USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 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 Single : A 8 MET CE :methyl -110:sc= -1.89 (180deg=-3.35!) USER MOD Single : A 9 GLN : amide:sc= -0.0705 X(o=-0.071,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 141:sc= -0.496 (180deg=-1.77!) USER MOD Single : A 20 CYS SG : rot 113:sc= -0.781 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.394 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.48 X(o=0.48,f=-0.012) USER MOD Single : A 38 SER OG : rot 53:sc= 1.08 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= -0.245 X(o=-0.24,f=-0.24) USER MOD Single : A 48 GLN : amide:sc= -0.658 K(o=-0.66,f=-3.2!) 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+ 176:sc= 0 (180deg=-0.0156) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.151 USER MOD Single : A 67 SER OG : rot -52:sc= 0.68 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 72 SER OG : rot 115:sc= 0.696 USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0359) USER MOD Single : A 75 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.853 -14.049 4.455 1.00 0.00 N ATOM 60 CA GLY A 7 5.554 -12.944 3.563 1.00 0.00 C ATOM 61 C GLY A 7 6.654 -11.901 3.543 1.00 0.00 C ATOM 62 O GLY A 7 7.834 -12.233 3.644 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.402 -13.327 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.619 -12.476 3.870 1.00 0.00 H new ATOM 66 N MET A 8 6.266 -10.637 3.410 1.00 0.00 N ATOM 67 CA MET A 8 7.229 -9.542 3.376 1.00 0.00 C ATOM 68 C MET A 8 6.695 -8.325 4.124 1.00 0.00 C ATOM 69 O MET A 8 5.484 -8.141 4.243 1.00 0.00 O ATOM 70 CB MET A 8 7.553 -9.164 1.929 1.00 0.00 C ATOM 71 CG MET A 8 6.340 -8.713 1.132 1.00 0.00 C ATOM 72 SD MET A 8 6.785 -7.964 -0.447 1.00 0.00 S ATOM 73 CE MET A 8 5.275 -7.086 -0.842 1.00 0.00 C ATOM 0 H MET A 8 5.292 -10.346 3.324 1.00 0.00 H new ATOM 0 HA MET A 8 8.141 -9.878 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.295 -8.366 1.928 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.006 -10.021 1.431 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.689 -9.569 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.769 -7.996 1.722 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.781 -7.572 -1.684 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.611 -7.096 0.023 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.512 -6.055 -1.106 1.00 0.00 H new ATOM 83 N GLN A 9 7.606 -7.498 4.626 1.00 0.00 N ATOM 84 CA GLN A 9 7.226 -6.299 5.363 1.00 0.00 C ATOM 85 C GLN A 9 7.162 -5.088 4.438 1.00 0.00 C ATOM 86 O GLN A 9 8.070 -4.855 3.639 1.00 0.00 O ATOM 87 CB GLN A 9 8.216 -6.036 6.499 1.00 0.00 C ATOM 88 CG GLN A 9 7.872 -4.816 7.337 1.00 0.00 C ATOM 89 CD GLN A 9 8.792 -4.649 8.530 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.433 -3.611 8.694 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.861 -5.673 9.373 1.00 0.00 N ATOM 0 H GLN A 9 8.613 -7.636 4.536 1.00 0.00 H new ATOM 0 HA GLN A 9 6.235 -6.463 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.254 -6.912 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.213 -5.908 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.927 -3.924 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.843 -4.898 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.312 -6.515 9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.463 -5.617 10.195 1.00 0.00 H new ATOM 100 N LEU A 10 6.084 -4.319 4.551 1.00 0.00 N ATOM 101 CA LEU A 10 5.902 -3.132 3.724 1.00 0.00 C ATOM 102 C LEU A 10 5.684 -1.894 4.589 1.00 0.00 C ATOM 103 O LEU A 10 5.122 -1.978 5.682 1.00 0.00 O ATOM 104 CB LEU A 10 4.714 -3.322 2.778 1.00 0.00 C ATOM 105 CG LEU A 10 4.960 -4.220 1.565 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.678 -4.402 0.768 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.059 -3.639 0.686 1.00 0.00 C ATOM 0 H LEU A 10 5.323 -4.497 5.207 1.00 0.00 H new ATOM 0 HA LEU A 10 6.808 -2.987 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.883 -3.736 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.399 -2.341 2.421 1.00 0.00 H new ATOM 0 HG LEU A 10 5.285 -5.198 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.872 -5.044 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.919 -4.862 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.323 -3.431 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.221 -4.291 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.762 -2.649 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.982 -3.561 1.261 1.00 0.00 H new ATOM 119 N THR A 11 6.131 -0.745 4.092 1.00 0.00 N ATOM 120 CA THR A 11 5.984 0.510 4.819 1.00 0.00 C ATOM 121 C THR A 11 5.372 1.590 3.933 1.00 0.00 C ATOM 122 O THR A 11 6.020 2.095 3.016 1.00 0.00 O ATOM 123 CB THR A 11 7.339 1.010 5.356 1.00 0.00 C ATOM 124 OG1 THR A 11 8.124 -0.098 5.810 1.00 0.00 O ATOM 125 CG2 THR A 11 7.138 1.997 6.496 1.00 0.00 C ATOM 0 H THR A 11 6.598 -0.658 3.189 1.00 0.00 H new ATOM 0 HA THR A 11 5.319 0.313 5.659 1.00 0.00 H new ATOM 0 HB THR A 11 7.862 1.518 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.984 0.227 6.148 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.108 2.336 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.564 2.853 6.140 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.597 1.510 7.308 1.00 0.00 H new ATOM 133 N VAL A 12 4.121 1.939 4.213 1.00 0.00 N ATOM 134 CA VAL A 12 3.422 2.961 3.443 1.00 0.00 C ATOM 135 C VAL A 12 3.674 4.350 4.017 1.00 0.00 C ATOM 136 O VAL A 12 3.268 4.654 5.139 1.00 0.00 O ATOM 137 CB VAL A 12 1.904 2.698 3.410 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.175 3.863 2.758 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.605 1.397 2.682 1.00 0.00 C ATOM 0 H VAL A 12 3.570 1.529 4.967 1.00 0.00 H new ATOM 0 HA VAL A 12 3.814 2.915 2.427 1.00 0.00 H new ATOM 0 HB VAL A 12 1.546 2.604 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.104 3.660 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.364 4.774 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.534 3.991 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.528 1.227 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.976 1.459 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.096 0.571 3.196 1.00 0.00 H new ATOM 149 N LYS A 13 4.346 5.193 3.240 1.00 0.00 N ATOM 150 CA LYS A 13 4.651 6.552 3.669 1.00 0.00 C ATOM 151 C LYS A 13 3.875 7.572 2.841 1.00 0.00 C ATOM 152 O LYS A 13 4.054 7.664 1.627 1.00 0.00 O ATOM 153 CB LYS A 13 6.153 6.821 3.551 1.00 0.00 C ATOM 154 CG LYS A 13 6.663 7.867 4.527 1.00 0.00 C ATOM 155 CD LYS A 13 6.349 9.275 4.049 1.00 0.00 C ATOM 156 CE LYS A 13 7.439 9.807 3.131 1.00 0.00 C ATOM 157 NZ LYS A 13 7.272 9.322 1.733 1.00 0.00 N ATOM 0 H LYS A 13 4.690 4.958 2.309 1.00 0.00 H new ATOM 0 HA LYS A 13 4.350 6.653 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.694 5.889 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.377 7.145 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.211 7.704 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.740 7.756 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.395 9.277 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.240 9.937 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.423 10.897 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.414 9.499 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.507 10.088 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.906 8.514 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.287 9.025 1.584 1.00 0.00 H new ATOM 171 N ALA A 14 3.015 8.336 3.506 1.00 0.00 N ATOM 172 CA ALA A 14 2.215 9.350 2.832 1.00 0.00 C ATOM 173 C ALA A 14 2.995 10.651 2.677 1.00 0.00 C ATOM 174 O ALA A 14 3.547 11.175 3.645 1.00 0.00 O ATOM 175 CB ALA A 14 0.921 9.596 3.595 1.00 0.00 C ATOM 0 H ALA A 14 2.855 8.272 4.511 1.00 0.00 H new ATOM 0 HA ALA A 14 1.972 8.982 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.334 10.356 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.349 8.670 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.153 9.939 4.603 1.00 0.00 H new ATOM 224 N ARG A 18 1.485 10.922 7.257 1.00 0.00 N ATOM 225 CA ARG A 18 1.683 9.804 8.172 1.00 0.00 C ATOM 226 C ARG A 18 2.164 8.566 7.421 1.00 0.00 C ATOM 227 O ARG A 18 2.270 8.574 6.195 1.00 0.00 O ATOM 228 CB ARG A 18 0.383 9.490 8.915 1.00 0.00 C ATOM 229 CG ARG A 18 0.067 10.473 10.031 1.00 0.00 C