USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 901 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 56 ASN : amide:sc= 0.194 K(o=1.4,f=0.15) USER MOD Set 1.2: A 62 TYR OH : rot 1:sc= 1.19 USER MOD Set 2.1: A 20 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 GLN : amide:sc= -2.19! K(o=-4!,f=0) USER MOD Set 3.2: A 106 GLN : amide:sc= -1.84! K(o=-4!,f=0.78) USER MOD Single : A 6 SER OG : rot -22:sc= 0.446 USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= -1.16 (180deg=-3.17!) USER MOD Single : A 15 THR OG1 : rot 89:sc= 0.957 USER MOD Single : A 22 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.537) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.29) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.22) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= -0.371 (180deg=-1.79!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 147:sc= -0.132 (180deg=-1.18) USER MOD Single : A 52 THR OG1 : rot 57:sc= 0.962 USER MOD Single : A 53 MET CE :methyl -160:sc= -0.419 (180deg=-1.36!) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.0395 (180deg=-0.269) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.899 X(o=-0.9,f=-1.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -5.92! C(o=-5.9!,f=-16!) USER MOD Single : A 79 CYS SG : rot -140:sc= 0.768 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= -2.3! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -41:sc= -0.127 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.868 K(o=-0.87,f=-6!) USER MOD Single : A 110 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.39) USER MOD Single : A 113 LYS NZ :NH3+ 144:sc= -0.699 (180deg=-2.32!) USER MOD Single : A 114 MET CE :methyl -121:sc= -3.13! (180deg=-5.47!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.408 20.165 2.098 1.00 0.00 N ATOM 49 CA SER A 6 -0.275 19.416 3.343 1.00 0.00 C ATOM 50 C SER A 6 -1.484 18.513 3.565 1.00 0.00 C ATOM 51 O SER A 6 -1.349 17.298 3.699 1.00 0.00 O ATOM 52 CB SER A 6 -0.117 20.376 4.524 1.00 0.00 C ATOM 53 OG SER A 6 -0.872 21.559 4.326 1.00 0.00 O ATOM 0 HA SER A 6 0.615 18.791 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.440 19.884 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.935 20.630 4.652 1.00 0.00 H new ATOM 0 HG SER A 6 -1.051 21.677 3.370 1.00 0.00 H new ATOM 59 N GLY A 7 -2.669 19.118 3.602 1.00 0.00 N ATOM 60 CA GLY A 7 -3.885 18.354 3.808 1.00 0.00 C ATOM 61 C GLY A 7 -3.837 16.994 3.139 1.00 0.00 C ATOM 62 O GLY A 7 -4.214 15.987 3.738 1.00 0.00 O ATOM 0 H GLY A 7 -2.807 20.123 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.051 18.224 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.734 18.917 3.420 1.00 0.00 H new ATOM 66 N PHE A 8 -3.373 16.965 1.894 1.00 0.00 N ATOM 67 CA PHE A 8 -3.279 15.720 1.142 1.00 0.00 C ATOM 68 C PHE A 8 -2.433 14.695 1.891 1.00 0.00 C ATOM 69 O PHE A 8 -2.780 13.515 1.957 1.00 0.00 O ATOM 70 CB PHE A 8 -2.680 15.979 -0.242 1.00 0.00 C ATOM 71 CG PHE A 8 -2.382 14.723 -1.010 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.410 13.957 -1.537 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.075 14.310 -1.207 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.139 12.801 -2.244 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.797 13.154 -1.913 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.831 12.399 -2.434 1.00 0.00 C ATOM 0 H PHE A 8 -3.056 17.790 1.385 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.286 15.319 1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.371 16.593 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.761 16.554 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.434 14.267 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.263 14.898 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.949 12.212 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.227 12.841 -2.057 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.617 11.497 -2.988 1.00 0.00 H new ATOM 86 N LEU A 9 -1.321 15.153 2.454 1.00 0.00 N ATOM 87 CA LEU A 9 -0.422 14.277 3.199 1.00 0.00 C ATOM 88 C LEU A 9 -1.179 13.516 4.283 1.00 0.00 C ATOM 89 O LEU A 9 -1.147 12.286 4.328 1.00 0.00 O ATOM 90 CB LEU A 9 0.710 15.090 3.828 1.00 0.00 C ATOM 91 CG LEU A 9 1.577 15.895 2.858 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.660 16.650 3.611 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.193 14.981 1.809 1.00 0.00 C ATOM 0 H LEU A 9 -1.019 16.126 2.409 1.00 0.00 H new ATOM 0 HA LEU A 9 0.002 13.555 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.277 15.778 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.356 14.408 4.382 1.00 0.00 H new ATOM 0 HG LEU A 9 0.942 16.621 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.267 17.217 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.199 17.334 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.293 15.942 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.806 15.571 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.814 14.231 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.401 14.486 1.248 1.00 0.00 H new ATOM 105 N ILE A 10 -1.860 14.255 5.151 1.00 0.00 N ATOM 106 CA ILE A 10 -2.628 13.649 6.232 1.00 0.00 C ATOM 107 C ILE A 10 -3.499 12.509 5.716 1.00 0.00 C ATOM 108 O ILE A 10 -3.523 11.421 6.293 1.00 0.00 O ATOM 109 CB ILE A 10 -3.523 14.686 6.936 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.668 15.666 7.742 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.532 13.989 7.838 1.00 0.00 C ATOM 112 CD1 ILE A 10 -2.240 16.884 6.953 1.00 0.00 C ATOM 0 H ILE A 10 -1.896 15.274 5.127 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.907 13.256 6.949 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.069 15.248 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.229 15.990 8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.780 15.148 8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.157 14.735 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.158 13.327 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.004 13.405 8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.637 17.535 7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.651 16.571 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.123 17.425 6.612 1.00 0.00 H new ATOM 124 N LEU A 11 -4.212 12.764 4.625 1.00 0.00 N ATOM 125 CA LEU A 11 -5.085 11.759 4.029 1.00 0.00 C ATOM 126 C LEU A 11 -4.347 10.436 3.848 1.00 0.00 C ATOM 127 O LEU A 11 -4.910 9.363 4.071 1.00 0.00 O ATOM 128 CB LEU A 11 -5.613 12.250 2.679 1.00 0.00 C ATOM 129 CG LEU A 11 -6.525 11.282 1.923 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.792 11.011 2.720 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.865 11.835 0.547 1.00 0.00 C ATOM 0 H LEU A 11 -4.203 13.658 4.135 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.925 11.596 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.158 13.180 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.761 12.487 2.042 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.994 10.339 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.429 10.321 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.530 10.571 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.327 11.947 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.514 11.134 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.376 12.791 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.948 11.977 -0.025 1.00 0.00 H new ATOM 143 N LEU A 12 -3.084 10.519 3.446 1.00 0.00 N ATOM 144 CA LEU A 12 -2.267 9.329 3.237 1.00 0.00 C ATOM 145 C LEU A 12 -1.814 8.740 4.570 1.00 0.00 C ATOM 146 O LEU A 12 -1.788 7.522 4.745 1.00 0.00 O ATOM 147 CB LEU A 12 -1.049 9.666 2.375 1.00 0.00 C ATOM 148 CG LEU A 12 -1.330 10.456 1.097 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.029 10.913 0.456 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.143 9.619 0.120 1.00 0.00 C ATOM 0 H LEU A 12 -2.603 11.399 3.258 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.875 8.587 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.345 10.235 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.554 8.734 2.101 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.912 11.339 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.248 11.474 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.516 11.550 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.579 10.043 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.334 10.198 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.587 8.717 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.092 9.342 0.580 1.00 0.00 H new ATOM 162 N ARG A 13 -1.459 9.613 5.507 1.00 0.00 N ATOM 163 CA ARG A 13 -1.007 9.180 6.823 1.00 0.00 C ATOM 164 C ARG A 13 -2.140 8.505 7.591 1.00 0.00 C ATOM 165 O ARG A 13 -1.908 7.605 8.400 1.00 0.00 O ATOM 166 CB ARG A 13 -0.475 10.371 7.622 1.00 0.00 C ATOM 167 CG ARG A 13 0.474 11.258 6.832 1.00 0.00 C ATOM 168 CD ARG A 13 1.394 12.047 7.752 1.00 0.00 C ATOM 169 NE ARG A 13 0.764 13.274 8.233 1.00 0.00 N ATOM 170 CZ ARG A 13 1.319 14.081 9.131 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.507 13.791 9.642 1.00 0.00 N ATOM 172 NH2 ARG A 13 0.684 15.179 9.519 1.00 0.00 N ATOM 0 H ARG A 13 -1.476 10.625 5.379 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.203 8.457 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.317 10.971 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.040 10.002 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.071 10.644 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.100 11.946 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.676 11.426 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.313 12.295 7.220 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.151 13.525 7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.997 12.947 9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.931 14.412 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.231 15.404 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.110 15.798 10.208 1.00 0.00 H new ATOM 186 N LYS A 14 -3.367 8.945 7.334 1.00 0.00 N ATOM 187 CA LYS A 14 -4.537 8.385 8.000 1.00 0.00 C ATOM 188 C LYS A 14 -5.079 7.186 7.228 1.00 0.00 C ATOM 189 O LYS A 14 -5.627 6.252 7.814 1.00 0.00 O ATOM 190 CB LYS A 14 -5.627 9.449 8.142 1.00 0.00 C ATOM 191 CG LYS A 14 -6.562 9.526 6.946 1.00 0.00 C ATOM 192 CD LYS A 14 -7.759 8.606 7.115 1.00 0.00 C ATOM 193 CE LYS A 14 -8.741 9.152 8.140 1.00 0.00 C ATOM 194 NZ LYS A 14 -8.436 8.664 9.514 1.00 0.00 N ATOM 0 H LYS A 14 -3.577 9.689 6.668 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.234 8.050 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.212 9.240 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.157 10.421 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.906 10.552 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.019 9.256 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.263 8.483 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.419 7.618 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.712 10.242 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.754 8.857 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.316 8.361 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.779 7.859 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.999 9.430 10.066 1.00 0.00 H new ATOM 208 N THR A 15 -4.923 7.217 5.907 1.00 0.00 N ATOM 209 CA THR A 15 -5.396 6.134 5.055 1.00 0.00 C ATOM 210 C THR A 15 -4.519 4.895 5.201 1.00 0.00 C ATOM 211 O THR A 15 -5.019 3.773 5.273 1.00 0.00 O ATOM 212 CB THR A 15 -5.426 6.556 3.575 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.493 7.486 3.351 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.605 5.346 2.670 1.00 0.00 C ATOM 0 H THR A 15 -4.472 7.982 5.405 1.00 0.00 H new ATOM 0 HA THR A 15 -6.410 5.898 5.379 1.00 0.00 H new ATOM 0 HB THR A 15 -4.474 7.031 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.171 8.398 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.623 5.670 1.629 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.777 4.654 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.544 4.847 2.911 1.00 0.00 H new ATOM 222 N LEU A 16 -3.209 5.108 5.247 1.00 0.00 N ATOM 223 CA LEU A 16 -2.260 4.008 5.387 1.00 0.00 C ATOM 224 C LEU A 16 -2.577 3.168 6.620 1.00 0.00 C ATOM 225 O LEU A 16 -2.477 1.942 6.589 1.00 0.00 O ATOM 226 CB LEU A 16 -0.832 4.547 5.476 1.00 0.00 C ATOM 227 CG LEU A 16 0.246 3.534 5.860 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.428 2.505 4.755 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.562 4.240 6.154 1.00 0.00 C ATOM 0 H LEU A 16 -2.779 6.031 5.190 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.347 3.373 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.568 4.980 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.816 5.358 6.204 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.075 3.016 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.199 1.792 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.511 1.977 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.727 3.008 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.318 3.503 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.888 4.785 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.424 4.939 6.979 1.00 0.00 H new ATOM 241 N GLU A 17 -2.962 3.837 7.702 1.00 0.00 N ATOM 242 CA GLU A 17 -3.295 3.152 8.945 1.00 0.00 C ATOM 243 C GLU A 17 -4.543 2.290 8.774 1.00 0.00 C ATOM 244 O GLU A 17 -4.586 1.146 9.227 1.00 0.00 O ATOM 245 CB GLU A 17 -3.512 4.166 10.070 1.00 0.00 C ATOM 246 CG GLU A 17 -2.244 4.888 10.491 1.00 0.00 C ATOM 247 CD GLU A 17 -2.311 5.399 11.917 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.248 4.569 12.847 1.00 0.00 O ATOM 249 OE2 GLU A 17 -2.424 6.629 12.103 1.00 0.00 O ATOM 0 H GLU A 17 -3.051 4.852 7.743 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.459 2.503 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.249 4.902 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.932 3.652 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.395 