USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HE2:sc= -1.56! K(o=-0.28!,f=-2.8) USER MOD Set 1.2: B 13 SER OG : rot 80:sc= 1.28 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.646 K(o=0.65,f=-7.6!) USER MOD Single : A 16 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 17 SER OG : rot 99:sc= 1.25 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.012) USER MOD Single : A 28 THR OG1 : rot 12:sc= 0.282 USER MOD Single : A 29 SER OG : rot 78:sc= 0.555 USER MOD Single : A 32 HIS : no HD1:sc= 0.0656 K(o=0.066,f=-1.9!) USER MOD Single : A 36 TYR OH : rot 30:sc= 0.624 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 48 SER OG : rot -178:sc= 1.28 USER MOD Single : A 53 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.3) USER MOD Single : A 65 SER OG : rot -168:sc= 0.965 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.4) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.877 USER MOD Single : A 80 ASN : amide:sc= 0.298 X(o=0.3,f=-0.076) USER MOD Single : A 81 THR OG1 : rot -59:sc= 1.41 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.503 K(o=0.5,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= 1.22 (180deg=-0.66!) USER MOD Single : B 11 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.723 6.874 -12.268 1.00 0.00 N ATOM 54 CA GLY A 4 -11.716 6.418 -11.359 1.00 0.00 C ATOM 55 C GLY A 4 -10.554 5.858 -12.105 1.00 0.00 C ATOM 56 O GLY A 4 -10.437 4.649 -12.306 1.00 0.00 O ATOM 0 HA2 GLY A 4 -11.387 7.243 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.132 5.658 -10.698 1.00 0.00 H new ATOM 60 N ASP A 5 -9.647 6.729 -12.584 1.00 0.00 N ATOM 61 CA ASP A 5 -8.528 6.324 -13.376 1.00 0.00 C ATOM 62 C ASP A 5 -7.381 5.787 -12.591 1.00 0.00 C ATOM 63 O ASP A 5 -7.187 6.057 -11.407 1.00 0.00 O ATOM 64 CB ASP A 5 -8.106 7.401 -14.389 1.00 0.00 C ATOM 65 CG ASP A 5 -7.787 8.760 -13.782 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.721 9.483 -13.342 1.00 0.00 O ATOM 67 OD2 ASP A 5 -6.595 9.167 -13.802 1.00 0.00 O ATOM 0 H ASP A 5 -9.692 7.734 -12.417 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.886 5.471 -13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.229 7.046 -14.931 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.905 7.524 -15.121 1.00 0.00 H new ATOM 72 N ILE A 6 -6.562 4.960 -13.265 1.00 0.00 N ATOM 73 CA ILE A 6 -5.331 4.424 -12.774 1.00 0.00 C ATOM 74 C ILE A 6 -4.232 5.390 -13.054 1.00 0.00 C ATOM 75 O ILE A 6 -4.134 5.969 -14.135 1.00 0.00 O ATOM 76 CB ILE A 6 -5.064 3.068 -13.358 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.940 2.026 -12.642 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.586 2.651 -13.273 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.105 0.723 -13.424 1.00 0.00 C ATOM 0 H ILE A 6 -6.774 4.647 -14.212 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.395 4.284 -11.695 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.313 3.120 -14.418 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.502 1.803 -11.669 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.924 2.456 -12.458 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.461 1.661 -13.712 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.973 3.370 -13.817 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.274 2.626 -12.229 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.734 0.036 -12.858 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.571 0.933 -14.387 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.127 0.269 -13.586 1.00 0.00 H new ATOM 91 N PHE A 7 -3.356 5.613 -12.058 1.00 0.00 N ATOM 92 CA PHE A 7 -2.247 6.511 -12.149 1.00 0.00 C ATOM 93 C PHE A 7 -1.109 5.951 -11.367 1.00 0.00 C ATOM 94 O PHE A 7 -1.256 5.010 -10.588 1.00 0.00 O ATOM 95 CB PHE A 7 -2.596 7.953 -11.742 1.00 0.00 C ATOM 96 CG PHE A 7 -2.853 8.181 -10.293 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.910 7.581 -9.652 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.037 9.026 -9.578 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.145 7.805 -8.315 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.265 9.266 -8.243 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.320 8.651 -7.611 1.00 0.00 C ATOM 0 H PHE A 7 -3.423 5.149 -11.152 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.954 6.593 -13.196 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.779 8.604 -12.052 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.480 8.263 -12.300 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.565 6.925 -10.205 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.206 9.508 -10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.973 7.319 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.618 9.934 -7.694 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.501 8.832 -6.562 1.00 0.00 H new ATOM 111 N GLU A 8 0.096 6.512 -11.564 1.00 0.00 N ATOM 112 CA GLU A 8 1.250 6.152 -10.799 1.00 0.00 C ATOM 113 C GLU A 8 1.840 7.368 -10.169 1.00 0.00 C ATOM 114 O GLU A 8 1.807 8.464 -10.726 1.00 0.00 O ATOM 115 CB GLU A 8 2.279 5.396 -11.655 1.00 0.00 C ATOM 116 CG GLU A 8 2.885 6.175 -12.823 1.00 0.00 C ATOM 117 CD GLU A 8 3.727 5.291 -13.731 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.793 4.050 -13.515 1.00 0.00 O ATOM 119 OE2 GLU A 8 4.343 5.830 -14.688 1.00 0.00 O ATOM 0 H GLU A 8 0.273 7.229 -12.267 1.00 0.00 H new ATOM 0 HA GLU A 8 0.944 5.470 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.090 5.066 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.803 4.499 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.085 6.633 -13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.502 6.986 -12.435 1.00 0.00 H new ATOM 126 N VAL A 9 2.361 7.218 -8.938 1.00 0.00 N ATOM 127 CA VAL A 9 3.115 8.234 -8.273 1.00 0.00 C ATOM 128 C VAL A 9 4.567 7.902 -8.327 1.00 0.00 C ATOM 129 O VAL A 9 4.961 6.737 -8.322 1.00 0.00 O ATOM 130 CB VAL A 9 2.683 8.501 -6.861 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.252 9.064 -6.887 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.760 7.238 -5.987 1.00 0.00 C ATOM 0 H VAL A 9 2.254 6.365 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 9 2.920 9.161 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 9 3.362 9.227 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.921 9.264 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.236 9.990 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.584 8.338 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.438 7.477 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.110 6.468 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.787 6.873 -5.965 1.00 0.00 H new ATOM 142 N GLU A 10 5.418 8.943 -8.364 1.00 0.00 N ATOM 143 CA GLU A 10 6.839 8.817 -8.280 1.00 0.00 C ATOM 144 C GLU A 10 7.307 9.760 -7.225 1.00 0.00 C ATOM 145 O GLU A 10 7.524 10.949 -7.453 1.00 0.00 O ATOM 146 CB GLU A 10 7.527 9.104 -9.626 1.00 0.00 C ATOM 147 CG GLU A 10 9.028 8.808 -9.605 1.00 0.00 C ATOM 148 CD GLU A 10 9.680 9.081 -10.953 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.257 8.456 -11.962 1.00 0.00 O ATOM 150 OE2 GLU A 10 10.644 9.890 -11.017 1.00 0.00 O ATOM 0 H GLU A 10 5.104 9.909 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 10 7.103 7.791 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.055 8.504 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.372 10.150 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.508 9.418 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.189 7.766 -9.329 1.00 0.00 H new ATOM 157 N LEU A 11 7.438 9.253 -5.986 1.00 0.00 N ATOM 158 CA LEU A 11 7.730 10.045 -4.832 1.00 0.00 C ATOM 159 C LEU A 11 8.978 9.519 -4.209 1.00 0.00 C ATOM 160 O LEU A 11 9.421 8.411 -4.505 1.00 0.00 O ATOM 161 CB LEU A 11 6.530 10.020 -3.870 1.00 0.00 C ATOM 162 CG LEU A 11 6.422 11.172 -2.857 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.302 12.547 -3.536 1.00 0.00 C ATOM 164 CD2 LEU A 11 5.202 10.963 -1.944 1.00 0.00 C ATOM 0 H LEU A 11 7.337 8.259 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 11 7.896 11.089 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.618 10.007 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.561 9.083 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 11 7.343 11.162 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.229 13.324 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.182 12.726 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.410 12.567 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.136 11.785 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.296 10.934 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.308 10.022 -1.404 1.00 0.00 H new ATOM 176 N ALA A 12 9.637 10.295 -3.329 1.00 0.00 N ATOM 177 CA ALA A 12 10.779 9.820 -2.611 1.00 0.00 C ATOM 178 C ALA A 12 10.651 10.214 -1.180 1.00 0.00 C ATOM 179 O ALA A 12 9.739 10.938 -0.783 1.00 0.00 O ATOM 180 CB ALA A 12 12.088 10.350 -3.220 1.00 0.00 C ATOM 0 H ALA A 12 9.376 11.257 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 12 10.817 8.733 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.935 9.969 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.169 10.017 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.089 11.440 -3.188 1.00 0.00 H new ATOM 186 N LYS A 13 11.558 9.710 -0.324 1.00 0.00 N ATOM 187 CA LYS A 13 11.647 10.078 1.056 1.00 0.00 C ATOM 188 C LYS A 13 12.174 11.457 1.261 1.00 0.00 C ATOM 189 O LYS A 13 13.370 11.720 1.146 1.00 0.00 O ATOM 190 CB LYS A 13 12.481 9.055 1.845 1.00 0.00 C ATOM 191 CG LYS A 13 12.715 9.428 3.310 1.00 0.00 C ATOM 192 CD LYS A 13 12.966 8.238 4.238 1.00 0.00 C ATOM 193 CE LYS A 13 14.191 7.390 3.890 1.00 0.00 C ATOM 194 NZ LYS A 13 14.393 6.369 4.942 1.00 0.00 N ATOM 0 H LYS A 13 12.256 9.020 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 13 10.627 10.075 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.981 8.087 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.447 8.935 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.569 10.103 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.848 9.979 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.078 8.609 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.085 7.597 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.052 6.909 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.074 8.023 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.225 5.790 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.543 6.839 