ATOM 230 CD ARG A 18 0.841 10.145 11.298 1.00 0.00 C ATOM 231 NE ARG A 18 0.145 10.601 12.498 1.00 0.00 N ATOM 232 CZ ARG A 18 0.242 11.835 12.980 1.00 0.00 C ATOM 233 NH1 ARG A 18 1.002 12.732 12.367 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.422 12.174 14.077 1.00 0.00 N ATOM 0 HA ARG A 18 2.447 10.089 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.441 9.486 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.447 8.486 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.311 11.485 9.706 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.002 10.455 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.999 9.068 11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.826 10.610 11.252 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.448 9.935 12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.514 12.475 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.075 13.679 12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.008 11.487 14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.347 13.122 14.446 1.00 0.00 H new ATOM 248 N GLU A 19 2.455 7.504 8.166 1.00 0.00 N ATOM 249 CA GLU A 19 2.926 6.260 7.571 1.00 0.00 C ATOM 250 C GLU A 19 2.540 5.062 8.434 1.00 0.00 C ATOM 251 O GLU A 19 2.054 5.223 9.555 1.00 0.00 O ATOM 252 CB GLU A 19 4.444 6.300 7.385 1.00 0.00 C ATOM 253 CG GLU A 19 5.207 6.578 8.669 1.00 0.00 C ATOM 254 CD GLU A 19 6.628 7.044 8.415 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.511 6.180 8.233 1.00 0.00 O ATOM 256 OE2 GLU A 19 6.856 8.271 8.397 1.00 0.00 O ATOM 0 H GLU A 19 2.373 7.481 9.182 1.00 0.00 H new ATOM 0 HA GLU A 19 2.450 6.152 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.776 5.347 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.692 7.067 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.677 7.337 9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.229 5.674 9.277 1.00 0.00 H new ATOM 263 N CYS A 20 2.759 3.864 7.906 1.00 0.00 N ATOM 264 CA CYS A 20 2.433 2.639 8.627 1.00 0.00 C ATOM 265 C CYS A 20 3.064 1.425 7.951 1.00 0.00 C ATOM 266 O CYS A 20 3.148 1.360 6.724 1.00 0.00 O ATOM 267 CB CYS A 20 0.917 2.460 8.712 1.00 0.00 C ATOM 268 SG CYS A 20 0.361 1.551 10.172 1.00 0.00 S ATOM 0 H CYS A 20 3.161 3.714 6.981 1.00 0.00 H new ATOM 0 HA CYS A 20 2.838 2.722 9.635 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.445 3.443 8.708 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.573 1.937 7.819 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.307 2.349 10.951 1.00 0.00 H new ATOM 274 N SER A 21 3.506 0.468 8.759 1.00 0.00 N ATOM 275 CA SER A 21 4.134 -0.741 8.239 1.00 0.00 C ATOM 276 C SER A 21 3.367 -1.984 8.679 1.00 0.00 C ATOM 277 O SER A 21 2.928 -2.084 9.826 1.00 0.00 O ATOM 278 CB SER A 21 5.587 -0.830 8.711 1.00 0.00 C ATOM 279 OG SER A 21 5.662 -0.860 10.126 1.00 0.00 O ATOM 0 H SER A 21 3.441 0.506 9.776 1.00 0.00 H new ATOM 0 HA SER A 21 4.116 -0.691 7.150 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.052 -1.726 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.149 0.024 8.332 1.00 0.00 H new ATOM 0 HG SER A 21 6.600 -0.919 10.403 1.00 0.00 H new ATOM 285 N LEU A 22 3.210 -2.931 7.761 1.00 0.00 N ATOM 286 CA LEU A 22 2.496 -4.169 8.053 1.00 0.00 C ATOM 287 C LEU A 22 3.194 -5.364 7.410 1.00 0.00 C ATOM 288 O LEU A 22 4.128 -5.201 6.626 1.00 0.00 O ATOM 289 CB LEU A 22 1.053 -4.078 7.555 1.00 0.00 C ATOM 290 CG LEU A 22 0.183 -3.005 8.210 1.00 0.00 C ATOM 291 CD1 LEU A 22 0.328 -1.680 7.477 1.00 0.00 C ATOM 292 CD2 LEU A 22 -1.274 -3.443 8.240 1.00 0.00 C ATOM 0 H LEU A 22 3.568 -2.865 6.808 1.00 0.00 H new ATOM 0 HA LEU A 22 2.492 -4.312 9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.072 -3.896 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.576 -5.046 7.706 1.00 0.00 H new ATOM 0 HG LEU A 22 0.521 -2.868 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.298 -0.928 7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.369 -1.359 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.017 -1.802 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.878 -2.667 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.625 -3.609 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.364 -4.368 8.810 1.00 0.00 H new ATOM 304 N GLN A 23 2.732 -6.564 7.747 1.00 0.00 N ATOM 305 CA GLN A 23 3.310 -7.786 7.202 1.00 0.00 C ATOM 306 C GLN A 23 2.376 -8.420 6.177 1.00 0.00 C ATOM 307 O GLN A 23 1.261 -8.825 6.505 1.00 0.00 O ATOM 308 CB GLN A 23 3.606 -8.781 8.325 1.00 0.00 C ATOM 309 CG GLN A 23 2.598 -8.732 9.462 1.00 0.00 C ATOM 310 CD GLN A 23 2.873 -9.771 10.531 1.00 0.00 C ATOM 311 OE1 GLN A 23 2.619 -10.960 10.338 1.00 0.00 O ATOM 312 NE2 GLN A 23 3.395 -9.326 11.668 1.00 0.00 N ATOM 0 H GLN A 23 1.959 -6.716 8.395 1.00 0.00 H new ATOM 0 HA GLN A 23 4.243 -7.525 6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.625 -9.789 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.601 -8.581 8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.613 -7.740 9.913 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.596 -8.885 9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.590 -8.332 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.601 -9.979 12.424 1.00 0.00 H new ATOM 321 N VAL A 24 2.839 -8.504 4.933 1.00 0.00 N ATOM 322 CA VAL A 24 2.045 -9.090 3.860 1.00 0.00 C ATOM 323 C VAL A 24 2.936 -9.757 2.819 1.00 0.00 C ATOM 324 O VAL A 24 4.069 -9.340 2.576 1.00 0.00 O ATOM 325 CB VAL A 24 1.169 -8.030 3.167 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.096 -7.520 4.116 1.00 0.00 C ATOM 327 CG2 VAL A 24 2.027 -6.883 2.653 1.00 0.00 C ATOM 0 H VAL A 24 3.760 -8.174 4.644 1.00 0.00 H new ATOM 0 HA VAL A 24 1.400 -9.841 4.317 1.00 0.00 H new ATOM 0 HB VAL A 24 0.674 -8.494 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.513 -6.772 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.536 -8.350 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.567 -7.072 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.392 -6.143 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.551 -6.418 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.754 -7.265 1.936 1.00 0.00 H new ATOM 337 N PRO A 25 2.415 -10.819 2.186 1.00 0.00 N ATOM 338 CA PRO A 25 3.146 -11.566 1.159 1.00 0.00 C ATOM 339 C PRO A 25 3.323 -10.764 -0.126 1.00 0.00 C ATOM 340 O PRO A 25 2.741 -9.691 -0.283 1.00 0.00 O ATOM 341 CB PRO A 25 2.258 -12.787 0.909 1.00 0.00 C ATOM 342 CG PRO A 25 0.888 -12.345 1.294 1.00 0.00 C ATOM 343 CD PRO A 25 1.071 -11.370 2.424 1.00 0.00 C ATOM 0 HA PRO A 25 4.157 -11.816 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.295 -13.096 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.581 -13.640 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.378 -11.876 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.277 -13.193 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.309 -10.591 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 25 1.005 -11.862 3.394 1.00 0.00 H new ATOM 351 N GLU A 26 4.130 -11.292 -1.042 1.00 0.00 N ATOM 352 CA GLU A 26 4.383 -10.624 -2.313 1.00 0.00 C ATOM 353 C GLU A 26 3.220 -10.833 -3.278 1.00 0.00 C ATOM 354 O GLU A 26 2.939 -9.982 -4.123 1.00 0.00 O ATOM 355 CB GLU A 26 5.679 -11.142 -2.938 1.00 0.00 C ATOM 356 CG GLU A 26 6.818 -11.292 -1.942 1.00 0.00 C ATOM 357 CD GLU A 26 8.024 -11.993 -2.537 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.934 -13.211 -2.798 1.00 0.00 O ATOM 359 OE2 GLU A 26 9.058 -11.323 -2.741 1.00 0.00 O ATOM 0 H GLU A 26 4.619 -12.180 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 26 4.484 -9.556 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.486 -12.108 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.988 -10.461 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.115 -10.306 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.467 -11.853 -1.076 1.00 0.00 H new ATOM 366 N ASP A 27 2.549 -11.972 -3.148 1.00 0.00 N ATOM 367 CA ASP A 27 1.416 -12.295 -4.008 1.00 0.00 C ATOM 368 C ASP A 27 0.119 -11.736 -3.431 1.00 0.00 C ATOM 369 O ASP A 27 -0.969 -12.213 -3.752 1.00 0.00 O ATOM 370 CB ASP A 27 1.299 -13.809 -4.187 1.00 0.00 C ATOM 371 CG ASP A 27 2.643 -14.470 -4.425 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.476 -13.877 -5.141 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.861 -15.580 -3.896 1.00 0.00 O ATOM 0 H ASP A 27 2.770 -12.687 