4.212 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.066 5.726 9.817 1.00 0.00 H new ATOM 256 N GLN A 18 -5.555 2.848 8.118 1.00 0.00 N ATOM 257 CA GLN A 18 -6.804 2.132 7.887 1.00 0.00 C ATOM 258 C GLN A 18 -6.544 0.788 7.215 1.00 0.00 C ATOM 259 O GLN A 18 -7.159 -0.221 7.565 1.00 0.00 O ATOM 260 CB GLN A 18 -7.747 2.973 7.025 1.00 0.00 C ATOM 261 CG GLN A 18 -8.324 4.177 7.752 1.00 0.00 C ATOM 262 CD GLN A 18 -9.634 4.649 7.150 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.705 4.153 7.499 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.553 5.614 6.242 1.00 0.00 N ATOM 0 H GLN A 18 -5.535 3.794 7.737 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.273 1.950 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.209 3.316 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.565 2.343 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.481 3.923 8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.602 4.993 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.643 5.996 5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.401 5.974 5.803 1.00 0.00 H new ATOM 273 N LEU A 19 -5.632 0.781 6.250 1.00 0.00 N ATOM 274 CA LEU A 19 -5.291 -0.440 5.529 1.00 0.00 C ATOM 275 C LEU A 19 -4.772 -1.511 6.484 1.00 0.00 C ATOM 276 O LEU A 19 -5.221 -2.655 6.450 1.00 0.00 O ATOM 277 CB LEU A 19 -4.242 -0.145 4.455 1.00 0.00 C ATOM 278 CG LEU A 19 -4.675 0.798 3.333 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.462 1.409 2.651 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.543 0.062 2.324 1.00 0.00 C ATOM 0 H LEU A 19 -5.115 1.607 5.948 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.196 -0.815 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.364 0.280 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.933 -1.090 4.009 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.264 1.605 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.790 2.077 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.880 1.972 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.845 0.616 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.842 0.749 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.979 -0.765 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.431 -0.326 2.823 1.00 0.00 H new ATOM 292 N GLN A 20 -3.826 -1.128 7.335 1.00 0.00 N ATOM 293 CA GLN A 20 -3.247 -2.055 8.301 1.00 0.00 C ATOM 294 C GLN A 20 -4.337 -2.851 9.010 1.00 0.00 C ATOM 295 O GLN A 20 -4.260 -4.076 9.108 1.00 0.00 O ATOM 296 CB GLN A 20 -2.403 -1.297 9.325 1.00 0.00 C ATOM 297 CG GLN A 20 -1.208 -0.579 8.719 1.00 0.00 C ATOM 298 CD GLN A 20 -0.070 -0.401 9.705 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.267 0.721 10.084 1.00 0.00 O ATOM 300 NE2 GLN A 20 0.525 -1.509 10.128 1.00 0.00 N ATOM 0 H GLN A 20 -3.444 -0.183 7.376 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.607 -2.752 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.033 -0.568 9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.050 -1.997 10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.851 -1.141 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.523 0.399 8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.212 -2.418 9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.295 -1.452 10.794 1.00 0.00 H new ATOM 309 N GLU A 21 -5.350 -2.147 9.505 1.00 0.00 N ATOM 310 CA GLU A 21 -6.455 -2.790 10.208 1.00 0.00 C ATOM 311 C GLU A 21 -6.816 -4.120 9.553 1.00 0.00 C ATOM 312 O GLU A 21 -7.024 -5.125 10.234 1.00 0.00 O ATOM 313 CB GLU A 21 -7.677 -1.871 10.231 1.00 0.00 C ATOM 314 CG GLU A 21 -7.449 -0.573 10.986 1.00 0.00 C ATOM 315 CD GLU A 21 -7.269 -0.787 12.476 1.00 0.00 C ATOM 316 OE1 GLU A 21 -7.983 -1.641 13.042 1.00 0.00 O ATOM 317 OE2 GLU A 21 -6.415 -0.103 13.076 1.00 0.00 O ATOM 0 H GLU A 21 -5.429 -1.133 9.433 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.137 -2.984 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.966 -1.639 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.513 -2.403 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.566 -0.075 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.295 0.094 10.818 1.00 0.00 H new ATOM 324 N LYS A 22 -6.889 -4.118 8.226 1.00 0.00 N ATOM 325 CA LYS A 22 -7.225 -5.323 7.477 1.00 0.00 C ATOM 326 C LYS A 22 -6.214 -6.433 7.749 1.00 0.00 C ATOM 327 O LYS A 22 -6.583 -7.597 7.908 1.00 0.00 O ATOM 328 CB LYS A 22 -7.272 -5.019 5.978 1.00 0.00 C ATOM 329 CG LYS A 22 -8.113 -3.803 5.630 1.00 0.00 C ATOM 330 CD LYS A 22 -9.573 -4.013 5.992 1.00 0.00 C ATOM 331 CE LYS A 22 -10.299 -2.688 6.169 1.00 0.00 C ATOM 332 NZ LYS A 22 -10.123 -2.138 7.541 1.00 0.00 N ATOM 0 H LYS A 22 -6.720 -3.295 7.647 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.208 -5.662 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.256 -4.863 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.669 -5.887 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.728 -2.930 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.028 -3.594 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.062 -4.596 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.641 -4.592 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.926 -1.969 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.361 -2.826 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.015 -1.709 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.855 -2.905 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.375 -1.415 7.532 1.00 0.00 H new ATOM 346 N ASP A 23 -4.939 -6.065 7.803 1.00 0.00 N ATOM 347 CA ASP A 23 -3.875 -7.029 8.059 1.00 0.00 C ATOM 348 C ASP A 23 -3.808 -7.384 9.541 1.00 0.00 C ATOM 349 O ASP A 23 -3.224 -6.652 10.341 1.00 0.00 O ATOM 350 CB ASP A 23 -2.528 -6.471 7.595 1.00 0.00 C ATOM 351 CG ASP A 23 -1.480 -7.552 7.428 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.863 -8.727 7.252 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.275 -7.224 7.473 1.00 0.00 O ATOM 0 H ASP A 23 -4.617 -5.106 7.673 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.098 -7.935 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.661 -5.949 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.175 -5.735 8.317 1.00 0.00 H new ATOM 358 N THR A 24 -4.412 -8.512 9.903 1.00 0.00 N ATOM 359 CA THR A 24 -4.423 -8.963 11.288 1.00 0.00 C ATOM 360 C THR A 24 -3.161 -9.751 11.620 1.00 0.00 C ATOM 361 O THR A 24 -2.674 -9.713 12.750 1.00 0.00 O ATOM 362 CB THR A 24 -5.654 -9.841 11.583 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.599 -11.041 10.803 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.941 -9.090 11.276 1.00 0.00 C ATOM 0 H THR A 24 -4.900 -9.130 9.255 1.00 0.00 H new ATOM 0 HA THR A 24 -4.465 -8.069 11.911 1.00 0.00 H new ATOM 0 HB THR A 24 -5.644 -10.096 12.643 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.384 -11.594 10.998 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.796 -9.730 11.492 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.995 -8.193 11.892 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.956 -8.808 10.223 1.00 0.00 H new ATOM 372 N GLY A 25 -2.635 -10.463 10.629 1.00 0.00 N ATOM 373 CA GLY A 25 -1.433 -11.248 10.837 1.00 0.00 C ATOM 374 C GLY A 25 -0.172 -10.411 10.761 1.00 0.00 C ATOM 375 O GLY A 25 0.906 -10.862 11.146 1.00 0.00 O ATOM 0 H GLY A 25 -3.020 -10.510 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.484 -11.734 11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.386 -12.039 10.089 1.00 0.00 H new ATOM 379 N ASN A 26 -0.305 -9.187 10.259 1.00 0.00 N ATOM 380 CA ASN A 26 0.832 -8.285 10.131 1.00 0.00 C ATOM 381 C ASN A 26 1.945 -8.927 9.308 1.00 0.00 C ATOM 382 O ASN A 26 3.124 -8.824 9.651 1.00 0.00 O ATOM 383 CB ASN A 26 1.363 -7.899 11.513 1.00 0.00 C ATOM 384 CG ASN A 26 0.260 -7.806 12.551 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.085 -8.711 13.368 1.00 0.00 O ATOM 386 ND2 ASN A 26 -0.489 -6.711 12.521 1.00 0.00 N ATOM 0 H ASN A 26 -1.190 -8.798 9.934 1.00 0.00 H new ATOM 0 HA ASN A 26 0.494 -7.386 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.100 -8.635 11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.878 -6.940 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.247 -6.593 13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.307 -5.987 11.826 1.00 0.00 H new ATOM 393 N ILE A 27 1.564 -9.588 8.221 1.00 0.00 N ATOM 394 CA ILE A 27 2.529 -10.245 7.348 1.00 0.00 C ATOM 395 C ILE A 27 3.267 -9.230 6.482 1.00 0.00 C ATOM 396 O ILE A 27 4.455 -9.385 6.201 1.00 0.00 O ATOM 397 CB ILE A 27 1.848 -11.283 6.436 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.076 -12.302 7.276 1.00 0.00 C ATOM 399 CG2 ILE A 27 2.882 -11.982 5.565 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.299 -13.302 6.448 1.00 0.00 C ATOM 0 H ILE A 27 0.593 -9.683 7.923 1.00 0.00 H new ATOM 0 HA ILE A 27 3.243 -10.755 7.994 1.00 0.00 H new ATOM 0 HB ILE A 27 1.142 -10.766 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.776 -12.838 7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.386 -11.772 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.386 -12.712 4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.393 -11.246 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.609 -12.489 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.224 -13.993 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.426 -12.775 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.986 -13.859 5.811 1.00 0.00 H new ATOM 412 N PHE A 28 2.554 -8.190 6.061 1.00 0.00 N ATOM 413 CA PHE A 28 3.141 -7.148 5.227 1.00 0.00 C ATOM 414 C PHE A 28 3.545 -5.941 6.069 1.00 0.00 C ATOM 415 O PHE A 28 4.235 -5.041 5.591 1.00 0.00 O ATOM 416 CB PHE A 28 2.152 -6.718 4.141 1.00 0.00 C ATOM 417 CG PHE A 28 1.314 -7.846 3.613 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.117 -8.183 4.226 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.721 -8.570 2.503 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.656 -9.222 3.742 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.952 -9.609 2.015 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.238 -9.935 2.635 1.00 0.00 C ATOM 0 H PHE A 28 1.569 -8.047 6.284 1.00 0.00 H new ATOM 0 HA PHE A 28 4.035 -7.555 4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.496 -5.946 4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.704 -6.269 3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.215 -7.628 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.650 -8.319 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.586 -9.476 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.281 -10.165 1.150 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.841 -10.746 2.255 1.00 0.00 H new ATOM 432 N SER A 29 3.110 -5.930 7.325 1.00 0.00 N ATOM 433 CA SER A 29 3.422 -4.832 8.232 1.00 0.00 C ATOM 434 C SER A 29 4.926 -4.574 8.275 1.00 0.00 C ATOM 435 O SER A 29 5.370 -3.499 8.678 1.00 0.00 O ATOM 436 CB SER A 29 2.907 -5.143 9.639 1.00 0.00 C ATOM 437 OG SER A 29 2.593 -3.953 10.342 1.00 0.00 O ATOM 0 H SER A 29 2.541 -6.669 7.737 1.00 0.00 H new ATOM 0 HA SER A 29 2.927 -3.935 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.021 -5.775 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.661 -5.706 10.189 1.00 0.00 H new ATOM 0 HG SER A 29 2.265 -4.179 11.237 1.00 0.00 H new ATOM 443 N GLU A 30 5.703 -5.568 7.857 1.00 0.00 N ATOM 444 CA GLU A 30 7.156 -5.449 7.848 1.00 0.00 C ATOM 445 C GLU A 30 7.729 -5.866 6.497 1.00 0.00 C ATOM 446 O GLU A 30 7.148 -6.676 5.772 1.00 0.00 O ATOM 447 CB GLU A 30 7.767 -6.305 8.959 1.00 0.00 C ATOM 448 CG GLU A 30 6.990 -6.253 10.264 1.00 0.00 C ATOM 449 CD GLU A 30 7.793 -6.773 11.441 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.453 -7.822 11.292 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.760 -6.132 12.512 1.00 0.00 O ATOM 0 H GLU A 30 5.351 -6.464 7.520 1.00 0.00 H new ATOM 0 HA GLU A 30 7.409 -4.403 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.823 -7.339 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.789 -5.974 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.687 -5.225 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.078 -6.841 10.163 1.00 0.00 H new ATOM 458 N PRO A 31 8.893 -5.300 6.147 1.00 0.00 N ATOM 459 CA PRO A 31 9.569 -5.598 4.881 1.00 0.00 C ATOM 460 C PRO A 31 10.133 -7.014 4.845 1.00 0.00 C ATOM 461 O PRO A 31 9.987 -7.777 5.800 1.00 0.00 O ATOM 462 CB PRO A 31 10.703 -4.570 4.834 1.00 0.00 C ATOM 463 CG PRO A 31 10.967 -4.232 6.261 1.00 0.00 C ATOM 464 CD PRO A 31 9.640 -4.327 6.961 1.00 0.00 C ATOM 0 HA PRO A 31 8.888 -5.541 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.591 -4.982 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.413 -3.687 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.689 -4.922 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.386 -3.230 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.752 -4.667 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.135 -3.362 6.997 1.00 0.00 H new ATOM 472 N VAL A 32 10.780 -7.360 3.735 1.00 0.00 N ATOM 473 CA VAL A 32 11.368 -8.685 3.575 1.00 0.00 C ATOM 474 C VAL A 32 12.884 -8.601 3.440 1.00 0.00 C ATOM 475 O VAL A 32 13.418 -7.918 2.564 1.00 0.00 O ATOM 476 CB VAL A 32 10.794 -9.408 2.343 1.00 0.00 C ATOM 477 CG1 VAL A 32 11.464 -10.762 2.157 1.00 0.00 C ATOM 478 CG2 VAL A 32 9.286 -9.564 2.472 1.00 0.00 C ATOM 0 H VAL A 32 10.910 -6.741 2.934 1.00 0.00 H new ATOM 0 HA VAL A 32 11.117 -9.253 4.471 1.00 0.00 H new ATOM 0 HB VAL A 32 11.000 -8.803 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.045 -11.258 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.536 -10.621 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.292 -11.378 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.897 -10.077 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.055 -10.147 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.824 -8.580 2.552 1.00 0.00 H new ATOM 488 N PRO A 33 13.598 -9.310 4.328 1.00 0.00 N ATOM 489 CA PRO A 33 15.063 -9.332 4.327 1.00 0.00 C ATOM 490 C PRO A 33 15.632 -10.079 3.125 1.00 