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.553 5.759 5.000 1.00 0.00 H new ATOM 208 N ASN A 14 11.278 12.405 1.586 1.00 0.00 N ATOM 209 CA ASN A 14 11.606 13.740 1.982 1.00 0.00 C ATOM 210 C ASN A 14 11.582 13.837 3.469 1.00 0.00 C ATOM 211 O ASN A 14 12.630 13.930 4.107 1.00 0.00 O ATOM 212 CB ASN A 14 10.753 14.798 1.263 1.00 0.00 C ATOM 213 CG ASN A 14 9.308 14.368 1.056 1.00 0.00 C ATOM 214 OD1 ASN A 14 8.572 14.103 2.005 1.00 0.00 O ATOM 215 ND2 ASN A 14 8.871 14.261 -0.228 1.00 0.00 N ATOM 0 H ASN A 14 10.273 12.232 1.572 1.00 0.00 H new ATOM 0 HA ASN A 14 12.622 13.969 1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.770 15.722 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.201 15.019 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.916 13.956 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.498 14.486 -1.001 1.00 0.00 H new ATOM 222 N ASP A 15 10.392 13.780 4.092 1.00 0.00 N ATOM 223 CA ASP A 15 10.168 13.701 5.502 1.00 0.00 C ATOM 224 C ASP A 15 10.578 12.361 6.009 1.00 0.00 C ATOM 225 O ASP A 15 11.653 12.168 6.576 1.00 0.00 O ATOM 226 CB ASP A 15 8.678 14.004 5.730 1.00 0.00 C ATOM 227 CG ASP A 15 8.238 14.159 7.179 1.00 0.00 C ATOM 228 OD1 ASP A 15 8.510 13.260 8.018 1.00 0.00 O ATOM 229 OD2 ASP A 15 7.589 15.195 7.484 1.00 0.00 O ATOM 0 H ASP A 15 9.518 13.790 3.567 1.00 0.00 H new ATOM 0 HA ASP A 15 10.767 14.423 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.429 14.921 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.092 13.204 5.278 1.00 0.00 H new ATOM 234 N ASN A 16 9.721 11.356 5.757 1.00 0.00 N ATOM 235 CA ASN A 16 9.930 9.958 5.971 1.00 0.00 C ATOM 236 C ASN A 16 9.346 9.345 4.745 1.00 0.00 C ATOM 237 O ASN A 16 8.928 10.069 3.843 1.00 0.00 O ATOM 238 CB ASN A 16 9.251 9.463 7.260 1.00 0.00 C ATOM 239 CG ASN A 16 10.056 9.817 8.502 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.790 8.979 9.024 1.00 0.00 O ATOM 241 ND2 ASN A 16 9.915 11.063 9.027 1.00 0.00 N ATOM 0 H ASN A 16 8.797 11.542 5.367 1.00 0.00 H new ATOM 0 HA ASN A 16 10.978 9.696 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.256 9.901 7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.121 8.382 7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.424 11.321 9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.300 11.740 8.575 1.00 0.00 H new ATOM 248 N SER A 17 9.298 8.009 4.605 1.00 0.00 N ATOM 249 CA SER A 17 9.093 7.396 3.329 1.00 0.00 C ATOM 250 C SER A 17 7.665 7.401 2.907 1.00 0.00 C ATOM 251 O SER A 17 7.339 7.979 1.872 1.00 0.00 O ATOM 252 CB SER A 17 9.633 5.957 3.270 1.00 0.00 C ATOM 253 OG SER A 17 9.698 5.458 1.943 1.00 0.00 O ATOM 0 H SER A 17 9.401 7.351 5.377 1.00 0.00 H new ATOM 0 HA SER A 17 9.661 8.012 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.627 5.926 3.716 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.995 5.307 3.869 1.00 0.00 H new ATOM 0 HG SER A 17 10.615 5.541 1.607 1.00 0.00 H new ATOM 259 N LEU A 18 6.740 6.759 3.643 1.00 0.00 N ATOM 260 CA LEU A 18 5.364 6.731 3.255 1.00 0.00 C ATOM 261 C LEU A 18 4.558 7.702 4.047 1.00 0.00 C ATOM 262 O LEU A 18 4.373 8.844 3.631 1.00 0.00 O ATOM 263 CB LEU A 18 4.787 5.306 3.283 1.00 0.00 C ATOM 264 CG LEU A 18 5.020 4.498 1.994 1.00 0.00 C ATOM 265 CD1 LEU A 18 6.495 4.249 1.637 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.296 3.142 2.046 1.00 0.00 C ATOM 0 H LEU A 18 6.945 6.259 4.508 1.00 0.00 H new ATOM 0 HA LEU A 18 5.306 7.054 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.228 4.765 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.715 5.365 3.471 1.00 0.00 H new ATOM 0 HG LEU A 18 4.607 5.133 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.554 3.672 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.003 5.204 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.976 3.694 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.480 2.595 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.669 2.562 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.225 3.306 2.163 1.00 0.00 H new ATOM 278 N GLY A 19 4.033 7.290 5.215 1.00 0.00 N ATOM 279 CA GLY A 19 3.124 8.061 6.004 1.00 0.00 C ATOM 280 C GLY A 19 1.728 7.587 5.786 1.00 0.00 C ATOM 281 O GLY A 19 0.807 8.381 5.602 1.00 0.00 O ATOM 0 H GLY A 19 4.251 6.382 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.384 7.977 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.204 9.115 5.739 1.00 0.00 H new ATOM 285 N ILE A 20 1.507 6.260 5.790 1.00 0.00 N ATOM 286 CA ILE A 20 0.227 5.718 5.458 1.00 0.00 C ATOM 287 C ILE A 20 0.023 4.408 6.138 1.00 0.00 C ATOM 288 O ILE A 20 0.961 3.650 6.379 1.00 0.00 O ATOM 289 CB ILE A 20 0.041 5.659 3.970 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.434 5.790 3.552 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.713 4.420 3.357 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.593 6.121 2.068 1.00 0.00 C ATOM 0 H ILE A 20 2.215 5.563 6.023 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.554 6.381 5.830 1.00 0.00 H new ATOM 0 HB ILE A 20 0.550 6.531 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.955 4.858 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.910 6.569 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.554 4.416 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.782 4.445 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.280 3.519 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.652 6.202 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.097 7.067 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.143 5.330 1.468 1.00 0.00 H new ATOM 304 N SER A 21 -1.233 4.092 6.505 1.00 0.00 N ATOM 305 CA SER A 21 -1.581 2.929 7.262 1.00 0.00 C ATOM 306 C SER A 21 -2.562 2.104 6.503 1.00 0.00 C ATOM 307 O SER A 21 -3.222 2.579 5.580 1.00 0.00 O ATOM 308 CB SER A 21 -2.127 3.320 8.644 1.00 0.00 C ATOM 309 OG SER A 21 -2.192 2.210 9.529 1.00 0.00 O ATOM 0 H SER A 21 -2.038 4.670 6.264 1.00 0.00 H new ATOM 0 HA SER A 21 -0.684 2.331 7.424 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.492 4.092 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.122 3.751 8.531 1.00 0.00 H new ATOM 0 HG SER A 21 -2.543 2.503 10.396 1.00 0.00 H new ATOM 315 N VAL A 22 -2.658 0.804 6.837 1.00 0.00 N ATOM 316 CA VAL A 22 -3.170 -0.226 5.988 1.00 0.00 C ATOM 317 C VAL A 22 -4.330 -0.883 6.655 1.00 0.00 C ATOM 318 O VAL A 22 -4.541 -0.733 7.859 1.00 0.00 O ATOM 319 CB VAL A 22 -2.092 -1.230 5.710 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.497 -2.305 4.688 1.00 0.00 C ATOM 321 CG2 VAL A 22 -0.856 -0.520 5.133 1.00 0.00 C ATOM 0 H VAL A 22 -2.362 0.454 7.748 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.500 0.205 5.043 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.892 -1.714 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.667 -2.995 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.362 -2.853 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.749 -1.829 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.075 -1.254 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.126 -0.015 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.489 0.213 5.851 1.00 0.00 H new ATOM 331 N THR A 23 -5.167 -1.616 5.902 1.00 0.00 N ATOM 332 CA THR A 23 -6.134 -2.524 6.437 1.00 0.00 C ATOM 333 C THR A 23 -6.268 -3.638 5.456 1.00 0.00 C ATOM 334 O THR A 23 -6.047 -3.453 4.260 1.00 0.00 O ATOM 335 CB THR A 23 -7.446 -1.862 6.733 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.364 -2.701 7.418 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.137 -1.344 5.460 1.00 0.00 C ATOM 0 H THR A 23 -5.171 -1.576 4.883 1.00 0.00 H new ATOM 0 HA THR A 23 -5.800 -2.904 7.402 1.00 0.00 H new ATOM 0 HB THR A 23 -7.182 -1.028 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.196 -2.210 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.083 -0.873 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.494 -0.614 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.324 -2.177 4.783 1.00 0.00 H new ATOM 345 N GLY A 24 -6.584 -4.859 5.922 1.00 0.00 N ATOM 346 CA GLY A 24 -6.787 -6.012 5.100 1.00 0.00 C ATOM 347 C GLY A 24 -5.559 -6.603 4.499 1.00 0.00 C ATOM 348 O GLY A 24 -4.472 -6.552 5.072 1.00 0.00 O ATOM 0 H GLY A 24 -6.703 -5.052 6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.282 -6.778 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.471 -5.745 4.294 1.00 0.00 H new ATOM 352 N GLY A 25 -5.711 -7.217 3.311 1.00 0.00 N ATOM 353 CA GLY A 25 -4.637 -7.634 2.465 1.00 0.00 C ATOM 354 C GLY A 25 -4.127 -9.027 2.608 1.00 0.00 C ATOM 355 O GLY A 25 -3.050 -9.338 2.100 1.00 0.00 O ATOM 0 H GLY A 25 -6.629 -7.433 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.957 -7.501 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.801 -6.955 2.630 1.00 0.00 H new ATOM 359 N VAL A 26 -4.842 -9.916 3.320 1.00 0.00 N ATOM 360 CA VAL A 26 -4.268 -11.121 3.833 1.00 0.00 C ATOM 361 C VAL A 26 -4.314 -12.276 2.893 1.00 0.00 C ATOM 362 O VAL A 26 -3.563 -12.333 1.921 1.00 0.00 O ATOM 363 CB VAL A 26 -4.794 -11.444 5.201 1.00 0.00 C ATOM 364 CG1 VAL A 26 -3.829 -12.401 5.923 1.00 0.00 C ATOM 365 CG2 VAL A 26 -4.894 -10.159 6.040 1.00 0.00 C ATOM 0 H VAL A 26 -5.830 -9.797 3.543 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.202 -10.920 3.939 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.775 -11.905 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.218 -12.630 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.733 -13.323 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.851 -11.929 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.276 -10.401 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.906 -9.707 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.570 -9.457 5.552 1.00 0.00 H new ATOM 375 N ASN A 27 -5.165 -13.290 3.129 1.00 0.00 N ATOM 376 CA ASN A 27 -5.194 -14.521 2.401 1.00 0.00 C ATOM 377 C ASN A 27 -6.112 -14.422 1.230 1.00 0.00 C ATOM 378 O ASN A 27 -5.795 -14.881 0.133 1.00 0.00 O ATOM 379 CB ASN A 27 -5.621 -15.694 3.299 1.00 0.00 C ATOM 380 CG ASN A 27 -4.557 -15.937 4.361 1.00 0.00 C ATOM 381 OD1 ASN A 27 -3.482 -16.455 4.066 1.00 0.00 O ATOM 382 ND2 ASN A 27 -4.852 -15.579 5.640 1.00 0.00 N ATOM 0 H ASN A 27 -5.869 -13.249 3.866 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.182 -14.711 2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.578 -15.474 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.762 -16.593 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.173 -15.739 6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.752 -15.151 5.855 1.00 0.00 H new ATOM 389 N THR A 28 -7.282 -13.786 1.416 1.00 0.00 N ATOM 390 CA THR A 28 -8.050 -13.233 0.343 1.00 0.00 C ATOM 391 C THR A 28 -8.483 -11.898 0.844 1.00 0.00 C ATOM 392 O THR A 28 -8.549 -11.678 2.052 1.00 0.00 O ATOM 393 CB THR A 28 -9.188 -14.083 -0.140 1.00 0.00 C ATOM 394 OG1 THR A 28 -9.764 -13.560 -1.327 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.306 -14.230 0.903 1.00 0.00 C ATOM 0 H THR A 28 -7.705 -13.653 2.334 1.00 0.00 H new ATOM 0 HA THR A 28 -7.444 -13.165 -0.561 1.00 0.00 H new ATOM 0 HB THR A 28 -8.750 -15.063 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.187 -12.855 -1.687 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.102 -14.855 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.904 -14.693 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.706 -13.246 1.148 1.00 0.00 H new ATOM 403 N SER A 29 -8.726 -10.915 -0.042 1.00 0.00 N ATOM 404 CA SER A 29 -9.064 -9.605 0.418 1.00 0.00 C ATOM 405 C SER A 29 -9.843 -8.865 -0.615 1.00 0.00 C ATOM 406 O SER A 29 -11.064 -9.000 -0.690 1.00 0.00 O ATOM 407 CB SER A 29 -7.844 -8.809 0.913 1.00 0.00 C ATOM 408 OG SER A 29 -8.235 -7.822 1.856 1.00 0.00 O ATOM 0 H SER A 29 -8.690 -11.023 -1.056 1.00 0.00 H new ATOM 0 HA SER A 29 -9.703 -9.727 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.122 -9.487 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.347 -8.334 0.067 1.00 0.00 H new ATOM 0 HG SER A 29 -8.394 -8.245 2.726 1.00 0.00 H new ATOM 414 N VAL A 30 -9.180 -8.077 -1.479 1.00 0.00 N ATOM 415 CA VAL A 30 -9.791 -7.272 -2.492 1.00 0.00 C ATOM 416 C VAL A 30 -10.237 -8.130 -3.625 1.00 0.00 C ATOM 417 O VAL A 30 -11.398 -8.139 -4.030 1.00 0.00 O ATOM 418 CB VAL A 30 -8.842 -6.220 -2.979 1.00 0.00 C ATOM 419 CG1 VAL A 30 -9.608 -5.153 -3.780 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.181 -5.553 -1.760 1.00 0.00 C ATOM 0 H VAL A 30 -8.163 -7.997 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.659 -6.774 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.088 -6.677 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.911 -4.392 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.095 -5.621 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.361 -4.690 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.487 -4.784 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.948 -5.099 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.639 -6.303 -1.184 1.00 0.00 H new ATOM 430 N ARG A 31 -9.294 -8.941 -4.137 1.00 0.00 N ATOM 431 CA ARG A 31 -9.582 -10.170 -4.811 1.00 0.00 C ATOM 432 C ARG A 31 -8.786 -11.225 -4.123 1.00 0.00 C ATOM 433 O ARG A 31 -8.669 -11.206 -2.898 1.00 0.00 O ATOM 434 CB ARG A 31 -9.372 -10.046 -6.329 1.00 0.00 C ATOM 435 CG ARG A 31 -8.018 -9.520 -6.806 1.00 0.00 C ATOM 436 CD ARG A 31 -7.890 -9.637 -8.326 1.00 0.00 C ATOM 437 NE ARG A 31 -6.675 -8.905 -8.782 1.00 0.00 N ATOM 438 CZ ARG A 31 -6.710 -7.760 -9.523 1.00 0.00 C ATOM 439 NH1 ARG A 31 -7.863 -7.068 -9.759 1.00 0.00 N ATOM 440 NH2 ARG A 31 -5.553 -7.297 -10.080 1.00 0.00 N ATOM 0 H ARG A 31 -8.297 -8.735 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.634 -10.449 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.528 -11.029 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.148 -9.391 -6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.902 -8.478 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.216 -10.081 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.826 -10.686 -8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.777 -9.227 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.763 -9.282 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.747 -7.403 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.841 -6.216 -10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.680 -7.806 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.561 -6.443 -10.637 1.00 0.00 H new ATOM 454 N HIS A 32 -8.173 -12.174 -4.851 1.00 0.00 N ATOM 455 CA HIS A 32 -7.211 -13.111 -4.360 1.00 0.00 C ATOM 456 C HIS A 32 -5.889 -12.455 -4.156 1.00 0.00 C ATOM 457 O HIS A 32 -4.893 -12.696 -4.838 1.00 0.00 O ATOM 458 CB HIS A 32 -7.110 -14.320 -5.306 1.00 0.00 C ATOM 459 CG HIS A 32 -7.276 -13.958 -6.752 1.00 0.00 C ATOM 460 ND1 HIS A 32 -8.541 -13.892 -7.300 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.349 -13.558 -7.662 1.00 0.00 C ATOM 462 CE1 HIS A 32 -8.365 -13.474 -8.539 1.00 0.00 C ATOM 463 NE2 HIS A 32 -7.051 -13.251 -8.810 1.00 0.00 N ATOM 0 H HIS A 32 -8.362 -12.294 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.542 -13.477 -3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.141 -14.801 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.871 -15.051 -5.032 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.281 -13.494 -7.516 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.165 -13.327 -9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.660 -12.920 -9.692 1.00 0.00 H new ATOM 471 N GLY A 33 -5.861 -11.542 -3.168 1.00 0.00 N ATOM 472 CA GLY A 33 -4.787 -10.644 -2.879 1.00 0.00 C ATOM 473 C GLY A 33 -5.250 -9.241 -3.077 1.00 0.00 C ATOM 474 O GLY A 33 -6.418 -8.976 -3.358 1.00 0.00 O ATOM 0 H GLY A 33 -6.645 -11.425 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.446 -10.785 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.938 -10.854 -3.529 1.00 0.00 H new ATOM 478 N GLY A 34 -4.318 -8.286 -2.909 1.00 0.00 N ATOM 479 CA GLY A 34 -4.593 -6.888 -3.036 1.00 0.00 C ATOM 480 C GLY A 34 -4.795 -6.295 -1.685 1.00 0.00 C ATOM 481 O GLY A 34 -5.243 -6.969 -0.758 1.00 0.00 O ATOM 0 H GLY A 34 -3.346 -8.492 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.767 -6.389 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.482 -6.736 -3.648 1.00 0.00 H new ATOM 485 N ILE A 35 -4.486 -4.995 -1.524 1.00 0.00 N ATOM 486 CA ILE A 35 -4.522 -4.323 -0.263 1.00 0.00 C ATOM 487 C ILE A 35 -5.357 -3.102 -0.447 1.00 0.00 C ATOM 488 O ILE A 35 -5.557 -2.650 -1.573 1.00 0.00 O ATOM 489 CB ILE A 35 -3.163 -3.950 0.253 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.994 -4.829 -0.222 1.00 0.00 C ATOM 491 CG2 ILE A 35 -3.193 -3.930 1.790 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.916 -6.236 0.369 1.00 0.00 C ATOM 0 H ILE A 35 -4.202 -4.393 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.940 -4.998 0.484 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.962 -2.966 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.052 -4.917 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.063 -4.311 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.208 -3.659 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.926 -3.199 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.466 -4.918 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.051 -6.756 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.818 -6.171 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.823 -6.786 0.119 1.00 0.00 H new ATOM 504 N TYR A 36 -5.905 -2.514 0.631 1.00 0.00 N ATOM 505 CA TYR A 36 -6.697 -1.325 0.572 1.00 0.00 C ATOM 506 C TYR A 36 -6.119 -0.290 1.474 1.00 0.00 C ATOM 507 O TYR A 36 -5.355 -0.574 2.395 1.00 0.00 O ATOM 508 CB TYR A 36 -8.168 -1.617 0.913 1.00 0.00 C ATOM 509 CG TYR A 36 -9.085 -1.297 -0.217 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.291 0.006 -0.607 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.752 -2.301 -0.878 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.108 0.303 -1.672 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.580 -2.015 -1.937 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.744 -0.713 -2.347 1.00 0.00 C ATOM 515 OH TYR A 36 -11.570 -0.443 -3.458 1.00 0.00 O ATOM 0 H TYR A 36 -5.793 -2.879 1.577 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.680 -0.941 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.275 -2.669 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.458 -1.036 1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.804 0.806 -0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.624 -3.326 -0.562 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.250 1.329 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.101 -2.812 -2.446 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.248 0.361 -3.917 1.00 0.00 H new ATOM 525 N VAL A 37 -6.426 0.992 1.203 1.00 0.00 N ATOM 526 CA VAL A 37 -5.878 2.127 1.880 1.00 0.00 C ATOM 527 C VAL A 37 -6.728 2.552 3.027 1.00 0.00 C ATOM 528 O VAL A 37 -7.928 2.770 2.870 1.00 0.00 O ATOM 529 CB VAL A 37 -5.721 3.286 0.941 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.850 4.375 1.591 1.00 0.00 C ATOM 531 CG2 VAL A 37 -5.035 2.818 -0.353 1.00 0.00 C ATOM 0 H VAL A 37 -7.091 1.250 0.474 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.902 1.823 2.258 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.709 3.688 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.741 5.213 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.324 4.720 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.867 3.965 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.923 3.663 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.052 2.410 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.643 2.048 -0.829 1.00 0.00 H new ATOM 541 N LYS A 38 -6.153 2.713 4.232 1.00 0.00 N ATOM 542 CA LYS A 38 -6.883 3.134 5.386 1.00 0.00 C ATOM 543 C LYS A 38 -6.772 4.595 5.654 1.00 0.00 C ATOM 544 O LYS A 38 -7.761 5.320 5.555 1.00 0.00 O ATOM 545 CB LYS A 38 -6.476 2.347 6.644 1.00 0.00 C ATOM 546 CG LYS A 38 -7.429 2.519 7.829 1.00 0.00 C ATOM 547 CD LYS A 38 -6.914 1.766 9.057 1.00 0.00 C ATOM 548 CE LYS A 38 -7.917 1.513 10.185 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.284 2.750 10.908 1.00 0.00 N ATOM 0 H LYS A 38 -5.162 2.547 4.408 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.926 2.920 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.415 1.288 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.477 2.661 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.535 3.578 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.419 2.151 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.526 0.803 8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.073 2.324 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.817 1.058 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.493 0.797 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.965 2.523 