USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 548 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 67 GLN : amide:sc= -6.6! C(o=-7.1!,f=-13!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 177:sc= -0.502 (180deg=-0.019) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.44) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 111:sc= -0.615! USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= -1.85! (180deg=-3.54!) USER MOD Single : A 22 GLN : amide:sc= -15.3! C(o=-15!,f=-9.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -2.94! (180deg=-3.18!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 38 SER OG : rot 180:sc= 0.145 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -72:sc= -0.439 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -3.23! (180deg=-3.94!) USER MOD Single : A 56 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.28) USER MOD Single : A 62 SER OG : rot 180:sc= -0.471 USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= -0.368 (180deg=-0.777) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -16.346 0.800 -2.348 1.00 0.00 N ATOM 66 CA GLU A 4 -15.428 1.718 -1.622 1.00 0.00 C ATOM 67 C GLU A 4 -14.793 1.000 -0.432 1.00 0.00 C ATOM 68 O GLU A 4 -14.364 1.626 0.506 1.00 0.00 O ATOM 69 CB GLU A 4 -16.217 2.931 -1.120 1.00 0.00 C ATOM 70 CG GLU A 4 -15.963 4.126 -2.041 1.00 0.00 C ATOM 71 CD GLU A 4 -17.300 4.718 -2.494 1.00 0.00 C ATOM 72 OE1 GLU A 4 -18.085 3.987 -3.075 1.00 0.00 O ATOM 73 OE2 GLU A 4 -17.517 5.894 -2.252 1.00 0.00 O ATOM 0 HA GLU A 4 -14.640 2.042 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.282 2.699 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.919 3.175 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.377 4.882 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.380 3.813 -2.907 1.00 0.00 H new ATOM 80 N GLU A 5 -14.725 -0.301 -0.447 1.00 0.00 N ATOM 81 CA GLU A 5 -14.112 -1.008 0.708 1.00 0.00 C ATOM 82 C GLU A 5 -12.598 -0.750 0.737 1.00 0.00 C ATOM 83 O GLU A 5 -11.902 -1.177 1.637 1.00 0.00 O ATOM 84 CB GLU A 5 -14.362 -2.509 0.565 1.00 0.00 C ATOM 85 CG GLU A 5 -14.986 -3.050 1.852 1.00 0.00 C ATOM 86 CD GLU A 5 -13.879 -3.467 2.821 1.00 0.00 C ATOM 87 OE1 GLU A 5 -12.759 -3.642 2.371 1.00 0.00 O ATOM 88 OE2 GLU A 5 -14.169 -3.603 3.999 1.00 0.00 O ATOM 0 H GLU A 5 -15.064 -0.899 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.557 -0.640 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.024 -2.699 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.425 -3.026 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.617 -2.289 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.627 -3.902 1.627 1.00 0.00 H new ATOM 95 N LEU A 6 -12.088 -0.057 -0.244 1.00 0.00 N ATOM 96 CA LEU A 6 -10.621 0.228 -0.292 1.00 0.00 C ATOM 97 C LEU A 6 -10.302 1.437 0.560 1.00 0.00 C ATOM 98 O LEU A 6 -9.342 1.450 1.288 1.00 0.00 O ATOM 99 CB LEU A 6 -10.193 0.473 -1.745 1.00 0.00 C ATOM 100 CG LEU A 6 -10.707 -0.655 -2.661 1.00 0.00 C ATOM 101 CD1 LEU A 6 -10.665 -2.001 -1.930 1.00 0.00 C ATOM 102 CD2 LEU A 6 -12.145 -0.357 -3.091 1.00 0.00 C ATOM 0 H LEU A 6 -12.626 0.328 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.073 -0.629 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.582 1.432 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.106 0.530 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.064 -0.709 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.031 -2.786 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.639 -2.224 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.294 -1.952 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.504 -1.157 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.782 -0.290 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.174 0.589 -3.632 1.00 0.00 H new ATOM 114 N LYS A 7 -11.088 2.453 0.491 1.00 0.00 N ATOM 115 CA LYS A 7 -10.806 3.630 1.321 1.00 0.00 C ATOM 116 C LYS A 7 -10.668 3.191 2.788 1.00 0.00 C ATOM 117 O LYS A 7 -9.966 3.805 3.568 1.00 0.00 O ATOM 118 CB LYS A 7 -11.970 4.598 1.113 1.00 0.00 C ATOM 119 CG LYS A 7 -12.423 5.238 2.438 1.00 0.00 C ATOM 120 CD LYS A 7 -13.191 4.214 3.311 1.00 0.00 C ATOM 121 CE LYS A 7 -13.882 3.152 2.446 1.00 0.00 C ATOM 122 NZ LYS A 7 -14.541 2.146 3.328 1.00 0.00 N ATOM 0 H LYS A 7 -11.914 2.520 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.872 4.121 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.672 5.380 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.808 4.068 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.555 5.608 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.061 6.098 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.500 3.730 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.934 4.733 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.621 3.621 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.153 2.663 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.497 1.209 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.051 2.114 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.535 2.412 3.476 1.00 0.00 H new ATOM 136 N GLY A 8 -11.361 2.149 3.173 1.00 0.00 N ATOM 137 CA GLY A 8 -11.306 1.684 4.592 1.00 0.00 C ATOM 138 C GLY A 8 -10.078 0.801 4.840 1.00 0.00 C ATOM 139 O GLY A 8 -10.181 -0.402 4.963 1.00 0.00 O ATOM 0 H GLY A 8 -11.965 1.598 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.278 2.546 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.212 1.126 4.830 1.00 0.00 H new ATOM 143 N ILE A 9 -8.921 1.395 4.934 1.00 0.00 N ATOM 144 CA ILE A 9 -7.684 0.608 5.194 1.00 0.00 C ATOM 145 C ILE A 9 -6.494 1.530 4.999 1.00 0.00 C ATOM 146 O ILE A 9 -5.912 2.015 5.940 1.00 0.00 O ATOM 147 CB ILE A 9 -7.603 -0.580 4.224 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.147 -1.033 4.035 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.204 -0.201 2.880 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.047 -2.536 4.296 1.00 0.00 C ATOM 0 H ILE A 9 -8.779 2.401 4.841 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.690 0.214 6.210 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.171 -1.407 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.812 -0.805 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.494 -0.490 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.141 -1.051 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.249 0.079 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.654 0.641 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.015 -2.861 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.366 -2.750 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.689 -3.070 3.596 1.00 0.00 H new ATOM 162 N PHE A 10 -6.147 1.778 3.776 1.00 0.00 N ATOM 163 CA PHE A 10 -4.997 2.687 3.489 1.00 0.00 C ATOM 164 C PHE A 10 -5.040 3.883 4.429 1.00 0.00 C ATOM 165 O PHE A 10 -4.210 4.051 5.298 1.00 0.00 O ATOM 166 CB PHE A 10 -5.123 3.209 2.077 1.00 0.00 C ATOM 167 CG PHE A 10 -3.985 4.156 1.788 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.089 5.506 2.149 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.825 3.688 1.159 1.00 0.00 C ATOM 170 CE1 PHE A 10 -3.035 6.386 1.880 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.770 4.569 0.890 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.875 5.918 1.250 1.00 0.00 C ATOM 0 H PHE A 10 -6.608 1.392 2.952 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.066 2.135 3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.110 2.380 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.077 3.721 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.983 5.867 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.744 2.648 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.116 7.426 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.875 4.208 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.062 6.597 1.042 1.00 0.00 H new ATOM 182 N GLU A 11 -6.006 4.725 4.226 1.00 0.00 N ATOM 183 CA GLU A 11 -6.143 5.946 5.068 1.00 0.00 C ATOM 184 C GLU A 11 -5.817 5.631 6.532 1.00 0.00 C ATOM 185 O GLU A 11 -5.135 6.390 7.191 1.00 0.00 O ATOM 186 CB GLU A 11 -7.573 6.481 4.958 1.00 0.00 C ATOM 187 CG GLU A 11 -8.007 6.484 3.491 1.00 0.00 C ATOM 188 CD GLU A 11 -8.540 7.870 3.121 1.00 0.00 C ATOM 189 OE1 GLU A 11 -8.208 