0.00 C ATOM 491 O PRO A 33 15.486 -11.297 3.013 1.00 0.00 O ATOM 492 CB PRO A 33 15.407 -10.068 5.626 1.00 0.00 C ATOM 493 CG PRO A 33 14.215 -10.916 5.907 1.00 0.00 C ATOM 494 CD PRO A 33 13.029 -10.145 5.398 1.00 0.00 C ATOM 0 HA PRO A 33 15.485 -8.329 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.306 -10.674 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.596 -9.368 6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.296 -11.881 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.121 -11.116 6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.251 -10.808 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.577 -9.539 6.183 1.00 0.00 H new ATOM 502 N LEU A 34 16.279 -9.342 2.229 1.00 0.00 N ATOM 503 CA LEU A 34 16.871 -9.936 1.035 1.00 0.00 C ATOM 504 C LEU A 34 17.903 -10.995 1.407 1.00 0.00 C ATOM 505 O LEU A 34 18.076 -11.985 0.696 1.00 0.00 O ATOM 506 CB LEU A 34 17.522 -8.853 0.173 1.00 0.00 C ATOM 507 CG LEU A 34 16.571 -7.839 -0.463 1.00 0.00 C ATOM 508 CD1 LEU A 34 17.333 -6.893 -1.379 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.466 -8.551 -1.229 1.00 0.00 C ATOM 0 H LEU A 34 16.407 -8.333 2.306 1.00 0.00 H new ATOM 0 HA LEU A 34 16.075 -10.416 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.241 -8.311 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.086 -9.340 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 34 16.113 -7.251 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.639 -6.179 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.087 -6.357 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.819 -7.465 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.799 -7.813 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.906 -9.165 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.901 -9.186 -0.546 1.00 0.00 H new ATOM 521 N SER A 35 18.585 -10.781 2.528 1.00 0.00 N ATOM 522 CA SER A 35 19.602 -11.717 2.995 1.00 0.00 C ATOM 523 C SER A 35 19.026 -13.123 3.128 1.00 0.00 C ATOM 524 O SER A 35 19.732 -14.114 2.950 1.00 0.00 O ATOM 525 CB SER A 35 20.171 -11.257 4.338 1.00 0.00 C ATOM 526 OG SER A 35 21.035 -10.146 4.172 1.00 0.00 O ATOM 0 H SER A 35 18.452 -9.968 3.130 1.00 0.00 H new ATOM 0 HA SER A 35 20.405 -11.740 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.355 -10.990 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.714 -12.078 4.807 1.00 0.00 H new ATOM 0 HG SER A 35 21.384 -9.870 5.045 1.00 0.00 H new ATOM 532 N GLU A 36 17.736 -13.200 3.444 1.00 0.00 N ATOM 533 CA GLU A 36 17.064 -14.485 3.603 1.00 0.00 C ATOM 534 C GLU A 36 16.402 -14.917 2.298 1.00 0.00 C ATOM 535 O GLU A 36 16.344 -16.105 1.982 1.00 0.00 O ATOM 536 CB GLU A 36 16.019 -14.404 4.717 1.00 0.00 C ATOM 537 CG GLU A 36 16.602 -14.039 6.073 1.00 0.00 C ATOM 538 CD GLU A 36 17.888 -14.782 6.374 1.00 0.00 C ATOM 539 OE1 GLU A 36 17.856 -16.030 6.418 1.00 0.00 O ATOM 540 OE2 GLU A 36 18.928 -14.117 6.565 1.00 0.00 O ATOM 0 H GLU A 36 17.136 -12.389 3.595 1.00 0.00 H new ATOM 0 HA GLU A 36 17.814 -15.228 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.266 -13.665 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.510 -15.364 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.790 -12.966 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.870 -14.258 6.850 1.00 0.00 H new ATOM 547 N VAL A 37 15.901 -13.943 1.545 1.00 0.00 N ATOM 548 CA VAL A 37 15.241 -14.220 0.274 1.00 0.00 C ATOM 549 C VAL A 37 15.950 -13.517 -0.878 1.00 0.00 C ATOM 550 O VAL A 37 15.575 -12.419 -1.292 1.00 0.00 O ATOM 551 CB VAL A 37 13.765 -13.782 0.300 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.931 -14.661 -0.619 1.00 0.00 C ATOM 553 CG2 VAL A 37 13.224 -13.816 1.721 1.00 0.00 C ATOM 0 H VAL A 37 15.940 -12.954 1.793 1.00 0.00 H new ATOM 0 HA VAL A 37 15.288 -15.298 0.121 1.00 0.00 H new ATOM 0 HB VAL A 37 13.702 -12.756 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.891 -14.337 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.306 -14.579 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.998 -15.698 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.180 -13.503 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.299 -14.830 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.805 -13.139 2.348 1.00 0.00 H new ATOM 563 N PRO A 38 16.998 -14.163 -1.410 1.00 0.00 N ATOM 564 CA PRO A 38 17.781 -13.617 -2.524 1.00 0.00 C ATOM 565 C PRO A 38 16.997 -13.606 -3.832 1.00 0.00 C ATOM 566 O PRO A 38 17.160 -12.706 -4.656 1.00 0.00 O ATOM 567 CB PRO A 38 18.972 -14.573 -2.622 1.00 0.00 C ATOM 568 CG PRO A 38 18.478 -15.855 -2.044 1.00 0.00 C ATOM 569 CD PRO A 38 17.500 -15.474 -0.967 1.00 0.00 C ATOM 0 HA PRO A 38 18.064 -12.578 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.292 -14.702 -3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.831 -14.194 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.999 -16.468 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.301 -16.441 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.695 -16.204 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.981 -15.411 0.009 1.00 0.00 H new ATOM 577 N ASP A 39 16.148 -14.610 -4.016 1.00 0.00 N ATOM 578 CA ASP A 39 15.338 -14.715 -5.224 1.00 0.00 C ATOM 579 C ASP A 39 14.134 -13.781 -5.155 1.00 0.00 C ATOM 580 O ASP A 39 13.289 -13.774 -6.050 1.00 0.00 O ATOM 581 CB ASP A 39 14.868 -16.157 -5.426 1.00 0.00 C ATOM 582 CG ASP A 39 16.018 -17.146 -5.426 1.00 0.00 C ATOM 583 OD1 ASP A 39 16.382 -17.635 -4.337 1.00 0.00 O ATOM 584 OD2 ASP A 39 16.553 -17.431 -6.519 1.00 0.00 O ATOM 0 H ASP A 39 16.002 -15.363 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 39 15.956 -14.420 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.165 -16.421 -4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.329 -16.231 -6.370 1.00 0.00 H new ATOM 589 N TYR A 40 14.064 -12.994 -4.087 1.00 0.00 N ATOM 590 CA TYR A 40 12.962 -12.058 -3.898 1.00 0.00 C ATOM 591 C TYR A 40 12.769 -11.189 -5.137 1.00 0.00 C ATOM 592 O TYR A 40 11.732 -11.252 -5.799 1.00 0.00 O ATOM 593 CB TYR A 40 13.220 -11.174 -2.677 1.00 0.00 C ATOM 594 CG TYR A 40 12.027 -10.335 -2.274 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.789 -10.919 -2.041 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.141 -8.958 -2.127 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.697 -10.157 -1.674 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.054 -8.189 -1.759 1.00 0.00 C ATOM 599 CZ TYR A 40 9.835 -8.792 -1.533 1.00 0.00 C ATOM 600 OH TYR A 40 8.750 -8.029 -1.166 1.00 0.00 O ATOM 0 H TYR A 40 14.757 -12.986 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 40 12.052 -12.635 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.510 -11.805 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.063 -10.515 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.678 -11.988 -2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.094 -8.482 -2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.741 -10.627 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.159 -7.120 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 40 9.016 -7.087 -1.110 1.00 0.00 H new ATOM 610 N LEU A 41 13.774 -10.378 -5.446 1.00 0.00 N ATOM 611 CA LEU A 41 13.717 -9.496 -6.606 1.00 0.00 C ATOM 612 C LEU A 41 13.722 -10.299 -7.902 1.00 0.00 C ATOM 613 O LEU A 41 13.002 -9.976 -8.848 1.00 0.00 O ATOM 614 CB LEU A 41 14.897 -8.523 -6.591 1.00 0.00 C ATOM 615 CG LEU A 41 15.110 -7.746 -5.291 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.461 -7.049 -5.302 1.00 0.00 C ATOM 617 CD2 LEU A 41 13.989 -6.739 -5.082 1.00 0.00 C ATOM 0 H LEU A 41 14.639 -10.313 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 41 12.787 -8.930 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.806 -9.083 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.762 -7.806 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 41 15.096 -8.452 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.595 -6.501 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.253 -7.791 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.505 -6.354 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.157 -6.195 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.971 -6.036 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.035 -7.263 -5.029 1.00 0.00 H new ATOM 629 N ASP A 42 14.537 -11.348 -7.939 1.00 0.00 N ATOM 630 CA ASP A 42 14.633 -12.200 -9.118 1.00 0.00 C ATOM 631 C ASP A 42 13.265 -12.389 -9.765 1.00 0.00 C ATOM 632 O ASP A 42 13.157 -12.533 -10.984 1.00 0.00 O ATOM 633 CB ASP A 42 15.226 -13.559 -8.744 1.00 0.00 C ATOM 634 CG ASP A 42 15.234 -14.529 -9.910 1.00 0.00 C ATOM 635 OD1 ASP A 42 14.139 -14.919 -10.364 1.00 0.00 O ATOM 636 OD2 ASP A 42 16.337 -14.897 -10.368 1.00 0.00 O ATOM 0 H ASP A 42 15.140 -11.628 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 42 15.290 -11.711 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.245 -13.420 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.653 -13.988 -7.922 1.00 0.00 H new ATOM 641 N HIS A 43 12.221 -12.388 -8.943 1.00 0.00 N ATOM 642 CA HIS A 43 10.859 -12.559 -9.436 1.00 0.00 C ATOM 643 C HIS A 43 10.056 -11.273 -9.272 1.00 0.00 C ATOM 644 O HIS A 43 9.194 -10.958 -10.094 1.00 0.00 O ATOM 645 CB HIS A 43 10.166 -13.704 -8.695 1.00 0.00 C ATOM 646 CG HIS A 43 10.806 -15.040 -8.925 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.169 -16.077 -9.571 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.033 -15.502 -8.592 1.00 0.00 C ATOM 649 CE1 HIS A 43 10.976 -17.122 -9.625 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.115 -16.798 -9.038 1.00 0.00 N ATOM 0 H HIS A 43 12.292 -12.271 -7.932 1.00 0.00 H new ATOM 0 HA HIS A 43 10.911 -12.801 -10.497 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.168 -13.488 -7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.123 -13.751 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.805 -14.954 -8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.744 -18.077 -10.072 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.923 -17.411 -8.933 1.00 0.00 H new ATOM 659 N ILE A 44 10.342 -10.534 -8.205 1.00 0.00 N ATOM 660 CA ILE A 44 9.646 -9.282 -7.934 1.00 0.00 C ATOM 661 C ILE A 44 10.315 -8.115 -8.652 1.00 0.00 C ATOM 662 O ILE A 44 11.508 -7.867 -8.479 1.00 0.00 O ATOM 663 CB ILE A 44 9.597 -8.981 -6.425 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.793 -10.059 -5.693 1.00 0.00 C ATOM 665 CG2 ILE A 44 8.994 -7.606 -6.179 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.583 -10.538 -6.463 1.00 0.00 C ATOM 0 H ILE A 44 11.051 -10.781 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 44 8.628 -9.399 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 44 10.615 -8.986 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.443 -10.909 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.468 -9.667 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.966 -7.407 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.602 -6.848 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.981 -7.576 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.062 -11.301 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.912 -9.699 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.902 -10.961 -7.416 1.00 0.00 H new ATOM 678 N LYS A 45 9.537 -7.401 -9.459 1.00 0.00 N ATOM 679 CA LYS A 45 10.052 -6.257 -10.201 1.00 0.00 C ATOM 680 C LYS A 45 10.140 -5.022 -9.310 1.00 0.00 C ATOM 681 O LYS A 45 11.180 -4.369 -9.236 1.00 0.00 O ATOM 682 CB LYS A 45 9.160 -5.964 -11.411 1.00 0.00 C ATOM 683 CG LYS A 45 9.198 -7.050 -12.472 1.00 0.00 C ATOM 684 CD LYS A 45 10.488 -7.004 -13.270 1.00 0.00 C ATOM 685 CE LYS A 45 10.400 -6.010 -14.419 1.00 0.00 C ATOM 686 NZ LYS A 45 10.766 -4.632 -13.989 1.00 0.00 N ATOM 0 H LYS A 45 8.548 -7.595 -9.615 1.00 0.00 H new ATOM 0 HA LYS A 45 11.056 -6.504 -10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.132 -5.835 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.468 -5.019 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.097 -8.026 -11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.349 -6.933 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.313 -6.730 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.709 -7.996 -13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.062 -6.327 -15.225 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.387 -6.008 -14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.275 -4.152 -14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.903 -4.099 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.377 -4.681 -13.149 1.00 0.00 H new ATOM 700 N LYS A 46 9.040 -4.709 -8.632 1.00 0.00 N ATOM 701 CA LYS A 46 8.992 -3.555 -7.742 1.00 0.00 C ATOM 702 C LYS A 46 8.415 -3.939 -6.384 1.00 0.00 C ATOM 703 O LYS A 46 7.204 -3.898 -6.163 1.00 0.00 O ATOM 704 CB LYS A 46 8.153 -2.438 -8.368 1.00 0.00 C ATOM 705 CG LYS A 46 7.787 -1.333 -7.391 1.00 0.00 C ATOM 706 CD LYS A 46 8.900 -0.306 -7.269 1.00 0.00 C ATOM 707 CE LYS A 46 8.389 1.002 -6.683 1.00 0.00 C ATOM 708 NZ LYS A 46 7.880 1.921 -7.739 1.00 0.00 N ATOM 0 H LYS A 46 8.170 -5.239 -8.682 1.00 0.00 H new ATOM 0 HA LYS A 46 10.011 -3.197 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.704 -2.006 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.239 -2.867 -8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.872 -0.842 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.581 -1.765 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.695 -0.703 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.335 -0.121 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.593 0.793 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.192 1.491 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.541 2.801 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.646 2.141 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.097 1.464 -8.249 1.00 0.00 H new ATOM 722 N PRO A 47 9.299 -4.321 -5.451 1.00 0.00 N ATOM 723 CA PRO A 47 8.900 -4.718 -4.097 1.00 0.00 C ATOM 724 C PRO A 47 8.391 -3.540 -3.274 1.00 0.00 C ATOM 725 O PRO