USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 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 -177:sc= -1.98 (180deg=-1.94) USER MOD Set 1.2: A 77 MET CE :methyl 153:sc= -3.04 (180deg=-4.26!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 27:sc= 0.151 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.007) USER MOD Single : A 21 GLN :FLIP amide:sc= -2.72! C(o=-4.2!,f=-2.7!) USER MOD Single : A 26 SER OG : rot -97:sc= 0.116 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0.026) USER MOD Single : A 39 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00488 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0.974 (180deg=0.942) USER MOD Single : A 56 SER OG : rot 88:sc= 1.23 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 -154:sc= -1.09 (180deg=-4.02!) USER MOD Single : A 65 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.3) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 74 CYS SG : rot 61:sc= -0.513 USER MOD Single : A 80 ASN : amide:sc= 0.767 K(o=0.77,f=-0.007) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -1.701 -9.776 4.396 1.00 0.00 N ATOM 99 CA VAL A 8 -2.622 -8.661 4.453 1.00 0.00 C ATOM 100 C VAL A 8 -2.731 -8.232 5.910 1.00 0.00 C ATOM 101 O VAL A 8 -3.695 -8.551 6.608 1.00 0.00 O ATOM 102 CB VAL A 8 -3.965 -8.981 3.748 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.715 -7.680 3.452 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.782 -9.753 2.428 1.00 0.00 C ATOM 0 HA VAL A 8 -2.252 -7.808 3.885 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.531 -9.616 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.659 -7.909 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.914 -7.154 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.108 -7.050 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.757 -9.947 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.180 -9.160 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.279 -10.699 2.627 1.00 0.00 H new ATOM 114 N LYS A 9 -1.696 -7.556 6.413 1.00 0.00 N ATOM 115 CA LYS A 9 -1.657 -7.064 7.780 1.00 0.00 C ATOM 116 C LYS A 9 -1.798 -5.563 7.803 1.00 0.00 C ATOM 117 O LYS A 9 -0.818 -4.826 7.724 1.00 0.00 O ATOM 118 CB LYS A 9 -0.448 -7.554 8.563 1.00 0.00 C ATOM 119 CG LYS A 9 0.900 -7.306 7.884 1.00 0.00 C ATOM 120 CD LYS A 9 1.557 -8.665 7.712 1.00 0.00 C ATOM 121 CE LYS A 9 2.968 -8.452 7.178 1.00 0.00 C ATOM 122 NZ LYS A 9 3.832 -9.632 7.345 1.00 0.00 N ATOM 0 H LYS A 9 -0.858 -7.336 5.874 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.514 -7.490 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.443 -7.067 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.558 -8.624 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.764 -6.817 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.523 -6.648 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.588 -9.195 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.979 -9.281 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.915 -8.195 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.420 -7.603 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.778 -9.427 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.909 -9.865 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.420 -10.439 6.834 1.00 0.00 H new ATOM 136 N CYS A 10 -3.048 -5.130 7.859 1.00 0.00 N ATOM 137 CA CYS A 10 -3.428 -3.737 7.840 1.00 0.00 C ATOM 138 C CYS A 10 -2.799 -3.036 9.043 1.00 0.00 C ATOM 139 O CYS A 10 -3.079 -3.440 10.179 1.00 0.00 O ATOM 140 CB CYS A 10 -4.957 -3.703 7.768 1.00 0.00 C ATOM 141 SG CYS A 10 -5.756 -4.406 9.240 1.00 0.00 S ATOM 0 H CYS A 10 -3.846 -5.762 7.921 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.057 -3.183 6.977 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.286 -2.672 7.641 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.285 -4.253 6.886 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.967 -4.277 10.265 1.00 0.00 H new ATOM 147 N THR A 11 -1.916 -2.059 8.803 1.00 0.00 N ATOM 148 CA THR A 11 -1.125 -1.496 9.886 1.00 0.00 C ATOM 149 C THR A 11 -1.271 0.021 9.985 1.00 0.00 C ATOM 150 O THR A 11 -2.201 0.494 10.653 1.00 0.00 O ATOM 151 CB THR A 11 0.294 -2.115 9.827 1.00 0.00 C ATOM 152 OG1 THR A 11 0.959 -1.889 11.044 1.00 0.00 O ATOM 153 CG2 THR A 11 1.189 -1.684 8.658 1.00 0.00 C ATOM 0 H THR A 11 -1.738 -1.653 7.884 1.00 0.00 H new ATOM 0 HA THR A 11 -1.503 -1.779 10.868 1.00 0.00 H new ATOM 0 HB THR A 11 0.117 -3.175 9.648 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.856 -2.283 11.005 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.153 -2.188 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.711 -1.953 7.716 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.340 -0.605 8.694 1.00 0.00 H new ATOM 161 N SER A 12 -0.475 0.786 9.258 1.00 0.00 N ATOM 162 CA SER A 12 -0.406 2.227 9.353 1.00 0.00 C ATOM 163 C SER A 12 -1.682 2.827 8.789 1.00 0.00 C ATOM 164 O SER A 12 -2.009 2.608 7.623 1.00 0.00 O ATOM 165 CB SER A 12 0.825 2.641 8.560 1.00 0.00 C ATOM 166 OG SER A 12 1.967 2.217 9.277 1.00 0.00 O ATOM 0 H SER A 12 0.163 0.403 8.561 1.00 0.00 H new ATOM 0 HA SER A 12 -0.321 2.580 10.381 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.809 2.191 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.842 3.722 8.419 1.00 0.00 H new ATOM 0 HG SER A 12 2.775 2.471 8.785 1.00 0.00 H new ATOM 172 N VAL A 13 -2.435 3.565 9.603 1.00 0.00 N ATOM 173 CA VAL A 13 -3.728 4.086 9.173 1.00 0.00 C ATOM 174 C VAL A 13 -3.603 5.035 7.977 1.00 0.00 C ATOM 175 O VAL A 13 -4.584 5.220 7.268 1.00 0.00 O ATOM 176 CB VAL A 13 -4.473 4.744 10.339 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.737 3.733 11.459 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.724 5.955 10.901 1.00 0.00 C ATOM 0 H VAL A 13 -2.173 3.813 10.557 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.320 3.236 8.835 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.424 5.097 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.267 4.224 12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.344 2.913 11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.789 3.341 11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.294 6.385 11.725 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.744 5.642 11.262 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.600 6.702 10.117 1.00 0.00 H new ATOM 188 N VAL A 14 -2.406 5.557 7.700 1.00 0.00 N ATOM 189 CA VAL A 14 -2.076 6.387 6.552 1.00 0.00 C ATOM 190 C VAL A 14 -2.653 5.790 5.255 1.00 0.00 C ATOM 191 O VAL A 14 -3.229 6.513 4.446 1.00 0.00 O ATOM 192 CB VAL A 14 -0.535 6.541 6.497 1.00 0.00 C ATOM 193 CG1 VAL A 14 -0.105 7.536 5.418 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.069 7.012 7.833 1.00 0.00 C ATOM 0 H VAL A 14 -1.601 5.400 8.307 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.527 7.374 6.654 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.161 5.543 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.982 7.617 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.450 7.188 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.540 8.513 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.151 7.101 7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.352 7.981 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.164 6.287 8.613 1.00 0.00 H new ATOM 204 N LEU A 15 -2.541 4.470 5.062 1.00 0.00 N ATOM 205 CA LEU A 15 -3.048 3.793 3.865 1.00 0.00 C ATOM 206 C LEU A 15 -4.450 3.255 4.049 1.00 0.00 C ATOM 207 O LEU A 15 -5.160 3.123 3.058 1.00 0.00 O ATOM 208 CB LEU A 15 -2.156 2.621 3.408 1.00 0.00 C ATOM 209 CG LEU A 15 -1.483 1.790 4.514 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.383 0.309 4.159 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.080 2.318 4.838 1.00 0.00 C ATOM 0 H LEU A 15 -2.096 3.843 5.732 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.045 4.571 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.762 1.950 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.375 3.020 2.760 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.125 1.892 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.900 -0.229 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.383 -0.095 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.795 0.192 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.366 1.708 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.542 2.271 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.150 3.352 5.177 1.00 0.00 H new ATOM 223 N LEU A 16 -4.873 2.897 5.258 1.00 0.00 N ATOM 224 CA LEU A 16 -6.208 2.347 5.432 1.00 0.00 C ATOM 225 C LEU A 16 -7.270 3.436 5.431 1.00 0.00 C ATOM 226 O LEU A 16 -8.350 3.262 4.864 1.00 0.00 O ATOM 227 CB LEU A 16 -6.276 1.583 6.754 1.00 0.00 C ATOM 228 CG LEU A 16 -5.704 0.163 6.749 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.282 -0.628 5.572 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.179 0.126 6.745 1.00 0.00 C ATOM 0 H LEU A 16 -4.323 2.976 6.113 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.405 1.678 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.747 2.162 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.319 