8.816 3.816 1.00 0.00 O ATOM 190 OE2 GLU A 11 -9.271 7.961 2.149 1.00 0.00 O ATOM 0 H GLU A 11 -6.718 4.621 3.503 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.441 6.700 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.250 5.862 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.627 7.490 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.164 6.224 2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.777 5.730 3.327 1.00 0.00 H new ATOM 197 N LYS A 12 -6.285 4.527 7.060 1.00 0.00 N ATOM 198 CA LYS A 12 -5.967 4.215 8.485 1.00 0.00 C ATOM 199 C LYS A 12 -4.458 3.995 8.617 1.00 0.00 C ATOM 200 O LYS A 12 -3.824 4.480 9.533 1.00 0.00 O ATOM 201 CB LYS A 12 -6.756 2.965 8.942 1.00 0.00 C ATOM 202 CG LYS A 12 -5.855 1.716 9.019 1.00 0.00 C ATOM 203 CD LYS A 12 -4.903 1.836 10.218 1.00 0.00 C ATOM 204 CE LYS A 12 -5.355 0.892 11.334 1.00 0.00 C ATOM 205 NZ LYS A 12 -4.181 0.517 12.172 1.00 0.00 N ATOM 0 H LYS A 12 -6.863 3.840 6.575 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.261 5.046 9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.201 3.153 9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.576 2.779 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.467 0.820 9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.283 1.612 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.886 1.592 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.889 2.863 10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.115 1.375 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.811 -0.001 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.487 -0.125 12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.471 0.040 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.765 1.374 12.590 1.00 0.00 H new ATOM 219 N TYR A 13 -3.883 3.256 7.707 1.00 0.00 N ATOM 220 CA TYR A 13 -2.421 2.985 7.766 1.00 0.00 C ATOM 221 C TYR A 13 -1.639 4.270 7.517 1.00 0.00 C ATOM 222 O TYR A 13 -0.426 4.281 7.531 1.00 0.00 O ATOM 223 CB TYR A 13 -2.058 1.932 6.724 1.00 0.00 C ATOM 224 CG TYR A 13 -2.232 0.576 7.354 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.482 -0.051 7.338 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.148 -0.038 7.987 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.644 -1.297 7.951 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.308 -1.281 8.603 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.557 -1.913 8.586 1.00 0.00 C ATOM 230 OH TYR A 13 -2.719 -3.142 9.194 1.00 0.00 O ATOM 0 H TYR A 13 -4.369 2.826 6.920 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.162 2.611 8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.696 2.029 5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.030 2.067 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.321 0.426 6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.185 0.450 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.607 -1.785 7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.469 -1.754 9.092 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.224 -3.823 8.692 1.00 0.00 H new ATOM 240 N ASP A 15 -2.325 5.360 7.317 1.00 0.00 N ATOM 241 CA ASP A 15 -1.646 6.647 7.106 1.00 0.00 C ATOM 242 C ASP A 15 -1.372 7.252 8.483 1.00 0.00 C ATOM 243 O ASP A 15 -1.648 8.409 8.731 1.00 0.00 O ATOM 244 CB ASP A 15 -2.580 7.557 6.312 1.00 0.00 C ATOM 245 CG ASP A 15 -1.768 8.392 5.321 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.702 8.849 5.698 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.228 8.561 4.204 1.00 0.00 O ATOM 0 H ASP A 15 -3.344 5.404 7.292 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.711 6.525 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.319 6.959 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.128 8.211 6.990 1.00 0.00 H new ATOM 252 N LYS A 16 -0.852 6.461 9.391 1.00 0.00 N ATOM 253 CA LYS A 16 -0.574 6.964 10.768 1.00 0.00 C ATOM 254 C LYS A 16 0.736 7.769 10.790 1.00 0.00 C ATOM 255 O LYS A 16 1.490 7.706 11.741 1.00 0.00 O ATOM 256 CB LYS A 16 -0.448 5.781 11.743 1.00 0.00 C ATOM 257 CG LYS A 16 -1.141 4.527 11.181 1.00 0.00 C ATOM 258 CD LYS A 16 -1.303 3.495 12.298 1.00 0.00 C ATOM 259 CE LYS A 16 -2.071 4.120 13.465 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.107 4.708 14.437 1.00 0.00 N ATOM 0 H LYS A 16 -0.608 5.483 9.234 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.400 7.608 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.605 5.567 11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.892 6.047 12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.115 4.790 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.553 4.107 10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.836 2.621 11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.325 3.152 12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.748 4.891 13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.684 3.365 13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.189 4.215 15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.139 4.603 14.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.319 5.718 14.569 1.00 0.00 H new ATOM 274 N GLU A 17 1.011 8.531 9.765 1.00 0.00 N ATOM 275 CA GLU A 17 2.263 9.338 9.745 1.00 0.00 C ATOM 276 C GLU A 17 1.895 10.811 9.559 1.00 0.00 C ATOM 277 O GLU A 17 2.471 11.690 10.169 1.00 0.00 O ATOM 278 CB GLU A 17 3.148 8.880 8.585 1.00 0.00 C ATOM 279 CG GLU A 17 4.483 9.624 8.636 1.00 0.00 C ATOM 280 CD GLU A 17 5.070 9.713 7.227 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.566 9.025 6.354 1.00 0.00 O ATOM 282 OE2 GLU A 17 6.011 10.466 7.045 1.00 0.00 O ATOM 0 H GLU A 17 0.420 8.629 8.939 1.00 0.00 H new ATOM 0 HA GLU A 17 2.806 9.206 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.316 7.805 8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.649 9.072 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.339 10.624 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.176 9.105 9.298 1.00 0.00 H new ATOM 289 N GLY A 18 0.926 11.084 8.727 1.00 0.00 N ATOM 290 CA GLY A 18 0.499 12.488 8.503 1.00 0.00 C ATOM 291 C GLY A 18 1.160 13.051 7.243 1.00 0.00 C ATOM 292 O GLY A 18 1.652 14.163 7.238 1.00 0.00 O ATOM 0 H GLY A 18 0.410 10.386 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.586 12.534 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.766 13.098 9.366 1.00 0.00 H new ATOM 296 N ASP A 19 1.182 12.302 6.172 1.00 0.00 N ATOM 297 CA ASP A 19 1.821 12.819 4.926 1.00 0.00 C ATOM 298 C ASP A 19 0.881 12.651 3.721 1.00 0.00 C ATOM 299 O ASP A 19 1.226 12.998 2.609 1.00 0.00 O ATOM 300 CB ASP A 19 3.126 12.062 4.671 1.00 0.00 C ATOM 301 CG ASP A 19 4.303 13.036 4.762 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.387 13.740 5.755 1.00 0.00 O ATOM 303 OD2 ASP A 19 5.099 13.061 3.839 1.00 0.00 O ATOM 0 H ASP A 19 0.789 11.363 6.106 1.00 0.00 H new ATOM 0 HA ASP A 19 2.029 13.881 5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.244 11.262 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.102 11.594 3.687 1.00 0.00 H new ATOM 308 N GLY A 20 -0.300 12.124 3.922 1.00 0.00 N ATOM 309 CA GLY A 20 -1.243 11.942 2.781 1.00 0.00 C ATOM 310 C GLY A 20 -0.983 10.590 2.117 1.00 0.00 C ATOM 311 O GLY A 20 -1.887 9.932 1.644 1.00 0.00 O ATOM 0 H GLY A 20 -0.651 11.812 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.273 11.994 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.114 12.746 2.056 1.00 0.00 H new ATOM 315 N GLN A 22 0.252 10.177 2.074 1.00 0.00 N ATOM 316 CA GLN A 22 0.594 8.883 1.441 1.00 0.00 C ATOM 317 C GLN A 22 1.425 8.043 2.419 1.00 0.00 C ATOM 318 O GLN A 22 1.541 8.375 3.583 1.00 0.00 O ATOM 319 CB GLN A 22 1.359 9.170 0.139 1.00 0.00 C ATOM 320 CG GLN A 22 2.442 10.220 0.395 1.00 0.00 C ATOM 321 CD GLN A 22 3.557 9.630 1.260 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.162 10.332 2.045 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.862 8.364 1.155 1.00 0.00 N ATOM 0 H GLN A 22 1.046 10.691 2.457 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.303 8.314 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.811 8.252 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.670 9.524 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.853 10.568 -0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.007 11.088 