USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 786 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: B 204 CYS SG : rot 176:sc= -0.753 USER MOD Set 1.2: B 207 CYS SG : rot -61:sc= -1.1 USER MOD Set 1.3: B 219 HIS : no HD1:sc= -0.207 X(o=-2.1,f=-2) USER MOD Set 1.4: B 223 CYS SG : rot 87:sc= -0.0301 USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= 1.68 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.989 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 0.907 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.332 (180deg=0.0494) USER MOD Single : A 2 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.44) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.103 (180deg=-0.643) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -34:sc= 0.558 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.23 USER MOD Single : A 25 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0.474 (180deg=0.465) USER MOD Single : A 40 GLN : amide:sc= 0.119 K(o=0.12,f=-0.58) USER MOD Single : A 41 GLN : amide:sc= -4.11! C(o=-4.1!,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 0.459 (180deg=0.225) USER MOD Single : A 49 GLN : amide:sc= 1.06 K(o=1.1,f=-7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 57 SER OG : rot 180:sc= -1.87! USER MOD Single : A 59 TYR OH : rot -72:sc= 0.306 USER MOD Single : A 60 ASN : amide:sc= -1.95! K(o=-1.9!,f=-0.061) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -137:sc= 0.245 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : B 201 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0248) USER MOD Single : B 210 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : B 214 SER OG : rot 180:sc= 0.0017 USER MOD Single : B 215 HIS : no HD1:sc=-0.00744 X(o=-0.0074,f=-0.09) USER MOD Single : B 217 ASN : amide:sc= 0.0753 K(o=0.075,f=-1.7) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N MET A 1 3.813 9.108 -0.255 1.00 0.00 N ATOM 40 CA MET A 1 4.721 10.215 -0.632 1.00 0.00 C ATOM 41 C MET A 1 5.518 10.668 0.611 1.00 0.00 C ATOM 42 O MET A 1 5.476 9.997 1.639 1.00 0.00 O ATOM 43 CB MET A 1 3.887 11.392 -1.208 1.00 0.00 C ATOM 44 CG MET A 1 2.866 10.985 -2.278 1.00 0.00 C ATOM 45 SD MET A 1 3.615 10.096 -3.655 1.00 0.00 S ATOM 46 CE MET A 1 2.173 9.701 -4.642 1.00 0.00 C ATOM 0 H1 MET A 1 3.415 8.678 -1.114 1.00 0.00 H new ATOM 0 H2 MET A 1 4.344 8.390 0.278 1.00 0.00 H new ATOM 0 H3 MET A 1 3.042 9.478 0.336 1.00 0.00 H new ATOM 0 HA MET A 1 5.423 9.879 -1.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.360 11.882 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.568 12.128 -1.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.098 10.360 -1.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.367 11.877 -2.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.480 9.149 -5.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.486 9.091 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.674 10.622 -4.942 1.00 0.00 H new ATOM 56 N GLN A 2 6.249 11.794 0.519 1.00 0.00 N ATOM 57 CA GLN A 2 6.929 12.408 1.683 1.00 0.00 C ATOM 58 C GLN A 2 6.429 13.832 1.934 1.00 0.00 C ATOM 59 O GLN A 2 5.973 14.502 1.014 1.00 0.00 O ATOM 60 CB GLN A 2 8.472 12.372 1.517 1.00 0.00 C ATOM 61 CG GLN A 2 9.100 10.990 1.805 1.00 0.00 C ATOM 62 CD GLN A 2 10.607 10.914 1.553 1.00 0.00 C ATOM 63 OE1 GLN A 2 11.147 11.618 0.696 1.00 0.00 O ATOM 64 NE2 GLN A 2 11.298 10.054 2.291 1.00 0.00 N ATOM 0 H GLN A 2 6.387 12.303 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 2 6.678 11.814 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.725 12.671 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.917 13.109 2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.904 10.725 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.603 10.243 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.822 9.486 2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.305 9.961 2.157 1.00 0.00 H new ATOM 73 N ILE A 3 6.495 14.244 3.219 1.00 0.00 N ATOM 74 CA ILE A 3 6.112 15.595 3.707 1.00 0.00 C ATOM 75 C ILE A 3 7.103 16.055 4.794 1.00 0.00 C ATOM 76 O ILE A 3 7.777 15.224 5.424 1.00 0.00 O ATOM 77 CB ILE A 3 4.632 15.679 4.293 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.350 14.578 5.381 1.00 0.00 C ATOM 79 CG2 ILE A 3 3.576 15.634 3.167 1.00 0.00 C ATOM 80 CD1 ILE A 3 4.147 13.166 4.846 1.00 0.00 C ATOM 0 H ILE A 3 6.824 13.634 3.967 1.00 0.00 H new ATOM 0 HA ILE A 3 6.145 16.248 2.835 1.00 0.00 H new ATOM 0 HB ILE A 3 4.551 16.644 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.182 14.565 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.462 14.866 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.578 15.693 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.728 16.476 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.675 14.701 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.960 12.486 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.294 13.153 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.042 12.848 4.311 1.00 0.00 H new ATOM 92 N PHE A 4 7.150 17.383 5.017 1.00 0.00 N ATOM 93 CA PHE A 4 8.078 18.028 5.962 1.00 0.00 C ATOM 94 C PHE A 4 7.306 18.508 7.198 1.00 0.00 C ATOM 95 O PHE A 4 6.511 19.439 7.116 1.00 0.00 O ATOM 96 CB PHE A 4 8.793 19.235 5.285 1.00 0.00 C ATOM 97 CG PHE A 4 9.626 18.869 4.060 1.00 0.00 C ATOM 98 CD1 PHE A 4 9.045 18.791 2.795 1.00 0.00 C ATOM 99 CD2 PHE A 4 10.984 18.586 4.177 1.00 0.00 C ATOM 100 CE1 PHE A 4 9.799 18.457 1.688 1.00 0.00 C ATOM 101 CE2 PHE A 4 11.736 18.255 3.069 1.00 0.00 C ATOM 102 CZ PHE A 4 11.143 18.183 1.828 1.00 0.00 C ATOM 0 H PHE A 4 6.537 18.044 4.540 1.00 0.00 H new ATOM 0 HA PHE A 4 8.832 17.301 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.042 19.969 