1.530 7.065 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.007 -0.308 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.870 -1.637 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.367 -0.678 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.021 -0.132 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.840 -0.910 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.805 0.633 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.801 0.629 7.635 1.00 0.00 H new ATOM 242 N SER A 17 -6.986 4.550 6.093 1.00 0.00 N ATOM 243 CA SER A 17 -7.926 5.628 6.326 1.00 0.00 C ATOM 244 C SER A 17 -8.324 6.217 4.983 1.00 0.00 C ATOM 245 O SER A 17 -9.498 6.470 4.744 1.00 0.00 O ATOM 246 CB SER A 17 -7.276 6.681 7.239 1.00 0.00 C ATOM 247 OG SER A 17 -8.213 7.664 7.654 1.00 0.00 O ATOM 0 H SER A 17 -6.065 4.730 6.493 1.00 0.00 H new ATOM 0 HA SER A 17 -8.823 5.264 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.850 6.191 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.453 7.162 6.711 1.00 0.00 H new ATOM 0 HG SER A 17 -7.767 8.316 8.234 1.00 0.00 H new ATOM 253 N VAL A 18 -7.388 6.338 4.044 1.00 0.00 N ATOM 254 CA VAL A 18 -7.693 6.867 2.726 1.00 0.00 C ATOM 255 C VAL A 18 -8.672 6.007 1.945 1.00 0.00 C ATOM 256 O VAL A 18 -9.268 6.512 1.000 1.00 0.00 O ATOM 257 CB VAL A 18 -6.407 7.133 1.943 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.657 8.225 2.669 1.00 0.00 C ATOM 259 CG2 VAL A 18 -5.444 5.983 1.785 1.00 0.00 C ATOM 0 H VAL A 18 -6.411 6.075 4.177 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.204 7.818 2.875 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.741 7.376 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.730 8.444 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.272 9.124 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.427 7.896 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.578 6.310 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.120 5.642 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.938 5.164 1.262 1.00 0.00 H new ATOM 269 N LEU A 19 -8.899 4.758 2.349 1.00 0.00 N ATOM 270 CA LEU A 19 -9.807 3.843 1.680 1.00 0.00 C ATOM 271 C LEU A 19 -11.124 3.806 2.441 1.00 0.00 C ATOM 272 O LEU A 19 -12.188 3.860 1.818 1.00 0.00 O ATOM 273 CB LEU A 19 -9.158 2.457 1.543 1.00 0.00 C ATOM 274 CG LEU A 19 -7.696 2.494 1.074 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.116 1.083 1.057 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.507 3.164 -0.288 1.00 0.00 C ATOM 0 H LEU A 19 -8.445 4.351 3.167 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.018 4.187 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.207 1.948 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.740 1.863 0.838 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.156 3.110 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.079 1.120 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.159 0.660 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.695 0.460 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.450 3.154 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.077 2.622 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.859 4.194 -0.239 1.00 0.00 H new ATOM 288 N GLN A 20 -11.045 3.759 3.772 1.00 0.00 N ATOM 289 CA GLN A 20 -12.164 3.871 4.702 1.00 0.00 C ATOM 290 C GLN A 20 -12.819 5.253 4.625 1.00 0.00 C ATOM 291 O GLN A 20 -13.973 5.389 5.018 1.00 0.00 O ATOM 292 CB GLN A 20 -11.647 3.578 6.123 1.00 0.00 C ATOM 293 CG GLN A 20 -11.179 2.118 6.272 1.00 0.00 C ATOM 294 CD GLN A 20 -10.509 1.797 7.607 1.00 0.00 C ATOM 295 OE1 GLN A 20 -10.884 0.866 8.321 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.473 2.531 7.969 1.00 0.00 N ATOM 0 H GLN A 20 -10.153 3.636 4.252 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.933 3.147 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.821 4.250 6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.436 3.782 6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.039 1.460 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.481 1.890 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.163 3.302 7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.983 2.327 8.840 1.00 0.00 H new ATOM 305 N GLN A 21 -12.142 6.259 4.060 1.00 0.00 N ATOM 306 CA GLN A 21 -12.714 7.558 3.770 1.00 0.00 C ATOM 307 C GLN A 21 -13.894 7.402 2.837 1.00 0.00 C ATOM 308 O GLN A 21 -14.889 8.103 3.022 1.00 0.00 O ATOM 309 CB GLN A 21 -11.689 8.474 3.091 1.00 0.00 C ATOM 310 CG GLN A 21 -11.078 9.396 4.121 1.00 0.00 C ATOM 311 CD GLN A 21 -10.164 10.436 3.530 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.867 10.212 3.690 1.00 0.00 O flip ATOM 313 NE2 GLN A 21 -10.601 11.380 2.883 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.162 6.181 3.790 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.026 8.001 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.911 7.877 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.170 9.057 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.877 9.895 4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.519 8.801 4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.608 11.511 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.958 12.035 2.439 1.00 0.00 H new ATOM 322 N LEU A 22 -13.749 6.546 1.818 1.00 0.00 N ATOM 323 CA LEU A 22 -14.720 6.526 0.752 1.00 0.00 C ATOM 324 C LEU A 22 -15.737 5.441 1.088 1.00 0.00 C ATOM 325 O LEU A 22 -16.736 5.738 1.736 1.00 0.00 O ATOM 326 CB LEU A 22 -14.132 6.393 -0.664 1.00 0.00 C ATOM 327 CG LEU A 22 -13.090 7.421 -1.116 1.00 0.00 C ATOM 328 CD1 LEU A 22 -13.580 8.838 -1.052 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.755 7.295 -0.403 1.00 0.00 C ATOM 0 H LEU A 22 -12.983 5.879 1.722 1.00 0.00 H new ATOM 0 HA LEU A 22 -15.203 7.502 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.681 5.404 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.960 6.425 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.924 7.174 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.791 9.511 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.451 8.951 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.855 9.082 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.070 8.056 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.900 7.432 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.335 6.306 -0.589 1.00 0.00 H new ATOM 341 N ARG A 23 -15.455 4.183 0.705 1.00 0.00 N ATOM 342 CA ARG A 23 -16.393 3.052 0.772 1.00 0.00 C ATOM 343 C ARG A 23 -15.719 1.705 0.436 1.00 0.00 C ATOM 344 O ARG A 23 -16.156 0.929 -0.414 1.00 0.00 O ATOM 345 CB ARG A 23 -17.624 3.336 -0.123 1.00 0.00 C ATOM 346 CG ARG A 23 -17.452 3.204 -1.645 1.00 0.00 C ATOM 347 CD ARG A 23 -16.106 3.676 -2.213 1.00 0.00 C ATOM 348 NE ARG A 23 -15.899 3.323 -3.623 1.00 0.00 N ATOM 349 CZ ARG A 23 -15.720 2.088 -4.106 1.00 0.00 C ATOM 350 NH1 ARG A 23 -15.806 1.015 -3.324 1.00 0.00 N ATOM 351 NH2 ARG A 23 -15.438 1.942 -5.391 1.00 0.00 N ATOM 0 H ARG A 23 -14.544 3.920 0.331 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.735 2.955 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.423 2.661 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.965 4.350 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.592 2.158 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.247 3.769 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.037 4.759 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.301 3.245 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.891 4.089 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.013 1.123 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.665 0.085 -3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.361 2.762 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.298 1.009 -5.780 1.00 0.00 H new ATOM 365 N VAL A 24 -14.508 1.512 0.935 1.00 0.00 N ATOM 366 CA VAL A 24 -13.680 0.345 0.631 1.00 0.00 C ATOM 367 C VAL A 24 -14.361 -0.939 1.088 1.00 0.00 C ATOM 368 O VAL A 24 -15.058 -0.989 2.099 1.00 0.00 O ATOM 369 CB VAL A 24 -12.265 0.485 1.223 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.284 0.732 2.725 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.351 -0.718 0.952 1.00 0.00 C ATOM 0 H VAL A 24 -14.061 2.170 1.574 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.566 0.289 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.856 1.352 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.262 0.823 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.828 1.653 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.776 -0.103 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.374 -0.541 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.793 -1.615 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.237 -0.853 -0.124 1.00 0.00 H new ATOM 381 N GLU A 25 -14.052 -2.000 0.360 1.00 0.00 N ATOM 382 CA GLU A 25 -14.528 -3.337 0.607 1.00 0.00 C ATOM 383 C GLU A 25 -13.366 -4.169 1.124 1.00 0.00 C ATOM 384 O GLU A 25 -12.434 -4.467 0.376 1.00 0.00 O ATOM 385 CB GLU A 25 -15.113 -3.898 -0.686 1.00 0.00 C ATOM 386 CG GLU A 25 -16.308 -3.062 -1.144 1.00 