888 16.117 1.364 1.00 10.00 H new ATOM 385 N LEU A 40 2.715 11.846 -1.570 1.00 10.00 N ATOM 386 CA LEU A 40 1.940 10.615 -1.664 1.00 10.00 C ATOM 387 C LEU A 40 2.815 9.413 -1.326 1.00 10.00 C ATOM 388 O LEU A 40 2.316 8.319 -1.067 1.00 10.00 O ATOM 389 CB LEU A 40 1.340 10.466 -3.064 1.00 10.00 C ATOM 390 CG LEU A 40 0.135 11.365 -3.346 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.142 11.436 -4.838 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.093 10.864 -2.602 1.00 10.00 C ATOM 0 H LEU A 40 2.876 12.310 -2.464 1.00 10.00 H new ATOM 0 HA LEU A 40 1.123 10.662 -0.944 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.115 10.680 -3.800 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.042 9.427 -3.207 1.00 10.00 H new ATOM 0 HG LEU A 40 0.368 12.369 -2.990 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.003 12.080 -5.018 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.729 11.843 -5.351 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.352 10.436 -5.217 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.939 11.517 -2.816 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.326 9.850 -2.926 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.895 10.866 -1.530 1.00 10.00 H new ATOM 404 N SER A 41 4.124 9.630 -1.333 1.00 10.00 N ATOM 405 CA SER A 41 5.078 8.592 -0.996 1.00 10.00 C ATOM 406 C SER A 41 4.853 8.136 0.443 1.00 10.00 C ATOM 407 O SER A 41 4.906 6.944 0.748 1.00 10.00 O ATOM 408 CB SER A 41 6.491 9.137 -1.175 1.00 10.00 C ATOM 409 OG SER A 41 6.460 10.348 -1.920 1.00 10.00 O ATOM 0 H SER A 41 4.548 10.526 -1.572 1.00 10.00 H new ATOM 0 HA SER A 41 4.944 7.733 -1.653 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.947 9.313 -0.201 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.110 8.401 -1.689 1.00 10.00 H new ATOM 0 HG SER A 41 7.219 10.371 -2.539 1.00 10.00 H new ATOM 415 N LYS A 42 4.575 9.102 1.318 1.00 10.00 N ATOM 416 CA LYS A 42 4.312 8.817 2.723 1.00 10.00 C ATOM 417 C LYS A 42 3.000 8.058 2.845 1.00 10.00 C ATOM 418 O LYS A 42 2.853 7.173 3.686 1.00 10.00 O ATOM 419 CB LYS A 42 4.230 10.118 3.530 1.00 10.00 C ATOM 420 CG LYS A 42 5.403 10.335 4.473 1.00 10.00 C ATOM 421 CD LYS A 42 5.103 11.420 5.500 1.00 10.00 C ATOM 422 CE LYS A 42 6.309 11.686 6.396 1.00 10.00 C ATOM 423 NZ LYS A 42 5.940 12.415 7.639 1.00 10.00 N ATOM 0 H LYS A 42 4.527 10.091 1.075 1.00 10.00 H new ATOM 0 HA LYS A 42 5.128 8.213 3.119 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.172 10.959 2.839 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.307 10.117 4.109 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.636 9.402 4.986 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.287 10.612 3.898 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.818 12.339 4.988 1.00 10.00 H new ATOM 0 HD3 LYS A 42 4.252 11.119 6.112 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.779 10.738 6.659 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.048 12.266 5.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.330 13.378 7.605 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.904 12.464 7.718 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.327 11.913 8.464 1.00 10.00 H new ATOM 437 N LEU A 43 2.058 8.412 1.976 1.00 10.00 N ATOM 438 CA LEU A 43 0.742 7.791 1.953 1.00 10.00 C ATOM 439 C LEU A 43 0.848 6.319 1.570 1.00 10.00 C ATOM 440 O LEU A 43 0.235 5.455 2.202 1.00 10.00 O ATOM 441 CB LEU A 43 -0.169 8.533 0.973 1.00 10.00 C ATOM 442 CG LEU A 43 -1.660 8.217 1.096 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.487 9.469 0.857 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.056 7.126 0.113 1.00 10.00 C ATOM 0 H LEU A 43 2.187 9.137 1.270 1.00 10.00 H new ATOM 0 HA LEU A 43 0.310 7.852 2.952 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.029 9.605 1.114 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.152 8.300 -0.042 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.855 7.859 2.107 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.546 9.228 0.948 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.222 10.226 1.595 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.287 9.852 -0.144 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.120 6.914 0.214 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.848 7.459 -0.904 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.484 6.222 0.323 1.00 10.00 H new ATOM 456 N MET A 44 1.639 6.039 0.542 1.00 10.00 N ATOM 457 CA MET A 44 1.831 4.672 0.074 1.00 10.00 C ATOM 458 C MET A 44 2.451 3.811 1.167 1.00 10.00 C ATOM 459 O MET A 44 2.013 2.686 1.409 1.00 10.00 O ATOM 460 CB MET A 44 2.714 4.648 -1.177 1.00 10.00 C ATOM 461 CG MET A 44 2.033 5.207 -2.417 1.00 10.00 C ATOM 462 SD MET A 44 2.935 4.843 -3.937 1.00 10.00 S ATOM 463 CE MET A 44 4.378 5.887 -3.742 1.00 10.00 C ATOM 0 H MET A 44 2.159 6.741 0.016 1.00 10.00 H new ATOM 0 HA MET A 44 0.853 4.262 -0.180 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.621 5.221 -0.982 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.022 3.621 -1.374 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.027 4.795 -2.490 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.928 6.287 -2.312 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.014 5.797 -4.623 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.064 6.924 -3.626 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.935 5.576 -2.858 1.00 10.00 H new ATOM 473 N LYS A 45 3.452 4.357 1.845 1.00 10.00 N ATOM 474 CA LYS A 45 4.131 3.638 2.915 1.00 10.00 C ATOM 475 C LYS A 45 3.204 3.423 4.105 1.00 10.00 C ATOM 476 O LYS A 45 3.181 2.339 4.690 1.00 10.00 O ATOM 477 CB LYS A 45 5.383 4.393 3.357 1.00 10.00 C ATOM 478 CG LYS A 45 6.404 4.569 2.249 1.00 10.00 C ATOM 479 CD LYS A 45 7.673 5.220 2.763 1.00 10.00 C ATOM 480 CE LYS A 45 8.664 5.462 1.640 1.00 10.00 C ATOM 481 NZ LYS A 45 10.019 5.782 2.155 1.00 10.00 N ATOM 0 H LYS A 45 3.812 5.296 1.673 1.00 10.00 H new ATOM 0 HA LYS A 45 4.425 2.662 2.528 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.093 5.374 3.732 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.846 3.859 4.186 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.642 3.598 1.814 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.977 5.179 1.453 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.429 6.167 3.245 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.129 4.584 3.522 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.717 4.577 1.006 1.00 10.00 H new ATOM 0 HE3 LYS A 45 8.311 6.282 1.015 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.666 5.940 1.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.974 6.641 2.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.368 4.989 2.731 1.00 10.00 H new ATOM 495 N ALA A 46 2.432 4.449 4.449 1.00 10.00 N ATOM 496 CA ALA A 46 1.503 4.366 5.570 1.00 10.00 C ATOM 497 C ALA A 46 0.518 3.218 5.384 1.00 10.00 C ATOM 498 O ALA A 46 0.348 2.385 6.278 1.00 10.00 O ATOM 499 CB ALA A 46 0.759 5.678 5.743 1.00 10.00 C ATOM 0 H ALA A 46 2.432 5.348 3.967 1.00 10.00 H new ATOM 0 HA ALA A 46 2.083 4.171 6.472 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.070 5.598 6.584 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.473 6.479 5.934 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.199 5.901 4.835 1.00 10.00 H new ATOM 505 N TYR A 47 -0.117 3.163 4.218 1.00 10.00 N ATOM 506 CA TYR A 47 -1.077 2.104 3.925 1.00 10.00 C ATOM 507 C TYR A 47 -0.374 0.750 3.875 1.00 10.00 C ATOM 508 O TYR A 47 -0.928 -0.269 4.296 1.00 10.00 O ATOM 509 CB TYR A 47 -1.795 2.376 2.600 1.00 10.00 C ATOM 510 CG TYR A 47 -2.756 1.276 2.189 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.394 0.323 1.242 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.021 1.182 2.760 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.265 -0.685 0.874 1.00 10.00 C ATOM 514 CE2 TYR A 47 -4.897 0.176 2.394 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.512 -0.755 1.455 1.00 10.00 C ATOM 516 OH TYR A 47 -5.378 -1.764 1.096 1.00 10.00 O ATOM 0 H TYR A 47 0.015 3.836 3.463 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.820 2.085 4.722 