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.440 19.716 6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.991 18.995 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.455 18.626 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.337 18.410 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.791 18.052 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.731 17.912 0.964 1.00 0.00 H new ATOM 112 N VAL A 5 7.529 17.849 8.335 1.00 0.00 N ATOM 113 CA VAL A 5 7.008 18.288 9.637 1.00 0.00 C ATOM 114 C VAL A 5 8.157 18.970 10.393 1.00 0.00 C ATOM 115 O VAL A 5 9.139 18.326 10.758 1.00 0.00 O ATOM 116 CB VAL A 5 6.390 17.077 10.444 1.00 0.00 C ATOM 117 CG1 VAL A 5 6.230 17.389 11.938 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.022 16.670 9.842 1.00 0.00 C ATOM 0 H VAL A 5 8.078 16.991 8.383 1.00 0.00 H new ATOM 0 HA VAL A 5 6.192 18.999 9.503 1.00 0.00 H new ATOM 0 HB VAL A 5 7.091 16.247 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.802 16.525 12.446 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.205 17.617 12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.569 18.247 12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.609 15.835 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.337 17.516 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.156 16.372 8.802 1.00 0.00 H new ATOM 128 N LYS A 6 8.035 20.286 10.571 1.00 0.00 N ATOM 129 CA LYS A 6 9.106 21.133 11.100 1.00 0.00 C ATOM 130 C LYS A 6 8.732 21.638 12.501 1.00 0.00 C ATOM 131 O LYS A 6 7.750 22.376 12.639 1.00 0.00 O ATOM 132 CB LYS A 6 9.301 22.346 10.147 1.00 0.00 C ATOM 133 CG LYS A 6 10.644 23.094 10.307 1.00 0.00 C ATOM 134 CD LYS A 6 11.770 22.434 9.492 1.00 0.00 C ATOM 135 CE LYS A 6 13.108 23.171 9.619 1.00 0.00 C ATOM 136 NZ LYS A 6 14.061 22.767 8.558 1.00 0.00 N ATOM 0 H LYS A 6 7.182 20.799 10.350 1.00 0.00 H new ATOM 0 HA LYS A 6 10.029 20.557 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.217 21.997 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.487 23.052 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.523 24.129 9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.924 23.116 11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.896 21.403 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.479 22.398 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.937 24.246 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.544 22.967 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.986 23.208 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.165 21.732 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.702 23.077 7.632 1.00 0.00 H new ATOM 150 N THR A 7 9.514 21.259 13.525 1.00 0.00 N ATOM 151 CA THR A 7 9.267 21.696 14.906 1.00 0.00 C ATOM 152 C THR A 7 9.553 23.197 15.088 1.00 0.00 C ATOM 153 O THR A 7 10.277 23.816 14.288 1.00 0.00 O ATOM 154 CB THR A 7 10.116 20.887 15.937 1.00 0.00 C ATOM 155 OG1 THR A 7 11.507 21.087 15.683 1.00 0.00 O ATOM 156 CG2 THR A 7 9.799 19.390 15.893 1.00 0.00 C ATOM 0 H THR A 7 10.325 20.649 13.420 1.00 0.00 H new ATOM 0 HA THR A 7 8.210 21.508 15.096 1.00 0.00 H new ATOM 0 HB THR A 7 9.860 21.254 16.931 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.936 21.454 16.484 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.412 18.866 16.626 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.745 19.234 16.124 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.013 19.002 14.897 1.00 0.00 H new ATOM 164 N LEU A 8 8.997 23.755 16.171 1.00 0.00 N ATOM 165 CA LEU A 8 9.227 25.153 16.576 1.00 0.00 C ATOM 166 C LEU A 8 10.691 25.394 17.004 1.00 0.00 C ATOM 167 O LEU A 8 11.129 26.537 17.092 1.00 0.00 O ATOM 168 CB LEU A 8 8.283 25.513 17.741 1.00 0.00 C ATOM 169 CG LEU A 8 6.757 25.380 17.468 1.00 0.00 C ATOM 170 CD1 LEU A 8 5.953 25.678 18.745 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.309 26.282 16.294 1.00 0.00 C ATOM 0 H LEU A 8 8.371 23.248 16.797 1.00 0.00 H new ATOM 0 HA LEU A 8 9.023 25.789 15.715 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.534 24.878 18.591 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.487 26.541 18.040 1.00 0.00 H new ATOM 0 HG LEU A 8 6.556 24.350 17.173 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.888 25.580 18.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.235 24.972 19.526 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.165 26.693 19.080 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.238 26.163 16.132 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.527 27.323 16.532 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.847 25.996 15.390 1.00 0.00 H new ATOM 183 N THR A 9 11.425 24.307 17.302 1.00 0.00 N ATOM 184 CA THR A 9 12.851 24.376 17.653 1.00 0.00 C ATOM 185 C THR A 9 13.726 24.428 16.379 1.00 0.00 C ATOM 186 O THR A 9 14.827 24.980 16.401 1.00 0.00 O ATOM 187 CB THR A 9 13.250 23.159 18.542 1.00 0.00 C ATOM 188 OG1 THR A 9 12.942 21.944 17.850 1.00 0.00 O ATOM 189 CG2 THR A 9 12.516 23.171 19.898 1.00 0.00 C ATOM 0 H THR A 9 11.046 23.360 17.306 1.00 0.00 H new ATOM 0 HA THR A 9 13.022 25.291 18.220 1.00 0.00 H new ATOM 0 HB THR A 9 14.320 23.227 18.739 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.194 21.178 18.407 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.823 22.306 20.486 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.765 24.084 20.439 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.440 23.131 19.730 1.00 0.00 H new ATOM 197 N GLY A 10 13.209 23.862 15.264 1.00 0.00 N ATOM 198 CA GLY A 10 13.892 23.917 13.959 1.00 0.00 C ATOM 199 C GLY A 10 14.318 22.556 13.421 1.00 0.00 C ATOM 200 O GLY A 10 15.060 22.484 12.431 1.00 0.00 O ATOM 0 H GLY A 10 12.320 23.362 15.246 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.230 