USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 HIS :FLIP no HD1:sc= -20.3! C(o=-30!,f=-27!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -118:sc= -7.08! (180deg=-15!) USER MOD Set 2.1: A 36 THR OG1 : rot 176:sc= 1.32 USER MOD Set 2.2: A 40 TYR OH : rot -99:sc= -1.93 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.17! USER MOD Single : A 22 GLN :FLIP amide:sc= -2.59 F(o=-3.9!,f=-2.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.209 F(o=-2!,f=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.47! C(o=-4.5!,f=-5.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.08! C(o=-4.1!,f=-7.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 51 LYS NZ :NH3+ -110:sc= -0.0547 (180deg=-0.797) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.733 F(o=-1.5,f=-0.73) USER MOD Single : A 58 THR OG1 : rot -30:sc= 0.288 USER MOD Single : A 59 ASN : amide:sc= -4.35! C(o=-4.3!,f=-8.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= -2.45! USER MOD Single : A 61 TYR OH : rot -116:sc= 0.417 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -2.93! (180deg=-4.53!) USER MOD Single : A 92 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.29) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.131) USER MOD Single : A 94 TYR OH : rot -130:sc= -0.281 USER MOD Single : A 95 MET CE :methyl -175:sc= -8.64! (180deg=-8.9!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= -0.0204 (180deg=-0.0204) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 24:sc= -1.69! USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -7.38! C(o=-7.4!,f=-15!) USER MOD Single : A 117 ASN : amide:sc= -1.28! C(o=-1.3!,f=-6.1!) USER MOD Single : A 118 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0707) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.64! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.530 0.146 11.587 1.00 0.00 N ATOM 68 CA LEU A 11 -7.295 -0.642 11.313 1.00 0.00 C ATOM 69 C LEU A 11 -7.436 -2.061 11.844 1.00 0.00 C ATOM 70 O LEU A 11 -7.632 -2.288 13.021 1.00 0.00 O ATOM 71 CB LEU A 11 -6.098 0.029 11.975 1.00 0.00 C ATOM 72 CG LEU A 11 -5.626 1.135 11.052 1.00 0.00 C ATOM 73 CD1 LEU A 11 -5.692 2.472 11.783 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.183 0.875 10.611 1.00 0.00 C ATOM 0 HA LEU A 11 -7.144 -0.683 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.376 0.434 12.948 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.300 -0.694 12.147 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.271 1.160 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.353 3.267 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.719 2.669 12.089 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.051 2.437 12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.855 1.676 9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.535 0.841 11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.130 -0.077 10.083 1.00 0.00 H new ATOM 86 N SER A 12 -7.331 -3.014 10.972 1.00 0.00 N ATOM 87 CA SER A 12 -7.451 -4.434 11.401 1.00 0.00 C ATOM 88 C SER A 12 -6.057 -5.052 11.512 1.00 0.00 C ATOM 89 O SER A 12 -5.072 -4.461 11.115 1.00 0.00 O ATOM 90 CB SER A 12 -8.273 -5.220 10.379 1.00 0.00 C ATOM 91 OG SER A 12 -9.405 -5.789 11.026 1.00 0.00 O ATOM 0 H SER A 12 -7.166 -2.875 9.975 1.00 0.00 H new ATOM 0 HA SER A 12 -7.949 -4.473 12.370 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.594 -4.563 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.663 -6.004 9.930 1.00 0.00 H new ATOM 0 HG SER A 12 -9.936 -6.292 10.374 1.00 0.00 H new ATOM 97 N GLU A 13 -5.969 -6.236 12.050 1.00 0.00 N ATOM 98 CA GLU A 13 -4.654 -6.902 12.195 1.00 0.00 C ATOM 99 C GLU A 13 -3.895 -6.845 10.870 1.00 0.00 C ATOM 100 O GLU A 13 -4.373 -6.304 9.892 1.00 0.00 O ATOM 101 CB GLU A 13 -4.865 -8.359 12.598 1.00 0.00 C ATOM 102 CG GLU A 13 -3.866 -8.736 13.691 1.00 0.00 C ATOM 103 CD GLU A 13 -3.587 -10.239 13.632 1.00 0.00 C ATOM 104 OE1 GLU A 13 -2.751 -10.635 12.837 1.00 0.00 O ATOM 105 OE2 GLU A 13 -4.211 -10.967 14.386 1.00 0.00 O ATOM 0 H GLU A 13 -6.763 -6.773 12.398 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.074 -6.390 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.884 -8.504 12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.736 -9.009 11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.939 -8.178 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.263 -8.467 14.670 1.00 0.00 H new ATOM 112 N ALA A 14 -2.716 -7.401 10.823 1.00 0.00 N ATOM 113 CA ALA A 14 -1.941 -7.367 9.550 1.00 0.00 C ATOM 114 C ALA A 14 -2.418 -8.459 8.617 1.00 0.00 C ATOM 115 O ALA A 14 -1.982 -9.590 8.707 1.00 0.00 O ATOM 116 CB ALA A 14 -0.456 -7.612 9.801 1.00 0.00 C ATOM 0 H ALA A 14 -2.259 -7.873 11.603 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.092 -6.380 9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.083 -7.581 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.067 -6.840 10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.322 -8.590 10.263 1.00 0.00 H new ATOM 122 N LYS A 15 -3.247 -8.141 7.676 1.00 0.00 N ATOM 123 CA LYS A 15 -3.640 -9.191 6.720 1.00 0.00 C ATOM 124 C LYS A 15 -2.386 -9.426 5.901 1.00 0.00 C ATOM 125 O LYS A 15 -1.791 -8.483 5.431 1.00 0.00 O ATOM 126 CB LYS A 15 -4.788 -8.710 5.828 1.00 0.00 C ATOM 127 CG LYS A 15 -6.098 -8.751 6.620 1.00 0.00 C ATOM 128 CD LYS A 15 -6.367 -10.185 7.077 1.00 0.00 C ATOM 129 CE LYS A 15 -6.172 -10.285 8.591 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.246 -11.139 9.171 1.00 0.00 N ATOM 0 H LYS A 15 -3.661 -7.220 7.530 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.997 -10.096 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.592 -7.696 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.865 -9.342 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.036 -8.088 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.922 -8.393 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.383 -10.478 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.693 -10.873 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.193 -10.709 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.200 -9.292 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.116 -11.209 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.174 -10.716 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.199 -12.089 8.751 1.00 0.00 H new ATOM 144 N PRO A 16 -1.969 -10.643 5.780 1.00 0.00 N ATOM 145 CA PRO A 16 -0.738 -10.924 5.051 1.00 0.00 C ATOM 146 C PRO A 16 -0.958 -10.608 3.572 1.00 0.00 C ATOM 147 O PRO A 16 -1.914 -11.056 2.971 1.00 0.00 O ATOM 148 CB PRO A 16 -0.482 -12.410 5.325 1.00 0.00 C ATOM 149 CG PRO A 16 -1.846 -13.007 5.752 1.00 0.00 C ATOM 150 CD PRO A 16 -2.674 -11.827 6.301 1.00 0.00 C ATOM 0 HA PRO A 16 0.122 -10.327 5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.098 -12.910 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.263 -12.539 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.349 -13.476 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.714 -13.778 6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.707 -11.865 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.704 -11.830 7.391 1.00 0.00 H new ATOM 158 N ALA A 17 -0.111 -9.793 2.999 1.00 0.00 N ATOM 159 CA ALA A 17 -0.297 -9.393 1.576 1.00 0.00 C ATOM 160 C ALA A 17 -0.819 -10.550 0.725 1.00 0.00 C ATOM 161 O ALA A 17 -0.740 -11.708 1.080 1.00 0.00 O ATOM 162 CB ALA A 17 1.023 -8.906 0.991 1.00 0.00 C ATOM 0 H ALA A 17 0.704 -9.387 3.459 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.035 -8.591 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.875 -8.616 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.378 -8.047 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.761 -9.706 1.043 1.00 0.00 H new ATOM 168 N THR A 18 -1.339 -10.208 -0.415 1.00 0.00 N ATOM 169 CA THR A 18 -1.877 -11.210 -1.366 1.00 0.00 C ATOM 170 C THR A 18 -1.581 -10.666 -2.762 1.00 0.00 C ATOM 171 O THR A 18 -0.820 -9.730 -2.876 1.00 0.00 O ATOM 172 CB THR A 18 -3.392 -11.359 -1.155 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.083 -10.472 -2.012 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.765 -11.012 0.271 1.00 0.00 C ATOM 0 H THR A 18 -1.415 -9.243 -0.736 1.00 0.00 H new ATOM 0 HA THR A 18 -1.426 -12.192 -1.224 1.00 0.00 H new ATOM 0 HB THR A 18 -3.664 -12.392 -1.370 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.048 -10.571 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.841 -11.123 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.245 -11.681 0.956 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.478 -9.982 0.482 1.00 0.00 H new ATOM 182 N PRO A 19 -2.180 -11.205 -3.792 1.00 0.00 N ATOM 183 CA PRO A 19 -1.941 -10.672 -5.133 1.00 0.00 C ATOM 184 C PRO A 19 -2.660 -9.325 -5.256 1.00 0.00 C ATOM 185 O PRO A 19 -2.305 -8.487 -6.065 1.00 0.00 O ATOM 186 CB PRO A 19 -2.516 -11.741 -6.068 1.00 0.00 C ATOM 187 CG PRO A 19 -3.516 -12.562 -5.224 1.00 0.00 C ATOM 188 CD PRO A 19 -3.118 -12.353 -3.749 1.00 0.00 C ATOM 0 HA PRO A 19 -0.894 -10.482 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.013 -11.283 -6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.725 -12.379 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.539 -12.229 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.474 -13.618 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.987 -12.136 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.643 -13.242 -3.334 1.00 0.00 H new ATOM 196 N GLU A 20 -3.643 -9.089 -4.423 1.00 0.00 N ATOM 197 CA GLU A 20 -4.353 -7.782 -4.480 1.00 0.00 C ATOM 198 C GLU A 20 -3.535 -6.747 -3.727 1.00 0.00 C ATOM 199 O GLU A 20 -3.319 -5.649 -4.195 1.00 0.00 O ATOM 200 CB GLU A 20 -5.740 -7.911 -3.848 1.00 0.00 C ATOM 201 CG GLU A 20 -6.470 -9.106 -4.462 1.00 0.00 C ATOM 202 CD GLU A 20 -7.936 -8.739 -4.699 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.217 -8.137 -5.721 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.751 -9.065 -3.851 1.00 0.00 O ATOM 0 H GLU A 20 -3.979 -9.740 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.472 -7.474 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.649 -8.041 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.312 -6.998 -4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.998 -9.390 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.402 -9.968 -3.798 1.00 0.00 H new ATOM 211 N ILE A 21 -3.053 -7.099 -2.577 1.00 0.00 N ATOM 212 CA ILE A 21 -2.213 -6.153 -1.806 1.00 0.00 C ATOM 213 C ILE A 21 -1.026 -5.800 -2.683 1.00 0.00 C ATOM 214 O ILE A 21 -0.772 -4.653 -2.998 1.00 0.00 