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.357 7.771 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.605 7.969 1.731 1.00 0.00 H new ATOM 332 N LEU A 23 1.970 6.939 1.979 1.00 0.00 N ATOM 333 CA LEU A 23 2.740 6.076 2.905 1.00 0.00 C ATOM 334 C LEU A 23 4.170 5.884 2.458 1.00 0.00 C ATOM 335 O LEU A 23 4.421 5.432 1.361 1.00 0.00 O ATOM 336 CB LEU A 23 2.199 4.657 2.871 1.00 0.00 C ATOM 337 CG LEU A 23 0.702 4.586 3.053 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.265 3.245 2.465 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.373 4.615 4.549 1.00 0.00 C ATOM 0 H LEU A 23 1.912 6.603 1.018 1.00 0.00 H new ATOM 0 HA LEU A 23 2.667 6.568 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.465 4.197 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.682 4.072 3.654 1.00 0.00 H new ATOM 0 HG LEU A 23 0.197 5.421 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.815 3.137 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.534 3.206 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.764 2.435 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.707 4.564 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.841 3.763 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.750 5.539 4.987 1.00 0.00 H new ATOM 351 N SER A 24 5.098 6.044 3.339 1.00 0.00 N ATOM 352 CA SER A 24 6.467 5.663 2.964 1.00 0.00 C ATOM 353 C SER A 24 6.377 4.149 3.131 1.00 0.00 C ATOM 354 O SER A 24 5.460 3.694 3.780 1.00 0.00 O ATOM 355 CB SER A 24 7.481 6.275 3.933 1.00 0.00 C ATOM 356 OG SER A 24 8.730 6.427 3.271 1.00 0.00 O ATOM 0 H SER A 24 4.973 6.413 4.282 1.00 0.00 H new ATOM 0 HA SER A 24 6.791 5.992 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.124 7.242 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.596 5.636 4.809 1.00 0.00 H new ATOM 0 HG SER A 24 9.382 6.820 3.888 1.00 0.00 H new ATOM 362 N LYS A 25 7.207 3.331 2.567 1.00 0.00 N ATOM 363 CA LYS A 25 6.952 1.875 2.788 1.00 0.00 C ATOM 364 C LYS A 25 6.768 1.572 4.278 1.00 0.00 C ATOM 365 O LYS A 25 6.219 0.550 4.642 1.00 0.00 O ATOM 366 CB LYS A 25 8.074 1.009 2.225 1.00 0.00 C ATOM 367 CG LYS A 25 7.586 0.334 0.952 1.00 0.00 C ATOM 368 CD LYS A 25 7.840 -1.167 1.062 1.00 0.00 C ATOM 369 CE LYS A 25 9.293 -1.465 0.688 1.00 0.00 C ATOM 370 NZ LYS A 25 10.182 -0.430 1.288 1.00 0.00 N ATOM 0 H LYS A 25 8.012 3.578 1.991 1.00 0.00 H new ATOM 0 HA LYS A 25 6.033 1.631 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.952 1.620 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.375 0.260 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.523 0.527 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.106 0.742 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.637 -1.508 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.164 -1.711 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.576 -2.455 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.406 -1.473 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.174 -0.660 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.950 0.501 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.043 -0.408 2.318 1.00 0.00 H new ATOM 384 N GLU A 26 7.201 2.440 5.146 1.00 0.00 N ATOM 385 CA GLU A 26 7.019 2.175 6.599 1.00 0.00 C ATOM 386 C GLU A 26 5.535 1.909 6.878 1.00 0.00 C ATOM 387 O GLU A 26 5.184 1.019 7.622 1.00 0.00 O ATOM 388 CB GLU A 26 7.483 3.392 7.398 1.00 0.00 C ATOM 389 CG GLU A 26 9.000 3.326 7.589 1.00 0.00 C ATOM 390 CD GLU A 26 9.564 4.743 7.729 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.950 5.659 7.206 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.602 4.887 8.353 1.00 0.00 O ATOM 0 H GLU A 26 7.670 3.316 4.915 1.00 0.00 H new ATOM 0 HA GLU A 26 7.607 1.306 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.211 4.309 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.984 3.417 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.239 2.739 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.462 2.823 6.740 1.00 0.00 H new ATOM 399 N GLU A 27 4.665 2.688 6.287 1.00 0.00 N ATOM 400 CA GLU A 27 3.199 2.507 6.509 1.00 0.00 C ATOM 401 C GLU A 27 2.605 1.512 5.497 1.00 0.00 C ATOM 402 O GLU A 27 1.554 0.948 5.731 1.00 0.00 O ATOM 403 CB GLU A 27 2.506 3.861 6.363 1.00 0.00 C ATOM 404 CG GLU A 27 3.001 4.804 7.460 1.00 0.00 C ATOM 405 CD GLU A 27 1.813 5.275 8.299 1.00 0.00 C ATOM 406 OE1 GLU A 27 1.170 6.230 7.896 1.00 0.00 O ATOM 407 OE2 GLU A 27 1.568 4.673 9.332 1.00 0.00 O ATOM 0 H GLU A 27 4.911 3.449 5.654 1.00 0.00 H new ATOM 0 HA GLU A 27 3.042 2.107 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.715 4.285 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.425 3.739 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.728 4.294 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.509 5.660 7.017 1.00 0.00 H new ATOM 414 N LEU A 28 3.245 1.288 4.376 1.00 0.00 N ATOM 415 CA LEU A 28 2.666 0.327 3.381 1.00 0.00 C ATOM 416 C LEU A 28 2.990 -1.121 3.776 1.00 0.00 C ATOM 417 O LEU A 28 2.101 -1.910 4.011 1.00 0.00 O ATOM 418 CB LEU A 28 3.213 0.611 1.980 1.00 0.00 C ATOM 419 CG LEU A 28 2.398 -0.181 0.951 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.420 0.757 0.238 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.341 -0.811 -0.077 1.00 0.00 C ATOM 0 H LEU A 28 4.129 1.720 4.107 1.00 0.00 H new ATOM 0 HA LEU A 28 1.584 0.459 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.156 1.678 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.265 0.330 1.923 1.00 0.00 H new ATOM 0 HG LEU A 28 1.841 -0.967 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.842 0.192 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.745 1.203 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.976 1.545 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.760 -1.374 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.901 -0.026 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.035 -1.482 0.429 1.00 0.00 H new ATOM 433 N LYS A 29 4.250 -1.483 3.847 1.00 0.00 N ATOM 434 CA LYS A 29 4.609 -2.885 4.224 1.00 0.00 C ATOM 435 C LYS A 29 3.708 -3.360 5.367 1.00 0.00 C ATOM 436 O LYS A 29 3.467 -4.539 5.534 1.00 0.00 O ATOM 437 CB LYS A 29 6.071 -2.929 4.679 1.00 0.00 C ATOM 438 CG LYS A 29 6.409 -4.330 5.196 1.00 0.00 C ATOM 439 CD LYS A 29 7.761 -4.294 5.916 1.00 0.00 C ATOM 440 CE LYS A 29 8.106 -5.691 6.442 1.00 0.00 C ATOM 441 NZ LYS A 29 7.813 -5.760 7.901 1.00 0.00 N ATOM 0 H LYS A 29 5.042 -0.868 3.660 1.00 0.00 H new ATOM 0 HA LYS A 29 4.472 -3.537 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.728 -2.669 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.240 -2.191 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.631 -4.676 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.445 -5.037 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.538 -3.950 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.725 -3.583 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.528 -6.445 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.158 -5.909 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.047 -6.708 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.383 -5.050 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.803 -5.569 8.062 1.00 0.00 H new ATOM 455 N LEU A 30 3.213 -2.448 6.153 1.00 0.00 N ATOM 456 CA LEU A 30 2.327 -2.828 7.290 1.00 0.00 C ATOM 457 C LEU A 30 0.919 -3.108 6.762 1.00 0.00 C ATOM 458 O LEU A 30 0.296 -4.093 7.107 1.00 0.00 O ATOM 459 CB LEU A 30 2.260 -1.673 8.294 1.00 0.00 C ATOM 460 CG LEU A 30 3.563 -0.874 8.262 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.559 0.149 9.400 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.746 -1.828 8.437 1.00 0.00 C ATOM 0 H LEU A 30 3.385 -1.447 6.057 1.00 0.00 H new ATOM 0 HA LEU A 30 2.726 -3.718 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.419 -1.022 8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.087 -2.062 9.297 1.00 0.00 H new ATOM 0 HG LEU A 30 3.652 -0.355 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.487 0.720 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.714 0.826 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.473 -0.369 10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.677 -1.261 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.659 -2.345 