A 47 8.663 -2.383 -3.595 1.00 0.00 O ATOM 726 CB PRO A 47 10.192 -5.273 -3.494 1.00 0.00 C ATOM 727 CG PRO A 47 11.284 -4.598 -4.251 1.00 0.00 C ATOM 728 CD PRO A 47 10.757 -4.394 -5.644 1.00 0.00 C ATOM 0 HA PRO A 47 8.078 -5.433 -4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.257 -5.056 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.246 -6.356 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.548 -3.646 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.187 -5.208 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.149 -3.481 -6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.034 -5.217 -6.303 1.00 0.00 H new ATOM 736 N MET A 48 7.653 -3.840 -2.211 1.00 0.00 N ATOM 737 CA MET A 48 7.108 -2.805 -1.340 1.00 0.00 C ATOM 738 C MET A 48 6.542 -3.413 -0.061 1.00 0.00 C ATOM 739 O MET A 48 6.338 -4.624 0.025 1.00 0.00 O ATOM 740 CB MET A 48 6.018 -2.018 -2.070 1.00 0.00 C ATOM 741 CG MET A 48 5.524 -0.806 -1.297 1.00 0.00 C ATOM 742 SD MET A 48 6.860 0.303 -0.813 1.00 0.00 S ATOM 743 CE MET A 48 7.622 0.627 -2.401 1.00 0.00 C ATOM 0 H MET A 48 7.418 -4.792 -1.931 1.00 0.00 H new ATOM 0 HA MET A 48 7.918 -2.127 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.402 -1.691 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.175 -2.680 -2.270 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.806 -0.258 -1.908 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.994 -1.140 -0.405 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.018 1.642 -2.414 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.434 -0.081 -2.566 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.878 0.518 -3.190 1.00 0.00 H new ATOM 753 N ASP A 49 6.290 -2.566 0.930 1.00 0.00 N ATOM 754 CA ASP A 49 5.747 -3.019 2.205 1.00 0.00 C ATOM 755 C ASP A 49 5.064 -1.872 2.944 1.00 0.00 C ATOM 756 O ASP A 49 5.181 -0.710 2.552 1.00 0.00 O ATOM 757 CB ASP A 49 6.857 -3.613 3.074 1.00 0.00 C ATOM 758 CG ASP A 49 8.191 -2.924 2.862 1.00 0.00 C ATOM 759 OD1 ASP A 49 8.735 -3.017 1.742 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.690 -2.292 3.816 1.00 0.00 O ATOM 0 H ASP A 49 6.453 -1.561 0.875 1.00 0.00 H new ATOM 0 HA ASP A 49 5.003 -3.790 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.574 -3.534 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.960 -4.675 2.850 1.00 0.00 H new ATOM 765 N PHE A 50 4.350 -2.206 4.014 1.00 0.00 N ATOM 766 CA PHE A 50 3.647 -1.204 4.807 1.00 0.00 C ATOM 767 C PHE A 50 4.628 -0.209 5.420 1.00 0.00 C ATOM 768 O PHE A 50 4.334 0.981 5.531 1.00 0.00 O ATOM 769 CB PHE A 50 2.830 -1.879 5.911 1.00 0.00 C ATOM 770 CG PHE A 50 1.470 -2.331 5.459 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.618 -1.456 4.802 1.00 0.00 C ATOM 772 CD2 PHE A 50 1.045 -3.628 5.691 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.633 -1.870 4.385 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.205 -4.046 5.275 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.046 -3.165 4.623 1.00 0.00 C ATOM 0 H PHE A 50 4.243 -3.162 4.352 1.00 0.00 H new ATOM 0 HA PHE A 50 2.972 -0.661 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.384 -2.739 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.715 -1.185 6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.935 -0.441 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.697 -4.320 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.287 -1.180 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.524 -5.061 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.024 -3.489 4.300 1.00 0.00 H new ATOM 785 N PHE A 51 5.794 -0.706 5.818 1.00 0.00 N ATOM 786 CA PHE A 51 6.819 0.138 6.423 1.00 0.00 C ATOM 787 C PHE A 51 7.526 0.977 5.363 1.00 0.00 C ATOM 788 O PHE A 51 7.500 2.208 5.409 1.00 0.00 O ATOM 789 CB PHE A 51 7.838 -0.721 7.174 1.00 0.00 C ATOM 790 CG PHE A 51 9.195 -0.084 7.281 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.497 0.761 8.335 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.169 -0.332 6.326 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.744 1.349 8.437 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.418 0.251 6.422 1.00 0.00 C ATOM 795 CZ PHE A 51 11.705 1.095 7.478 1.00 0.00 C ATOM 0 H PHE A 51 6.053 -1.689 5.733 1.00 0.00 H new ATOM 0 HA PHE A 51 6.332 0.811 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.461 -0.925 8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.935 -1.682 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.749 0.963 9.087 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.949 -0.989 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.966 2.006 9.265 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.169 0.047 5.673 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.679 1.555 7.553 1.00 0.00 H new ATOM 805 N THR A 52 8.160 0.303 4.408 1.00 0.00 N ATOM 806 CA THR A 52 8.876 0.986 3.338 1.00 0.00 C ATOM 807 C THR A 52 8.057 2.144 2.780 1.00 0.00 C ATOM 808 O THR A 52 8.512 3.288 2.767 1.00 0.00 O ATOM 809 CB THR A 52 9.225 0.019 2.190 1.00 0.00 C ATOM 810 OG1 THR A 52 10.282 -0.859 2.593 1.00 0.00 O ATOM 811 CG2 THR A 52 9.643 0.786 0.945 1.00 0.00 C ATOM 0 H THR A 52 8.192 -0.715 4.354 1.00 0.00 H new ATOM 0 HA THR A 52 9.798 1.373 3.771 1.00 0.00 H new ATOM 0 HB THR A 52 8.336 -0.567 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.014 -1.345 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.885 0.082 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.826 1.431 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.519 1.395 1.170 1.00 0.00 H new ATOM 819 N MET A 53 6.848 1.841 2.321 1.00 0.00 N ATOM 820 CA MET A 53 5.965 2.859 1.764 1.00 0.00 C ATOM 821 C MET A 53 5.841 4.048 2.710 1.00 0.00 C ATOM 822 O MET A 53 5.926 5.202 2.290 1.00 0.00 O ATOM 823 CB MET A 53 4.582 2.268 1.483 1.00 0.00 C ATOM 824 CG MET A 53 3.769 2.003 2.740 1.00 0.00 C ATOM 825 SD MET A 53 2.126 1.354 2.380 1.00 0.00 S ATOM 826 CE MET A 53 1.589 2.482 1.096 1.00 0.00 C ATOM 0 H MET A 53 6.457 0.899 2.324 1.00 0.00 H new ATOM 0 HA MET A 53 6.399 3.207 0.827 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.028 2.951 0.839 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.699 1.335 0.932 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.305 1.295 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.674 2.928 3.308 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.502 2.452 1.017 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.907 3.494 1.345 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.031 2.187 0.144 1.00 0.00 H new ATOM 836 N LYS A 54 5.638 3.760 3.991 1.00 0.00 N ATOM 837 CA LYS A 54 5.502 4.805 4.999 1.00 0.00 C ATOM 838 C LYS A 54 6.667 5.786 4.926 1.00 0.00 C ATOM 839 O LYS A 54 6.467 7.000 4.887 1.00 0.00 O ATOM 840 CB LYS A 54 5.429 4.187 6.398 1.00 0.00 C ATOM 841 CG LYS A 54 4.725 5.068 7.415 1.00 0.00 C ATOM 842 CD LYS A 54 5.422 6.409 7.569 1.00 0.00 C ATOM 843 CE LYS A 54 5.251 6.968 8.974 1.00 0.00 C ATOM 844 NZ LYS A 54 6.012 6.180 9.981 1.00 0.00 N ATOM 0 H LYS A 54 5.564 2.810 4.356 1.00 0.00 H new ATOM 0 HA LYS A 54 4.579 5.349 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.910 3.230 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.440 3.979 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.692 5.227 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.695 4.560 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.483 6.296 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.019 7.115 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.586 8.005 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.193 6.970 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.170 6.761 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.470 5.331 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.929 5.897 9.580 1.00 0.00 H new ATOM 858 N GLN A 55 7.885 5.252 4.906 1.00 0.00 N ATOM 859 CA GLN A 55 9.082 6.082 4.836 1.00 0.00 C ATOM 860 C GLN A 55 9.001 7.057 3.667 1.00 0.00 C ATOM 861 O GLN A 55 9.230 8.255 3.827 1.00 0.00 O ATOM 862 CB GLN A 55 10.328 5.206 4.701 1.00 0.00 C ATOM 863 CG GLN A 55 10.485 4.193 5.823 1.00 0.00 C ATOM 864 CD GLN A 55 11.158 4.779 7.048 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.306 5.221 6.989 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.445 4.787 8.168 1.00 0.00 N ATOM 0 H GLN A 55 8.068 4.249 4.937 1.00 0.00 H new ATOM 0 HA GLN A 55 9.150 6.657 5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.289 4.677 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.210 5.846 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.503 3.809 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.068 3.345 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.497 4.410 8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.845 5.170 9.025 1.00 0.00 H new ATOM 875 N ASN A 56 8.673 6.535 2.489 1.00 0.00 N ATOM 876 CA ASN A 56 8.563 7.360 1.291 1.00 0.00 C ATOM 877 C ASN A 56 7.489 8.429 1.464 1.00 0.00 C ATOM 878 O ASN A 56 7.659 9.570 1.032 1.00 0.00 O ATOM 879 CB ASN A 56 8.241 6.488 0.075 1.00 0.00 C ATOM 880 CG ASN A 56 9.251 5.375 -0.123 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.386 5.461 0.346 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.842 4.322 -0.822 1.00 0.00 N ATOM 0 H ASN A 56 8.479 5.545 2.339 1.00 0.00 H new ATOM 0 HA ASN A 56 9.521 7.856 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.247 6.056 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.212 7.112 -0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.478 3.542 -0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.892 4.293 -1.192 1.00 0.00 H new ATOM 889 N LEU A 57 6.384 8.052 2.097 1.00 0.00 N ATOM 890 CA LEU A 57 5.281 8.979 2.329 1.00 0.00 C ATOM 891 C LEU A 57 5.729 10.151 3.197 1.00 0.00 C ATOM 892 O LEU A 57 5.418 11.305 2.905 1.00 0.00 O ATOM 893 CB LEU A 57 4.110 8.253 2.994 1.00 0.00 C ATOM 894 CG LEU A 57 2.964 9.139 3.483 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.645 8.384 3.425 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.236 9.631 4.897 1.00 0.00 C ATOM 0 H LEU A 57 6.227 7.111 2.459 1.00 0.00 H new ATOM 0 HA LEU A 57 4.957 9.369 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.707 7.530 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.494 7.687 3.843 1.00 0.00 H new ATOM 0 HG LEU A 57 2.894 10.005 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.840 9.030 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.444 8.081 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.704 7.500 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.410 10.260 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.333 8.777 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.160 10.209 4.910 1.00 0.00 H new ATOM 908 N GLU A 58 6.460 9.845 4.264 1.00 0.00 N ATOM 909 CA GLU A 58 6.951 10.874 5.173 1.00 0.00 C ATOM 910 C GLU A 58 7.971 11.772 4.480 1.00 0.00 C ATOM 911 O GLU A 58 8.188 12.912 4.887 1.00 0.00 O ATOM 912 CB GLU A 58 7.577 10.234 6.414 1.00 0.00 C ATOM 913 CG GLU A 58 6.559 9.819 7.464 1.00 0.00 C ATOM 914 CD GLU A 58 7.134 9.830 8.868 1.00 0.00 C ATOM 915 OE1 GLU A 58 8.045 9.023 9.143 1.00 0.00 O ATOM 916 OE2 GLU A 58 6.670 10.648 9.690 1.00 0.00 O ATOM 0 H GLU A 58 6.725 8.894 4.520 1.00 0.00 H new ATOM 0 HA GLU A 58 6.103 11.487 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.151 9.359 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.280 10.937 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.702 10.492 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.191 8.819 7.233 1.00 0.00 H new ATOM 923 N ALA A 59 8.596 11.246 3.431 1.00 0.00 N ATOM 924 CA ALA A 59 9.592 11.999 2.679 1.00 0.00 C ATOM 925 C ALA A 59 8.941 12.820 1.571 1.00 0.00 C ATOM 926 O ALA A 59 9.621 13.328 0.680 1.00 0.00 O ATOM 927 CB ALA A 59 10.636 11.058 2.097 1.00 0.00 C ATOM 0 H ALA A 59 8.430 10.302 3.083 1.00 0.00 H new ATOM 0 HA ALA A 59 10.082 12.689 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.374 11.634 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.132 10.520 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.152 10.345 1.430 1.00 0.00 H new ATOM 933 N TYR A 60 7.620 12.946 1.634 1.00 0.00 N ATOM 934 CA TYR A 60 6.876 13.703 0.635 1.00 0.00 C ATOM 935 C TYR A 60 7.129 13.152 -0.765 1.00 0.00 C ATOM 936 O TYR A 60 7.317 13.909 -1.718 1.00 0.00 O ATOM 937 CB TYR A 60 7.264 15.182 0.691 1.00 0.00 C ATOM 938 CG TYR A 60 6.680 15.917 1.876 1.00 0.00 C ATOM 939 CD1 TYR A 60 6.921 15.483 3.175 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.887 17.043 1.699 1.00 0.00 C ATOM 941 CE1 TYR A 60 6.390 16.151 4.261 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.352 17.718 2.779 1.00 0.00 C ATOM 943 CZ TYR A 60 5.606 17.268 4.058 1.00 0.00 C ATOM 944 OH TYR A 60 5.074 17.936 5.136 1.00 0.00 O ATOM 0 H TYR A 60 7.043 12.533 2.367 1.00 0.00 H new ATOM 0 HA TYR A 60 5.814 13.605 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.351 15.263 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.935 15.670 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.534 14.609 3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.685 17.397 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.587 15.801 5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.738 18.593 2.623 1.00 0.00 H new ATOM 0 HH TYR A 60 4.548 18.700 4.820 1.00 0.00 H new ATOM 954 N ARG A 61 7.134 11.828 -0.882 1.00 0.00 N ATOM 955 CA ARG A 61 7.364 11.174 -2.164 1.00 0.00 C ATOM 956 C ARG A 61 6.047 10.930 -2.894 1.00 0.00 C ATOM 957 O ARG A 61 6.013 10.843 -4.122 1.00 0.00 O ATOM 958 CB ARG A 61 8.100 9.848 -1.959 1.00 0.00 C ATOM 959 CG ARG A 61 9.526 10.014 -1.461 1.00 0.00 C ATOM 960 CD ARG A 61 10.401 8.841 -1.876 1.00 0.00 C ATOM 961 NE ARG A 61 11.811 9.080 -1.584 1.00 0.00 N ATOM 962 CZ ARG A 61 12.780 8.222 -1.883 1.00 0.00 C ATOM 963 NH1 ARG A 61 12.490 7.073 -2.480 1.00 0.00 N ATOM 964 NH2 ARG A 61 14.040 8.510 -1.585 1.00 0.00 N ATOM 0 H ARG A 61 6.981 11.187 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 61 7.981 11.833 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.544 