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 27 1.587 -11.835 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.836 -14.242 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.639 -14.023 -5.027 1.00 0.00 H new ATOM 378 N GLU A 28 0.244 -10.725 -2.577 1.00 0.00 N ATOM 379 CA GLU A 28 -0.919 -10.104 -1.954 1.00 0.00 C ATOM 380 C GLU A 28 -1.628 -9.172 -2.933 1.00 0.00 C ATOM 381 O GLU A 28 -0.985 -8.441 -3.688 1.00 0.00 O ATOM 382 CB GLU A 28 -0.501 -9.326 -0.705 1.00 0.00 C ATOM 383 CG GLU A 28 -1.663 -8.972 0.208 1.00 0.00 C ATOM 384 CD GLU A 28 -2.277 -10.190 0.870 1.00 0.00 C ATOM 385 OE1 GLU A 28 -3.181 -10.803 0.265 1.00 0.00 O ATOM 386 OE2 GLU A 28 -1.853 -10.530 1.995 1.00 0.00 O ATOM 0 H GLU A 28 1.138 -10.319 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.611 -10.895 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.224 -9.917 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.003 -8.409 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.318 -8.280 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.428 -8.452 -0.369 1.00 0.00 H new ATOM 393 N LEU A 29 -2.956 -9.204 -2.915 1.00 0.00 N ATOM 394 CA LEU A 29 -3.753 -8.363 -3.801 1.00 0.00 C ATOM 395 C LEU A 29 -3.750 -6.914 -3.325 1.00 0.00 C ATOM 396 O LEU A 29 -3.913 -6.640 -2.136 1.00 0.00 O ATOM 397 CB LEU A 29 -5.189 -8.885 -3.875 1.00 0.00 C ATOM 398 CG LEU A 29 -5.347 -10.393 -4.070 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.816 -10.785 -4.036 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.706 -10.830 -5.380 1.00 0.00 C ATOM 0 H LEU A 29 -3.503 -9.803 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.308 -8.400 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.705 -8.602 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.697 -8.378 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.838 -10.902 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.909 -11.862 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.245 -10.506 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.349 -10.268 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.827 -11.906 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.187 -10.313 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.644 -10.584 -5.365 1.00 0.00 H new ATOM 412 N VAL A 30 -3.566 -5.989 -4.261 1.00 0.00 N ATOM 413 CA VAL A 30 -3.545 -4.567 -3.938 1.00 0.00 C ATOM 414 C VAL A 30 -4.834 -4.143 -3.243 1.00 0.00 C ATOM 415 O VAL A 30 -4.860 -3.152 -2.513 1.00 0.00 O ATOM 416 CB VAL A 30 -3.349 -3.708 -5.201 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.146 -2.247 -4.827 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.176 -4.225 -6.020 1.00 0.00 C ATOM 0 H VAL A 30 -3.429 -6.199 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.703 -4.407 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.249 -3.780 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.009 -1.655 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.020 -1.885 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.263 -2.153 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.052 -3.606 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.267 -4.184 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.367 -5.256 -6.319 1.00 0.00 H new ATOM 428 N SER A 31 -5.901 -4.900 -3.474 1.00 0.00 N ATOM 429 CA SER A 31 -7.195 -4.601 -2.872 1.00 0.00 C ATOM 430 C SER A 31 -7.164 -4.847 -1.367 1.00 0.00 C ATOM 431 O SER A 31 -7.742 -4.086 -0.589 1.00 0.00 O ATOM 432 CB SER A 31 -8.291 -5.452 -3.517 1.00 0.00 C ATOM 433 OG SER A 31 -8.509 -5.068 -4.863 1.00 0.00 O ATOM 0 H SER A 31 -5.895 -5.725 -4.074 1.00 0.00 H new ATOM 0 HA SER A 31 -7.414 -3.547 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.010 -6.504 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.217 -5.348 -2.951 1.00 0.00 H new ATOM 0 HG SER A 31 -9.212 -5.628 -5.253 1.00 0.00 H new ATOM 439 N THR A 32 -6.485 -5.916 -0.962 1.00 0.00 N ATOM 440 CA THR A 32 -6.379 -6.264 0.449 1.00 0.00 C ATOM 441 C THR A 32 -5.188 -5.569 1.099 1.00 0.00 C ATOM 442 O THR A 32 -5.057 -5.554 2.324 1.00 0.00 O ATOM 443 CB THR A 32 -6.239 -7.786 0.643 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.407 -8.452 0.150 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.035 -8.128 2.111 1.00 0.00 C ATOM 0 H THR A 32 -6.000 -6.556 -1.592 1.00 0.00 H new ATOM 0 HA THR A 32 -7.298 -5.927 0.928 1.00 0.00 H new ATOM 0 HB THR A 32 -5.366 -8.123 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.310 -9.419 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.939 -9.208 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.129 -7.643 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.891 -7.778 2.688 1.00 0.00 H new ATOM 453 N LEU A 33 -4.322 -4.993 0.272 1.00 0.00 N ATOM 454 CA LEU A 33 -3.141 -4.294 0.767 1.00 0.00 C ATOM 455 C LEU A 33 -3.479 -2.856 1.149 1.00 0.00 C ATOM 456 O LEU A 33 -2.796 -2.243 1.969 1.00 0.00 O ATOM 457 CB LEU A 33 -2.036 -4.306 -0.291 1.00 0.00 C ATOM 458 CG LEU A 33 -1.197 -5.582 -0.371 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.701 -5.807 -1.790 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.028 -5.513 0.601 1.00 0.00 C ATOM 0 H LEU A 33 -4.415 -4.996 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.789 -4.814 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.492 -4.133 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.367 -3.467 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.827 -6.426 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.106 -6.720 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.553 -5.902 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.087 -4.961 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.558 -6.429 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.602 -4.659 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.406 -5.401 1.617 1.00 0.00 H new ATOM 472 N LYS A 34 -4.539 -2.324 0.550 1.00 0.00 N ATOM 473 CA LYS A 34 -4.971 -0.960 0.829 1.00 0.00 C ATOM 474 C LYS A 34 -5.987 -0.933 1.967 1.00 0.00 C ATOM 475 O LYS A 34 -6.146 0.083 2.644 1.00 0.00 O ATOM 476 CB LYS A 34 -5.579 -0.329 -0.426 1.00 0.00 C ATOM 477 CG LYS A 34 -4.576 -0.117 -1.547 1.00 0.00 C ATOM 478 CD LYS A 34 -5.252 -0.116 -2.907 1.00 0.00 C ATOM 479 CE LYS A 34 -4.466 0.703 -3.920 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.291 1.059 -5.107 1.00 0.00 N ATOM 0 H LYS A 34 -5.115 -2.817 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.097 -0.383 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.386 -0.966 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.024 0.630 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.056 0.829 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.822 -0.903 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.352 -1.141 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.260 0.289 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.101 1.614 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.591 0.139 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.719 1.617 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.619 0.190 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.113 1.619 -4.803 1.00 0.00 H new ATOM 494 N GLN A 35 -6.669 -2.055 2.172 1.00 0.00 N ATOM 495 CA GLN A 35 -7.669 -2.158 3.229 1.00 0.00 C ATOM 496 C GLN A 35 -7.005 -2.339 4.590 1.00 0.00 C ATOM 497 O GLN A 35 -7.594 -2.030 5.626 1.00 0.00 O ATOM 498 CB GLN A 35 -8.616 -3.327 2.951 1.00 0.00 C ATOM 499 CG GLN A 35 -9.546 -3.089 1.772 1.00 0.00 C ATOM 500 CD GLN A 35 -10.387 -4.305 1.437 1.00 0.00 C ATOM 501 OE1 GLN A 35 -11.099 -4.835 2.291 1.00 0.00 O ATOM 502 NE2 GLN A 35 -10.309 -4.755 0.190 1.00 0.00 N ATOM 0 H GLN A 35 -6.548 -2.905 1.621 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.242 -1.231 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.027 -4.224 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.214 -3.519 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.203 -2.248 1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.956 -2.809 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.706 -4.285 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.852 -5.571 -0.093 1.00 0.00 H new ATOM 511 N LEU A 36 -5.775 -2.842 4.580 1.00 0.00 N ATOM 512 CA LEU A 36 -5.030 -3.065 5.815 1.00 0.00 C ATOM 513 C LEU A 36 -4.563 -1.742 6.415 1.00 0.00 C ATOM 514 O LEU A 36 -4.496 -1.592 7.635 1.00 0.00 O ATOM 