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.432 3.173 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.714 3.425 10.244 1.00 0.00 H new ATOM 563 N ALA A 39 -5.583 5.099 6.027 1.00 0.00 N ATOM 564 CA ALA A 39 -5.447 6.454 6.463 1.00 0.00 C ATOM 565 C ALA A 39 -4.063 6.976 6.289 1.00 0.00 C ATOM 566 O ALA A 39 -3.089 6.226 6.328 1.00 0.00 O ATOM 567 CB ALA A 39 -5.848 6.581 7.943 1.00 0.00 C ATOM 0 H ALA A 39 -4.713 4.567 6.027 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.111 7.050 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.740 7.618 8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.885 6.270 8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.204 5.946 8.550 1.00 0.00 H new ATOM 573 N VAL A 40 -3.941 8.305 6.125 1.00 0.00 N ATOM 574 CA VAL A 40 -2.717 9.033 5.990 1.00 0.00 C ATOM 575 C VAL A 40 -2.229 9.428 7.341 1.00 0.00 C ATOM 576 O VAL A 40 -2.911 10.129 8.087 1.00 0.00 O ATOM 577 CB VAL A 40 -2.877 10.278 5.169 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.510 10.936 4.916 1.00 0.00 C ATOM 579 CG2 VAL A 40 -3.530 9.959 3.814 1.00 0.00 C ATOM 0 H VAL A 40 -4.758 8.914 6.084 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.008 8.378 5.483 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.517 10.961 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.645 11.838 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.050 11.197 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.865 10.240 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.636 10.877 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.904 9.255 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.513 9.519 3.979 1.00 0.00 H new ATOM 589 N ILE A 41 -1.021 8.973 7.722 1.00 0.00 N ATOM 590 CA ILE A 41 -0.376 9.291 8.958 1.00 0.00 C ATOM 591 C ILE A 41 0.352 10.584 8.826 1.00 0.00 C ATOM 592 O ILE A 41 1.081 10.725 7.846 1.00 0.00 O ATOM 593 CB ILE A 41 0.539 8.184 9.389 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.200 6.838 9.482 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.237 8.507 10.722 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.374 6.803 10.460 1.00 0.00 C ATOM 0 H ILE A 41 -0.466 8.350 7.136 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.133 9.399 9.735 1.00 0.00 H new ATOM 0 HB ILE A 41 1.306 8.096 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.567 6.575 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.516 6.069 9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.891 7.680 11.000 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.828 9.416 10.612 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.487 8.653 11.499 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.826 5.811 10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.017 7.030 11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.117 7.543 10.163 1.00 0.00 H new ATOM 608 N PRO A 42 0.269 11.562 9.679 1.00 0.00 N ATOM 609 CA PRO A 42 1.071 12.748 9.590 1.00 0.00 C ATOM 610 C PRO A 42 2.469 12.532 10.059 1.00 0.00 C ATOM 611 O PRO A 42 2.909 13.138 11.035 1.00 0.00 O ATOM 612 CB PRO A 42 0.315 13.758 10.451 1.00 0.00 C ATOM 613 CG PRO A 42 -0.327 12.898 11.551 1.00 0.00 C ATOM 614 CD PRO A 42 -0.682 11.618 10.778 1.00 0.00 C ATOM 0 HA PRO A 42 1.198 13.087 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.986 14.507 10.870 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.438 14.293 9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.362 12.702 12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.208 13.374 11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.600 10.737 11.415 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.708 11.651 10.410 1.00 0.00 H new ATOM 622 N GLN A 43 3.221 11.671 9.351 1.00 0.00 N ATOM 623 CA GLN A 43 4.616 11.439 9.564 1.00 0.00 C ATOM 624 C GLN A 43 5.202 10.820 8.342 1.00 0.00 C ATOM 625 O GLN A 43 5.804 9.747 8.360 1.00 0.00 O ATOM 626 CB GLN A 43 4.845 10.557 10.801 1.00 0.00 C ATOM 627 CG GLN A 43 6.294 10.516 11.293 1.00 0.00 C ATOM 628 CD GLN A 43 6.733 11.864 11.846 1.00 0.00 C ATOM 629 OE1 GLN A 43 6.416 12.201 12.987 1.00 0.00 O ATOM 630 NE2 GLN A 43 7.479 12.667 11.043 1.00 0.00 N ATOM 0 H GLN A 43 2.837 11.108 8.592 1.00 0.00 H new ATOM 0 HA GLN A 43 5.114 12.390 9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.210 10.917 11.611 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.524 9.541 10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.396 9.754 12.066 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.950 10.227 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.726 12.360 10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.792 13.577 11.381 1.00 0.00 H new ATOM 639 N GLY A 44 5.019 11.454 7.171 1.00 0.00 N ATOM 640 CA GLY A 44 5.643 10.950 5.987 1.00 0.00 C ATOM 641 C GLY A 44 5.443 11.834 4.805 1.00 0.00 C ATOM 642 O GLY A 44 4.760 12.855 4.876 1.00 0.00 O ATOM 0 H GLY A 44 4.454 12.294 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.711 10.830 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.244 9.960 5.766 1.00 0.00 H new ATOM 646 N ALA A 45 6.003 11.425 3.653 1.00 0.00 N ATOM 647 CA ALA A 45 5.914 12.100 2.395 1.00 0.00 C ATOM 648 C ALA A 45 4.531 12.243 1.862 1.00 0.00 C ATOM 649 O ALA A 45 4.197 13.256 1.247 1.00 0.00 O ATOM 650 CB ALA A 45 6.782 11.345 1.375 1.00 0.00 C ATOM 0 H ALA A 45 6.553 10.568 3.597 1.00 0.00 H new ATOM 0 HA ALA A 45 6.268 13.117 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.726 11.846 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.817 11.331 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.419 10.322 1.275 1.00 0.00 H new ATOM 656 N ALA A 46 3.651 11.264 2.135 1.00 0.00 N ATOM 657 CA ALA A 46 2.269 11.255 1.770 1.00 0.00 C ATOM 658 C ALA A 46 1.503 12.448 2.229 1.00 0.00 C ATOM 659 O ALA A 46 0.710 13.026 1.487 1.00 0.00 O ATOM 660 CB ALA A 46 1.593 10.001 2.351 1.00 0.00 C ATOM 0 H ALA A 46 3.924 10.424 2.644 1.00 0.00 H new ATOM 0 HA ALA A 46 2.253 11.265 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.539 9.994 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.079 9.109 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.681 10.010 3.437 1.00 0.00 H new ATOM 666 N GLU A 47 1.751 12.876 3.480 1.00 0.00 N ATOM 667 CA GLU A 47 1.164 14.036 4.077 1.00 0.00 C ATOM 668 C GLU A 47 1.996 15.254 3.866 1.00 0.00 C ATOM 669 O GLU A 47 1.495 16.306 3.467 1.00 0.00 O ATOM 670 CB GLU A 47 0.914 13.796 5.575 1.00 0.00 C ATOM 671 CG GLU A 47 0.028 14.842 6.254 1.00 0.00 C ATOM 672 CD GLU A 47 -1.456 14.733 5.931 1.00 0.00 C ATOM 673 OE1 GLU A 47 -1.846 14.718 4.732 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.268 14.742 6.894 1.00 0.00 O ATOM 0 H GLU A 47 2.393 12.389 4.106 1.00 0.00 H new ATOM 0 HA GLU A 47 0.208 14.213 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.455 12.815 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.875 13.766 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.157 14.761 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.376 15.834 5.965 1.00 0.00 H new ATOM 681 N SER A 48 3.317 15.176 4.105 1.00 0.00 N ATOM 682 CA SER A 48 4.200 16.300 4.063 1.00 0.00 C ATOM 683 C SER A 48 4.423 16.891 2.713 1.00 0.00 C ATOM 684 O SER A 48 4.525 18.112 2.607 1.00 0.00 O ATOM 685 CB SER A 48 5.574 16.036 4.701 1.00 0.00 C ATOM 686 OG SER A 48 5.429 15.856 6.102 1.00 0.00 O ATOM 0 H SER A 48 3.787 14.300 4.335 1.00 0.00 H new ATOM 0 HA SER A 48 3.649 17.026 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.027 15.150 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.245 16.872 4.500 1.00 0.00 H new ATOM 0 HG SER A 48 6.311 15.725 6.508 1.00 0.00 H new ATOM 692 N ASP A 49 4.490 16.097 1.630 1.00 0.00 N ATOM 693 CA ASP A 49 4.404 16.620 0.301 1.00 0.00 C ATOM 694 C ASP A 49 2.970 16.771 -0.078 1.00 0.00 C ATOM 695 O ASP A 49 2.551 17.839 -0.520 1.00 0.00 O ATOM 696 CB ASP A 49 5.226 15.786 -0.696 1.00 0.00 C ATOM 697 CG ASP A 49 5.573 16.573 -1.951 1.00 0.00 C ATOM 698 OD1 ASP A 49 6.081 17.718 -1.818 1.00 0.00 O ATOM 699 OD2 ASP A 49 5.383 16.056 -3.084 1.00 0.00 O ATOM 0 H ASP A 49 4.605 15.084 1.675 1.00 0.00 H new ATOM 0 HA ASP A 49 4.855 17.612 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.144 15.448 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.664 14.894 -0.972 1.00 0.00 H new ATOM 704 N GLY A 50 2.141 15.731 0.123 1.00 0.00 N ATOM 705 CA GLY A 50 0.730 15.793 -0.104 1.00 0.00 C ATOM 706 C GLY A 50 0.345 15.104 -1.369 1.00 0.00 C ATOM 707 O GLY A 50 0.307 15.727 -2.428 1.00 0.00 O ATOM 0 H GLY A 50 2.461 14.821 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.206 15.334 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.413 16.835 -0.146 1.00 0.00 H new ATOM 711 N ARG A 51 0.032 13.798 -1.312 1.00 0.00 N ATOM 712 CA ARG A 51 -0.075 13.009 -2.499 1.00 0.00 C ATOM 713 C ARG A 51 -1.230 12.068 -2.526 1.00 0.00 C ATOM 714 O ARG A 51 -2.038 12.124 -3.452 1.00 0.00 O ATOM 715 CB ARG A 51 1.237 12.246 -2.753 1.00 0.00 C ATOM 716 CG ARG A 51 1.432 11.697 -4.168 1.00 0.00 C ATOM 717 CD ARG A 51 1.931 12.692 -5.218 1.00 0.00 C ATOM 718 NE ARG A 51 0.797 13.547 -5.670 1.00 0.00 N ATOM 719 CZ ARG A 51 0.832 14.908 -5.759 1.00 0.00 C ATOM 720 NH1 ARG A 51 1.948 15.668 -5.563 1.00 0.00 N ATOM 721 NH2 ARG A 51 -0.324 15.569 -6.062 1.00 0.00 N ATOM 0 H ARG A 51 -0.147 13.289 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.264 13.722 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.070 12.911 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.292 11.414 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.138 10.868 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.482 11.287 -4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.724 13.312 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.359 12.158 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.071 13.079 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.835 15.221 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.895 16.683 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.186 15.045 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.326 16.586 -6.135 1.00 0.00 H new ATOM 735 N ILE A 52 -1.424 11.175 -1.539 1.00 0.00 N ATOM 736 CA ILE A 52 -2.322 10.067 -1.641 1.00 0.00 C ATOM 737 C ILE A 52 -3.243 10.131 -0.471 1.00 0.00 C ATOM 738 O ILE A 52 -2.847 10.589 0.599 1.00 0.00 O ATOM 739 CB ILE A 52 -1.550 8.781 -1.695 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.983 