24.391 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.773 24.552 14.049 1.00 0.00 H new ATOM 204 N LYS A 11 13.861 21.474 14.072 1.00 0.00 N ATOM 205 CA LYS A 11 14.108 20.090 13.611 1.00 0.00 C ATOM 206 C LYS A 11 13.162 19.767 12.438 1.00 0.00 C ATOM 207 O LYS A 11 12.041 20.282 12.383 1.00 0.00 O ATOM 208 CB LYS A 11 13.945 19.063 14.804 1.00 0.00 C ATOM 209 CG LYS A 11 12.995 17.858 14.550 1.00 0.00 C ATOM 210 CD LYS A 11 12.892 16.850 15.722 1.00 0.00 C ATOM 211 CE LYS A 11 13.938 15.725 15.680 1.00 0.00 C ATOM 212 NZ LYS A 11 15.325 16.217 15.858 1.00 0.00 N ATOM 0 H LYS A 11 13.312 21.529 14.930 1.00 0.00 H new ATOM 0 HA LYS A 11 15.135 20.001 13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.931 18.674 15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.583 19.607 15.677 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.998 18.240 14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.336 17.326 13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.995 17.392 16.662 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.897 16.406 15.718 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.713 14.998 16.460 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.863 15.202 14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.943 15.424 16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.662 16.635 14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.344 16.938 16.608 1.00 0.00 H new ATOM 226 N THR A 12 13.630 18.931 11.495 1.00 0.00 N ATOM 227 CA THR A 12 12.799 18.428 10.389 1.00 0.00 C ATOM 228 C THR A 12 12.506 16.939 10.615 1.00 0.00 C ATOM 229 O THR A 12 13.377 16.184 11.064 1.00 0.00 O ATOM 230 CB THR A 12 13.500 18.620 9.006 1.00 0.00 C ATOM 231 OG1 THR A 12 14.040 19.943 8.930 1.00 0.00 O ATOM 232 CG2 THR A 12 12.532 18.381 7.821 1.00 0.00 C ATOM 0 H THR A 12 14.590 18.587 11.478 1.00 0.00 H new ATOM 0 HA THR A 12 11.871 18.999 10.374 1.00 0.00 H new ATOM 0 HB THR A 12 14.296 17.880 8.929 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.734 19.974 8.239 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.065 18.526 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.146 17.363 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.703 19.086 7.881 1.00 0.00 H new ATOM 240 N ILE A 13 11.268 16.539 10.330 1.00 0.00 N ATOM 241 CA ILE A 13 10.819 15.144 10.397 1.00 0.00 C ATOM 242 C ILE A 13 10.132 14.810 9.061 1.00 0.00 C ATOM 243 O ILE A 13 9.037 15.308 8.787 1.00 0.00 O ATOM 244 CB ILE A 13 9.812 14.897 11.599 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.388 15.382 12.986 1.00 0.00 C ATOM 246 CG2 ILE A 13 9.403 13.414 11.676 1.00 0.00 C ATOM 247 CD1 ILE A 13 9.775 16.680 13.486 1.00 0.00 C ATOM 0 H ILE A 13 10.533 17.185 10.041 1.00 0.00 H new ATOM 0 HA ILE A 13 11.681 14.500 10.571 1.00 0.00 H new ATOM 0 HB ILE A 13 8.928 15.500 11.392 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.222 14.603 13.730 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.466 15.512 12.895 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.713 13.270 12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.916 13.122 10.745 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.290 12.799 11.830 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.221 16.948 14.444 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.963 17.474 12.763 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.700 16.550 13.611 1.00 0.00 H new ATOM 259 N THR A 14 10.808 14.016 8.213 1.00 0.00 N ATOM 260 CA THR A 14 10.253 13.581 6.922 1.00 0.00 C ATOM 261 C THR A 14 9.465 12.271 7.116 1.00 0.00 C ATOM 262 O THR A 14 10.028 11.275 7.581 1.00 0.00 O ATOM 263 CB THR A 14 11.382 13.392 5.856 1.00 0.00 C ATOM 264 OG1 THR A 14 12.104 14.627 5.701 1.00 0.00 O ATOM 265 CG2 THR A 14 10.828 12.950 4.489 1.00 0.00 C ATOM 0 H THR A 14 11.746 13.661 8.401 1.00 0.00 H new ATOM 0 HA THR A 14 9.580 14.355 6.553 1.00 0.00 H new ATOM 0 HB THR A 14 12.043 12.603 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.813 14.510 5.035 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.651 12.833 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.305 12.000 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.135 13.704 4.116 1.00 0.00 H new ATOM 273 N LEU A 15 8.160 12.295 6.783 1.00 0.00 N ATOM 274 CA LEU A 15 7.264 11.119 6.910 1.00 0.00 C ATOM 275 C LEU A 15 6.996 10.550 5.526 1.00 0.00 C ATOM 276 O LEU A 15 7.057 11.280 4.541 1.00 0.00 O ATOM 277 CB LEU A 15 5.900 11.468 7.583 1.00 0.00 C ATOM 278 CG LEU A 15 5.957 12.243 8.930 1.00 0.00 C ATOM 279 CD1 LEU A 15 6.981 11.631 9.894 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.227 13.732 8.703 1.00 0.00 C ATOM 0 H LEU A 15 7.694 13.126 6.419 1.00 0.00 H new ATOM 0 HA LEU A 15 7.769 10.394 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.315 12.057 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.356 10.538 7.750 1.00 0.00 H new ATOM 0 HG LEU A 15 4.977 12.151 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.991 12.200 10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.709 10.597 10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.971 11.660 9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.261 14.246 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.182 13.855 8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.431 14.157 8.092 1.00 0.00 H new ATOM 292 N GLU A 16 6.655 9.259 5.475 1.00 0.00 N ATOM 293 CA GLU A 16 6.428 8.530 4.221 1.00 0.00 C ATOM 294 C GLU A 16 4.970 8.037 4.172 1.00 0.00 C ATOM 295 O GLU A 16 4.674 6.863 4.434 1.00 0.00 O ATOM 296 CB GLU A 16 7.459 7.375 4.100 1.00 0.00 C ATOM 297 CG GLU A 16 8.924 7.861 4.153 1.00 0.00 C ATOM 298 CD GLU A 16 9.944 6.724 4.204 1.00 0.00 C ATOM 299 