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.344 3.314 2.681 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.051 2.508 1.814 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.416 0.372 0.787 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.324 1.906 3.501 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.969 -1.414 0.134 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.878 0.121 2.842 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.214 -1.671 1.598 1.00 10.00 H new ATOM 526 N CYS A 48 0.849 0.752 3.368 1.00 10.00 N ATOM 527 CA CYS A 48 1.642 -0.462 3.265 1.00 10.00 C ATOM 528 C CYS A 48 1.903 -1.054 4.648 1.00 10.00 C ATOM 529 O CYS A 48 1.781 -2.263 4.856 1.00 10.00 O ATOM 530 CB CYS A 48 2.966 -0.164 2.566 1.00 10.00 C ATOM 531 SG CYS A 48 3.528 -1.484 1.477 1.00 10.00 S ATOM 0 H CYS A 48 1.317 1.589 3.019 1.00 10.00 H new ATOM 0 HA CYS A 48 1.084 -1.190 2.677 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.861 0.753 1.986 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.730 0.022 3.320 1.00 10.00 H new ATOM 0 HG CYS A 48 4.110 -2.409 2.181 1.00 10.00 H new ATOM 537 N GLU A 49 2.250 -0.187 5.592 1.00 10.00 N ATOM 538 CA GLU A 49 2.524 -0.604 6.962 1.00 10.00 C ATOM 539 C GLU A 49 1.231 -0.993 7.672 1.00 10.00 C ATOM 540 O GLU A 49 1.236 -1.806 8.598 1.00 10.00 O ATOM 541 CB GLU A 49 3.220 0.527 7.724 1.00 10.00 C ATOM 542 CG GLU A 49 4.614 0.845 7.205 1.00 10.00 C ATOM 543 CD GLU A 49 5.667 -0.089 7.763 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.262 0.243 8.809 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.902 -1.159 7.163 1.00 10.00 O ATOM 0 H GLU A 49 2.349 0.816 5.432 1.00 10.00 H new ATOM 0 HA GLU A 49 3.180 -1.474 6.935 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.606 1.425 7.664 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.287 0.256 8.778 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.616 0.781 6.117 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.869 1.872 7.465 1.00 10.00 H new ATOM 552 N ARG A 50 0.127 -0.407 7.223 1.00 10.00 N ATOM 553 CA ARG A 50 -1.188 -0.677 7.790 1.00 10.00 C ATOM 554 C ARG A 50 -1.583 -2.130 7.547 1.00 10.00 C ATOM 555 O ARG A 50 -2.095 -2.805 8.439 1.00 10.00 O ATOM 556 CB ARG A 50 -2.223 0.257 7.152 1.00 10.00 C ATOM 557 CG ARG A 50 -3.534 0.384 7.921 1.00 10.00 C ATOM 558 CD ARG A 50 -3.425 1.379 9.064 1.00 10.00 C ATOM 559 NE ARG A 50 -2.898 0.766 10.277 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.627 0.029 11.112 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.911 -0.206 10.860 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.068 -0.483 12.200 1.00 10.00 N ATOM 0 H ARG A 50 0.119 0.267 6.457 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.153 -0.501 8.865 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.782 1.248 7.049 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.442 -0.100 6.146 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.325 0.698 7.240 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.820 -0.591 8.315 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.779 2.204 8.765 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.408 1.803 9.270 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.913 0.910 10.499 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.345 0.180 10.021 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.462 -0.772 11.505 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.082 -0.312 12.395 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.624 -1.048 12.842 1.00 10.00 H new ATOM 576 N GLN A 51 -1.316 -2.607 6.337 1.00 10.00 N ATOM 577 CA GLN A 51 -1.649 -3.978 5.958 1.00 10.00 C ATOM 578 C GLN A 51 -0.484 -4.926 6.233 1.00 10.00 C ATOM 579 O GLN A 51 -0.655 -6.147 6.249 1.00 10.00 O ATOM 580 CB GLN A 51 -2.030 -4.032 4.475 1.00 10.00 C ATOM 581 CG GLN A 51 -3.072 -2.997 4.081 1.00 10.00 C ATOM 582 CD GLN A 51 -4.462 -3.342 4.580 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.800 -3.096 5.735 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.281 -3.903 3.705 1.00 10.00 N ATOM 0 H GLN A 51 -0.869 -2.064 5.598 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.497 -4.301 6.562 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.134 -3.883 3.872 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.410 -5.026 4.241 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.780 -2.025 4.478 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.093 -2.905 2.995 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -4.961 -4.091 2.755 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.232 -4.148 3.981 1.00 10.00 H new ATOM 593 N GLY A 52 0.699 -4.358 6.439 1.00 10.00 N ATOM 594 CA GLY A 52 1.876 -5.161 6.710 1.00 10.00 C ATOM 595 C GLY A 52 2.390 -5.860 5.466 1.00 10.00 C ATOM 596 O GLY A 52 2.635 -7.068 5.478 1.00 10.00 O ATOM 0 H GLY A 52 0.864 -3.352 6.423 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.662 -4.525 7.119 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.639 -5.904 7.471 1.00 10.00 H new ATOM 600 N LEU A 53 2.551 -5.100 4.392 1.00 10.00 N ATOM 601 CA LEU A 53 3.026 -5.647 3.129 1.00 10.00 C ATOM 602 C LEU A 53 4.183 -4.817 2.586 1.00 10.00 C ATOM 603 O LEU A 53 4.494 -3.749 3.116 1.00 10.00 O ATOM 604 CB LEU A 53 1.890 -5.670 2.100 1.00 10.00 C ATOM 605 CG LEU A 53 0.606 -6.372 2.548 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.522 -6.088 1.567 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.833 -7.869 2.678 1.00 10.00 C ATOM 0 H LEU A 53 2.359 -4.099 4.370 1.00 10.00 H new ATOM 0 HA LEU A 53 3.372 -6.665 3.309 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.646 -4.642 1.832 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.253 -6.158 1.195 1.00 10.00 H new ATOM 0 HG LEU A 53 0.322 -5.982 3.526 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.429 -6.594 1.899 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.702 -5.014 1.521 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.244 -6.452 0.578 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.091 -8.351 2.997 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.140 -8.276 1.714 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.613 -8.056 3.416 1.00 10.00 H new ATOM 619 N SER A 54 4.820 -5.316 1.539 1.00 10.00 N ATOM 620 CA SER A 54 5.921 -4.609 0.907 1.00 10.00 C ATOM 621 C SER A 54 5.373 -3.641 -0.135 1.00 10.00 C ATOM 622 O SER A 54 4.389 -3.942 -0.812 1.00 10.00 O ATOM 623 CB SER A 54 6.888 -5.601 0.252 1.00 10.00 C ATOM 624 OG SER A 54 7.939 -4.924 -0.416 1.00 10.00 O ATOM 0 H SER A 54 4.592 -6.212 1.108 1.00 10.00 H new ATOM 0 HA SER A 54 6.467 -4.049 1.666 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.303 -6.264 1.011 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.346 -6.227 -0.457 1.00 10.00 H new ATOM 0 HG SER A 54 8.543 -5.579 -0.824 1.00 10.00 H new ATOM 630 N MET A 55 6.014 -2.485 -0.268 1.00 10.00 N ATOM 631 CA MET A 55 5.576 -1.474 -1.225 1.00 10.00 C ATOM 632 C MET A 55 5.815 -1.944 -2.652 1.00 10.00 C ATOM 633 O MET A 55 5.334 -1.341 -3.611 1.00 10.00 O ATOM 634 CB MET A 55 6.301 -0.151 -0.983 1.00 10.00 C ATOM 635 CG MET A 55 5.362 1.010 -0.693 1.00 10.00 C ATOM 636 SD MET A 55 6.166 2.613 -0.867 1.00 10.00 S ATOM 637 CE MET A 55 6.292 2.734 -2.650 1.00 10.00 C ATOM 0 H MET A 55 6.838 -2.224 0.274 1.00 10.00 H new ATOM 0 HA MET A 55 4.507 -1.318 -1.083 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.988 -0.270 -0.146 1.00 10.00 H new ATOM 0 HB3 MET A 55 6.904 0.089 -1.859 1.00 10.00 H new ATOM 0 HG2 MET A 55 4.509 0.960 -1.370 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.971 0.912 0.320 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.482 3.770 -2.932 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.111 2.106 -3.000 1.00 10.00 H new ATOM 0 HE3 MET A 55 5.359 2.400 -3.104 1.00 10.00 H new ATOM 647 N ARG A 56 6.563 -3.029 -2.785 1.00 10.00 N ATOM 648 CA ARG A 56 6.857 -3.595 -4.087 1.00 10.00 C ATOM 649 C ARG A 56 5.815 -4.650 -4.454 1.00 10.00 C ATOM 650 O ARG A 56 5.811 -5.172 -5.567 1.00 10.00 O ATOM 651 CB ARG A 56 8.261 -4.199 -4.096 1.00 10.00 C ATOM 652 CG ARG A 56 8.800 -4.455 -5.493 1.00 10.00 C ATOM 