8.605 -3.114 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.398 7.559 -1.306 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.019 7.461 -3.254 1.00 0.00 C ATOM 0 H ILE A 52 -0.941 11.226 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.909 10.111 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.744 8.842 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.809 8.435 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.500 9.534 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.786 6.659 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.768 7.682 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.242 7.469 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.368 7.408 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.867 7.637 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.462 6.521 -2.985 1.00 0.00 H new ATOM 754 N HIS A 53 -4.515 9.723 -0.628 1.00 0.00 N ATOM 755 CA HIS A 53 -5.523 9.930 0.365 1.00 0.00 C ATOM 756 C HIS A 53 -6.097 8.649 0.867 1.00 0.00 C ATOM 757 O HIS A 53 -5.753 7.554 0.426 1.00 0.00 O ATOM 758 CB HIS A 53 -6.632 10.866 -0.142 1.00 0.00 C ATOM 759 CG HIS A 53 -7.450 10.387 -1.304 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.035 11.327 -2.127 1.00 0.00 N ATOM 761 CD2 HIS A 53 -7.801 9.132 -1.696 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.729 10.633 -3.012 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.610 9.294 -2.802 1.00 0.00 N ATOM 0 H HIS A 53 -4.850 9.240 -1.461 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.031 10.415 1.208 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.309 11.069 0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.173 11.815 -0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.507 8.200 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.317 11.074 -3.803 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.037 8.552 -3.356 1.00 0.00 H new ATOM 771 N LYS A 54 -6.967 8.710 1.891 1.00 0.00 N ATOM 772 CA LYS A 54 -7.790 7.617 2.309 1.00 0.00 C ATOM 773 C LYS A 54 -8.760 7.088 1.310 1.00 0.00 C ATOM 774 O LYS A 54 -9.472 7.835 0.639 1.00 0.00 O ATOM 775 CB LYS A 54 -8.423 7.893 3.684 1.00 0.00 C ATOM 776 CG LYS A 54 -9.326 9.124 3.777 1.00 0.00 C ATOM 777 CD LYS A 54 -9.713 9.493 5.212 1.00 0.00 C ATOM 778 CE LYS A 54 -8.581 9.927 6.145 1.00 0.00 C ATOM 779 NZ LYS A 54 -8.009 11.238 5.766 1.00 0.00 N ATOM 0 H LYS A 54 -7.103 9.553 2.449 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.097 6.781 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.005 7.018 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.621 8.000 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.819 9.972 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.233 8.944 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.445 10.299 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.211 8.634 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.956 9.979 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.794 9.173 6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.246 11.488 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.626 11.184 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.752 11.965 5.803 1.00 0.00 H new ATOM 793 N GLY A 55 -8.855 5.751 1.202 1.00 0.00 N ATOM 794 CA GLY A 55 -9.792 5.065 0.369 1.00 0.00 C ATOM 795 C GLY A 55 -9.544 4.996 -1.098 1.00 0.00 C ATOM 796 O GLY A 55 -10.488 4.795 -1.860 1.00 0.00 O ATOM 0 H GLY A 55 -8.248 5.117 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.871 4.042 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.766 5.533 0.516 1.00 0.00 H new ATOM 800 N ASP A 56 -8.277 5.071 -1.545 1.00 0.00 N ATOM 801 CA ASP A 56 -7.849 4.673 -2.850 1.00 0.00 C ATOM 802 C ASP A 56 -7.681 3.194 -2.922 1.00 0.00 C ATOM 803 O ASP A 56 -7.818 2.497 -1.919 1.00 0.00 O ATOM 804 CB ASP A 56 -6.509 5.350 -3.184 1.00 0.00 C ATOM 805 CG ASP A 56 -6.617 6.814 -3.585 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.600 7.186 -4.281 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.678 7.581 -3.243 1.00 0.00 O ATOM 0 H ASP A 56 -7.515 5.426 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.610 4.977 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.853 5.273 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.032 4.800 -3.995 1.00 0.00 H new ATOM 812 N ARG A 57 -7.357 2.625 -4.096 1.00 0.00 N ATOM 813 CA ARG A 57 -7.067 1.231 -4.231 1.00 0.00 C ATOM 814 C ARG A 57 -5.726 1.067 -4.857 1.00 0.00 C ATOM 815 O ARG A 57 -5.468 1.532 -5.967 1.00 0.00 O ATOM 816 CB ARG A 57 -8.120 0.469 -5.054 1.00 0.00 C ATOM 817 CG ARG A 57 -7.922 -1.048 -5.032 1.00 0.00 C ATOM 818 CD ARG A 57 -8.767 -1.864 -6.013 1.00 0.00 C ATOM 819 NE ARG A 57 -10.178 -1.918 -5.540 1.00 0.00 N ATOM 820 CZ ARG A 57 -11.114 -2.775 -6.044 1.00 0.00 C ATOM 821 NH1 ARG A 57 -10.823 -3.668 -7.034 1.00 0.00 N ATOM 822 NH2 ARG A 57 -12.380 -2.770 -5.532 1.00 0.00 N ATOM 0 H ARG A 57 -7.295 3.145 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.083 0.801 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.112 0.705 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.087 0.818 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.871 -1.257 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.132 -1.404 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.723 -1.415 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.365 -2.873 -6.102 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.461 -1.279 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.881 -3.710 -7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.548 -4.293 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.622 -2.128 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.083 -3.408 -5.905 1.00 0.00 H new ATOM 836 N VAL A 58 -4.785 0.389 -4.176 1.00 0.00 N ATOM 837 CA VAL A 58 -3.455 0.186 -4.663 1.00 0.00 C ATOM 838 C VAL A 58 -3.310 -1.113 -5.380 1.00 0.00 C ATOM 839 O VAL A 58 -4.044 -2.068 -5.129 1.00 0.00 O ATOM 840 CB VAL A 58 -2.440 0.270 -3.561 1.00 0.00 C ATOM 841 CG1 VAL A 58 -2.390 1.730 -3.081 1.00 0.00 C ATOM 842 CG2 VAL A 58 -2.780 -0.683 -2.404 1.00 0.00 C ATOM 0 H VAL A 58 -4.953 -0.030 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.269 0.992 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.463 -0.039 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.659 1.824 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.103 2.376 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.373 2.026 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.023 -0.594 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.756 -0.423 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.803 -1.709 -2.772 1.00 0.00 H new ATOM 852 N LEU A 59 -2.353 -1.202 -6.320 1.00 0.00 N ATOM 853 CA LEU A 59 -2.110 -2.396 -7.066 1.00 0.00 C ATOM 854 C LEU A 59 -0.687 -2.828 -6.983 1.00 0.00 C ATOM 855 O LEU A 59 -0.345 -3.726 -6.215 1.00 0.00 O ATOM 856 CB LEU A 59 -2.543 -2.217 -8.531 1.00 0.00 C ATOM 857 CG LEU A 59 -2.440 -3.481 -9.401 1.00 0.00 C ATOM 858 CD1 LEU A 59 -3.439 -4.561 -8.953 1.00 0.00 C ATOM 859 CD2 LEU A 59 -2.669 -3.139 -10.884 1.00 0.00 C ATOM 0 H LEU A 59 -1.736 -0.429 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.712 -3.187 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.575 -1.866 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.932 -1.434 -8.981 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.433 -3.879 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.336 -5.439 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.235 -4.839 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.454 -4.172 -9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.592 -4.047 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.661 -2.705 -11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.916 -2.423 -11.213 1.00 0.00 H new ATOM 871 N ALA A 60 0.214 -2.237 -7.787 1.00 0.00 N ATOM 872 CA ALA A 60 1.534 -2.744 -8.003 1.00 0.00 C ATOM 873 C ALA A 60 2.590 -2.077 -7.190 1.00 0.00 C ATOM 874 O ALA A 60 2.496 -0.903 -6.836 1.00 0.00 O ATOM 875 CB ALA A 60 1.891 -2.666 -9.496 1.00 0.00 C ATOM 0 H ALA A 60 0.018 -1.379 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 60 1.512 -3.781 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.898 -3.054 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.181 -3.260 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.848 -1.628 -9.827 1.00 0.00 H new ATOM 881 N VAL A 61 3.664 -2.823 -6.876 1.00 0.00 N ATOM 882 CA VAL A 61 4.827 -2.370 -6.179 1.00 0.00 C ATOM 883 C VAL A 61 5.913 -2.224 -7.189 1.00 0.00 C ATOM 884 O VAL A 61 6.601 -3.182 -7.538 1.00 0.00 O ATOM 885 CB VAL A 61 5.248 -3.306 -5.087 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.442 -2.733 -4.305 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.081 -3.539 -4.113 1.00 0.00 C ATOM 0 H VAL A 61 3.723 -3.810 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 61 4.607 -1.422 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 61 5.542 -4.249 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.730 -3.430 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.283 -2.584 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.161 -1.779 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.397 -4.220 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.779 -2.589 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.239 -3.973 -4.652 1.00 0.00 H new ATOM 897 N ASN A 62 6.062 -1.018 -7.766 1.00 0.00 N ATOM 898 CA ASN A 62 7.039 -0.687 -8.756 1.00 0.00 C ATOM 899 C ASN A 62 7.003 -1.546 -9.973 1.00 0.00 C ATOM 900 O ASN A 62 7.990 -2.179 -10.347 1.00 0.00 O ATOM 901 CB ASN A 62 8.435 -0.502 -8.136 1.00 0.00 C ATOM 902 CG ASN A 62 9.349 0.326 -9.028 1.00 0.00 C ATOM 903 OD1 ASN A 62 8.959 0.780 -10.102 1.00 0.00 O ATOM 904 ND2 ASN A 62 10.606 0.564 -8.566 1.00 0.00 N ATOM 0 H ASN A 62 5.464 -0.227 -7.526 1.00 0.00 H new ATOM 0 HA ASN A 62 6.756 0.289 -9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.339 -0.017 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.886 -1.479 -7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.252 1.132 -9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.903 0.175 -7.671 1.00 0.00 H new ATOM 911 N GLY A 63 5.827 -1.639 -10.618 1.00 0.00 N ATOM 912 CA GLY A 63 5.620 -2.398 -11.812 1.00 0.00 C ATOM 913 C GLY A 63 4.938 -3.707 -11.606 1.00 0.00 C ATOM 914 O GLY A 63 4.108 -4.109 -12.420 1.00 0.00 O ATOM 0 H