OE1 GLU A 16 10.136 6.134 5.287 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.562 6.408 3.173 1.00 0.00 O ATOM 0 H GLU A 16 6.527 8.685 6.308 1.00 0.00 H new ATOM 0 HA GLU A 16 6.576 9.185 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.291 6.660 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.292 6.844 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.125 8.479 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.056 8.496 5.029 1.00 0.00 H new ATOM 307 N VAL A 17 4.051 8.994 3.899 1.00 0.00 N ATOM 308 CA VAL A 17 2.592 8.741 3.816 1.00 0.00 C ATOM 309 C VAL A 17 1.993 9.498 2.625 1.00 0.00 C ATOM 310 O VAL A 17 2.621 10.400 2.060 1.00 0.00 O ATOM 311 CB VAL A 17 1.804 9.149 5.126 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.416 8.523 6.387 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.676 10.679 5.273 1.00 0.00 C ATOM 0 H VAL A 17 4.302 9.968 3.729 1.00 0.00 H new ATOM 0 HA VAL A 17 2.481 7.664 3.691 1.00 0.00 H new ATOM 0 HB VAL A 17 0.797 8.745 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.842 8.831 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.393 7.437 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.448 8.856 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.128 10.912 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.670 11.124 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.140 11.083 4.415 1.00 0.00 H new ATOM 323 N GLU A 18 0.751 9.151 2.285 1.00 0.00 N ATOM 324 CA GLU A 18 0.029 9.773 1.165 1.00 0.00 C ATOM 325 C GLU A 18 -0.684 11.047 1.667 1.00 0.00 C ATOM 326 O GLU A 18 -0.963 11.161 2.866 1.00 0.00 O ATOM 327 CB GLU A 18 -1.012 8.772 0.560 1.00 0.00 C ATOM 328 CG GLU A 18 -0.611 7.288 0.663 1.00 0.00 C ATOM 329 CD GLU A 18 -1.314 6.383 -0.350 1.00 0.00 C ATOM 330 OE1 GLU A 18 -0.989 6.490 -1.546 1.00 0.00 O ATOM 331 OE2 GLU A 18 -2.176 5.566 0.029 1.00 0.00 O ATOM 0 H GLU A 18 0.215 8.434 2.774 1.00 0.00 H new ATOM 0 HA GLU A 18 0.740 10.038 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.967 8.912 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.167 9.021 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.467 7.203 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.832 6.931 1.669 1.00 0.00 H new ATOM 338 N PRO A 19 -0.976 12.039 0.773 1.00 0.00 N ATOM 339 CA PRO A 19 -1.924 13.131 1.095 1.00 0.00 C ATOM 340 C PRO A 19 -3.319 12.568 1.481 1.00 0.00 C ATOM 341 O PRO A 19 -3.979 13.063 2.393 1.00 0.00 O ATOM 342 CB PRO A 19 -1.970 13.979 -0.209 1.00 0.00 C ATOM 343 CG PRO A 19 -1.370 13.104 -1.274 1.00 0.00 C ATOM 344 CD PRO A 19 -0.369 12.222 -0.569 1.00 0.00 C ATOM 0 HA PRO A 19 -1.616 13.723 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.993 14.259 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.405 14.904 -0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.137 12.507 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.887 13.703 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.235 11.271 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.612 12.693 -0.508 1.00 0.00 H new ATOM 352 N SER A 20 -3.706 11.470 0.817 1.00 0.00 N ATOM 353 CA SER A 20 -5.013 10.816 0.997 1.00 0.00 C ATOM 354 C SER A 20 -4.900 9.612 1.973 1.00 0.00 C ATOM 355 O SER A 20 -5.788 8.755 2.016 1.00 0.00 O ATOM 356 CB SER A 20 -5.534 10.387 -0.404 1.00 0.00 C ATOM 357 OG SER A 20 -6.822 9.792 -0.354 1.00 0.00 O ATOM 0 H SER A 20 -3.113 11.004 0.130 1.00 0.00 H new ATOM 0 HA SER A 20 -5.726 11.507 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.567 11.259 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.831 9.683 -0.848 1.00 0.00 H new ATOM 0 HG SER A 20 -6.916 9.286 0.480 1.00 0.00 H new ATOM 363 N ASP A 21 -3.818 9.585 2.792 1.00 0.00 N ATOM 364 CA ASP A 21 -3.563 8.502 3.769 1.00 0.00 C ATOM 365 C ASP A 21 -4.479 8.691 5.012 1.00 0.00 C ATOM 366 O ASP A 21 -5.635 8.264 4.979 1.00 0.00 O ATOM 367 CB ASP A 21 -2.051 8.476 4.132 1.00 0.00 C ATOM 368 CG ASP A 21 -1.605 7.245 4.929 1.00 0.00 C ATOM 369 OD1 ASP A 21 -1.657 7.280 6.171 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.197 6.236 4.308 1.00 0.00 O ATOM 0 H ASP A 21 -3.102 10.311 2.792 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.808 7.532 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.469 8.526 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.814 9.370 4.708 1.00 0.00 H new ATOM 375 N THR A 22 -3.959 9.356 6.078 1.00 0.00 N ATOM 376 CA THR A 22 -4.722 9.769 7.282 1.00 0.00 C ATOM 377 C THR A 22 -3.765 10.412 8.304 1.00 0.00 C ATOM 378 O THR A 22 -2.634 9.945 8.480 1.00 0.00 O ATOM 379 CB THR A 22 -5.543 8.613 7.982 1.00 0.00 C ATOM 380 OG1 THR A 22 -6.263 9.137 9.116 1.00 0.00 O ATOM 381 CG2 THR A 22 -4.664 7.432 8.439 1.00 0.00 C ATOM 0 H THR A 22 -2.976 9.625 6.123 1.00 0.00 H new ATOM 0 HA THR A 22 -5.465 10.483 6.927 1.00 0.00 H new ATOM 0 HB THR A 22 -6.234 8.228 7.232 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.525 10.064 8.937 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.289 6.674 8.911 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.159 6.999 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.921 7.786 9.154 1.00 0.00 H new ATOM 389 N ILE A 23 -4.246 11.478 8.972 1.00 0.00 N ATOM 390 CA ILE A 23 -3.474 12.270 9.955 1.00 0.00 C ATOM 391 C ILE A 23 -3.036 11.408 11.161 1.00 0.00 C ATOM 392 O ILE A 23 -1.938 11.591 11.700 1.00 0.00 O ATOM 393 CB ILE A 23 -4.314 13.490 10.486 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.755 14.460 9.340 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.560 14.261 11.590 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.622 15.154 8.610 1.00 0.00 C ATOM 0 H ILE A 23 -5.198 11.821 8.843 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.588 