9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.747 -2.559 7.628 1.00 0.00 H new ATOM 474 N LEU A 31 0.414 -2.237 5.937 1.00 0.00 N ATOM 475 CA LEU A 31 -0.955 -2.425 5.384 1.00 0.00 C ATOM 476 C LEU A 31 -1.030 -3.725 4.579 1.00 0.00 C ATOM 477 O LEU A 31 -2.043 -4.396 4.565 1.00 0.00 O ATOM 478 CB LEU A 31 -1.289 -1.248 4.470 1.00 0.00 C ATOM 479 CG LEU A 31 -2.733 -1.375 3.991 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.373 0.010 3.936 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.751 -2.002 2.597 1.00 0.00 C ATOM 0 H LEU A 31 0.895 -1.395 5.619 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.668 -2.477 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.152 -0.308 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.611 -1.231 3.617 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.293 -2.006 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.404 -0.079 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.358 0.458 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.815 0.642 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.781 -2.094 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.193 -1.370 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.292 -2.990 2.636 1.00 0.00 H new ATOM 493 N LEU A 32 0.029 -4.086 3.907 1.00 0.00 N ATOM 494 CA LEU A 32 0.013 -5.329 3.110 1.00 0.00 C ATOM 495 C LEU A 32 -0.038 -6.523 4.060 1.00 0.00 C ATOM 496 O LEU A 32 -0.822 -7.428 3.889 1.00 0.00 O ATOM 497 CB LEU A 32 1.284 -5.369 2.269 1.00 0.00 C ATOM 498 CG LEU A 32 0.953 -4.954 0.834 1.00 0.00 C ATOM 499 CD1 LEU A 32 1.270 -3.469 0.650 1.00 0.00 C ATOM 500 CD2 LEU A 32 1.788 -5.780 -0.146 1.00 0.00 C ATOM 0 H LEU A 32 0.906 -3.565 3.880 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.857 -5.365 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.034 -4.699 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.710 -6.372 2.281 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.105 -5.128 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.035 -3.171 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.673 -2.880 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.329 -3.296 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.550 -5.482 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.847 -5.609 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.562 -6.838 -0.015 1.00 0.00 H new ATOM 512 N GLN A 33 0.778 -6.528 5.073 1.00 0.00 N ATOM 513 CA GLN A 33 0.748 -7.663 6.033 1.00 0.00 C ATOM 514 C GLN A 33 -0.416 -7.468 7.008 1.00 0.00 C ATOM 515 O GLN A 33 -0.847 -6.359 7.248 1.00 0.00 O ATOM 516 CB GLN A 33 2.065 -7.708 6.813 1.00 0.00 C ATOM 517 CG GLN A 33 2.180 -6.466 7.702 1.00 0.00 C ATOM 518 CD GLN A 33 3.225 -6.715 8.791 1.00 0.00 C ATOM 519 OE1 GLN A 33 4.128 -7.508 8.613 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.143 -6.062 9.918 1.00 0.00 N ATOM 0 H GLN A 33 1.462 -5.799 5.278 1.00 0.00 H new ATOM 0 HA GLN A 33 0.618 -8.599 5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.107 -8.610 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.907 -7.752 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.463 -5.601 7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.215 -6.238 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.385 -5.396 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.837 -6.217 10.649 1.00 0.00 H new ATOM 529 N THR A 34 -0.916 -8.540 7.571 1.00 0.00 N ATOM 530 CA THR A 34 -2.046 -8.438 8.548 1.00 0.00 C ATOM 531 C THR A 34 -3.398 -8.424 7.819 1.00 0.00 C ATOM 532 O THR A 34 -4.189 -9.336 7.955 1.00 0.00 O ATOM 533 CB THR A 34 -1.901 -7.157 9.377 1.00 0.00 C ATOM 534 OG1 THR A 34 -0.534 -6.957 9.703 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.721 -7.277 10.661 1.00 0.00 C ATOM 0 H THR A 34 -0.588 -9.489 7.395 1.00 0.00 H new ATOM 0 HA THR A 34 -2.011 -9.308 9.204 1.00 0.00 H new ATOM 0 HB THR A 34 -2.265 -6.309 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.440 -6.137 10.232 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.615 -6.364 11.247 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.771 -7.427 10.410 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.363 -8.126 11.243 1.00 0.00 H new ATOM 543 N GLU A 35 -3.683 -7.391 7.071 1.00 0.00 N ATOM 544 CA GLU A 35 -5.001 -7.321 6.369 1.00 0.00 C ATOM 545 C GLU A 35 -4.877 -7.847 4.935 1.00 0.00 C ATOM 546 O GLU A 35 -5.775 -8.483 4.421 1.00 0.00 O ATOM 547 CB GLU A 35 -5.483 -5.867 6.325 1.00 0.00 C ATOM 548 CG GLU A 35 -4.901 -5.087 7.509 1.00 0.00 C ATOM 549 CD GLU A 35 -3.713 -4.251 7.033 1.00 0.00 C ATOM 550 OE1 GLU A 35 -3.944 -3.271 6.345 1.00 0.00 O ATOM 551 OE2 GLU A 35 -2.593 -4.605 7.363 1.00 0.00 O ATOM 0 H GLU A 35 -3.064 -6.595 6.915 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.716 -7.937 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.178 -5.402 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.572 -5.835 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.664 -4.441 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.584 -5.776 8.292 1.00 0.00 H new ATOM 558 N PHE A 36 -3.783 -7.578 4.280 1.00 0.00 N ATOM 559 CA PHE A 36 -3.623 -8.054 2.875 1.00 0.00 C ATOM 560 C PHE A 36 -2.438 -9.024 2.787 1.00 0.00 C ATOM 561 O PHE A 36 -1.468 -8.748 2.112 1.00 0.00 O ATOM 562 CB PHE A 36 -3.347 -6.847 1.972 1.00 0.00 C ATOM 563 CG PHE A 36 -4.621 -6.070 1.716 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.762 -6.724 1.234 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.655 -4.688 1.950 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.934 -5.997 0.989 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.827 -3.963 1.703 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.967 -4.618 1.223 1.00 0.00 C ATOM 0 H PHE A 36 -2.994 -7.051 4.654 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.532 -8.564 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.607 -6.198 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.924 -7.183 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.738 -7.788 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.776 -4.182 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.814 -6.502 0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.851 -2.898 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.872 -4.059 1.033 1.00 0.00 H new ATOM 578 N PRO A 37 -2.540 -10.130 3.477 1.00 0.00 N ATOM 579 CA PRO A 37 -1.470 -11.155 3.494 1.00 0.00 C ATOM 580 C PRO A 37 -1.378 -11.865 2.146 1.00 0.00 C ATOM 581 O PRO A 37 -0.315 -12.031 1.583 1.00 0.00 O ATOM 582 CB PRO A 37 -1.947 -12.168 4.531 1.00 0.00 C ATOM 583 CG PRO A 37 -3.464 -11.940 4.678 1.00 0.00 C ATOM 584 CD PRO A 37 -3.717 -10.470 4.296 1.00 0.00 C ATOM 0 HA PRO A 37 -0.495 -10.718 3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.735 -13.187 4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.436 -12.023 5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.023 -12.613 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.790 -12.139 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.645 -10.353 3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.793 -9.832 5.177 1.00 0.00 H new ATOM 592 N SER A 38 -2.497 -12.328 1.662 1.00 0.00 N ATOM 593 CA SER A 38 -2.523 -13.082 0.392 1.00 0.00 C ATOM 594 C SER A 38 -1.539 -12.476 -0.614 1.00 0.00 C ATOM 595 O SER A 38 -0.852 -13.186 -1.321 1.00 0.00 O ATOM 596 CB SER A 38 -3.937 -13.055 -0.195 1.00 0.00 C ATOM 597 OG SER A 38 -4.837 -12.511 0.761 1.00 0.00 O ATOM 0 H SER A 38 -3.407 -12.210 2.106 1.00 0.00 H new ATOM 0 HA SER A 38 -2.229 -14.112 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.953 -12.457 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.247 -14.063 -0.470 1.00 0.00 H new ATOM 0 HG SER A 38 -5.742 -12.492 0.385 1.00 0.00 H new ATOM 603 N LEU A 39 -1.457 -11.173 -0.687 1.00 0.00 N ATOM 604 CA LEU A 39 -0.500 -10.557 -1.658 1.00 0.00 C ATOM 605 C LEU A 39 0.905 -10.550 -1.050 1.00 0.00 C ATOM 606 O LEU A 39 1.856 -10.993 -1.664 1.00 0.00 O ATOM 607 CB LEU A 39 -0.921 -9.122 -2.010 1.00 0.00 C ATOM 608 CG LEU A 39 -1.671 -8.493 -0.842 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.434 -6.981 -0.832 1.00 0.00 C ATOM 610 CD2 LEU A 39 -3.166 -8.780 -0.994 1.00 0.00 C ATOM 0 H LEU A 39 -2.001 -10.516 