0.00 C ATOM 387 CD GLU A 25 -17.097 -3.839 -2.186 1.00 0.00 C ATOM 388 OE1 GLU A 25 -17.966 -4.650 -1.810 1.00 0.00 O ATOM 389 OE2 GLU A 25 -16.829 -3.659 -3.400 1.00 0.00 O ATOM 0 H GLU A 25 -13.436 -1.943 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.317 -3.351 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.349 -3.906 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.423 -4.932 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.946 -2.822 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.965 -2.116 -1.562 1.00 0.00 H new ATOM 396 N SER A 26 -13.423 -4.505 2.410 1.00 0.00 N ATOM 397 CA SER A 26 -12.607 -5.517 3.070 1.00 0.00 C ATOM 398 C SER A 26 -12.763 -6.867 2.365 1.00 0.00 C ATOM 399 O SER A 26 -11.776 -7.516 2.022 1.00 0.00 O ATOM 400 CB SER A 26 -12.999 -5.562 4.556 1.00 0.00 C ATOM 401 OG SER A 26 -14.374 -5.234 4.746 1.00 0.00 O ATOM 0 H SER A 26 -14.074 -4.054 3.052 1.00 0.00 H new ATOM 0 HA SER A 26 -11.548 -5.266 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.803 -6.557 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.377 -4.866 5.118 1.00 0.00 H new ATOM 0 HG SER A 26 -14.454 -4.288 4.988 1.00 0.00 H new ATOM 407 N SER A 27 -14.009 -7.254 2.073 1.00 0.00 N ATOM 408 CA SER A 27 -14.361 -8.431 1.288 1.00 0.00 C ATOM 409 C SER A 27 -14.166 -8.152 -0.215 1.00 0.00 C ATOM 410 O SER A 27 -15.039 -8.438 -1.033 1.00 0.00 O ATOM 411 CB SER A 27 -15.798 -8.833 1.654 1.00 0.00 C ATOM 412 OG SER A 27 -16.048 -10.199 1.394 1.00 0.00 O ATOM 0 H SER A 27 -14.827 -6.734 2.391 1.00 0.00 H new ATOM 0 HA SER A 27 -13.705 -9.271 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.974 -8.627 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.501 -8.222 1.088 1.00 0.00 H new ATOM 0 HG SER A 27 -16.971 -10.415 1.641 1.00 0.00 H new ATOM 418 N SER A 28 -13.035 -7.569 -0.603 1.00 0.00 N ATOM 419 CA SER A 28 -12.588 -7.428 -1.977 1.00 0.00 C ATOM 420 C SER A 28 -11.069 -7.364 -1.934 1.00 0.00 C ATOM 421 O SER A 28 -10.494 -6.944 -0.925 1.00 0.00 O ATOM 422 CB SER A 28 -13.165 -6.136 -2.565 1.00 0.00 C ATOM 423 OG SER A 28 -12.888 -6.001 -3.945 1.00 0.00 O ATOM 0 H SER A 28 -12.379 -7.165 0.066 1.00 0.00 H new ATOM 0 HA SER A 28 -12.919 -8.259 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.244 -6.120 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.753 -5.281 -2.029 1.00 0.00 H new ATOM 0 HG SER A 28 -13.276 -5.164 -4.276 1.00 0.00 H new ATOM 429 N LYS A 29 -10.396 -7.684 -3.046 1.00 0.00 N ATOM 430 CA LYS A 29 -8.940 -7.532 -3.106 1.00 0.00 C ATOM 431 C LYS A 29 -8.498 -6.104 -2.839 1.00 0.00 C ATOM 432 O LYS A 29 -7.368 -5.879 -2.441 1.00 0.00 O ATOM 433 CB LYS A 29 -8.325 -8.101 -4.392 1.00 0.00 C ATOM 434 CG LYS A 29 -8.154 -7.112 -5.553 1.00 0.00 C ATOM 435 CD LYS A 29 -9.442 -6.875 -6.327 1.00 0.00 C ATOM 436 CE LYS A 29 -9.474 -5.424 -6.774 1.00 0.00 C ATOM 437 NZ LYS A 29 -10.300 -5.266 -7.985 1.00 0.00 N ATOM 0 H LYS A 29 -10.826 -8.042 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.545 -8.142 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.348 -8.518 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.948 -8.927 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.791 -6.161 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.391 -7.489 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.493 -7.539 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.306 -7.098 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.872 -4.801 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.460 -5.078 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.307 -4.266 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.904 -5.844 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.272 -5.576 -7.785 1.00 0.00 H new ATOM 451 N LEU A 30 -9.371 -5.133 -3.088 1.00 0.00 N ATOM 452 CA LEU A 30 -9.068 -3.712 -2.970 1.00 0.00 C ATOM 453 C LEU A 30 -8.468 -3.368 -1.609 1.00 0.00 C ATOM 454 O LEU A 30 -7.398 -2.771 -1.551 1.00 0.00 O ATOM 455 CB LEU A 30 -10.334 -2.893 -3.293 1.00 0.00 C ATOM 456 CG LEU A 30 -10.091 -1.442 -3.700 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.549 -0.549 -2.578 1.00 0.00 C ATOM 458 CD2 LEU A 30 -9.231 -1.360 -4.959 1.00 0.00 C ATOM 0 H LEU A 30 -10.330 -5.317 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.299 -3.448 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.873 -3.393 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.985 -2.903 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.076 -1.033 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.406 0.463 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.260 -0.531 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.595 -0.943 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.074 -0.315 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.268 -1.835 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.736 -1.871 -5.779 1.00 0.00 H new ATOM 470 N TRP A 31 -9.105 -3.769 -0.513 1.00 0.00 N ATOM 471 CA TRP A 31 -8.574 -3.544 0.831 1.00 0.00 C ATOM 472 C TRP A 31 -7.215 -4.213 1.069 1.00 0.00 C ATOM 473 O TRP A 31 -6.500 -3.822 1.988 1.00 0.00 O ATOM 474 CB TRP A 31 -9.589 -4.083 1.836 1.00 0.00 C ATOM 475 CG TRP A 31 -9.127 -4.153 3.254 1.00 0.00 C ATOM 476 CD1 TRP A 31 -8.876 -3.090 4.042 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.701 -5.322 4.011 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.425 -3.518 5.278 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.243 -4.889 5.291 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.607 -6.698 3.716 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -7.724 -5.791 6.233 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.062 -7.604 4.643 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.616 -7.151 5.895 1.00 0.00 C ATOM 0 H TRP A 31 -10.000 -4.257 -0.529 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.413 -2.473 0.951 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.480 -3.457 1.795 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.887 -5.083 1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.007 -2.058 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.250 -2.904 6.074 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.959 -7.062 2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.411 -5.444 7.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.986 -8.652 4.391 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.189 -7.849 6.600 1.00 0.00 H new ATOM 494 N ALA A 32 -6.814 -5.153 0.226 1.00 0.00 N ATOM 495 CA ALA A 32 -5.477 -5.713 0.228 1.00 0.00 C ATOM 496 C ALA A 32 -4.527 -5.011 -0.746 1.00 0.00 C ATOM 497 O ALA A 32 -3.342 -4.976 -0.440 1.00 0.00 O ATOM 498 CB ALA A 32 -5.542 -7.198 -0.082 1.00 0.00 C ATOM 0 H ALA A 32 -7.421 -5.553 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.068 -5.555 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.535 -7.615 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.145 -7.701 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.993 -7.345 -1.063 1.00 0.00 H new ATOM 504 N GLN A 33 -4.991 -4.434 -1.865 1.00 0.00 N ATOM 505 CA GLN A 33 -4.149 -3.803 -2.899 1.00 0.00 C ATOM 506 C GLN A 33 -3.178 -2.779 -2.316 1.00 0.00 C ATOM 507 O GLN A 33 -2.125 -2.529 -2.892 1.00 0.00 O ATOM 508 CB GLN A 33 -4.990 -3.062 -3.944 1.00 0.00 C ATOM 509 CG GLN A 33 -5.749 -3.972 -4.903 1.00 0.00 C ATOM 510 CD GLN A 33 -4.884 -4.677 -5.935 1.00 0.00 C ATOM 511 OE1 GLN A 33 -4.645 -5.879 -5.858 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.456 -3.954 -6.952 1.00 0.00 N ATOM 0 H GLN A 33 -5.986 -4.391 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.600 -4.628 -3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.705 -2.421 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.336 -2.410 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.282 -4.724 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.501 -3.380 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.667 -2.957 -6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.914 -4.392 -7.697 1.00 0.00 H new ATOM 521 N CYS A 34 -3.565 -2.155 -1.204 1.00 0.00 N ATOM 522 CA CYS A 34 -2.682 -1.262 -0.460 1.00 0.00 C ATOM 523 C CYS A 34 -1.994 -2.071 0.639 1.00 0.00 C ATOM 524 O CYS A 34 -0.771 -2.162 0.664 1.00 0.00 O ATOM 525 CB CYS A 34 -3.457 -0.038 0.061 1.00 0.00 C ATOM 526 SG CYS A 34 -2.632 1.522 -0.353 1.00 0.00 S ATOM 0 H CYS A 34 -4.495 -2.254 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.905 -0.854 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.462 -0.039 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.567 -0.113 1.143 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.330 2.517 0.108 1.00 0.00 H new ATOM 532 N VAL A 35 -2.767 -2.685 1.536 1.00 0.00 N ATOM 533 CA VAL A 35 -2.267 -3.362 2.729 1.00 0.00 C ATOM 534 C VAL A 35 -1.164 -4.387 2.450 1.00 0.00 C ATOM 535 O VAL A 35 -0.166 -4.394 3.163 1.00 0.00 O ATOM 536 CB VAL A 35 -3.450 -3.973 3.501 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.017 -4.954 4.590 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.284 -2.879 4.167 1.00 0.00 C ATOM 0 H VAL A 35 -3.782 -2.725 