12.634 9.435 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.221 13.069 10.920 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.342 13.897 8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.413 15.220 9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.171 15.096 11.932 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.357 13.593 12.427 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.619 14.639 11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.031 15.803 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.046 15.751 9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.973 14.408 8.152 1.00 0.00 H new ATOM 408 N GLU A 24 -3.936 10.492 11.577 1.00 0.00 N ATOM 409 CA GLU A 24 -3.695 9.524 12.674 1.00 0.00 C ATOM 410 C GLU A 24 -2.363 8.794 12.469 1.00 0.00 C ATOM 411 O GLU A 24 -1.540 8.656 13.393 1.00 0.00 O ATOM 412 CB GLU A 24 -4.862 8.504 12.704 1.00 0.00 C ATOM 413 CG GLU A 24 -4.751 7.386 13.757 1.00 0.00 C ATOM 414 CD GLU A 24 -5.912 6.381 13.663 1.00 0.00 C ATOM 415 OE1 GLU A 24 -5.910 5.550 12.727 1.00 0.00 O ATOM 416 OE2 GLU A 24 -6.844 6.439 14.493 1.00 0.00 O ATOM 0 H GLU A 24 -4.861 10.401 11.158 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.644 10.059 13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.790 9.048 12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.941 8.043 11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.806 6.859 13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.735 7.828 14.753 1.00 0.00 H new ATOM 423 N ASN A 25 -2.163 8.378 11.219 1.00 0.00 N ATOM 424 CA ASN A 25 -0.969 7.660 10.798 1.00 0.00 C ATOM 425 C ASN A 25 0.231 8.610 10.768 1.00 0.00 C ATOM 426 O ASN A 25 1.298 8.255 11.246 1.00 0.00 O ATOM 427 CB ASN A 25 -1.198 7.051 9.410 1.00 0.00 C ATOM 428 CG ASN A 25 -0.134 6.035 9.001 1.00 0.00 C ATOM 429 OD1 ASN A 25 -0.230 4.850 9.320 1.00 0.00 O ATOM 430 ND2 ASN A 25 0.874 6.484 8.279 1.00 0.00 N ATOM 0 H ASN A 25 -2.834 8.533 10.466 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.761 6.860 11.508 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.175 6.568 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.225 7.852 8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.604 5.843 7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.924 7.472 8.032 1.00 0.00 H new ATOM 437 N VAL A 26 0.010 9.828 10.221 1.00 0.00 N ATOM 438 CA VAL A 26 1.069 10.859 10.049 1.00 0.00 C ATOM 439 C VAL A 26 1.769 11.159 11.389 1.00 0.00 C ATOM 440 O VAL A 26 2.990 11.099 11.470 1.00 0.00 O ATOM 441 CB VAL A 26 0.522 12.218 9.443 1.00 0.00 C ATOM 442 CG1 VAL A 26 1.653 13.268 9.244 1.00 0.00 C ATOM 443 CG2 VAL A 26 -0.224 11.976 8.118 1.00 0.00 C ATOM 0 H VAL A 26 -0.906 10.127 9.886 1.00 0.00 H new ATOM 0 HA VAL A 26 1.779 10.436 9.339 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.182 12.625 10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.231 14.182 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.118 13.488 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.403 12.870 8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.588 12.926 7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.455 11.522 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.068 11.309 8.292 1.00 0.00 H new ATOM 453 N LYS A 27 0.978 11.439 12.439 1.00 0.00 N ATOM 454 CA LYS A 27 1.514 11.770 13.776 1.00 0.00 C ATOM 455 C LYS A 27 2.184 10.544 14.429 1.00 0.00 C ATOM 456 O LYS A 27 3.202 10.674 15.117 1.00 0.00 O ATOM 457 CB LYS A 27 0.415 12.379 14.682 1.00 0.00 C ATOM 458 CG LYS A 27 -0.806 11.491 14.971 1.00 0.00 C ATOM 459 CD LYS A 27 -1.911 12.262 15.732 1.00 0.00 C ATOM 460 CE LYS A 27 -2.537 13.387 14.892 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.486 14.228 15.674 1.00 0.00 N ATOM 0 H LYS A 27 -0.041 11.443 12.389 1.00 0.00 H new ATOM 0 HA LYS A 27 2.287 12.528 13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.871 12.653 15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.064 13.301 14.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.209 11.111 14.032 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.496 10.627 15.558 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.691 11.564 16.036 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.490 12.686 16.644 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.745 14.018 14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.060 12.951 14.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.840 15.001 15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.285 13.644 15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.996 14.627 16.500 1.00 0.00 H new ATOM 475 N ALA A 28 1.615 9.352 14.181 1.00 0.00 N ATOM 476 CA ALA A 28 2.255 8.070 14.549 1.00 0.00 C ATOM 477 C ALA A 28 3.615 7.897 13.826 1.00 0.00 C ATOM 478 O ALA A 28 4.511 7.233 14.345 1.00 0.00 O ATOM 479 CB ALA A 28 1.312 6.895 14.238 1.00 0.00 C ATOM 0 H ALA A 28 0.709 9.246 13.725 1.00 0.00 H new ATOM 0 HA ALA A 28 2.451 8.080 15.621 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.795 5.958 14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.389 7.008 14.