O ATOM 215 CB ILE A 21 -1.735 -6.851 -0.532 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.893 -7.657 0.064 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.265 -5.812 0.481 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.173 -6.825 0.018 1.00 0.00 C ATOM 0 H ILE A 21 -3.205 -8.005 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.763 -5.254 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.906 -7.517 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.029 -8.584 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.664 -7.935 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.926 -6.314 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.443 -5.235 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.090 -5.143 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.996 -7.400 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.034 -5.911 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.404 -6.570 -1.016 1.00 0.00 H new ATOM 230 N GLN A 22 -0.320 -6.801 -3.103 1.00 0.00 N ATOM 231 CA GLN A 22 0.846 -6.574 -4.003 1.00 0.00 C ATOM 232 C GLN A 22 0.351 -5.839 -5.252 1.00 0.00 C ATOM 233 O GLN A 22 1.118 -5.225 -5.959 1.00 0.00 O ATOM 234 CB GLN A 22 1.474 -7.921 -4.392 1.00 0.00 C ATOM 235 CG GLN A 22 2.359 -7.763 -5.640 1.00 0.00 C ATOM 236 CD GLN A 22 3.707 -7.139 -5.258 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.902 -5.857 -5.427 1.00 0.00 O flip ATOM 238 NE2 GLN A 22 4.595 -7.830 -4.800 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.497 -7.776 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 22 1.604 -5.976 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.069 -8.304 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.689 -8.652 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.519 -8.735 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.855 -7.136 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.446 -8.830 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.490 -7.410 -4.548 1.00 0.00 H new ATOM 247 N GLU A 23 -0.925 -5.894 -5.533 1.00 0.00 N ATOM 248 CA GLU A 23 -1.448 -5.178 -6.735 1.00 0.00 C ATOM 249 C GLU A 23 -1.503 -3.675 -6.446 1.00 0.00 C ATOM 250 O GLU A 23 -1.193 -2.863 -7.286 1.00 0.00 O ATOM 251 CB GLU A 23 -2.855 -5.678 -7.065 1.00 0.00 C ATOM 252 CG GLU A 23 -2.994 -5.842 -8.578 1.00 0.00 C ATOM 253 CD GLU A 23 -4.006 -6.950 -8.880 1.00 0.00 C ATOM 254 OE1 GLU A 23 -5.182 -6.641 -8.975 1.00 0.00 O ATOM 255 OE2 GLU A 23 -3.587 -8.087 -9.015 1.00 0.00 O ATOM 0 H GLU A 23 -1.623 -6.399 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.788 -5.369 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.041 -6.629 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.599 -4.973 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.320 -4.904 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.028 -6.087 -9.018 1.00 0.00 H new ATOM 262 N ILE A 24 -1.885 -3.310 -5.255 1.00 0.00 N ATOM 263 CA ILE A 24 -1.955 -1.867 -4.873 1.00 0.00 C ATOM 264 C ILE A 24 -0.555 -1.280 -4.922 1.00 0.00 C ATOM 265 O ILE A 24 -0.310 -0.245 -5.510 1.00 0.00 O ATOM 266 CB ILE A 24 -2.485 -1.781 -3.443 1.00 0.00 C ATOM 267 CG1 ILE A 24 -3.991 -2.054 -3.436 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.218 -0.390 -2.877 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.286 -3.239 -2.515 1.00 0.00 C ATOM 0 H ILE A 24 -2.157 -3.959 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.607 -1.319 -5.553 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.978 -2.524 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.531 -1.171 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.338 -2.269 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.598 -0.333 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.145 -0.197 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.720 0.356 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.358 -3.436 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.757 -4.121 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.953 -3.005 -1.504 1.00 0.00 H new ATOM 281 N VAL A 25 0.357 -1.948 -4.304 1.00 0.00 N ATOM 282 CA VAL A 25 1.754 -1.485 -4.277 1.00 0.00 C ATOM 283 C VAL A 25 2.337 -1.558 -5.678 1.00 0.00 C ATOM 284 O VAL A 25 3.054 -0.689 -6.128 1.00 0.00 O ATOM 285 CB VAL A 25 2.501 -2.435 -3.388 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.430 -3.798 -4.014 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.943 -2.033 -3.299 1.00 0.00 C ATOM 0 H VAL A 25 0.188 -2.820 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 25 1.824 -0.458 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 25 2.063 -2.428 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.965 -4.513 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.387 -4.103 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.886 -3.768 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.476 -2.729 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.388 -2.050 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.015 -1.027 -2.887 1.00 0.00 H new ATOM 297 N ASP A 26 2.015 -2.600 -6.364 1.00 0.00 N ATOM 298 CA ASP A 26 2.519 -2.769 -7.747 1.00 0.00 C ATOM 299 C ASP A 26 1.725 -1.831 -8.645 1.00 0.00 C ATOM 300 O ASP A 26 2.088 -1.569 -9.775 1.00 0.00 O ATOM 301 CB ASP A 26 2.320 -4.217 -8.199 1.00 0.00 C ATOM 302 CG ASP A 26 2.669 -4.342 -9.682 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.435 -3.522 -10.162 1.00 0.00 O ATOM 304 OD2 ASP A 26 2.163 -5.254 -10.315 1.00 0.00 O ATOM 0 H ASP A 26 1.417 -3.354 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 26 3.583 -2.537 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.950 -4.883 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.287 -4.523 -8.031 1.00 0.00 H new ATOM 309 N LYS A 27 0.647 -1.308 -8.134 1.00 0.00 N ATOM 310 CA LYS A 27 -0.172 -0.363 -8.950 1.00 0.00 C ATOM 311 C LYS A 27 0.243 1.071 -8.614 1.00 0.00 C ATOM 312 O LYS A 27 -0.159 2.015 -9.266 1.00 0.00 O ATOM 313 CB LYS A 27 -1.669 -0.537 -8.646 1.00 0.00 C ATOM 314 CG LYS A 27 -2.479 0.231 -9.691 1.00 0.00 C ATOM 315 CD LYS A 27 -2.700 -0.655 -10.921 1.00 0.00 C ATOM 316 CE LYS A 27 -1.942 -0.075 -12.116 1.00 0.00 C ATOM 317 NZ LYS A 27 -2.350 -0.787 -13.362 1.00 0.00 N ATOM 0 H LYS A 27 0.297 -1.490 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.003 -0.572 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.937 -1.593 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.896 -0.167 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.438 0.534 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.953 1.142 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.356 -1.669 -10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.764 -0.719 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.151 0.991 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.868 -0.177 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.833 -0.391 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.129 -1.799 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.372 -0.668 -13.511 1.00 0.00 H new ATOM 331 N VAL A 28 1.034 1.242 -7.589 1.00 0.00 N ATOM 332 CA VAL A 28 1.461 2.616 -7.195 1.00 0.00 C ATOM 333 C VAL A 28 2.975 2.797 -7.384 1.00 0.00 C ATOM 334 O VAL A 28 3.468 3.905 -7.370 1.00 0.00 O ATOM 335 CB VAL A 28 1.109 2.831 -5.730 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.411 2.771 -5.564 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.761 1.725 -4.906 1.00 0.00 C ATOM 0 H VAL A 28 1.403 0.490 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 28 0.948 3.342 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 28 1.468 3.803 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.669 2.924 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.874 3.550 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.774 1.796 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.518 1.865 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.389 0.756 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.842 1.763 -5.037 1.00 0.00 H new ATOM 347 N LYS A 29 3.718 1.728 -7.548 1.00 0.00 N ATOM 348 CA LYS A 29 5.197 1.860 -7.732 1.00 0.00 C ATOM 349 C LYS A 29 5.536 3.091 -8.592 1.00 0.00 C ATOM 350 O LYS A 29 6.352 3.893 -8.189 1.00 0.00 O ATOM 351 CB LYS A 29 5.747 0.591 -8.392 1.00 0.00 C ATOM 352 CG LYS A 29 7.149 0.863 -8.946 1.00 0.00 C ATOM 353 CD LYS A 29 7.868 -0.462 -9.189 1.00 0.00 C ATOM 354 CE LYS A 29 7.423 -1.043 -10.532 1.00 0.00 C ATOM 355 NZ LYS A 29 6.889 -2.418 -10.324 1.00 0.00 N ATOM 0 H LYS A 29 3.364 0.772 -7.562 1.00 0.00 H new ATOM 0 HA LYS A 29 5.659 1.992 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.784 -0.221 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.084 0.271 -9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.081 1.427 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.717 1.473 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.947 -0.309 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.644 -1.163 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.659 -0.408 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.263 -1.068 -11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.586 -2.814 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.631 -3.020 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.076 -2.381 -9.676 1.00 0.00 H new ATOM 369 N PRO A 30 4.909 3.225 -9.743 1.00 0.00 N ATOM 370 CA PRO A 30 5.163 4.379 -10.628 1.00 0.00 C ATOM 371 C PRO A 30 4.581 5.638 -9.998 1.00 0.00 C ATOM 372 O PRO A 30 5.157 6.705 -10.073 1.00 0.00 O ATOM 373 CB PRO A 30 4.462 4.003 -11.937 1.00 0.00 C ATOM 374 CG PRO A 30 3.409 2.936 -11.571 1.00 0.00 C ATOM 375 CD PRO A 30 3.898 2.277 -10.265 1.00 0.00 C ATOM 0 HA PRO A 30 6.220 4.589 -10.793 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.991 4.875 -12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.176 3.613 -12.663 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.427 3.389 -11.434 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.311 2.197 -12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.080 2.136 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.331 1.294 -10.451 1.00 0.00 H new ATOM 383 N GLN A 31 3.466 5.516 -9.335 1.00 0.00 N ATOM 384 CA GLN A 31 2.884 6.703 -8.657 1.00 0.00 C ATOM 385 C GLN A 31 3.758 7.035 -7.444 1.00 0.00 C ATOM 386 O GLN A 31 3.577 8.039 -6.786 1.00 0.00 O ATOM 387 CB GLN A 31 1.460 6.384 -8.196 1.00 0.00 C ATOM 388 CG GLN A 31 0.616 5.959 -9.401 1.00 0.00 C ATOM 389 CD GLN A 31 -0.854 5.876 -8.989 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.194 