USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 13 LYS NZ :NH3+ -163:sc= -1.82 (180deg=-2.64) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -137:sc= -0.0504 (180deg=-1.28) USER MOD Set 2.1: A 31 SER OG : rot 180:sc=-0.00995 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -136:sc= -4.19! (180deg=-6.8!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 110:sc= -1.51 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 73:sc= 0.946 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 48 GLN : amide:sc= -0.221 K(o=-0.22,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00864 USER MOD Single : A 66 TYR OH : rot 80:sc= 0.548 USER MOD Single : A 67 SER OG : rot -55:sc= 0.139 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 114:sc= 0.361 USER MOD Single : A 75 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.592 -13.931 4.793 1.00 0.00 N ATOM 60 CA GLY A 7 5.419 -12.911 3.775 1.00 0.00 C ATOM 61 C GLY A 7 6.520 -11.869 3.806 1.00 0.00 C ATOM 62 O GLY A 7 7.679 -12.188 4.070 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.397 -13.383 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.455 -12.421 3.916 1.00 0.00 H new ATOM 66 N MET A 8 6.157 -10.620 3.535 1.00 0.00 N ATOM 67 CA MET A 8 7.123 -9.527 3.532 1.00 0.00 C ATOM 68 C MET A 8 6.570 -8.311 4.269 1.00 0.00 C ATOM 69 O MET A 8 5.361 -8.189 4.461 1.00 0.00 O ATOM 70 CB MET A 8 7.490 -9.146 2.097 1.00 0.00 C ATOM 71 CG MET A 8 6.478 -8.226 1.435 1.00 0.00 C ATOM 72 SD MET A 8 6.831 -7.945 -0.311 1.00 0.00 S ATOM 73 CE MET A 8 5.277 -7.248 -0.863 1.00 0.00 C ATOM 0 H MET A 8 5.201 -10.339 3.315 1.00 0.00 H new ATOM 0 HA MET A 8 8.020 -9.866 4.050 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.465 -8.660 2.097 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.587 -10.054 1.502 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.482 -8.656 1.535 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.466 -7.270 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.993 -7.699 -1.814 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.504 -7.449 -0.121 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.386 -6.171 -0.991 1.00 0.00 H new ATOM 83 N GLN A 9 7.464 -7.416 4.678 1.00 0.00 N ATOM 84 CA GLN A 9 7.064 -6.210 5.394 1.00 0.00 C ATOM 85 C GLN A 9 7.071 -4.999 4.467 1.00 0.00 C ATOM 86 O GLN A 9 8.008 -4.803 3.692 1.00 0.00 O ATOM 87 CB GLN A 9 7.995 -5.964 6.581 1.00 0.00 C ATOM 88 CG GLN A 9 7.428 -5.001 7.611 1.00 0.00 C ATOM 89 CD GLN A 9 8.297 -4.889 8.848 1.00 0.00 C ATOM 90 OE1 GLN A 9 8.127 -5.639 9.810 1.00 0.00 O ATOM 91 NE2 GLN A 9 9.235 -3.950 8.830 1.00 0.00 N ATOM 0 H GLN A 9 8.469 -7.503 4.526 1.00 0.00 H new ATOM 0 HA GLN A 9 6.049 -6.356 5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.210 -6.916 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.943 -5.572 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.318 -4.015 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.431 -5.332 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.341 -3.350 8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.850 -3.828 9.635 1.00 0.00 H new ATOM 100 N LEU A 10 6.021 -4.190 4.551 1.00 0.00 N ATOM 101 CA LEU A 10 5.906 -2.997 3.719 1.00 0.00 C ATOM 102 C LEU A 10 5.616 -1.765 4.571 1.00 0.00 C ATOM 103 O LEU A 10 4.804 -1.812 5.495 1.00 0.00 O ATOM 104 CB LEU A 10 4.801 -3.182 2.678 1.00 0.00 C ATOM 105 CG LEU A 10 5.003 -4.323 1.680 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.727 -4.574 0.891 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.160 -4.012 0.742 1.00 0.00 C ATOM 0 H LEU A 10 5.237 -4.338 5.187 1.00 0.00 H new ATOM 0 HA LEU A 10 6.857 -2.847 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.860 -3.347 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.696 -2.252 2.120 1.00 0.00 H new ATOM 0 HG LEU A 10 5.246 -5.228 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.890 -5.389 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.922 -4.842 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.453 -3.671 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.289 -4.835 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.947 -3.095 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.074 -3.883 1.322 1.00 0.00 H new ATOM 119 N THR A 11 6.286 -0.661 4.253 1.00 0.00 N ATOM 120 CA THR A 11 6.100 0.584 4.988 1.00 0.00 C ATOM 121 C THR A 11 5.467 1.653 4.106 1.00 0.00 C ATOM 122 O THR A 11 6.073 2.114 3.139 1.00 0.00 O ATOM 123 CB THR A 11 7.436 1.115 5.540 1.00 0.00 C ATOM 124 OG1 THR A 11 8.221 0.031 6.049 1.00 0.00 O ATOM 125 CG2 THR A 11 7.199 2.137 6.641 1.00 0.00 C ATOM 0 H THR A 11 6.962 -0.604 3.491 1.00 0.00 H new ATOM 0 HA THR A 11 5.433 0.363 5.821 1.00 0.00 H new ATOM 0 HB THR A 11 7.973 1.601 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.070 0.377 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.157 2.498 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.626 2.975 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.643 1.672 7.455 1.00 0.00 H new ATOM 133 N VAL A 12 4.243 2.046 4.446 1.00 0.00 N ATOM 134 CA VAL A 12 3.528 3.064 3.685 1.00 0.00 C ATOM 135 C VAL A 12 3.815 4.459 4.228 1.00 0.00 C ATOM 136 O VAL A 12 3.518 4.761 5.384 1.00 0.00 O ATOM 137 CB VAL A 12 2.007 2.818 3.710 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.268 3.979 3.064 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.668 1.507 3.017 1.00 0.00 C ATOM 0 H VAL A 12 3.726 1.675 5.243 1.00 0.00 H new ATOM 0 HA VAL A 12 3.883 2.998 2.656 1.00 0.00 H new ATOM 0 HB VAL A 12 1.685 2.747 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.195 3.788 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.486 4.898 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.592 4.085 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.590 1.349 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.003 1.546 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.168 0.685 3.529 1.00 0.00 H new ATOM 149 N LYS A 13 4.395 5.308 3.387 1.00 0.00 N ATOM 150 CA LYS A 13 4.722 6.673 3.780 1.00 0.00 C ATOM 151 C LYS A 13 3.839 7.677 3.046 1.00 0.00 C ATOM 152 O LYS A 13 3.802 7.702 1.816 1.00 0.00 O ATOM 153 CB LYS A 13 6.196 6.969 3.494 1.00 0.00 C ATOM 154 CG LYS A 13 6.723 8.194 4.221 1.00 0.00 C ATOM 155 CD LYS A 13 7.269 7.837 5.593 1.00 0.00 C ATOM 156 CE LYS A 13 8.748 7.487 5.530 1.00 0.00 C ATOM 157 NZ LYS A 13 8.977 6.155 4.904 1.00 0.00 N ATOM 0 H LYS A 13 4.649 5.074 2.427 1.00 0.00 H new ATOM 0 HA LYS A 13 4.540 6.770 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.794 6.103 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.328 7.109 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.508 8.661 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.924 8.928 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.121 8.675 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.711 6.993 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.278 8.251 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.165 7.492 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.936 5.824 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.280 5.475 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.874 6.234 3.872 1.00 0.00 H new ATOM 171 N ALA A 14 3.131 8.504 3.808 1.00 0.00 N ATOM 172 CA ALA A 14 2.252 9.512 3.230 1.00 0.00 C ATOM 173 C ALA A 14 3.031 10.766 2.849 1.00 0.00 C ATOM 174 O ALA A 14 4.080 11.057 3.425 1.00 0.00 O ATOM 175 CB ALA A 14 1.133 9.857 4.202 1.00 0.00 C ATOM 0 H ALA A 14 3.149 8.495 4.828 1.00 0.00 H new ATOM 0 HA ALA A 14 1.814 9.099 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.484 10.611 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.552 8.961 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.561 10.246 5.126 1.00 0.00 H new ATOM 224 N ARG A 18 2.030 11.215 7.695 1.00 0.00 N ATOM 225 CA ARG A 18 2.116 10.057 8.577 1.00 0.00 C ATOM 226 C ARG A 18 2.556 8.817 7.805 1.00 0.00 C ATOM 227 O ARG A 18 2.657 8.841 6.579 1.00 0.00 O ATOM 228 CB ARG A 18 0.765 9.801 9.248 1.00 0.00 C ATOM 229 CG ARG A 18 0.418 10.815 10.326 1.00 0.00 C ATOM 230 CD ARG A 18 0.991 10.412 11.675 1.00 0.00 C ATOM 231 NE ARG A 18 0.395 9.177 12.177 1.00 0.00 N ATOM 232 CZ ARG A 18 0.470 8.787 13.444 1.00 0.00 C ATOM 233 NH1 ARG A 18 1.111 9.532 14.334 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.099 7.650 13.824 1.00 0.00 N ATOM 0 HA ARG A 18 