9.240 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.115 9.301 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.945 10.940 -1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.525 10.102 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.071 7.941 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.278 8.657 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 61 12.066 9.954 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.522 6.848 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.235 6.415 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.267 9.392 -1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.782 7.850 -1.816 1.00 0.00 H new ATOM 978 N TYR A 62 4.965 10.820 -2.131 1.00 0.00 N ATOM 979 CA TYR A 62 3.646 10.584 -2.706 1.00 0.00 C ATOM 980 C TYR A 62 2.823 11.868 -2.730 1.00 0.00 C ATOM 981 O TYR A 62 2.398 12.368 -1.688 1.00 0.00 O ATOM 982 CB TYR A 62 2.906 9.507 -1.909 1.00 0.00 C ATOM 983 CG TYR A 62 3.678 8.213 -1.779 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.240 7.601 -2.892 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.845 7.603 -0.542 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.945 6.418 -2.778 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.550 6.421 -0.418 1.00 0.00 C ATOM 988 CZ TYR A 62 5.097 5.833 -1.539 1.00 0.00 C ATOM 989 OH TYR A 62 5.800 4.655 -1.420 1.00 0.00 O ATOM 0 H TYR A 62 4.975 10.890 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 62 3.781 10.242 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.686 9.891 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.950 9.303 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.124 8.058 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.417 8.060 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.374 5.955 -3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.672 5.960 0.551 1.00 0.00 H new ATOM 0 HH TYR A 62 6.134 4.383 -2.300 1.00 0.00 H new ATOM 999 N LEU A 63 2.602 12.398 -3.928 1.00 0.00 N ATOM 1000 CA LEU A 63 1.829 13.625 -4.092 1.00 0.00 C ATOM 1001 C LEU A 63 0.475 13.334 -4.729 1.00 0.00 C ATOM 1002 O LEU A 63 -0.477 14.095 -4.560 1.00 0.00 O ATOM 1003 CB LEU A 63 2.605 14.628 -4.948 1.00 0.00 C ATOM 1004 CG LEU A 63 4.084 14.803 -4.603 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.877 15.203 -5.838 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.255 15.837 -3.499 1.00 0.00 C ATOM 0 H LEU A 63 2.947 11.998 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 63 1.659 14.054 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.530 14.320 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.116 15.599 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 63 4.469 13.849 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.927 15.323 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.781 14.428 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.492 16.145 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.314 15.949 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.854 16.794 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.720 15.509 -2.608 1.00 0.00 H new ATOM 1018 N ASN A 64 0.396 12.227 -5.460 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.843 11.835 -6.122 1.00 0.00 C ATOM 1020 C ASN A 64 -1.309 10.466 -5.637 1.00 0.00 C ATOM 1021 O ASN A 64 -0.520 9.525 -5.547 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.650 11.812 -7.639 1.00 0.00 C ATOM 1023 CG ASN A 64 0.290 12.901 -8.119 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.020 14.088 -8.029 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.447 12.499 -8.633 1.00 0.00 N ATOM 0 H ASN A 64 1.175 11.586 -5.609 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.608 12.570 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.258 10.840 -7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.617 11.930 -8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.120 13.186 -8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.662 11.503 -8.688 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.597 10.362 -5.325 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.169 9.107 -4.848 1.00 0.00 C ATOM 1034 C PHE A 65 -2.632 7.925 -5.650 1.00 0.00 C ATOM 1035 O PHE A 65 -2.080 6.979 -5.088 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.695 9.150 -4.942 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.382 8.247 -3.957 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.610 6.915 -4.261 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -5.800 8.732 -2.728 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.241 6.082 -3.357 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.431 7.903 -1.820 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.653 6.576 -2.135 1.00 0.00 C ATOM 0 H PHE A 65 -3.264 11.131 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.879 8.977 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.032 10.174 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.997 8.870 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.291 6.523 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.631 9.769 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.412 5.045 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.750 8.292 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.147 5.927 -1.427 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.798 7.988 -6.967 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.330 6.923 -7.848 1.00 0.00 C ATOM 1054 C ASP A 66 -1.027 6.323 -7.330 1.00 0.00 C ATOM 1055 O ASP A 66 -0.879 5.103 -7.256 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.132 7.458 -9.267 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.446 7.738 -9.968 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.282 8.467 -9.394 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -3.639 7.228 -11.093 1.00 0.00 O ATOM 0 H ASP A 66 -3.253 8.764 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.087 6.139 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.542 8.374 -9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.560 6.735 -9.848 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.083 7.189 -6.974 1.00 0.00 N ATOM 1065 CA ASP A 67 1.208 6.743 -6.463 1.00 0.00 C ATOM 1066 C ASP A 67 1.045 6.010 -5.136 1.00 0.00 C ATOM 1067 O ASP A 67 1.463 4.860 -4.994 1.00 0.00 O ATOM 1068 CB ASP A 67 2.149 7.937 -6.288 1.00 0.00 C ATOM 1069 CG ASP A 67 2.930 8.249 -7.550 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.993 7.629 -7.759 1.00 0.00 O ATOM 1071 OD2 ASP A 67 2.478 9.116 -8.328 1.00 0.00 O ATOM 0 H ASP A 67 -0.188 8.202 -7.030 1.00 0.00 H new ATOM 0 HA ASP A 67 1.639 6.052 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.569 8.813 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.845 7.731 -5.475 1.00 0.00 H new ATOM 1076 N PHE A 68 0.434 6.681 -4.166 1.00 0.00 N ATOM 1077 CA PHE A 68 0.216 6.094 -2.849 1.00 0.00 C ATOM 1078 C PHE A 68 -0.469 4.735 -2.965 1.00 0.00 C ATOM 1079 O PHE A 68 -0.350 3.890 -2.079 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.628 7.030 -1.982 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.018 6.434 -0.659 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.181 6.547 0.439 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.221 5.762 -0.515 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.537 5.998 1.657 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.582 5.212 0.701 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.740 5.332 1.788 1.00 0.00 C ATOM 0 H PHE A 68 0.081 7.632 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 68 1.189 5.952 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.071 7.950 -1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.531 7.303 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.759 7.069 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.884 5.667 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.125 6.090 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.522 4.689 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.021 4.906 2.740 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.185 4.534 -4.067 1.00 0.00 N ATOM 1097 CA GLU A 69 -1.890 3.277 -4.299 1.00 0.00 C ATOM 1098 C GLU A 69 -0.987 2.269 -5.003 1.00 0.00 C ATOM 1099 O GLU A 69 -0.974 1.087 -4.659 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.149 3.522 -5.135 1.00 0.00 C ATOM 1101 CG GLU A 69 -3.834 2.243 -5.589 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.096 2.510 -6.386 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.162 2.700 -5.765 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -5.016 2.528 -7.633 1.00 0.00 O ATOM 0 H GLU A 69 -1.292 5.223 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.178 2.866 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.853 4.115 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.884 4.114 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.142 1.660 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.081 1.638 -4.717 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.233 2.744 -5.989 1.00 0.00 N ATOM 1112 CA GLU A 70 0.672 1.884 -6.742 1.00 0.00 C ATOM 1113 C GLU A 70 1.568 1.083 -5.802 1.00 0.00 C ATOM 1114 O GLU A 70 1.740 -0.125 -5.971 1.00 0.00 O ATOM 1115 CB GLU A 70 1.531 2.718 -7.694 1.00 0.00 C ATOM 1116 CG GLU A 70 2.507 1.893 -8.514 1.00 0.00 C ATOM 1117 CD GLU A 70 2.920 2.584 -9.799 1.00 0.00 C ATOM 1118 OE1 GLU A 70 3.059 3.825 -9.787 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.105 1.884 -10.817 1.00 0.00 O ATOM 0 H GLU A 70 -0.231 3.720 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 70 0.069 1.187 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.878 3.270 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.088 3.455 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.394 1.686 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.053 0.931 -8.753 1.00 0.00 H new ATOM 1126 N ASP A 71 2.136 1.763 -4.813 1.00 0.00 N ATOM 1127 CA ASP A 71 3.013 1.115 -3.844 1.00 0.00 C ATOM 1128 C ASP A 71 2.276 0.008 -3.097 1.00 0.00 C ATOM 1129 O ASP A 71 2.780 -1.107 -2.961 1.00 0.00 O ATOM 1130 CB ASP A 71 3.560 2.142 -2.852 1.00 0.00 C ATOM 1131 CG ASP A 71 4.271 3.291 -3.539 1.00 0.00 C ATOM 1132 OD1 ASP A 71 3.579 4.200 -4.044 1.00 0.00 O ATOM 1133 OD2 ASP A 71 5.518 3.282 -3.572 1.00 0.00 O ATOM 0 H ASP A 71 2.005 2.763 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 71 3.846 0.668 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.740 2.534 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.250 1.649 -2.167 1.00 0.00 H new ATOM 1138 N PHE A 72 1.079 0.324 -2.613 1.00 0.00 N ATOM 1139 CA PHE A 72 0.273 -0.643 -1.877 1.00 0.00 C ATOM 1140 C PHE A 72 -0.060 -1.849 -2.750 1.00 0.00 C ATOM 1141 O PHE A 72 -0.060 -2.986 -2.281 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.017 0.013 -1.379 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.038 -0.973 -0.886 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -2.943 -1.550 -1.764 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.094 -1.323 0.453 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -3.884 -2.456 -1.313 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.032 -2.230 0.909 1.00 0.00 C ATOM 1148 CZ PHE A 72 -3.927 -2.797 0.025 1.00 0.00 C ATOM 0 H PHE A 72 0.646 1.242 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 72 0.853 -0.986 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.775 0.707 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.452 0.601 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.912 -1.289 -2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.396 -0.882 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.585 -2.897 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.064 -2.495 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.660 -3.507 0.379 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.345 -1.591 -4.021 1.00 0.00 N ATOM 1159 CA ASN A 73 -0.681 -2.656 -4.960 1.00 0.00 C ATOM 1160 C ASN A 73 0.361 -3.768 -4.918 1.00 0.00 C ATOM 1161 O ASN A 73 0.025 -4.945 -4.781 1.00 0.00 O ATOM 1162 CB ASN A 73 -0.789 -2.097 -6.381 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.099 -1.372 -6.620 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.132 -1.735 -6.058 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.061 -0.342 -7.456 1.00 0.00 N ATOM 0 H ASN A 73 -0.350 -0.655 -4.425 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.644 -3.074 -4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.040 -1.413 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.693 -2.913 -7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.911 0.185 -7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.181 -0.077 -7.899 1.00 0.00 H new ATOM 1172 N LEU A 74 1.629 -3.389 -5.034 1.00 0.00 N ATOM 1173 CA LEU A 74 2.722 -4.354 -5.008 1.00 0.00 C ATOM 1174 C LEU A 74 2.518 -5.378 -3.896 1.00 0.00 C ATOM 1175 O LEU A 74 2.406 -6.577 -4.156 1.00 0.00 O ATOM 1176 CB LEU A 74 4.059 -3.635 -4.814 1.00 0.00 C ATOM 1177 CG LEU A 74 4.369 -2.518 -5.811 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.499 -1.641 -5.293 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.722 -3.098 -7.172 1.00 0.00 C ATOM 0 H LEU A 74 1.925 -2.420 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 74 2.733 -4.879 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.080 -3.214 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.858 -4.375 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 74 3.478 -1.900 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.707 -0.851 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.207 -1.196 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.394 -2.247 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.939 -2.287 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.598 -3.740 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.882 -3.683 -7.547 1.00 0.00 H new ATOM 1191 N ILE A 75 2.469 -4.897 -2.658 1.00 0.00 N ATOM 1192 CA ILE A 75 2.274 -5.772 -1.507 