653 CD ARG A 56 10.274 -4.803 -5.467 1.00 10.00 C ATOM 654 NE ARG A 56 10.750 -5.228 -6.781 1.00 10.00 N ATOM 655 CZ ARG A 56 11.514 -4.485 -7.579 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.913 -3.272 -7.201 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.879 -4.955 -8.761 1.00 10.00 N ATOM 0 H ARG A 56 6.978 -3.535 -2.002 1.00 10.00 H new ATOM 0 HA ARG A 56 6.819 -2.800 -4.832 1.00 10.00 H new ATOM 0 HB2 ARG A 56 8.940 -3.528 -3.570 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.248 -5.138 -3.542 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.242 -5.269 -5.956 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.645 -3.571 -6.111 1.00 10.00 H new ATOM 0 HD2 ARG A 56 10.847 -3.937 -5.134 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.448 -5.598 -4.742 1.00 10.00 H new ATOM 0 HE ARG A 56 10.479 -6.155 -7.109 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.633 -2.903 -6.292 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.498 -2.712 -7.821 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.575 -5.883 -9.057 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.464 -4.390 -9.376 1.00 10.00 H new ATOM 671 N GLN A 57 4.917 -4.935 -3.518 1.00 10.00 N ATOM 672 CA GLN A 57 3.867 -5.922 -3.737 1.00 10.00 C ATOM 673 C GLN A 57 2.583 -5.259 -4.226 1.00 10.00 C ATOM 674 O GLN A 57 1.906 -5.773 -5.112 1.00 10.00 O ATOM 675 CB GLN A 57 3.587 -6.701 -2.444 1.00 10.00 C ATOM 676 CG GLN A 57 2.398 -7.644 -2.546 1.00 10.00 C ATOM 677 CD GLN A 57 1.880 -8.091 -1.193 1.00 10.00 C ATOM 678 OE1 GLN A 57 2.639 -8.241 -0.239 1.00 10.00 O ATOM 679 NE2 GLN A 57 0.577 -8.300 -1.102 1.00 10.00 N ATOM 0 H GLN A 57 4.895 -4.495 -2.598 1.00 10.00 H new ATOM 0 HA GLN A 57 4.214 -6.613 -4.505 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.474 -7.276 -2.177 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.410 -5.993 -1.634 1.00 10.00 H new ATOM 0 HG2 GLN A 57 1.594 -7.149 -3.091 1.00 10.00 H new ATOM 0 HG3 GLN A 57 2.685 -8.521 -3.127 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -0.020 -8.164 -1.918 1.00 10.00 H new ATOM 0 HE22 GLN A 57 0.169 -8.597 -0.216 1.00 10.00 H new ATOM 688 N ILE A 58 2.252 -4.114 -3.652 1.00 10.00 N ATOM 689 CA ILE A 58 1.036 -3.413 -4.030 1.00 10.00 C ATOM 690 C ILE A 58 1.314 -2.294 -5.029 1.00 10.00 C ATOM 691 O ILE A 58 2.447 -1.829 -5.169 1.00 10.00 O ATOM 692 CB ILE A 58 0.306 -2.840 -2.796 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.265 -2.020 -1.928 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.319 -3.969 -1.986 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.612 -1.423 -0.696 1.00 10.00 C ATOM 0 H ILE A 58 2.803 -3.653 -2.928 1.00 10.00 H new ATOM 0 HA ILE A 58 0.390 -4.149 -4.508 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.487 -2.176 -3.140 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.094 -2.656 -1.617 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.689 -1.216 -2.530 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.831 -3.554 -1.118 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -1.035 -4.509 -2.606 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.461 -4.654 -1.654 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.352 -0.856 -0.130 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.199 -0.760 -0.999 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.213 -2.223 -0.072 1.00 10.00 H new ATOM 707 N ARG A 59 0.275 -1.885 -5.740 1.00 10.00 N ATOM 708 CA ARG A 59 0.378 -0.821 -6.729 1.00 10.00 C ATOM 709 C ARG A 59 -0.662 0.253 -6.442 1.00 10.00 C ATOM 710 O ARG A 59 -1.772 -0.057 -6.020 1.00 10.00 O ATOM 711 CB ARG A 59 0.167 -1.378 -8.141 1.00 10.00 C ATOM 712 CG ARG A 59 1.156 -2.461 -8.539 1.00 10.00 C ATOM 713 CD ARG A 59 2.566 -1.904 -8.657 1.00 10.00 C ATOM 714 NE ARG A 59 3.549 -2.956 -8.907 1.00 10.00 N ATOM 715 CZ ARG A 59 4.476 -3.332 -8.028 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.501 -2.810 -6.807 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.357 -4.260 -8.364 1.00 10.00 N ATOM 0 H ARG A 59 -0.661 -2.279 -5.649 1.00 10.00 H new ATOM 0 HA ARG A 59 1.376 -0.386 -6.669 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.843 -1.780 -8.213 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.236 -0.559 -8.856 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.139 -3.261 -7.799 1.00 10.00 H new ATOM 0 HG3 ARG A 59 0.855 -2.900 -9.490 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.601 -1.174 -9.466 1.00 10.00 H new ATOM 0 HD3 ARG A 59 2.825 -1.375 -7.740 1.00 10.00 H new ATOM 0 HE ARG A 59 3.524 -3.431 -9.809 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.806 -2.115 -6.535 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.215 -3.105 -6.141 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.324 -4.683 -9.292 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.070 -4.553 -7.695 1.00 10.00 H new ATOM 731 N PHE A 60 -0.308 1.507 -6.677 1.00 10.00 N ATOM 732 CA PHE A 60 -1.224 2.612 -6.429 1.00 10.00 C ATOM 733 C PHE A 60 -1.589 3.316 -7.730 1.00 10.00 C ATOM 734 O PHE A 60 -0.715 3.670 -8.522 1.00 10.00 O ATOM 735 CB PHE A 60 -0.601 3.609 -5.449 1.00 10.00 C ATOM 736 CG PHE A 60 -0.652 3.165 -4.011 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.193 2.169 -3.544 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.545 3.748 -3.125 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.151 1.767 -2.222 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.592 3.348 -1.803 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.743 2.358 -1.351 1.00 10.00 C ATOM 0 H PHE A 60 0.604 1.786 -7.038 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.135 2.206 -5.990 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.438 3.778 -5.730 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.116 4.565 -5.542 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.892 1.702 -4.222 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.212 4.524 -3.472 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.816 0.992 -1.871 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.293 3.810 -1.124 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.778 2.046 -0.318 1.00 10.00 H new ATOM 751 N ARG A 61 -2.883 3.502 -7.952 1.00 10.00 N ATOM 752 CA ARG A 61 -3.365 4.172 -9.149 1.00 10.00 C ATOM 753 C ARG A 61 -4.284 5.334 -8.785 1.00 10.00 C ATOM 754 O ARG A 61 -5.104 5.230 -7.870 1.00 10.00 O ATOM 755 CB ARG A 61 -4.115 3.194 -10.061 1.00 10.00 C ATOM 756 CG ARG A 61 -3.205 2.229 -10.811 1.00 10.00 C ATOM 757 CD ARG A 61 -3.940 1.549 -11.958 1.00 10.00 C ATOM 758 NE ARG A 61 -3.084 0.602 -12.678 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.389 0.908 -13.780 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.467 2.120 -14.314 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.627 -0.013 -14.355 1.00 10.00 N ATOM 0 H ARG A 61 -3.619 3.197 -7.315 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.496 4.557 -9.683 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.821 2.620 -9.460 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.700 3.762 -10.784 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.341 2.769 -11.200 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.826 1.474 -10.122 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.812 1.024 -11.568 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.307 2.305 -12.652 1.00 10.00 H new ATOM 0 HE ARG A 61 -3.014 -0.349 -12.317 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.061 2.829 -13.884 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -1.933 2.343 -15.154 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.572 -0.951 -13.957 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.096 0.216 -15.195 1.00 10.00 H new ATOM 775 N PHE A 62 -4.126 6.435 -9.504 1.00 10.00 N ATOM 776 CA PHE A 62 -4.935 7.625 -9.300 1.00 10.00 C ATOM 777 C PHE A 62 -5.588 8.012 -10.618 1.00 10.00 C ATOM 778 O PHE A 62 -4.898 8.394 -11.565 1.00 10.00 O ATOM 779 CB PHE A 62 -4.074 8.781 -8.770 1.00 10.00 C ATOM 780 CG PHE A 62 -4.707 10.141 -8.925 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.768 10.524 -8.121 