2.861 10.269 9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.016 9.810 8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.770 8.804 9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.804 11.794 10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.665 10.909 10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.070 10.284 11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.823 11.214 12.394 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.106 8.581 11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.548 10.407 14.046 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.167 9.230 15.307 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.594 7.075 13.143 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.041 7.351 14.797 1.00 0.00 H new ATOM 248 N GLU A 19 2.818 7.736 8.533 1.00 0.00 N ATOM 249 CA GLU A 19 3.249 6.487 7.916 1.00 0.00 C ATOM 250 C GLU A 19 2.811 5.287 8.751 1.00 0.00 C ATOM 251 O GLU A 19 2.259 5.445 9.841 1.00 0.00 O ATOM 252 CB GLU A 19 4.769 6.475 7.745 1.00 0.00 C ATOM 253 CG GLU A 19 5.530 6.525 9.059 1.00 0.00 C ATOM 254 CD GLU A 19 6.911 5.906 8.958 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.018 4.781 8.427 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.883 6.546 9.409 1.00 0.00 O ATOM 0 H GLU A 19 2.739 7.700 9.549 1.00 0.00 H new ATOM 0 HA GLU A 19 2.779 6.416 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.058 5.575 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.064 7.326 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.624 7.562 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.958 6.004 9.826 1.00 0.00 H new ATOM 263 N CYS A 20 3.059 4.090 8.232 1.00 0.00 N ATOM 264 CA CYS A 20 2.689 2.863 8.929 1.00 0.00 C ATOM 265 C CYS A 20 3.203 1.637 8.181 1.00 0.00 C ATOM 266 O CYS A 20 3.234 1.616 6.950 1.00 0.00 O ATOM 267 CB CYS A 20 1.170 2.780 9.087 1.00 0.00 C ATOM 268 SG CYS A 20 0.267 2.731 7.522 1.00 0.00 S ATOM 0 H CYS A 20 3.515 3.943 7.331 1.00 0.00 H new ATOM 0 HA CYS A 20 3.149 2.882 9.917 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.924 1.889 9.664 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.828 3.639 9.665 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.247 1.549 7.355 1.00 0.00 H new ATOM 274 N SER A 21 3.607 0.618 8.932 1.00 0.00 N ATOM 275 CA SER A 21 4.125 -0.610 8.341 1.00 0.00 C ATOM 276 C SER A 21 3.166 -1.773 8.577 1.00 0.00 C ATOM 277 O SER A 21 2.398 -1.774 9.540 1.00 0.00 O ATOM 278 CB SER A 21 5.500 -0.941 8.923 1.00 0.00 C ATOM 279 OG SER A 21 5.440 -1.069 10.333 1.00 0.00 O ATOM 0 H SER A 21 3.586 0.618 9.952 1.00 0.00 H new ATOM 0 HA SER A 21 4.222 -0.454 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.870 -1.869 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.210 -0.158 8.656 1.00 0.00 H new ATOM 0 HG SER A 21 6.331 -1.282 10.680 1.00 0.00 H new ATOM 285 N LEU A 22 3.217 -2.762 7.692 1.00 0.00 N ATOM 286 CA LEU A 22 2.354 -3.933 7.802 1.00 0.00 C ATOM 287 C LEU A 22 3.035 -5.169 7.224 1.00 0.00 C ATOM 288 O LEU A 22 3.989 -5.059 6.454 1.00 0.00 O ATOM 289 CB LEU A 22 1.028 -3.684 7.082 1.00 0.00 C ATOM 290 CG LEU A 22 -0.084 -3.054 7.921 1.00 0.00 C ATOM 291 CD1 LEU A 22 -1.022 -2.240 7.042 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.855 -4.126 8.677 1.00 0.00 C ATOM 0 H LEU A 22 3.847 -2.777 6.890 1.00 0.00 H new ATOM 0 HA LEU A 22 2.158 -4.110 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.219 -3.038 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.666 -4.635 6.691 1.00 0.00 H new ATOM 0 HG LEU A 22 0.373 -2.383 8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.807 -1.800 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.461 -1.447 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.472 -2.889 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.642 -3.659 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.300 -4.823 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.176 -4.665 9.338 1.00 0.00 H new ATOM 304 N GLN A 23 2.537 -6.343 7.598 1.00 0.00 N ATOM 305 CA GLN A 23 3.098 -7.599 7.114 1.00 0.00 C ATOM 306 C GLN A 23 2.149 -8.276 6.131 1.00 0.00 C ATOM 307 O GLN A 23 1.068 -8.730 6.508 1.00 0.00 O ATOM 308 CB GLN A 23 3.391 -8.536 8.287 1.00 0.00 C ATOM 309 CG GLN A 23 2.143 -8.999 9.022 1.00 0.00 C ATOM 310 CD GLN A 23 2.446 -9.525 10.411 1.00 0.00 C ATOM 311 OE1 GLN A 23 2.287 -10.715 10.686 1.00 0.00 O ATOM 312 NE2 GLN A 23 2.886 -8.639 11.297 1.00 0.00 N ATOM 0 H GLN A 23 1.747 -6.451 8.234 1.00 0.00 H new ATOM 0 HA GLN A 23 4.030 -7.376 6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.930 -9.409 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.050 -8.028 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.441 -8.169 9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.652 -9.780 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.003 -7.663 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.107 -8.935 12.248 1.00 0.00 H new ATOM 321 N VAL A 24 2.559 -8.341 4.869 1.00 0.00 N ATOM 322 CA VAL A 24 1.745 -8.963 3.831 1.00 0.00 C ATOM 323 C VAL A 24 2.607 -9.773 2.869 1.00 0.00 C ATOM 324 O VAL A 24 3.789 -9.493 2.669 1.00 0.00 O ATOM 325 CB VAL A 24 0.953 -7.911 3.033 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.101 -7.256 3.912 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.893 -6.870 2.446 1.00 0.00 C ATOM 0 H VAL A 24 3.451 -7.970 4.540 1.00 0.00 H new ATOM 0 HA VAL A 24 1.044 -9.629 4.334 1.00 0.00 H new ATOM 0 HB VAL A 24 0.444 -8.412 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.650 -6.515 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.792 -8.015 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.383 -6.767 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.317 -6.134 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.432 -6.371 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.605 -7.357 1.780 1.00 0.00 H new ATOM 337 N PRO A 25 2.003 -10.802 2.256 1.00 0.00 N ATOM 338 CA PRO A 25 2.696 -11.674 1.303 1.00 0.00 C ATOM 339 C PRO A 25 3.022 -10.960 -0.004 1.00 0.00 C ATOM 340 O PRO A 25 2.252 -10.122 -0.473 1.00 0.00 O ATOM 341 CB PRO A 25 1.692 -12.803 1.060 1.00 0.00 C ATOM 342 CG PRO A 25 0.362 -12.197 1.351 1.00 0.00 C ATOM 343 CD PRO A 25 0.596 -11.194 2.447 1.00 0.00 C ATOM 0 HA PRO A 25 3.657 -12.016 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.745 -13.166 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.890 -13.655 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.051 -11.717 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.354 -12.957 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.075 -10.339 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.430 -11.630 3.432 1.00 0.00 H new ATOM 351 N GLU A 26 4.167 -11.297 -0.588 1.00 0.00 N ATOM 352 CA GLU A 26 4.594 -10.687 -1.842 1.00 0.00 C ATOM 353 C GLU A 26 3.588 -10.968 -2.954 1.00 0.00 C ATOM 354 O GLU A 26 3.625 -10.341 -4.013 1.00 0.00 O ATOM 355 CB GLU A 26 5.975 -11.208 -2.244 1.00 0.00 C ATOM 356 CG GLU A 26 6.032 -12.717 -2.408 1.00 0.00 C ATOM 357 CD GLU A 26 7.281 -13.179 -3.133 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.620 -12.578 -4.174 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.921 -14.141 -2.659 1.00 0.00 O ATOM 0 H GLU A 26 4.816 -11.989 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 26 4.651 -9.609 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.273 -10.738 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.702 -10.905 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.992 -13.187 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.153 -13.052 -2.958 1.00 0.00 H new ATOM 366 N ASP A 27 2.691 -11.916 -2.706 1.00 0.00 N ATOM 367 CA ASP A 27 1.674 -12.281 -3.685 1.00 0.00 C ATOM 368 C ASP A 27 0.289 -11.839 -3.222 1.00 0.00 C ATOM 369 O ASP A 27 -0.717 -12.456 -3.568 1.00 0.00 O ATOM 370 CB ASP A 27 1.687 -13.792 -3.926 1.00 0.00 C ATOM 371 CG ASP A 27 1.552 -14.584 -2.641 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.485 -14.496 -1.998 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.514 -15.293 -2.279 1.00 0.00 O ATOM 0 H ASP A 27 2.648 -12.446 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 27 1.905 -11.769 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.872 -14.057 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.616 -14.070 -4.425 1.00 0.00 H new ATOM 378 N GLU A 28 0.248 -10.769 -2.435 1.00 0.00 N ATOM 379 CA GLU A 28 -1.014 -10.246 -1.923 1.00 0.00 C ATOM 380 C GLU A 28 -1.746 -9.444 -2.994 1.00 0.00 C ATOM 381 O GLU A 28 -1.166 -9.082 -4.019 1.00 0.00 O ATOM 382 CB GLU A 28 -0.766 -9.369 -0.693 1.00 0.00 C ATOM 383 CG GLU A 28 -1.976 -9.243 0.218 1.00 0.00 C ATOM 384 CD GLU A 28 -2.662 -10.573 0.464 1.00 0.00 C ATOM 385 OE1 GLU A 28 -3.570 -10.926 -0.316 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.289 -11.261 1.438 1.00 0.00 O ATOM 0 H GLU A 28 1.073 -10.247 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.639 -11.092 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.066 -9.783 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.463 -8.375 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.665 -8.817 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.689 -8.547 -0.225 1.00 0.00 H new ATOM 393 N LEU A 29 -3.022 -9.170 -2.751 1.00 0.00 N ATOM 394 CA LEU A 29 -3.835 -8.410 -3.694 1.00 0.00 C ATOM 395 C LEU A 29 -3.874 -6.933 -3.315 1.00 0.00 C ATOM 396 O LEU A 29 -4.261 -6.577 -2.202 1.00 0.00 O ATOM 397 CB LEU A 29 -5.257 -8.973 -3.741 1.00 0.00 C ATOM 398 CG LEU A 29 -5.374 -10.486 -3.932 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.825 -10.927 -3.824 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.787 -10.901 -5.274 1.00 0.00 C ATOM 0 H LEU A 29 -3.517 -9.463 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.381 -8.501 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.764 -8.704 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.794 -8.482 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.807 -10.978 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.889 -12.006 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.213 -10.664 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.415 -10.427 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.879 -11.981 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.327 -10.400 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.735 -10.620 -5.313 1.00 0.00 H new ATOM 412 N VAL A 30 -3.471 -6.077 -4.249 1.00 0.00 N ATOM 413 CA VAL A 30 -3.462 -4.638 -4.014 1.00 0.00 C ATOM 414 C VAL A 30 -4.745 -4.186 -3.325 1.00 0.00 C ATOM 415 O VAL A 30 -4.750 -3.205 -2.582 1.00 0.00 O ATOM 416 CB VAL A 30 -3.296 -3.856 -5.330 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.271 -2.359 -5.062 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.034 -4.297 -6.056 1.00 0.00 C ATOM 0 H VAL A 30 -3.147 -6.355 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.611 -4.428 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.151 -4.072 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.153 -1.823 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.205 -2.059 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.437 -2.121 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.932 -3.734 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.166 -4.112 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.098 -5.361 -6.282 1.00 0.00 H new ATOM 428 N SER A 31 -5.832 -4.908 -3.577 1.00 0.00 N ATOM 429 CA SER A 31 -7.123 -4.580 -2.983 1.00 0.00 C ATOM 430 C SER A 31 -7.094 -4.787 -1.472 1.00 0.00 C ATOM 431 O SER A 31 -7.652 -3.993 -0.714 1.00 0.00 O ATOM 432 CB SER A 31 -8.227 -5.436 -3.606 1.00 0.00 C ATOM 433 OG SER A 31 -8.059 -6.804 -3.276 1.00 0.00 O ATOM 0 H SER A 31 -5.845 -5.724 -4.189 1.00 0.00 H new ATOM 0 HA SER A 31 -7.331 -3.529 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.200 -5.091 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.217 -5.316 -4.689 1.00 0.00 H new ATOM 0 HG SER A 31 -8.778 -7.330 -3.685 1.00 0.00 H new ATOM 439 N THR A 32 -6.440 -5.860 -1.040 1.00 0.00 N ATOM 440 CA THR A 32 -6.339 -6.174 0.380 1.00 0.00 C ATOM 441 C THR A 32 -5.170 -5.438 1.023 1.00 0.00 C ATOM 442 O THR A 32 -5.172 -5.182 2.228 1.00 0.00 O ATOM 443 CB THR A 32 -6.167 -7.688 0.610 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.188 -8.409 -0.089 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.229 -8.020 2.093 1.00 0.00 C ATOM 0 H THR A 32 -5.972 -6.527 -1.653 1.00 0.00 H new ATOM 0 HA THR A 32 -7.270 -5.847 0.843 1.00 0.00 H new ATOM 0 HB THR A 32 -5.189 -7.983 0.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.071 -9.370 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.105 -9.094 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.432 -7.493 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.194 -7.711 2.495 1.00 0.00 H new ATOM 453 N LEU A 33 -4.173 -5.098 0.214 1.00 0.00 N ATOM 454 CA LEU A 33 -2.997 -4.389 0.705 1.00 0.00 C ATOM 455 C LEU A 33 -3.349 -2.958 1.101 1.00 0.00 C ATOM 456 O LEU A 33 -2.652 -2.334 1.901 1.00 0.00 O ATOM 457 CB LEU A 33 -1.900 -4.380 -0.362 1.00 0.00 C ATOM 458 CG LEU A 33 -1.207 -5.717 -0.623 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.566 -5.726 -2.002 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.167 -5.998 0.452 1.00 0.00 C ATOM 0 H LEU A 33 -4.156 -5.302 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.631 -4.911 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.335 -4.030 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.143 -3.652 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.958 -6.506 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.077 -6.686 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.333 -5.572 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.173 -4.927 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.316 -6.954 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.581 -5.206 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.653 -6.036 1.427 1.00 0.00 H new ATOM 472 N LYS A 34 -4.436 -2.444 0.536 1.00 0.00 N ATOM 473 CA LYS A 34 -4.884 -1.089 0.832 1.00 0.00 C ATOM 474 C LYS A 34 -5.789 -1.070 2.060 1.00 0.00 C ATOM 475 O LYS A 34 -5.656 -0.207 2.926 1.00 0.00 O ATOM 476 CB LYS A 34 -5.627 -0.501 -0.371 1.00 0.00 C ATOM 477 CG LYS A 34 -4.717 -0.155 -1.537 1.00 0.00 C ATOM 478 CD LYS A 34 -5.471 -0.171 -2.856 1.00 0.00 C ATOM 479 CE LYS A 34 -4.758 0.655 -3.916 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.554 0.754 -5.170 1.00 0.00 N ATOM 0 H LYS A 34 -5.023 -2.946 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.004 -0.481 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.379 -1.215 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.158 0.397 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.280 0.831 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.892 -0.866 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.576 -1.199 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.478 0.219 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.565 1.655 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.789 0.206 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.034 1.324 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.716 -0.199 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.468 1.205 -4.966 1.00 0.00 H new ATOM 494 N GLN A 35 -6.707 -2.029 2.127 1.00 0.00 N ATOM 495 CA GLN A 35 -7.633 -2.122 3.249 1.00 0.00 C ATOM 496 C GLN A 35 -6.878 -2.230 4.570 1.00 0.00 C ATOM 497 O GLN A 35 -7.278 -1.641 5.576 1.00 0.00 O ATOM 498 CB GLN A 35 -8.558 -3.329 3.077 1.00 0.00 C ATOM 499 CG GLN A 35 -9.611 -3.138 1.998 1.00 0.00 C ATOM 500 CD GLN A 35 -10.622 -4.267 1.964 1.00 0.00 C ATOM 501 OE1 GLN A 35 -11.292 -4.546 2.958 1.00 0.00 O ATOM 502 NE2 GLN A 35 -10.738 -4.925 0.816 1.00 0.00 N ATOM 0 H GLN A 35 -6.829 -2.752 1.418 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.234 -1.213 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.957 -4.206 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.054 -3.534 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.131 -2.195 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.122 -3.064 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.163 -4.661 0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.402 -5.695 0.734 1.00 0.00 H new ATOM 511 N LEU A 36 -5.785 -2.985 4.561 1.00 0.00 N ATOM 512 CA LEU A 36 -4.973 -3.171 5.759 1.00 0.00 C ATOM 513 C LEU A 36 -4.488 -1.830 6.301 1.00 0.00 C ATOM 514 O LEU A 36 -4.475 -1.606 7.511 1.00 0.00 O ATOM 515 CB LEU A 36 -3.777 -4.073 5.453 1.00 0.00 C ATOM 516 CG LEU A 36 -4.098 -5.541 5.169 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.999 -6.175 4.331 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.288 -6.306 6.470 1.00 0.00 C ATOM 0 H LEU A 36 -5.440 -3.478 3.737 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.593 -3.646 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.250 -3.664 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.089 -4.029 6.297 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.029 -5.587 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.245 -7.219 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.911 -5.643 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.053 -6.118 4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.516 -7.349 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.374 -6.252 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.111 -5.867 7.034 1.00 0.00 H new ATOM 530 N VAL A 37 -4.092 -0.940 5.397 1.00 0.00 N ATOM 531 CA VAL A 37 -3.609 0.380 5.784 1.00 0.00 C ATOM 532 C VAL A 37 -4.757 1.271 6.245 1.00 0.00 C ATOM 533 O VAL A 37 -4.604 2.069 7.170 1.00 0.00 O ATOM 534 CB VAL A 37 -2.872 1.071 4.621 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.360 2.438 5.050 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.731 0.198 4.120 1.00 0.00 C ATOM 0 H VAL A 37 -4.096 -1.109 4.391 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.912 0.233 6.609 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.576 1.214 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.842 2.911 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.200 3.062 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.670 2.322 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.221 0.701 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.025 0.021 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.128 -0.755 3.771 1.00 0.00 H new ATOM 546 N SER A 38 -5.907 1.130 5.593 1.00 0.00 N ATOM 547 CA SER A 38 -7.081 1.925 5.934 1.00 0.00 C ATOM 548 C SER A 38 -7.357 1.871 7.433 1.00 0.00 C ATOM 549 O SER A 38 -7.624 2.894 8.063 1.00 0.00 O ATOM 550 CB SER A 38 -8.303 1.426 5.160 1.00 0.00 C ATOM 551 OG SER A 38 -9.500 1.695 5.869 1.00 0.00 O ATOM 0 H SER A 38 -6.051 0.473 4.826 1.00 0.00 H new ATOM 0 HA SER A 38 -6.882 2.960 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.340 1.907 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.214 0.354 4.985 1.00 0.00 H new ATOM 0 HG SER A 38 -9.692 2.655 5.834 1.00 0.00 H new ATOM 557 N GLU A 39 -7.291 0.669 7.998 1.00 0.00 N ATOM 558 CA GLU A 39 -7.535 0.481 9.423 1.00 0.00 C ATOM 559 C GLU A 39 -6.401 1.077 10.253 1.00 0.00 C ATOM 560 O GLU A 39 -6.611 1.530 11.378 1.00 0.00 O ATOM 561 CB GLU A 39 -7.688 -1.007 9.745 1.00 0.00 C ATOM 562 CG GLU A 39 -9.042 -1.578 9.356 1.00 0.00 C ATOM 563 CD GLU A 39 -10.150 -1.141 10.295 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.519 0.051 10.265 1.00 0.00 O ATOM 565 OE2 GLU A 39 -10.649 -1.994 11.060 1.00 0.00 O ATOM 0 H GLU A 39 -7.071 -0.188 7.491 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.460 0.998 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.906 -1.564 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.533 -1.157 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.286 -1.265 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.985 -2.666 9.349 1.00 0.00 H new ATOM 572 N LYS A 40 -5.198 1.074 9.689 1.00 0.00 N ATOM 573 CA LYS A 40 -4.030 1.614 10.373 1.00 0.00 C ATOM 574 C LYS A 40 -4.140 3.128 10.525 1.00 0.00 C ATOM 575 O LYS A 40 -3.982 3.666 11.622 1.00 0.00 O ATOM 576 CB LYS A 40 -2.754 1.259 9.606 1.00 0.00 C ATOM 577 CG LYS A 40 -2.164 -0.085 9.997 1.00 0.00 C ATOM 578 CD LYS A 40 -1.325 0.020 11.259 1.00 0.00 C ATOM 579 CE LYS A 40 -0.840 -1.346 11.721 1.00 0.00 C ATOM 580 NZ LYS A 40 0.294 -1.236 12.680 1.00 0.00 N ATOM 0 H LYS A 40 -5.007 0.703 8.758 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.984 1.169 11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.971 1.254 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.009 2.037 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.968 -0.805 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.549 -0.465 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.468 0.668 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.913 0.485 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.663 -1.884 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.529 -1.933 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.596 -2.188 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.089 -0.745 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.010 -0.698 13.517 1.00 0.00 H new ATOM 594 N LEU A 41 -4.414 3.810 9.418 1.00 0.00 N ATOM 595 CA LEU A 41 -4.547 5.263 9.428 1.00 0.00 C ATOM 596 C LEU A 41 -6.016 5.675 9.454 1.00 0.00 C ATOM 597 O LEU A 41 -6.349 6.835 9.218 1.00 0.00 O ATOM 598 CB LEU A 41 -3.858 5.867 8.203 1.00 0.00 C ATOM 599 CG LEU A 41 -2.334 5.752 8.166 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.796 6.214 6.821 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.711 6.557 9.297 1.00 0.00 C ATOM 0 H LEU A 41 -4.548 3.380 8.503 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.066 5.641 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.260 5.387 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.124 6.922 8.145 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.065 4.705 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.710 6.125 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.216 5.594 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.076 7.254 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.626 6.464 9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.989 7.606 9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.071 6.179 10.254 1.00 0.00 H new ATOM 613 N ASN A 42 -6.889 4.716 9.745 1.00 0.00 N ATOM 614 CA ASN A 42 -8.322 4.980 9.804 1.00 0.00 C ATOM 615 C ASN A 42 -8.779 5.776 8.585 1.00 0.00 C ATOM 616 O ASN A 42 -9.622 6.667 8.693 1.00 0.00 O ATOM 617 CB ASN A 42 -8.670 5.741 11.084 1.00 0.00 C ATOM 618 CG ASN A 42 -8.033 5.124 12.315 1.00 0.00 C ATOM 619 OD1 ASN A 42 -7.087 5.673 12.879 1.00 0.00 O ATOM 620 ND2 ASN A 42 -8.551 3.976 12.736 1.00 0.00 N ATOM 0 H ASN A 42 -6.629 3.750 9.943 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.843 4.022 9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.342 6.776 10.989 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.753 5.760 11.209 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.164 3.513 13.559 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.336 3.557 12.237 1.00 0.00 H new ATOM 627 N VAL A 43 -8.217 5.448 7.426 1.00 0.00 N ATOM 628 CA VAL A 43 -8.568 6.131 6.186 1.00 0.00 C ATOM 629 C VAL A 43 -9.205 5.169 5.190 1.00 0.00 C ATOM 630 O VAL A 43 -8.777 4.026 5.032 1.00 0.00 O ATOM 631 CB VAL A 43 -7.333 6.782 5.536 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.702 7.414 4.202 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.719 7.813 6.472 1.00 0.00 C ATOM 0 H VAL A 43 -7.517 4.714 7.320 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.286 6.909 6.445 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.591 6.006 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.817 7.869 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.091 6.648 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.463 8.179 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.847 8.263 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.453 8.588 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.416 7.327 7.400 1.00 0.00 H new ATOM 643 N PRO A 44 -10.255 5.641 4.501 1.00 0.00 N ATOM 644 CA PRO A 44 -10.974 4.838 3.506 1.00 0.00 C ATOM 645 C PRO A 44 -10.141 4.584 2.255 1.00 0.00 C ATOM 646 O PRO A 44 -9.422 5.466 1.785 1.00 0.00 O ATOM 647 CB PRO A 44 -12.194 5.700 3.171 1.00 0.00 C ATOM 648 CG PRO A 44 -11.768 7.095 3.476 1.00 0.00 C ATOM 649 CD PRO A 44 -10.820 6.993 4.638 1.00 0.00 C ATOM 0 HA PRO A 44 -11.226 3.847 3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.479 5.593 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.059 5.411 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.281 7.552 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.626 7.719 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.045 7.758 4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.336 7.118 5.590 1.00 0.00 H new ATOM 657 N VAL A 45 -10.243 3.372 1.718 1.00 0.00 N ATOM 658 CA VAL A 45 -9.500 3.002 0.519 1.00 0.00 C