USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 616 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 54 MET CE :methyl -143:sc= -2.18 (180deg=-3.7) USER MOD Set 1.2: A 74 CYS SG : rot 99:sc= 0.521 USER MOD Set 1.3: A 77 MET CE :methyl 158:sc= -0.406 (180deg=-1.91!) USER MOD Set 2.1: A 38 HIS : no HE2:sc= -0.224 K(o=-0.16,f=-2.1) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.0672 K(o=-0.16,f=-1.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -41:sc= 0.443 USER MOD Single : A 11 THR OG1 : rot -49:sc= 0.109 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0847 USER MOD Single : A 17 SER OG : rot -88:sc= 0.0347 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 1.46 K(o=1.5,f=-7.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 166:sc= 1.34 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.0026) USER MOD Single : A 34 CYS SG : rot 160:sc= -0.346 USER MOD Single : A 36 GLN :FLIP amide:sc=-0.000825 F(o=-1.7,f=-0.00082) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00336 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0.965 (180deg=0.759) USER MOD Single : A 56 SER OG : rot -83:sc= 0.205 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -121:sc= -0.865 (180deg=-1.74) USER MOD Single : A 65 GLN : amide:sc= -0.914 X(o=-0.91,f=-1.4) USER MOD Single : A 71 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 80 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -1.448 -9.575 5.004 1.00 0.00 N ATOM 99 CA VAL A 8 -2.610 -8.731 5.090 1.00 0.00 C ATOM 100 C VAL A 8 -2.946 -8.675 6.578 1.00 0.00 C ATOM 101 O VAL A 8 -3.694 -9.520 7.059 1.00 0.00 O ATOM 102 CB VAL A 8 -3.708 -9.350 4.187 1.00 0.00 C ATOM 103 CG1 VAL A 8 -5.037 -8.579 4.196 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.248 -9.467 2.718 1.00 0.00 C ATOM 0 HA VAL A 8 -2.480 -7.710 4.732 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.877 -10.336 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.751 -9.077 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.435 -8.551 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.869 -7.561 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.047 -9.905 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.008 -8.476 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.364 -10.102 2.663 1.00 0.00 H new ATOM 114 N LYS A 9 -2.366 -7.723 7.323 1.00 0.00 N ATOM 115 CA LYS A 9 -2.698 -7.485 8.741 1.00 0.00 C ATOM 116 C LYS A 9 -3.367 -6.150 9.001 1.00 0.00 C ATOM 117 O LYS A 9 -3.484 -5.722 10.146 1.00 0.00 O ATOM 118 CB LYS A 9 -1.500 -7.647 9.685 1.00 0.00 C ATOM 119 CG LYS A 9 -0.423 -8.605 9.197 1.00 0.00 C ATOM 120 CD LYS A 9 0.616 -7.886 8.334 1.00 0.00 C ATOM 121 CE LYS A 9 1.984 -7.668 8.979 1.00 0.00 C ATOM 122 NZ LYS A 9 1.959 -6.862 10.216 1.00 0.00 N ATOM 0 H LYS A 9 -1.651 -7.093 6.961 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.420 -8.270 8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.049 -6.668 9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.863 -7.994 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.070 -9.067 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.883 -9.409 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.756 -8.457 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.212 -6.915 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.424 -8.640 9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.638 -7.180 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.926 -6.764 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.570 -5.920 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.363 -7.334 10.926 1.00 0.00 H new ATOM 136 N CYS A 10 -3.752 -5.485 7.923 1.00 0.00 N ATOM 137 CA CYS A 10 -4.256 -4.119 7.817 1.00 0.00 C ATOM 138 C CYS A 10 -3.191 -3.072 8.145 1.00 0.00 C ATOM 139 O CYS A 10 -2.939 -2.225 7.290 1.00 0.00 O ATOM 140 CB CYS A 10 -5.624 -3.954 8.487 1.00 0.00 C ATOM 141 SG CYS A 10 -5.622 -3.622 10.271 1.00 0.00 S ATOM 0 H CYS A 10 -3.717 -5.931 7.007 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.471 -3.912 6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.151 -3.139 7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.201 -4.862 8.310 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.722 -4.361 10.849 1.00 0.00 H new ATOM 147 N THR A 11 -2.486 -3.207 9.270 1.00 0.00 N ATOM 148 CA THR A 11 -1.336 -2.418 9.648 1.00 0.00 C ATOM 149 C THR A 11 -1.773 -1.025 10.108 1.00 0.00 C ATOM 150 O THR A 11 -2.858 -0.815 10.668 1.00 0.00 O ATOM 151 CB THR A 11 -0.117 -2.539 8.679 1.00 0.00 C ATOM 152 OG1 THR A 11 -0.052 -1.525 7.705 1.00 0.00 O ATOM 153 CG2 THR A 11 -0.103 -3.880 7.957 1.00 0.00 C ATOM 0 H THR A 11 -2.723 -3.909 9.971 1.00 0.00 H new ATOM 0 HA THR A 11 -0.877 -2.855 10.535 1.00 0.00 H new ATOM 0 HB THR A 11 0.750 -2.440 9.332 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.927 -1.429 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.760 -3.926 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.041 -4.686 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.017 -3.989 7.373 1.00 0.00 H new ATOM 161 N SER A 12 -0.774 -0.166 10.098 1.00 0.00 N ATOM 162 CA SER A 12 -0.732 1.245 10.386 1.00 0.00 C ATOM 163 C SER A 12 -1.915 1.934 9.705 1.00 0.00 C ATOM 164 O SER A 12 -2.133 1.771 8.503 1.00 0.00 O ATOM 165 CB SER A 12 0.599 1.734 9.818 1.00 0.00 C ATOM 166 OG SER A 12 1.695 0.939 10.264 1.00 0.00 O ATOM 0 H SER A 12 0.159 -0.496 9.851 1.00 0.00 H new ATOM 0 HA SER A 12 -0.804 1.464 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.557 1.715 8.729 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.760 2.771 10.113 1.00 0.00 H new ATOM 0 HG SER A 12 2.527 1.283 9.877 1.00 0.00 H new ATOM 172 N VAL A 13 -2.694 2.702 10.466 1.00 0.00 N ATOM 173 CA VAL A 13 -3.901 3.320 9.947 1.00 0.00 C ATOM 174 C VAL A 13 -3.605 4.239 8.766 1.00 0.00 C ATOM 175 O VAL A 13 -4.494 4.432 7.954 1.00 0.00 O ATOM 176 CB VAL A 13 -4.704 4.041 11.039 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.364 3.028 11.979 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.897 5.076 11.831 1.00 0.00 C ATOM 0 H VAL A 13 -2.505 2.908 11.447 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.530 2.510 9.578 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.474 4.609 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.929 3.558 12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.038 2.388 11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.596 2.416 12.452 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.537 5.539 12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.058 4.584 12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.521 5.842 11.152 1.00 0.00 H new ATOM 188 N VAL A 14 -2.376 4.742 8.614 1.00 0.00 N ATOM 189 CA VAL A 14 -1.950 5.632 7.537 1.00 0.00 C ATOM 190 C VAL A 14 -2.342 5.101 6.151 1.00 0.00 C ATOM 191 O VAL A 14 -2.592 5.895 5.253 1.00 0.00 O ATOM 192 CB VAL A 14 -0.413 5.848 7.595 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.018 7.054 6.740 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.177 6.070 8.997 1.00 0.00 C ATOM 0 H VAL A 14 -1.622 4.529 9.267 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.465 6.581 7.686 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.023 4.905 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.099 7.177 6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.268 6.885 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.472 7.955 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.255 6.210 8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.273 6.956 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.033 5.202 9.622 1.00 0.00 H new ATOM 204 N LEU A 15 -2.387 3.781 5.946 1.00 0.00 N ATOM 205 CA LEU A 15 -2.781 3.202 4.661 1.00 0.00 C ATOM 206 C LEU A 15 -4.290 3.095 4.617 1.00 0.00 C ATOM 207 O LEU A 15 -4.953 3.443 3.646 1.00 0.00 O ATOM 208 CB LEU A 15 -2.229 1.783 4.423 1.00 0.00 C ATOM 209 CG LEU A 15 -1.076 1.263 5.271 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.738 -0.141 4.781 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.186 2.125 5.248 1.00 0.00 C ATOM 0 H LEU A 15 -2.153 3.091 6.660 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.373 3.860 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.060 1.088 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.916 1.728 3.381 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.413 1.281 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.087 -0.543 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.611 -0.785 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.448 -0.100 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.948 1.671 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.559 2.197 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.048 3.123 5.620 1.00 0.00 H new ATOM 223 N LEU A 16 -4.813 2.492 5.676 1.00 0.00 N ATOM 224 CA LEU A 16 -6.165 2.005 5.781 1.00 0.00 C ATOM 225 C LEU A 16 -7.118 3.175 5.663 1.00 0.00 C ATOM 226 O LEU A 16 -8.135 3.082 4.984 1.00 0.00 O ATOM 227 CB LEU A 16 -6.278 1.330 7.146 1.00 0.00 C ATOM 228 CG LEU A 16 -5.742 -0.112 7.108 1.00 0.00 C ATOM 229 CD1 LEU A 16 -5.054 -0.400 8.435 1.00 0.00 C ATOM 230 CD2 LEU A 16 -6.895 -1.024 6.704 1.00 0.00 C ATOM 0 H LEU A 16 -4.271 2.325 6.524 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.414 1.295 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.722 1.907 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.320 1.324 7.465 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.969 -0.289 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.666 -1.419 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.232 0.301 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.771 -0.289 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.547 -2.056 6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.700 -0.938 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.264 -0.731 5.721 1.00 0.00 H new ATOM 242 N SER A 17 -6.775 4.278 6.311 1.00 0.00 N ATOM 243 CA SER A 17 -7.502 5.527 6.330 1.00 0.00 C ATOM 244 C SER A 17 -7.836 5.987 4.906 1.00 0.00 C ATOM 245 O SER A 17 -8.966 6.419 4.678 1.00 0.00 O ATOM 246 CB SER A 17 -6.654 6.554 7.107 1.00 0.00 C ATOM 247 OG SER A 17 -5.488 6.906 6.394 1.00 0.00 O ATOM 0 H SER A 17 -5.925 4.321 6.873 1.00 0.00 H new ATOM 0 HA SER A 17 -8.462 5.410 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.248 7.447 7.299 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.378 6.140 8.077 1.00 0.00 H new ATOM 0 HG SER A 17 -4.768 6.279 6.615 1.00 0.00 H new ATOM 253 N VAL A 18 -6.923 5.823 3.943 1.00 0.00 N ATOM 254 CA VAL A 18 -7.091 6.185 2.539 1.00 0.00 C ATOM 255 C VAL A 18 -8.179 5.344 1.875 1.00 0.00 C ATOM 256 O VAL A 18 -8.895 5.835 1.010 1.00 0.00 O ATOM 257 CB VAL A 18 -5.765 5.991 1.775 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.835 6.644 0.390 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.556 6.562 2.522 1.00 0.00 C ATOM 0 H VAL A 18 -6.007 5.416 4.133 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.388 7.233 2.503 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.630 4.913 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.889 6.495 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.642 6.190 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.024 7.712 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.653 6.395 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.696 7.632 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.457 6.066 3.488 1.00 0.00 H new ATOM 269 N LEU A 19 -8.334 4.076 2.248 1.00 0.00 N ATOM 270 CA LEU A 19 -9.385 3.241 1.685 1.00 0.00 C ATOM 271 C LEU A 19 -10.707 3.529 2.400 1.00 0.00 C ATOM 272 O LEU A 19 -11.748 3.699 1.755 1.00 0.00 O ATOM 273 CB LEU A 19 -8.973 1.762 1.774 1.00 0.00 C ATOM 274 CG LEU A 19 -7.823 1.313 0.835 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.659 2.106 -0.476 1.00 0.00 C ATOM 276 CD2 LEU A 19 -6.456 1.292 1.518 1.00 0.00 C ATOM 0 H LEU A 19 -7.745 3.607 2.936 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.531 3.472 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.679 1.550 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.849 1.149 1.560 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.153 0.306 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.824 1.698 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.573 2.028 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.464 3.153 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.698 0.969 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.214 2.292 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.480 0.600 2.360 1.00 0.00 H new ATOM 288 N GLN A 20 -10.647 3.618 3.728 1.00 0.00 N ATOM 289 CA GLN A 20 -11.783 3.856 4.602 1.00 0.00 C ATOM 290 C GLN A 20 -12.403 5.231 4.379 1.00 0.00 C ATOM 291 O GLN A 20 -13.605 5.364 4.588 1.00 0.00 O ATOM 292 CB GLN A 20 -11.332 3.749 6.068 1.00 0.00 C ATOM 293 CG GLN A 20 -10.912 2.338 6.489 1.00 0.00 C ATOM 294 CD GLN A 20 -10.646 2.251 7.986 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.469 1.733 8.736 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.531 2.779 8.460 1.00 0.00 N ATOM 0 H GLN A 20 -9.770 3.522 4.239 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.536 3.103 4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.496 4.430 6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.145 4.083 6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.694 1.629 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.015 2.047 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.858 3.205 7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.344 2.760 9.462 1.00 0.00 H new ATOM 305 N GLN A 21 -11.636 6.248 3.960 1.00 0.00 N ATOM 306 CA GLN A 21 -12.170 7.600 3.784 1.00 0.00 C ATOM 307 C GLN A 21 -13.166 7.665 2.623 1.00 0.00 C ATOM 308 O GLN A 21 -13.834 8.684 2.449 1.00 0.00 O ATOM 309 CB GLN A 21 -11.059 8.675 3.700 1.00 0.00 C ATOM 310 CG GLN A 21 -10.247 8.703 2.393 1.00 0.00 C ATOM 311 CD GLN A 21 -9.041 9.648 2.354 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.277 9.676 1.387 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.820 10.451 3.374 1.00 0.00 N ATOM 0 H GLN A 21 -10.645 6.157 3.738 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.732 7.843 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.517 9.654 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.369 8.522 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.894 7.692 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.920 8.976 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.446 10.436 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.023 11.088 3.359 1.00 0.00 H new ATOM 322 N LEU A 22 -13.277 6.593 1.828 1.00 0.00 N ATOM 323 CA LEU A 22 -14.179 6.536 0.701 1.00 0.00 C ATOM 324 C LEU A 22 -15.312 5.584 1.043 1.00 0.00 C ATOM 325 O LEU A 22 -16.326 6.039 1.562 1.00 0.00 O ATOM 326 CB LEU A 22 -13.427 6.176 -0.593 1.00 0.00 C ATOM 327 CG LEU A 22 -12.471 7.254 -1.131 1.00 0.00 C ATOM 328 CD1 LEU A 22 -13.008 8.676 -1.123 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.107 7.181 -0.464 1.00 0.00 C ATOM 0 H LEU A 22 -12.733 5.741 1.961 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.616 7.515 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.856 5.265 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.161 5.948 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.368 7.006 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.253 9.352 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.905 8.729 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.252 8.967 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.461 7.959 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.219 7.328 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.662 6.204 -0.652 1.00 0.00 H new ATOM 341 N ARG A 23 -15.141 4.279 0.798 1.00 0.00 N ATOM 342 CA ARG A 23 -16.190 3.256 0.892 1.00 0.00 C ATOM 343 C ARG A 23 -15.675 1.870 0.505 1.00 0.00 C ATOM 344 O ARG A 23 -16.462 1.058 0.011 1.00 0.00 O ATOM 345 CB ARG A 23 -17.472 3.608 0.081 1.00 0.00 C ATOM 346 CG ARG A 23 -17.408 3.661 -1.455 1.00 0.00 C ATOM 347 CD ARG A 23 -16.425 4.712 -1.955 1.00 0.00 C ATOM 348 NE ARG A 23 -16.589 5.013 -3.383 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.005 5.983 -4.096 1.00 0.00 C ATOM 350 NH1 ARG A 23 -15.359 6.984 -3.505 1.00 0.00 N ATOM 351 NH2 ARG A 23 -16.063 5.930 -5.417 1.00 0.00 N ATOM 0 H ARG A 23 -14.239 3.893 0.520 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.476 3.236 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.238 2.881 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.820 4.581 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.118 2.683 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.400 3.877 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.555 5.628 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.407 4.365 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.229 4.406 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.301 7.023 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.921 7.712 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.547 5.158 -5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.623 6.661 -5.977 1.00 0.00 H new ATOM 365 N VAL A 24 -14.370 1.606 0.626 1.00 0.00 N ATOM 366 CA VAL A 24 -13.783 0.415 0.020 1.00 0.00 C ATOM 367 C VAL A 24 -14.468 -0.847 0.509 1.00 0.00 C ATOM 368 O VAL A 24 -14.698 -1.031 1.708 1.00 0.00 O ATOM 369 CB VAL A 24 -12.263 0.362 0.237 1.00 0.00 C ATOM 370 CG1 VAL A 24 -11.611 -0.996 -0.077 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.658 1.369 -0.728 1.00 0.00 C ATOM 0 H VAL A 24 -13.710 2.196 1.133 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.949 0.477 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.082 0.562 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.538 -0.936 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.045 -1.765 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.787 -1.251 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.574 1.374 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.917 1.094 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.049 2.363 -0.510 1.00 0.00 H new ATOM 381 N GLU A 25 -14.735 -1.720 -0.456 1.00 0.00 N ATOM 382 CA GLU A 25 -15.105 -3.105 -0.280 1.00 0.00 C ATOM 383 C GLU A 25 -13.963 -3.813 0.445 1.00 0.00 C ATOM 384 O GLU A 25 -13.026 -4.335 -0.163 1.00 0.00 O ATOM 385 CB GLU A 25 -15.385 -3.758 -1.637 1.00 0.00 C ATOM 386 CG GLU A 25 -16.173 -2.875 -2.602 1.00 0.00 C ATOM 387 CD GLU A 25 -16.746 -3.699 -3.756 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.969 -4.517 -4.311 1.00 0.00 O ATOM 389 OE2 GLU A 25 -17.934 -3.508 -4.121 1.00 0.00 O ATOM 0 H GLU A 25 -14.694 -1.455 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.017 -3.182 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.436 -4.029 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.937 -4.684 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.983 -2.379 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.525 -2.092 -2.996 1.00 0.00 H new ATOM 396 N SER A 26 -14.016 -3.803 1.769 1.00 0.00 N ATOM 397 CA SER A 26 -13.066 -4.495 2.621 1.00 0.00 C ATOM 398 C SER A 26 -13.147 -6.019 2.418 1.00 0.00 C ATOM 399 O SER A 26 -12.213 -6.745 2.751 1.00 0.00 O ATOM 400 CB SER A 26 -13.336 -4.025 4.052 1.00 0.00 C ATOM 401 OG SER A 26 -14.730 -4.079 4.332 1.00 0.00 O ATOM 0 H SER A 26 -14.736 -3.303 2.290 1.00 0.00 H new ATOM 0 HA SER A 26 -12.033 -4.254 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.791 -4.652 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.970 -3.007 4.183 1.00 0.00 H new ATOM 0 HG SER A 26 -14.891 -3.778 5.251 1.00 0.00 H new ATOM 407 N SER A 27 -14.239 -6.501 1.815 1.00 0.00 N ATOM 408 CA SER A 27 -14.468 -7.882 1.421 1.00 0.00 C ATOM 409 C SER A 27 -13.984 -8.197 -0.008 1.00 0.00 C ATOM 410 O SER A 27 -14.201 -9.319 -0.467 1.00 0.00 O ATOM 411 CB SER A 27 -15.964 -8.189 1.608 1.00 0.00 C ATOM 412 OG SER A 27 -16.137 -9.143 2.638 1.00 0.00 O ATOM 0 H SER A 27 -15.027 -5.898 1.579 1.00 0.00 H new ATOM 0 HA SER A 27 -13.870 -8.533 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.503 -7.274 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.385 -8.567 0.676 1.00 0.00 H new ATOM 0 HG SER A 27 -17.092 -9.332 2.752 1.00 0.00 H new ATOM 418 N SER A 28 -13.337 -7.268 -0.716 1.00 0.00 N ATOM 419 CA SER A 28 -12.786 -7.509 -2.050 1.00 0.00 C ATOM 420 C SER A 28 -11.268 -7.368 -1.996 1.00 0.00 C ATOM 421 O SER A 28 -10.740 -6.658 -1.131 1.00 0.00 O ATOM 422 CB SER A 28 -13.400 -6.505 -3.036 1.00 0.00 C ATOM 423 OG SER A 28 -14.816 -6.624 -3.062 1.00 0.00 O ATOM 0 H SER A 28 -13.180 -6.319 -0.376 1.00 0.00 H new ATOM 0 HA SER A 28 -13.028 -8.517 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.121 -5.491 -2.750 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.998 -6.677 -4.034 1.00 0.00 H new ATOM 0 HG SER A 28 -15.201 -5.847 -3.518 1.00 0.00 H new ATOM 429 N LYS A 29 -10.550 -7.963 -2.966 1.00 0.00 N ATOM 430 CA LYS A 29 -9.086 -7.884 -3.000 1.00 0.00 C ATOM 431 C LYS A 29 -8.570 -6.465 -2.938 1.00 0.00 C ATOM 432 O LYS A 29 -7.453 -6.259 -2.499 1.00 0.00 O ATOM 433 CB LYS A 29 -8.435 -8.635 -4.177 1.00 0.00 C ATOM 434 CG LYS A 29 -8.254 -7.858 -5.492 1.00 0.00 C ATOM 435 CD LYS A 29 -9.555 -7.600 -6.258 1.00 0.00 C ATOM 436 CE LYS A 29 -9.370 -6.244 -6.930 1.00 0.00 C ATOM 437 NZ LYS A 29 -10.447 -5.926 -7.880 1.00 0.00 N ATOM 0 H LYS A 29 -10.961 -8.500 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.781 -8.401 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.455 -8.985 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.036 -9.520 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.780 -6.901 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.571 -8.412 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.738 -8.382 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.412 -7.590 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.325 -5.468 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.414 -6.231 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.270 -4.994 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.476 -6.649 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.358 -5.910 -7.379 1.00 0.00 H new ATOM 451 N LEU A 30 -9.346 -5.499 -3.419 1.00 0.00 N ATOM 452 CA LEU A 30 -8.943 -4.104 -3.501 1.00 0.00 C ATOM 453 C LEU A 30 -8.406 -3.595 -2.158 1.00 0.00 C ATOM 454 O LEU A 30 -7.358 -2.951 -2.117 1.00 0.00 O ATOM 455 CB LEU A 30 -10.114 -3.259 -4.037 1.00 0.00 C ATOM 456 CG LEU A 30 -9.728 -1.856 -4.519 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.352 -0.895 -3.387 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.586 -1.900 -5.532 1.00 0.00 C ATOM 0 H LEU A 30 -10.289 -5.669 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.116 -4.009 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.582 -3.795 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.864 -3.164 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.630 -1.471 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.091 0.077 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.198 -0.782 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.499 -1.295 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.342 -0.886 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.710 -2.357 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.890 -2.488 -6.398 1.00 0.00 H new ATOM 470 N TRP A 31 -9.072 -3.908 -1.050 1.00 0.00 N ATOM 471 CA TRP A 31 -8.578 -3.539 0.271 1.00 0.00 C ATOM 472 C TRP A 31 -7.184 -4.123 0.524 1.00 0.00 C ATOM 473 O TRP A 31 -6.252 -3.404 0.910 1.00 0.00 O ATOM 474 CB TRP A 31 -9.603 -4.014 1.298 1.00 0.00 C ATOM 475 CG TRP A 31 -9.207 -3.847 2.727 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.008 -2.669 3.359 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.897 -4.885 3.704 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.623 -2.907 4.660 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.535 -4.254 4.928 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.876 -6.295 3.678 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.185 -4.980 6.072 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.512 -7.037 4.817 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.169 -6.383 6.013 1.00 0.00 C ATOM 0 H TRP A 31 -9.956 -4.417 -1.042 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.463 -2.458 0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.535 -3.473 1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.810 -5.069 1.118 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.132 -1.693 2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.427 -2.174 5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.144 -6.814 2.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.931 -4.468 6.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.496 -8.116 4.772 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.894 -6.958 6.885 1.00 0.00 H new ATOM 494 N ALA A 32 -7.040 -5.421 0.262 1.00 0.00 N ATOM 495 CA ALA A 32 -5.811 -6.149 0.496 1.00 0.00 C ATOM 496 C ALA A 32 -4.686 -5.721 -0.453 1.00 0.00 C ATOM 497 O ALA A 32 -3.529 -5.684 -0.039 1.00 0.00 O ATOM 498 CB ALA A 32 -6.073 -7.638 0.364 1.00 0.00 C ATOM 0 H ALA A 32 -7.788 -5.997 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.476 -5.917 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.148 -8.187 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.821 -7.942 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.439 -7.856 -0.640 1.00 0.00 H new ATOM 504 N GLN A 33 -5.023 -5.362 -1.697 1.00 0.00 N ATOM 505 CA GLN A 33 -4.122 -4.940 -2.766 1.00 0.00 C ATOM 506 C GLN A 33 -3.207 -3.810 -2.307 1.00 0.00 C ATOM 507 O GLN A 33 -2.104 -3.662 -2.831 1.00 0.00 O ATOM 508 CB GLN A 33 -4.929 -4.445 -3.979 1.00 0.00 C ATOM 509 CG GLN A 33 -5.429 -5.530 -4.931 1.00 0.00 C ATOM 510 CD GLN A 33 -4.518 -5.841 -6.110 1.00 0.00 C ATOM 511 OE1 GLN A 33 -4.275 -7.003 -6.440 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.097 -4.835 -6.848 1.00 0.00 N ATOM 0 H GLN A 33 -5.997 -5.360 -2.000 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.517 -5.805 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.789 -3.883 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.309 -3.749 -4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.581 -6.446 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.403 -5.229 -5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.302 -3.876 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.566 -5.015 -7.700 1.00 0.00 H new ATOM 521 N CYS A 34 -3.674 -3.019 -1.344 1.00 0.00 N ATOM 522 CA CYS A 34 -2.948 -1.883 -0.838 1.00 0.00 C ATOM 523 C CYS A 34 -2.020 -2.372 0.278 1.00 0.00 C ATOM 524 O CYS A 34 -0.813 -2.135 0.219 1.00 0.00 O ATOM 525 CB CYS A 34 -3.967 -0.814 -0.420 1.00 0.00 C ATOM 526 SG CYS A 34 -3.320 0.859 -0.695 1.00 0.00 S ATOM 0 H CYS A 34 -4.579 -3.160 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.305 -1.412 -1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.889 -0.947 -0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.218 -0.940 0.633 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.307 1.703 -0.745 1.00 0.00 H new ATOM 532 N VAL A 35 -2.554 -3.063 1.293 1.00 0.00 N ATOM 533 CA VAL A 35 -1.806 -3.383 2.513 1.00 0.00 C ATOM 