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.242 11.028 -9.885 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.348 11.772 -8.265 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.817 12.275 -10.033 1.00 10.00 C ATOM 785 CZ PHE A 62 -5.874 12.646 -9.225 1.00 10.00 C ATOM 0 H PHE A 62 -3.432 6.528 -10.246 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.706 7.414 -8.559 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.863 8.608 -7.715 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.117 8.776 -9.292 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.146 9.842 -7.374 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.421 10.740 -10.524 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.170 12.063 -7.628 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.441 12.959 -10.779 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.330 13.618 -9.343 1.00 10.00 H new ATOM 795 N ASP A 63 -6.910 7.870 -10.685 1.00 10.00 N ATOM 796 CA ASP A 63 -7.669 8.196 -11.892 1.00 10.00 C ATOM 797 C ASP A 63 -7.145 7.394 -13.085 1.00 10.00 C ATOM 798 O ASP A 63 -7.188 7.840 -14.234 1.00 10.00 O ATOM 799 CB ASP A 63 -7.605 9.701 -12.179 1.00 10.00 C ATOM 800 CG ASP A 63 -8.727 10.173 -13.081 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.879 9.726 -12.892 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.468 11.005 -13.972 1.00 10.00 O ATOM 0 H ASP A 63 -7.482 7.529 -9.912 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.712 7.925 -11.728 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.647 10.248 -11.237 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.647 9.938 -12.643 1.00 10.00 H new ATOM 807 N GLY A 64 -6.645 6.198 -12.793 1.00 10.00 N ATOM 808 CA GLY A 64 -6.109 5.338 -13.827 1.00 10.00 C ATOM 809 C GLY A 64 -4.591 5.359 -13.874 1.00 10.00 C ATOM 810 O GLY A 64 -3.952 4.307 -13.890 1.00 10.00 O ATOM 0 H GLY A 64 -6.602 5.809 -11.851 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.450 4.317 -13.658 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.503 5.649 -14.794 1.00 10.00 H new ATOM 814 N GLN A 65 -4.018 6.555 -13.864 1.00 10.00 N ATOM 815 CA GLN A 65 -2.568 6.727 -13.934 1.00 10.00 C ATOM 816 C GLN A 65 -1.878 6.275 -12.645 1.00 10.00 C ATOM 817 O GLN A 65 -2.424 6.421 -11.554 1.00 10.00 O ATOM 818 CB GLN A 65 -2.235 8.192 -14.219 1.00 10.00 C ATOM 819 CG GLN A 65 -2.578 8.626 -15.635 1.00 10.00 C ATOM 820 CD GLN A 65 -1.694 7.965 -16.672 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.007 6.889 -17.182 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.581 8.605 -16.993 1.00 10.00 N ATOM 0 H GLN A 65 -4.539 7.430 -13.808 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.196 6.100 -14.744 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.775 8.823 -13.513 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.172 8.355 -14.045 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.620 8.385 -15.843 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.479 9.709 -15.714 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.358 9.495 -16.547 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.054 8.208 -17.686 1.00 10.00 H new ATOM 831 N PRO A 66 -0.668 5.705 -12.760 1.00 10.00 N ATOM 832 CA PRO A 66 0.103 5.243 -11.601 1.00 10.00 C ATOM 833 C PRO A 66 0.698 6.397 -10.799 1.00 10.00 C ATOM 834 O PRO A 66 1.063 7.434 -11.358 1.00 10.00 O ATOM 835 CB PRO A 66 1.218 4.407 -12.234 1.00 10.00 C ATOM 836 CG PRO A 66 1.401 4.988 -13.593 1.00 10.00 C ATOM 837 CD PRO A 66 0.041 5.455 -14.032 1.00 10.00 C ATOM 0 HA PRO A 66 -0.517 4.694 -10.892 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.137 4.466 -11.651 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.942 3.354 -12.287 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.109 5.816 -13.571 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.800 4.246 -14.284 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.104 6.358 -14.640 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.467 4.701 -14.633 1.00 10.00 H new ATOM 845 N ILE A 67 0.789 6.211 -9.491 1.00 10.00 N ATOM 846 CA ILE A 67 1.346 7.229 -8.610 1.00 10.00 C ATOM 847 C ILE A 67 2.846 7.015 -8.434 1.00 10.00 C ATOM 848 O ILE A 67 3.296 5.890 -8.209 1.00 10.00 O ATOM 849 CB ILE A 67 0.654 7.209 -7.227 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.843 7.494 -7.383 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.295 8.223 -6.288 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.610 7.469 -6.077 1.00 10.00 C ATOM 0 H ILE A 67 0.484 5.363 -9.014 1.00 10.00 H new ATOM 0 HA ILE A 67 1.171 8.201 -9.072 1.00 10.00 H new ATOM 0 HB ILE A 67 0.779 6.218 -6.792 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -0.971 8.471 -7.850 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.275 6.758 -8.061 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.793 8.192 -5.321 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.350 7.981 -6.157 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.202 9.222 -6.713 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.662 7.679 -6.269 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.515 6.485 -5.618 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.206 8.225 -5.403 1.00 10.00 H new ATOM 864 N ASN A 68 3.615 8.090 -8.558 1.00 10.00 N ATOM 865 CA ASN A 68 5.063 8.019 -8.412 1.00 10.00 C ATOM 866 C ASN A 68 5.482 8.286 -6.974 1.00 10.00 C ATOM 867 O ASN A 68 4.702 8.798 -6.172 1.00 10.00 O ATOM 868 CB ASN A 68 5.746 9.036 -9.332 1.00 10.00 C ATOM 869 CG ASN A 68 5.567 8.712 -10.800 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.346 7.957 -11.381 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.545 9.289 -11.411 1.00 10.00 N ATOM 0 H ASN A 68 3.258 9.024 -8.760 1.00 10.00 H new ATOM 0 HA ASN A 68 5.372 7.011 -8.689 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.342 10.029 -9.132 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.810 9.072 -9.100 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.379 9.114 -12.402 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.923 9.908 -10.891 1.00 10.00 H new ATOM 878 N GLU A 69 6.732 7.960 -6.661 1.00 10.00 N ATOM 879 CA GLU A 69 7.264 8.166 -5.319 1.00 10.00 C ATOM 880 C GLU A 69 7.609 9.637 -5.090 1.00 10.00 C ATOM 881 O GLU A 69 8.093 10.018 -4.024 1.00 10.00 O ATOM 882 CB GLU A 69 8.503 7.302 -5.096 1.00 10.00 C ATOM 883 CG GLU A 69 8.257 5.815 -5.303 1.00 10.00 C ATOM 884 CD GLU A 69 9.511 4.986 -5.118 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.653 4.341 -4.054 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.364 4.981 -6.031 1.00 10.00 O ATOM 0 H GLU A 69 7.396 7.552 -7.319 1.00 10.00 H new ATOM 0 HA GLU A 69 6.495 7.874 -4.604 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.290 7.629 -5.775 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.870 7.463 -4.082 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.495 5.476 -4.602 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.863 5.652 -6.306 1.00 10.00 H new ATOM 893 N THR A 70 7.371 10.451 -6.104 1.00 10.00 N ATOM 894 CA THR A 70 7.632 11.876 -6.027 1.00 10.00 C ATOM 895 C THR A 70 6.362 12.671 -6.317 1.00 10.00 C ATOM 896 O THR A 70 6.402 13.889 -6.498 1.00 10.00 O ATOM 897 CB THR A 70 8.729 12.282 -7.027 1.00 10.00 C ATOM 898 OG1 THR A 70 8.687 11.422 -8.176 1.00 10.00 O ATOM 899 CG2 THR A 70 10.101 12.214 -6.379 1.00 10.00 C ATOM 0 H THR A 70 6.993 10.143 -7.000 1.00 10.00 H new ATOM 0 HA THR A 70 7.971 12.100 -5.015 1.00 10.00 H new ATOM 0 HB THR A 70 8.546 13.310 -7.340 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.387 11.687 -8.809 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.861 12.505 -7.104 1.00 10.00 H new ATOM 0 HG22 THR A 70 10.135 12.892 -5.526 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.294 11.196 -6.041 1.00 10.00 H new ATOM 907 N ASP A 71 5.231 11.975 -6.347 1.00 10.00 N ATOM 908 CA ASP A 71 3.950 12.611 -6.629 1.00 10.00 C ATOM 909 C ASP A 71 3.348 13.204 -5.363 1.00 10.00 C ATOM 910 O ASP A 71 3.562 12.698 -4.258 1.00 10.00 O ATOM 911 CB ASP A 71 2.972 11.616 -7.262 1.00 10.00 C ATOM 912 CG ASP A 71 2.971 11.686 -8.779 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.049 