ATOM 659 C VAL A 45 -9.938 3.837 -0.679 1.00 0.00 C ATOM 660 O VAL A 45 -9.166 4.054 -1.613 1.00 0.00 O ATOM 661 CB VAL A 45 -9.682 1.510 0.184 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.700 1.081 -0.895 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.517 0.660 1.435 1.00 0.00 C ATOM 0 H VAL A 45 -10.833 2.630 2.094 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.448 3.195 0.727 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.692 1.362 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.844 0.024 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.871 1.669 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.681 1.242 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.649 -0.392 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.520 0.811 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.264 0.951 2.174 1.00 0.00 H new ATOM 673 N ARG A 46 -11.182 4.304 -0.644 1.00 0.00 N ATOM 674 CA ARG A 46 -11.723 5.116 -1.727 1.00 0.00 C ATOM 675 C ARG A 46 -11.010 6.463 -1.807 1.00 0.00 C ATOM 676 O ARG A 46 -11.231 7.238 -2.736 1.00 0.00 O ATOM 677 CB ARG A 46 -13.225 5.333 -1.529 1.00 0.00 C ATOM 678 CG ARG A 46 -13.593 5.801 -0.131 1.00 0.00 C ATOM 679 CD ARG A 46 -14.854 6.651 -0.142 1.00 0.00 C ATOM 680 NE ARG A 46 -15.081 7.310 1.141 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.204 7.948 1.452 1.00 0.00 C ATOM 682 NH1 ARG A 46 -17.198 8.010 0.576 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.335 8.523 2.640 1.00 0.00 N ATOM 0 H ARG A 46 -11.834 4.134 0.122 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.560 4.582 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.576 6.068 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.749 4.401 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.741 4.936 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.769 6.377 0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.777 7.403 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.712 6.024 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.336 7.279 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.101 7.567 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.060 8.500 0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.573 8.476 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.198 9.013 2.877 1.00 0.00 H new ATOM 697 N GLN A 47 -10.155 6.732 -0.826 1.00 0.00 N ATOM 698 CA GLN A 47 -9.411 7.985 -0.785 1.00 0.00 C ATOM 699 C GLN A 47 -7.915 7.736 -0.951 1.00 0.00 C ATOM 700 O GLN A 47 -7.331 8.077 -1.978 1.00 0.00 O ATOM 701 CB GLN A 47 -9.675 8.717 0.532 1.00 0.00 C ATOM 702 CG GLN A 47 -10.907 9.607 0.497 1.00 0.00 C ATOM 703 CD GLN A 47 -10.831 10.748 1.492 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.026 10.555 2.693 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.547 11.947 0.997 1.00 0.00 N ATOM 0 H GLN A 47 -9.960 6.100 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.751 8.607 -1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.790 7.983 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.805 9.325 0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.029 10.013 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.791 9.005 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.393 12.062 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.483 12.753 1.619 1.00 0.00 H new ATOM 714 N GLN A 48 -7.303 7.140 0.067 1.00 0.00 N ATOM 715 CA GLN A 48 -5.875 6.846 0.034 1.00 0.00 C ATOM 716 C GLN A 48 -5.498 6.126 -1.257 1.00 0.00 C ATOM 717 O GLN A 48 -6.222 5.246 -1.722 1.00 0.00 O ATOM 718 CB GLN A 48 -5.480 5.995 1.241 1.00 0.00 C ATOM 719 CG GLN A 48 -6.160 4.636 1.277 1.00 0.00 C ATOM 720 CD GLN A 48 -5.809 3.840 2.518 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.180 4.355 3.443 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.215 2.576 2.545 1.00 0.00 N ATOM 0 H GLN A 48 -7.773 6.851 0.925 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.334 7.791 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.400 5.851 1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.725 6.538 2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.240 4.773 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.874 4.067 0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.734 2.190 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.008 1.991 3.355 1.00 0.00 H new ATOM 731 N ARG A 49 -4.361 6.507 -1.830 1.00 0.00 N ATOM 732 CA ARG A 49 -3.888 5.898 -3.068 1.00 0.00 C ATOM 733 C ARG A 49 -2.431 5.466 -2.939 1.00 0.00 C ATOM 734 O ARG A 49 -1.576 6.245 -2.514 1.00 0.00 O ATOM 735 CB ARG A 49 -4.040 6.878 -4.233 1.00 0.00 C ATOM 736 CG ARG A 49 -3.706 6.271 -5.586 1.00 0.00 C ATOM 737 CD ARG A 49 -4.107 7.196 -6.725 1.00 0.00 C ATOM 738 NE ARG A 49 -5.483 6.968 -7.157 1.00 0.00 N ATOM 739 CZ ARG A 49 -5.905 5.830 -7.697 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.061 4.821 -7.869 1.00 0.00 N ATOM 741 NH2 ARG A 49 -7.173 5.698 -8.065 1.00 0.00 N ATOM 0 H ARG A 49 -3.750 7.234 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.495 5.014 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.065 7.249 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.393 7.738 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.637 6.067 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.219 5.315 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.994 8.232 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.433 7.046 -7.568 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.157 7.724 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.086 4.918 -7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.387 3.948 -8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.825 6.471 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.495 4.824 -8.479 1.00 0.00 H new ATOM 755 N LEU A 50 -2.153 4.221 -3.308 1.00 0.00 N ATOM 756 CA LEU A 50 -0.799 3.684 -3.234 1.00 0.00 C ATOM 757 C LEU A 50 -0.009 4.022 -4.494 1.00 0.00 C ATOM 758 O LEU A 50 -0.571 4.111 -5.587 1.00 0.00 O ATOM 759 CB LEU A 50 -0.840 2.168 -3.035 1.00 0.00 C ATOM 760 CG LEU A 50 -1.349 1.682 -1.678 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.395 0.163 -1.637 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.474 2.222 -0.556 1.00 0.00 C ATOM 0 H LEU A 50 -2.848 3.564 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.299 4.143 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.470 1.737 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.165 1.775 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.362 2.059 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.760 -0.164 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.064 -0.202 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.394 -0.236 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.851 1.866 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.550 1.876 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.494 3.312 -0.572 1.00 0.00 H new ATOM 774 N LEU A 51 1.296 4.208 -4.336 1.00 0.00 N ATOM 775 CA LEU A 51 2.165 4.534 -5.462 1.00 0.00 C ATOM 776 C LEU A 51 3.553 3.931 -5.272 1.00 0.00 C ATOM 777 O LEU A 51 4.116 3.976 -4.178 1.00 0.00 O ATOM 778 CB LEU A 51 2.273 6.051 -5.625 1.00 0.00 C ATOM 779 CG LEU A 51 1.055 6.750 -6.229 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.146 8.254 -6.023 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.929 6.419 -7.709 1.00 0.00 C ATOM 0 H LEU A 51 1.777 4.139 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 51 1.725 4.108 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.469 6.488 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.139 6.268 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 51 0.162 6.388 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.270 8.735 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.186 8.473 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.047 8.634 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.057 6.925 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.824 6.752 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.816 5.342 -7.833 1.00 0.00 H new ATOM 793 N PHE A 52 4.100 3.368 -6.344 1.00 0.00 N ATOM 794 CA PHE A 52 5.423 2.757 -6.296 1.00 0.00 C ATOM 795 C PHE A 52 6.312 3.296 -7.412 1.00 0.00 C ATOM 796 O PHE A 52 6.112 2.985 -8.587 1.00 0.00 O ATOM 797 CB PHE A 52 5.309 1.235 -6.409 1.00 0.00 C ATOM 798 CG PHE A 52 6.606 