1.449 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.780 -2.610 3.350 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.033 -4.515 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.898 -5.348 5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.460 -5.775 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.384 -4.439 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.115 -3.333 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.660 -2.320 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.673 -2.203 3.405 1.00 0.00 H new ATOM 548 N GLN A 36 -1.324 -5.284 1.477 1.00 0.00 N ATOM 549 CA GLN A 36 -0.311 -6.304 1.245 1.00 0.00 C ATOM 550 C GLN A 36 0.901 -5.699 0.530 1.00 0.00 C ATOM 551 O GLN A 36 2.040 -6.026 0.856 1.00 0.00 O ATOM 552 CB GLN A 36 -0.912 -7.527 0.547 1.00 0.00 C ATOM 553 CG GLN A 36 -1.417 -7.304 -0.882 1.00 0.00 C ATOM 554 CD GLN A 36 -0.575 -8.041 -1.910 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.567 -7.483 -2.276 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.953 -9.109 -2.393 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.128 -5.323 0.851 1.00 0.00 H new ATOM 0 HA GLN A 36 0.061 -6.675 2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.159 -8.315 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.742 -7.894 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.452 -7.638 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.409 -6.237 -1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.838 -9.519 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.381 -9.583 -3.092 1.00 0.00 H new ATOM 565 N LEU A 37 0.663 -4.797 -0.429 1.00 0.00 N ATOM 566 CA LEU A 37 1.699 -4.131 -1.214 1.00 0.00 C ATOM 567 C LEU A 37 2.524 -3.187 -0.326 1.00 0.00 C ATOM 568 O LEU A 37 3.679 -2.903 -0.623 1.00 0.00 O ATOM 569 CB LEU A 37 1.031 -3.404 -2.390 1.00 0.00 C ATOM 570 CG LEU A 37 1.912 -3.333 -3.657 1.00 0.00 C ATOM 571 CD1 LEU A 37 1.034 -3.246 -4.913 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.945 -2.204 -3.610 1.00 0.00 C ATOM 0 H LEU A 37 -0.281 -4.505 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 37 2.401 -4.861 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.097 -3.910 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.773 -2.391 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 37 2.489 -4.257 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.669 -3.197 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.396 -4.128 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.413 -2.352 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.531 -2.209 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.433 -1.247 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.607 -2.352 -2.757 1.00 0.00 H new ATOM 584 N HIS A 38 1.975 -2.729 0.802 1.00 0.00 N ATOM 585 CA HIS A 38 2.694 -1.990 1.832 1.00 0.00 C ATOM 586 C HIS A 38 3.882 -2.799 2.337 1.00 0.00 C ATOM 587 O HIS A 38 4.991 -2.270 2.384 1.00 0.00 O ATOM 588 CB HIS A 38 1.723 -1.615 2.956 1.00 0.00 C ATOM 589 CG HIS A 38 2.366 -0.946 4.137 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.681 -1.551 5.336 1.00 0.00 N ATOM 591 CD2 HIS A 38 2.734 0.367 4.216 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.269 -0.624 6.108 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.308 0.559 5.471 1.00 0.00 N ATOM 0 H HIS A 38 0.990 -2.868 1.026 1.00 0.00 H new ATOM 0 HA HIS A 38 3.098 -1.067 1.415 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.957 -0.953 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.216 -2.518 3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.604 1.116 3.449 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.656 -0.803 7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.686 1.433 5.837 1.00 0.00 H new ATOM 601 N ASN A 39 3.678 -4.077 2.677 1.00 0.00 N ATOM 602 CA ASN A 39 4.774 -4.901 3.186 1.00 0.00 C ATOM 603 C ASN A 39 5.846 -5.045 2.122 1.00 0.00 C ATOM 604 O ASN A 39 7.035 -4.969 2.430 1.00 0.00 O ATOM 605 CB ASN A 39 4.347 -6.318 3.584 1.00 0.00 C ATOM 606 CG ASN A 39 3.048 -6.345 4.343 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.967 -5.983 5.510 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.000 -6.732 3.656 1.00 0.00 N ATOM 0 H ASN A 39 2.779 -4.554 2.610 1.00 0.00 H new ATOM 0 HA ASN A 39 5.136 -4.387 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.251 -6.929 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.129 -6.770 4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.078 -6.738 4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.107 -7.027 2.685 1.00 0.00 H new ATOM 615 N ASP A 40 5.416 -5.265 0.877 1.00 0.00 N ATOM 616 CA ASP A 40 6.272 -5.590 -0.256 1.00 0.00 C ATOM 617 C ASP A 40 7.332 -4.515 -0.513 1.00 0.00 C ATOM 618 O ASP A 40 8.322 -4.818 -1.171 1.00 0.00 O ATOM 619 CB ASP A 40 5.466 -5.738 -1.559 1.00 0.00 C ATOM 620 CG ASP A 40 4.677 -7.024 -1.778 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.266 -7.697 -0.809 1.00 0.00 O ATOM 622 OD2 ASP A 40 4.459 -7.343 -2.974 1.00 0.00 O ATOM 0 H ASP A 40 4.428 -5.219 0.626 1.00 0.00 H new ATOM 0 HA ASP A 40 6.749 -6.533 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.765 -4.905 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.159 -5.627 -2.393 1.00 0.00 H new ATOM 627 N ILE A 41 7.175 -3.280 -0.013 1.00 0.00 N ATOM 628 CA ILE A 41 8.119 -2.200 -0.306 1.00 0.00 C ATOM 629 C ILE A 41 9.394 -2.549 0.463 1.00 0.00 C ATOM 630 O ILE A 41 10.506 -2.485 -0.050 1.00 0.00 O ATOM 631 CB ILE A 41 7.519 -0.844 0.155 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.097 -0.590 -0.394 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.409 0.368 -0.168 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.920 -0.842 -1.887 1.00 0.00 C ATOM 0 H ILE A 41 6.403 -3.008 0.595 1.00 0.00 H new ATOM 0 HA ILE A 41 8.329 -2.101 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 41 7.463 -0.944 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.397 -1.224 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.823 0.443 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.925 1.279 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.373 0.254 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.561 0.431 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.888 -0.635 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.589 -0.189 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.156 -1.882 -2.111 1.00 0.00 H new ATOM 646 N LEU A 42 9.206 -2.966 1.712 1.00 0.00 N ATOM 647 CA LEU A 42 10.247 -3.365 2.624 1.00 0.00 C ATOM 648 C LEU A 42 10.847 -4.710 2.231 1.00 0.00 C ATOM 649 O LEU A 42 12.002 -4.977 2.558 1.00 0.00 O ATOM 650 CB LEU A 42 9.627 -3.473 4.018 1.00 0.00 C ATOM 651 CG LEU A 42 8.887 -2.237 4.560 1.00 0.00 C ATOM 652 CD1 LEU A 42 9.705 -0.963 4.433 1.00 0.00 C ATOM 653 CD2 LEU A 42 7.451 -1.980 4.131 1.00 0.00 C ATOM 0 H LEU A 42 8.276 -3.034 2.125 1.00 0.00 H new ATOM 0 HA LEU A 42 11.049 -2.627 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.928 -4.309 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.420 -3.726 4.721 1.00 0.00 H new ATOM 0 HG LEU A 42 8.778 -2.534 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.135 -0.123 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.633 -1.069 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.935 -0.781 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.087 -1.069 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.410 -1.865 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.826 -2.821 4.431 1.00 0.00 H new ATOM 665 N LEU A 43 10.074 -5.573 1.562 1.00 0.00 N ATOM 666 CA LEU A 43 10.543 -6.903 1.178 1.00 0.00 C ATOM 667 C LEU A 43 11.225 -6.854 -0.195 1.00 0.00 C ATOM 668 O LEU A 43 11.688 -7.889 -0.689 1.00 0.00 O ATOM 669 CB LEU A 43 9.404 -7.944 1.167 1.00 0.00 C ATOM 670 CG LEU A 43 8.439 -8.011 2.373 1.00 0.00 C ATOM 671 CD1 LEU A 43 7.824 -9.410 2.459 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.048 -7.637 3.734 1.00 0.00 C ATOM 0 H LEU A 43 9.116 -5.370 1.276 1.00 0.00 H new ATOM 0 HA LEU A 43 11.266 -7.218 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.804 -7.766 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.859 -8.928 1.054 1.00 0.00 H new ATOM 0 HG LEU A 43 7.686 -7.248 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.144 -9.457 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.274 -9.623 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.616 -10.148 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.285 -7.718 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.871 -8.314 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.420 -6.613 3.697 1.00 0.00 H new ATOM 684 N ALA A 44 11.236 -5.692 -0.854 1.00 0.00 N ATOM 685 CA ALA A 44 11.828 -5.524 -2.168 1.00 0.00 C ATOM 686 C ALA A 44 13.352 -5.610 -2.079 1.00 0.00 C ATOM 687 O ALA A 44 13.954 -5.379 -1.028 1.00 0.00 O ATOM 688 CB ALA A 44 11.409 -4.188 -2.773 1.00 0.00 C ATOM 0 H ALA A 44 10.827 -4.836 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 44 11.470 -6.326 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.861 -4.077 