12.805 -9.326 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.886 10.616 -9.431 1.00 10.00 O ATOM 0 H ASP A 71 5.175 10.970 -6.179 1.00 10.00 H new ATOM 0 HA ASP A 71 4.130 13.418 -7.339 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.233 10.605 -6.948 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.966 11.815 -6.892 1.00 10.00 H new ATOM 919 N THR A 72 2.606 14.284 -5.533 1.00 10.00 N ATOM 920 CA THR A 72 1.966 14.965 -4.419 1.00 10.00 C ATOM 921 C THR A 72 0.511 15.285 -4.759 1.00 10.00 C ATOM 922 O THR A 72 0.159 15.367 -5.938 1.00 10.00 O ATOM 923 CB THR A 72 2.712 16.271 -4.073 1.00 10.00 C ATOM 924 OG1 THR A 72 3.534 16.670 -5.175 1.00 10.00 O ATOM 925 CG2 THR A 72 3.579 16.100 -2.838 1.00 10.00 C ATOM 0 H THR A 72 2.430 14.713 -6.442 1.00 10.00 H new ATOM 0 HA THR A 72 1.998 14.301 -3.555 1.00 10.00 H new ATOM 0 HB THR A 72 1.965 17.038 -3.869 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.003 17.500 -4.949 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.091 17.037 -2.620 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.953 15.823 -1.990 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.316 15.317 -3.016 1.00 10.00 H new ATOM 933 N PRO A 73 -0.356 15.467 -3.742 1.00 10.00 N ATOM 934 CA PRO A 73 -1.776 15.781 -3.963 1.00 10.00 C ATOM 935 C PRO A 73 -1.965 17.013 -4.844 1.00 10.00 C ATOM 936 O PRO A 73 -2.835 17.045 -5.711 1.00 10.00 O ATOM 937 CB PRO A 73 -2.308 16.047 -2.551 1.00 10.00 C ATOM 938 CG PRO A 73 -1.380 15.322 -1.644 1.00 10.00 C ATOM 939 CD PRO A 73 -0.032 15.365 -2.305 1.00 10.00 C ATOM 0 HA PRO A 73 -2.295 14.975 -4.482 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.322 17.114 -2.330 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.330 15.685 -2.440 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.347 15.794 -0.662 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.707 14.293 -1.493 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.555 16.218 -1.964 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.551 14.470 -2.087 1.00 10.00 H new ATOM 947 N ALA A 74 -1.130 18.021 -4.621 1.00 10.00 N ATOM 948 CA ALA A 74 -1.192 19.256 -5.389 1.00 10.00 C ATOM 949 C ALA A 74 -0.602 19.067 -6.785 1.00 10.00 C ATOM 950 O ALA A 74 -1.017 19.721 -7.737 1.00 10.00 O ATOM 951 CB ALA A 74 -0.464 20.370 -4.650 1.00 10.00 C ATOM 0 H ALA A 74 -0.399 18.005 -3.910 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.240 19.534 -5.503 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.517 21.289 -5.234 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.933 20.529 -3.679 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.580 20.090 -4.507 1.00 10.00 H new ATOM 957 N GLN A 75 0.355 18.153 -6.896 1.00 10.00 N ATOM 958 CA GLN A 75 1.015 17.871 -8.164 1.00 10.00 C ATOM 959 C GLN A 75 0.063 17.158 -9.119 1.00 10.00 C ATOM 960 O GLN A 75 0.084 17.386 -10.330 1.00 10.00 O ATOM 961 CB GLN A 75 2.257 17.010 -7.919 1.00 10.00 C ATOM 962 CG GLN A 75 3.093 16.747 -9.161 1.00 10.00 C ATOM 963 CD GLN A 75 3.773 17.994 -9.695 1.00 10.00 C ATOM 964 OE1 GLN A 75 4.091 18.920 -8.946 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.008 18.024 -10.996 1.00 10.00 N ATOM 0 H GLN A 75 0.693 17.590 -6.115 1.00 10.00 H new ATOM 0 HA GLN A 75 1.315 18.814 -8.620 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.882 17.499 -7.172 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.945 16.055 -7.497 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.850 15.998 -8.930 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.455 16.327 -9.939 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.730 17.238 -11.583 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.468 18.834 -11.413 1.00 10.00 H new ATOM 974 N LEU A 76 -0.774 16.292 -8.563 1.00 10.00 N ATOM 975 CA LEU A 76 -1.735 15.545 -9.363 1.00 10.00 C ATOM 976 C LEU A 76 -3.094 16.238 -9.374 1.00 10.00 C ATOM 977 O LEU A 76 -4.056 15.715 -9.935 1.00 10.00 O ATOM 978 CB LEU A 76 -1.876 14.117 -8.830 1.00 10.00 C ATOM 979 CG LEU A 76 -0.659 13.214 -9.041 1.00 10.00 C ATOM 980 CD1 LEU A 76 -0.873 11.864 -8.375 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.376 13.034 -10.523 1.00 10.00 C ATOM 0 H LEU A 76 -0.807 16.090 -7.564 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.363 15.506 -10.387 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.090 14.165 -7.762 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.739 13.653 -9.308 1.00 10.00 H new ATOM 0 HG LEU A 76 0.205 13.693 -8.581 1.00 10.00 H new ATOM 0 HD11 LEU A 76 0.003 11.236 -8.536 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.026 12.006 -7.305 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.750 11.381 -8.806 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.493 12.389 -10.652 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.241 12.579 -11.006 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.177 14.005 -10.976 1.00 10.00 H new ATOM 993 N GLU A 77 -3.154 17.419 -8.761 1.00 10.00 N ATOM 994 CA GLU A 77 -4.383 18.210 -8.688 1.00 10.00 C ATOM 995 C GLU A 77 -5.541 17.384 -8.138 1.00 10.00 C ATOM 996 O GLU A 77 -6.609 17.297 -8.748 1.00 10.00 O ATOM 997 CB GLU A 77 -4.740 18.780 -10.064 1.00 10.00 C ATOM 998 CG GLU A 77 -3.782 19.856 -10.540 1.00 10.00 C ATOM 999 CD GLU A 77 -3.993 21.186 -9.840 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -4.353 21.197 -8.642 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -3.788 22.233 -10.486 1.00 10.00 O ATOM 0 H GLU A 77 -2.354 17.854 -8.302 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.205 19.038 -8.002 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.754 17.969 -10.792 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.748 19.193 -10.027 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.758 19.522 -10.374 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.903 19.993 -11.615 1.00 10.00 H new ATOM 1008 N MET A 78 -5.319 16.776 -6.986 1.00 10.00 N ATOM 1009 CA MET A 78 -6.337 15.953 -6.353 1.00 10.00 C ATOM 1010 C MET A 78 -7.318 16.821 -5.581 1.00 10.00 C ATOM 1011 O MET A 78 -6.975 17.921 -5.138 1.00 10.00 O ATOM 1012 CB MET A 78 -5.688 14.933 -5.414 1.00 10.00 C ATOM 1013 CG MET A 78 -4.649 14.054 -6.092 1.00 10.00 C ATOM 1014 SD MET A 78 -3.837 12.920 -4.951 1.00 10.00 S ATOM 1015 CE MET A 78 -5.194 11.823 -4.547 1.00 10.00 C ATOM 0 H MET A 78 -4.442 16.836 -6.469 1.00 10.00 H new ATOM 0 HA MET A 78 -6.881 15.419 -7.132 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.218 15.463 -4.585 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.465 14.299 -4.987 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.128 13.481 -6.886 1.00 10.00 H new ATOM 0 HG3 MET A 78 -3.897 14.687 -6.564 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.823 10.801 -4.463 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.638 12.127 -3.599 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.948 11.872 -5.333 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.534 16.328 -5.427 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.563 17.055 -4.709 1.00 10.00 C ATOM 1027 C GLU A 79 -9.911 16.328 -3.416 1.00 10.00 C ATOM 1028 O GLU A 79 -9.328 15.288 -3.102 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.809 17.226 -5.579 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.134 18.676 -5.899 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.309 19.522 -4.656 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.707 20.612 -4.583 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -12.055 19.102 -3.746 1.00 10.00 O ATOM 0 H GLU A 79 -8.833 15.423 -5.792 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.182 18.046 -4.463 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.668 16.680 -6.512 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.661 16.775 -5.071 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.336 19.097 -6.511 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.047 18.717 -6.493 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.856 16.870 -2.669 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.257 16.262 -1.409 1.00 10.00 C ATOM 1042 C ASP A 80 -12.124 15.038 -1.654 1.00 10.00 C ATOM 1043 O ASP A 80 -12.999 15.047 -2.525 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.992 17.266 -0.523 1.00 10.00 C ATOM 1045 CG ASP A 80 -11.228 17.567 0.750 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -10.659 18.675 0.858 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.185 16.697 1.645 1.00 10.00 O ATOM 0 H ASP A 80 -11.359 17.725 -2.909 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.353 15.948 -0.888 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -12.150 18.191 -1.078 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.977 16.873 -0.270 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.862 13.991 -0.876 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.578 12.721 -0.965 1.00 10.00 C ATOM 1054 C GLU A 81 -12.246 11.997 -2.264 1.00 10.00 C ATOM 1055 O GLU A 81 -13.074 11.273 -2.817 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.087 12.914 -0.807 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.486 13.315 0.604 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.979 13.272 0.817 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.638 14.314 0.644 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.504 12.193 1.165 1.00 10.00 O ATOM 0 H GLU A 81 -11.138 14.001 -0.158 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.243 12.095 -0.138 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.426 13.678 -1.506 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.597 11.988 -1.075 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.001 12.649 1.318 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.122 14.322 0.809 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.018 12.194 -2.736 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.547 11.548 -3.955 1.00 10.00 C ATOM 1069 C ASP A 82 -10.334 10.062 -3.687 1.00 10.00 C ATOM 1070 O ASP A 82 -9.935 9.679 -2.584 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.246 12.190 -4.439 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.246 12.440 -5.933 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.330 11.461 -6.705 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.165 13.619 -6.344 1.00 10.00 O ATOM 0 H ASP A 82 -10.329 12.799 -2.289 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.297 11.673 -4.736 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.093 13.134 -3.916 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.407 11.543 -4.182 1.00 10.00 H new ATOM 1079 N THR A 83 -10.597 9.229 -4.681 1.00 10.00 N ATOM 1080 CA THR A 83 -10.457 7.792 -4.511 1.00 10.00 C ATOM 1081 C THR A 83 -9.154 7.260 -5.101 1.00 10.00 C ATOM 1082 O THR A 83 -8.896 7.393 -6.299 1.00 10.00 O ATOM 1083 CB THR A 83 -11.639 7.039 -5.149 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.855 7.759 -4.911 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.761 5.630 -4.581 1.00 10.00 C ATOM 0 H THR A 83 -10.907 9.521 -5.608 1.00 10.00 H new ATOM 0 HA THR A 83 -10.445 7.615 -3.435 1.00 10.00 H new ATOM 0 HB THR A 83 -11.458 6.964 -6.221 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.605 7.278 -5.320 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.604 5.121 -5.049 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.844 5.076 -4.783 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.922 5.684 -3.504 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.333 6.671 -4.243 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.073 6.082 -4.664 1.00 10.00 C ATOM 1095 C ILE A 84 -7.233 4.565 -4.706 1.00 10.00 C ATOM 1096 O ILE A 84 -7.654 3.954 -3.721 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.916 6.456 -3.712 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.826 7.977 -3.558 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.597 5.892 -4.226 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.788 8.431 -2.554 1.00 10.00 C ATOM 0 H ILE A 84 -8.521 6.589 -3.244 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.823 6.471 -5.651 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.117 6.019 -2.734 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.596 8.418 -4.528 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.801 8.360 -3.257 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.793 6.166 -3.542 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.666 4.806 -4.289 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.387 6.300 -5.215 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.784 9.520 -2.501 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.027 8.021 -1.573 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.804 8.079 -2.864 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.913 3.965 -5.841 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.060 2.525 -6.002 1.00 10.00 C ATOM 1114 C ASP A 85 -5.747 1.794 -5.768 1.00 10.00 C ATOM 1115 O ASP A 85 -4.692 2.213 -6.248 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.588 2.187 -7.394 1.00 10.00 C ATOM 1117 CG ASP A 85 -9.092 2.337 -7.498 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.819 1.459 -6.981 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.554 3.333 -8.102 1.00 10.00 O ATOM 0 H ASP A 85 -6.551 4.449 -6.662 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.777 2.193 -5.251 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.110 2.836 -8.128 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.310 1.163 -7.645 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.825 0.700 -5.027 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.658 -0.118 -4.736 1.00 10.00 C ATOM 1126 C VAL A 86 -4.789 -1.463 -5.437 1.00 10.00 C ATOM 1127 O VAL A 86 -5.829 -2.111 -5.347 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.484 -0.352 -3.220 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.236 -1.175 -2.939 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.422 0.970 -2.480 1.00 10.00 C ATOM 0 H VAL A 86 -6.691 0.356 -4.613 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.781 0.417 -5.100 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.350 -0.910 -2.862 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.135 -1.327 -1.864 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.318 -2.142 -3.436 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.360 -0.647 -3.315 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.299 0.784 -1.413 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.577 1.553 -2.846 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.345 1.525 -2.648 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.751 -1.859 -6.148 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.744 -3.124 -6.866 1.00 10.00 C ATOM 1142 C PHE A 87 -2.645 -4.029 -6.331 1.00 10.00 C ATOM 1143 O PHE A 87 -1.815 -3.597 -5.531 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.549 -2.885 -8.366 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.757 -2.316 -9.054 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.621 -3.141 -9.754 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -5.030 -0.959 -8.999 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.733 -2.624 -10.387 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.141 -0.436 -9.630 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.994 -1.270 -10.324 1.00 10.00 C ATOM 0 H PHE A 87 -2.892 -1.318 -6.246 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.706 -3.614 -6.713 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.708 -2.206 -8.509 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.282 -3.828 -8.843 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.422 -4.201 -9.805 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.366 -0.303 -8.456 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.398 -3.278 -10.931 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.342 0.624 -9.581 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.865 -0.864 -10.817 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.640 -5.277 -6.773 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.640 -6.242 -6.336 1.00 10.00 C ATOM 1162 C GLN A 88 -0.774 -6.680 -7.513 1.00 10.00 C ATOM 1163 O GLN A 88 -1.285 -6.984 -8.592 1.00 10.00 O ATOM 