5.128 -7.976 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.704 6.499 -9.594 1.00 0.00 N flip ATOM 0 H GLN A 31 2.936 4.650 -9.234 1.00 0.00 H new ATOM 0 HA GLN A 31 2.850 7.551 -9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.477 5.588 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.017 7.258 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.737 6.675 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.956 4.993 -9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.440 7.084 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.681 6.436 -9.309 1.00 0.00 H new ATOM 400 N LEU A 32 4.717 6.192 -7.157 1.00 0.00 N ATOM 401 CA LEU A 32 5.623 6.436 -6.007 1.00 0.00 C ATOM 402 C LEU A 32 6.899 7.098 -6.532 1.00 0.00 C ATOM 403 O LEU A 32 7.420 8.031 -5.956 1.00 0.00 O ATOM 404 CB LEU A 32 5.955 5.101 -5.352 1.00 0.00 C ATOM 405 CG LEU A 32 4.941 4.831 -4.246 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.759 3.330 -4.101 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.440 5.415 -2.924 1.00 0.00 C ATOM 0 H LEU A 32 4.909 5.337 -7.679 1.00 0.00 H new ATOM 0 HA LEU A 32 5.151 7.087 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.929 4.301 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.965 5.123 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 32 3.990 5.299 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.035 3.126 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.397 2.915 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.714 2.871 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.709 5.217 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.391 4.953 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.576 6.491 -3.030 1.00 0.00 H new ATOM 419 N GLU A 33 7.392 6.624 -7.643 1.00 0.00 N ATOM 420 CA GLU A 33 8.621 7.218 -8.239 1.00 0.00 C ATOM 421 C GLU A 33 8.315 8.642 -8.707 1.00 0.00 C ATOM 422 O GLU A 33 9.197 9.380 -9.092 1.00 0.00 O ATOM 423 CB GLU A 33 9.063 6.381 -9.441 1.00 0.00 C ATOM 424 CG GLU A 33 9.624 5.042 -8.959 1.00 0.00 C ATOM 425 CD GLU A 33 10.805 4.638 -9.842 1.00 0.00 C ATOM 426 OE1 GLU A 33 10.935 5.199 -10.918 1.00 0.00 O ATOM 427 OE2 GLU A 33 11.558 3.772 -9.428 1.00 0.00 O ATOM 0 H GLU A 33 6.993 5.845 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 33 9.415 7.234 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.219 6.213 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.820 6.919 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.943 5.122 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.849 4.276 -8.996 1.00 0.00 H new ATOM 434 N GLU A 34 7.069 9.029 -8.692 1.00 0.00 N ATOM 435 CA GLU A 34 6.719 10.406 -9.150 1.00 0.00 C ATOM 436 C GLU A 34 6.658 11.360 -7.953 1.00 0.00 C ATOM 437 O GLU A 34 7.333 12.371 -7.922 1.00 0.00 O ATOM 438 CB GLU A 34 5.358 10.385 -9.851 1.00 0.00 C ATOM 439 CG GLU A 34 5.244 11.589 -10.790 1.00 0.00 C ATOM 440 CD GLU A 34 4.942 11.103 -12.209 1.00 0.00 C ATOM 441 OE1 GLU A 34 4.254 10.103 -12.337 1.00 0.00 O ATOM 442 OE2 GLU A 34 5.402 11.738 -13.143 1.00 0.00 O ATOM 0 H GLU A 34 6.282 8.457 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 34 7.484 10.751 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.243 9.459 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.557 10.410 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.454 12.257 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.172 12.161 -10.780 1.00 0.00 H new ATOM 449 N LYS A 35 5.851 11.060 -6.972 1.00 0.00 N ATOM 450 CA LYS A 35 5.750 11.967 -5.791 1.00 0.00 C ATOM 451 C LYS A 35 6.977 11.793 -4.892 1.00 0.00 C ATOM 452 O LYS A 35 7.606 12.753 -4.493 1.00 0.00 O ATOM 453 CB LYS A 35 4.480 11.642 -5.003 1.00 0.00 C ATOM 454 CG LYS A 35 3.460 12.768 -5.198 1.00 0.00 C ATOM 455 CD LYS A 35 2.080 12.173 -5.482 1.00 0.00 C ATOM 456 CE LYS A 35 1.690 12.457 -6.934 1.00 0.00 C ATOM 457 NZ LYS A 35 0.262 12.876 -6.991 1.00 0.00 N ATOM 0 H LYS A 35 5.259 10.230 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 35 5.707 13.000 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.061 10.694 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.714 11.528 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.420 13.393 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.766 13.410 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.092 11.098 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.341 12.602 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.327 13.240 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.844 11.567 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.004 13.069 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.338 12.115 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.130 13.736 -6.422 1.00 0.00 H new ATOM 471 N THR A 36 7.330 10.577 -4.574 1.00 0.00 N ATOM 472 CA THR A 36 8.525 10.349 -3.706 1.00 0.00 C ATOM 473 C THR A 36 9.787 10.474 -4.556 1.00 0.00 C ATOM 474 O THR A 36 10.886 10.581 -4.050 1.00 0.00 O ATOM 475 CB THR A 36 8.473 8.947 -3.090 1.00 0.00 C ATOM 476 OG1 THR A 36 9.250 8.056 -3.878 1.00 0.00 O ATOM 477 CG2 THR A 36 7.031 8.457 -3.043 1.00 0.00 C ATOM 0 H THR A 36 6.845 9.732 -4.876 1.00 0.00 H new ATOM 0 HA THR A 36 8.533 11.089 -2.906 1.00 0.00 H new ATOM 0 HB THR A 36 8.873 8.984 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.271 7.175 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.000 7.460 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.435 9.139 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.626 8.421 -4.054 1.00 0.00 H new ATOM 485 N ASN A 37 9.626 10.449 -5.849 1.00 0.00 N ATOM 486 CA ASN A 37 10.797 10.561 -6.768 1.00 0.00 C ATOM 487 C ASN A 37 11.928 9.659 -6.281 1.00 0.00 C ATOM 488 O ASN A 37 12.992 10.119 -5.913 1.00 0.00 O ATOM 489 CB ASN A 37 11.285 12.014 -6.847 1.00 0.00 C ATOM 490 CG ASN A 37 11.247 12.664 -5.464 1.00 0.00 C ATOM 491 OD1 ASN A 37 10.231 13.194 -5.057 1.00 0.00 O ATOM 492 ND2 ASN A 37 12.315 12.645 -4.715 1.00 0.00 N ATOM 0 H ASN A 37 8.724 10.355 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 37 10.487 10.244 -7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.301 12.042 -7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.659 12.578 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.297 13.074 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.168 12.201 -5.055 1.00 0.00 H new ATOM 499 N GLU A 38 11.708 8.375 -6.292 1.00 0.00 N ATOM 500 CA GLU A 38 12.768 7.425 -5.849 1.00 0.00 C ATOM 501 C GLU A 38 12.921 6.327 -6.901 1.00 0.00 C ATOM 502 O GLU A 38 12.270 6.348 -7.928 1.00 0.00 O ATOM 503 CB GLU A 38 12.380 6.803 -4.506 1.00 0.00 C ATOM 504 CG GLU A 38 13.108 7.542 -3.383 1.00 0.00 C ATOM 505 CD GLU A 38 12.763 6.902 -2.037 1.00 0.00 C ATOM 506 OE1 GLU A 38 12.813 5.687 -1.951 1.00 0.00 O ATOM 507 OE2 GLU A 38 12.457 7.639 -1.114 1.00 0.00 O ATOM 0 H GLU A 38 10.835 7.939 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 38 13.712 7.957 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.302 6.866 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.642 5.745 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.185 7.506 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.821 8.594 -3.381 1.00 0.00 H new ATOM 514 N THR A 39 13.777 5.373 -6.664 1.00 0.00 N ATOM 515 CA THR A 39 13.961 4.286 -7.666 1.00 0.00 C ATOM 516 C THR A 39 13.160 3.061 -7.254 1.00 0.00 C ATOM 517 O THR A 39 12.737 2.277 -8.081 1.00 0.00 O ATOM 518 CB THR A 39 15.444 3.920 -7.770 1.00 0.00 C ATOM 519 OG1 THR A 39 16.181 5.053 -8.213 1.00 0.00 O ATOM 520 CG2 THR A 39 15.616 2.774 -8.768 1.00 0.00 C ATOM 0 H THR A 39 14.354 5.298 -5.826 1.00 0.00 H new ATOM 0 HA THR A 39 13.608 4.635 -8.636 1.00 0.00 H new ATOM 0 HB THR A 39 15.813 3.608 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.131 4.820 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.671 2.512 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.050 1.907 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.249 3.085 -9.746 1.00 0.00 H new ATOM 528 N TYR A 40 12.933 2.922 -5.985 1.00 0.00 N ATOM 529 CA TYR A 40 12.145 1.774 -5.461 1.00 0.00 C ATOM 530 C TYR A 40 12.422 0.512 -6.284 1.00 0.00 C ATOM 531 O TYR A 40 13.409 0.409 -6.987 1.00 0.00 O ATOM 532 CB TYR A 40 10.671 2.138 -5.546 1.00 0.00 C ATOM 533 CG TYR A 40 10.357 3.270 -4.592 1.00 0.00 C ATOM 534 CD1 TYR A 40 10.966 3.331 -3.330 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.447 4.262 -4.974 1.00 0.00 C ATOM 536 CE1 TYR A 40 10.662 4.385 -2.459 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.144 5.313 -4.104 1.00 0.00 C ATOM 538 CZ TYR A 40 9.752 5.375 -2.846 1.00 0.00 C ATOM 539 OH TYR A 40 9.454 6.413 -1.986 1.00 0.00 O ATOM 0 H TYR A 40 13.267 3.569 -5.270 1.00 0.00 H new ATOM 0 HA TYR A 40 12.428 1.570 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.419 2.431 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.060 1.269 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.668 2.567 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.977 4.215 -5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.131 4.434 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.441 6.077 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 40 8.609 6.225 -1.527 1.00 0.00 H new ATOM 549 N GLY A 43 11.560 -0.453 -6.186 1.00 0.00 N ATOM 550 CA GLY A 43 11.752 -1.719 -6.948 1.00 0.00 C ATOM 551 C GLY A 43 10.603 -2.677 -6.629 1.00 0.00 C ATOM 552 O GLY A 43 9.630 -2.301 -6.007 1.00 0.00 O ATOM 0 H GLY A 43 10.721 -0.423 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.783 -1.512 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.706 -2.175 -6.684 1.00 0.00 H new ATOM 556 N LYS A 44 10.708 -3.913 -7.047 1.00 0.00 N ATOM 557 CA LYS A 44 9.629 -4.898 -6.761 1.00 0.00 C ATOM 558 C LYS A 44 9.152 -4.701 -5.328 1.00 0.00 C ATOM 559 O LYS A 44 9.945 -4.640 -4.410 1.00 0.00 O ATOM 560 CB LYS A 44 10.185 -6.315 -6.911 1.00 0.00 C ATOM 561 CG LYS A 44 9.372 -7.077 -7.957 1.00 0.00 C ATOM 562 CD LYS A 44 9.930 -6.787 -9.353 1.00 0.00 C ATOM 563 CE LYS A 44 8.888 -6.022 -10.172 1.00 0.00 C ATOM 564 NZ LYS A 44 8.092 -6.986 -10.984 1.00 0.00 N ATOM 0 H LYS A 44 11.499 -4.281 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 44 8.802 -4.753 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.233 -6.276 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.144 -6.836 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.411 -8.147 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.324 -6.781 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.847 -6.203 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.188 -7.720 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.231 -5.458 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.380 -5.300 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.383 -6.468 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.725 -7.505 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.612 -7.658 -10.352 1.00 0.00 H new ATOM 578 N LEU A 45 7.873 -4.586 -5.114 1.00 0.00 N ATOM 579 CA LEU A 45 7.396 -4.382 -3.733 1.00 0.00 C ATOM 580 C LEU A 45 6.687 -5.644 -3.253 1.00 0.00 C ATOM 581 O LEU A 45 5.482 -5.755 -3.315 1.00 0.00 O ATOM 582 CB LEU A 45 6.466 -3.182 -3.727 1.00 0.00 C ATOM 583 CG LEU A 45 7.188 -2.039 -4.442 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.288 -0.795 -4.520 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.476 -1.725 -3.667 1.00 0.00 C ATOM 0 H LEU A 45 7.149 -4.625 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 45 8.226 -4.189 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.530 -3.420 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.214 -2.897 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 45 7.430 -2.334 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.820 0.007 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.379 -1.037 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.026 -0.471 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.008 -0.911 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.225 -1.430 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.111 -2.611 -3.642 1.00 0.00 H new ATOM 597 N GLU A 46 7.439 -6.606 -2.785 1.00 0.00 N ATOM 598 CA GLU A 46 6.827 -7.885 -2.314 1.00 0.00 C ATOM 599 C GLU A 46 5.927 -7.619 -1.112 1.00 0.00 C ATOM 600 O GLU A 46 6.332 -7.766 0.023 1.00 0.00 O ATOM 601 CB GLU A 46 7.932 -8.864 -1.916 1.00 0.00 C ATOM 602 CG GLU A 46 7.996 -9.997 -2.940 1.00 0.00 C ATOM 603 CD GLU A 46 9.395 -10.053 -3.556 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.070 -9.037 -3.537 1.00 0.00 O ATOM 605 OE2 GLU A 46 9.767 -11.111 -4.037 1.00 0.00 O ATOM 0 H GLU A 46 8.455 -6.561 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 46 6.231 -8.314 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.891 -8.348 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.736 -9.267 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.760 -10.947 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.250 -9.839 -3.719 1.00 0.00 H new ATOM 612 N ALA A 47 4.708 -7.237 -1.353 1.00 0.00 N ATOM 613 CA ALA A 47 3.783 -6.960 -0.227 1.00 0.00 C ATOM 614 C ALA A 47 3.913 -8.044 0.830 1.00 0.00 C ATOM 615 O ALA A 47 3.747 -9.219 0.574 1.00 0.00 O ATOM 616 CB ALA A 47 2.353 -6.898 -0.742 1.00 0.00 C ATOM 0 H ALA A 47 4.312 -7.105 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 47 4.041 -6.001 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.676 -6.694 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.267 -6.104 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.089 -7.851 -1.200 1.00 0.00 H new ATOM 622 N VAL A 48 4.213 -7.635 2.022 1.00 0.00 N ATOM 623 CA VAL A 48 4.369 -8.591 3.140 1.00 0.00 C ATOM 624 C VAL A 48 3.086 -8.589 3.951 1.00 0.00 C ATOM 625 O VAL A 48 2.542 -9.624 4.282 1.00 0.00 O ATOM 626 CB VAL A 48 5.551 -8.115 4.001 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.276 -8.339 5.495 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.814 -8.873 3.596 1.00 0.00 C ATOM 0 H VAL A 48 4.360 -6.657 2.274 1.00 0.00 H new ATOM 0 HA VAL A 48 4.561 -9.603 2.782 1.00 0.00 H new ATOM 0 HB VAL A 48 5.687 -7.046 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.129 -7.993 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.386 -7.782 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.117 -9.401 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.652 -8.536 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.661 -9.942 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.031 -8.683 2.545 1.00 0.00 H new ATOM 638 N GLN A 49 2.606 -7.428 4.270 1.00 0.00 N ATOM 639 CA GLN A 49 1.353 -7.343 5.069 1.00 0.00 C ATOM 640 C GLN A 49 0.562 -6.127 4.612 1.00 0.00 C ATOM 641 O GLN A 49 1.033 -5.333 3.825 1.00 0.00 O ATOM 642 CB GLN A 49 1.693 -7.179 6.555 1.00 0.00 C ATOM 643 CG GLN A 49 2.472 -8.399 7.059 1.00 0.00 C ATOM 644 CD GLN A 49 1.575 -9.242 7.970 1.00 0.00 C ATOM 645 OE1 GLN A 49 0.606 -9.820 7.519 1.00 0.00 O ATOM 646 NE2 GLN A 49 1.861 -9.338 9.240 1.00 0.00 N ATOM 0 H GLN A 49 3.023 -6.533 4.015 1.00 0.00 H new ATOM 0 HA GLN A 49 0.771 -8.253 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.284 -6.275 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.777 -7.059 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.815 -8.998 6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.360 -8.077 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.675 -8.852 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.271 -9.899 9.855 1.00 0.00 H new ATOM 655 N TYR A 50 -0.635 -5.969 5.093 1.00 0.00 N ATOM 656 CA TYR A 50 -1.422 -4.794 4.675 1.00 0.00 C ATOM 657 C TYR A 50 -2.641 -4.606 5.568 1.00 0.00 C ATOM 658 O TYR A 50 -3.340 -5.543 5.907 1.00 0.00 O ATOM 659 CB TYR A 50 -1.870 -4.975 3.255 1.00 0.00 C ATOM 660 CG TYR A 50 -2.966 -6.010 3.175 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.664 -7.368 3.322 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.289 -5.608 2.951 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.684 -8.324 3.246 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.308 -6.563 2.876 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.005 -7.921 3.023 1.00 0.00 C ATOM 666 OH TYR A 50 -6.011 -8.861 2.948 1.00 0.00 O ATOM 0 H TYR A 50 -1.095 -6.598 5.751 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.792 -3.909 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.228 -4.026 2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.026 -5.282 2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.644 -7.679 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.522 -4.560 2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.451 -9.372 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.328 -6.252 2.705 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.868 -8.412 2.790 1.00 0.00 H new ATOM 676 N LYS A 51 -2.898 -3.393 5.938 1.00 0.00 N ATOM 677 CA LYS A 51 -4.084 -3.110 6.802 1.00 0.00 C ATOM 678 C LYS A 51 -5.121 -2.284 6.016 1.00 0.00 C ATOM 679 O LYS A 51 -4.789 -1.324 5.350 1.00 0.00 O ATOM 680 CB LYS A 51 -3.637 -2.346 8.049 1.00 0.00 C ATOM 681 CG LYS A 51 -3.198 -3.344 9.125 1.00 0.00 C ATOM 682 CD LYS A 51 -1.700 -3.183 9.398 1.00 0.00 C ATOM 683 CE LYS A 51 -1.242 -4.259 10.385 1.00 0.00 C ATOM 684 NZ LYS A 51 -1.109 -3.663 11.745 1.00 0.00 N ATOM 0 H LYS A 51 -2.342 -2.577 5.683 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.543 -4.051 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.815 -1.674 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.453 -1.727 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.764 -3.178 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.411 -4.362 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.139 -3.266 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.498 -2.192 9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.960 -5.079 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.288 -4.678 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.103 -3.611 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.517 -2.706 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.614 -4.255 12.435 1.00 0.00 H new ATOM 698 N THR A 52 -6.374 -2.664 6.085 1.00 0.00 N ATOM 699 CA THR A 52 -7.447 -1.922 5.343 1.00 0.00 C ATOM 700 C THR A 52 -7.795 -0.619 6.066 1.00 0.00 C ATOM 701 O THR A 52 -7.201 -0.266 7.065 1.00 0.00 O ATOM 702 CB THR A 52 -8.702 -2.796 5.263 1.00 0.00 C ATOM 703 OG1 THR A 52 -9.275 -2.917 6.558 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.331 -4.185 4.739 1.00 0.00 C ATOM 0 H THR A 52 -6.704 -3.462 6.627 1.00 0.00 H new ATOM 0 HA THR A 52 -7.084 -1.688 4.342 1.00 0.00 H new ATOM 0 HB THR A 52 -9.421 -2.335 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.079 -3.475 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.226 -4.804 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.891 -4.094 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.611 -4.648 5.414 1.00 0.00 H new ATOM 712 N GLN A 53 -8.764 0.096 5.557 1.00 0.00 N ATOM 713 CA GLN A 53 -9.173 1.383 6.190 1.00 0.00 C ATOM 714 C GLN A 53 -10.581 1.750 5.725 1.00 0.00 C ATOM 715 O GLN A 53 -10.981 1.431 4.623 1.00 0.00 O ATOM 716 CB GLN A 53 -8.223 2.490 5.752 1.00 0.00 C ATOM 717 CG GLN A 53 -7.388 2.966 6.934 1.00 0.00 C ATOM 718 CD GLN A 53 -8.307 3.301 8.112 1.00 0.00 C ATOM 719 OE1 GLN A 53 -8.403 2.464 9.109 1.00 0.00 O flip ATOM 720 NE2 GLN A 53 -8.942 4.336 8.125 1.00 0.00 N flip ATOM 0 H GLN A 53 -9.293 -0.159 4.723 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.148 1.272 7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.570 2.126 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.791 3.324 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.676 2.193 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.808 3.844 6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.867 4.990 7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.550 4.551 8.915 1.00 0.00 H new ATOM 729 N VAL A 54 -11.336 2.422 6.549 1.00 0.00 N ATOM 730 CA VAL A 54 -12.708 2.804 6.138 1.00 0.00 C ATOM 731 C VAL A 54 -12.875 4.335 6.166 1.00 0.00 C ATOM 732 O VAL A 54 -12.378 5.012 7.044 1.00 0.00 O ATOM 733 CB VAL A 54 -13.709 2.143 7.079 1.00 0.00 C ATOM 734 CG1 VAL A 54 -13.969 3.039 8.283 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.019 1.907 6.324 1.00 0.00 C ATOM 0 H VAL A 54 -11.060 2.720 7.485 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.888 2.466 5.118 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.304 1.194 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.685 2.556 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.035 3.209 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.373 3.993 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.742 1.434 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.415 2.861 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.834 1.257 5.468 1.00 0.00 H new ATOM 745 N VAL A 55 -13.587 4.869 5.213 1.00 0.00 N ATOM 746 CA VAL A 55 -13.822 6.342 5.165 1.00 0.00 C ATOM 747 C VAL A 55 -14.861 6.617 4.072 1.00 0.00 C ATOM 748 O VAL A 55 -16.037 6.365 