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.323 -4.155 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.742 -3.376 -2.127 1.00 0.00 H new ATOM 694 N LYS A 45 13.983 -5.908 -3.212 1.00 0.00 N ATOM 695 CA LYS A 45 15.419 -6.153 -3.321 1.00 0.00 C ATOM 696 C LYS A 45 16.225 -4.884 -3.062 1.00 0.00 C ATOM 697 O LYS A 45 17.260 -4.935 -2.393 1.00 0.00 O ATOM 698 CB LYS A 45 15.703 -6.694 -4.729 1.00 0.00 C ATOM 699 CG LYS A 45 15.059 -8.072 -4.953 1.00 0.00 C ATOM 700 CD LYS A 45 15.983 -9.230 -4.573 1.00 0.00 C ATOM 701 CE LYS A 45 16.744 -9.685 -5.824 1.00 0.00 C ATOM 702 NZ LYS A 45 16.286 -11.019 -6.252 1.00 0.00 N ATOM 0 H LYS A 45 13.496 -5.988 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 45 15.721 -6.879 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.325 -5.991 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.780 -6.768 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.142 -8.138 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.776 -8.169 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.683 -8.916 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.403 -10.057 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.593 -8.967 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.814 -9.711 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.812 -11.311 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.453 -11.705 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.270 -10.984 -6.470 1.00 0.00 H new ATOM 716 N ASP A 46 15.756 -3.747 -3.570 1.00 0.00 N ATOM 717 CA ASP A 46 16.461 -2.469 -3.533 1.00 0.00 C ATOM 718 C ASP A 46 15.435 -1.373 -3.346 1.00 0.00 C ATOM 719 O ASP A 46 14.228 -1.614 -3.375 1.00 0.00 O ATOM 720 CB ASP A 46 17.207 -2.157 -4.844 1.00 0.00 C ATOM 721 CG ASP A 46 18.237 -3.220 -5.224 1.00 0.00 C ATOM 722 OD1 ASP A 46 17.871 -4.353 -5.589 1.00 0.00 O ATOM 723 OD2 ASP A 46 19.443 -2.952 -5.010 1.00 0.00 O ATOM 0 H ASP A 46 14.849 -3.688 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 46 17.189 -2.525 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.482 -2.059 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.708 -1.194 -4.748 1.00 0.00 H new ATOM 728 N THR A 47 15.915 -0.142 -3.226 1.00 0.00 N ATOM 729 CA THR A 47 15.096 1.043 -3.231 1.00 0.00 C ATOM 730 C THR A 47 14.222 1.129 -4.484 1.00 0.00 C ATOM 731 O THR A 47 13.008 1.272 -4.360 1.00 0.00 O ATOM 732 CB THR A 47 16.010 2.268 -3.148 1.00 0.00 C ATOM 733 OG1 THR A 47 17.027 2.112 -2.180 1.00 0.00 O ATOM 734 CG2 THR A 47 15.100 3.451 -2.860 1.00 0.00 C ATOM 0 H THR A 47 16.910 0.055 -3.120 1.00 0.00 H new ATOM 0 HA THR A 47 14.425 1.005 -2.372 1.00 0.00 H new ATOM 0 HB THR A 47 16.552 2.419 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.587 2.916 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.697 4.360 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.374 3.556 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.576 3.286 -1.918 1.00 0.00 H new ATOM 742 N THR A 48 14.835 1.099 -5.674 1.00 0.00 N ATOM 743 CA THR A 48 14.156 1.422 -6.924 1.00 0.00 C ATOM 744 C THR A 48 12.926 0.519 -7.066 1.00 0.00 C ATOM 745 O THR A 48 11.808 0.990 -7.264 1.00 0.00 O ATOM 746 CB THR A 48 15.171 1.387 -8.099 1.00 0.00 C ATOM 747 OG1 THR A 48 14.678 1.951 -9.296 1.00 0.00 O ATOM 748 CG2 THR A 48 15.675 -0.018 -8.445 1.00 0.00 C ATOM 0 H THR A 48 15.817 0.849 -5.792 1.00 0.00 H new ATOM 0 HA THR A 48 13.769 2.441 -6.933 1.00 0.00 H new ATOM 0 HB THR A 48 15.992 1.990 -7.713 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.367 1.897 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.379 0.042 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.173 -0.450 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.832 -0.647 -8.730 1.00 0.00 H new ATOM 756 N GLU A 49 13.121 -0.777 -6.825 1.00 0.00 N ATOM 757 CA GLU A 49 12.089 -1.779 -7.052 1.00 0.00 C ATOM 758 C GLU A 49 11.028 -1.732 -5.950 1.00 0.00 C ATOM 759 O GLU A 49 9.875 -2.082 -6.187 1.00 0.00 O ATOM 760 CB GLU A 49 12.740 -3.163 -7.148 1.00 0.00 C ATOM 761 CG GLU A 49 11.801 -4.208 -7.761 1.00 0.00 C ATOM 762 CD GLU A 49 11.370 -3.843 -9.185 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.250 -3.706 -10.057 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.150 -3.740 -9.463 1.00 0.00 O ATOM 0 H GLU A 49 13.997 -1.158 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 49 11.580 -1.566 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.646 -3.095 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.043 -3.489 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.299 -5.178 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.917 -4.311 -7.132 1.00 0.00 H new ATOM 771 N ALA A 50 11.397 -1.259 -4.754 1.00 0.00 N ATOM 772 CA ALA A 50 10.453 -1.021 -3.681 1.00 0.00 C ATOM 773 C ALA A 50 9.410 -0.018 -4.151 1.00 0.00 C ATOM 774 O ALA A 50 8.219 -0.316 -4.172 1.00 0.00 O ATOM 775 CB ALA A 50 11.181 -0.522 -2.427 1.00 0.00 C ATOM 0 H ALA A 50 12.362 -1.033 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 50 9.952 -1.953 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.457 -0.348 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.903 -1.271 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.701 0.409 -2.654 1.00 0.00 H new ATOM 781 N PHE A 51 9.836 1.193 -4.500 1.00 0.00 N ATOM 782 CA PHE A 51 8.879 2.249 -4.780 1.00 0.00 C ATOM 783 C PHE A 51 8.278 2.119 -6.185 1.00 0.00 C ATOM 784 O PHE A 51 7.166 2.604 -6.396 1.00 0.00 O ATOM 785 CB PHE A 51 9.455 3.628 -4.437 1.00 0.00 C ATOM 786 CG PHE A 51 10.075 4.330 -5.607 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.328 3.916 -6.065 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.343 5.301 -6.307 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.820 4.419 -7.271 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.833 5.800 -7.524 1.00 0.00 C ATOM 791 CZ PHE A 51 11.063 5.336 -8.018 1.00 0.00 C ATOM 0 H PHE A 51 10.816 1.460 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 51 8.023 2.133 -4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.660 4.253 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.205 3.514 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.912 3.212 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.406 5.663 -5.911 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.787 4.101 -7.631 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.268 6.536 -8.077 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.427 5.685 -8.973 1.00 0.00 H new ATOM 801 N GLU A 52 8.906 1.370 -7.101 1.00 0.00 N ATOM 802 CA GLU A 52 8.284 1.000 -8.372 1.00 0.00 C ATOM 803 C GLU A 52 6.887 0.420 -8.136 1.00 0.00 C ATOM 804 O GLU A 52 5.922 0.843 -8.779 1.00 0.00 O ATOM 805 CB GLU A 52 9.142 -0.026 -9.138 1.00 0.00 C ATOM 806 CG GLU A 52 10.199 0.600 -10.064 1.00 0.00 C ATOM 807 CD GLU A 52 10.001 0.123 -11.509 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.165 0.729 -12.219 1.00 0.00 O ATOM 809 OE2 GLU A 52 10.656 -0.866 -11.918 1.00 0.00 O ATOM 0 H GLU A 52 9.852 1.008 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 52 8.205 1.905 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.644 -0.673 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.485 -0.660 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.130 1.687 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.197 0.330 -9.720 1.00 0.00 H new ATOM 816 N LYS A 53 6.739 -0.536 -7.207 1.00 0.00 N ATOM 817 CA LYS A 53 5.420 -1.123 -6.983 1.00 0.00 C ATOM 818 C LYS A 53 4.498 -0.160 -6.225 1.00 0.00 C ATOM 819 O LYS A 53 3.296 -0.173 -6.473 1.00 0.00 O ATOM 820 CB LYS A 53 5.540 -2.532 -6.378 1.00 0.00 C ATOM 821 CG LYS A 53 6.444 -2.615 -5.155 1.00 0.00 C ATOM 822 CD LYS A 53 6.215 -3.907 -4.375 1.00 0.00 C ATOM 823 CE LYS A 53 6.665 -5.169 -5.126 1.00 0.00 C ATOM 824 NZ LYS A 53 5.556 -6.123 -5.344 1.00 0.00 N ATOM 0 H LYS A 53 7.488 -0.905 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 53 4.924 -1.271 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.545 -2.883 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.919 -3.211 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.487 -2.558 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.259 -1.759 -4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.750 -3.849 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.155 -3.995 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.089 -4.883 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.458 -5.661 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.886 -6.908 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.234 -6.496 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.767 -5.637 -5.816 1.00 0.00 H new ATOM 838 N MET A 54 5.010 0.732 -5.371 1.00 0.00 N ATOM 839 CA MET A 54 4.153 1.695 -4.679 1.00 0.00 C ATOM 840 C MET A 54 3.551 2.724 -5.652 1.00 0.00 C ATOM 841 O MET A 54 2.357 3.045 -5.585 1.00 0.00 O ATOM 842 CB MET A 54 4.899 2.334 -3.498 1.00 0.00 C ATOM 843 CG MET A 54 5.589 3.684 -3.744 1.00 0.00 C ATOM 844 SD MET A 54 6.212 4.542 -2.285 1.00 0.00 S ATOM 845 CE MET A 54 7.232 3.257 -1.542 1.00 0.00 C ATOM 0 H MET A 54 6.002 0.806 -5.145 1.00 0.00 H new ATOM 0 HA MET A 54 3.301 1.161 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.189 2.463 -2.681 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.655 1.627 -3.155 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.423 3.522 -4.428 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.883 4.341 -4.252 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.644 3.619 -0.600 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.624 2.372 -1.356 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.046 3.001 -2.220 1.00 0.00 H new ATOM 855 N VAL A 55 4.345 3.230 -6.598 1.00 0.00 N ATOM 856 CA VAL A 55 3.876 4.163 -7.624 1.00 0.00 C ATOM 857 C VAL A 55 2.960 3.437 -8.631 1.00 0.00 C ATOM 858 O VAL A 55 2.283 4.061 -9.451 1.00 0.00 O ATOM 859 CB VAL A 55 5.089 4.882 -8.248 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.671 5.918 -9.298 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.862 5.644 -7.158 1.00 0.00 C ATOM 0 H VAL A 55 5.336 3.003 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 55 3.251 4.944 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 55 5.699 4.110 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.559 6.398 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.122 5.423 -10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.034 6.671 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.718 6.150 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.206 6.381 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.211 4.942 -6.401 1.00 0.00 H new ATOM 871 N SER A 56 2.847 2.119 -8.510 1.00 0.00 N ATOM 872 CA SER A 56 1.924 1.302 -9.263 1.00 0.00 C ATOM 873 C SER A 56 0.581 1.053 -8.543 1.00 0.00 C ATOM 874 O SER A 56 -0.271 0.409 -9.161 1.00 0.00 O ATOM 875 CB SER A 56 2.636 0.001 -9.650 1.00 0.00 C ATOM 876 OG SER A 56 3.837 0.262 -10.362 1.00 0.00 O ATOM 0 H SER A 56 3.419 1.579 -7.861 1.00 0.00 H new ATOM 0 HA SER A 56 1.638 1.846 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.861 -0.574 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.973 -0.610 -10.262 1.00 0.00 H new ATOM 0 HG SER A 56 4.576 0.373 -9.728 1.00 0.00 H new ATOM 882 N LEU A 57 0.290 1.582 -7.331 1.00 0.00 N ATOM 883 CA LEU A 57 -0.986 1.331 -6.648 1.00 0.00 C ATOM 884 C LEU A 57 -1.790 2.609 -6.420 1.00 0.00 C ATOM 885 O LEU A 57 -3.024 2.599 -6.424 1.00 0.00 O ATOM 886 CB LEU A 57 -0.857 0.542 -5.367 1.00 0.00 C ATOM 887 CG LEU A 57 -0.148 1.187 -4.186 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.844 2.329 -3.434 1.00 0.00 C ATOM 889 CD2 LEU A 57 0.032 0.079 -3.169 1.00 0.00 C ATOM 0 H LEU A 57 0.928 2.185 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.542 0.700 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.861 0.270 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.335 -0.386 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 57 0.744 1.645 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.203 2.674 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.036 3.153 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.788 1.972 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.538 0.473 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.944 -0.313 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.631 -0.721 -3.605 1.00 0.00 H new ATOM 901 N LEU A 58 -1.086 3.723 -6.243 1.00 0.00 N ATOM 902 CA LEU A 58 -1.608 4.984 -5.729 1.00 0.00 C ATOM 903 C LEU A 58 -2.446 5.763 -6.730 1.00 0.00 C ATOM 904 O LEU A 58 -2.888 6.860 -6.412 1.00 0.00 O ATOM 905 CB LEU A 58 -0.411 5.805 -5.222 1.00 0.00 C ATOM 906 CG LEU A 58 0.356 6.592 -6.294 1.00 0.00 C ATOM 907 CD1 LEU A 58 1.612 7.218 -5.687 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.717 5.810 -7.545 1.00 0.00 C ATOM 0 H LEU A 58 -0.091 3.773 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.304 4.768 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.768 6.506 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.285 5.130 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.340 7.360 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.149 7.774 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.328 7.895 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.255 6.432 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.256 6.458 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.348 4.963 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.193 5.447 -8.022 1.00 0.00 H new ATOM 920 N SER A 59 -2.649 5.207 -7.920 1.00 0.00 N ATOM 921 CA SER A 59 -3.531 5.714 -8.951 1.00 0.00 C ATOM 922 C SER A 59 -4.664 4.705 -9.200 1.00 0.00 C ATOM 923 O SER A 59 -5.783 5.105 -9.519 1.00 0.00 O ATOM 924 CB SER A 59 -2.693 5.996 -10.201 1.00 0.00 C ATOM 925 OG SER A 59 -3.354 6.853 -11.105 1.00 0.00 O ATOM 0 H SER A 59 -2.176 4.348 -8.200 1.00 0.00 H new ATOM 0 HA SER A 59 -4.007 6.647 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.744 6.444 -9.906 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.460 5.055 -10.700 1.00 0.00 H new ATOM 0 HG SER A 59 -2.783 7.007 -11.887 1.00 0.00 H new ATOM 931 N VAL A 60 -4.420 3.402 -8.992 1.00 0.00 N ATOM 932 CA VAL A 60 -5.406 2.337 -9.173 1.00 0.00 C ATOM 933 C VAL A 60 -6.642 2.636 -8.327 1.00 0.00 C ATOM 934 O VAL A 60 -7.769 2.606 -8.823 1.00 0.00 O ATOM 935 CB VAL A 60 -4.862 0.938 -8.779 1.00 0.00 C ATOM 936 CG1 VAL A 60 -5.637 -0.138 -9.541 1.00 0.00 C ATOM 937 CG2 VAL A 60 -3.379 0.670 -9.016 1.00 0.00 C ATOM 0 H VAL A 60 -3.510 3.057 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.652 2.311 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.999 0.911 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.258 -1.122 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.695 -0.073 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.511 0.014 -10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.137 -0.343 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.155 0.779 -10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.785 1.383 -8.444 1.00 0.00 H new ATOM 947 N LEU A 61 -6.444 2.903 -7.031 1.00 0.00 N ATOM 948 CA LEU A 61 -7.552 2.966 -6.089 1.00 0.00 C ATOM 949 C LEU A 61 -8.300 4.266 -6.301 1.00 0.00 C ATOM 950 O LEU A 61 -9.518 4.315 -6.170 1.00 0.00 O ATOM 951 CB LEU A 61 -7.062 2.913 -4.644 1.00 0.00 C ATOM 952 CG LEU A 61 -6.027 1.815 -4.347 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.807 2.459 -3.722 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.612 0.765 -3.420 1.00 0.00 C ATOM 0 H LEU A 61 -5.528 3.077 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.200 2.107 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.627 3.879 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.922 2.767 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.745 1.316 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.062 1.693 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.386 3.189 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.093 2.959 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.864 -0.003 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.909 1.233 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.484 0.310 -3.890 1.00 0.00 H new ATOM 966 N LEU A 62 -7.572 5.316 -6.680 1.00 0.00 N ATOM 967 CA LEU A 62 -8.159 6.601 -7.018 1.00 0.00 C ATOM 968 C LEU A 62 -9.161 6.439 -8.139 1.00 0.00 C ATOM 969 O LEU A 62 -10.258 6.986 -8.064 1.00 0.00 O ATOM 970 CB LEU A 62 -7.080 7.588 -7.452 1.00 0.00 C ATOM 971 CG LEU A 62 -5.927 7.731 -6.450 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.131 8.989 -6.800 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.372 7.740 -4.981 1.00 0.00 C ATOM 0 H LEU A 62 -6.555 5.294 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.661 6.987 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.676 7.269 -8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.537 8.565 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.299 6.845 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.307 9.105 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.735 8.899 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.783 9.860 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.499 7.844 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.050 8.576 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.884 6.806 -4.750 1.00 0.00 H new ATOM 985 N SER A 63 -8.826 5.601 -9.114 1.00 0.00 N ATOM 986 CA SER A 63 -9.664 5.289 -10.255 1.00 0.00 C ATOM 987 C SER A 63 -10.873 4.433 -9.854 1.00 0.00 C ATOM 988 O SER A 63 -11.587 3.951 -10.733 1.00 0.00 O ATOM 989 CB SER A 63 -8.773 4.628 -11.309 1.00 0.00 C ATOM 990 OG SER A 63 -9.287 4.781 -12.620 1.00 0.00 O ATOM 0 H SER A 63 -7.934 5.107 -9.128 1.00 0.00 H new ATOM 0 HA SER A 63 -10.100 6.195 -10.676 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.774 5.061 -11.260 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.672 3.567 -11.082 1.00 0.00 H new ATOM 0 HG SER A 63 -8.686 4.345 -13.260 1.00 0.00 H new ATOM 996 N MET A 64 -11.124 4.229 -8.553 1.00 0.00 N ATOM 997 CA MET A 64 -12.369 3.685 -8.043 1.00 0.00 C ATOM 998 C MET A 64 -12.992 4.524 -6.911 1.00 0.00 C ATOM 999 O MET A 64 -14.046 4.120 -6.410 1.00 0.00 O ATOM 1000 CB MET A 64 -12.175 2.208 -7.637 1.00 0.00 C ATOM 1001 CG MET A 64 -11.496 1.978 -6.273 1.00 0.00 C ATOM 1002 SD MET A 64 -12.417 0.870 -5.185 1.00 0.00 S ATOM 1003 CE MET A 64 -11.868 1.527 -3.592 1.00 0.00 C ATOM 0 H MET A 64 -10.448 4.445 -7.820 1.00 0.00 H new ATOM 0 HA MET A 64 -13.096 3.732 -8.854 1.00 0.00 H new ATOM 0 HB2 MET A 64 -13.151 1.722 -7.