GLY A 63 4.984 -1.165 -10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.030 -1.802 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.586 -2.577 -12.285 1.00 0.00 H new ATOM 918 N VAL A 64 5.281 -4.442 -10.533 1.00 0.00 N ATOM 919 CA VAL A 64 4.873 -5.795 -10.321 1.00 0.00 C ATOM 920 C VAL A 64 3.714 -5.873 -9.388 1.00 0.00 C ATOM 921 O VAL A 64 3.682 -5.198 -8.359 1.00 0.00 O ATOM 922 CB VAL A 64 6.013 -6.609 -9.788 1.00 0.00 C ATOM 923 CG1 VAL A 64 5.679 -8.111 -9.788 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.251 -6.387 -10.673 1.00 0.00 C ATOM 0 H VAL A 64 5.867 -4.078 -9.782 1.00 0.00 H new ATOM 0 HA VAL A 64 4.563 -6.201 -11.284 1.00 0.00 H new ATOM 0 HB VAL A 64 6.203 -6.291 -8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.527 -8.672 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.805 -8.289 -9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.468 -8.437 -10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.083 -6.977 -10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.028 -6.695 -11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.520 -5.331 -10.663 1.00 0.00 H new ATOM 934 N SER A 65 2.692 -6.696 -9.681 1.00 0.00 N ATOM 935 CA SER A 65 1.564 -6.872 -8.821 1.00 0.00 C ATOM 936 C SER A 65 1.900 -7.765 -7.677 1.00 0.00 C ATOM 937 O SER A 65 2.687 -8.702 -7.797 1.00 0.00 O ATOM 938 CB SER A 65 0.320 -7.414 -9.544 1.00 0.00 C ATOM 939 OG SER A 65 -0.846 -7.304 -8.741 1.00 0.00 O ATOM 0 H SER A 65 2.649 -7.252 -10.535 1.00 0.00 H new ATOM 0 HA SER A 65 1.317 -5.875 -8.455 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.173 -6.866 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.481 -8.459 -9.810 1.00 0.00 H new ATOM 0 HG SER A 65 -1.573 -7.822 -9.147 1.00 0.00 H new ATOM 945 N LEU A 66 1.328 -7.503 -6.488 1.00 0.00 N ATOM 946 CA LEU A 66 1.614 -8.254 -5.305 1.00 0.00 C ATOM 947 C LEU A 66 0.699 -9.413 -5.107 1.00 0.00 C ATOM 948 O LEU A 66 0.955 -10.259 -4.251 1.00 0.00 O ATOM 949 CB LEU A 66 1.694 -7.360 -4.056 1.00 0.00 C ATOM 950 CG LEU A 66 0.505 -6.440 -3.731 1.00 0.00 C ATOM 951 CD1 LEU A 66 -0.754 -7.183 -3.252 1.00 0.00 C ATOM 952 CD2 LEU A 66 0.914 -5.426 -2.648 1.00 0.00 C ATOM 0 H LEU A 66 0.652 -6.753 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 66 2.605 -8.681 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.856 -8.008 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.580 -6.733 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 66 0.248 -5.947 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.545 -6.462 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.086 -7.873 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.524 -7.741 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.069 -4.776 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.215 -5.959 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.748 -4.824 -3.009 1.00 0.00 H new ATOM 964 N GLU A 67 -0.380 -9.529 -5.901 1.00 0.00 N ATOM 965 CA GLU A 67 -1.415 -10.500 -5.736 1.00 0.00 C ATOM 966 C GLU A 67 -0.954 -11.917 -5.742 1.00 0.00 C ATOM 967 O GLU A 67 0.035 -12.288 -6.371 1.00 0.00 O ATOM 968 CB GLU A 67 -2.599 -10.250 -6.687 1.00 0.00 C ATOM 969 CG GLU A 67 -2.307 -10.411 -8.180 1.00 0.00 C ATOM 970 CD GLU A 67 -3.393 -9.784 -9.042 1.00 0.00 C ATOM 971 OE1 GLU A 67 -4.415 -10.458 -9.342 1.00 0.00 O ATOM 972 OE2 GLU A 67 -3.244 -8.592 -9.422 1.00 0.00 O ATOM 0 H GLU A 67 -0.538 -8.913 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.780 -10.350 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.405 -10.933 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.969 -9.239 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.347 -9.951 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.219 -11.471 -8.420 1.00 0.00 H new ATOM 979 N GLY A 68 -1.612 -12.755 -4.922 1.00 0.00 N ATOM 980 CA GLY A 68 -1.091 -14.019 -4.501 1.00 0.00 C ATOM 981 C GLY A 68 -0.460 -13.969 -3.152 1.00 0.00 C ATOM 982 O GLY A 68 -0.655 -14.861 -2.328 1.00 0.00 O ATOM 0 H GLY A 68 -2.535 -12.547 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.897 -14.753 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.355 -14.363 -5.228 1.00 0.00 H new ATOM 986 N ALA A 69 0.348 -12.933 -2.862 1.00 0.00 N ATOM 987 CA ALA A 69 1.012 -12.764 -1.606 1.00 0.00 C ATOM 988 C ALA A 69 0.143 -12.247 -0.512 1.00 0.00 C ATOM 989 O ALA A 69 -0.907 -11.645 -0.732 1.00 0.00 O ATOM 990 CB ALA A 69 2.237 -11.849 -1.768 1.00 0.00 C ATOM 0 H ALA A 69 0.546 -12.185 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 69 1.317 -13.766 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.732 -11.730 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.932 -12.294 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.917 -10.874 -2.135 1.00 0.00 H new ATOM 996 N THR A 70 0.569 -12.455 0.747 1.00 0.00 N ATOM 997 CA THR A 70 -0.044 -11.966 1.943 1.00 0.00 C ATOM 998 C THR A 70 0.410 -10.580 2.253 1.00 0.00 C ATOM 999 O THR A 70 1.400 -10.081 1.720 1.00 0.00 O ATOM 1000 CB THR A 70 0.326 -12.816 3.122 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.732 -13.014 3.170 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.342 -14.196 3.002 1.00 0.00 C ATOM 0 H THR A 70 1.405 -13.006 0.942 1.00 0.00 H new ATOM 0 HA THR A 70 -1.120 -11.989 1.770 1.00 0.00 H new ATOM 0 HB THR A 70 -0.009 -12.305 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.958 -13.569 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.069 -14.808 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.425 -14.075 2.972 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.006 -14.684 2.087 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.270 -9.907 3.198 1.00 0.00 N ATOM 1011 CA HIS A 71 0.108 -8.642 3.749 1.00 0.00 C ATOM 1012 C HIS A 71 1.431 -8.649 4.434 1.00 0.00 C ATOM 1013 O HIS A 71 2.207 -7.703 4.315 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.013 -8.140 4.674 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.839 -6.779 5.283 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.281 -5.680 4.663 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.246 -6.347 6.506 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.358 -4.648 5.546 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -0.935 -5.014 6.676 1.00 0.00 N ATOM 0 H HIS A 71 -1.135 -10.267 3.601 1.00 0.00 H new ATOM 0 HA HIS A 71 0.238 -7.950 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.944 -8.141 4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.132 -8.860 5.484 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.114 -5.648 3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.743 -6.962 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.008 -3.652 5.347 1.00 0.00 H new ATOM 1027 N LYS A 72 1.784 -9.734 5.146 1.00 0.00 N ATOM 1028 CA LYS A 72 3.071 -10.017 5.700 1.00 0.00 C ATOM 1029 C LYS A 72 4.184 -9.978 4.711 1.00 0.00 C ATOM 1030 O LYS A 72 5.237 -9.378 4.925 1.00 0.00 O ATOM 1031 CB LYS A 72 2.998 -11.413 6.343 1.00 0.00 C ATOM 1032 CG LYS A 72 4.264 -11.970 6.998 1.00 0.00 C ATOM 1033 CD LYS A 72 4.636 -11.303 8.324 1.00 0.00 C ATOM 1034 CE LYS A 72 5.771 -11.996 9.080 1.00 0.00 C ATOM 1035 NZ LYS A 72 7.095 -11.668 8.506 1.00 0.00 N ATOM 0 H LYS A 72 1.112 -10.474 5.350 1.00 0.00 H new ATOM 0 HA LYS A 72 3.300 -9.236 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.213 -11.392 7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.682 -12.118 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.131 -13.038 7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.097 -11.859 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.922 -10.269 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.754 -11.274 8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.745 -11.697 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.620 -13.075 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.838 -12.156 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.129 -11.976 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.250 -10.641 8.555 1.00 0.00 H new ATOM 1049 N GLN A 73 3.992 -10.605 3.537 1.00 0.00 N ATOM 1050 CA GLN A 73 4.958 -10.653 2.483 1.00 0.00 C ATOM 1051 C GLN A 73 5.047 -9.373 1.725 1.00 0.00 C ATOM 1052 O GLN A 73 6.118 -8.940 1.298 1.00 0.00 O ATOM 1053 CB GLN A 73 4.568 -11.837 1.581 1.00 0.00 C ATOM 1054 CG GLN A 73 5.588 -12.224 0.510 1.00 0.00 C ATOM 1055 CD GLN A 73 6.930 -12.602 1.122 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.030 -13.124 2.232 1.00 0.00 O ATOM 1057 NE2 GLN A 73 8.023 -12.325 0.362 1.00 0.00 N ATOM 0 H GLN A 73 3.128 -11.099 3.313 1.00 0.00 H new ATOM 0 HA GLN A 73 5.957 -10.794 2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.386 -12.706 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.625 -11.599 1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.204 -13.062 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.724 -11.392 -0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.910 -11.892 -0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.956 -12.550 0.708 1.00 0.00 H new ATOM 1066 N ALA A 74 3.913 -8.669 1.565 1.00 0.00 N ATOM 1067 CA ALA A 74 3.814 -7.379 0.955 1.00 0.00 C ATOM 1068 C ALA A 74 4.546 -6.298 1.674 1.00 0.00 C ATOM 1069 O ALA A 74 5.233 -5.490 1.050 1.00 0.00 O ATOM 1070 CB ALA A 74 2.331 -6.997 0.812 1.00 0.00 C ATOM 0 H ALA A 74 3.010 -9.022 1.881 1.00 0.00 H new ATOM 0 HA ALA A 74 4.296 -7.465 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.252 -6.014 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.824 -7.734 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.865 -6.971 1.797 1.00 0.00 H new ATOM 1076 N VAL A 75 4.463 -6.216 3.014 1.00 0.00 N ATOM 1077 CA VAL A 75 5.148 -5.211 3.765 1.00 0.00 C ATOM 1078 C VAL A 75 6.617 -5.438 3.873 1.00 0.00 C ATOM 1079 O VAL A 75 7.392 -4.498 4.040 1.00 0.00 O ATOM 1080 CB VAL A 75 4.558 -4.946 5.118 1.00 0.00 C ATOM 1081 CG1 VAL A 75 3.103 -4.488 4.921 1.00 0.00 C ATOM 1082 CG2 VAL A 75 4.630 -6.161 6.059 1.00 0.00 C ATOM 0 H VAL A 75 3.912 -6.857 3.585 1.00 0.00 H new ATOM 0 HA VAL A 75 4.998 -4.311 3.169 1.00 0.00 H new ATOM 0 HB VAL A 75 5.146 -4.168 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.650 -4.288 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.086 -3.580 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.541 -5.271 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.187 -5.903 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.083 -6.995 5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.672 -6.447 6.205 1.00 0.00 H new ATOM 1092 N GLU A 76 7.086 -6.691 3.738 1.00 0.00 N ATOM 1093 CA GLU A 76 8.473 -7.016 3.608 1.00 0.00 C ATOM 1094 C GLU A 76 9.044 -6.539 2.317 1.00 0.00 C ATOM 1095 O GLU A 76 10.098 -5.907 2.285 1.00 0.00 O ATOM 1096 CB GLU A 76 8.683 -8.533 3.762 1.00 0.00 C ATOM 1097 CG GLU A 76 10.137 -8.986 3.617 1.00 0.00 C ATOM 1098 CD GLU A 76 10.335 -10.413 4.104 1.00 0.00 C ATOM 1099 OE1 GLU A 76 10.043 -10.672 5.302 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.809 -11.286 3.329 1.00 0.00 O ATOM 0 H GLU A 76 6.477 -7.509 3.719 1.00 0.00 H new ATOM 0 HA GLU A 76 9.005 -6.498 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.315 -8.841 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.078 -9.049 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.438 -8.914 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.785 -8.316 4.182 1.00 0.00 H new ATOM 1107 N THR A 77 8.315 -6.769 1.210 1.00 0.00 N ATOM 1108 CA THR A 77 8.645 -6.383 -0.128 1.00 0.00 C ATOM 1109 C THR A 77 8.795 -4.909 -0.284 1.00 0.00 C ATOM 1110 O THR A 77 9.632 -4.420 -1.043 1.00 0.00 O ATOM 1111 CB THR A 77 7.639 -6.905 -1.112 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.597 -8.323 -1.065 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.991 -6.540 -2.564 1.00 0.00 C ATOM 0 H THR A 77 7.424 -7.264 1.255 1.00 0.00 H new ATOM 0 HA THR A 77 9.615 -6.834 -0.340 1.00 0.00 H new ATOM 0 HB THR A 77 6.688 -6.452 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.101 -8.609 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.231 -6.942 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.030 -5.456 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.962 -6.964 -2.821 1.00 0.00 H new ATOM 1121 N LEU A 78 8.016 -4.123 0.478 1.00 0.00 N ATOM 1122 CA LEU A 78 8.087 -2.695 0.483 1.00 0.00 C ATOM 1123 C LEU A 78 9.221 -2.182 1.300 1.00 0.00 C ATOM 1124 O LEU A 78 10.057 -1.419 0.815 1.00 0.00 O ATOM 1125 CB LEU A 78 6.748 -2.147 1.007 1.00 0.00 C ATOM 1126 CG LEU A 78 6.496 -0.633 0.913 1.00 0.00 C ATOM 1127 CD1 LEU A 78 7.186 0.195 2.012 1.00 0.00 C ATOM 1128 CD2 LEU A 78 6.804 -0.055 -0.478 1.00 0.00 C ATOM 0 H LEU A 78 7.311 -4.495 1.114 1.00 0.00 H new ATOM 0 HA LEU A 78 8.269 -2.352 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.947 -2.652 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.657 -2.435 2.054 1.00 0.00 H new ATOM 0 HG LEU A 78 5.424 -0.540 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.956 1.251 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.827 -0.127 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.265 0.048 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.606 1.017 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.852 -0.230 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.173 -0.541 -1.222 1.00 0.00 H new ATOM 1140 N ARG A 79 9.324 -2.572 2.583 1.00 0.00 N ATOM 1141 CA ARG A 79 10.242 -1.985 3.510 1.00 0.00 C ATOM 1142 C ARG A 79 11.689 -2.246 3.268 1.00 0.00 C ATOM 1143 O ARG A 79 12.530 -1.640 3.930 1.00 0.00 O ATOM 1144 CB ARG A 79 9.887 -2.337 4.965 1.00 0.00 C ATOM 1145 CG ARG A 79 8.732 -1.520 5.546 1.00 0.00 C ATOM 1146 CD ARG A 79 8.607 -1.706 7.059 1.00 0.00 C ATOM 1147 NE ARG A 79 7.624 -0.735 7.617 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.993 0.368 8.331 1.00 0.00 C ATOM 1149 NH1 ARG A 79 9.241 0.914 8.246 1.00 0.00 N ATOM 1150 NH2 ARG A 79 7.081 0.980 9.141 1.00 0.00 N ATOM 0 H ARG A 79 8.754 -3.315 2.987 1.00 0.00 H new ATOM 0 HA ARG A 79 10.113 -0.917 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.631 -3.395 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.770 -2.191 5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.885 -0.464 5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.800 -1.816 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.290 -2.725 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.579 -1.563 7.532 1.00 0.00 H new ATOM 0 HE ARG A 79 6.630 -0.902 7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.939 0.497 7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.475 1.739 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.132 0.613 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.348 1.805 9.678 1.00 0.00 H new ATOM 1164 N ASN A 80 12.075 -3.085 2.291 1.00 0.00 N ATOM 1165 CA ASN A 80 13.443 -3.224 1.900 1.00 0.00 C ATOM 1166 C ASN A 80 13.919 -2.233 0.894 1.00 0.00 C ATOM 1167 O ASN A 80 15.024 -2.317 0.361 1.00 0.00 O ATOM 1168 CB ASN A 80 13.821 -4.673 1.551 1.00 0.00 C ATOM 1169 CG ASN A 80 13.204 -5.196 0.261 1.00 0.00 C ATOM 1170 OD1 ASN A 80 13.617 -4.846 -0.844 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.202 -6.106 0.385 1.00 0.00 N ATOM 0 H ASN A 80 11.430 -3.675 1.765 1.00 0.00 H new ATOM 0 HA ASN A 80 14.003 -2.966 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 80 14.906 -4.743 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.517 -5.322 2.373 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.777 -6.513 -0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.875 -6.382 1.311 1.00 0.00 H new ATOM 1178 N THR A 81 13.104 -1.188 0.661 1.00 0.00 N ATOM 1179 CA THR A 81 13.435 -0.035 -0.117 1.00 0.00 C ATOM 1180 C THR A 81 13.761 1.109 0.780 1.00 0.00 C ATOM 1181 O THR A 81 14.847 1.147 1.359 1.00 0.00 O ATOM 1182 CB THR A 81 12.453 0.320 -1.194 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.124 0.523 -0.738 1.00 0.00 O ATOM 1184 CG2 THR A 81 12.417 -0.819 -2.227 1.00 0.00 C ATOM 0 H THR A 81 12.158 -1.147 1.039 1.00 0.00 H new ATOM 0 HA THR A 81 14.325 -0.299 -0.688 1.00 0.00 H new ATOM 0 HB THR A 81 12.799 1.266 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.801 -0.292 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.706 -0.573 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.409 -0.949 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.110 -1.744 -1.738 1.00 0.00 H new ATOM 1192 N GLY A 82 12.865 2.095 0.958 1.00 0.00 N ATOM 1193 CA GLY A 82 13.075 3.227 1.807 1.00 0.00 C ATOM 1194 C GLY A 82 13.135 4.519 1.066 1.00 0.00 C ATOM 1195 O GLY A 82 12.374 5.442 1.352 1.00 0.00 O ATOM 0 H GLY A 82 11.958 2.105 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.271 3.275 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.004 3.090 2.360 1.00 0.00 H new ATOM 1199 N GLN A 83 14.061 4.649 0.100 1.00 0.00 N ATOM 1200 CA GLN A 83 14.329 5.868 -0.596 1.00 0.00 C ATOM 1201 C GLN A 83 13.275 6.306 -1.554 1.00 0.00 C ATOM 1202 O GLN A 83 12.637 7.335 -1.339 1.00 0.00 O ATOM 1203 CB GLN A 83 15.705 5.813 -1.281 1.00 0.00 C ATOM 1204 CG GLN A 83 16.162 7.140 -1.891 1.00 0.00 C ATOM 1205 CD GLN A 83 17.610 7.065 -2.351 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.511 7.639 -1.740 1.00 0.00 O ATOM 1207 NE2 GLN A 83 17.867 6.306 -3.449 1.00 0.00 N ATOM 0 H GLN A 83 14.647 3.873 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 83 14.329 6.635 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.447 5.488 -0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 83 15.676 5.057 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.522 7.394 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.052 7.938 -1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.102 5.841 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.825 6.202 -3.784 1.00 0.00 H new ATOM 1216 N VAL A 84 13.068 5.575 -2.664 1.00 0.00 N ATOM 1217 CA VAL A 84 12.170 5.964 -3.707 1.00 0.00 C ATOM 1218 C VAL A 84 10.956 5.101 -3.751 1.00 0.00 C ATOM 1219 O VAL A 84 11.000 3.889 -3.547 1.00 0.00 O ATOM 1220 CB VAL A 84 12.873 6.031 -5.031 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.176 4.640 -5.614 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.078 6.889 -6.031 1.00 0.00 C ATOM 0 H VAL A 84 13.539 4.688 -2.841 1.00 0.00 H new ATOM 0 HA VAL A 84 11.819 6.970 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 84 13.836 6.509 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.685 4.750 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.815 4.088 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.243 4.095 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.608 6.923 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.090 6.453 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.972 7.901 -5.639 1.00 0.00 H new ATOM 1232 N VAL A 85 9.785 5.713 -4.003 1.00 0.00 N ATOM 1233 CA VAL A 85 8.505 5.075 -4.000 1.00 0.00 C ATOM 1234 C VAL A 85 7.874 5.205 -5.343 1.00 0.00 C ATOM 1235 O VAL A 85 7.480 6.293 -5.762 1.00 0.00 O ATOM 1236 CB VAL A 85 7.608 5.676 -2.958 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.205 5.049 -3.005 1.00 0.00 C ATOM 1238 CG2 VAL A 85 8.230 5.451 -1.569 1.00 0.00 C ATOM 0 H VAL A 85 9.729 6.708 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 85 8.648 4.021 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 85 7.508 6.743 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.577 5.504 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.762 5.221 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.279 3.977 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.584 5.885 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.338 4.382 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.210 5.927 -1.528 1.00 0.00 H new ATOM 1248 N HIS A 86 7.723 4.085 -6.073 1.00 0.00 N ATOM 1249 CA HIS A 86 6.932 4.034 -7.263 1.00 0.00 C ATOM 1250 C HIS A 86 5.799 3.094 -7.034 1.00 0.00 C ATOM 1251 O HIS A 86 5.986 1.898 -6.815 1.00 0.00 O ATOM 1252 CB HIS A 86 7.749 3.622 -8.499 1.00 0.00 C ATOM 1253 CG HIS A 86 7.057 3.846 -9.811 1.00 0.00 C ATOM 1254 ND1 HIS A 86 7.725 4.520 -10.813 1.00 0.00 N ATOM 1255 CD2 HIS A 86 5.808 3.505 -10.227 1.00 0.00 C ATOM 1256 CE1 HIS A 86 6.862 4.619 -11.807 1.00 0.00 C ATOM 1257 NE2 HIS A 86 5.685 4.005 -11.506 1.00 0.00 N ATOM 0 H HIS A 86 8.160 3.196 -5.831 1.00 0.00 H new ATOM 0 HA HIS A 86 6.556 5.035 -7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.687 4.177 -8.499 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.004 2.566 -8.414 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.064 2.955 -9.669 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.064 5.123 -12.740 1.00 0.00 H new ATOM 0 HE2 HIS A 86 4.868 3.929 -12.111 1.00 0.00 H new ATOM 1265 N LEU A 87 4.562 3.621 -7.050 1.00 0.00 N ATOM 1266 CA LEU A 87 3.365 2.910 -6.725 1.00 0.00 C ATOM 1267 C LEU A 87 2.384 3.102 -7.829 1.00 