4.245 1.00 0.00 O ATOM 749 CB VAL A 55 -12.512 7.069 4.841 1.00 0.00 C ATOM 750 CG1 VAL A 55 -11.748 7.367 6.133 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.650 6.185 3.938 1.00 0.00 C ATOM 0 H VAL A 55 -14.022 4.342 4.456 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.183 6.702 6.128 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.739 8.006 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.818 7.884 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.358 7.998 6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.522 6.432 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.718 6.701 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.429 5.248 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.188 5.975 3.013 1.00 0.00 H new ATOM 761 N ALA A 56 -14.432 7.089 2.932 1.00 0.00 N ATOM 762 CA ALA A 56 -15.379 7.331 1.814 1.00 0.00 C ATOM 763 C ALA A 56 -15.249 6.145 0.864 1.00 0.00 C ATOM 764 O ALA A 56 -15.397 6.256 -0.337 1.00 0.00 O ATOM 765 CB ALA A 56 -14.991 8.617 1.092 1.00 0.00 C ATOM 0 H ALA A 56 -13.459 7.318 2.730 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.403 7.433 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.685 8.797 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.031 9.453 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.979 8.522 0.698 1.00 0.00 H new ATOM 771 N GLY A 57 -14.931 5.018 1.427 1.00 0.00 N ATOM 772 CA GLY A 57 -14.724 3.775 0.638 1.00 0.00 C ATOM 773 C GLY A 57 -13.783 2.908 1.454 1.00 0.00 C ATOM 774 O GLY A 57 -14.076 2.548 2.577 1.00 0.00 O ATOM 0 H GLY A 57 -14.802 4.903 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.670 3.264 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.297 4.001 -0.339 1.00 0.00 H new ATOM 778 N THR A 58 -12.639 2.608 0.933 1.00 0.00 N ATOM 779 CA THR A 58 -11.674 1.802 1.740 1.00 0.00 C ATOM 780 C THR A 58 -10.246 2.075 1.285 1.00 0.00 C ATOM 781 O THR A 58 -9.869 1.778 0.170 1.00 0.00 O ATOM 782 CB THR A 58 -11.969 0.309 1.613 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.362 0.088 1.794 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.178 -0.444 2.691 1.00 0.00 C ATOM 0 H THR A 58 -12.324 2.876 0.000 1.00 0.00 H new ATOM 0 HA THR A 58 -11.785 2.095 2.784 1.00 0.00 H new ATOM 0 HB THR A 58 -11.676 -0.049 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.724 0.765 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.380 -1.512 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.112 -0.265 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.479 -0.091 3.677 1.00 0.00 H new ATOM 792 N ASN A 59 -9.440 2.621 2.153 1.00 0.00 N ATOM 793 CA ASN A 59 -8.043 2.895 1.804 1.00 0.00 C ATOM 794 C ASN A 59 -7.269 1.590 1.874 1.00 0.00 C ATOM 795 O ASN A 59 -7.833 0.517 1.961 1.00 0.00 O ATOM 796 CB ASN A 59 -7.492 3.867 2.839 1.00 0.00 C ATOM 797 CG ASN A 59 -7.960 5.291 2.541 1.00 0.00 C ATOM 798 OD1 ASN A 59 -7.852 5.762 1.426 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.480 5.999 3.510 1.00 0.00 N ATOM 0 H ASN A 59 -9.707 2.888 3.101 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.958 3.319 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.821 3.571 3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.403 3.829 2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.797 6.952 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.568 5.598 4.444 1.00 0.00 H new ATOM 806 N TYR A 60 -5.984 1.680 1.871 1.00 0.00 N ATOM 807 CA TYR A 60 -5.149 0.460 1.976 1.00 0.00 C ATOM 808 C TYR A 60 -3.889 0.814 2.727 1.00 0.00 C ATOM 809 O TYR A 60 -3.413 1.926 2.674 1.00 0.00 O ATOM 810 CB TYR A 60 -4.714 -0.061 0.604 1.00 0.00 C ATOM 811 CG TYR A 60 -5.896 -0.419 -0.246 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.527 0.568 -0.996 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.330 -1.747 -0.317 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.600 0.236 -1.821 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.409 -2.081 -1.136 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.043 -1.090 -1.892 1.00 0.00 C ATOM 817 OH TYR A 60 -9.102 -1.421 -2.710 1.00 0.00 O ATOM 0 H TYR A 60 -5.464 2.555 1.800 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.742 -0.305 2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.117 0.697 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.077 -0.936 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.186 1.591 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.831 -2.511 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.089 1.001 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.754 -3.103 -1.186 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.280 -2.382 -2.642 1.00 0.00 H new ATOM 827 N TYR A 61 -3.321 -0.143 3.367 1.00 0.00 N ATOM 828 CA TYR A 61 -2.049 0.068 4.081 1.00 0.00 C ATOM 829 C TYR A 61 -1.232 -1.153 3.745 1.00 0.00 C ATOM 830 O TYR A 61 -1.734 -2.253 3.780 1.00 0.00 O ATOM 831 CB TYR A 61 -2.276 0.145 5.593 1.00 0.00 C ATOM 832 CG TYR A 61 -2.988 1.428 5.962 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.847 2.576 5.170 1.00 0.00 C ATOM 834 CD2 TYR A 61 -3.784 1.467 7.112 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.506 3.760 5.531 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.438 2.650 7.474 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.300 3.797 6.683 1.00 0.00 C ATOM 838 OH TYR A 61 -4.943 4.963 7.042 1.00 0.00 O ATOM 0 H TYR A 61 -3.692 -1.091 3.430 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.564 1.001 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.865 -0.711 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.319 0.092 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.232 2.549 4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.894 0.582 7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.401 4.644 4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.049 2.678 8.364 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.592 5.279 7.901 1.00 0.00 H new ATOM 848 N ILE A 62 -0.012 -1.016 3.359 1.00 0.00 N ATOM 849 CA ILE A 62 0.713 -2.240 2.985 1.00 0.00 C ATOM 850 C ILE A 62 2.190 -2.102 3.287 1.00 0.00 C ATOM 851 O ILE A 62 2.859 -1.225 2.778 1.00 0.00 O ATOM 852 CB ILE A 62 0.562 -2.492 1.484 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.916 -2.537 1.060 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.212 -3.835 1.163 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.048 -2.045 -0.386 1.00 0.00 C ATOM 0 H ILE A 62 0.504 -0.139 3.286 1.00 0.00 H new ATOM 0 HA ILE A 62 0.295 -3.066 3.560 1.00 0.00 H new ATOM 0 HB ILE A 62 1.040 -1.676 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.299 -3.554 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.515 -1.913 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.118 -4.039 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.267 -3.803 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.716 -4.624 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.095 -2.077 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.681 -1.021 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.462 -2.687 -1.044 1.00 0.00 H new ATOM 867 N LYS A 63 2.726 -2.999 4.054 1.00 0.00 N ATOM 868 CA LYS A 63 4.178 -2.935 4.295 1.00 0.00 C ATOM 869 C LYS A 63 4.796 -3.894 3.284 1.00 0.00 C ATOM 870 O LYS A 63 4.826 -5.098 3.486 1.00 0.00 O ATOM 871 CB LYS A 63 4.541 -3.329 5.737 1.00 0.00 C ATOM 872 CG LYS A 63 3.855 -4.635 6.149 1.00 0.00 C ATOM 873 CD LYS A 63 3.924 -4.774 7.675 1.00 0.00 C ATOM 874 CE LYS A 63 5.257 -5.408 8.078 1.00 0.00 C ATOM 875 NZ LYS A 63 6.375 -4.501 7.690 1.00 0.00 N ATOM 0 H LYS A 63 2.229 -3.760 4.516 1.00 0.00 H new ATOM 0 HA LYS A 63 4.554 -1.919 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.622 -3.441 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.247 -2.531 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.817 -4.636 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.343 -5.484 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.820 -3.795 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.097 -5.388 8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.276 -5.588 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.374 -6.376 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.174 -4.637 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.678 -4.719 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.053 -3.513 7.738 1.00 0.00 H new ATOM 889 N VAL A 64 5.210 -3.371 2.157 1.00 0.00 N ATOM 890 CA VAL A 64 5.748 -4.216 1.077 1.00 0.00 C ATOM 891 C VAL A 64 7.271 -4.199 1.090 1.00 0.00 C ATOM 892 O VAL A 64 7.885 -3.191 1.350 1.00 0.00 O ATOM 893 CB VAL A 64 5.278 -3.610 -0.237 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.773 -3.810 -0.402 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.596 -2.113 -0.250 1.00 0.00 C ATOM 0 H VAL A 64 5.192 -2.373 1.947 1.00 0.00 H new ATOM 0 HA VAL A 64 5.408 -5.244 1.204 1.00 0.00 H new ATOM 0 HB VAL A 64 5.794 -4.104 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.449 -3.372 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.545 -4.876 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.249 -3.325 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.260 -1.678 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.084 -1.625 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.672 -1.969 -0.147 1.00 0.00 H new ATOM 905 N ARG A 65 7.892 -5.292 0.764 1.00 0.00 N ATOM 906 CA ARG A 65 9.373 -5.288 0.718 1.00 0.00 C ATOM 907 C ARG A 65 9.775 -4.427 -0.461 1.00 0.00 C ATOM 908 O ARG A 65 9.344 -4.644 -1.570 1.00 0.00 O ATOM 909 CB ARG A 65 9.915 -6.702 0.526 1.00 0.00 C ATOM 910 CG ARG A 65 9.078 -7.701 1.333 1.00 0.00 C ATOM 911 CD ARG A 65 9.926 -8.261 2.474 1.00 0.00 C ATOM 912 NE ARG A 65 11.180 -8.836 1.915 1.00 0.00 N ATOM 913 CZ ARG A 65 11.125 -9.877 1.131 1.00 0.00 C ATOM 914 NH1 ARG A 65 10.797 -9.733 -0.124 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.397 -11.062 1.601 1.00 0.00 N ATOM 0 H ARG A 65 7.444 -6.178 0.530 1.00 0.00 H new ATOM 0 HA ARG A 65 9.779 -4.902 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.893 -6.968 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.956 -6.747 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.189 -7.211 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.734 -8.510 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.161 -7.473 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.370 -9.027 3.014 1.00 0.00 H new ATOM 0 HE ARG A 65 12.081 -8.417 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.584 -8.806 