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.082 6.885 13.173 1.00 0.00 H new ATOM 485 N LYS A 29 3.764 8.514 12.629 1.00 0.00 N ATOM 486 CA LYS A 29 5.026 8.467 11.869 1.00 0.00 C ATOM 487 C LYS A 29 6.093 9.372 12.509 1.00 0.00 C ATOM 488 O LYS A 29 7.254 9.005 12.501 1.00 0.00 O ATOM 489 CB LYS A 29 4.852 8.846 10.370 1.00 0.00 C ATOM 490 CG LYS A 29 3.878 7.999 9.525 1.00 0.00 C ATOM 491 CD LYS A 29 4.145 6.467 9.545 1.00 0.00 C ATOM 492 CE LYS A 29 3.315 5.713 10.598 1.00 0.00 C ATOM 493 NZ LYS A 29 3.700 4.283 10.684 1.00 0.00 N ATOM 0 H LYS A 29 3.024 9.048 12.174 1.00 0.00 H new ATOM 0 HA LYS A 29 5.356 7.429 11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.522 9.884 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.833 8.801 9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.863 8.180 9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.922 8.346 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.927 6.055 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.204 6.293 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.449 6.184 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.257 5.790 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.118 3.810 11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.549 3.827 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.704 4.209 10.946 1.00 0.00 H new ATOM 507 N ILE A 30 5.708 10.561 13.050 1.00 0.00 N ATOM 508 CA ILE A 30 6.669 11.417 13.808 1.00 0.00 C ATOM 509 C ILE A 30 7.189 10.630 15.039 1.00 0.00 C ATOM 510 O ILE A 30 8.392 10.642 15.350 1.00 0.00 O ATOM 511 CB ILE A 30 6.074 12.819 14.267 1.00 0.00 C ATOM 512 CG1 ILE A 30 5.812 13.802 13.068 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.997 13.522 15.298 1.00 0.00 C ATOM 514 CD1 ILE A 30 4.550 13.564 12.276 1.00 0.00 C ATOM 0 H ILE A 30 4.765 10.943 12.980 1.00 0.00 H new ATOM 0 HA ILE A 30 7.483 11.655 13.123 1.00 0.00 H new ATOM 0 HB ILE A 30 5.115 12.584 14.729 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.785 14.819 13.458 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.660 13.745 12.386 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.558 14.476 15.588 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.106 12.890 16.179 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.976 13.694 14.852 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.477 14.302 11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.574 12.563 11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.685 13.655 12.933 1.00 0.00 H new ATOM 526 N GLN A 31 6.260 9.896 15.686 1.00 0.00 N ATOM 527 CA GLN A 31 6.573 8.999 16.814 1.00 0.00 C ATOM 528 C GLN A 31 7.477 7.823 16.366 1.00 0.00 C ATOM 529 O GLN A 31 8.208 7.254 17.172 1.00 0.00 O ATOM 530 CB GLN A 31 5.259 8.472 17.459 1.00 0.00 C ATOM 531 CG GLN A 31 5.470 7.606 18.721 1.00 0.00 C ATOM 532 CD GLN A 31 4.187 7.129 19.416 1.00 0.00 C ATOM 533 OE1 GLN A 31 4.164 6.967 20.634 1.00 0.00 O ATOM 534 NE2 GLN A 31 3.125 6.872 18.662 1.00 0.00 N ATOM 0 H GLN A 31 5.270 9.910 15.439 1.00 0.00 H new ATOM 0 HA GLN A 31 7.125 9.570 17.560 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.629 9.323 17.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.714 7.886 16.718 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.060 6.732 18.446 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.060 8.177 19.438 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.169 7.015 17.653 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.265 6.532 19.092 1.00 0.00 H new ATOM 543 N ASP A 32 7.405 7.471 15.075 1.00 0.00 N ATOM 544 CA ASP A 32 8.270 6.432 14.468 1.00 0.00 C ATOM 545 C ASP A 32 9.661 7.005 14.109 1.00 0.00 C ATOM 546 O ASP A 32 10.662 6.286 14.191 1.00 0.00 O ATOM 547 CB ASP A 32 7.579 5.843 13.204 1.00 0.00 C ATOM 548 CG ASP A 32 8.387 4.726 12.509 1.00 0.00 C ATOM 549 OD1 ASP A 32 8.365 3.575 13.001 1.00 0.00 O ATOM 550 OD2 ASP A 32 9.048 4.990 11.475 1.00 0.00 O ATOM 0 H ASP A 32 6.749 7.893 14.418 1.00 0.00 H new ATOM 0 HA ASP A 32 8.417 5.636 15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.603 5.449 13.487 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.403 6.648 12.490 1.00 0.00 H new ATOM 555 N LYS A 33 9.721 8.304 13.733 1.00 0.00 N ATOM 556 CA LYS A 33 10.961 8.928 13.206 1.00 0.00 C ATOM 557 C LYS A 33 11.824 9.490 14.353 1.00 0.00 C ATOM 558 O LYS A 33 12.891 8.938 14.654 1.00 0.00 O ATOM 559 CB LYS A 33 10.628 10.062 12.192 1.00 0.00 C ATOM 560 CG LYS A 33 9.834 9.625 10.938 1.00 0.00 C ATOM 561 CD LYS A 33 10.637 8.764 9.939 1.00 0.00 C ATOM 562 CE LYS A 33 9.770 8.300 8.747 1.00 0.00 C ATOM 563 NZ LYS A 33 10.573 7.560 7.737 1.00 0.00 N ATOM 0 H LYS A 33 8.926 8.941 13.784 1.00 0.00 H new ATOM 0 HA LYS A 33 11.525 8.152 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.058 10.833 12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.562 10.520 11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.955 9.064 11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.474 10.516 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.487 9.337 9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.041 7.893 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.964 7.662 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.304 9.166 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.942 7.178 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.261 8.206 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.079 6.778 8.201 1.00 0.00 H new ATOM 577 N GLU A 34 11.345 10.574 15.020 1.00 0.00 N ATOM 578 CA GLU A 34 12.097 11.211 16.123 1.00 0.00 C ATOM 579 C GLU A 34 11.880 10.449 17.446 1.00 0.00 C ATOM 580 O GLU A 34 12.718 10.510 18.347 1.00 0.00 O ATOM 581 CB GLU A 34 11.749 12.714 16.298 1.00 0.00 C ATOM 582 CG GLU A 34 10.303 13.022 16.731 1.00 0.00 C ATOM 583 CD GLU A 34 10.130 14.472 17.215 1.00 0.00 C ATOM 584 OE1 GLU A 34 10.642 14.786 18.305 1.00 0.00 O ATOM 585 OE2 GLU A 34 9.526 15.297 16.511 1.00 0.00 O ATOM 0 H GLU A 34 10.450 11.018 14.812 1.00 0.00 H new ATOM 0 HA GLU A 34 13.151 11.159 15.851 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.428 13.141 17.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.942 13.224 15.