1.00 0.00 C ATOM 1193 C ILE A 75 1.379 -6.954 -1.861 1.00 0.00 C ATOM 1194 O ILE A 75 1.594 -8.072 -1.391 1.00 0.00 O ATOM 1195 CB ILE A 75 1.655 -5.010 -0.321 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.535 -3.819 0.065 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.467 -5.943 0.867 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.038 -3.069 1.280 1.00 0.00 C ATOM 0 H ILE A 75 2.561 -3.908 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 75 3.259 -6.139 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 75 0.678 -4.633 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.548 -4.173 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.592 -3.131 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.029 -5.390 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.804 -6.761 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.433 -6.346 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.710 -2.238 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.037 -2.684 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.008 -3.743 2.136 1.00 0.00 H new ATOM 1210 N VAL A 76 0.373 -6.701 -2.692 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.554 -7.746 -3.111 1.00 0.00 C ATOM 1212 C VAL A 76 -0.053 -8.455 -4.364 1.00 0.00 C ATOM 1213 O VAL A 76 -0.187 -9.672 -4.496 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.958 -7.172 -3.386 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.928 -8.287 -3.747 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.457 -6.389 -2.182 1.00 0.00 C ATOM 0 H VAL A 76 0.179 -5.781 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.615 -8.463 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.894 -6.489 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.914 -7.864 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.575 -8.801 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.991 -8.996 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.449 -5.991 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.507 -7.048 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.773 -5.567 -1.974 1.00 0.00 H new ATOM 1226 N SER A 77 0.527 -7.686 -5.281 1.00 0.00 N ATOM 1227 CA SER A 77 1.045 -8.241 -6.526 1.00 0.00 C ATOM 1228 C SER A 77 2.239 -9.154 -6.258 1.00 0.00 C ATOM 1229 O SER A 77 2.131 -10.376 -6.341 1.00 0.00 O ATOM 1230 CB SER A 77 1.453 -7.116 -7.478 1.00 0.00 C ATOM 1231 OG SER A 77 1.835 -7.632 -8.743 1.00 0.00 O ATOM 0 H SER A 77 0.650 -6.678 -5.185 1.00 0.00 H new ATOM 0 HA SER A 77 0.255 -8.832 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.623 -6.420 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.280 -6.552 -7.047 1.00 0.00 H new ATOM 0 HG SER A 77 2.090 -6.893 -9.334 1.00 0.00 H new ATOM 1237 N ASN A 78 3.378 -8.549 -5.934 1.00 0.00 N ATOM 1238 CA ASN A 78 4.592 -9.305 -5.654 1.00 0.00 C ATOM 1239 C ASN A 78 4.278 -10.559 -4.843 1.00 0.00 C ATOM 1240 O ASN A 78 4.822 -11.632 -5.103 1.00 0.00 O ATOM 1241 CB ASN A 78 5.598 -8.434 -4.897 1.00 0.00 C ATOM 1242 CG ASN A 78 4.932 -7.547 -3.864 1.00 0.00 C ATOM 1243 OD1 ASN A 78 4.052 -7.989 -3.124 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.350 -6.288 -3.808 1.00 0.00 N ATOM 0 H ASN A 78 3.485 -7.537 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 78 5.028 -9.609 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.330 -9.074 -4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.144 -7.813 -5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.939 -5.644 -3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.082 -5.965 -4.441 1.00 0.00 H new ATOM 1251 N CYS A 79 3.397 -10.415 -3.859 1.00 0.00 N ATOM 1252 CA CYS A 79 3.009 -11.534 -3.009 1.00 0.00 C ATOM 1253 C CYS A 79 2.205 -12.563 -3.797 1.00 0.00 C ATOM 1254 O CYS A 79 2.472 -13.763 -3.726 1.00 0.00 O ATOM 1255 CB CYS A 79 2.192 -11.038 -1.816 1.00 0.00 C ATOM 1256 SG CYS A 79 2.225 -12.144 -0.386 1.00 0.00 S ATOM 0 H CYS A 79 2.938 -9.533 -3.630 1.00 0.00 H new ATOM 0 HA CYS A 79 3.918 -12.011 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.567 -10.060 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.158 -10.899 -2.130 1.00 0.00 H new ATOM 0 HG CYS A 79 1.040 -12.201 0.146 1.00 0.00 H new ATOM 1262 N LEU A 80 1.219 -12.085 -4.549 1.00 0.00 N ATOM 1263 CA LEU A 80 0.374 -12.963 -5.350 1.00 0.00 C ATOM 1264 C LEU A 80 1.197 -13.698 -6.404 1.00 0.00 C ATOM 1265 O LEU A 80 0.800 -14.758 -6.890 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.736 -12.157 -6.027 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.947 -11.820 -5.156 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.835 -10.796 -5.846 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.736 -13.080 -4.829 1.00 0.00 C ATOM 0 H LEU A 80 0.986 -11.095 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.074 -13.701 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.308 -11.225 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.083 -12.714 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.589 -11.387 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.691 -10.570 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.266 -9.884 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.185 -11.200 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.594 -12.821 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.083 -13.542 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.097 -13.780 -4.291 1.00 0.00 H new ATOM 1281 N LYS A 81 2.347 -13.131 -6.750 1.00 0.00 N ATOM 1282 CA LYS A 81 3.230 -13.733 -7.743 1.00 0.00 C ATOM 1283 C LYS A 81 4.224 -14.683 -7.082 1.00 0.00 C ATOM 1284 O LYS A 81 4.230 -15.882 -7.362 1.00 0.00 O ATOM 1285 CB LYS A 81 3.982 -12.646 -8.514 1.00 0.00 C ATOM 1286 CG LYS A 81 5.349 -13.086 -9.009 1.00 0.00 C ATOM 1287 CD LYS A 81 5.854 -12.185 -10.123 1.00 0.00 C ATOM 1288 CE LYS A 81 6.047 -10.756 -9.640 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.862 -9.770 -10.740 1.00 0.00 N ATOM 0 H LYS A 81 2.690 -12.254 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 81 2.616 -14.304 -8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.379 -12.334 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.101 -11.773 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.058 -13.075 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.294 -14.114 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.799 -12.572 -10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.146 -12.198 -10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.338 -10.544 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.046 -10.647 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.002 -8.808 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.555 -9.956 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.900 -9.857 -11.126 1.00 0.00 H new ATOM 1303 N TYR A 82 5.060 -14.141 -6.205 1.00 0.00 N ATOM 1304 CA TYR A 82 6.059 -14.939 -5.505 1.00 0.00 C ATOM 1305 C TYR A 82 5.462 -16.260 -5.028 1.00 0.00 C ATOM 1306 O TYR A 82 5.938 -17.335 -5.390 1.00 0.00 O ATOM 1307 CB TYR A 82 6.622 -14.161 -4.316 1.00 0.00 C ATOM 1308 CG TYR A 82 8.007 -14.606 -3.902 1.00 0.00 C ATOM 1309 CD1 TYR A 82 9.003 -14.814 -4.849 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.320 -14.817 -2.565 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.269 -15.221 -4.476 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.585 -15.223 -2.183 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.556 -15.424 -3.142 1.00 0.00 C ATOM 1314 OH TYR A 82 11.816 -15.827 -2.767 1.00 0.00 O ATOM 0 H TYR A 82 5.066 -13.151 -5.961 1.00 0.00 H new ATOM 0 HA TYR A 82 6.868 -15.157 -6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.650 -13.101 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.946 -14.270 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.783 -14.655 -5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.562 -14.661 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.031 -15.380 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.812 -15.382 -1.139 1.00 0.00 H new ATOM 0 HH TYR A 82 12.474 -15.481 -3.406 1.00 0.00 H new ATOM 1324 N ASN A 83 4.417 -16.169 -4.212 1.00 0.00 N ATOM 1325 CA ASN A 83 3.755 -17.356 -3.684 1.00 0.00 C ATOM 1326 C ASN A 83 2.397 -17.563 -4.348 1.00 0.00 C ATOM 1327 O ASN A 83 1.958 -16.742 -5.154 1.00 0.00 O ATOM 1328 CB ASN A 83 3.580 -17.236 -2.168 1.00 0.00 C ATOM 1329 CG ASN A 83 4.812 -16.673 -1.488 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.753 -17.405 -1.177 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.813 -15.366 -1.253 1.00 0.00 N ATOM 0 H ASN A 83 4.011 -15.286 -3.902 1.00 0.00 H new ATOM 0 HA ASN A 83 4.383 -18.219 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.725 -16.595 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.355 -18.218 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.615 -14.930 -0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.012 -14.798 -1.528 1.00 0.00 H new ATOM 1338 N ALA A 84 1.737 -18.663 -4.004 1.00 0.00 N ATOM 1339 CA ALA A 84 0.427 -18.976 -4.565 1.00 0.00 C ATOM 1340 C ALA A 84 -0.613 -19.153 -3.464 1.00 0.00 C ATOM 1341 O ALA A 84 -0.273 -19.276 -2.287 1.00 0.00 O ATOM 1342 CB ALA A 84 0.507 -20.229 -5.424 1.00 0.00 C ATOM 0 H ALA A 84 2.087 -19.353 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 84 0.117 -18.139 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.477 -20.451 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.213 -20.067 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.842 -21.068 -4.814 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.883 -19.162 -3.854 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.975 -19.325 -2.902 1.00 0.00 C ATOM 1350 C LYS A 85 -2.608 -20.337 -1.820 1.00 0.00 C ATOM 1351 O LYS A 85 -2.926 -20.148 -0.646 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.248 -19.772 -3.623 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.415 -19.153 -5.001 1.00 0.00 C ATOM 1354 CD LYS A 85 -3.778 -20.014 -6.080 1.00 0.00 C ATOM 1355 CE LYS A 85 -4.762 -21.033 -6.633 1.00 0.00 C ATOM 1356 NZ LYS A 85 -4.347 -21.535 -7.972 1.00 0.00 N ATOM 0 H LYS A 85 -2.182 -19.058 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.155 -18.361 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.239 -20.858 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.112 -19.514 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.476 -19.023 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.964 -18.161 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.418 -19.378 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.910 -20.530 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.845 -21.871 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.751 -20.581 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.044 -22.227 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.293 -20.739 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.414 -21.990 -7.899 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.937 -21.410 -2.225 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.525 -22.451 -1.291 1.00 0.00 C ATOM 1372 C ASP A 86 -0.885 -21.842 -0.047 1.00 0.00 C ATOM 1373 O ASP A 86 -1.222 -22.205 1.081 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.546 -23.412 -1.965 1.00 0.00 C ATOM 1375 CG ASP A 86 -1.235 -24.362 -2.926 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -2.182 -25.054 -2.499 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -0.827 -24.409 -4.105 1.00 0.00 O ATOM 0 H ASP A 86 -1.667 -21.581 -3.194 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.413 -23.005 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.208 -22.839 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.023 -23.988 -1.201 1.00 0.00 H new ATOM 1382 N THR A 87 0.042 -20.914 -0.259 1.00 0.00 N ATOM 1383 CA THR A 87 0.733 -20.256 0.844 1.00 0.00 C ATOM 1384 C THR A 87 -0.201 -19.311 1.591 1.00 0.00 C ATOM 1385 O THR A 87 -1.322 -19.053 1.150 1.00 0.00 O ATOM 1386 CB THR A 87 1.956 -19.464 0.348 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.534 -18.375 -0.480 1.00 0.00 O ATOM 1388 CG2 THR A 87 2.904 -20.363 -0.432 1.00 0.00 C ATOM 0 H THR A 87 0.332 -20.600 -1.185 1.00 0.00 H new ATOM 0 HA THR A 87 1.069 -21.042 1.521 1.00 0.00 H new ATOM 0 HB THR A 87 2.484 -19.074 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.813 -18.675 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.760 -19.781 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.248 -21.173 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.383 -20.780 -1.294 1.00 0.00 H new ATOM 1396 N ILE A 88 0.266 -18.798 2.724 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.528 -17.880 3.531 1.00 0.00 C ATOM 1398 C ILE A 88 -0.428 -16.454 3.001 1.00 0.00 C ATOM 1399 O ILE A 88 -1.429 -15.855 2.607 1.00 0.00 O ATOM 1400 CB ILE A 88 -0.085 -17.899 5.005 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.797 -19.025 5.760 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.365 -16.554 5.661 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -0.752 -18.865 7.264 1.00 0.00 C ATOM 0 H ILE A 88 1.190 -19.002 3.104 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.562 -18.218 3.466 1.00 0.00 H new ATOM 0 HB ILE A 88 0.989 -18.083 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.837 -19.067 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.341 -19.978 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.046 -16.584 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.183 -15.772 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.433 -16.342 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.275 -19.697 7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.286 -18.854 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.234 -17.928 7.545 1.00 0.00 H new ATOM 1415 N PHE A 89 0.788 -15.916 2.991 1.00 0.00 N ATOM 1416 CA PHE A 89 1.020 -14.560 2.507 1.00 0.00 C ATOM 1417 C PHE A 89 0.155 -14.263 1.286 1.00 0.00 C ATOM 1418 O PHE A 89 -0.171 -13.108 1.009 1.00 0.00 O ATOM 1419 CB PHE A 89 2.497 -14.365 2.160 1.00 0.00 C ATOM 1420 CG PHE A 89 3.428 -15.152 3.038 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.218 -15.222 4.406 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.511 -15.824 2.495 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.073 -15.945 5.216 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.370 -16.550 3.299 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.150 -16.611 4.661 1.00 0.00 C ATOM 0 H PHE A 89 1.627 -16.398 3.312 1.00 0.00 H new ATOM 0 HA PHE A 89 0.746 -13.866 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.659 -14.653 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.744 -13.306 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.377 -14.706 4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.686 -15.780 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.900 -15.990 6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.211 -17.068 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.818 -17.178 5.292 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.212 -15.312 0.559 1.00 0.00 N ATOM 1436 CA TYR A 90 -1.035 -15.165 -0.635 1.00 0.00 C ATOM 1437 C TYR A 90 -2.466 -14.785 -0.266 1.00 0.00 C ATOM 1438 O TYR A 90 -2.974 -13.747 -0.692 1.00 0.00 O ATOM 1439 CB TYR A 90 -1.033 -16.462 -1.445 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.660 -16.322 -2.815 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -3.020 -16.079 -2.956 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.891 -16.431 -3.967 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.597 -15.951 -4.205 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.458 -16.304 -5.220 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.812 -16.064 -5.334 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.382 -15.936 -6.580 1.00 0.00 O ATOM 0 H TYR A 90 0.048 -16.274 0.776 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.610 -14.365 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.006 -16.808 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.568 -17.230 -0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.637 -15.989 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.169 -16.618 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.657 -15.764 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.845 -16.392 -6.105 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.692 -16.041 -7.268 1.00 0.00 H new ATOM 1456 N ARG A 91 -3.111 -15.632 0.528 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.483 -15.388 0.955 1.00 0.00 C ATOM 1458 C ARG A 91 -4.619 -14.002 1.578 1.00 0.00 C ATOM 1459 O ARG A 91 -5.527 -13.243 1.237 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.927 -16.455 1.957 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.954 -17.861 1.379 1.00 0.00 C ATOM 1462 CD ARG A 91 -5.910 -18.760 2.145 1.00 0.00 C ATOM 1463 NE ARG A 91 -7.293 -18.586 1.709 1.00 0.00 N ATOM 1464 CZ ARG A 91 -8.329 -19.169 2.302 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -8.139 -19.958 3.351 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -9.558 -18.962 1.848 1.00 0.00 N ATOM 0 H ARG A 91 -2.705 -16.495 0.889 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.125 -15.438 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.255 -16.437 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.922 -16.204 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.253 -17.819 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.951 -18.287 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.616 -19.801 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.836 -18.543 3.211 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.473 -17.984 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.196 -20.118 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.936 -20.404 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.709 -18.355 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.352 -19.410 2.304 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.711 -13.677 2.493 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.729 -12.383 3.162 1.00 0.00 C ATOM 1482 C ALA A 92 -3.733 -11.242 2.151 1.00 0.00 C ATOM 1483 O ALA A 92 -4.423 -10.241 2.334 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.537 -12.257 4.099 1.00 0.00 C ATOM 0 H ALA A 92 -2.953 -14.293 2.788 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.646 -12.317 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.563 -11.285 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.579 -13.046 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.614 -12.349 3.527 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.955 -11.401 1.084 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.870 -10.384 0.043 1.00 0.00 C ATOM 1492 C ALA A 93 -4.200 -10.233 -0.687 1.00 0.00 C ATOM 1493 O ALA A 93 -4.625 -9.120 -1.000 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.762 -10.728 -0.941 1.00 0.00 C ATOM 0 H ALA A 93 -2.375 -12.224 0.919 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.636 -9.431 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.710 -9.960 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.809 -10.778 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.972 -11.693 -1.403 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.855 -11.359 -0.955 1.00 0.00 N ATOM 1501 CA VAL A 94 -6.137 -11.351 -1.648 1.00 0.00 C ATOM 1502 C VAL A 94 -7.171 -10.534 -0.881 1.00 0.00 C ATOM 1503 O VAL A 94 -7.940 -9.775 -1.472 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.675 -12.780 -1.849 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -8.069 -12.746 -2.456 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.725 -13.589 -2.719 1.00 0.00 C ATOM 0 H VAL A 94 -4.518 -12.288 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.967 -10.894 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.741 -13.265 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.432 -13.765 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.742 -12.206 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.033 -12.243 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.121 -14.596 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.624 -13.108 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.748 -13.643 -2.238 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.184 -10.694 0.438 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.124 -9.972 1.287 1.00 0.00 C ATOM 1518 C ARG A 95 -7.886 -8.467 1.202 1.00 0.00 C ATOM 1519 O ARG A 95 -8.783 -7.705 0.839 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.997 -10.439 2.738 1.00 0.00 C ATOM 1521 CG ARG A 95 -9.026 -9.820 3.669 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.362 -10.749 4.824 1.00 0.00 C ATOM 1523 NE ARG A 95 -8.437 -10.589 5.943 1.00 0.00 N ATOM 1524 CZ ARG A 95 -8.455 -11.356 7.027 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -9.345 -12.331 7.139 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -7.580 -11.147 8.003 1.00 0.00 N ATOM 0 H ARG A 95 -6.554 -11.318 0.942 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.133 -10.184 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.095 -11.524 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.998 -10.198 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.644 -8.876 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.933 -9.590 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.379 -10.552 5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.336 -11.782 4.477 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.739 -9.847 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.019 -12.494 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.356 -12.918 7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.894 -10.397 7.921 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.594 -11.736 8.835 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.673 -8.045 1.541 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.318 -6.631 1.505 1.00 0.00 C ATOM 1542 C LEU A 96 -6.769 -5.988 0.197 1.00 0.00 C ATOM 1543 O LEU A 96 -7.425 -4.947 0.200 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.806 -6.461 1.674 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.251 -6.745 3.070 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.754 -7.007 3.006 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.551 -5.587 4.011 1.00 0.00 C ATOM 0 H LEU A 96 -5.919 -8.662 1.844 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.830 -6.133 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.305 -7.120 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.543 -5.439 1.401 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.740 -7.638 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.376 -7.207 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.563 -7.869 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.249 -6.133 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.148 -5.808 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.090 -4.677 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.629 -5.446 4.082 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.415 -6.618 -0.919 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.786 -6.109 -2.234 1.00 0.00 C ATOM 1561 C ARG A 97 -8.295 -5.912 -2.334 1.00 0.00 C ATOM 1562 O ARG A 97 -8.765 -4.969 -2.971 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.312 -7.069 -3.327 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.572 -6.561 -4.737 1.00 0.00 C ATOM 1565 CD ARG A 97 -5.530 -7.078 -5.715 1.00 0.00 C ATOM 1566 NE ARG A 97 -5.956 -6.919 -7.103 1.00 0.00 N ATOM 1567 CZ ARG A 97 -6.922 -7.638 -7.663 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -7.558 -8.562 -6.957 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -7.253 -7.434 -8.932 1.00 0.00 N ATOM 0 H ARG A 97 -5.872 -7.481 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.301 -5.143 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.244 -7.247 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.812 -8.029 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.564 -6.875 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.566 -5.471 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.592 -6.545 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.335 -8.131 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.485 -6.217 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.306 -8.722 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.300 -9.113 -7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.765 -6.724 -9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.995 -7.987 -9.361 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.048 -6.806 -1.702 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.504 -6.729 -1.722 1.00 0.00 C ATOM 1585 C GLU A 98 -11.007 -5.674 -0.740 1.00 0.00 C ATOM 1586 O GLU A 98 -11.597 -4.671 -1.141 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.114 -8.090 -1.381 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.969 -9.117 -2.492 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.795 -8.771 -3.716 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -11.323 -7.960 -4.538 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -12.912 -9.313 -3.850 1.00 0.00 O ATOM 0 H GLU A 98 -8.674 -7.592 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.813 -6.442 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.641 -8.475 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.172 -7.958 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.920 -9.194 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.271 -10.096 -2.119 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.768 -5.909 0.546 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.199 -4.980 1.585 1.00 0.00 C ATOM 1600 C GLN A 99 -10.498 -3.633 1.434 1.00 0.00 C ATOM 1601 O GLN A 99 -11.147 -2.592 1.348 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.914 -5.564 2.970 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.460 -6.970 3.161 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.572 -7.358 4.622 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.301 -6.553 5.513 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.973 -8.598 4.876 1.00 0.00 N ATOM 0 H GLN A 99 -10.279 -6.734 0.894 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.273 -4.825 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.837 -5.576 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.346 -4.909 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.442 -7.041 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.811 -7.681 2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.187 -9.232 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.067 -8.916 5.841 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.169 -3.663 1.402 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.404 -2.438 1.263 1.00 0.00 C ATOM 1617 C GLY A 100 -9.009 -1.489 0.247 1.00 0.00 C ATOM 1618 O GLY A 100 -8.964 -0.272 0.421 1.00 0.00 O ATOM 0 H GLY A 100 -8.609 -4.513 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.343 -1.939 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.384 -2.682 0.966 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.573 -2.048 -0.819 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.179 -1.227 -1.853 1.00 0.00 C ATOM 1624 C GLY A 101 -11.097 -0.163 -1.284 1.00 0.00 C ATOM 1625 O GLY A 101 -11.063 0.989 -1.714 1.00 0.00 O ATOM 0 H GLY A 101 -9.622 -3.053 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.394 -0.750 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.744 -1.864 -2.534 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.921 -0.550 -0.316 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.852 0.380 0.312 1.00 0.00 C ATOM 1631 C ALA A 102 -12.109 1.525 0.991 1.00 0.00 C ATOM 1632 O ALA A 102 -12.587 2.659 1.018 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.731 -0.351 1.316 1.00 0.00 C ATOM 0 H ALA A 102 -11.963 -1.501 0.050 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.485 