534 C VAL A 35 -0.639 -4.308 2.224 1.00 0.00 C ATOM 535 O VAL A 35 0.495 -4.073 2.634 1.00 0.00 O ATOM 536 CB VAL A 35 -2.734 -3.992 3.569 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.373 -5.346 3.288 1.00 0.00 C ATOM 538 CG2 VAL A 35 -2.006 -4.092 4.906 1.00 0.00 C ATOM 0 H VAL A 35 -3.512 -3.414 1.291 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.397 -2.452 2.906 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.569 -3.291 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.999 -5.635 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.985 -5.280 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.593 -6.093 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.672 -4.526 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.125 -4.725 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.699 -3.097 5.229 1.00 0.00 H new ATOM 548 N GLN A 36 -0.930 -5.373 1.490 1.00 0.00 N ATOM 549 CA GLN A 36 0.038 -6.399 1.199 1.00 0.00 C ATOM 550 C GLN A 36 1.162 -5.807 0.351 1.00 0.00 C ATOM 551 O GLN A 36 2.290 -6.286 0.359 1.00 0.00 O ATOM 552 CB GLN A 36 -0.739 -7.533 0.529 1.00 0.00 C ATOM 553 CG GLN A 36 -1.190 -7.288 -0.919 1.00 0.00 C ATOM 554 CD GLN A 36 -0.268 -7.970 -1.914 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.775 -7.288 -2.340 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.477 -9.124 -2.281 1.00 0.00 N flip ATOM 0 H GLN A 36 -1.850 -5.542 1.082 1.00 0.00 H new ATOM 0 HA GLN A 36 0.534 -6.799 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.119 -8.429 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.623 -7.744 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.207 -7.658 -1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.212 -6.216 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.293 -9.629 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.165 -9.577 -2.931 1.00 0.00 H new ATOM 565 N LEU A 37 0.834 -4.757 -0.407 1.00 0.00 N ATOM 566 CA LEU A 37 1.757 -4.112 -1.316 1.00 0.00 C ATOM 567 C LEU A 37 2.543 -3.011 -0.602 1.00 0.00 C ATOM 568 O LEU A 37 3.571 -2.582 -1.117 1.00 0.00 O ATOM 569 CB LEU A 37 0.995 -3.621 -2.526 1.00 0.00 C ATOM 570 CG LEU A 37 1.898 -3.473 -3.764 1.00 0.00 C ATOM 571 CD1 LEU A 37 2.664 -4.764 -4.129 1.00 0.00 C ATOM 572 CD2 LEU A 37 1.013 -3.179 -4.959 1.00 0.00 C ATOM 0 H LEU A 37 -0.094 -4.333 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 37 2.504 -4.824 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.186 -4.316 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.535 -2.660 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 37 2.616 -2.687 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.279 -4.585 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.301 -5.057 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.952 -5.562 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.630 -3.070 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.311 -4.000 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.461 -2.256 -4.784 1.00 0.00 H new ATOM 584 N HIS A 38 2.085 -2.555 0.573 1.00 0.00 N ATOM 585 CA HIS A 38 2.814 -1.665 1.465 1.00 0.00 C ATOM 586 C HIS A 38 4.001 -2.395 2.073 1.00 0.00 C ATOM 587 O HIS A 38 5.122 -1.900 1.999 1.00 0.00 O ATOM 588 CB HIS A 38 1.883 -1.090 2.548 1.00 0.00 C ATOM 589 CG HIS A 38 2.538 -0.665 3.844 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.813 -1.479 4.930 1.00 0.00 N ATOM 591 CD2 HIS A 38 2.868 0.617 4.193 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.310 -0.695 5.903 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.356 0.588 5.503 1.00 0.00 N ATOM 0 H HIS A 38 1.165 -2.809 0.933 1.00 0.00 H new ATOM 0 HA HIS A 38 3.195 -0.822 0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.364 -0.228 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.124 -1.838 2.778 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.666 -2.487 4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.769 1.493 3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.629 -1.048 6.873 1.00 0.00 H new ATOM 601 N ASN A 39 3.776 -3.563 2.684 1.00 0.00 N ATOM 602 CA ASN A 39 4.886 -4.231 3.371 1.00 0.00 C ATOM 603 C ASN A 39 5.951 -4.611 2.345 1.00 0.00 C ATOM 604 O ASN A 39 7.147 -4.476 2.599 1.00 0.00 O ATOM 605 CB ASN A 39 4.501 -5.472 4.171 1.00 0.00 C ATOM 606 CG ASN A 39 3.101 -5.414 4.735 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.776 -4.563 5.564 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.226 -6.255 4.228 1.00 0.00 N ATOM 0 H ASN A 39 2.879 -4.047 2.718 1.00 0.00 H new ATOM 0 HA ASN A 39 5.256 -3.512 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.590 -6.350 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.209 -5.601 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.250 -6.213 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.524 -6.949 3.543 1.00 0.00 H new ATOM 615 N ASP A 40 5.510 -5.034 1.154 1.00 0.00 N ATOM 616 CA ASP A 40 6.363 -5.491 0.063 1.00 0.00 C ATOM 617 C ASP A 40 7.237 -4.353 -0.500 1.00 0.00 C ATOM 618 O ASP A 40 8.067 -4.625 -1.366 1.00 0.00 O ATOM 619 CB ASP A 40 5.513 -6.173 -1.038 1.00 0.00 C ATOM 620 CG ASP A 40 4.973 -7.575 -0.678 1.00 0.00 C ATOM 621 OD1 ASP A 40 5.255 -8.097 0.426 1.00 0.00 O ATOM 622 OD2 ASP A 40 4.285 -8.213 -1.511 1.00 0.00 O ATOM 0 H ASP A 40 4.517 -5.067 0.921 1.00 0.00 H new ATOM 0 HA ASP A 40 7.052 -6.235 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.669 -5.526 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.116 -6.255 -1.942 1.00 0.00 H new ATOM 627 N ILE A 41 7.094 -3.103 -0.030 1.00 0.00 N ATOM 628 CA ILE A 41 8.017 -1.989 -0.270 1.00 0.00 C ATOM 629 C ILE A 41 9.271 -2.186 0.575 1.00 0.00 C ATOM 630 O ILE A 41 10.379 -2.226 0.048 1.00 0.00 O ATOM 631 CB ILE A 41 7.349 -0.627 0.072 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.025 -0.405 -0.685 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.256 0.596 -0.157 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.079 -0.724 -2.172 1.00 0.00 C ATOM 0 H ILE A 41 6.300 -2.833 0.550 1.00 0.00 H new ATOM 0 HA ILE A 41 8.284 -1.974 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 41 7.151 -0.705 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.252 -1.019 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.722 0.635 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.714 1.505 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.146 0.511 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.551 0.639 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.103 -0.538 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.825 -0.092 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.348 -1.771 -2.310 1.00 0.00 H new ATOM 646 N LEU A 42 9.130 -2.272 1.895 1.00 0.00 N ATOM 647 CA LEU A 42 10.285 -2.358 2.782 1.00 0.00 C ATOM 648 C LEU A 42 10.944 -3.727 2.631 1.00 0.00 C ATOM 649 O LEU A 42 12.171 -3.812 2.573 1.00 0.00 O ATOM 650 CB LEU A 42 9.848 -2.165 4.240 1.00 0.00 C ATOM 651 CG LEU A 42 9.195 -0.806 4.533 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.769 -0.752 6.000 1.00 0.00 C ATOM 653 CD2 LEU A 42 10.136 0.358 4.237 1.00 0.00 C ATOM 0 H LEU A 42 8.229 -2.284 2.373 1.00 0.00 H new ATOM 0 HA LEU A 42 10.994 -1.575 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.146 -2.956 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.718 -2.283 4.886 1.00 0.00 H new ATOM 0 HG LEU A 42 8.328 -0.708 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.305 0.212 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.054 -1.550 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.644 -0.880 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.632 1.299 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.029 0.270 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.420 0.338 3.185 1.00 0.00 H new ATOM 665 N LEU A 43 10.129 -4.776 2.480 1.00 0.00 N ATOM 666 CA LEU A 43 10.540 -6.170 2.340 1.00 0.00 C ATOM 667 C LEU A 43 10.994 -6.464 0.904 1.00 0.00 C ATOM 668 O LEU A 43 11.109 -7.630 0.526 1.00 0.00 O ATOM 669 CB LEU A 43 9.365 -7.092 2.741 1.00 0.00 C ATOM 670 CG LEU A 43 9.170 -7.301 4.255 1.00 0.00 C ATOM 671 CD1 LEU A 43 8.934 -6.028 5.070 1.00 0.00 C ATOM 672 CD2 LEU A 43 7.946 -8.190 4.471 1.00 0.00 C ATOM 0 H LEU A 43 9.115 -4.667 2.451 1.00 0.00 H new ATOM 0 HA LEU A 43 11.387 -6.360 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.445 -6.679 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.515 -8.066 2.274 1.00 0.00 H new ATOM 0 HG LEU A 43 10.106 -7.737 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.809 -6.287 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.789 -5.361 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.035 -5.527 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.795 -8.347 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.066 -7.707 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.103 -9.151 3.981 1.00 0.00 H new ATOM 684 N ALA A 44 11.162 -5.436 0.072 1.00 0.00 N ATOM 685 CA ALA A 44 11.530 -5.582 -1.322 1.00 0.00 C ATOM 686 C ALA A 44 12.963 -6.088 -1.508 1.00 0.00 C ATOM 687 O ALA A 44 13.790 -6.079 -0.598 1.00 0.00 O ATOM 688 CB ALA A 44 