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.505 -11.148 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.041 -8.525 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.554 -9.128 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.311 -8.916 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.972 -6.534 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.368 -6.781 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.794 -6.550 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.709 -8.333 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.525 -8.355 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.331 -9.857 -0.998 1.00 0.00 H new ATOM 622 N LEU A 40 1.045 -10.061 0.154 1.00 0.00 N ATOM 623 CA LEU A 40 2.389 -10.037 0.796 1.00 0.00 C ATOM 624 C LEU A 40 2.604 -11.340 1.567 1.00 0.00 C ATOM 625 O LEU A 40 3.223 -11.364 2.613 1.00 0.00 O ATOM 626 CB LEU A 40 2.478 -8.852 1.761 1.00 0.00 C ATOM 627 CG LEU A 40 3.904 -8.749 2.303 1.00 0.00 C ATOM 628 CD1 LEU A 40 4.636 -7.606 1.599 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.860 -8.476 3.807 1.00 0.00 C ATOM 0 H LEU A 40 0.287 -9.678 0.719 1.00 0.00 H new ATOM 0 HA LEU A 40 3.156 -9.934 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.204 -7.930 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.773 -8.983 2.582 1.00 0.00 H new ATOM 0 HG LEU A 40 4.430 -9.686 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.653 -7.532 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.668 -7.800 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.110 -6.669 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.877 -8.403 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.333 -7.540 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.339 -9.291 4.310 1.00 0.00 H new ATOM 641 N LYS A 41 2.096 -12.426 1.056 1.00 0.00 N ATOM 642 CA LYS A 41 2.262 -13.732 1.749 1.00 0.00 C ATOM 643 C LYS A 41 3.002 -14.699 0.822 1.00 0.00 C ATOM 644 O LYS A 41 2.476 -15.719 0.422 1.00 0.00 O ATOM 645 CB LYS A 41 0.882 -14.297 2.091 1.00 0.00 C ATOM 646 CG LYS A 41 1.035 -15.696 2.685 1.00 0.00 C ATOM 647 CD LYS A 41 0.021 -15.882 3.814 1.00 0.00 C ATOM 648 CE LYS A 41 -0.920 -17.038 3.469 1.00 0.00 C ATOM 649 NZ LYS A 41 -0.512 -18.250 4.233 1.00 0.00 N ATOM 0 H LYS A 41 1.570 -12.465 0.183 1.00 0.00 H new ATOM 0 HA LYS A 41 2.835 -13.599 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.376 -13.643 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.262 -14.337 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.879 -16.450 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.048 -15.833 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.538 -16.087 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.550 -14.965 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.948 -16.770 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.888 -17.241 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.150 -19.038 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.463 -18.508 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.564 -18.052 5.253 1.00 0.00 H new ATOM 663 N GLY A 42 4.217 -14.379 0.470 1.00 0.00 N ATOM 664 CA GLY A 42 4.996 -15.266 -0.440 1.00 0.00 C ATOM 665 C GLY A 42 5.640 -14.410 -1.532 1.00 0.00 C ATOM 666 O GLY A 42 6.844 -14.396 -1.697 1.00 0.00 O ATOM 0 H GLY A 42 4.706 -13.537 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.762 -15.802 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.343 -16.017 -0.885 1.00 0.00 H new ATOM 670 N MET A 43 4.844 -13.686 -2.269 1.00 0.00 N ATOM 671 CA MET A 43 5.398 -12.813 -3.341 1.00 0.00 C ATOM 672 C MET A 43 5.179 -11.352 -2.943 1.00 0.00 C ATOM 673 O MET A 43 4.668 -11.064 -1.879 1.00 0.00 O ATOM 674 CB MET A 43 4.689 -13.101 -4.669 1.00 0.00 C ATOM 675 CG MET A 43 3.268 -13.602 -4.402 1.00 0.00 C ATOM 676 SD MET A 43 2.310 -13.547 -5.938 1.00 0.00 S ATOM 677 CE MET A 43 0.707 -13.176 -5.186 1.00 0.00 C ATOM 0 H MET A 43 3.829 -13.662 -2.174 1.00 0.00 H new ATOM 0 HA MET A 43 6.463 -13.010 -3.465 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.657 -12.197 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.247 -13.847 -5.235 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.297 -14.621 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.790 -12.985 -3.641 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.051 -13.096 -5.965 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.435 -13.975 -4.496 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.770 -12.233 -4.643 1.00 0.00 H new ATOM 687 N SER A 44 5.562 -10.426 -3.777 1.00 0.00 N ATOM 688 CA SER A 44 5.371 -8.993 -3.420 1.00 0.00 C ATOM 689 C SER A 44 5.971 -8.749 -2.031 1.00 0.00 C ATOM 690 O SER A 44 5.261 -8.604 -1.056 1.00 0.00 O ATOM 691 CB SER A 44 3.876 -8.670 -3.401 1.00 0.00 C ATOM 692 OG SER A 44 3.617 -7.677 -2.419 1.00 0.00 O ATOM 0 H SER A 44 5.996 -10.597 -4.684 1.00 0.00 H new ATOM 0 HA SER A 44 5.865 -8.354 -4.152 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.557 -8.318 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.302 -9.570 -3.183 1.00 0.00 H new ATOM 0 HG SER A 44 3.712 -8.068 -1.525 1.00 0.00 H new ATOM 698 N THR A 45 7.275 -8.741 -1.926 1.00 0.00 N ATOM 699 CA THR A 45 7.928 -8.553 -0.615 1.00 0.00 C ATOM 700 C THR A 45 8.429 -7.125 -0.421 1.00 0.00 C ATOM 701 O THR A 45 9.023 -6.553 -1.301 1.00 0.00 O ATOM 702 CB THR A 45 9.130 -9.467 -0.583 1.00 0.00 C ATOM 703 OG1 THR A 45 10.161 -8.919 -1.392 1.00 0.00 O ATOM 704 CG2 THR A 45 8.738 -10.842 -1.109 1.00 0.00 C ATOM 0 H THR A 45 7.916 -8.859 -2.710 1.00 0.00 H new ATOM 0 HA THR A 45 7.204 -8.769 0.170 1.00 0.00 H new ATOM 0 HB THR A 45 9.488 -9.564 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.942 -9.510 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.606 -11.501 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.948 -11.259 -0.484 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.379 -10.751 -2.134 1.00 0.00 H new ATOM 712 N LEU A 46 8.239 -6.587 0.756 1.00 0.00 N ATOM 713 CA LEU A 46 8.736 -5.208 1.083 1.00 0.00 C ATOM 714 C LEU A 46 8.926 -4.321 -0.164 1.00 0.00 C ATOM 715 O LEU A 46 8.079 -3.516 -0.496 1.00 0.00 O ATOM 716 CB LEU A 46 10.076 -5.329 1.804 1.00 0.00 C ATOM 717 CG LEU A 46 9.842 -5.371 3.313 1.00 0.00 C ATOM 718 CD1 LEU A 46 8.937 -6.556 3.657 1.00 0.00 C ATOM 719 CD2 LEU A 46 11.183 -5.530 4.032 1.00 0.00 C ATOM 0 H LEU A 46 7.751 -7.051 1.522 1.00 0.00 H new ATOM 0 HA LEU A 46 7.980 -4.732 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.595 -6.232 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.716 -4.485 1.548 1.00 0.00 H new ATOM 0 HG LEU A 46 9.365 -4.444 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.770 -6.586 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.981 -6.445 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.414 -7.483 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.017 -5.560 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.660 -6.457 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.829 -4.687 3.788 1.00 0.00 H new ATOM 731 N ASP A 47 10.044 -4.453 -0.846 1.00 0.00 N ATOM 732 CA ASP A 47 10.314 -3.616 -2.054 1.00 0.00 C ATOM 733 C ASP A 47 9.689 -4.244 -3.278 1.00 0.00 C ATOM 734 O ASP A 47 10.213 -4.181 -4.370 1.00 0.00 O ATOM 735 CB ASP A 47 11.801 -3.535 -2.285 1.00 0.00 C ATOM 736 CG ASP A 47 12.340 -2.195 -1.783 1.00 0.00 C ATOM 737 OD1 ASP A 47 11.759 -1.180 -2.126 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.325 -2.209 -1.063 1.00 0.00 O ATOM 0 H ASP A 47 10.785 -5.113 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 47 9.892 -2.625 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.302 -4.354 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.018 -3.648 -3.347 1.00 0.00 H new ATOM 743 N GLU A 48 8.610 -4.877 -3.090 1.00 0.00 N ATOM 744 CA GLU A 48 7.931 -5.549 -4.173 1.00 0.00 C ATOM 745 C GLU A 48 6.443 -5.401 -3.914 1.00 0.00 C ATOM 746 O GLU A 48 5.715 -6.340 -3.663 1.00 0.00 O ATOM 747 CB GLU A 48 8.373 -6.991 -4.117 1.00 0.00 C ATOM 748 CG GLU A 48 9.146 -7.350 -5.376 1.00 0.00 C ATOM 749 CD GLU A 48 8.198 -7.954 -6.414 1.00 0.00 C ATOM 750 OE1 GLU A 48 7.543 -8.931 -6.090 1.00 0.00 O ATOM 751 OE2 GLU A 48 8.142 -7.427 -7.513 1.00 0.00 O ATOM 0 H GLU