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.754 -10.547 -0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.653 -11.175 2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.354 -11.876 0.988 1.00 0.00 H new ATOM 929 N ALA A 66 10.590 -3.452 -0.220 1.00 0.00 N ATOM 930 CA ALA A 66 11.033 -2.539 -1.303 1.00 0.00 C ATOM 931 C ALA A 66 12.239 -3.146 -1.995 1.00 0.00 C ATOM 932 O ALA A 66 13.240 -2.500 -2.231 1.00 0.00 O ATOM 933 CB ALA A 66 11.416 -1.204 -0.687 1.00 0.00 C ATOM 0 H ALA A 66 10.978 -3.242 0.700 1.00 0.00 H new ATOM 0 HA ALA A 66 10.233 -2.393 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.744 -0.522 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.553 -0.779 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.226 -1.352 0.027 1.00 0.00 H new ATOM 939 N GLY A 67 12.138 -4.392 -2.301 1.00 0.00 N ATOM 940 CA GLY A 67 13.265 -5.101 -2.966 1.00 0.00 C ATOM 941 C GLY A 67 14.293 -5.504 -1.908 1.00 0.00 C ATOM 942 O GLY A 67 14.277 -6.608 -1.400 1.00 0.00 O ATOM 0 H GLY A 67 11.315 -4.967 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.898 -5.984 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.727 -4.456 -3.713 1.00 0.00 H new ATOM 946 N ASP A 68 15.189 -4.617 -1.570 1.00 0.00 N ATOM 947 CA ASP A 68 16.213 -4.941 -0.551 1.00 0.00 C ATOM 948 C ASP A 68 15.597 -4.865 0.848 1.00 0.00 C ATOM 949 O ASP A 68 14.394 -4.775 1.006 1.00 0.00 O ATOM 950 CB ASP A 68 17.370 -3.945 -0.655 1.00 0.00 C ATOM 951 CG ASP A 68 18.212 -4.270 -1.888 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.855 -5.308 -1.884 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.202 -3.478 -2.815 1.00 0.00 O ATOM 0 H ASP A 68 15.251 -3.677 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 68 16.584 -5.951 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.984 -2.928 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.987 -3.992 0.243 1.00 0.00 H new ATOM 958 N ASN A 92 16.414 -4.900 1.865 1.00 0.00 N ATOM 959 CA ASN A 92 15.883 -4.828 3.256 1.00 0.00 C ATOM 960 C ASN A 92 15.031 -3.570 3.413 1.00 0.00 C ATOM 961 O ASN A 92 14.241 -3.454 4.329 1.00 0.00 O ATOM 962 CB ASN A 92 17.045 -4.777 4.247 1.00 0.00 C ATOM 963 CG ASN A 92 17.036 -6.038 5.110 1.00 0.00 C ATOM 964 OD1 ASN A 92 16.877 -7.131 4.606 1.00 0.00 O ATOM 965 ND2 ASN A 92 17.197 -5.933 6.401 1.00 0.00 N ATOM 0 H ASN A 92 17.429 -4.976 1.792 1.00 0.00 H new ATOM 0 HA ASN A 92 15.274 -5.710 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.991 -4.697 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.960 -3.892 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.189 -6.769 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 92 17.331 -5.015 6.825 1.00 0.00 H new ATOM 972 N LYS A 93 15.184 -2.623 2.528 1.00 0.00 N ATOM 973 CA LYS A 93 14.379 -1.375 2.632 1.00 0.00 C ATOM 974 C LYS A 93 12.922 -1.703 2.324 1.00 0.00 C ATOM 975 O LYS A 93 12.613 -2.294 1.310 1.00 0.00 O ATOM 976 CB LYS A 93 14.893 -0.354 1.618 1.00 0.00 C ATOM 977 CG LYS A 93 16.289 0.120 2.030 1.00 0.00 C ATOM 978 CD LYS A 93 17.319 -0.396 1.023 1.00 0.00 C ATOM 979 CE LYS A 93 18.686 -0.512 1.700 1.00 0.00 C ATOM 980 NZ LYS A 93 19.138 0.836 2.145 1.00 0.00 N ATOM 0 H LYS A 93 15.830 -2.660 1.740 1.00 0.00 H new ATOM 0 HA LYS A 93 14.463 -0.961 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.928 -0.799 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.211 0.495 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.318 1.209 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.528 -0.243 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.010 -1.367 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.380 0.281 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.624 -1.186 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.411 -0.940 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.145 0.797 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.003 1.520 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.582 1.133 2.972 1.00 0.00 H new ATOM 994 N TYR A 94 12.020 -1.339 3.193 1.00 0.00 N ATOM 995 CA TYR A 94 10.590 -1.652 2.940 1.00 0.00 C ATOM 996 C TYR A 94 9.883 -0.445 2.333 1.00 0.00 C ATOM 997 O TYR A 94 10.481 0.586 2.094 1.00 0.00 O ATOM 998 CB TYR A 94 9.916 -2.050 4.252 1.00 0.00 C ATOM 999 CG TYR A 94 10.193 -3.510 4.531 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.239 -4.167 3.865 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.407 -4.207 5.453 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.496 -5.515 4.123 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.664 -5.557 5.711 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.709 -6.212 5.048 1.00 0.00 C ATOM 1005 OH TYR A 94 10.962 -7.544 5.307 1.00 0.00 O ATOM 0 H TYR A 94 12.212 -0.841 4.062 1.00 0.00 H new ATOM 0 HA TYR A 94 10.525 -2.481 2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.291 -1.434 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 94 8.842 -1.877 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.846 -3.629 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.601 -3.703 5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.301 -6.020 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.056 -6.095 6.423 1.00 0.00 H new ATOM 0 HH TYR A 94 10.128 -8.054 5.240 1.00 0.00 H new ATOM 1015 N MET A 95 8.613 -0.571 2.074 1.00 0.00 N ATOM 1016 CA MET A 95 7.863 0.558 1.469 1.00 0.00 C ATOM 1017 C MET A 95 6.418 0.536 1.964 1.00 0.00 C ATOM 1018 O MET A 95 5.593 -0.206 1.467 1.00 0.00 O ATOM 1019 CB MET A 95 7.881 0.412 -0.054 1.00 0.00 C ATOM 1020 CG MET A 95 8.200 1.762 -0.700 1.00 0.00 C ATOM 1021 SD MET A 95 8.835 1.491 -2.372 1.00 0.00 S ATOM 1022 CE MET A 95 7.487 2.306 -3.263 1.00 0.00 C ATOM 0 H MET A 95 8.062 -1.410 2.256 1.00 0.00 H new ATOM 0 HA MET A 95 8.328 1.502 1.755 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.625 -0.328 -0.349 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.915 0.050 -0.405 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.304 2.382 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 95 8.936 2.299 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.631 2.179 -4.336 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.536 1.862 -2.969 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.481 3.369 -3.021 1.00 0.00 H new ATOM 1032 N HIS A 96 6.100 1.353 2.928 1.00 0.00 N ATOM 1033 CA HIS A 96 4.703 1.391 3.426 1.00 0.00 C ATOM 1034 C HIS A 96 3.848 2.051 2.364 1.00 0.00 C ATOM 1035 O HIS A 96 4.303 2.930 1.658 1.00 0.00 O ATOM 1036 CB HIS A 96 4.624 2.231 4.686 1.00 0.00 C ATOM 1037 CG HIS A 96 4.473 1.352 5.881 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.134 0.034 6.011 1.00 0.00 N flip ATOM 1039 CD2 HIS A 96 4.660 1.831 7.163 1.00 0.00 C flip ATOM 1040 CE1 HIS A 96 4.115 -0.306 7.360 1.00 0.00 C flip ATOM 1041 NE2 HIS A 96 4.427 0.822 8.009 1.00 0.00 N flip ATOM 0 H HIS A 96 6.746 1.993 3.390 1.00 0.00 H new ATOM 0 HA HIS A 96 4.362 0.379 3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.523 2.839 4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.780 2.918 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.943 2.838 7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.896 -1.272 7.791 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.481 0.902 9.024 1.00 0.00 H new ATOM 1049 N LEU A 97 2.624 1.654 2.230 1.00 0.00 N ATOM 1050 CA LEU A 97 1.789 2.289 1.186 1.00 0.00 C ATOM 1051 C LEU A 97 0.380 2.569 1.691 1.00 0.00 C ATOM 1052 O LEU A 97 -0.232 1.761 2.356 1.00 0.00 O ATOM 1053 CB LEU A 97 1.706 1.367 -0.016 1.00 0.00 C ATOM 1054 CG LEU A 97 1.319 2.193 -1.231 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.579 2.771 -1.874 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.590 1.300 -2.224 1.00 0.00 C ATOM 0 H LEU A 97 2.170 0.930 2.787 1.00 0.00 H new ATOM 0 HA LEU A 97 2.252 3.238 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.664 0.874 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.970 0.582 0.159 1.00 0.00 H new ATOM 0 HG LEU A 97 0.665 3.013 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.303 3.364 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.097 3.404 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.236 1.958 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.308 1.884 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.245 0.483 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.306 0.892 -1.756 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.146 3.706 1.337 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.530 4.062 1.740 1.00 0.00 C ATOM 1070 C LYS A 98 -2.324 4.348 0.460 1.00 0.00 C ATOM 1071 O LYS A 98 -2.286 5.440 -0.064 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.505 5.315 2.620 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.927 5.862 2.779 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.928 6.978 3.827 1.00 0.00 C ATOM 1075 CE LYS A 98 -3.004 8.338 3.130 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.423 8.785 3.063 1.00 0.00 N ATOM 0 H LYS A 98 0.332 4.413 0.778 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.987 3.249 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.085 5.077 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.861 6.073 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.290 6.244 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.604 5.063 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.775 6.856 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.025 6.920 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.406 9.070 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.586 8.267 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.474 9.709 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.981 8.090 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.807 8.868 4.026 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.015 3.373 -0.067 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.776 3.596 -1.334 1.00 0.00 C ATOM 1092 C VAL A 99 -5.242 3.902 -1.007 1.00 0.00 C ATOM 1093 O VAL A 99 -5.705 3.632 0.079 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.679 2.308 -2.182 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.909 2.144 -3.073 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.456 2.369 -3.091 1.00 0.00 C ATOM 0 H VAL A 99 -3.086 2.433 0.323 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.362 4.440 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.607 1.468 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.815 1.230 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.803 