11.403 -4.230 -2.009 1.00 0.00 C ATOM 0 H ALA A 44 11.042 -4.465 0.360 1.00 0.00 H new ATOM 0 HA ALA A 44 10.858 -6.321 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.678 -4.328 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.374 -3.879 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.067 -3.513 -1.526 1.00 0.00 H new ATOM 694 N LYS A 45 13.258 -6.429 -2.758 1.00 0.00 N ATOM 695 CA LYS A 45 14.567 -6.751 -3.298 1.00 0.00 C ATOM 696 C LYS A 45 15.533 -5.576 -3.208 1.00 0.00 C ATOM 697 O LYS A 45 16.628 -5.706 -2.653 1.00 0.00 O ATOM 698 CB LYS A 45 14.357 -7.144 -4.767 1.00 0.00 C ATOM 699 CG LYS A 45 13.845 -8.587 -4.914 1.00 0.00 C ATOM 700 CD LYS A 45 14.939 -9.634 -4.714 1.00 0.00 C ATOM 701 CE LYS A 45 15.971 -9.412 -5.821 1.00 0.00 C ATOM 702 NZ LYS A 45 16.910 -10.538 -5.991 1.00 0.00 N ATOM 0 H LYS A 45 12.531 -6.491 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 45 15.011 -7.561 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.645 -6.459 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.297 -7.037 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.049 -8.759 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.408 -8.712 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.398 -9.530 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.525 -10.641 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.449 -9.240 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.538 -8.508 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.579 -10.319 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.434 -10.690 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.379 -11.399 -6.231 1.00 0.00 H new ATOM 716 N ASP A 46 15.159 -4.449 -3.804 1.00 0.00 N ATOM 717 CA ASP A 46 15.990 -3.262 -3.948 1.00 0.00 C ATOM 718 C ASP A 46 15.060 -2.071 -3.897 1.00 0.00 C ATOM 719 O ASP A 46 13.855 -2.217 -4.084 1.00 0.00 O ATOM 720 CB ASP A 46 16.731 -3.228 -5.293 1.00 0.00 C ATOM 721 CG ASP A 46 17.740 -4.366 -5.453 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.905 -4.166 -5.024 1.00 0.00 O ATOM 723 OD2 ASP A 46 17.399 -5.422 -6.017 1.00 0.00 O ATOM 0 H ASP A 46 14.233 -4.334 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 46 16.739 -3.256 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.003 -3.280 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.250 -2.274 -5.391 1.00 0.00 H new ATOM 728 N THR A 47 15.617 -0.879 -3.742 1.00 0.00 N ATOM 729 CA THR A 47 14.907 0.382 -3.814 1.00 0.00 C ATOM 730 C THR A 47 14.050 0.504 -5.072 1.00 0.00 C ATOM 731 O THR A 47 12.881 0.879 -4.969 1.00 0.00 O ATOM 732 CB THR A 47 15.975 1.469 -3.760 1.00 0.00 C ATOM 733 OG1 THR A 47 16.437 1.581 -2.425 1.00 0.00 O ATOM 734 CG2 THR A 47 15.495 2.817 -4.284 1.00 0.00 C ATOM 0 H THR A 47 16.613 -0.763 -3.556 1.00 0.00 H new ATOM 0 HA THR A 47 14.202 0.469 -2.987 1.00 0.00 H new ATOM 0 HB THR A 47 16.788 1.173 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.126 2.276 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.305 3.543 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.186 2.714 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.650 3.160 -3.687 1.00 0.00 H new ATOM 742 N THR A 48 14.635 0.272 -6.248 1.00 0.00 N ATOM 743 CA THR A 48 13.947 0.528 -7.501 1.00 0.00 C ATOM 744 C THR A 48 12.715 -0.381 -7.607 1.00 0.00 C ATOM 745 O THR A 48 11.629 0.096 -7.927 1.00 0.00 O ATOM 746 CB THR A 48 14.970 0.415 -8.641 1.00 0.00 C ATOM 747 OG1 THR A 48 14.544 1.049 -9.826 1.00 0.00 O ATOM 748 CG2 THR A 48 15.421 -1.021 -8.945 1.00 0.00 C ATOM 0 H THR A 48 15.582 -0.092 -6.352 1.00 0.00 H new ATOM 0 HA THR A 48 13.543 1.538 -7.563 1.00 0.00 H new ATOM 0 HB THR A 48 15.841 0.947 -8.258 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.232 0.948 -10.517 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.142 -1.011 -9.762 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.884 -1.453 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.557 -1.621 -9.232 1.00 0.00 H new ATOM 756 N GLU A 49 12.849 -1.655 -7.221 1.00 0.00 N ATOM 757 CA GLU A 49 11.735 -2.604 -7.285 1.00 0.00 C ATOM 758 C GLU A 49 10.791 -2.413 -6.094 1.00 0.00 C ATOM 759 O GLU A 49 9.600 -2.701 -6.211 1.00 0.00 O ATOM 760 CB GLU A 49 12.276 -4.053 -7.373 1.00 0.00 C ATOM 761 CG GLU A 49 11.136 -5.081 -7.520 1.00 0.00 C ATOM 762 CD GLU A 49 11.567 -6.531 -7.722 1.00 0.00 C ATOM 763 OE1 GLU A 49 11.698 -6.994 -8.876 1.00 0.00 O ATOM 764 OE2 GLU A 49 11.624 -7.262 -6.707 1.00 0.00 O ATOM 0 H GLU A 49 13.718 -2.051 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 49 11.153 -2.412 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.953 -4.137 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.857 -4.279 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.509 -5.029 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.514 -4.786 -8.365 1.00 0.00 H new ATOM 771 N ALA A 50 11.285 -1.880 -4.971 1.00 0.00 N ATOM 772 CA ALA A 50 10.470 -1.495 -3.836 1.00 0.00 C ATOM 773 C ALA A 50 9.458 -0.478 -4.313 1.00 0.00 C ATOM 774 O ALA A 50 8.266 -0.761 -4.352 1.00 0.00 O ATOM 775 CB ALA A 50 11.308 -0.897 -2.692 1.00 0.00 C ATOM 0 H ALA A 50 12.280 -1.705 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 50 9.981 -2.384 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.653 -0.624 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.036 -1.633 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.830 -0.009 -3.049 1.00 0.00 H new ATOM 781 N PHE A 51 9.921 0.727 -4.638 1.00 0.00 N ATOM 782 CA PHE A 51 8.995 1.827 -4.792 1.00 0.00 C ATOM 783 C PHE A 51 8.178 1.682 -6.083 1.00 0.00 C ATOM 784 O PHE A 51 7.086 2.237 -6.152 1.00 0.00 O ATOM 785 CB PHE A 51 9.712 3.174 -4.636 1.00 0.00 C ATOM 786 CG PHE A 51 10.137 3.819 -5.932 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.004 3.161 -6.825 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.560 5.047 -6.285 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.238 3.702 -8.101 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.818 5.603 -7.542 1.00 0.00 C ATOM 791 CZ PHE A 51 10.643 4.928 -8.461 1.00 0.00 C ATOM 0 H PHE A 51 10.903 0.955 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 51 8.262 1.798 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.054 3.860 -4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.594 3.030 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.489 2.242 -6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.917 5.563 -5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.871 3.180 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.382 6.555 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.820 5.349 -9.440 1.00 0.00 H new ATOM 801 N GLU A 52 8.631 0.870 -7.047 1.00 0.00 N ATOM 802 CA GLU A 52 7.893 0.494 -8.251 1.00 0.00 C ATOM 803 C GLU A 52 6.453 0.078 -7.918 1.00 0.00 C ATOM 804 O GLU A 52 5.483 0.630 -8.447 1.00 0.00 O ATOM 805 CB GLU A 52 8.658 -0.608 -9.003 1.00 0.00 C ATOM 806 CG GLU A 52 9.351 -0.054 -10.253 1.00 0.00 C ATOM 807 CD GLU A 52 8.379 -0.023 -11.431 1.00 0.00 C ATOM 808 OE1 GLU A 52 7.559 0.924 -11.513 1.00 0.00 O ATOM 809 OE2 GLU A 52 8.390 -0.968 -12.249 1.00 0.00 O ATOM 0 H GLU A 52 9.556 0.443 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 52 7.816 1.361 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.400 -1.054 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.968 -1.402 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.724 0.951 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.214 -0.671 -10.502 1.00 0.00 H new ATOM 816 N LYS A 53 6.294 -0.878 -7.000 1.00 0.00 N ATOM 817 CA LYS A 53 4.965 -1.394 -6.682 1.00 0.00 C ATOM 818 C LYS A 53 4.143 -0.423 -5.811 1.00 0.00 C ATOM 819 O LYS A 53 2.930 -0.564 -5.690 1.00 0.00 O ATOM 820 CB LYS A 53 5.080 -2.817 -6.132 1.00 0.00 C ATOM 821 CG LYS A 53 5.549 -2.878 -4.688 1.00 0.00 C ATOM 822 CD LYS A 53 6.127 -4.249 -4.344 1.00 0.00 C ATOM 823 CE LYS A 53 7.642 -4.278 -4.555 1.00 0.00 C ATOM 824 NZ LYS A 53 8.243 -5.517 -4.038 1.00 0.00 N ATOM 0 H LYS A 53 7.056 -1.303 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 53 4.379 -1.463 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.109 -3.307 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.774 -3.383 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.304 -2.111 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.714 -2.657 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.897 -4.494 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.656 -5.012 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.863 -4.183 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.094 -3.420 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.194 -5.637 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.312 -5.463 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.649 -6.328 -4.304 1.00 0.00 H new ATOM 838 N MET A 54 4.772 0.585 -5.198 1.00 0.00 N ATOM 839 CA MET A 54 4.084 1.667 -4.497 1.00 0.00 C ATOM 840 C MET A 54 3.477 2.651 -5.496 1.00 0.00 C ATOM 841 O MET A 54 2.321 3.055 -5.328 1.00 0.00 O ATOM 842 CB MET A 54 5.100 2.351 -3.572 1.00 0.00 C ATOM 843 CG MET A 54 4.828 3.788 -3.126 1.00 