A 48 8.148 -4.960 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 48 8.155 -5.144 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.997 -7.154 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.505 -7.642 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.627 -6.461 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.938 -8.060 -5.137 1.00 0.00 H new ATOM 758 N LEU A 49 6.029 -4.185 -3.953 1.00 0.00 N ATOM 759 CA LEU A 49 4.624 -3.809 -3.696 1.00 0.00 C ATOM 760 C LEU A 49 4.621 -2.290 -3.627 1.00 0.00 C ATOM 761 O LEU A 49 3.758 -1.627 -4.168 1.00 0.00 O ATOM 762 CB LEU A 49 4.126 -4.406 -2.368 1.00 0.00 C ATOM 763 CG LEU A 49 5.274 -4.515 -1.356 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.029 -3.555 -0.192 1.00 0.00 C ATOM 765 CD2 LEU A 49 5.343 -5.944 -0.821 1.00 0.00 C ATOM 0 H LEU A 49 6.636 -3.393 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 49 3.961 -4.187 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.332 -3.782 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.697 -5.392 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 49 6.212 -4.258 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.847 -3.636 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.975 -2.533 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.090 -3.811 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.158 -6.024 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.402 -6.195 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.519 -6.634 -1.647 1.00 0.00 H new ATOM 777 N PHE A 50 5.635 -1.731 -3.008 1.00 0.00 N ATOM 778 CA PHE A 50 5.746 -0.251 -2.956 1.00 0.00 C ATOM 779 C PHE A 50 6.345 0.189 -4.276 1.00 0.00 C ATOM 780 O PHE A 50 5.845 1.067 -4.951 1.00 0.00 O ATOM 781 CB PHE A 50 6.687 0.150 -1.820 1.00 0.00 C ATOM 782 CG PHE A 50 6.411 1.568 -1.358 1.00 0.00 C ATOM 783 CD1 PHE A 50 5.349 1.847 -0.485 1.00 0.00 C ATOM 784 CD2 PHE A 50 7.248 2.604 -1.790 1.00 0.00 C ATOM 785 CE1 PHE A 50 5.129 3.159 -0.045 1.00 0.00 C ATOM 786 CE2 PHE A 50 7.024 3.915 -1.355 1.00 0.00 C ATOM 787 CZ PHE A 50 5.967 4.193 -0.484 1.00 0.00 C ATOM 0 H PHE A 50 6.385 -2.240 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 50 4.773 0.210 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.566 -0.538 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.721 0.068 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.701 1.050 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.068 2.391 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.315 3.373 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.669 4.713 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.796 5.205 -0.149 1.00 0.00 H new ATOM 797 N GLU A 51 7.415 -0.441 -4.647 1.00 0.00 N ATOM 798 CA GLU A 51 8.072 -0.099 -5.933 1.00 0.00 C ATOM 799 C GLU A 51 7.352 -0.817 -7.071 1.00 0.00 C ATOM 800 O GLU A 51 7.380 -0.403 -8.214 1.00 0.00 O ATOM 801 CB GLU A 51 9.544 -0.521 -5.894 1.00 0.00 C ATOM 802 CG GLU A 51 9.657 -2.011 -5.551 1.00 0.00 C ATOM 803 CD GLU A 51 10.761 -2.644 -6.398 1.00 0.00 C ATOM 804 OE1 GLU A 51 10.492 -2.963 -7.544 1.00 0.00 O ATOM 805 OE2 GLU A 51 11.858 -2.799 -5.888 1.00 0.00 O ATOM 0 H GLU A 51 7.867 -1.183 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 51 8.021 0.978 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.012 -0.326 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.081 0.072 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.880 -2.136 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.707 -2.512 -5.738 1.00 0.00 H new ATOM 812 N GLU A 52 6.728 -1.905 -6.753 1.00 0.00 N ATOM 813 CA GLU A 52 6.008 -2.711 -7.769 1.00 0.00 C ATOM 814 C GLU A 52 4.863 -1.940 -8.427 1.00 0.00 C ATOM 815 O GLU A 52 4.504 -2.224 -9.553 1.00 0.00 O ATOM 816 CB GLU A 52 5.396 -3.911 -7.066 1.00 0.00 C ATOM 817 CG GLU A 52 6.168 -5.182 -7.428 1.00 0.00 C ATOM 818 CD GLU A 52 5.294 -6.078 -8.308 1.00 0.00 C ATOM 819 OE1 GLU A 52 4.326 -5.575 -8.855 1.00 0.00 O ATOM 820 OE2 GLU A 52 5.606 -7.252 -8.421 1.00 0.00 O ATOM 0 H GLU A 52 6.684 -2.282 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 52 6.725 -2.989 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.416 -3.759 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.350 -4.017 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.088 -4.924 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.457 -5.715 -6.522 1.00 0.00 H new ATOM 827 N LEU A 53 4.222 -1.028 -7.744 1.00 0.00 N ATOM 828 CA LEU A 53 3.070 -0.371 -8.374 1.00 0.00 C ATOM 829 C LEU A 53 3.077 1.136 -8.118 1.00 0.00 C ATOM 830 O LEU A 53 2.302 1.868 -8.694 1.00 0.00 O ATOM 831 CB LEU A 53 1.819 -1.013 -7.749 1.00 0.00 C ATOM 832 CG LEU A 53 0.547 -0.297 -8.189 1.00 0.00 C ATOM 833 CD1 LEU A 53 0.358 0.969 -7.356 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.653 0.056 -9.667 1.00 0.00 C ATOM 0 H LEU A 53 4.449 -0.723 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 53 3.096 -0.502 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.765 -2.063 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.897 -0.983 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.314 -0.949 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.552 1.480 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.277 0.702 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.213 1.630 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.255 0.568 -9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.512 0.709 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.778 -0.856 -10.251 1.00 0.00 H new ATOM 846 N ASP A 54 3.894 1.625 -7.240 1.00 0.00 N ATOM 847 CA ASP A 54 3.814 3.088 -6.980 1.00 0.00 C ATOM 848 C ASP A 54 5.116 3.842 -7.170 1.00 0.00 C ATOM 849 O ASP A 54 5.150 5.049 -7.049 1.00 0.00 O ATOM 850 CB ASP A 54 3.380 3.268 -5.552 1.00 0.00 C ATOM 851 CG ASP A 54 2.658 4.604 -5.393 1.00 0.00 C ATOM 852 OD1 ASP A 54 3.090 5.566 -6.005 1.00 0.00 O ATOM 853 OD2 ASP A 54 1.685 4.641 -4.662 1.00 0.00 O ATOM 0 H ASP A 54 4.590 1.104 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 54 3.115 3.499 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.721 2.451 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.247 3.232 -4.892 1.00 0.00 H new ATOM 858 N LYS A 55 6.176 3.178 -7.406 1.00 0.00 N ATOM 859 CA LYS A 55 7.452 3.876 -7.540 1.00 0.00 C ATOM 860 C LYS A 55 7.630 4.538 -8.900 1.00 0.00 C ATOM 861 O LYS A 55 8.507 4.177 -9.659 1.00 0.00 O ATOM 862 CB LYS A 55 8.552 2.878 -7.328 1.00 0.00 C ATOM 863 CG LYS A 55 9.005 2.977 -5.880 1.00 0.00 C ATOM 864 CD LYS A 55 10.048 4.096 -5.734 1.00 0.00 C ATOM 865 CE LYS A 55 9.380 5.388 -5.232 1.00 0.00 C ATOM 866 NZ LYS A 55 8.364 5.058 -4.191 1.00 0.00 N ATOM 0 H LYS A 55 6.219 2.165 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 55 7.479 4.673 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.200 1.870 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.384 3.080 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.150 3.179 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.431 2.027 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.827 3.787 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.532 4.278 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.132 6.061 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.906 5.910 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.087 5.926 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.527 4.638 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.768 4.380 -3.514 1.00 0.00 H new ATOM 880 N ASN A 56 6.892 5.576 -9.174 1.00 0.00 N ATOM 881 CA ASN A 56 7.140 6.310 -10.431 1.00 0.00 C ATOM 882 C ASN A 56 8.365 7.189 -10.144 1.00 0.00 C ATOM 883 O ASN A 56 8.841 7.926 -10.985 1.00 0.00 O ATOM 884 CB ASN A 56 5.937 7.190 -10.791 1.00 0.00 C ATOM 885 CG ASN A 56 4.668 6.632 -10.133 1.00 0.00 C ATOM 886 OD1 ASN A 56 4.136 5.635 -10.576 1.00 0.00 O ATOM 887 ND2 ASN A 56 4.152 7.230 -9.091 1.00 0.00 N ATOM 0 H ASN A 56 6.140 5.939 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 56 7.301 5.632 -11.269 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.111 8.213 -10.457 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.811 7.225 -11.873 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.308 6.858 -8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.594 8.068 -8.713 1.00 0.00 H new ATOM 894 N GLY A 57 8.877 7.087 -8.930 1.00 0.00 N ATOM 895 CA GLY A 57 10.074 7.875 -8.520 1.00 0.00 C ATOM 896 C GLY A 57 9.685 8.949 -7.505 1.00 0.00 C ATOM 897 O GLY A 57 9.959 10.117 -7.697 1.00 0.00 O ATOM 0 H GLY A 57 8.502 6.478 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.823 7.212 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.528 8.340 -9.395 1.00 0.00 H new ATOM 901 N ASP A 58 9.063 8.575 -6.415 1.00 0.00 N ATOM 902 CA ASP A 58 8.695 9.600 -5.409 1.00 0.00 C ATOM 903 C ASP A 58 8.672 9.003 -4.001 1.00 0.00 C ATOM 904 O ASP A 58 7.968 9.473 -3.132 1.00 0.00 O ATOM 905 CB ASP A 58 7.329 10.204 -5.749 1.00 0.00 C ATOM 906 CG ASP A 58 7.258 11.637 -5.218 1.00 0.00 C ATOM 907 OD1 ASP A 58 7.910 12.493 -5.793 1.00 0.00 O ATOM 908 OD2 ASP A 58 6.552 11.854 -4.248 1.00 0.00 O ATOM 0 H ASP A 58 8.800 7.617 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 58 9.449 10.387 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.175 10.197 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.534 9.602 -5.309 1.00 0.00 H new ATOM 913 N GLY A 59 9.474 8.000 -3.779 1.00 0.00 N ATOM 914 CA GLY A 59 9.572 7.342 -2.436 1.00 0.00 C ATOM 915 C GLY A 59 8.253 7.432 -1.658 1.00 0.00 C ATOM 916 O GLY A 59 8.254 7.509 -0.445 1.00 0.00 O ATOM 0 H GLY A 59 10.084 7.595 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.848 6.295 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.367 7.813 -1.858 1.00 0.00 H new ATOM 920 N GLU A 60 7.127 7.431 -2.323 1.00 0.00 N ATOM 921 CA GLU A 60 5.835 7.526 -1.563 1.00 0.00 C ATOM 922 C GLU A 60 4.682 6.854 -2.317 1.00 0.00 C ATOM 923 O GLU A 60 4.710 6.692 -3.520 1.00 0.00 O ATOM 924 CB GLU A 60 5.456 8.993 -1.339 1.00 0.00 C ATOM 925 CG GLU A 60 6.568 9.722 -0.579 1.00 0.00 C ATOM 926 CD GLU A 60 6.293 11.227 -0.591 1.00 0.00 C ATOM 927 OE1 GLU A 60 6.380 11.816 -1.657 1.00 0.00 O ATOM 928 OE2 GLU A 60 6.002 11.766 0.464 1.00 0.00 O ATOM 0 H GLU A 60 7.040 7.370 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 60 5.991 7.017 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.282 9.481 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.524 9.053 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.620 9.359 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.534 9.514 -1.039 1.00 0.00 H new ATOM 935 N VAL A 61 3.659 6.481 -1.590 1.00 0.00 N ATOM 936 CA VAL A 61 2.470 5.831 -2.204 1.00 0.00 C ATOM 937 C VAL A 61 1.196 6.383 -1.567 1.00 0.00 C ATOM 938 O VAL A 61 0.785 5.967 -0.503 1.00 0.00 O ATOM 939 CB VAL A 61 2.537 4.347 -1.941 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.203 3.701 -2.307 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.654 3.754 -2.783 1.00 0.00 C ATOM 0 H VAL A 61 3.601 6.604 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 61 2.460 6.029 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 61 2.736 4.161 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.253 2.629 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.408 4.140 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.993 3.872 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.715 2.681 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.449 3.934 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.601 4.221 -2.512 1.00 0.00 H new ATOM 951 N SER A 62 0.570 7.303 -2.216 1.00 0.00 N ATOM 952 CA SER A 62 -0.685 7.896 -1.661 1.00 0.00 C ATOM 953 C SER A 62 -1.853 6.918 -1.841 1.00 0.00 C ATOM 954 O SER A 62 -1.663 5.757 -2.138 1.00 0.00 O ATOM 955 CB SER A 62 -0.997 9.202 -2.397 1.00 0.00 C ATOM 956 OG SER A 62 -1.969 8.953 -3.404 1.00 0.00 O ATOM 0 H SER A 62 0.866 7.682 -3.116 1.00 0.00 H new ATOM 0 HA SER A 62 -0.547 8.095 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.367 9.949 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.089 9.607 -2.844 1.00 0.00 H new ATOM 0 HG SER A 62 -2.172 9.787 -3.876 1.00 0.00 H new ATOM 962 N PHE A 63 -3.064 7.392 -1.663 1.00 0.00 N ATOM 963 CA PHE A 63 -4.266 6.514 -1.819 1.00 0.00 C ATOM 964 C PHE A 63 -4.607 6.318 -3.292 1.00 0.00 C ATOM 965 O PHE A 63 -4.948 5.233 -3.690 1.00 0.00 O ATOM 966 CB PHE A 63 -5.457 7.149 -1.134 1.00 0.00 C ATOM 967 CG PHE A 63 -6.504 6.091 -1.088 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.199 4.862 -0.505 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.748 6.309 -1.663 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.141 3.849 -0.486 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.698 5.294 -1.653 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.400 4.056 -1.060 1.00 0.00 C ATOM 0 H PHE A 63 -3.272 8.359 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.038 5.548 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.198 7.488 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.806 8.022 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.225 4.700 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.977 7.262 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.905 2.900 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.667 5.458 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.139 3.268 -1.047 1.00 0.00 H new ATOM 982 N GLU A 64 -4.553 7.337 -4.112 1.00 0.00 N ATOM 983 CA GLU A 64 -4.909 7.115 -5.545 1.00 0.00 C ATOM 984 C GLU A 64 -3.720 6.455 -6.284 1.00 0.00 C ATOM 985 O GLU A 64 -3.901 5.712 -7.225 1.00 0.00 O ATOM 986 CB GLU A 64 -5.293 8.442 -6.193 1.00 0.00 C ATOM 987 CG GLU A 64 -6.489 9.028 -5.440 1.00 0.00 C ATOM 988 CD GLU A 64 -6.649 10.505 -5.800 1.00 0.00 C ATOM 989 OE1 GLU A 64 -5.644 11.190 -5.864 1.00 0.00 O ATOM 990 OE2 GLU A 64 -7.776 10.925 -6.004 1.00 0.00 O ATOM 0 H GLU A 64 -4.285 8.289 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.765 6.444 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.452 9.134 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.545 8.291 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.396 8.481 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.344 8.919 -4.365 1.00 0.00 H new ATOM 997 N GLU A 65 -2.513 6.619 -5.837 1.00 0.00 N ATOM 998 CA GLU A 65 -1.428 5.850 -6.509 1.00 0.00 C ATOM 999 C GLU A 65 -1.747 4.406 -6.113 1.00 0.00 C ATOM 1000 O GLU A 65 -1.732 3.474 -6.894 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.060 6.266 -5.961 1.00 0.00 C ATOM 1002 CG GLU A 65 0.042 7.793 -5.932 1.00 0.00 C ATOM 1003 CD GLU A 65 0.890 8.275 -7.112 1.00 0.00 C ATOM 1004 OE1 GLU A 65 0.725 7.737 -8.193 1.00 0.00 O ATOM 1005 OE2 GLU A 65 1.689 9.174 -6.912 1.00 0.00 O ATOM 0 H GLU A 65 -2.232 7.226 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.384 6.007 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.078 5.864 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.733 5.851 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.953 8.235 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.489 8.120 -4.993 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.118 4.299 -4.871 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.571 3.051 -4.215 1.00 0.00 C ATOM 1014 C PHE A 66 -3.985 2.720 -4.701 1.00 0.00 C ATOM 1015 O PHE A 66 -4.529 1.677 -4.446 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.645 3.435 -2.754 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.450 2.429 -2.034 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -4.836 2.539 -2.064 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.830 1.362 -1.400 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.610 1.578 -1.454 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -3.606 0.383 -0.804 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.993 0.499 -0.833 1.00 0.00 C ATOM 0 H PHE A 66 -2.123 5.099 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.924 2.197 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.643 3.491 -2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.093 4.423 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.303 3.375 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.752 1.296 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.687 1.662 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.140 -0.463 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.599 -0.262 -0.365 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.605 