0.517 -6.164 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.973 0.140 -4.883 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.458 0.220 -7.216 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.166 -0.520 -4.655 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.652 -0.440 -6.994 1.00 0.00 C ATOM 803 CZ PHE A 52 9.006 -0.811 -5.712 1.00 0.00 C ATOM 0 H PHE A 52 3.647 3.322 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 52 5.879 3.011 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.566 0.880 -5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.943 0.979 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.320 0.364 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.186 0.508 -8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.441 -0.808 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.307 -0.665 -7.822 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.938 -1.328 -5.536 1.00 0.00 H new ATOM 813 N LYS A 53 7.296 4.107 -7.038 1.00 0.00 N ATOM 814 CA LYS A 53 8.218 4.690 -8.005 1.00 0.00 C ATOM 815 C LYS A 53 7.460 5.445 -9.092 1.00 0.00 C ATOM 816 O LYS A 53 7.862 5.448 -10.255 1.00 0.00 O ATOM 817 CB LYS A 53 9.085 3.598 -8.637 1.00 0.00 C ATOM 818 CG LYS A 53 9.980 2.881 -7.642 1.00 0.00 C ATOM 819 CD LYS A 53 10.850 1.839 -8.325 1.00 0.00 C ATOM 820 CE LYS A 53 11.712 1.087 -7.322 1.00 0.00 C ATOM 821 NZ LYS A 53 12.506 0.008 -7.971 1.00 0.00 N ATOM 0 H LYS A 53 7.475 4.376 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 53 8.860 5.395 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.438 2.868 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.705 4.043 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.613 3.607 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.367 2.401 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.218 1.133 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.489 2.324 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.386 1.786 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.076 0.655 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.080 -0.480 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.862 -0.673 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.131 0.422 -8.691 1.00 0.00 H new ATOM 835 N GLY A 54 6.361 6.086 -8.705 1.00 0.00 N ATOM 836 CA GLY A 54 5.565 6.836 -9.659 1.00 0.00 C ATOM 837 C GLY A 54 4.658 5.946 -10.485 1.00 0.00 C ATOM 838 O GLY A 54 4.158 6.357 -11.532 1.00 0.00 O ATOM 0 H GLY A 54 6.008 6.099 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.961 7.570 -9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.227 7.391 -10.323 1.00 0.00 H new ATOM 842 N LYS A 55 4.444 4.722 -10.014 1.00 0.00 N ATOM 843 CA LYS A 55 3.591 3.770 -10.715 1.00 0.00 C ATOM 844 C LYS A 55 2.266 3.585 -9.983 1.00 0.00 C ATOM 845 O LYS A 55 2.241 3.303 -8.786 1.00 0.00 O ATOM 846 CB LYS A 55 4.302 2.422 -10.853 1.00 0.00 C ATOM 847 CG LYS A 55 3.737 1.546 -11.958 1.00 0.00 C ATOM 848 CD LYS A 55 4.789 0.601 -12.513 1.00 0.00 C ATOM 849 CE LYS A 55 4.237 -0.239 -13.654 1.00 0.00 C ATOM 850 NZ LYS A 55 4.152 0.536 -14.923 1.00 0.00 N ATOM 0 H LYS A 55 4.850 4.366 -9.149 1.00 0.00 H new ATOM 0 HA LYS A 55 3.385 4.168 -11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.361 2.597 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.234 1.887 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.896 0.970 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.351 2.175 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.646 1.175 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.147 -0.053 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.873 -1.111 -13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.247 -0.608 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.771 -0.072 -15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.525 1.355 -14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.101 0.867 -15.192 1.00 0.00 H new ATOM 864 N ALA A 56 1.165 3.745 -10.711 1.00 0.00 N ATOM 865 CA ALA A 56 -0.163 3.593 -10.131 1.00 0.00 C ATOM 866 C ALA A 56 -0.589 2.128 -10.112 1.00 0.00 C ATOM 867 O ALA A 56 -0.740 1.501 -11.162 1.00 0.00 O ATOM 868 CB ALA A 56 -1.175 4.428 -10.902 1.00 0.00 C ATOM 0 H ALA A 56 1.167 3.980 -11.704 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.125 3.948 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.163 4.305 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.887 5.478 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.201 4.100 -11.941 1.00 0.00 H new ATOM 874 N LEU A 57 -0.780 1.589 -8.914 1.00 0.00 N ATOM 875 CA LEU A 57 -1.188 0.197 -8.758 1.00 0.00 C ATOM 876 C LEU A 57 -2.683 0.035 -9.018 1.00 0.00 C ATOM 877 O LEU A 57 -3.485 0.887 -8.638 1.00 0.00 O ATOM 878 CB LEU A 57 -0.847 -0.301 -7.353 1.00 0.00 C ATOM 879 CG LEU A 57 0.490 0.170 -6.780 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.851 -0.630 -5.538 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.589 0.056 -7.827 1.00 0.00 C ATOM 0 H LEU A 57 -0.659 2.094 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.644 -0.399 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.641 0.013 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.851 -1.391 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 57 0.392 1.218 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.806 -0.280 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.077 -0.498 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.930 -1.686 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.533 0.396 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.685 -0.983 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.336 0.674 -8.689 1.00 0.00 H new ATOM 893 N ALA A 58 -3.049 -1.066 -9.667 1.00 0.00 N ATOM 894 CA ALA A 58 -4.447 -1.342 -9.974 1.00 0.00 C ATOM 895 C ALA A 58 -5.027 -2.373 -9.012 1.00 0.00 C ATOM 896 O ALA A 58 -4.515 -3.486 -8.897 1.00 0.00 O ATOM 897 CB ALA A 58 -4.587 -1.820 -11.411 1.00 0.00 C ATOM 0 H ALA A 58 -2.397 -1.781 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.009 -0.416 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.636 -2.022 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.220 -1.049 -12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.006 -2.732 -11.549 1.00 0.00 H new ATOM 903 N ASP A 59 -6.098 -1.995 -8.322 1.00 0.00 N ATOM 904 CA ASP A 59 -6.748 -2.887 -7.370 1.00 0.00 C ATOM 905 C ASP A 59 -7.072 -4.230 -8.017 1.00 0.00 C ATOM 906 O ASP A 59 -7.719 -4.287 -9.062 1.00 0.00 O ATOM 907 CB ASP A 59 -8.027 -2.246 -6.829 1.00 0.00 C ATOM 908 CG ASP A 59 -8.854 -1.594 -7.919 1.00 0.00 C ATOM 909 OD1 ASP A 59 -8.846 -2.108 -9.057 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.508 -0.569 -7.635 1.00 0.00 O ATOM 0 H ASP A 59 -6.534 -1.077 -8.405 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.059 -3.059 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.627 -3.006 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.766 -1.499 -6.079 1.00 0.00 H new ATOM 915 N GLY A 60 -6.617 -5.310 -7.389 1.00 0.00 N ATOM 916 CA GLY A 60 -6.867 -6.637 -7.919 1.00 0.00 C ATOM 917 C GLY A 60 -5.587 -7.385 -8.236 1.00 0.00 C ATOM 918 O GLY A 60 -5.418 -8.539 -7.839 1.00 0.00 O ATOM 0 H GLY A 60 -6.080 -5.289 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.450 -7.209 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.470 -6.556 -8.823 1.00 0.00 H new ATOM 922 N LYS A 61 -4.683 -6.729 -8.955 1.00 0.00 N ATOM 923 CA LYS A 61 -3.412 -7.339 -9.327 1.00 0.00 C ATOM 924 C LYS A 61 -2.581 -7.663 -8.090 1.00 0.00 C ATOM 925 O LYS A 61 -2.996 -7.390 -6.963 1.00 0.00 O ATOM 926 CB LYS A 61 -2.626 -6.405 -10.251 1.00 0.00 C ATOM 927 CG LYS A 61 -3.189 -6.327 -11.659 1.00 0.00 C ATOM 928 CD LYS A 61 -2.149 -5.833 -12.650 1.00 0.00 C ATOM 929 CE LYS A 61 -2.779 -5.469 -13.986 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.752 -5.131 -15.010 1.00 0.00 N ATOM 0 H LYS A 61 -4.807 -5.774 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.625 -8.269 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.614 -5.405 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.591 -6.743 -10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.545 -7.311 -11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.050 -5.659 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.638 -4.963 -12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.394 -6.604 -12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.385 -6.303 -14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.451 -4.621 -13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.222 -4.889 -15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.190 -4.319 -14.