515 CB LEU A 36 -3.826 -3.971 5.551 1.00 0.00 C ATOM 516 CG LEU A 36 -4.143 -5.438 5.255 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.933 -6.133 4.651 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.594 -6.152 6.521 1.00 0.00 C ATOM 0 H LEU A 36 -5.273 -3.103 3.731 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.694 -3.553 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.267 -3.563 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.168 -3.930 6.419 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.957 -5.476 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.177 -7.176 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.655 -5.637 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.099 -6.086 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.815 -7.194 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.801 -6.105 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.489 -5.669 6.912 1.00 0.00 H new ATOM 530 N VAL A 37 -4.244 -0.785 5.549 1.00 0.00 N ATOM 531 CA VAL A 37 -3.787 0.526 5.994 1.00 0.00 C ATOM 532 C VAL A 37 -4.965 1.435 6.326 1.00 0.00 C ATOM 533 O VAL A 37 -4.864 2.307 7.189 1.00 0.00 O ATOM 534 CB VAL A 37 -2.912 1.208 4.924 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.399 2.547 5.429 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.758 0.301 4.523 1.00 0.00 C ATOM 0 H VAL A 37 -4.294 -0.893 4.536 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.191 0.366 6.892 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.524 1.391 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.783 3.014 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.243 3.196 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.802 2.392 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.150 0.798 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.144 0.085 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.152 -0.631 4.117 1.00 0.00 H new ATOM 546 N SER A 38 -6.081 1.224 5.636 1.00 0.00 N ATOM 547 CA SER A 38 -7.278 2.027 5.856 1.00 0.00 C ATOM 548 C SER A 38 -7.746 1.919 7.304 1.00 0.00 C ATOM 549 O SER A 38 -8.398 2.823 7.825 1.00 0.00 O ATOM 550 CB SER A 38 -8.397 1.582 4.912 1.00 0.00 C ATOM 551 OG SER A 38 -9.672 1.833 5.477 1.00 0.00 O ATOM 0 H SER A 38 -6.181 0.504 4.920 1.00 0.00 H new ATOM 0 HA SER A 38 -7.030 3.068 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.307 2.109 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.294 0.518 4.697 1.00 0.00 H new ATOM 0 HG SER A 38 -9.729 2.772 5.753 1.00 0.00 H new ATOM 557 N GLU A 39 -7.409 0.805 7.947 1.00 0.00 N ATOM 558 CA GLU A 39 -7.796 0.578 9.335 1.00 0.00 C ATOM 559 C GLU A 39 -6.764 1.170 10.291 1.00 0.00 C ATOM 560 O GLU A 39 -7.114 1.743 11.323 1.00 0.00 O ATOM 561 CB GLU A 39 -7.956 -0.919 9.604 1.00 0.00 C ATOM 562 CG GLU A 39 -6.841 -1.767 9.016 1.00 0.00 C ATOM 563 CD GLU A 39 -6.916 -3.216 9.454 1.00 0.00 C ATOM 564 OE1 GLU A 39 -7.585 -3.493 10.472 1.00 0.00 O ATOM 565 OE2 GLU A 39 -6.306 -4.073 8.781 1.00 0.00 O ATOM 0 H GLU A 39 -6.870 0.047 7.530 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.751 1.075 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.996 -1.083 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.909 -1.253 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.887 -1.718 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.878 -1.351 9.313 1.00 0.00 H new ATOM 572 N LYS A 40 -5.490 1.027 9.940 1.00 0.00 N ATOM 573 CA LYS A 40 -4.406 1.547 10.765 1.00 0.00 C ATOM 574 C LYS A 40 -4.495 3.065 10.886 1.00 0.00 C ATOM 575 O LYS A 40 -4.195 3.632 11.938 1.00 0.00 O ATOM 576 CB LYS A 40 -3.052 1.150 10.172 1.00 0.00 C ATOM 577 CG LYS A 40 -2.530 -0.180 10.685 1.00 0.00 C ATOM 578 CD LYS A 40 -2.072 -0.080 12.131 1.00 0.00 C ATOM 579 CE LYS A 40 -1.049 -1.154 12.468 1.00 0.00 C ATOM 580 NZ LYS A 40 -1.084 -1.520 13.911 1.00 0.00 N ATOM 0 H LYS A 40 -5.183 0.555 9.089 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.500 1.115 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.140 1.102 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.323 1.928 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.312 -0.935 10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.699 -0.511 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.639 0.904 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.932 -0.175 12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.241 -2.041 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.052 -0.800 12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.372 -2.255 14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.876 -0.680 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.028 -1.882 14.155 1.00 0.00 H new ATOM 594 N LEU A 41 -4.909 3.717 9.805 1.00 0.00 N ATOM 595 CA LEU A 41 -5.039 5.170 9.792 1.00 0.00 C ATOM 596 C LEU A 41 -6.506 5.585 9.767 1.00 0.00 C ATOM 597 O LEU A 41 -6.825 6.767 9.647 1.00 0.00 O ATOM 598 CB LEU A 41 -4.311 5.755 8.580 1.00 0.00 C ATOM 599 CG LEU A 41 -2.826 5.410 8.458 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.281 5.865 7.114 1.00 0.00 C ATOM 601 CD2 LEU A 41 -2.037 6.039 9.597 1.00 0.00 C ATOM 0 H LEU A 41 -5.160 3.263 8.927 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.586 5.559 10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.818 5.414 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.410 6.840 8.611 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.718 4.327 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.223 5.611 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.826 5.367 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.402 6.944 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.983 5.783 9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.152 7.122 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.410 5.663 10.549 1.00 0.00 H new ATOM 613 N ASN A 42 -7.396 4.604 9.882 1.00 0.00 N ATOM 614 CA ASN A 42 -8.830 4.868 9.875 1.00 0.00 C ATOM 615 C ASN A 42 -9.227 5.679 8.645 1.00 0.00 C ATOM 616 O ASN A 42 -10.199 6.435 8.674 1.00 0.00 O ATOM 617 CB ASN A 42 -9.239 5.615 11.146 1.00 0.00 C ATOM 618 CG ASN A 42 -9.523 4.675 12.302 1.00 0.00 C ATOM 619 OD1 ASN A 42 -10.674 4.326 12.564 1.00 0.00 O ATOM 620 ND2 ASN A 42 -8.472 4.262 13.000 1.00 0.00 N ATOM 0 H ASN A 42 -7.149 3.619 9.981 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.350 3.911 9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.445 6.306 11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.126 6.215 10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.601 3.629 13.790 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.536 4.577 12.747 1.00 0.00 H new ATOM 627 N VAL A 43 -8.470 5.516 7.565 1.00 0.00 N ATOM 628 CA VAL A 43 -8.743 6.232 6.324 1.00 0.00 C ATOM 629 C VAL A 43 -9.348 5.304 5.277 1.00 0.00 C ATOM 630 O VAL A 43 -8.934 4.155 5.116 1.00 0.00 O ATOM 631 CB VAL A 43 -7.464 6.870 5.751 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.753 7.539 4.416 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.877 7.867 6.740 1.00 0.00 C ATOM 0 H VAL A 43 -7.662 4.894 7.524 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.457 7.020 6.563 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.729 6.082 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.838 7.984 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.124 6.796 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.504 8.316 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.974 8.308 6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.605 8.653 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.631 7.355 7.670 1.00 0.00 H new ATOM 643 N PRO A 44 -10.351 5.811 4.546 1.00 0.00 N ATOM 644 CA PRO A 44 -11.035 5.045 3.500 1.00 0.00 C ATOM 645 C PRO A 44 -10.145 4.799 2.286 1.00 0.00 C ATOM 646 O PRO A 44 -9.470 5.709 1.804 1.00 0.00 O ATOM 647 CB PRO A 44 -12.219 5.938 3.122 1.00 0.00 C ATOM 648 CG PRO A 44 -11.782 7.317 3.478 1.00 0.00 C ATOM 649 CD PRO A 44 -10.896 7.172 4.684 1.00 0.00 C ATOM 0 HA PRO A 44 -11.325 4.053 3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.452 5.858 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.119 5.655 3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.244 7.781 2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.639 7.954 3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.105 7.922 