0.00 C ATOM 844 SD MET A 54 6.311 4.700 -2.623 1.00 0.00 S ATOM 845 CE MET A 54 7.158 3.405 -1.681 1.00 0.00 C ATOM 0 H MET A 54 5.788 0.671 -5.176 1.00 0.00 H new ATOM 0 HA MET A 54 3.259 1.275 -3.902 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.197 1.738 -2.676 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.067 2.337 -4.074 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.344 4.325 -3.942 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.125 3.772 -2.293 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.656 3.849 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.431 2.668 -1.341 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.898 2.918 -2.316 1.00 0.00 H new ATOM 855 N VAL A 55 4.251 3.086 -6.493 1.00 0.00 N ATOM 856 CA VAL A 55 3.841 4.162 -7.394 1.00 0.00 C ATOM 857 C VAL A 55 2.847 3.728 -8.458 1.00 0.00 C ATOM 858 O VAL A 55 2.254 4.551 -9.153 1.00 0.00 O ATOM 859 CB VAL A 55 5.052 4.757 -8.105 1.00 0.00 C ATOM 860 CG1 VAL A 55 5.904 5.571 -7.123 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.916 3.783 -8.906 1.00 0.00 C ATOM 0 H VAL A 55 5.174 2.704 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 55 3.352 4.897 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 55 4.624 5.407 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.764 5.988 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.305 6.381 -6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.249 4.923 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.744 4.324 -9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.308 3.013 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.312 3.317 -9.684 1.00 0.00 H new ATOM 871 N SER A 56 2.689 2.433 -8.616 1.00 0.00 N ATOM 872 CA SER A 56 1.591 1.857 -9.359 1.00 0.00 C ATOM 873 C SER A 56 0.312 1.962 -8.536 1.00 0.00 C ATOM 874 O SER A 56 -0.708 2.458 -9.028 1.00 0.00 O ATOM 875 CB SER A 56 1.963 0.426 -9.740 1.00 0.00 C ATOM 876 OG SER A 56 2.714 -0.220 -8.734 1.00 0.00 O ATOM 0 H SER A 56 3.329 1.741 -8.226 1.00 0.00 H new ATOM 0 HA SER A 56 1.402 2.398 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.054 -0.144 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.536 0.437 -10.667 1.00 0.00 H new ATOM 0 HG SER A 56 3.657 0.032 -8.818 1.00 0.00 H new ATOM 882 N LEU A 57 0.352 1.541 -7.266 1.00 0.00 N ATOM 883 CA LEU A 57 -0.888 1.306 -6.552 1.00 0.00 C ATOM 884 C LEU A 57 -1.665 2.573 -6.229 1.00 0.00 C ATOM 885 O LEU A 57 -2.883 2.527 -6.126 1.00 0.00 O ATOM 886 CB LEU A 57 -0.769 0.395 -5.353 1.00 0.00 C ATOM 887 CG LEU A 57 -0.222 0.929 -4.027 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.038 2.035 -3.353 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.167 -0.292 -3.120 1.00 0.00 C ATOM 0 H LEU A 57 1.204 1.364 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.485 0.753 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.762 -0.007 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.139 -0.444 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 57 0.737 1.410 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.552 2.331 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.103 2.896 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.041 1.667 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.216 -0.002 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.168 -0.708 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.491 -1.042 -3.559 1.00 0.00 H new ATOM 901 N LEU A 58 -1.026 3.734 -6.101 1.00 0.00 N ATOM 902 CA LEU A 58 -1.789 4.959 -5.853 1.00 0.00 C ATOM 903 C LEU A 58 -2.842 5.178 -6.964 1.00 0.00 C ATOM 904 O LEU A 58 -3.902 5.750 -6.727 1.00 0.00 O ATOM 905 CB LEU A 58 -0.833 6.149 -5.645 1.00 0.00 C ATOM 906 CG LEU A 58 0.367 6.258 -6.603 1.00 0.00 C ATOM 907 CD1 LEU A 58 -0.028 6.085 -8.053 1.00 0.00 C ATOM 908 CD2 LEU A 58 1.128 7.569 -6.411 1.00 0.00 C ATOM 0 H LEU A 58 -0.015 3.854 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.356 4.864 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.414 7.068 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.449 6.101 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 58 1.032 5.434 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.857 6.171 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.479 5.102 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.747 6.857 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.967 7.608 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.460 8.409 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.500 7.627 -5.388 1.00 0.00 H new ATOM 920 N SER A 59 -2.593 4.646 -8.163 1.00 0.00 N ATOM 921 CA SER A 59 -3.318 4.909 -9.378 1.00 0.00 C ATOM 922 C SER A 59 -4.450 3.903 -9.531 1.00 0.00 C ATOM 923 O SER A 59 -5.483 4.237 -10.102 1.00 0.00 O ATOM 924 CB SER A 59 -2.337 4.769 -10.550 1.00 0.00 C ATOM 925 OG SER A 59 -2.810 5.407 -11.722 1.00 0.00 O ATOM 0 H SER A 59 -1.832 3.982 -8.305 1.00 0.00 H new ATOM 0 HA SER A 59 -3.746 5.911 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.374 5.196 -10.269 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.169 3.712 -10.756 1.00 0.00 H new ATOM 0 HG SER A 59 -2.155 5.295 -12.442 1.00 0.00 H new ATOM 931 N VAL A 60 -4.286 2.682 -9.012 1.00 0.00 N ATOM 932 CA VAL A 60 -5.290 1.628 -9.122 1.00 0.00 C ATOM 933 C VAL A 60 -6.521 1.936 -8.239 1.00 0.00 C ATOM 934 O VAL A 60 -7.490 1.175 -8.190 1.00 0.00 O ATOM 935 CB VAL A 60 -4.602 0.256 -8.891 1.00 0.00 C ATOM 936 CG1 VAL A 60 -4.226 -0.089 -7.458 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.444 -0.874 -9.462 1.00 0.00 C ATOM 0 H VAL A 60 -3.449 2.400 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.712 1.581 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.655 0.365 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.754 -1.071 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.531 0.658 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.123 -0.101 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.942 -1.826 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.419 -0.884 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.576 -0.724 -10.533 1.00 0.00 H new ATOM 947 N LEU A 61 -6.477 3.056 -7.517 1.00 0.00 N ATOM 948 CA LEU A 61 -7.323 3.393 -6.386 1.00 0.00 C ATOM 949 C LEU A 61 -7.856 4.788 -6.531 1.00 0.00 C ATOM 950 O LEU A 61 -9.064 4.942 -6.600 1.00 0.00 O ATOM 951 CB LEU A 61 -6.530 3.323 -5.086 1.00 0.00 C ATOM 952 CG LEU A 61 -5.862 1.976 -4.901 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.814 2.126 -3.836 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.878 0.894 -4.568 1.00 0.00 C ATOM 0 H LEU A 61 -5.805 3.795 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.144 2.677 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.773 4.107 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.195 3.516 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.389 1.656 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.314 1.170 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.082 2.871 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.284 2.446 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.366 -0.060 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.396 1.153 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.602 0.812 -5.379 1.00 0.00 H new ATOM 966 N LEU A 62 -6.997 5.800 -6.653 1.00 0.00 N ATOM 967 CA LEU A 62 -7.463 7.155 -6.924 1.00 0.00 C ATOM 968 C LEU A 62 -8.276 7.179 -8.200 1.00 0.00 C ATOM 969 O LEU A 62 -9.223 7.954 -8.277 1.00 0.00 O ATOM 970 CB LEU A 62 -6.271 8.110 -7.051 1.00 0.00 C ATOM 971 CG LEU A 62 -5.915 8.785 -5.720 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.733 7.778 -4.573 1.00 0.00 C ATOM 973 CD2 LEU A 62 -4.640 9.603 -5.935 1.00 0.00 C ATOM 0 H LEU A 62 -5.985 5.707 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.091 7.480 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.405 7.559 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.500 8.875 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.742 9.429 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.482 8.312 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.659 7.221 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.929 7.086 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.362 10.095 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.833 8.942 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.816 10.355 -6.704 1.00 0.00 H new ATOM 985 N SER A 63 -7.973 6.275 -9.133 1.00 0.00 N ATOM 986 CA SER A 63 -8.774 6.187 -10.347 1.00 0.00 C ATOM 987 C SER A 63 -10.191 5.719 -9.979 1.00 0.00 C ATOM 988 O SER A 63 -11.181 6.262 -10.473 1.00 0.00 O ATOM 989 CB SER A 63 -8.071 5.261 -11.344 1.00 0.00 C ATOM 990 OG SER A 63 -8.877 4.985 -12.472 1.00 0.00 O ATOM 0 H SER A 63 -7.200 5.612 -9.073 1.00 0.00 H new ATOM 0 HA SER A 63 -8.873 7.159 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.138 5.721 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.810 4.326 -10.848 1.00 0.00 H new ATOM 0 HG SER A 63 -8.392 4.393 -13.084 1.00 0.00 H new ATOM 996 N MET A 64 -10.298 4.727 -9.094 1.00 0.00 N ATOM 997 CA MET A 64 -11.548 4.082 -8.725 