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.126 -5.949 -15.157 1.00 0.00 H new ATOM 944 N ARG A 62 -1.407 -8.246 -8.307 1.00 0.00 N ATOM 945 CA ARG A 62 -0.518 -8.608 -7.209 1.00 0.00 C ATOM 946 C ARG A 62 0.760 -7.776 -7.248 1.00 0.00 C ATOM 947 O ARG A 62 1.358 -7.586 -8.308 1.00 0.00 O ATOM 948 CB ARG A 62 -0.174 -10.097 -7.272 1.00 0.00 C ATOM 949 CG ARG A 62 -1.362 -11.009 -7.015 1.00 0.00 C ATOM 950 CD ARG A 62 -0.973 -12.475 -7.124 1.00 0.00 C ATOM 951 NE ARG A 62 -2.100 -13.362 -6.851 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.992 -13.720 -7.768 1.00 0.00 C ATOM 953 NH1 ARG A 62 -2.889 -13.270 -9.010 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.991 -14.531 -7.442 1.00 0.00 N ATOM 0 H ARG A 62 -1.049 -8.478 -9.233 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.036 -8.402 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.241 -10.324 -8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.604 -10.313 -6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.766 -10.811 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.154 -10.787 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.589 -12.675 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.166 -12.689 -6.424 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.208 -13.727 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.123 -12.647 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.576 -13.547 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.074 -14.880 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.676 -14.806 -8.146 1.00 0.00 H new ATOM 968 N LEU A 63 1.175 -7.283 -6.086 1.00 0.00 N ATOM 969 CA LEU A 63 2.383 -6.471 -5.987 1.00 0.00 C ATOM 970 C LEU A 63 3.549 -7.140 -6.707 1.00 0.00 C ATOM 971 O LEU A 63 4.383 -6.469 -7.316 1.00 0.00 O ATOM 972 CB LEU A 63 2.743 -6.234 -4.519 1.00 0.00 C ATOM 973 CG LEU A 63 2.030 -5.068 -3.833 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.530 -4.903 -2.406 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.230 -3.783 -4.622 1.00 0.00 C ATOM 0 H LEU A 63 0.693 -7.431 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 63 2.187 -5.512 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.527 -7.145 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.818 -6.067 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 63 0.963 -5.288 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.012 -4.069 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.335 -5.817 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.602 -4.705 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.716 -2.964 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.295 -3.558 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.823 -3.905 -5.626 1.00 0.00 H new ATOM 987 N SER A 64 3.600 -8.466 -6.634 1.00 0.00 N ATOM 988 CA SER A 64 4.666 -9.226 -7.278 1.00 0.00 C ATOM 989 C SER A 64 4.723 -8.923 -8.772 1.00 0.00 C ATOM 990 O SER A 64 5.802 -8.781 -9.347 1.00 0.00 O ATOM 991 CB SER A 64 4.456 -10.726 -7.058 1.00 0.00 C ATOM 992 OG SER A 64 3.261 -11.170 -7.678 1.00 0.00 O ATOM 0 H SER A 64 2.917 -9.036 -6.136 1.00 0.00 H new ATOM 0 HA SER A 64 5.613 -8.929 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.305 -11.278 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.416 -10.938 -5.990 1.00 0.00 H new ATOM 0 HG SER A 64 3.151 -12.132 -7.524 1.00 0.00 H new ATOM 998 N ASP A 65 3.553 -8.826 -9.395 1.00 0.00 N ATOM 999 CA ASP A 65 3.469 -8.538 -10.822 1.00 0.00 C ATOM 1000 C ASP A 65 4.095 -7.185 -11.142 1.00 0.00 C ATOM 1001 O ASP A 65 4.378 -6.879 -12.300 1.00 0.00 O ATOM 1002 CB ASP A 65 2.010 -8.561 -11.282 1.00 0.00 C ATOM 1003 CG ASP A 65 1.435 -9.964 -11.315 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.563 -10.682 -10.301 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.857 -10.343 -12.354 1.00 0.00 O ATOM 0 H ASP A 65 2.650 -8.943 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 65 4.024 -9.309 -11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.412 -7.942 -10.614 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.938 -8.119 -12.276 1.00 0.00 H new ATOM 1010 N TYR A 66 4.307 -6.378 -10.108 1.00 0.00 N ATOM 1011 CA TYR A 66 4.896 -5.055 -10.280 1.00 0.00 C ATOM 1012 C TYR A 66 6.399 -5.090 -10.019 1.00 0.00 C ATOM 1013 O TYR A 66 7.058 -4.051 -9.977 1.00 0.00 O ATOM 1014 CB TYR A 66 4.228 -4.050 -9.340 1.00 0.00 C ATOM 1015 CG TYR A 66 2.866 -3.593 -9.812 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.740 -2.670 -10.843 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.705 -4.085 -9.228 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.498 -2.249 -11.277 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.459 -3.670 -9.656 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.361 -2.752 -10.680 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.879 -2.336 -11.111 1.00 0.00 O ATOM 0 H TYR A 66 4.080 -6.617 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 66 4.731 -4.743 -11.311 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.129 -4.500 -8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.876 -3.181 -9.231 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.628 -2.275 -11.313 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.778 -4.804 -8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.418 -1.530 -12.079 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.433 -4.062 -9.191 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.121 -2.820 -11.928 1.00 0.00 H new ATOM 1031 N SER A 67 6.935 -6.294 -9.845 1.00 0.00 N ATOM 1032 CA SER A 67 8.359 -6.467 -9.585 1.00 0.00 C ATOM 1033 C SER A 67 8.759 -5.788 -8.279 1.00 0.00 C ATOM 1034 O SER A 67 9.769 -5.086 -8.215 1.00 0.00 O ATOM 1035 CB SER A 67 9.183 -5.898 -10.742 1.00 0.00 C ATOM 1036 OG SER A 67 10.529 -6.334 -10.672 1.00 0.00 O ATOM 0 H SER A 67 6.404 -7.164 -9.879 1.00 0.00 H new ATOM 0 HA SER A 67 8.560 -7.535 -9.496 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.746 -6.208 -11.691 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.148 -4.809 -10.716 1.00 0.00 H new ATOM 0 HG SER A 67 10.901 -6.108 -9.794 1.00 0.00 H new ATOM 1042 N ILE A 68 7.960 -6.002 -7.239 1.00 0.00 N ATOM 1043 CA ILE A 68 8.230 -5.413 -5.934 1.00 0.00 C ATOM 1044 C ILE A 68 8.424 -6.491 -4.873 1.00 0.00 C ATOM 1045 O ILE A 68 7.508 -7.257 -4.576 1.00 0.00 O ATOM 1046 CB ILE A 68 7.091 -4.474 -5.493 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.903 -3.351 -6.515 1.00 0.00 C ATOM 1048 CG2 ILE A 68 7.382 -3.900 -4.114 1.00 0.00 C ATOM 1049 CD1 ILE A 68 5.600 -2.600 -6.354 1.00 0.00 C ATOM 0 H ILE A 68 7.120 -6.579 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 68 9.149 -4.835 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 68 6.166 -5.048 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.731 -2.648 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.948 -3.773 -7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.568 -3.239 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.471 -4.713 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.315 -3.337 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.534 -1.819 -7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.765 -3.291 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.560 -2.148 -5.363 1.00 0.00 H new ATOM 1061 N GLY A 69 9.624 -6.544 -4.303 1.00 0.00 N ATOM 1062 CA GLY A 69 9.917 -7.530 -3.279 1.00 0.00 C ATOM 1063 C GLY A 69 9.776 -6.971 -1.878 1.00 0.00 C ATOM 1064 O GLY A 69 9.090 -5.974 -1.650 1.00 0.00 O ATOM 0 H GLY A 69 10.399 -5.921 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.246 -8.381 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.932 -7.902 -3.418 1.00 0.00 H new ATOM 1068 N PRO A 70 10.436 -7.621 -0.908 1.00 0.00 N ATOM 1069 CA PRO A 70 10.396 -7.201 0.496 1.00 0.00 C ATOM 1070 C PRO A 70 11.142 -5.892 0.731 1.00 0.00 C ATOM 1071 O PRO A 70 11.780 -5.359 -0.176 1.00 0.00 O ATOM 1072 CB PRO A 70 11.090 -8.351 1.230 1.00 0.00 C ATOM 1073 CG PRO A 70 11.983 -8.968 0.210 1.00 0.00 C ATOM 1074 CD PRO A 70 11.273 -8.816 -1.107 1.00 0.00 C ATOM 0 HA PRO A 70 9.378 -7.013 