3.637 -5.339 1.00 0.00 N ATOM 1033 CA GLN A 67 -5.982 3.429 -5.790 1.00 0.00 C ATOM 1034 C GLN A 67 -6.093 2.058 -6.409 1.00 0.00 C ATOM 1035 O GLN A 67 -6.491 1.097 -5.796 1.00 0.00 O ATOM 1036 CB GLN A 67 -6.337 4.535 -6.842 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.602 5.288 -6.481 1.00 0.00 C ATOM 1038 CD GLN A 67 -8.563 4.235 -6.102 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -9.399 3.806 -6.872 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -8.465 3.805 -4.915 1.00 0.00 N ATOM 0 H GLN A 67 -4.208 4.547 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.676 3.495 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.508 5.238 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.458 4.075 -7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.430 5.983 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.968 5.875 -7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.752 4.185 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.099 3.078 -4.582 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.724 1.982 -7.611 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.771 0.686 -8.335 1.00 0.00 C ATOM 1051 C VAL A 68 -5.080 -0.383 -7.503 1.00 0.00 C ATOM 1052 O VAL A 68 -5.306 -1.555 -7.683 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.094 0.821 -9.699 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -6.035 1.540 -10.667 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.804 1.629 -9.548 1.00 0.00 C ATOM 0 H VAL A 68 -5.378 2.769 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.810 0.398 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.860 -0.170 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.552 1.636 -11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.955 0.966 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.269 2.531 -10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.320 1.726 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.039 2.620 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.133 1.118 -8.858 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.266 0.016 -6.576 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.588 -0.968 -5.695 1.00 0.00 C ATOM 1067 C LEU A 69 -4.622 -1.931 -5.143 1.00 0.00 C ATOM 1068 O LEU A 69 -4.539 -3.132 -5.302 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.955 -0.218 -4.533 1.00 0.00 C ATOM 1070 CG LEU A 69 -2.001 -1.131 -3.847 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.082 -1.835 -4.849 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -1.157 -0.366 -2.831 1.00 0.00 C ATOM 0 H LEU A 69 -4.038 0.992 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.830 -1.515 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.437 0.671 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.723 0.120 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.591 -1.886 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.398 -2.494 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.683 -2.422 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.510 -1.091 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.466 -1.053 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.592 0.414 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.809 0.087 -2.084 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.587 -1.392 -4.486 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.663 -2.236 -3.891 1.00 0.00 C ATOM 1086 C VAL A 70 -7.303 -3.111 -4.977 1.00 0.00 C ATOM 1087 O VAL A 70 -7.565 -4.278 -4.768 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.734 -1.342 -3.253 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.331 -1.014 -1.831 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.854 -0.028 -4.011 1.00 0.00 C ATOM 0 H VAL A 70 -5.689 -0.390 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.227 -2.877 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.684 -1.876 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.090 -0.379 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.237 -1.936 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.375 -0.491 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.618 0.593 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.898 0.494 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.132 -0.229 -5.046 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.557 -2.560 -6.135 1.00 0.00 N ATOM 1101 CA LYS A 71 -8.178 -3.369 -7.228 1.00 0.00 C ATOM 1102 C LYS A 71 -7.170 -4.401 -7.731 1.00 0.00 C ATOM 1103 O LYS A 71 -7.525 -5.403 -8.317 1.00 0.00 O ATOM 1104 CB LYS A 71 -8.575 -2.446 -8.380 1.00 0.00 C ATOM 1105 CG LYS A 71 -9.030 -1.103 -7.812 1.00 0.00 C ATOM 1106 CD LYS A 71 -9.915 -0.390 -8.835 1.00 0.00 C ATOM 1107 CE LYS A 71 -11.068 0.309 -8.114 1.00 0.00 C ATOM 1108 NZ LYS A 71 -10.535 1.450 -7.317 1.00 0.00 N ATOM 0 H LYS A 71 -7.362 -1.587 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.063 -3.878 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.731 -2.302 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.376 -2.898 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.580 -1.256 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.164 -0.486 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.328 0.338 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.305 -1.108 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.800 0.667 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.584 -0.395 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.323 1.957 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.891 1.090 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.018 2.100 -7.943 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.915 -4.162 -7.487 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.867 -5.122 -7.925 1.00 0.00 C ATOM 1124 C LYS A 72 -4.841 -6.272 -6.926 1.00 0.00 C ATOM 1125 O LYS A 72 -4.400 -7.365 -7.223 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.506 -4.422 -7.948 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.717 -4.875 -9.178 1.00 0.00 C ATOM 1128 CD LYS A 72 -3.463 -4.465 -10.449 1.00 0.00 C ATOM 1129 CE LYS A 72 -2.752 -3.276 -11.097 1.00 0.00 C ATOM 1130 NZ LYS A 72 -3.697 -2.129 -11.204 1.00 0.00 N ATOM 0 H LYS A 72 -5.567 -3.337 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.083 -5.495 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.642 -3.341 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.950 -4.656 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.723 -4.429 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.582 -5.956 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.503 -5.302 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.493 -4.200 -10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.883 -2.991 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.386 -3.553 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.171 -1.236 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.174 -2.157 -12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.407 -2.192 -10.446 1.00 0.00 H new ATOM 1144 N ILE A 73 -5.327 -6.024 -5.740 1.00 0.00 N ATOM 1145 CA ILE A 73 -5.367 -7.078 -4.698 1.00 0.00 C ATOM 1146 C ILE A 73 -6.624 -7.939 -4.898 1.00 0.00 C ATOM 1147 O ILE A 73 -7.338 -8.265 -3.971 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.405 -6.409 -3.327 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.049 -5.760 -3.040 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.709 -7.455 -2.257 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.250 -4.526 -2.159 1.00 0.00 C ATOM 0 H ILE A 73 -5.702 -5.121 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.485 -7.715 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.182 -5.645 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.391 -6.472 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.564 -5.478 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.736 -6.977 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.675 -7.916 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.933 -8.220 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.284 -4.064 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.892 -3.812 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.717 -4.822 -1.219 1.00 0.00 H new