4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.457 7.288 5.611 1.00 0.00 H new ATOM 657 N VAL A 45 -10.148 3.563 1.796 1.00 0.00 N ATOM 658 CA VAL A 45 -9.342 3.198 0.637 1.00 0.00 C ATOM 659 C VAL A 45 -9.682 4.071 -0.566 1.00 0.00 C ATOM 660 O VAL A 45 -8.792 4.562 -1.260 1.00 0.00 O ATOM 661 CB VAL A 45 -9.542 1.719 0.258 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.567 1.312 -0.837 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.385 0.829 1.482 1.00 0.00 C ATOM 0 H VAL A 45 -10.700 2.798 2.184 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.300 3.356 0.914 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.555 1.594 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.723 0.264 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.733 1.929 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.545 1.451 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.530 -0.213 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.385 0.955 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.127 1.106 2.231 1.00 0.00 H new ATOM 673 N ARG A 46 -10.975 4.260 -0.806 1.00 0.00 N ATOM 674 CA ARG A 46 -11.433 5.073 -1.926 1.00 0.00 C ATOM 675 C ARG A 46 -10.701 6.411 -1.961 1.00 0.00 C ATOM 676 O ARG A 46 -10.639 7.067 -3.001 1.00 0.00 O ATOM 677 CB ARG A 46 -12.942 5.307 -1.830 1.00 0.00 C ATOM 678 CG ARG A 46 -13.773 4.147 -2.353 1.00 0.00 C ATOM 679 CD ARG A 46 -13.934 3.059 -1.303 1.00 0.00 C ATOM 680 NE ARG A 46 -14.559 3.563 -0.084 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.872 3.703 0.065 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.693 3.377 -0.924 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.366 4.169 1.205 1.00 0.00 N ATOM 0 H ARG A 46 -11.724 3.861 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.214 4.534 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.207 5.492 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.198 6.207 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.755 4.509 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.299 3.730 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.537 2.248 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.957 2.640 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.955 3.822 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.317 3.018 -1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.700 3.485 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.738 4.420 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.374 4.276 1.318 1.00 0.00 H new ATOM 697 N GLN A 47 -10.150 6.809 -0.819 1.00 0.00 N ATOM 698 CA GLN A 47 -9.424 8.069 -0.720 1.00 0.00 C ATOM 699 C GLN A 47 -7.923 7.846 -0.874 1.00 0.00 C ATOM 700 O GLN A 47 -7.328 8.235 -1.879 1.00 0.00 O ATOM 701 CB GLN A 47 -9.716 8.747 0.620 1.00 0.00 C ATOM 702 CG GLN A 47 -11.076 9.424 0.675 1.00 0.00 C ATOM 703 CD GLN A 47 -11.196 10.574 -0.305 1.00 0.00 C ATOM 704 OE1 GLN A 47 -12.070 10.577 -1.172 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.315 11.559 -0.173 1.00 0.00 N ATOM 0 H GLN A 47 -10.193 6.277 0.050 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.761 8.718 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.657 8.003 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.942 9.488 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.852 8.689 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.253 9.793 1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.607 11.515 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.346 12.359 -0.805 1.00 0.00 H new ATOM 714 N GLN A 48 -7.317 7.219 0.129 1.00 0.00 N ATOM 715 CA GLN A 48 -5.885 6.946 0.105 1.00 0.00 C ATOM 716 C GLN A 48 -5.514 6.091 -1.103 1.00 0.00 C ATOM 717 O GLN A 48 -6.208 5.129 -1.431 1.00 0.00 O ATOM 718 CB GLN A 48 -5.457 6.241 1.394 1.00 0.00 C ATOM 719 CG GLN A 48 -6.016 4.835 1.533 1.00 0.00 C ATOM 720 CD GLN A 48 -5.382 4.065 2.674 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.509 4.578 3.375 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.819 2.826 2.868 1.00 0.00 N ATOM 0 H GLN A 48 -7.795 6.891 0.968 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.360 7.898 0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.369 6.195 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.779 6.837 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.093 4.890 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.858 4.292 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.544 2.440 2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.429 2.260 3.622 1.00 0.00 H new ATOM 731 N ARG A 49 -4.416 6.450 -1.760 1.00 0.00 N ATOM 732 CA ARG A 49 -3.954 5.717 -2.933 1.00 0.00 C ATOM 733 C ARG A 49 -2.511 5.256 -2.752 1.00 0.00 C ATOM 734 O ARG A 49 -1.772 5.801 -1.931 1.00 0.00 O ATOM 735 CB ARG A 49 -4.068 6.590 -4.184 1.00 0.00 C ATOM 736 CG ARG A 49 -3.626 5.889 -5.458 1.00 0.00 C ATOM 737 CD ARG A 49 -3.856 6.762 -6.682 1.00 0.00 C ATOM 738 NE ARG A 49 -2.898 7.861 -6.760 1.00 0.00 N ATOM 739 CZ ARG A 49 -2.852 8.727 -7.766 1.00 0.00 C ATOM 740 NH1 ARG A 49 -3.706 8.622 -8.774 1.00 0.00 N ATOM 741 NH2 ARG A 49 -1.951 9.701 -7.765 1.00 0.00 N ATOM 0 H ARG A 49 -3.830 7.243 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.586 4.837 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.103 6.914 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.466 7.488 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.569 5.633 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.174 4.953 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.781 6.151 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.868 7.165 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.227 7.970 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.401 7.875 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.669 9.288 -9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.292 9.786 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.917 10.365 -8.538 1.00 0.00 H new ATOM 755 N LEU A 50 -2.117 4.248 -3.522 1.00 0.00 N ATOM 756 CA LEU A 50 -0.762 3.712 -3.447 1.00 0.00 C ATOM 757 C LEU A 50 0.039 4.079 -4.692 1.00 0.00 C ATOM 758 O LEU A 50 -0.522 4.252 -5.775 1.00 0.00 O ATOM 759 CB LEU A 50 -0.803 2.191 -3.283 1.00 0.00 C ATOM 760 CG LEU A 50 -1.400 1.673 -1.974 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.452 0.153 -1.976 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.596 2.179 -0.784 1.00 0.00 C ATOM 0 H LEU A 50 -2.716 3.785 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.271 4.152 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.375 1.772 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.214 1.808 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.419 2.051 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.880 -0.198 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.070 -0.189 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.443 -0.245 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.035 1.801 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.433 1.830 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.610 3.269 -0.772 1.00 0.00 H new ATOM 774 N LEU A 51 1.352 4.195 -4.531 1.00 0.00 N ATOM 775 CA LEU A 51 2.232 4.539 -5.643 1.00 0.00 C ATOM 776 C LEU A 51 3.611 3.913 -5.461 1.00 0.00 C ATOM 777 O LEU A 51 4.154 3.892 -4.356 1.00 0.00 O ATOM 778 CB LEU A 51 2.361 6.058 -5.765 1.00 0.00 C ATOM 779 CG LEU A 51 1.187 6.781 -6.425 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.343 8.288 -6.290 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.072 6.385 -7.890 1.00 0.00 C ATOM 0 H LEU A 51 1.831 4.056 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 51 1.792 4.143 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.501 6.472 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.264 6.281 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 51 0.270 6.484 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.498 8.785 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.375 8.557 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.268 8.603 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.231 6.909 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.991 6.652 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.912 5.309 -7.965 1.00 0.00 H new ATOM 793 N PHE A 52 4.173 3.404 -6.552 1.00 0.00 N ATOM 794 CA PHE A 52 5.489 2.778 -6.514 1.00 0.00 C ATOM 795 C PHE A 52 6.371 