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.629 12.839 15.894 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.013 12.339 17.529 1.00 0.00 H new ATOM 592 N GLY A 35 10.730 9.758 17.557 1.00 0.00 N ATOM 593 CA GLY A 35 10.464 8.851 18.674 1.00 0.00 C ATOM 594 C GLY A 35 9.699 9.513 19.802 1.00 0.00 C ATOM 595 O GLY A 35 9.789 9.073 20.952 1.00 0.00 O ATOM 0 H GLY A 35 9.970 9.816 16.879 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.897 7.993 18.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.410 8.469 19.058 1.00 0.00 H new ATOM 599 N ILE A 36 8.949 10.585 19.488 1.00 0.00 N ATOM 600 CA ILE A 36 8.173 11.356 20.492 1.00 0.00 C ATOM 601 C ILE A 36 6.652 11.097 20.283 1.00 0.00 C ATOM 602 O ILE A 36 6.173 11.175 19.150 1.00 0.00 O ATOM 603 CB ILE A 36 8.537 12.911 20.450 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.847 13.215 21.270 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.381 13.811 20.966 1.00 0.00 C ATOM 606 CD1 ILE A 36 11.130 12.579 20.758 1.00 0.00 C ATOM 0 H ILE A 36 8.860 10.944 18.538 1.00 0.00 H new ATOM 0 HA ILE A 36 8.443 11.013 21.491 1.00 0.00 H new ATOM 0 HB ILE A 36 8.705 13.151 19.400 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.989 14.295 21.298 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.690 12.887 22.298 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.684 14.857 20.915 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.497 13.658 20.347 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.150 13.550 21.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.960 12.862 21.405 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.024 11.494 20.758 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.327 12.924 19.743 1.00 0.00 H new ATOM 618 N PRO A 37 5.883 10.778 21.382 1.00 0.00 N ATOM 619 CA PRO A 37 4.446 10.380 21.291 1.00 0.00 C ATOM 620 C PRO A 37 3.528 11.520 20.761 1.00 0.00 C ATOM 621 O PRO A 37 3.811 12.689 21.032 1.00 0.00 O ATOM 622 CB PRO A 37 4.094 10.006 22.759 1.00 0.00 C ATOM 623 CG PRO A 37 5.064 10.789 23.589 1.00 0.00 C ATOM 624 CD PRO A 37 6.350 10.795 22.803 1.00 0.00 C ATOM 0 HA PRO A 37 4.290 9.569 20.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.064 10.269 22.999 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.198 8.935 22.932 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.704 11.803 23.761 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.204 10.330 24.568 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.950 11.679 23.019 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.967 9.927 23.034 1.00 0.00 H new ATOM 632 N PRO A 38 2.387 11.183 20.044 1.00 0.00 N ATOM 633 CA PRO A 38 1.455 12.189 19.440 1.00 0.00 C ATOM 634 C PRO A 38 0.796 13.123 20.474 1.00 0.00 C ATOM 635 O PRO A 38 0.147 14.109 20.111 1.00 0.00 O ATOM 636 CB PRO A 38 0.399 11.316 18.704 1.00 0.00 C ATOM 637 CG PRO A 38 0.461 9.991 19.394 1.00 0.00 C ATOM 638 CD PRO A 38 1.911 9.800 19.768 1.00 0.00 C ATOM 0 HA PRO A 38 1.986 12.876 18.781 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.597 11.754 18.775 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.631 11.222 17.643 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.177 9.978 20.277 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.116 9.191 18.739 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.018 9.157 20.642 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.476 9.336 18.960 1.00 0.00 H new ATOM 646 N ASP A 39 0.932 12.760 21.759 1.00 0.00 N ATOM 647 CA ASP A 39 0.492 13.593 22.886 1.00 0.00 C ATOM 648 C ASP A 39 1.442 14.793 23.075 1.00 0.00 C ATOM 649 O ASP A 39 0.996 15.919 23.274 1.00 0.00 O ATOM 650 CB ASP A 39 0.428 12.736 24.175 1.00 0.00 C ATOM 651 CG ASP A 39 -0.122 13.496 25.397 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.249 14.032 25.308 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.559 13.565 26.446 1.00 0.00 O ATOM 0 H ASP A 39 1.352 11.876 22.045 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.503 13.983 22.673 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.198 11.863 23.990 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.428 12.369 24.406 1.00 0.00 H new ATOM 658 N GLN A 40 2.758 14.525 22.976 1.00 0.00 N ATOM 659 CA GLN A 40 3.828 15.526 23.200 1.00 0.00 C ATOM 660 C GLN A 40 4.122 16.341 21.929 1.00 0.00 C ATOM 661 O GLN A 40 4.568 17.479 22.014 1.00 0.00 O ATOM 662 CB GLN A 40 5.119 14.810 23.727 1.00 0.00 C ATOM 663 CG GLN A 40 5.281 14.757 25.268 1.00 0.00 C ATOM 664 CD GLN A 40 3.971 14.576 26.028 1.00 0.00 C ATOM 665 OE1 GLN A 40 3.334 15.552 26.412 1.00 0.00 O ATOM 666 NE2 GLN A 40 3.566 13.346 26.249 1.00 0.00 N ATOM 0 H GLN A 40 3.115 13.600 22.736 1.00 0.00 H new ATOM 0 HA GLN A 40 3.484 16.234 23.954 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.127 13.789 23.345 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.989 15.315 23.306 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.953 13.937 25.524 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.759 15.677 25.604 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.121 12.558 25.915 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.696 13.179 26.755 1.00 0.00 H new ATOM 675 N GLN A 41 3.902 15.736 20.766 1.00 0.00 N ATOM 676 CA GLN A 41 4.106 16.392 19.460 1.00 0.00 C ATOM 677 C GLN A 41 2.740 16.670 18.791 1.00 0.00 C ATOM 678 O GLN A 41 1.930 15.760 18.590 1.00 0.00 O ATOM 679 CB GLN A 41 5.074 15.541 18.582 1.00 0.00 C ATOM 680 CG GLN A 41 4.676 14.068 18.317 1.00 0.00 C ATOM 681 CD GLN A 41 3.898 13.827 17.027 1.00 0.00 C ATOM 682 OE1 GLN A 41 3.962 14.607 16.092 1.00 0.00 O ATOM 683 NE2 GLN A 41 3.250 12.694 16.928 1.00 0.00 N ATOM 0 H GLN A 41 3.576 14.772 20.693 1.00 0.00 H new ATOM 0 HA GLN A 41 4.586 17.362 19.592 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.184 16.040 17.619 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.055 