1164 CB GLN A 88 -2.318 -7.457 -5.701 1.00 10.00 C ATOM 1165 CG GLN A 88 -3.064 -7.134 -4.415 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.264 -7.477 -3.174 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -1.035 -7.467 -3.187 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.959 -7.787 -2.090 1.00 10.00 N ATOM 0 H GLN A 88 -3.320 -5.648 -7.437 1.00 10.00 H new ATOM 0 HA GLN A 88 -1.002 -5.766 -5.591 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -3.016 -7.889 -6.418 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.564 -8.216 -5.493 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -3.313 -6.073 -4.400 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -4.006 -7.682 -4.398 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.979 -7.784 -2.120 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -2.475 -8.029 -1.226 1.00 10.00 H new ATOM 1177 N GLN A 89 0.533 -6.696 -7.302 1.00 10.00 N ATOM 1178 CA GLN A 89 1.473 -7.098 -8.336 1.00 10.00 C ATOM 1179 C GLN A 89 1.393 -8.599 -8.581 1.00 10.00 C ATOM 1180 O GLN A 89 1.351 -9.391 -7.637 1.00 10.00 O ATOM 1181 CB GLN A 89 2.902 -6.708 -7.937 1.00 10.00 C ATOM 1182 CG GLN A 89 3.981 -7.337 -8.808 1.00 10.00 C ATOM 1183 CD GLN A 89 3.984 -6.797 -10.224 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.776 -5.602 -10.449 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.210 -7.676 -11.190 1.00 10.00 N ATOM 0 H GLN A 89 0.969 -6.433 -6.418 1.00 10.00 H new ATOM 0 HA GLN A 89 1.208 -6.580 -9.258 1.00 10.00 H new ATOM 0 HB2 GLN A 89 2.998 -5.623 -7.984 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.071 -6.999 -6.900 1.00 10.00 H new ATOM 0 HG2 GLN A 89 4.956 -7.160 -8.355 1.00 10.00 H new ATOM 0 HG3 GLN A 89 3.834 -8.417 -8.836 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.378 -8.655 -10.959 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.216 -7.373 -12.164 1.00 10.00 H new ATOM 1194 N GLN A 90 1.364 -8.978 -9.848 1.00 10.00 N ATOM 1195 CA GLN A 90 1.306 -10.377 -10.224 1.00 10.00 C ATOM 1196 C GLN A 90 2.644 -11.046 -9.935 1.00 10.00 C ATOM 1197 O GLN A 90 3.680 -10.620 -10.444 1.00 10.00 O ATOM 1198 CB GLN A 90 0.959 -10.525 -11.712 1.00 10.00 C ATOM 1199 CG GLN A 90 -0.409 -9.966 -12.092 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.414 -8.455 -12.240 1.00 10.00 C ATOM 1201 OE1 GLN A 90 0.611 -7.843 -12.529 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.577 -7.844 -12.063 1.00 10.00 N ATOM 0 H GLN A 90 1.380 -8.331 -10.636 1.00 10.00 H new ATOM 0 HA GLN A 90 0.525 -10.861 -9.637 1.00 10.00 H new ATOM 0 HB2 GLN A 90 1.723 -10.021 -12.304 1.00 10.00 H new ATOM 0 HB3 GLN A 90 0.995 -11.581 -11.979 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.732 -10.418 -13.030 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -1.136 -10.253 -11.332 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.407 -8.387 -11.824 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.642 -6.831 -12.166 1.00 10.00 H new ATOM 1211 N THR A 91 2.625 -12.076 -9.100 1.00 10.00 N ATOM 1212 CA THR A 91 3.841 -12.792 -8.752 1.00 10.00 C ATOM 1213 C THR A 91 4.289 -13.688 -9.900 1.00 10.00 C ATOM 1214 O THR A 91 5.478 -13.988 -10.046 1.00 10.00 O ATOM 1215 CB THR A 91 3.643 -13.637 -7.484 1.00 10.00 C ATOM 1216 OG1 THR A 91 2.311 -14.163 -7.453 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.897 -12.809 -6.235 1.00 10.00 C ATOM 0 H THR A 91 1.781 -12.433 -8.652 1.00 10.00 H new ATOM 0 HA THR A 91 4.614 -12.049 -8.559 1.00 10.00 H new ATOM 0 HB THR A 91 4.359 -14.459 -7.505 1.00 10.00 H new ATOM 0 HG1 THR A 91 2.191 -14.702 -6.644 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.750 -13.430 -5.351 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.920 -12.434 -6.249 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.203 -11.969 -6.208 1.00 10.00 H new ATOM 1225 N GLY A 92 3.329 -14.105 -10.713 1.00 10.00 N ATOM 1226 CA GLY A 92 3.612 -14.956 -11.845 1.00 10.00 C ATOM 1227 C GLY A 92 2.491 -14.900 -12.856 1.00 10.00 C ATOM 1228 O GLY A 92 1.337 -14.646 -12.442 1.00 10.00 O ATOM 0 H GLY A 92 2.344 -13.863 -10.603 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.546 -14.645 -12.314 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.751 -15.983 -11.507 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.155 -4.151 5.639 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.649 -2.781 5.865 1.00 10.00 C ATOM 1235 C ASN B 357 -17.306 -2.838 6.557 1.00 10.00 C ATOM 1236 O ASN B 357 -17.209 -3.295 7.698 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.637 -1.978 6.723 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.225 -0.524 6.894 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -18.754 0.113 5.955 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.396 0.012 8.095 1.00 10.00 N ATOM 0 HA ASN B 357 -18.540 -2.287 4.899 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.625 -2.019 6.265 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.721 -2.445 7.704 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -19.133 0.983 8.262 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.790 -0.547 8.852 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.267 -2.405 5.871 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.944 -2.409 6.465 1.00 10.00 C ATOM 1249 C ASN B 358 -14.410 -0.992 6.500 1.00 10.00 C ATOM 1250 O ASN B 358 -14.339 -0.329 5.468 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.009 -3.313 5.652 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.608 -3.393 6.223 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -11.757 -2.550 5.947 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -12.357 -4.421 7.010 1.00 10.00 N ATOM 0 H ASN B 358 -16.310 -2.051 4.916 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.999 -2.796 7.482 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.433 -4.316 5.607 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.956 -2.943 4.628 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.428 -4.539 7.415 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -13.092 -5.098 7.214 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.056 -0.528 7.687 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.520 0.815 7.834 1.00 10.00 C ATOM 1263 C ARG B 359 -12.179 0.800 8.555 1.00 10.00 C ATOM 1264 O ARG B 359 -12.068 0.269 9.663 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.515 1.704 8.592 1.00 10.00 C ATOM 1266 CG ARG B 359 -15.207 0.995 9.747 1.00 10.00 C ATOM 1267 CD ARG B 359 -16.332 1.835 10.336 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.992 1.162 11.458 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.351 1.767 12.594 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.103 3.061 12.773 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.953 1.067 13.555 1.00 10.00 N ATOM 0 H ARG B 359 -14.129 -1.056 8.556 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.363 1.224 6.836 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.989 2.578 8.976 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.270 2.067 7.894 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.608 0.043 9.400 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -14.477 0.769 10.524 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.932 2.792 10.672 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -17.067 2.051 9.560 1.00 10.00 H new ATOM 0 HE ARG B 359 -17.190 0.166 11.366 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.637 3.597 12.041 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.379 3.518 13.642 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -18.138 0.073 13.422 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -18.228 1.525 14.424 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.163 1.367 7.921 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.841 1.467 8.536 1.00 10.00 C ATOM 1287 C ASP B 360 -9.361 2.919 8.497 1.00 10.00 C ATOM 1288 O ASP B 360 -9.502 3.583 7.474 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.827 0.505 7.910 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.710 0.184 8.886 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.544 0.529 