1.00 0.00 C ATOM 998 C MET A 64 -12.335 4.859 -7.656 1.00 0.00 C ATOM 999 O MET A 64 -13.533 4.610 -7.528 1.00 0.00 O ATOM 1000 CB MET A 64 -11.267 2.604 -8.367 1.00 0.00 C ATOM 1001 CG MET A 64 -11.026 2.288 -6.888 1.00 0.00 C ATOM 1002 SD MET A 64 -12.558 1.949 -5.981 1.00 0.00 S ATOM 1003 CE MET A 64 -11.868 1.314 -4.445 1.00 0.00 C ATOM 0 H MET A 64 -9.491 4.343 -8.603 1.00 0.00 H new ATOM 0 HA MET A 64 -12.222 4.091 -9.581 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.110 2.005 -8.710 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.394 2.277 -8.931 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.364 1.425 -6.809 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.512 3.128 -6.421 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.232 0.301 -4.274 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.780 1.302 -4.512 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.173 1.954 -3.617 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.712 5.782 -6.901 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.322 6.343 -5.692 1.00 0.00 C ATOM 1015 C GLN A 65 -12.171 7.853 -5.458 1.00 0.00 C ATOM 1016 O GLN A 65 -12.973 8.398 -4.693 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.814 5.558 -4.469 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.450 6.054 -3.952 1.00 0.00 C ATOM 1019 CD GLN A 65 -9.690 5.064 -3.074 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -8.470 5.061 -3.066 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.359 4.257 -2.267 1.00 0.00 N ATOM 0 H GLN A 65 -10.785 6.153 -7.111 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.395 6.228 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.548 5.633 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.734 4.503 -4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.826 6.310 -4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.606 6.972 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.379 4.260 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.855 3.632 -1.638 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.160 8.519 -6.032 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.815 9.905 -5.707 1.00 0.00 C ATOM 1032 C GLY A 66 -10.504 10.108 -4.215 1.00 0.00 C ATOM 1033 O GLY A 66 -11.211 10.858 -3.538 1.00 0.00 O ATOM 0 H GLY A 66 -10.555 8.105 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.950 10.207 -6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.641 10.557 -5.993 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.477 9.420 -3.696 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.970 9.611 -2.332 1.00 0.00 C ATOM 1039 C ALA A 67 -8.038 10.823 -2.263 1.00 0.00 C ATOM 1040 O ALA A 67 -7.760 11.449 -3.289 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.212 8.359 -1.864 1.00 0.00 C ATOM 0 H ALA A 67 -8.970 8.707 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.824 9.784 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.842 8.515 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.884 7.501 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.372 8.171 -2.532 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.498 11.113 -1.077 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.531 12.186 -0.867 1.00 0.00 C ATOM 1049 C VAL A 68 -5.262 11.668 -0.194 1.00 0.00 C ATOM 1050 O VAL A 68 -4.176 11.894 -0.727 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.166 13.378 -0.120 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.991 14.235 -1.089 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -8.062 12.986 1.061 1.00 0.00 C ATOM 0 H VAL A 68 -7.725 10.600 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.227 12.564 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.323 13.935 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.433 15.072 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.344 14.615 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.783 13.628 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.465 13.886 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.882 12.363 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.476 12.430 1.793 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.364 10.948 0.927 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.258 10.651 1.856 1.00 0.00 C ATOM 1065 C ASP A 69 -3.270 9.601 1.330 1.00 0.00 C ATOM 1066 O ASP A 69 -2.404 9.137 2.065 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.825 10.337 3.255 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.320 11.601 3.966 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.497 12.393 4.475 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -6.544 11.857 3.988 1.00 0.00 O ATOM 0 H ASP A 69 -6.249 10.539 1.228 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.641 11.545 1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.647 9.627 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.055 9.858 3.860 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.315 9.254 0.039 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.517 8.175 -0.548 1.00 0.00 C ATOM 1077 C ILE A 70 -1.026 8.456 -0.476 1.00 0.00 C ATOM 1078 O ILE A 70 -0.200 7.538 -0.476 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.015 7.851 -1.968 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.524 6.499 -2.527 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.683 8.961 -2.984 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.059 5.256 -1.811 1.00 0.00 C ATOM 0 H ILE A 70 -3.917 9.723 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.660 7.276 0.052 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.096 7.782 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.802 6.438 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.435 6.482 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.058 8.678 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.153 9.893 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.603 9.098 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.653 4.361 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.759 5.282 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.147 5.238 -1.877 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.659 9.732 -0.411 1.00 0.00 N ATOM 1095 CA ASN A 71 0.728 10.114 -0.302 1.00 0.00 C ATOM 1096 C ASN A 71 1.244 9.903 1.110 1.00 0.00 C ATOM 1097 O ASN A 71 2.445 9.764 1.248 1.00 0.00 O ATOM 1098 CB ASN A 71 0.908 11.580 -0.718 1.00 0.00 C ATOM 1099 CG ASN A 71 1.115 11.814 -2.210 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.627 12.862 -2.595 1.00 0.00 O ATOM 1101 ND2 ASN A 71 0.696 10.915 -3.084 1.00 0.00 N ATOM 0 H ASN A 71 -1.312 10.515 -0.433 1.00 0.00 H new ATOM 0 HA ASN A 71 1.308 9.480 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.031 12.142 -0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.763 11.990 -0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.797 11.090 -4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.272 10.046 -2.759 1.00 0.00 H new ATOM 1108 N ARG A 72 0.409 9.853 2.152 1.00 0.00 N ATOM 1109 CA ARG A 72 0.918 9.924 3.531 1.00 0.00 C ATOM 1110 C ARG A 72 1.793 8.717 3.835 1.00 0.00 C ATOM 1111 O ARG A 72 2.955 8.867 4.210 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.225 10.097 4.550 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.556 11.571 4.810 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.307 12.181 3.631 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.272 13.648 3.653 1.00 0.00 N ATOM 1116 CZ ARG A 72 -0.424 14.425 2.972 1.00 0.00 C ATOM 1117 NH1 ARG A 72 0.614 13.907 2.321 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.638 15.730 2.956 1.00 0.00 N ATOM 0 H ARG A 72 -0.604 9.765 2.074 1.00 0.00 H new ATOM 0 HA ARG A 72 1.542 10.813 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.116 9.586 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.053 9.618 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.159 11.658 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.364 12.128 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.870 11.822 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.343 11.843 3.648 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.959 14.118 4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.774 12.900 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.250 14.517 1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.436 16.122 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.005 16.344 2.444 1.00 0.00 H new ATOM 1132 N LEU A 73 1.269 7.520 3.583 1.00 0.00 N ATOM 1133 CA LEU A 73 2.044 6.290 3.664 1.00 0.00 C ATOM 1134 C LEU A 73 3.239 6.319 2.705 1.00 0.00 C ATOM 1135 O LEU A 73 4.301 5.801 3.038 1.00 0.00 O ATOM 1136 CB LEU A 73 1.155 5.063 3.401 1.00 0.00 C ATOM 1137 CG LEU A 73 0.410 5.052 2.046 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.129 3.628 1.600 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -0.937 5.773 2.099 1.00 0.00 C ATOM 0 H LEU A 73 0.295 7.378 3.317 1.00 0.00 H new ATOM 0 HA LEU A 73 2.437 6.212 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.775 4.169 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.418 