3.295 -7.646 1.00 0.00 C ATOM 796 O PHE A 52 6.121 3.018 -8.820 1.00 0.00 O ATOM 797 CB PHE A 52 5.357 1.257 -6.609 1.00 0.00 C ATOM 798 CG PHE A 52 6.631 0.524 -6.300 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.120 0.474 -5.004 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.339 -0.115 -7.305 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.292 -0.199 -4.717 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.512 -0.790 -7.024 1.00 0.00 C ATOM 803 CZ PHE A 52 8.989 -0.833 -5.728 1.00 0.00 C ATOM 0 H PHE A 52 3.737 3.413 -7.474 1.00 0.00 H new ATOM 0 HA PHE A 52 5.959 3.036 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.580 0.924 -5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.029 0.991 -7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.579 0.967 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.970 -0.085 -8.320 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.663 -0.230 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.055 -1.283 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.905 -1.361 -5.506 1.00 0.00 H new ATOM 813 N LYS A 53 7.404 4.050 -7.287 1.00 0.00 N ATOM 814 CA LYS A 53 8.324 4.607 -8.271 1.00 0.00 C ATOM 815 C LYS A 53 7.574 5.431 -9.313 1.00 0.00 C ATOM 816 O LYS A 53 8.013 5.550 -10.456 1.00 0.00 O ATOM 817 CB LYS A 53 9.108 3.486 -8.958 1.00 0.00 C ATOM 818 CG LYS A 53 10.112 2.800 -8.049 1.00 0.00 C ATOM 819 CD LYS A 53 11.021 1.864 -8.828 1.00 0.00 C ATOM 820 CE LYS A 53 11.665 0.828 -7.919 1.00 0.00 C ATOM 821 NZ LYS A 53 12.291 -0.278 -8.695 1.00 0.00 N ATOM 0 H LYS A 53 7.625 4.290 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 53 9.021 5.263 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.406 2.743 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.633 3.897 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.714 3.551 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.583 2.238 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.446 1.361 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.797 2.442 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.421 1.309 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.913 0.418 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.719 -0.963 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.565 -0.754 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.027 0.109 -9.320 1.00 0.00 H new ATOM 835 N GLY A 54 6.442 5.998 -8.909 1.00 0.00 N ATOM 836 CA GLY A 54 5.650 6.804 -9.820 1.00 0.00 C ATOM 837 C GLY A 54 4.701 5.970 -10.658 1.00 0.00 C ATOM 838 O GLY A 54 4.161 6.445 -11.657 1.00 0.00 O ATOM 0 H GLY A 54 6.059 5.914 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.078 7.536 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.316 7.363 -10.478 1.00 0.00 H new ATOM 842 N LYS A 55 4.498 4.721 -10.252 1.00 0.00 N ATOM 843 CA LYS A 55 3.609 3.817 -10.971 1.00 0.00 C ATOM 844 C LYS A 55 2.289 3.646 -10.227 1.00 0.00 C ATOM 845 O LYS A 55 2.268 3.243 -9.065 1.00 0.00 O ATOM 846 CB LYS A 55 4.279 2.455 -11.163 1.00 0.00 C ATOM 847 CG LYS A 55 3.508 1.522 -12.081 1.00 0.00 C ATOM 848 CD LYS A 55 4.419 0.479 -12.708 1.00 0.00 C ATOM 849 CE LYS A 55 5.192 1.051 -13.886 1.00 0.00 C ATOM 850 NZ LYS A 55 5.651 -0.016 -14.819 1.00 0.00 N ATOM 0 H LYS A 55 4.938 4.312 -9.428 1.00 0.00 H new ATOM 0 HA LYS A 55 3.401 4.253 -11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.279 2.606 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.398 1.978 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.719 1.025 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.022 2.102 -12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.118 0.107 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.825 -0.372 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.562 1.758 -14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.054 1.608 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.174 0.414 -15.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.273 -0.677 -14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.827 -0.531 -15.189 1.00 0.00 H new ATOM 864 N ALA A 56 1.188 3.955 -10.905 1.00 0.00 N ATOM 865 CA ALA A 56 -0.136 3.832 -10.309 1.00 0.00 C ATOM 866 C ALA A 56 -0.573 2.372 -10.238 1.00 0.00 C ATOM 867 O ALA A 56 -0.739 1.712 -11.264 1.00 0.00 O ATOM 868 CB ALA A 56 -1.148 4.649 -11.097 1.00 0.00 C ATOM 0 H ALA A 56 1.187 4.292 -11.868 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.086 4.219 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.132 4.547 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.852 5.698 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.186 4.288 -12.125 1.00 0.00 H new ATOM 874 N LEU A 57 -0.756 1.873 -9.020 1.00 0.00 N ATOM 875 CA LEU A 57 -1.173 0.490 -8.815 1.00 0.00 C ATOM 876 C LEU A 57 -2.670 0.331 -9.058 1.00 0.00 C ATOM 877 O LEU A 57 -3.450 1.252 -8.815 1.00 0.00 O ATOM 878 CB LEU A 57 -0.824 0.037 -7.396 1.00 0.00 C ATOM 879 CG LEU A 57 0.480 0.588 -6.817 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.729 0.021 -5.428 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.648 0.276 -7.740 1.00 0.00 C ATOM 0 H LEU A 57 -0.622 2.405 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.639 -0.135 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.641 0.322 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.771 -1.052 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 57 0.389 1.671 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.661 0.424 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.095 0.297 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.799 -1.065 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.567 0.676 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.741 -0.804 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.474 0.732 -8.714 1.00 0.00 H new ATOM 893 N ALA A 58 -3.065 -0.844 -9.537 1.00 0.00 N ATOM 894 CA ALA A 58 -4.469 -1.125 -9.809 1.00 0.00 C ATOM 895 C ALA A 58 -5.007 -2.195 -8.865 1.00 0.00 C ATOM 896 O ALA A 58 -4.479 -3.306 -8.805 1.00 0.00 O ATOM 897 CB ALA A 58 -4.650 -1.556 -11.257 1.00 0.00 C ATOM 0 H ALA A 58 -2.432 -1.617 -9.745 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.037 -0.210 -9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.703 -1.763 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.312 -0.759 -11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.064 -2.456 -11.445 1.00 0.00 H new ATOM 903 N ASP A 59 -6.059 -1.854 -8.129 1.00 0.00 N ATOM 904 CA ASP A 59 -6.669 -2.786 -7.188 1.00 0.00 C ATOM 905 C ASP A 59 -6.838 -4.164 -7.821 1.00 0.00 C ATOM 906 O ASP A 59 -7.093 -4.281 -9.018 1.00 0.00 O ATOM 907 CB ASP A 59 -8.025 -2.256 -6.719 1.00 0.00 C ATOM 908 CG ASP A 59 -8.871 -1.736 -7.864 1.00 0.00 C ATOM 909 OD1 ASP A 59 -8.619 -2.140 -9.018 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.783 -0.923 -7.606 1.00 0.00 O ATOM 0 H ASP A 59 -6.507 -0.939 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.007 -2.880 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.564 -3.051 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.869 -1.457 -5.995 1.00 0.00 H new ATOM 915 N GLY A 60 -6.694 -5.205 -7.006 1.00 0.00 N ATOM 916 CA GLY A 60 -6.833 -6.561 -7.505 1.00 0.00 C ATOM 917 C GLY A 60 -5.506 -7.166 -7.918 1.00 0.00 C ATOM 918 O GLY A 60 -5.213 -8.318 -7.599 1.00 0.00 O ATOM 0 H GLY A 60 -6.484 -5.134 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.288 -7.183 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.511 -6.563 -8.358 1.00 0.00 H new ATOM 922 N LYS A 61 -4.701 -6.388 -8.634 1.00 0.00 N ATOM 923 CA LYS A 61 -3.397 -6.852 -9.093 1.00 0.00 C ATOM 924 C LYS A 61 -2.526 -7.279 -7.917 1.00 0.00 C ATOM 925 O LYS A 61 -2.790 -6.912 -6.772 1.00 0.00 O ATOM 926 CB LYS A 61 -2.693 -5.752 -9.891 1.00 0.00 C ATOM 927 CG LYS A 61 -3.446 -5.330 -11.141 1.00 0.00 C ATOM 928 CD LYS A 61 -3.144 -6.251 -12.311 1.00 0.00 C ATOM 929 CE LYS A 61 -4.300 -6.295 -13.299 1.00 0.00 C ATOM 930 NZ LYS A 61 -4.558 -4.961 -13.910 1.00 0.00 N ATOM 0 H LYS A 61 -4.929 -5.433 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.554 -7.716 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.554 -4.882 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.700 -6.100 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.517 -5.334 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.175 -4.307 