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.659 -7.988 2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.366 -9.072 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.954 -8.472 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.166 -10.018 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.976 -8.682 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.671 -9.694 -1.342 1.00 0.00 H new ATOM 1082 N ASN A 71 11.057 -5.379 1.954 1.00 0.00 N ATOM 1083 CA ASN A 71 11.725 -4.132 2.308 1.00 0.00 C ATOM 1084 C ASN A 71 11.422 -3.043 1.283 1.00 0.00 C ATOM 1085 O ASN A 71 12.288 -2.237 0.944 1.00 0.00 O ATOM 1086 CB ASN A 71 13.236 -4.348 2.407 1.00 0.00 C ATOM 1087 CG ASN A 71 13.595 -5.530 3.286 1.00 0.00 C ATOM 1088 OD1 ASN A 71 14.183 -6.507 2.822 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.241 -5.447 4.563 1.00 0.00 N ATOM 0 H ASN A 71 10.532 -5.808 2.716 1.00 0.00 H new ATOM 0 HA ASN A 71 11.347 -3.809 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.644 -4.504 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.704 -3.447 2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.455 -6.212 5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.755 -4.618 4.905 1.00 0.00 H new ATOM 1096 N SER A 72 10.186 -3.026 0.794 1.00 0.00 N ATOM 1097 CA SER A 72 9.768 -2.038 -0.195 1.00 0.00 C ATOM 1098 C SER A 72 8.888 -0.968 0.444 1.00 0.00 C ATOM 1099 O SER A 72 7.949 -1.277 1.179 1.00 0.00 O ATOM 1100 CB SER A 72 9.014 -2.718 -1.339 1.00 0.00 C ATOM 1101 OG SER A 72 9.913 -3.252 -2.296 1.00 0.00 O ATOM 0 H SER A 72 9.456 -3.685 1.066 1.00 0.00 H new ATOM 0 HA SER A 72 10.662 -1.558 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.385 -3.515 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.351 -1.999 -1.820 1.00 0.00 H new ATOM 0 HG SER A 72 9.847 -4.230 -2.296 1.00 0.00 H new ATOM 1107 N LYS A 73 9.199 0.292 0.160 1.00 0.00 N ATOM 1108 CA LYS A 73 8.438 1.410 0.704 1.00 0.00 C ATOM 1109 C LYS A 73 7.414 1.914 -0.307 1.00 0.00 C ATOM 1110 O LYS A 73 7.767 2.313 -1.418 1.00 0.00 O ATOM 1111 CB LYS A 73 9.379 2.548 1.104 1.00 0.00 C ATOM 1112 CG LYS A 73 10.227 2.236 2.324 1.00 0.00 C ATOM 1113 CD LYS A 73 11.368 3.228 2.479 1.00 0.00 C ATOM 1114 CE LYS A 73 10.884 4.548 3.059 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.375 5.465 2.002 1.00 0.00 N ATOM 0 H LYS A 73 9.974 0.565 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 73 7.907 1.059 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.036 2.777 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.789 3.443 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.602 2.256 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.630 1.227 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.135 2.804 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.833 3.404 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.094 4.357 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.701 5.030 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.722 6.429 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.712 5.144 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.335 5.464 2.013 1.00 0.00 H new ATOM 1129 N LEU A 74 6.144 1.896 0.084 1.00 0.00 N ATOM 1130 CA LEU A 74 5.068 2.353 -0.789 1.00 0.00 C ATOM 1131 C LEU A 74 4.654 3.779 -0.440 1.00 0.00 C ATOM 1132 O LEU A 74 4.760 4.203 0.709 1.00 0.00 O ATOM 1133 CB LEU A 74 3.863 1.418 -0.678 1.00 0.00 C ATOM 1134 CG LEU A 74 3.928 0.137 -1.511 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.150 -0.980 -0.833 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.394 0.386 -2.914 1.00 0.00 C ATOM 0 H LEU A 74 5.834 1.570 1.000 1.00 0.00 H new ATOM 0 HA LEU A 74 5.435 2.341 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.739 1.141 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.971 1.972 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 74 4.971 -0.170 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.207 -1.884 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.577 -1.176 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.107 -0.682 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.448 -0.536 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.357 0.718 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.994 1.155 -3.400 1.00 0.00 H new ATOM 1148 N ASN A 75 4.179 4.513 -1.442 1.00 0.00 N ATOM 1149 CA ASN A 75 3.746 5.891 -1.241 1.00 0.00 C ATOM 1150 C ASN A 75 2.230 5.969 -1.091 1.00 0.00 C ATOM 1151 O ASN A 75 1.493 5.210 -1.720 1.00 0.00 O ATOM 1152 CB ASN A 75 4.200 6.766 -2.411 1.00 0.00 C ATOM 1153 CG ASN A 75 5.594 7.327 -2.208 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.143 7.271 -1.107 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.173 7.872 -3.271 1.00 0.00 N ATOM 0 H ASN A 75 4.084 4.176 -2.400 1.00 0.00 H new ATOM 0 HA ASN A 75 4.203 6.259 -0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.178 6.179 -3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.496 7.588 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.111 8.266 -3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.680 7.896 -4.164 1.00 0.00 H new ATOM 1162 N LEU A 76 1.771 6.893 -0.253 1.00 0.00 N ATOM 1163 CA LEU A 76 0.342 7.071 -0.020 1.00 0.00 C ATOM 1164 C LEU A 76 -0.087 8.501 -0.336 1.00 0.00 C ATOM 1165 O LEU A 76 0.505 9.461 0.157 1.00 0.00 O ATOM 1166 CB LEU A 76 -0.005 6.732 1.430 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.493 6.587 1.749 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -2.020 5.252 1.246 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.735 6.730 3.244 1.00 0.00 C ATOM 0 H LEU A 76 2.367 7.530 0.276 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.196 6.394 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.495 5.800 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.410 7.509 2.073 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.033 7.383 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.081 5.167 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.883 5.190 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.475 4.441 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.800 6.624 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.182 5.957 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.397 7.712 3.575 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.121 8.634 -1.160 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.632 9.946 -1.539 1.00 0.00 C ATOM 1183 C VAL A 77 -3.071 10.133 -1.070 1.00 0.00 C ATOM 1184 O VAL A 77 -3.865 9.193 -1.080 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.570 10.153 -3.064 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.984 11.571 -3.428 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.175 9.846 -3.587 1.00 0.00 C ATOM 0 H VAL A 77 -1.621 7.850 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.996 10.686 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.270 9.463 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.934 11.698 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.004 11.751 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.311 12.281 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.149 9.998 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.546 10.510 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.079 8.811 -3.360 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.400 11.353 -0.659 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.744 11.664 -0.186 1.00 0.00 C ATOM 1199 C VAL A 78 -5.528 12.444 -1.236 1.00 0.00 C ATOM 1200 O VAL A 78 -5.128 13.534 -1.644 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.705 12.480 1.120 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.113 12.846 1.562 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -3.979 11.706 2.209 1.00 0.00 C ATOM 0 H VAL A 78 -2.754 12.143 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.241 10.713 0.004 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.156 13.404 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.066 13.422 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.594 13.442 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.689 11.936 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.961 12.297 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.498 10.765 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.957 11.500 1.890 1.00 0.00 H new