2.086 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.988 2.999 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.398 1.456 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.539 3.229 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.556 2.466 -2.484 1.00 0.00 H new ATOM 1106 N PHE A 100 -5.998 4.424 -1.947 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.436 4.673 -1.648 1.00 0.00 C ATOM 1108 C PHE A 100 -8.276 3.850 -2.618 1.00 0.00 C ATOM 1109 O PHE A 100 -7.966 3.758 -3.796 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.783 6.159 -1.795 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.215 6.398 -1.383 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.795 5.627 -0.371 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.960 7.399 -2.018 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.123 5.857 0.009 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.289 7.628 -1.639 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.869 6.858 -0.624 1.00 0.00 C ATOM 0 H PHE A 100 -5.687 4.681 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.643 4.383 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.114 6.760 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.636 6.475 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.219 4.855 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.511 7.994 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.572 5.262 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.866 8.398 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.893 7.036 -0.329 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.332 3.247 -2.133 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.196 2.432 -3.027 1.00 0.00 C ATOM 1128 C LYS A 101 -11.420 3.240 -3.403 1.00 0.00 C ATOM 1129 O LYS A 101 -12.048 3.872 -2.577 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.674 1.163 -2.329 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.383 0.268 -3.350 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.873 0.194 -3.016 1.00 0.00 C ATOM 1133 CE LYS A 101 -13.350 -1.254 -3.138 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.135 -1.962 -1.842 1.00 0.00 N ATOM 0 H LYS A 101 -9.629 3.286 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.610 2.161 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.829 0.635 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.352 1.415 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.244 0.665 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.947 -0.731 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.049 0.562 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.441 0.834 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.406 -1.278 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.807 -1.761 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.460 -2.946 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.123 -1.950 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.673 -1.483 -1.091 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.531 2.165 -8.121 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.073 2.676 -6.800 1.00 0.00 C ATOM 1259 C LEU A 108 -6.119 3.829 -6.985 1.00 0.00 C ATOM 1260 O LEU A 108 -5.894 4.319 -8.074 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.340 1.564 -6.058 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.338 0.556 -5.493 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.442 0.281 -6.513 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.592 -0.744 -5.180 1.00 0.00 C ATOM 0 HA LEU A 108 -7.943 3.009 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.648 1.061 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.744 1.988 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.793 0.957 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.148 -0.439 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.964 1.210 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.003 -0.124 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.291 -1.476 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.145 -1.136 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.809 -0.547 -4.448 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.591 4.281 -5.900 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.670 5.438 -5.948 1.00 0.00 C ATOM 1278 C VAL A 109 -3.610 5.328 -4.853 1.00 0.00 C ATOM 1279 O VAL A 109 -3.777 4.622 -3.883 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.515 6.656 -5.672 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.094 6.503 -4.288 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.672 7.929 -5.757 1.00 0.00 C ATOM 0 H VAL A 109 -5.757 3.898 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.164 5.486 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.310 6.740 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.713 7.369 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.703 5.600 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.285 6.429 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.301 8.796 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.869 7.883 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.244 8.016 -6.756 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.541 6.059 -4.985 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.492 6.055 -3.968 1.00 0.00 C ATOM 1294 C LEU A 110 -1.739 7.287 -3.088 1.00 0.00 C ATOM 1295 O LEU A 110 -1.276 8.373 -3.374 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.162 6.152 -4.708 1.00 0.00 C ATOM 1297 CG LEU A 110 0.903 6.718 -3.802 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.068 5.795 -2.605 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.204 6.800 -4.587 1.00 0.00 C ATOM 0 H LEU A 110 -2.359 6.670 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.485 5.162 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.138 5.165 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.274 6.785 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 110 0.627 7.712 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.836 6.193 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.123 5.726 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.364 4.804 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.989 7.207 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.490 5.803 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.067 7.448 -5.452 1.00 0.00 H new ATOM 1311 N THR A 111 -2.525 7.144 -2.055 1.00 0.00 N ATOM 1312 CA THR A 111 -2.846 8.330 -1.202 1.00 0.00 C ATOM 1313 C THR A 111 -1.735 8.604 -0.185 1.00 0.00 C ATOM 1314 O THR A 111 -1.713 9.644 0.443 1.00 0.00 O ATOM 1315 CB THR A 111 -4.162 8.091 -0.463 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.214 6.751 0.004 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.332 8.352 -1.413 1.00 0.00 C ATOM 0 H THR A 111 -2.956 6.267 -1.765 1.00 0.00 H new ATOM 0 HA THR A 111 -2.935 9.199 -1.854 1.00 0.00 H new ATOM 0 HB THR A 111 -4.227 8.768 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.303 6.404 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.272 8.182 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.293 9.384 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.266 7.677 -2.266 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.814 7.699 -0.008 1.00 0.00 N ATOM 1326 CA GLY A 112 0.276 7.948 0.981 1.00 0.00 C ATOM 1327 C GLY A 112 1.300 6.818 0.931 1.00 0.00 C ATOM 1328 O GLY A 112 1.292 6.001 0.034 1.00 0.00 O ATOM 0 H GLY A 112 -0.766 6.806 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.762 8.899 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.143 8.025 1.984 1.00 0.00 H new ATOM 1332 N TYR A 113 2.194 6.778 1.887 1.00 0.00 N ATOM 1333 CA TYR A 113 3.239 5.730 1.908 1.00 0.00 C ATOM 1334 C TYR A 113 4.342 6.137 2.886 1.00 0.00 C ATOM 1335 O TYR A 113 4.767 7.275 2.908 1.00 0.00 O ATOM 1336 CB TYR A 113 3.865 5.632 0.526 1.00 0.00 C ATOM 1337 CG TYR A 113 4.248 7.019 0.070 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.476 7.565 0.463 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.373 7.768 -0.725 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.828 8.858 0.062 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.726 9.059 -1.130 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.953 9.606 -0.734 1.00 0.00 C ATOM 1343 OH TYR A 113 5.298 10.883 -1.128 1.00 0.00 O ATOM 0 H TYR A 113 2.238 7.440 2.661 1.00 0.00 H new ATOM 0 HA TYR A 113 2.793 4.780 2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.743 4.987 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.162 5.184 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.152 6.987 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.424 7.349 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.775 9.279 0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.053 9.634 -1.748 1.00 0.00 H new ATOM 0 HH TYR A 113 4.580 11.261 -1.677 1.00 0.00 H new ATOM 1353 N GLN A 114 4.855 5.217 3.652 1.00 0.00 N ATOM 1354 CA GLN A 114 5.977 5.575 4.563 1.00 0.00 C ATOM 1355 C GLN A 114 7.246 5.053 3.902 1.00 0.00 C ATOM 1356 O GLN A 114 7.559 3.881 3.977 1.00 0.00 O ATOM 1357 CB GLN A 114 5.803 4.941 5.951 1.00 0.00 C ATOM 1358 CG GLN A 114 4.318 4.888 6.311 1.00 0.00 C ATOM 1359 CD GLN A 114 3.791 6.309 6.504 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.622 7.043 5.550 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.521 6.733 7.709 1.00 0.00 N ATOM 0 H GLN A 114 4.551 4.244 3.688 1.00 0.00 H new ATOM 0 HA GLN A 114 6.013 6.653 4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.225 3.936 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.347 5.520 6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.759 4.385 5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.174 4.308 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.663 6.117 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.168 7.680 7.849 1.00 0.00 H new ATOM 1370 N VAL A 115 7.955 5.900 3.216 1.00 0.00 N ATOM 1371 CA VAL A 115 9.166 5.446 2.506 1.00 0.00 C ATOM 1372 C VAL A 115 10.234 5.020 3.501 1.00 0.00 C ATOM 1373 O VAL A 115 10.165 5.311 4.678 1.00 0.00 O ATOM 1374 CB VAL A 115 9.670 6.588 1.637 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.514 7.536 2.469 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.502 6.025 0.498 1.00 0.00 C ATOM 0 H VAL A 115 7.742 6.893 3.119 1.00 0.00 H new ATOM 0 HA VAL A 115 8.930 4.584 1.881 1.00 0.00 H new ATOM 0 HB VAL A 115 8.820 7.135 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.872 8.352 