0.00 C ATOM 1268 O LEU A 87 2.339 4.166 -8.445 1.00 0.00 O ATOM 1269 CB LEU A 87 2.800 3.453 -5.401 1.00 0.00 C ATOM 1270 CG LEU A 87 1.444 2.914 -4.915 1.00 0.00 C ATOM 1271 CD1 LEU A 87 1.505 1.448 -4.452 1.00 0.00 C ATOM 1272 CD2 LEU A 87 0.922 3.786 -3.760 1.00 0.00 C ATOM 0 H LEU A 87 4.388 4.594 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 87 3.570 1.846 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.535 3.258 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.714 4.536 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 87 0.768 2.955 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.516 1.129 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.832 0.818 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.210 1.356 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.039 3.401 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.635 3.764 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.799 4.812 -4.106 1.00 0.00 H new ATOM 1284 N LEU A 88 1.552 2.083 -8.111 1.00 0.00 N ATOM 1285 CA LEU A 88 0.558 2.099 -9.138 1.00 0.00 C ATOM 1286 C LEU A 88 -0.747 1.870 -8.455 1.00 0.00 C ATOM 1287 O LEU A 88 -0.920 0.893 -7.728 1.00 0.00 O ATOM 1288 CB LEU A 88 0.861 0.986 -10.154 1.00 0.00 C ATOM 1289 CG LEU A 88 0.085 0.932 -11.481 1.00 0.00 C ATOM 1290 CD1 LEU A 88 -1.400 0.556 -11.347 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.241 2.206 -12.328 1.00 0.00 C ATOM 0 H LEU A 88 1.575 1.203 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 88 0.540 3.042 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.921 1.049 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.707 0.033 -9.648 1.00 0.00 H new ATOM 0 HG LEU A 88 0.563 0.109 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.863 0.544 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.486 -0.432 -10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.906 1.289 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.331 2.102 -13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.129 3.064 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.293 2.356 -12.569 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.702 2.801 -8.625 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.925 2.836 -7.886 1.00 0.00 C ATOM 1305 C LEU A 89 -4.052 3.264 -8.762 1.00 0.00 C ATOM 1306 O LEU A 89 -3.873 3.912 -9.792 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.852 3.752 -6.652 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.398 5.209 -6.843 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.758 6.012 -5.582 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.894 5.429 -7.084 1.00 0.00 C ATOM 0 H LEU A 89 -1.619 3.558 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.099 1.821 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.841 3.771 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.177 3.286 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.912 5.533 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.440 7.047 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.836 5.980 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.253 5.579 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.697 6.494 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.330 5.049 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.589 4.900 -7.987 1.00 0.00 H new ATOM 1322 N GLU A 90 -5.289 2.911 -8.370 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.497 3.423 -8.940 1.00 0.00 C ATOM 1324 C GLU A 90 -7.074 4.403 -7.978 1.00 0.00 C ATOM 1325 O GLU A 90 -7.041 4.207 -6.765 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.523 2.308 -9.203 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.777 2.783 -9.940 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.808 1.675 -10.108 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.648 0.844 -11.041 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.808 1.642 -9.342 1.00 0.00 O ATOM 0 H GLU A 90 -5.455 2.238 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.267 3.889 -9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.047 1.520 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.818 1.867 -8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.225 3.612 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.495 3.165 -10.921 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.637 5.509 -8.498 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.312 6.491 -7.707 1.00 0.00 C ATOM 1339 C LYS A 91 -9.551 5.979 -7.056 1.00 0.00 C ATOM 1340 O LYS A 91 -10.365 5.269 -7.645 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.665 7.723 -8.557 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.405 8.463 -9.011 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.660 9.535 -10.074 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.350 10.128 -10.596 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.597 10.983 -11.778 1.00 0.00 N ATOM 0 H LYS A 91 -7.622 5.726 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.614 6.762 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.242 7.413 -9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.297 8.397 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.938 8.930 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.693 7.738 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.220 9.102 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.277 10.328 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.872 10.714 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.661 9.325 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.060 11.869 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.293 10.483 -12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.612 11.199 -11.844 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.715 6.318 -5.766 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.865 5.992 -4.980 1.00 0.00 C ATOM 1361 C GLY A 92 -12.044 6.852 -5.281 1.00 0.00 C ATOM 1362 O GLY A 92 -11.949 7.919 -5.888 1.00 0.00 O ATOM 0 H GLY A 92 -9.013 6.844 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.131 4.949 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.614 6.087 -3.924 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.718 -9.262 11.370 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.261 -8.003 11.869 1.00 0.00 C ATOM 1562 C GLN B 11 -2.251 -6.960 10.805 1.00 0.00 C ATOM 1563 O GLN B 11 -2.414 -7.254 9.622 1.00 0.00 O ATOM 1564 CB GLN B 11 -0.932 -8.021 12.643 1.00 0.00 C ATOM 1565 CG GLN B 11 0.365 -8.046 11.832 1.00 0.00 C ATOM 1566 CD GLN B 11 1.552 -7.552 12.647 1.00 0.00 C ATOM 1567 OE1 GLN B 11 1.423 -6.968 13.723 1.00 0.00 O ATOM 1568 NE2 GLN B 11 2.784 -7.745 12.103 1.00 0.00 N ATOM 0 HA GLN B 11 -3.004 -7.744 12.624 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.907 -7.142 13.287 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.936 -8.894 13.295 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.558 -9.062 11.487 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.250 -7.425 10.944 1.00 0.00 H new ATOM 0 HE21 GLN B 11 2.877 -8.230 11.211 1.00 0.00 H new ATOM 0 HE22 GLN B 11 3.614 -7.404 12.587 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.032 -5.700 11.221 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.183 -4.501 10.456 1.00 0.00 C ATOM 1579 C VAL B 12 -0.866 -3.804 10.439 1.00 0.00 C ATOM 1580 O VAL B 12 -0.005 -4.088 11.271 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.273 -3.677 11.074 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -2.908 -3.141 12.469 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -3.713 -2.543 10.133 1.00 0.00 C ATOM 0 H VAL B 12 -1.723 -5.505 12.173 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.473 -4.698 9.424 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.120 -4.347 11.220 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.738 -2.553 12.861 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.707 -3.977 13.139 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.020 -2.512 12.396 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.504 -1.963 10.608 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.863 -1.894 9.923 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.084 -2.968 9.200 1.00 0.00 H new ATOM 1593 N SER B 13 -0.597 -2.915 9.468 1.00 0.00 N ATOM 1594 CA SER B 13 0.719 -2.396 9.252 1.00 0.00 C ATOM 1595 C SER B 13 0.722 -0.951 8.885 1.00 0.00 C ATOM 1596 O SER B 13 -0.280 -0.421 8.408 1.00 0.00 O ATOM 1597 CB SER B 13 1.456 -3.127 8.118 1.00 0.00 C ATOM 1598 OG SER B 13 1.373 -4.538 8.261 1.00 0.00 O ATOM 0 H SER B 13 -1.300 -2.551 8.824 1.00 0.00 H new ATOM 0 HA SER B 13 1.222 -2.546 10.207 1.00 0.00 H new ATOM 0 HB2 SER B 13 1.030 -2.833 7.159 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.503 -2.823 8.109 1.00 0.00 H new ATOM 0 HG SER B 13 0.501 -4.849 7.940 1.00 0.00 H new ATOM 1604 N ALA B 14 1.867 -0.272 9.077 1.00 0.00 N ATOM 1605 CA ALA B 14 2.070 1.063 8.604 1.00 0.00 C ATOM 1606 C ALA B 14 3.481 1.291 8.186 1.00 0.00 C ATOM 1607 O ALA B 14 4.386 0.536 8.540 1.00 0.00 O ATOM 1608 CB ALA B 14 1.672 2.090 9.678 1.00 0.00 C ATOM 0 H ALA B 14 2.670 -0.659 9.572 1.00 0.00 H new ATOM 0 HA ALA B 14 1.431 1.194 7.730 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.835 3.098 9.296 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.619 1.963 9.930 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.280 1.938 10.570 1.00 0.00 H new ATOM 1614 N VAL B 15 3.713 2.349 7.389 1.00 0.00 N ATOM 1615 CA VAL B 15 4.990 2.823 6.955 1.00 0.00 C ATOM 1616 C VAL B 15 4.903 4.343 6.940 1.00 0.00 C ATOM 1617 O VAL B 15 3.815 4.890 6.616 1.00 0.00 O ATOM 1618 CB VAL B 15 5.396 2.374 5.583 1.00 0.00 C ATOM 1619 CG1 VAL B 15 6.860 2.753 5.298 1.00 0.00 C ATOM 1620 CG2 VAL B 15 5.237 0.857 5.391 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.906 5.034 7.264 1.00 0.00 O ATOM 0 H VAL B 15 2.949 2.915 7.021 1.00 0.00 H new ATOM 0 HA VAL B 15 5.737 2.419 7.638 1.00 0.00 H new ATOM 0 HB VAL B 15 4.730 2.883 4.886 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.134 2.418 4.298 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.975 3.835 5.363 1.00 0.00 H new ATOM 0 HG13 VAL B 15 7.509 2.275 6.031 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.544 0.584 4.381 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.860 0.331 6.115 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.194 0.579 5.541 1.00 0.00 H new