4.994 4.201 1.00 0.00 H new ATOM 0 HG LEU A 73 1.069 5.570 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.396 3.643 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.070 3.089 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.489 3.128 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.411 5.731 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.580 5.289 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.782 6.814 2.383 1.00 0.00 H new ATOM 1151 N CYS A 74 3.101 6.936 1.527 1.00 0.00 N ATOM 1152 CA CYS A 74 4.163 7.064 0.532 1.00 0.00 C ATOM 1153 C CYS A 74 5.235 8.074 0.926 1.00 0.00 C ATOM 1154 O CYS A 74 6.164 8.279 0.147 1.00 0.00 O ATOM 1155 CB CYS A 74 3.586 7.472 -0.822 1.00 0.00 C ATOM 1156 SG CYS A 74 2.533 6.140 -1.463 1.00 0.00 S ATOM 0 H CYS A 74 2.225 7.370 1.235 1.00 0.00 H new ATOM 0 HA CYS A 74 4.632 6.082 0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.007 8.390 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.393 7.681 -1.524 1.00 0.00 H new ATOM 0 HG CYS A 74 1.287 6.412 -1.210 1.00 0.00 H new ATOM 1162 N GLU A 75 5.126 8.699 2.091 1.00 0.00 N ATOM 1163 CA GLU A 75 6.181 9.507 2.669 1.00 0.00 C ATOM 1164 C GLU A 75 6.641 8.896 4.004 1.00 0.00 C ATOM 1165 O GLU A 75 7.434 9.519 4.711 1.00 0.00 O ATOM 1166 CB GLU A 75 5.706 10.953 2.832 1.00 0.00 C ATOM 1167 CG GLU A 75 5.257 11.633 1.533 1.00 0.00 C ATOM 1168 CD GLU A 75 4.950 13.102 1.836 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.895 13.872 2.125 1.00 0.00 O ATOM 1170 OE2 GLU A 75 3.750 13.471 1.874 1.00 0.00 O ATOM 0 H GLU A 75 4.286 8.655 2.667 1.00 0.00 H new ATOM 0 HA GLU A 75 7.041 9.519 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.877 10.971 3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.514 11.538 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.038 11.557 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.374 11.136 1.131 1.00 0.00 H new ATOM 1177 N GLU A 76 6.175 7.687 4.339 1.00 0.00 N ATOM 1178 CA GLU A 76 6.628 6.892 5.472 1.00 0.00 C ATOM 1179 C GLU A 76 7.523 5.758 4.957 1.00 0.00 C ATOM 1180 O GLU A 76 8.724 5.706 5.235 1.00 0.00 O ATOM 1181 CB GLU A 76 5.413 6.344 6.248 1.00 0.00 C ATOM 1182 CG GLU A 76 5.899 5.517 7.434 1.00 0.00 C ATOM 1183 CD GLU A 76 4.783 5.290 8.441 1.00 0.00 C ATOM 1184 OE1 GLU A 76 4.572 6.177 9.304 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.160 4.204 8.422 1.00 0.00 O ATOM 0 H GLU A 76 5.442 7.223 3.802 1.00 0.00 H new ATOM 0 HA GLU A 76 7.207 7.509 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.789 7.167 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.795 5.731 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.275 4.557 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.732 6.026 7.919 1.00 0.00 H new ATOM 1192 N MET A 77 6.939 4.828 4.195 1.00 0.00 N ATOM 1193 CA MET A 77 7.617 3.620 3.724 1.00 0.00 C ATOM 1194 C MET A 77 8.694 3.928 2.681 1.00 0.00 C ATOM 1195 O MET A 77 9.535 3.071 2.416 1.00 0.00 O ATOM 1196 CB MET A 77 6.588 2.606 3.205 1.00 0.00 C ATOM 1197 CG MET A 77 5.895 3.088 1.933 1.00 0.00 C ATOM 1198 SD MET A 77 4.472 2.104 1.409 1.00 0.00 S ATOM 1199 CE MET A 77 3.689 3.362 0.381 1.00 0.00 C ATOM 0 H MET A 77 5.970 4.895 3.885 1.00 0.00 H new ATOM 0 HA MET A 77 8.139 3.175 4.571 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.084 1.656 3.009 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.840 2.422 3.977 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.569 4.117 2.084 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.625 3.101 1.124 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.027 2.882 -0.340 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.111 4.038 1.011 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.455 3.927 -0.150 1.00 0.00 H new ATOM 1209 N LEU A 78 8.685 5.126 2.080 1.00 0.00 N ATOM 1210 CA LEU A 78 9.734 5.514 1.150 1.00 0.00 C ATOM 1211 C LEU A 78 11.026 5.738 1.924 1.00 0.00 C ATOM 1212 O LEU A 78 12.043 5.131 1.616 1.00 0.00 O ATOM 1213 CB LEU A 78 9.364 6.767 0.331 1.00 0.00 C ATOM 1214 CG LEU A 78 9.308 6.509 -1.182 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.016 7.786 -1.961 1.00 0.00 C ATOM 1216 CD2 LEU A 78 10.604 5.923 -1.735 1.00 0.00 C ATOM 0 H LEU A 78 7.964 5.833 2.225 1.00 0.00 H new ATOM 0 HA LEU A 78 9.865 4.706 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.395 7.138 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.093 7.552 0.532 1.00 0.00 H new ATOM 0 HG LEU A 78 8.502 5.787 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.984 7.562 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.055 8.192 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.800 8.518 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.502 5.763 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.425 6.615 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.812 4.972 -1.245 1.00 0.00 H new ATOM 1228 N ASP A 79 10.989 6.578 2.954 1.00 0.00 N ATOM 1229 CA ASP A 79 12.167 6.895 3.754 1.00 0.00 C ATOM 1230 C ASP A 79 12.682 5.654 4.470 1.00 0.00 C ATOM 1231 O ASP A 79 13.880 5.376 4.509 1.00 0.00 O ATOM 1232 CB ASP A 79 11.829 7.989 4.768 1.00 0.00 C ATOM 1233 CG ASP A 79 13.056 8.842 5.049 1.00 0.00 C ATOM 1234 OD1 ASP A 79 13.419 9.643 4.152 1.00 0.00 O ATOM 1235 OD2 ASP A 79 13.629 8.770 6.154 1.00 0.00 O ATOM 0 H ASP A 79 10.142 7.058 3.257 1.00 0.00 H new ATOM 0 HA ASP A 79 12.952 7.256 3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.023 8.614 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.470 7.539 5.694 1.00 0.00 H new ATOM 1240 N ASN A 80 11.746 4.845 4.966 1.00 0.00 N ATOM 1241 CA ASN A 80 12.080 3.647 5.723 1.00 0.00 C ATOM 1242 C ASN A 80 12.714 2.557 4.867 1.00 0.00 C ATOM 1243 O ASN A 80 13.425 1.744 5.438 1.00 0.00 O ATOM 1244 CB ASN A 80 10.866 3.059 6.446 1.00 0.00 C ATOM 1245 CG ASN A 80 10.580 3.781 7.755 1.00 0.00 C ATOM 1246 OD1 ASN A 80 11.071 3.382 8.803 1.00 0.00 O ATOM 1247 ND2 ASN A 80 9.772 4.832 7.752 1.00 0.00 N ATOM 0 H ASN A 80 10.745 5.003 4.854 1.00 0.00 H new ATOM 0 HA ASN A 80 12.812 3.981 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.992 3.122 5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.039 2.001 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.557 5.312 8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.366 5.160 6.876 1.00 0.00 H new ATOM 1254 N ARG A 81 12.520 2.491 3.538 1.00 0.00 N ATOM 1255 CA ARG A 81 13.362 1.584 2.748 1.00 0.00 C ATOM 1256 C ARG A 81 14.760 2.165 2.590 1.00 0.00 C ATOM 1257 O ARG A 81 15.729 1.416 2.472 1.00 0.00 O ATOM 1258 CB ARG A 81 12.763 1.246 1.376 1.00 0.00 C ATOM 1259 CG ARG A 81 12.508 2.436 0.442 1.00 0.00 C ATOM 1260 CD ARG A 81 12.877 2.151 -1.011 1.00 0.00 C ATOM 1261 NE ARG A 81 12.972 3.408 -1.791 1.00 0.00 N ATOM 1262 CZ ARG A 81 13.968 4.311 -1.762 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.169 4.004 -1.284 1.00 0.00 N ATOM 1264 NH2 ARG A 81 13.789 5.533 -2.242 1.00 0.00 N ATOM 0 H ARG A 81 11.827 3.024 3.013 1.00 0.00 H new ATOM 0 HA ARG A 81 13.417 0.646 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.433 0.550 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.819 0.724 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.455 2.712 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.080 3.294 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.829 1.621 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.129 1.497 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 81 12.195 3.611 -2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.352 3.066 -0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.908 4.707 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.888 5.798 -2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.553 6.209 -2.214 1.00 0.00 H new ATOM 1278 N ALA A 82 14.850 3.492 2.521 1.00 0.00 N ATOM 1279 CA ALA A 82 16.050 4.194 2.121 1.00 0.00 C ATOM 1280 C ALA A 82 17.116 4.154 3.220 1.00 0.00 C ATOM 1281 O ALA A 82 18.308 4.196 2.914 1.00 0.00 O ATOM 1282 CB ALA A 82 15.701 5.615 1.690 1.00 0.00 C ATOM 0 H ALA A 82 14.073 4.113 2.747 1.00 0.00 H new ATOM 0 HA ALA A 82 16.488 3.686 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.609 6.138 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.008 5.580 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.236 6.144 2.522 1.00 0.00 H new ATOM 1288 N THR A 83 16.720 4.017 4.486 1.00 0.00 N ATOM 1289 CA THR A 83 17.671 3.942 5.597 1.00 0.00 C ATOM 1290 C THR A 83 18.546 2.672 5.488 1.00 0.00 C ATOM 1291 O THR A 83 19.725 2.694 5.849 1.00 0.00 O ATOM 1292 CB THR A 83 16.922 4.182 6.921 1.00 0.00 C ATOM 1293 OG1 THR A 83 17.772 4.434 8.019 1.00 0.00 O ATOM 1294 CG2 THR A 83 16.041 3.023 7.338 1.00 0.00 C ATOM 0 H THR A 83 15.742 3.955 4.769 1.00 0.00 H new ATOM 0 HA THR A 83 18.412 4.741 5.557 1.00 0.00 H new ATOM 0 HB THR A 83 16.321 5.062 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 83 17.232 4.578 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 83 15.545 3.263 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 83 15.291 2.841 6.568 1.00 0.00 H new ATOM 0 HG23 THR A 83 16.652 2.130 7.468 1.00 0.00 H new