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.911 7.942 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.366 6.997 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.864 6.842 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.351 5.475 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 115 9.889 5.353 -0.103 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.218 4.325 3.026 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.304 3.863 3.931 1.00 0.00 C ATOM 1388 C ASP A 115A 11.707 3.324 5.241 1.00 0.00 C ATOM 1389 O ASP A 115A 12.363 3.303 6.263 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.231 5.040 4.242 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.565 4.513 4.777 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.840 3.342 4.578 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.288 5.291 5.375 1.00 0.00 O ATOM 0 H ASP A 115A 11.322 4.054 2.048 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.864 3.066 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.397 5.633 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.767 5.698 4.977 1.00 0.00 H new ATOM 1398 N LYS A 116 10.473 2.875 5.227 1.00 0.00 N ATOM 1399 CA LYS A 116 9.872 2.336 6.480 1.00 0.00 C ATOM 1400 C LYS A 116 10.570 1.013 6.818 1.00 0.00 C ATOM 1401 O LYS A 116 11.104 0.345 5.955 1.00 0.00 O ATOM 1402 CB LYS A 116 8.350 2.124 6.284 1.00 0.00 C ATOM 1403 CG LYS A 116 7.884 0.832 6.967 1.00 0.00 C ATOM 1404 CD LYS A 116 8.240 -0.370 6.088 1.00 0.00 C ATOM 1405 CE LYS A 116 6.997 -1.230 5.866 1.00 0.00 C ATOM 1406 NZ LYS A 116 6.583 -1.142 4.436 1.00 0.00 N ATOM 0 H LYS A 116 9.865 2.860 4.408 1.00 0.00 H new ATOM 0 HA LYS A 116 10.009 3.038 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.805 2.974 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.119 2.081 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.357 0.734 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.808 0.866 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.634 -0.029 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.023 -0.961 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.206 -2.266 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.187 -0.892 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 5.631 -0.727 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.256 -0.543 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.572 -2.094 4.018 1.00 0.00 H new ATOM 1420 N ASN A 117 10.569 0.630 8.065 1.00 0.00 N ATOM 1421 CA ASN A 117 11.233 -0.648 8.448 1.00 0.00 C ATOM 1422 C ASN A 117 10.168 -1.691 8.794 1.00 0.00 C ATOM 1423 O ASN A 117 8.986 -1.457 8.645 1.00 0.00 O ATOM 1424 CB ASN A 117 12.136 -0.414 9.661 1.00 0.00 C ATOM 1425 CG ASN A 117 12.812 0.952 9.540 1.00 0.00 C ATOM 1426 OD1 ASN A 117 12.866 1.523 8.469 1.00 0.00 O ATOM 1427 ND2 ASN A 117 13.339 1.500 10.600 1.00 0.00 N ATOM 0 H ASN A 117 10.139 1.145 8.833 1.00 0.00 H new ATOM 0 HA ASN A 117 11.836 -1.008 7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.549 -0.461 10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.889 -1.200 9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.797 2.409 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.293 1.020 11.499 1.00 0.00 H new ATOM 1434 N LYS A 118 10.576 -2.844 9.251 1.00 0.00 N ATOM 1435 CA LYS A 118 9.587 -3.903 9.601 1.00 0.00 C ATOM 1436 C LYS A 118 8.814 -3.496 10.858 1.00 0.00 C ATOM 1437 O LYS A 118 7.627 -3.728 10.971 1.00 0.00 O ATOM 1438 CB LYS A 118 10.323 -5.218 9.865 1.00 0.00 C ATOM 1439 CG LYS A 118 9.416 -6.394 9.492 1.00 0.00 C ATOM 1440 CD LYS A 118 9.273 -7.329 10.695 1.00 0.00 C ATOM 1441 CE LYS A 118 8.456 -8.558 10.294 1.00 0.00 C ATOM 1442 NZ LYS A 118 9.311 -9.487 9.504 1.00 0.00 N ATOM 0 H LYS A 118 11.553 -3.098 9.397 1.00 0.00 H new ATOM 0 HA LYS A 118 8.889 -4.030 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.243 -5.255 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.608 -5.283 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.437 -6.028 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.835 -6.936 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.257 -7.634 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.784 -6.807 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.078 -9.062 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.589 -8.256 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.822 -10.398 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.498 -9.075 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.212 -9.638 10.002 1.00 0.00 H new ATOM 1456 N ASP A 119 9.477 -2.896 11.809 1.00 0.00 N ATOM 1457 CA ASP A 119 8.777 -2.486 13.060 1.00 0.00 C ATOM 1458 C ASP A 119 7.750 -1.397 12.751 1.00 0.00 C ATOM 1459 O ASP A 119 6.965 -1.017 13.597 1.00 0.00 O ATOM 1460 CB ASP A 119 9.797 -1.949 14.064 1.00 0.00 C ATOM 1461 CG ASP A 119 9.067 -1.444 15.311 1.00 0.00 C ATOM 1462 OD1 ASP A 119 8.598 -0.318 15.284 1.00 0.00 O ATOM 1463 OD2 ASP A 119 8.989 -2.193 16.271 1.00 0.00 O ATOM 0 H ASP A 119 10.472 -2.672 11.774 1.00 0.00 H new ATOM 0 HA ASP A 119 8.267 -3.352 13.482 1.00 0.00 H new ATOM 0 HB2 ASP A 119 10.504 -2.733 14.336 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.375 -1.141 13.615 1.00 0.00 H new ATOM 1468 N ASP A 120 7.744 -0.887 11.550 1.00 0.00 N ATOM 1469 CA ASP A 120 6.763 0.177 11.209 1.00 0.00 C ATOM 1470 C ASP A 120 5.379 -0.438 11.025 1.00 0.00 C ATOM 1471 O ASP A 120 5.007 -0.844 9.942 1.00 0.00 O ATOM 1472 CB ASP A 120 7.181 0.877 9.916 1.00 0.00 C ATOM 1473 CG ASP A 120 6.840 2.366 10.006 1.00 0.00 C ATOM 1474 OD1 ASP A 120 6.514 2.813 11.093 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.912 3.032 8.987 1.00 0.00 O ATOM 0 H ASP A 120 8.373 -1.160 10.795 1.00 0.00 H new ATOM 0 HA ASP A 120 6.734 0.904 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.250 0.748 9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.670 0.427 9.065 1.00 0.00 H new ATOM 1480 N GLU A 121 4.606 -0.496 12.070 1.00 0.00 N ATOM 1481 CA GLU A 121 3.239 -1.062 11.946 1.00 0.00 C ATOM 1482 C GLU A 121 2.439 -0.148 11.012 1.00 0.00 C ATOM 1483 O GLU A 121 2.747 1.019 10.872 1.00 0.00 O ATOM 1484 CB GLU A 121 2.598 -1.118 13.344 1.00 0.00 C ATOM 1485 CG GLU A 121 1.083 -0.901 13.258 1.00 0.00 C ATOM 1486 CD GLU A 121 0.495 -0.850 14.669 1.00 0.00 C ATOM 1487 OE1 GLU A 121 1.264 -0.921 15.613 1.00 0.00 O ATOM 1488 OE2 GLU A 121 -0.715 -0.739 14.781 1.00 0.00 O ATOM 0 H GLU A 121 4.862 -0.176 13.004 1.00 0.00 H new ATOM 0 HA GLU A 121 3.258 -2.072 11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.806 -2.083 13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.043 -0.356 13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.867 0.027 12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 121 0.621 -1.708 12.689 1.00 0.00 H new ATOM 1495 N LEU A 122 1.424 -0.654 10.364 1.00 0.00 N ATOM 1496 CA LEU A 122 0.641 0.222 9.449 1.00 0.00 C ATOM 1497 C LEU A 122 -0.497 0.874 10.218 1.00 0.00 C ATOM 1498 O LEU A 122 -1.658 0.786 9.871 1.00 0.00 O ATOM 1499 CB LEU A 122 0.129 -0.580 8.263 1.00 0.00 C ATOM 1500 CG LEU A 122 1.312 -0.763 7.320 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.605 -2.238 7.136 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.034 -0.147 5.957 1.00 0.00 C ATOM 0 H LEU A 122 1.107 -1.622 10.427 1.00 0.00 H new ATOM 0 HA LEU A 122 1.284 1.011 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.262 -1.545 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.687 -0.057 7.764 1.00 0.00 H new ATOM 0 HG LEU A 122 2.170 -0.260 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.452 -2.359 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.844 -2.685 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.730 -2.733 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.897 -0.295 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.160 -0.625 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.845 0.920 6.072 1.00 0.00 H new ATOM 1514 N THR A 123 -0.120 1.539 11.264 1.00 0.00 N ATOM 1515 CA THR A 123 -1.075 2.272 12.147 1.00 0.00 C ATOM 1516 C THR A 123 -2.052 3.109 11.299 1.00 0.00 C ATOM 1517 O THR A 123 -2.073 3.023 10.087 1.00 0.00 O ATOM 1518 CB THR A 123 -0.238 3.200 13.062 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.956 4.392 13.356 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.080 3.566 12.362 1.00 0.00 C ATOM 0 H THR A 123 0.853 1.611 11.561 1.00 0.00 H new ATOM 0 HA THR A 123 -1.663 1.571 12.740 1.00 0.00 H new ATOM 0 HB THR A 123 -0.030 2.671 13.992 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.414 4.966 13.936 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.666 4.219 13.009 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.646 2.658 12.154 1.00 0.00 H new ATOM 0 HG23 THR A 123 0.864 4.081 11.426 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.851 3.934 11.932 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.825 4.799 11.182 1.00 0.00 C ATOM 1530 C GLY A 124 -3.150 5.444 9.977 1.00 0.00 C ATOM 1531 O GLY A 124 -3.804 5.935 9.077 1.00 0.00 O ATOM 0 H GLY A 124 -2.872 4.048 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.674 4.200 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.218 5.572 11.843 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.853 5.439 9.952 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.116 6.041 8.807 1.00 0.00 C ATOM 1537 C PHE A 125 -1.832 5.662 7.504 1.00 0.00 C ATOM 1538 O PHE A 125 -2.539 6.502 6.970 1.00 0.00 O ATOM 1539 CB PHE A 125 0.331 5.505 8.810 1.00 0.00 C ATOM 1540 CG PHE A 125 0.796 5.214 7.398 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.803 6.235 6.444 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.197 3.919 7.043 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.214 5.966 5.135 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.605 3.649 5.731 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.613 4.678 4.776 1.00 0.00 C ATOM 1546 OXT PHE A 125 -1.656 4.538 7.068 1.00 0.00 O ATOM 0 H PHE A 125 -1.262 5.040 10.682 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.090 7.127 8.892 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.994 6.236 9.273 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.387 4.597 9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.491 7.232 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.191 3.130 7.781 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.223 6.757 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.913 2.651 5.454 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.928 4.473 3.764 1.00 0.00 H new