0.804 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.421 0.355 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.297 -1.130 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.106 -0.803 2.086 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.937 1.221 1.540 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.128 2.226 2.220 1.00 0.00 C ATOM 1641 C VAL A 103 -9.561 3.236 1.231 1.00 0.00 C ATOM 1642 O VAL A 103 -9.613 4.444 1.461 1.00 0.00 O ATOM 1643 CB VAL A 103 -8.967 1.578 2.999 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -7.987 2.639 3.476 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.499 0.766 4.170 1.00 0.00 C ATOM 0 H VAL A 103 -10.527 0.287 1.527 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.785 2.740 2.922 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.436 0.901 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.174 2.163 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.582 3.173 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.502 3.343 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.665 0.316 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.056 1.419 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.158 -0.019 3.799 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.018 2.734 0.126 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.441 3.592 -0.901 1.00 0.00 C ATOM 1657 C LEU A 104 -9.533 4.283 -1.711 1.00 0.00 C ATOM 1658 O LEU A 104 -9.279 5.276 -2.394 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.541 2.775 -1.830 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.305 2.148 -1.186 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.714 1.080 -2.095 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.267 3.216 -0.872 1.00 0.00 C ATOM 0 H LEU A 104 -8.966 1.736 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.843 4.357 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.138 1.979 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.214 3.420 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.606 1.676 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.835 0.644 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.455 0.301 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.428 1.529 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.394 2.751 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.970 3.717 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.693 3.946 -0.183 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.749 3.754 -1.628 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.881 4.320 -2.352 1.00 0.00 C ATOM 1676 C ARG A 105 -12.526 5.450 -1.555 1.00 0.00 C ATOM 1677 O ARG A 105 -12.914 6.474 -2.116 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.918 3.235 -2.650 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.649 2.473 -3.938 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.933 1.918 -4.534 1.00 0.00 C ATOM 1681 NE ARG A 105 -14.647 2.918 -5.324 1.00 0.00 N ATOM 1682 CZ ARG A 105 -15.835 2.705 -5.879 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -16.438 1.535 -5.731 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -16.421 3.665 -6.584 1.00 0.00 N ATOM 0 H ARG A 105 -10.976 2.934 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.511 4.727 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.943 2.530 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.905 3.694 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.167 3.133 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.955 1.656 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.699 1.059 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.579 1.560 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.209 3.830 -5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.990 0.795 -5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.350 1.374 -6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.959 4.567 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.333 3.501 -7.010 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.635 5.255 -0.244 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.234 6.257 0.629 1.00 0.00 C ATOM 1700 C GLN A 106 -12.299 7.448 0.813 1.00 0.00 C ATOM 1701 O GLN A 106 -12.746 8.571 1.045 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.571 5.643 1.989 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.373 5.525 2.917 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.758 5.088 4.316 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.377 4.040 4.502 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.393 5.890 5.309 1.00 0.00 N ATOM 0 H GLN A 106 -12.317 4.413 0.236 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.153 6.609 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.336 6.250 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.000 4.653 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.664 4.810 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.862 6.487 2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.881 6.749 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.625 5.647 6.272 1.00 0.00 H new ATOM 1715 N ALA A 107 -10.999 7.195 0.708 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.001 8.246 0.860 1.00 0.00 C ATOM 1717 C ALA A 107 -9.748 8.959 -0.464 1.00 0.00 C ATOM 1718 O ALA A 107 -9.440 10.150 -0.488 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.704 7.667 1.408 1.00 0.00 C ATOM 0 H ALA A 107 -10.612 6.271 0.518 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.386 8.979 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.967 8.463 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.891 7.211 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.323 6.912 0.720 1.00 0.00 H new ATOM 1725 N ARG A 108 -9.877 8.221 -1.561 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.660 8.784 -2.889 1.00 0.00 C ATOM 1727 C ARG A 108 -10.564 9.990 -3.123 1.00 0.00 C ATOM 1728 O ARG A 108 -10.107 11.044 -3.564 1.00 0.00 O ATOM 1729 CB ARG A 108 -9.917 7.725 -3.963 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.916 8.279 -5.378 1.00 0.00 C ATOM 1731 CD ARG A 108 -8.513 8.309 -5.963 1.00 0.00 C ATOM 1732 NE ARG A 108 -8.152 7.037 -6.585 1.00 0.00 N ATOM 1733 CZ ARG A 108 -7.123 6.889 -7.411 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -6.356 7.927 -7.714 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -6.858 5.699 -7.936 1.00 0.00 N ATOM 0 H ARG A 108 -10.130 7.233 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.622 9.112 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.156 6.949 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.878 7.249 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.562 7.669 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.332 9.286 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.446 9.106 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.797 8.544 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.722 6.218 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.555 8.843 -7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.566 7.810 -8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.445 4.897 -7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.067 5.586 -8.570 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.850 9.827 -2.826 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.818 10.901 -3.005 1.00 0.00 C ATOM 1751 C ARG A 109 -12.376 12.162 -2.267 1.00 0.00 C ATOM 1752 O ARG A 109 -12.632 13.277 -2.717 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.196 10.463 -2.508 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.328 10.471 -0.993 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.363 9.462 -0.519 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.727 9.951 -0.699 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.788 9.156 -0.772 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.644 7.841 -0.680 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -18.998 9.675 -0.936 1.00 0.00 N ATOM 0 H ARG A 109 -12.245 8.961 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.878 11.127 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -14.953 11.122 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.404 9.459 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.363 10.243 -0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.610 11.469 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.237 8.529 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.194 9.238 0.534 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.873 10.958 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.716 7.437 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.461 7.233 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.114 10.686 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.812 9.063 -0.992 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.712 11.972 -1.131 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.236 13.094 -0.328 1.00 0.00 C ATOM 1775 C GLN A 110 -10.176 13.890 -1.082 1.00 0.00 C ATOM 1776 O GLN A 110 -10.372 15.064 -1.395 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.667 12.592 0.999 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.613 11.678 1.761 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.325 11.649 3.249 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -10.998 10.602 3.809 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.446 12.801 3.898 1.00 0.00 N ATOM 0 H GLN A 110 -11.491 11.054 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.082 13.751 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.736 12.058 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.420 13.449 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.639 12.008 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.537 10.667 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.719 13.644 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.265 12.843 4.901 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.051 13.242 -1.370 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.959 13.889 -2.089 1.00 0.00 C ATOM 1792 C ALA A 111 -8.485 14.707 -3.265 1.00 0.00 C ATOM 1793 O ALA A 111 -7.825 15.636 -3.729 1.00 0.00 O ATOM 1794 CB ALA A 111 -6.956 12.852 -2.571 1.00 0.00 C ATOM 0 H ALA A 111 -8.872 12.270 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.457 14.570 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.147 13.349 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.548 12.314 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.453 12.148 -3.238 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.675 14.353 -3.741 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.286 15.054 -4.863 1.00 0.00 C ATOM 1802 C GLU A 112 -11.171 16.197 -4.374 1.00 0.00 C ATOM 1803 O GLU A 112 -11.127 17.305 -4.911 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.110 14.083 -5.712 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.292 12.950 -6.307 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.878 12.427 -7.604 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -10.526 12.968 -8.674 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.687 11.477 -7.551 1.00 0.00 O ATOM 0 H GLU A 112 -10.234 13.586 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.487 15.473 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.906 13.662 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.590 14.636 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.274 13.297 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.229 12.135 -5.586 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.975 15.919 -3.355 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.871 16.923 -2.791 1.00 0.00 C ATOM 1817 C LYS A 113 -12.083 18.103 -2.232 1.00 0.00 C ATOM 1818 O LYS A 113 -12.624 19.195 -2.055 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.735 16.304 -1.689 1.00 0.00 C ATOM 1820 CG LYS A 113 -13.112 16.392 -0.306 1.00 0.00 C ATOM 1821 CD LYS A 113 -14.068 15.900 0.767 1.00 0.00 C ATOM 1822 CE LYS A 113 -14.999 17.009 1.234 1.00 0.00 C ATOM 1823 NZ LYS A 113 -16.113 17.239 0.274 1.00 0.00 N ATOM 0 H LYS A 113 -12.025 15.007 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.518 17.287 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.704 16.804 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.920 15.257 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.197 15.800 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.830 17.424 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.656 15.069 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.500 15.519 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.409 16.752 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.431 17.931 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -16.979 17.479 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.866 18.023 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.274 16.376 -0.284 1.00 0.00 H new ATOM 1837 N MET A 114 -10.803 17.877 -1.955 1.00 0.00 N ATOM 1838 CA MET A 114 -9.941 18.923 -1.418 1.00 0.00 C ATOM 1839 C MET A 114 -10.088 20.212 -2.219 1.00 0.00 C ATOM 1840 O MET A 114 -10.320 21.281 -1.657 1.00 0.00 O ATOM 1841 CB MET A 114 -8.482 18.466 -1.428 1.00 0.00 C ATOM 1842 CG MET A 114 -8.215 17.263 -0.537 1.00 0.00 C ATOM 1843 SD MET A 114 -6.488 17.138 -0.036 1.00 0.00 S ATOM 1844 CE MET A 114 -6.633 16.128 1.435 1.00 0.00 C ATOM 0 H MET A 114 -10.340 16.979 -2.094 1.00 0.00 H new ATOM 0 HA MET A 114 -10.246 19.118 -0.390 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.193 18.222 -2.450 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.849 19.293 -1.107 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.843 17.328 0.352 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.503 16.354 -1.065 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.227 16.670 2.290 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.683 15.898 1.616 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.077 15.201 1.296 1.00 0.00 H new