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.582 1.713 -8.406 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.500 1.567 -6.437 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.367 2.939 -5.774 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.931 0.746 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.836 1.869 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.505 2.363 -3.304 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.353 5.610 -6.438 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.775 6.271 -5.197 1.00 0.00 C ATOM 1015 C GLN A 65 -12.464 7.776 -5.068 1.00 0.00 C ATOM 1016 O GLN A 65 -13.153 8.439 -4.304 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.158 5.493 -4.015 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.744 5.975 -3.644 1.00 0.00 C ATOM 1019 CD GLN A 65 -9.924 5.015 -2.795 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -8.730 4.870 -3.004 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.481 4.367 -1.788 1.00 0.00 N ATOM 0 H GLN A 65 -11.550 6.043 -6.894 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.865 6.244 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.808 5.591 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.119 4.433 -4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.196 6.177 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.831 6.921 -3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.477 4.477 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.915 3.757 -1.199 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.421 8.312 -5.713 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.955 9.680 -5.466 1.00 0.00 C ATOM 1032 C GLY A 66 -10.498 9.911 -4.019 1.00 0.00 C ATOM 1033 O GLY A 66 -11.126 10.671 -3.281 1.00 0.00 O ATOM 0 H GLY A 66 -10.879 7.812 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.129 9.903 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.757 10.379 -5.703 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.424 9.235 -3.586 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.883 9.351 -2.229 1.00 0.00 C ATOM 1039 C ALA A 67 -7.884 10.504 -2.085 1.00 0.00 C ATOM 1040 O ALA A 67 -7.343 10.977 -3.086 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.206 8.037 -1.822 1.00 0.00 C ATOM 0 H ALA A 67 -8.903 8.586 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.725 9.565 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.806 8.131 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.936 7.228 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.394 7.816 -2.515 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.581 10.906 -0.842 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.682 12.046 -0.589 1.00 0.00 C ATOM 1049 C VAL A 68 -5.239 11.614 -0.303 1.00 0.00 C ATOM 1050 O VAL A 68 -4.409 11.641 -1.206 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.234 12.936 0.535 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -8.282 13.912 0.000 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.857 12.074 1.638 1.00 0.00 C ATOM 0 H VAL A 68 -7.943 10.462 0.002 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.647 12.632 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.402 13.508 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.655 14.529 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.831 14.550 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.108 13.354 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.244 12.718 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.671 11.482 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.099 11.408 2.051 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.947 11.229 0.946 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.659 11.049 1.623 1.00 0.00 C ATOM 1065 C ASP A 69 -2.822 9.900 1.031 1.00 0.00 C ATOM 1066 O ASP A 69 -1.906 9.405 1.675 1.00 0.00 O ATOM 1067 CB ASP A 69 -3.889 10.989 3.162 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.009 12.383 3.790 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.964 13.107 3.427 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -3.217 12.759 4.683 1.00 0.00 O ATOM 0 H ASP A 69 -5.709 11.008 1.587 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.026 11.917 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.796 10.421 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.063 10.453 3.629 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.087 9.461 -0.204 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.474 8.281 -0.802 1.00 0.00 C ATOM 1077 C ILE A 70 -0.966 8.466 -0.981 1.00 0.00 C ATOM 1078 O ILE A 70 -0.219 7.491 -0.963 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.223 7.890 -2.105 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -3.096 6.401 -2.484 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.766 8.716 -3.322 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.726 5.428 -1.482 1.00 0.00 C ATOM 0 H ILE A 70 -3.748 9.929 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.577 7.436 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.265 8.105 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.559 6.248 -3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.039 6.157 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.322 8.401 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.952 9.774 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.700 8.559 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.588 4.405 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.248 5.547 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.791 5.639 -1.390 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.509 9.709 -1.137 1.00 0.00 N ATOM 1095 CA ASN A 71 0.906 10.048 -1.243 1.00 0.00 C ATOM 1096 C ASN A 71 1.632 9.998 0.099 1.00 0.00 C ATOM 1097 O ASN A 71 2.854 9.941 0.111 1.00 0.00 O ATOM 1098 CB ASN A 71 1.046 11.446 -1.867 1.00 0.00 C ATOM 1099 CG ASN A 71 1.008 11.460 -3.396 1.00 0.00 C ATOM 1100 OD1 ASN A 71 0.564 10.385 -4.029 1.00 0.00 O flip ATOM 1101 ND2 ASN A 71 1.289 12.474 -4.028 1.00 0.00 N flip ATOM 0 H ASN A 71 -1.124 10.521 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 71 1.376 9.298 -1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.245 12.081 -1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.986 11.887 -1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.631 13.301 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.181 12.489 -5.042 1.00 0.00 H new ATOM 1108 N ARG A 72 0.923 10.008 1.230 1.00 0.00 N ATOM 1109 CA ARG A 72 1.564 10.098 2.543 1.00 0.00 C ATOM 1110 C ARG A 72 2.380 8.846 2.806 1.00 0.00 C ATOM 1111 O ARG A 72 3.562 8.921 3.123 1.00 0.00 O ATOM 1112 CB ARG A 72 0.511 10.291 3.637 1.00 0.00 C ATOM 1113 CG ARG A 72 0.019 11.717 3.827 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.333 12.490 2.559 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.152 13.655 2.901 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.744 14.502 2.064 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -1.479 14.442 0.763 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -2.624 15.370 2.542 1.00 0.00 N ATOM 0 H ARG A 72 -0.095 9.955 1.263 1.00 0.00 H new ATOM 0 HA ARG A 72 2.231 10.960 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.346 9.657 3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.925 9.939 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.863 11.691 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.786 12.274 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.577 12.810 2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.873 11.845 1.866 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.283 13.838 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.822 13.747 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.932 15.091 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.839 15.382 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.087 16.026 1.913 1.00 0.00 H new ATOM 1132 N LEU A 73 1.751 7.682 2.629 1.00 0.00 N ATOM 1133 CA LEU A 73 2.434 6.407 2.790 1.00 0.00 C ATOM 1134 C LEU A 73 3.614 6.278 1.826 1.00 0.00 C ATOM 1135 O LEU A 73 4.563 5.566 2.150 1.00 0.00 O ATOM 1136 CB LEU A 73 1.496 5.190 2.674 1.00 0.00 C ATOM 1137 CG LEU A 73 0.618 5.140 1.405 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.373 3.700 0.923 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -0.731 5.831 1.652 1.00 0.00 C ATOM 0 H LEU A 73 0.767 7.602 2.373 1.00 0.00 H new ATOM 0 HA LEU A 73 2.817 6.405 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.100 4.284 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.843 5.173 3.546 1.00 0.00 H new ATOM 0 HG LEU A 73 1.165 5.669 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.249 