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.242 -5.911 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.942 -7.256 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.079 -7.018 -14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.200 -6.642 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.307 -5.046 -14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.859 -4.293 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.688 -4.611 -14.359 1.00 0.00 H new ATOM 944 N ARG A 62 -1.485 -8.054 -8.207 1.00 0.00 N ATOM 945 CA ARG A 62 -0.575 -8.529 -7.172 1.00 0.00 C ATOM 946 C ARG A 62 0.704 -7.697 -7.148 1.00 0.00 C ATOM 947 O ARG A 62 1.331 -7.473 -8.185 1.00 0.00 O ATOM 948 CB ARG A 62 -0.233 -10.003 -7.402 1.00 0.00 C ATOM 949 CG ARG A 62 -1.448 -10.916 -7.410 1.00 0.00 C ATOM 950 CD ARG A 62 -1.136 -12.252 -8.066 1.00 0.00 C ATOM 951 NE ARG A 62 -2.250 -13.190 -7.954 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.481 -13.930 -6.875 1.00 0.00 C ATOM 953 NH1 ARG A 62 -1.680 -13.842 -5.822 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.515 -14.761 -6.849 1.00 0.00 N ATOM 0 H ARG A 62 -1.251 -8.366 -9.150 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.074 -8.424 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.291 -10.102 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.454 -10.334 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.787 -11.082 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.266 -10.430 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.900 -12.093 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.249 -12.685 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.885 -13.282 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.884 -13.205 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.860 -14.411 -4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.133 -14.832 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.692 -15.329 -6.021 1.00 0.00 H new ATOM 968 N LEU A 63 1.084 -7.240 -5.960 1.00 0.00 N ATOM 969 CA LEU A 63 2.288 -6.432 -5.801 1.00 0.00 C ATOM 970 C LEU A 63 3.478 -7.085 -6.496 1.00 0.00 C ATOM 971 O LEU A 63 4.319 -6.403 -7.081 1.00 0.00 O ATOM 972 CB LEU A 63 2.597 -6.229 -4.317 1.00 0.00 C ATOM 973 CG LEU A 63 1.925 -5.029 -3.649 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.401 -4.882 -2.212 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.200 -3.757 -4.437 1.00 0.00 C ATOM 0 H LEU A 63 0.576 -7.415 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 63 2.109 -5.462 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.304 -7.130 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.676 -6.126 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 63 0.848 -5.200 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.912 -4.023 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.152 -5.783 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.481 -4.734 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.714 -2.913 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.275 -3.581 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.808 -3.864 -5.449 1.00 0.00 H new ATOM 987 N SER A 64 3.542 -8.411 -6.428 1.00 0.00 N ATOM 988 CA SER A 64 4.630 -9.157 -7.050 1.00 0.00 C ATOM 989 C SER A 64 4.728 -8.836 -8.538 1.00 0.00 C ATOM 990 O SER A 64 5.815 -8.847 -9.117 1.00 0.00 O ATOM 991 CB SER A 64 4.425 -10.660 -6.852 1.00 0.00 C ATOM 992 OG SER A 64 5.514 -11.397 -7.379 1.00 0.00 O ATOM 0 H SER A 64 2.853 -8.991 -5.948 1.00 0.00 H new ATOM 0 HA SER A 64 5.562 -8.859 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.314 -10.878 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.501 -10.972 -7.339 1.00 0.00 H new ATOM 0 HG SER A 64 5.359 -12.354 -7.239 1.00 0.00 H new ATOM 998 N ASP A 65 3.584 -8.553 -9.152 1.00 0.00 N ATOM 999 CA ASP A 65 3.539 -8.228 -10.573 1.00 0.00 C ATOM 1000 C ASP A 65 4.157 -6.859 -10.837 1.00 0.00 C ATOM 1001 O ASP A 65 4.605 -6.572 -11.948 1.00 0.00 O ATOM 1002 CB ASP A 65 2.096 -8.257 -11.079 1.00 0.00 C ATOM 1003 CG ASP A 65 2.008 -8.573 -12.559 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.349 -9.711 -12.945 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.598 -7.682 -13.332 1.00 0.00 O ATOM 0 H ASP A 65 2.676 -8.542 -8.688 1.00 0.00 H new ATOM 0 HA ASP A 65 4.119 -8.978 -11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.532 -9.002 -10.517 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.628 -7.291 -10.888 1.00 0.00 H new ATOM 1010 N TYR A 66 4.176 -6.016 -9.811 1.00 0.00 N ATOM 1011 CA TYR A 66 4.735 -4.675 -9.933 1.00 0.00 C ATOM 1012 C TYR A 66 6.226 -4.675 -9.611 1.00 0.00 C ATOM 1013 O TYR A 66 6.820 -3.625 -9.364 1.00 0.00 O ATOM 1014 CB TYR A 66 4.001 -3.707 -9.003 1.00 0.00 C ATOM 1015 CG TYR A 66 2.677 -3.227 -9.552 1.00 0.00 C ATOM 1016 CD1 TYR A 66 1.502 -3.922 -9.292 1.00 0.00 C ATOM 1017 CD2 TYR A 66 2.600 -2.079 -10.331 1.00 0.00 C ATOM 1018 CE1 TYR A 66 0.290 -3.487 -9.792 1.00 0.00 C ATOM 1019 CE2 TYR A 66 1.392 -1.636 -10.834 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.240 -2.344 -10.562 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.965 -1.907 -11.062 1.00 0.00 O ATOM 0 H TYR A 66 3.811 -6.238 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 66 4.604 -4.347 -10.964 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.831 -4.196 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.640 -2.845 -8.812 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.537 -4.817 -8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.500 -1.523 -10.547 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.614 -4.039 -9.581 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.350 -0.741 -11.437 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.826 -1.088 -11.582 1.00 0.00 H new ATOM 1031 N SER A 67 6.826 -5.861 -9.618 1.00 0.00 N ATOM 1032 CA SER A 67 8.248 -6.000 -9.324 1.00 0.00 C ATOM 1033 C SER A 67 8.582 -5.403 -7.960 1.00 0.00 C ATOM 1034 O SER A 67 9.699 -4.939 -7.730 1.00 0.00 O ATOM 1035 CB SER A 67 9.084 -5.320 -10.410 1.00 0.00 C ATOM 1036 OG SER A 67 10.465 -5.583 -10.230 1.00 0.00 O ATOM 0 H SER A 67 6.350 -6.739 -9.824 1.00 0.00 H new ATOM 0 HA SER A 67 8.487 -7.063 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.768 -5.674 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.909 -4.244 -10.388 1.00 0.00 H new ATOM 0 HG SER A 67 10.723 -5.361 -9.311 1.00 0.00 H new ATOM 1042 N ILE A 68 7.605 -5.418 -7.060 1.00 0.00 N ATOM 1043 CA ILE A 68 7.794 -4.879 -5.719 1.00 0.00 C ATOM 1044 C ILE A 68 8.142 -5.983 -4.727 1.00 0.00 C ATOM 1045 O ILE A 68 7.266 -6.709 -4.258 1.00 0.00 O ATOM 1046 CB ILE A 68 6.537 -4.139 -5.226 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.271 -2.906 -6.093 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.693 -3.742 -3.766 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.884 -2.330 -5.916 1.00 0.00 C ATOM 0 H ILE A 68 6.675 -5.797 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 68 8.621 -4.172 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 68 5.683 -4.811 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.007 -2.139 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.415 -3.171 -7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.796 -3.220 -3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.839 -4.636 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.556 -3.085 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.767 -1.459 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.141 -3.082 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.743 -2.033 -4.877 1.00 0.00 H new ATOM 1061 N GLY A 69 9.428 -6.103 -4.409 1.00 0.00 N ATOM 1062 CA GLY A 69 9.869 -7.121 -3.473 1.00 0.00 C ATOM 1063 C GLY A 69 9.664 -6.707 -2.029 1.00 0.00 C ATOM 1064 O GLY A 69 8.929 -5.767 -1.728 1.00 0.00 O ATOM 0 H GLY A 69 10.172 -5.514 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.325 -8.046 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.925 -7.332 -3.641 1.00 0.00 H new ATOM 1068 N PRO A 70 10.325 -7.421 -1.106 1.00 0.00 N ATOM 1069 CA PRO A 70 10.227 -7.142 0.330 1.00 0.00 C ATOM 1070 C PRO A 70 10.908 -5.832 0.714 1.00 0.00 C ATOM 1071 O PRO A 70 11.563 -5.198 -0.111 1.00 0.00 O ATOM 1072 CB PRO A 70 10.951 -8.329 0.972 1.00 0.00 C ATOM 1073 CG PRO A 70 11.898 -8.806 -0.074 1.00 0.00 C ATOM 1074 CD PRO A 70 11.220 -8.555 -1.392 1.00 0.00 C ATOM 0 