8.614 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -8.006 -0.405 9.951 1.00 10.00 O ATOM 0 H ASP B 360 -11.225 1.765 6.984 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.928 1.159 9.578 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.329 -0.415 7.611 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.409 0.948 7.006 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.812 3.462 9.596 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.367 4.843 9.635 1.00 10.00 C ATOM 1299 C PRO B 361 -6.846 4.996 9.688 1.00 10.00 C ATOM 1300 O PRO B 361 -6.165 4.429 10.547 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.972 5.278 10.973 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.932 4.042 11.844 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.686 2.853 10.926 1.00 10.00 C ATOM 0 HA PRO B 361 -8.660 5.411 8.752 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.400 6.092 11.418 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.993 5.638 10.846 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.141 4.122 12.590 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.870 3.922 12.386 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.700 2.414 11.082 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.417 2.059 11.082 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.322 5.798 8.771 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.890 6.029 8.682 1.00 10.00 C ATOM 1313 C ILE B 362 -4.558 7.509 8.855 1.00 10.00 C ATOM 1314 O ILE B 362 -5.186 8.385 8.257 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.299 5.505 7.351 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.732 4.051 7.117 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.776 5.615 7.363 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.061 3.388 5.932 1.00 10.00 C ATOM 0 H ILE B 362 -6.872 6.301 8.075 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.431 5.468 9.496 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.680 6.118 6.534 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.517 3.470 8.014 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.812 4.024 6.971 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.377 5.242 6.420 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.488 6.658 7.492 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.375 5.023 8.186 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.421 2.364 5.836 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.297 3.942 5.023 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.981 3.380 6.083 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.563 7.774 9.673 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.129 9.127 9.965 1.00 10.00 C ATOM 1332 C VAL B 363 -1.717 9.338 9.464 1.00 10.00 C ATOM 1333 O VAL B 363 -0.843 8.482 9.616 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.197 9.455 11.470 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.945 10.939 11.711 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.535 9.030 12.050 1.00 10.00 C ATOM 0 H VAL B 363 -3.028 7.054 10.158 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.814 9.801 9.450 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.413 8.894 11.979 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.998 11.148 12.779 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.956 11.206 11.337 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.701 11.526 11.189 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.563 9.270 13.113 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.338 9.559 11.537 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.665 7.956 11.917 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.516 10.497 8.874 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.258 10.875 8.273 1.00 10.00 C ATOM 1348 C ILE B 364 0.394 11.959 9.101 1.00 10.00 C ATOM 1349 O ILE B 364 -0.279 12.789 9.724 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.401 11.353 6.803 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.759 10.827 5.951 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.453 12.873 6.723 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.824 9.320 5.877 1.00 10.00 C ATOM 0 H ILE B 364 -2.237 11.215 8.798 1.00 10.00 H new ATOM 0 HA ILE B 364 0.365 9.981 8.253 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.338 10.954 6.414 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.667 11.228 4.941 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.697 11.203 6.359 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.553 13.179 5.682 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.307 13.238 7.293 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.465 13.291 7.137 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.670 9.022 5.257 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.947 8.911 6.880 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.098 8.937 5.440 1.00 10.00 H new HETATM 1365 N SEP B 365 1.703 11.923 9.123 1.00 10.00 N HETATM 1366 CA SEP B 365 2.482 12.841 9.904 1.00 10.00 C HETATM 1367 CB SEP B 365 3.637 12.040 10.514 1.00 10.00 C HETATM 1368 OG SEP B 365 4.136 11.114 9.541 1.00 10.00 O HETATM 1369 C SEP B 365 3.021 13.905 8.970 1.00 10.00 C HETATM 1370 O SEP B 365 3.574 13.606 7.910 1.00 10.00 O HETATM 1371 P SEP B 365 5.287 10.055 9.885 1.00 10.00 P HETATM 1372 O1P SEP B 365 5.407 8.970 8.897 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.294 9.581 11.277 1.00 10.00 O HETATM 1374 O3P SEP B 365 6.651 10.867 9.720 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.432 12.713 10.834 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.296 11.505 11.400 1.00 10.00 H new HETATM 0 HA SEP B 365 1.897 13.316 10.691 1.00 10.00 H new HETATM 0 H SEP B 365 1.976 10.942 9.067 1.00 10.00 H new ATOM 1379 N ASP B 366 2.787 15.151 9.342 1.00 10.00 N ATOM 1380 CA ASP B 366 3.188 16.277 8.529 1.00 10.00 C ATOM 1381 C ASP B 366 4.146 17.173 9.286 1.00 10.00 C ATOM 1382 O ASP B 366 3.873 17.578 10.419 1.00 10.00 O ATOM 1383 CB ASP B 366 1.940 17.062 8.116 1.00 10.00 C ATOM 1384 CG ASP B 366 2.176 17.992 6.946 1.00 10.00 C ATOM 1385 OD1 ASP B 366 1.853 19.199 7.067 1.00 10.00 O ATOM 1386 OD2 ASP B 366 2.656 17.524 5.898 1.00 10.00 O ATOM 0 H ASP B 366 2.317 15.406 10.210 1.00 10.00 H new ATOM 0 HA ASP B 366 3.704 15.912 7.641 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.147 16.360 7.859 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.587 17.644 8.968 1.00 10.00 H new HETATM 1391 N SEP B 367 5.262 17.460 8.656 1.00 10.00 N HETATM 1392 CA SEP B 367 6.289 18.302 9.223 1.00 10.00 C HETATM 1393 CB SEP B 367 7.622 18.015 8.526 1.00 10.00 C HETATM 1394 OG SEP B 367 8.050 16.664 8.730 1.00 10.00 O HETATM 1395 C SEP B 367 5.919 19.778 9.084 1.00 10.00 C HETATM 1396 O SEP B 367 5.863 20.308 7.973 1.00 10.00 O HETATM 1397 P SEP B 367 7.398 15.439 7.917 1.00 10.00 P HETATM 1398 O1P SEP B 367 6.424 15.840 6.889 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.375 14.446 7.431 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.543 14.640 9.007 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.522 18.207 7.458 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.383 18.698 8.903 1.00 10.00 H new HETATM 0 HA SEP B 367 6.383 18.081 10.286 1.00 10.00 H new HETATM 0 H SEP B 367 5.494 16.806 7.908 1.00 10.00 H new ATOM 1405 N PRO B 368 5.637 20.457 10.211 1.00 10.00 N ATOM 1406 CA PRO B 368 5.276 21.875 10.214 1.00 10.00 C ATOM 1407 C PRO B 368 6.470 22.775 9.894 1.00 10.00 C ATOM 1408 O PRO B 368 6.651 23.132 8.709 1.00 10.00 O ATOM 1409 CB PRO B 368 4.785 22.128 11.649 1.00 10.00 C ATOM 1410 CG PRO B 368 4.659 20.782 12.279 1.00 10.00 C ATOM 1411 CD PRO B 368 5.635 19.898 11.567 1.00 10.00 C ATOM 0 HA PRO B 368 4.529 22.103 9.453 1.00 10.00 H new ATOM 0 HB2 PRO B 368 5.489 22.753 12.199 1.00 10.00 H new ATOM 0 HB3 PRO B 368 3.828 22.651 11.649 1.00 10.00 H new ATOM 0 HG2 PRO B 368 4.881 20.828 13.345 1.00 10.00 H new ATOM 0 HG3 PRO B 368 3.643 20.399 12.181 1.00 10.00 H new ATOM 0 HD2 PRO B 368 6.624 19.935 12.023 1.00 10.00 H new ATOM 0 HD3 PRO B 368 5.319 18.855 11.576 1.00 10.00 H new TER 1419 PRO B 368