3.717 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.327 3.226 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.133 3.135 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.335 5.785 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.255 5.326 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.562 6.873 1.923 1.00 0.00 H new ATOM 1151 N CYS A 74 3.599 6.954 0.670 1.00 0.00 N ATOM 1152 CA CYS A 74 4.710 6.918 -0.272 1.00 0.00 C ATOM 1153 C CYS A 74 5.986 7.530 0.310 1.00 0.00 C ATOM 1154 O CYS A 74 7.074 7.255 -0.193 1.00 0.00 O ATOM 1155 CB CYS A 74 4.359 7.640 -1.579 1.00 0.00 C ATOM 1156 SG CYS A 74 2.787 7.043 -2.257 1.00 0.00 S ATOM 0 H CYS A 74 2.818 7.536 0.368 1.00 0.00 H new ATOM 0 HA CYS A 74 4.895 5.864 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.296 8.713 -1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.155 7.485 -2.308 1.00 0.00 H new ATOM 0 HG CYS A 74 1.831 7.276 -1.407 1.00 0.00 H new ATOM 1162 N GLU A 75 5.860 8.330 1.363 1.00 0.00 N ATOM 1163 CA GLU A 75 6.925 9.042 2.053 1.00 0.00 C ATOM 1164 C GLU A 75 7.083 8.435 3.463 1.00 0.00 C ATOM 1165 O GLU A 75 7.633 9.051 4.376 1.00 0.00 O ATOM 1166 CB GLU A 75 6.575 10.548 2.046 1.00 0.00 C ATOM 1167 CG GLU A 75 6.349 11.096 0.617 1.00 0.00 C ATOM 1168 CD GLU A 75 5.944 12.576 0.546 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.431 13.156 1.533 1.00 0.00 O ATOM 1170 OE2 GLU A 75 6.114 13.191 -0.533 1.00 0.00 O ATOM 0 H GLU A 75 4.948 8.509 1.784 1.00 0.00 H new ATOM 0 HA GLU A 75 7.892 8.939 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.677 10.712 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.380 11.107 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.265 10.957 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.575 10.500 0.133 1.00 0.00 H new ATOM 1177 N GLU A 76 6.584 7.206 3.658 1.00 0.00 N ATOM 1178 CA GLU A 76 6.678 6.449 4.893 1.00 0.00 C ATOM 1179 C GLU A 76 7.333 5.096 4.613 1.00 0.00 C ATOM 1180 O GLU A 76 8.440 4.827 5.075 1.00 0.00 O ATOM 1181 CB GLU A 76 5.279 6.307 5.502 1.00 0.00 C ATOM 1182 CG GLU A 76 5.312 5.462 6.774 1.00 0.00 C ATOM 1183 CD GLU A 76 3.958 5.464 7.472 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.068 4.697 7.035 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.852 6.153 8.511 1.00 0.00 O ATOM 0 H GLU A 76 6.086 6.701 2.925 1.00 0.00 H new ATOM 0 HA GLU A 76 7.304 6.969 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.877 7.294 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.608 5.849 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.595 4.439 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.074 5.849 7.451 1.00 0.00 H new ATOM 1192 N MET A 77 6.671 4.208 3.871 1.00 0.00 N ATOM 1193 CA MET A 77 7.150 2.835 3.683 1.00 0.00 C ATOM 1194 C MET A 77 8.458 2.780 2.884 1.00 0.00 C ATOM 1195 O MET A 77 9.244 1.859 3.078 1.00 0.00 O ATOM 1196 CB MET A 77 6.037 1.962 3.091 1.00 0.00 C ATOM 1197 CG MET A 77 5.555 2.460 1.730 1.00 0.00 C ATOM 1198 SD MET A 77 3.914 1.880 1.248 1.00 0.00 S ATOM 1199 CE MET A 77 3.658 3.024 -0.124 1.00 0.00 C ATOM 0 H MET A 77 5.797 4.415 3.387 1.00 0.00 H new ATOM 0 HA MET A 77 7.400 2.420 4.659 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.399 0.939 2.991 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.195 1.936 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.552 3.550 1.738 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.272 2.149 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.979 2.576 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.227 3.952 0.252 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.613 3.236 -0.604 1.00 0.00 H new ATOM 1209 N LEU A 78 8.739 3.782 2.048 1.00 0.00 N ATOM 1210 CA LEU A 78 10.025 3.962 1.389 1.00 0.00 C ATOM 1211 C LEU A 78 11.115 4.291 2.408 1.00 0.00 C ATOM 1212 O LEU A 78 12.256 3.877 2.230 1.00 0.00 O ATOM 1213 CB LEU A 78 9.892 5.144 0.403 1.00 0.00 C ATOM 1214 CG LEU A 78 10.318 4.856 -1.041 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.957 6.071 -1.889 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.801 4.581 -1.197 1.00 0.00 C ATOM 0 H LEU A 78 8.060 4.505 1.808 1.00 0.00 H new ATOM 0 HA LEU A 78 10.300 3.042 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.853 5.473 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.488 5.976 0.779 1.00 0.00 H new ATOM 0 HG LEU A 78 9.797 3.953 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.250 5.893 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.882 6.242 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.481 6.948 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.027 4.386 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.369 5.447 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.075 3.712 -0.599 1.00 0.00 H new ATOM 1228 N ASP A 79 10.779 5.021 3.471 1.00 0.00 N ATOM 1229 CA ASP A 79 11.753 5.441 4.470 1.00 0.00 C ATOM 1230 C ASP A 79 12.092 4.300 5.411 1.00 0.00 C ATOM 1231 O ASP A 79 13.239 4.104 5.794 1.00 0.00 O ATOM 1232 CB ASP A 79 11.227 6.608 5.300 1.00 0.00 C ATOM 1233 CG ASP A 79 12.433 7.386 5.841 1.00 0.00 C ATOM 1234 OD1 ASP A 79 13.137 8.040 5.037 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.708 7.297 7.062 1.00 0.00 O ATOM 0 H ASP A 79 9.827 5.335 3.661 1.00 0.00 H new ATOM 0 HA ASP A 79 12.646 5.752 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.598 7.256 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.609 6.244 6.121 1.00 0.00 H new ATOM 1240 N ASN A 80 11.087 3.485 5.732 1.00 0.00 N ATOM 1241 CA ASN A 80 11.274 2.338 6.614 1.00 0.00 C ATOM 1242 C ASN A 80 12.171 1.283 5.979 1.00 0.00 C ATOM 1243 O ASN A 80 12.658 0.419 6.701 1.00 0.00 O ATOM 1244 CB ASN A 80 9.953 1.675 6.989 1.00 0.00 C ATOM 1245 CG ASN A 80 9.150 2.503 7.971 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.281 2.362 9.182 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.344 3.421 7.464 1.00 0.00 N ATOM 0 H ASN A 80 10.132 3.601 5.392 1.00 0.00 H new ATOM 0 HA ASN A 80 11.745 2.734 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.363 1.512 6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.152 0.694 7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.813 4.032 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.253 3.518 6.453 1.00 0.00 H new ATOM 1254 N ARG A 81 12.388 1.323 4.660 1.00 0.00 N ATOM 1255 CA ARG A 81 13.411 0.520 3.996 1.00 0.00 C ATOM 1256 C ARG A 81 14.722 1.277 3.842 1.00 0.00 C ATOM 1257 O ARG A 81 15.796 0.694 3.964 1.00 0.00 O ATOM 1258 CB ARG A 81 12.870 -0.114 2.718 1.00 0.00 C ATOM 1259 CG ARG A 81 12.154 0.679 1.624 1.00 0.00 C ATOM 1260 CD ARG A 81 13.024 0.943 0.414 1.00 0.00 C ATOM 1261 NE ARG A 81 13.903 2.094 0.628 1.00 0.00 N ATOM 1262 CZ ARG A 81 15.218 2.114 0.422 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.909 0.989 0.259 1.00 0.00 N ATOM 1264 NH2 ARG A 81 15.830 3.286 0.363 1.00 0.00 N ATOM 0 H ARG A 81 11.855 1.916 4.024 1.00 0.00 H new ATOM 0 HA ARG A 81 13.669 -0.321 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.715 -0.607 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.180 -0.898 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.264 0.133 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.816 1.630 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.625 0.060 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.394 1.122 -0.457 1.00 0.00 H new ATOM 0 HE ARG A 81 13.471 2.955 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.432 0.088 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.916 1.027 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.295 4.147 0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.837 3.328 0.206 1.00 0.00 H new ATOM 1278 N ALA A 82 14.640 2.592 3.674 1.00 0.00 N ATOM 1279 CA ALA A 82 15.777 3.496 3.603 1.00 0.00 C ATOM 1280 C ALA A 82 16.622 3.499 4.874 1.00 0.00 C ATOM 1281 O ALA A 82 17.840 3.602 4.811 1.00 0.00 O ATOM 1282 CB ALA A 82 15.243 4.903 3.344 1.00 0.00 C ATOM 0 H ALA A 82 13.746 3.073 3.580 1.00 0.00 H new ATOM 0 HA ALA A 82 16.429 3.155 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.076 5.603 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.692 4.916 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.579 5.196 4.157 1.00 0.00 H new ATOM 1288 N THR A 83 15.978 3.385 6.030 1.00 0.00 N ATOM 1289 CA THR A 83 16.615 3.548 7.332 1.00 0.00 C ATOM 1290 C THR A 83 17.650 2.440 7.568 1.00 0.00 C ATOM 1291 O THR A 83 18.600 2.630 8.318 1.00 0.00 O ATOM 1292 CB THR A 83 15.514 3.726 8.399 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.952 4.146 9.676 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.734 2.447 8.655 1.00 0.00 C ATOM 0 H THR A 83 14.982 3.173 6.090 1.00 0.00 H new ATOM 0 HA THR A 83 17.216 4.456 7.392 1.00 0.00 H new ATOM 0 HB THR A 83 14.908 4.511 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.181 4.230 10.275 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.973 2.630 9.414 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.255 2.122 7.732 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.414 1.670 9.004 1.00 0.00 H new