HA PRO A 70 9.192 -7.030 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.479 -8.028 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.250 -9.113 1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.846 -8.272 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.121 -9.865 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.939 -8.312 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.665 -9.429 -1.731 1.00 0.00 H new ATOM 1082 N ASN A 71 10.748 -5.434 1.972 1.00 0.00 N ATOM 1083 CA ASN A 71 11.348 -4.200 2.465 1.00 0.00 C ATOM 1084 C ASN A 71 11.203 -3.078 1.441 1.00 0.00 C ATOM 1085 O ASN A 71 12.144 -2.324 1.194 1.00 0.00 O ATOM 1086 CB ASN A 71 12.826 -4.421 2.791 1.00 0.00 C ATOM 1087 CG ASN A 71 13.026 -5.150 4.105 1.00 0.00 C ATOM 1088 OD1 ASN A 71 12.498 -4.742 5.140 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.792 -6.234 4.070 1.00 0.00 N ATOM 0 H ASN A 71 10.208 -5.948 2.668 1.00 0.00 H new ATOM 0 HA ASN A 71 10.823 -3.908 3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.291 -4.992 1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.334 -3.458 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.963 -6.765 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.209 -6.535 3.189 1.00 0.00 H new ATOM 1096 N SER A 72 10.018 -2.974 0.848 1.00 0.00 N ATOM 1097 CA SER A 72 9.751 -1.947 -0.152 1.00 0.00 C ATOM 1098 C SER A 72 8.876 -0.840 0.427 1.00 0.00 C ATOM 1099 O SER A 72 7.778 -1.094 0.923 1.00 0.00 O ATOM 1100 CB SER A 72 9.070 -2.562 -1.377 1.00 0.00 C ATOM 1101 OG SER A 72 10.018 -3.181 -2.229 1.00 0.00 O ATOM 0 H SER A 72 9.228 -3.588 1.043 1.00 0.00 H new ATOM 0 HA SER A 72 10.704 -1.513 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.331 -3.296 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.533 -1.788 -1.926 1.00 0.00 H new ATOM 0 HG SER A 72 9.853 -4.147 -2.255 1.00 0.00 H new ATOM 1107 N LYS A 73 9.370 0.392 0.361 1.00 0.00 N ATOM 1108 CA LYS A 73 8.635 1.541 0.877 1.00 0.00 C ATOM 1109 C LYS A 73 7.679 2.093 -0.176 1.00 0.00 C ATOM 1110 O LYS A 73 8.108 2.618 -1.204 1.00 0.00 O ATOM 1111 CB LYS A 73 9.607 2.635 1.323 1.00 0.00 C ATOM 1112 CG LYS A 73 10.312 2.326 2.632 1.00 0.00 C ATOM 1113 CD LYS A 73 11.228 3.463 3.054 1.00 0.00 C ATOM 1114 CE LYS A 73 10.445 4.609 3.676 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.004 4.291 5.062 1.00 0.00 N ATOM 0 H LYS A 73 10.277 0.620 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 73 8.050 1.211 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.355 2.785 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.062 3.573 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.572 2.146 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.893 1.410 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.963 3.093 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.781 3.827 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.063 5.507 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.574 4.830 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.625 5.149 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.264 3.560 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.814 3.941 5.612 1.00 0.00 H new ATOM 1129 N LEU A 74 6.383 1.971 0.087 1.00 0.00 N ATOM 1130 CA LEU A 74 5.366 2.460 -0.838 1.00 0.00 C ATOM 1131 C LEU A 74 5.005 3.910 -0.534 1.00 0.00 C ATOM 1132 O LEU A 74 5.245 4.402 0.568 1.00 0.00 O ATOM 1133 CB LEU A 74 4.114 1.584 -0.759 1.00 0.00 C ATOM 1134 CG LEU A 74 4.091 0.362 -1.678 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.267 -0.757 -1.059 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.544 0.734 -3.048 1.00 0.00 C ATOM 0 H LEU A 74 6.011 1.538 0.932 1.00 0.00 H new ATOM 0 HA LEU A 74 5.774 2.411 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.998 1.242 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.247 2.203 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 74 5.114 0.006 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.262 -1.618 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.703 -1.043 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.245 -0.413 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.535 -0.148 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.529 1.116 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.176 1.501 -3.496 1.00 0.00 H new ATOM 1148 N ASN A 75 4.425 4.589 -1.518 1.00 0.00 N ATOM 1149 CA ASN A 75 4.029 5.983 -1.355 1.00 0.00 C ATOM 1150 C ASN A 75 2.510 6.117 -1.323 1.00 0.00 C ATOM 1151 O ASN A 75 1.809 5.559 -2.169 1.00 0.00 O ATOM 1152 CB ASN A 75 4.604 6.834 -2.490 1.00 0.00 C ATOM 1153 CG ASN A 75 5.985 7.371 -2.168 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.556 7.060 -1.122 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.529 8.181 -3.068 1.00 0.00 N ATOM 0 H ASN A 75 4.219 4.197 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 75 4.427 6.339 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.653 6.236 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.931 7.667 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.457 8.573 -2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.019 8.411 -3.921 1.00 0.00 H new ATOM 1162 N LEU A 76 2.008 6.861 -0.344 1.00 0.00 N ATOM 1163 CA LEU A 76 0.571 7.069 -0.201 1.00 0.00 C ATOM 1164 C LEU A 76 0.181 8.482 -0.624 1.00 0.00 C ATOM 1165 O LEU A 76 0.913 9.440 -0.375 1.00 0.00 O ATOM 1166 CB LEU A 76 0.141 6.821 1.246 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.347 6.543 1.465 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.728 5.189 0.889 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.689 6.610 2.947 1.00 0.00 C ATOM 0 H LEU A 76 2.574 7.330 0.363 1.00 0.00 H new ATOM 0 HA LEU A 76 0.060 6.360 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.709 5.975 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.419 7.691 1.841 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.921 7.310 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.790 5.009 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.520 5.177 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.147 4.408 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.752 6.410 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.106 5.865 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.454 7.603 3.330 1.00 0.00 H new ATOM 1181 N VAL A 77 -0.977 8.604 -1.265 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.466 9.900 -1.720 1.00 0.00 C ATOM 1183 C VAL A 77 -2.886 10.156 -1.227 1.00 0.00 C ATOM 1184 O VAL A 77 -3.724 9.254 -1.220 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.443 10.000 -3.257 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.483 11.456 -3.698 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.215 9.298 -3.818 1.00 0.00 C ATOM 0 H VAL A 77 -1.594 7.821 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.798 10.654 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.329 9.502 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.466 11.507 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.395 11.924 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.617 11.982 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.215 9.378 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.685 9.766 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.235 8.246 -3.532 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.149 11.391 -0.814 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.468 11.767 -0.319 1.00 0.00 C ATOM 1199 C VAL A 78 -5.283 12.465 -1.403 1.00 0.00 C ATOM 1200 O VAL A 78 -4.851 13.469 -1.970 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.365 12.693 0.907 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -5.750 13.105 1.383 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -3.589 12.013 2.024 1.00 0.00 C ATOM 0 H VAL A 78 -2.466 12.149 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.971 10.845 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.824 13.594 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.657 13.759 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.267 13.634 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.319 12.217 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.526 12.682 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.100 11.095 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.584 11.774 1.676 1.00 0.00 H new