15.546 19.058 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.582 13.462 18.295 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.076 13.714 19.156 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.211 12.058 17.724 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.784 12.447 16.055 1.00 0.00 H new ATOM 692 N ARG A 42 2.494 17.951 18.466 1.00 0.00 N ATOM 693 CA ARG A 42 1.178 18.458 18.041 1.00 0.00 C ATOM 694 C ARG A 42 1.224 18.879 16.568 1.00 0.00 C ATOM 695 O ARG A 42 2.077 19.683 16.173 1.00 0.00 O ATOM 696 CB ARG A 42 0.787 19.663 18.936 1.00 0.00 C ATOM 697 CG ARG A 42 -0.679 20.118 18.820 1.00 0.00 C ATOM 698 CD ARG A 42 -0.992 21.269 19.786 1.00 0.00 C ATOM 699 NE ARG A 42 -2.432 21.556 19.857 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.045 22.249 20.830 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.356 22.808 21.824 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.357 22.370 20.810 1.00 0.00 N ATOM 0 H ARG A 42 3.214 18.673 18.492 1.00 0.00 H new ATOM 0 HA ARG A 42 0.431 17.671 18.147 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.989 19.404 19.975 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.433 20.505 18.686 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.882 20.435 17.797 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.339 19.277 19.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.624 21.017 20.780 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.460 22.165 19.466 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.016 21.198 19.102 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.341 22.714 21.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.844 23.330 22.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.898 21.939 20.060 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.832 22.894 21.545 1.00 0.00 H new ATOM 716 N LEU A 43 0.276 18.364 15.775 1.00 0.00 N ATOM 717 CA LEU A 43 0.254 18.551 14.313 1.00 0.00 C ATOM 718 C LEU A 43 -0.610 19.754 13.941 1.00 0.00 C ATOM 719 O LEU A 43 -1.797 19.794 14.271 1.00 0.00 O ATOM 720 CB LEU A 43 -0.264 17.251 13.614 1.00 0.00 C ATOM 721 CG LEU A 43 0.813 16.175 13.302 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.842 16.727 12.298 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.494 15.677 14.589 1.00 0.00 C ATOM 0 H LEU A 43 -0.501 17.804 16.127 1.00 0.00 H new ATOM 0 HA LEU A 43 1.269 18.747 13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.028 16.800 14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.750 17.533 12.680 1.00 0.00 H new ATOM 0 HG LEU A 43 0.320 15.316 12.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.591 15.964 12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.336 17.003 11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.329 17.606 12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.242 14.925 14.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.976 16.515 15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.746 15.238 15.250 1.00 0.00 H new ATOM 735 N ILE A 44 0.017 20.747 13.277 1.00 0.00 N ATOM 736 CA ILE A 44 -0.631 21.998 12.843 1.00 0.00 C ATOM 737 C ILE A 44 -0.091 22.416 11.459 1.00 0.00 C ATOM 738 O ILE A 44 1.114 22.372 11.217 1.00 0.00 O ATOM 739 CB ILE A 44 -0.399 23.147 13.904 1.00 0.00 C ATOM 740 CG1 ILE A 44 -1.144 22.804 15.238 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.829 24.545 13.377 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.832 23.703 16.396 1.00 0.00 C ATOM 0 H ILE A 44 1.004 20.699 13.024 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.705 21.827 12.764 1.00 0.00 H new ATOM 0 HB ILE A 44 0.673 23.203 14.093 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.218 22.836 15.054 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.899 21.780 15.518 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.648 25.295 14.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.251 24.792 12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.890 24.530 13.128 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.398 23.381 17.270 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.234 23.655 16.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.105 24.728 16.145 1.00 0.00 H new ATOM 754 N PHE A 45 -1.001 22.821 10.566 1.00 0.00 N ATOM 755 CA PHE A 45 -0.677 23.340 9.225 1.00 0.00 C ATOM 756 C PHE A 45 -1.461 24.636 9.014 1.00 0.00 C ATOM 757 O PHE A 45 -2.674 24.631 9.164 1.00 0.00 O ATOM 758 CB PHE A 45 -1.057 22.295 8.144 1.00 0.00 C ATOM 759 CG PHE A 45 -0.795 22.736 6.693 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.477 22.623 6.133 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.827 23.229 5.885 1.00 0.00 C ATOM 762 CE1 PHE A 45 0.718 22.999 4.825 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.582 23.608 4.578 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.313 23.484 4.045 1.00 0.00 C ATOM 0 H PHE A 45 -2.003 22.798 10.755 1.00 0.00 H new ATOM 0 HA PHE A 45 0.392 23.535 9.143 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.500 21.378 8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.115 22.054 8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.288 22.235 6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.826 23.314 6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.713 22.913 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.385 24.002 3.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.128 23.766 3.019 1.00 0.00 H new ATOM 774 N ALA A 46 -0.764 25.743 8.713 1.00 0.00 N ATOM 775 CA ALA A 46 -1.394 27.053 8.396 1.00 0.00 C ATOM 776 C ALA A 46 -2.254 27.600 9.566 1.00 0.00 C ATOM 777 O ALA A 46 -3.100 28.481 9.362 1.00 0.00 O ATOM 778 CB ALA A 46 -2.215 26.958 7.090 1.00 0.00 C ATOM 0 H ALA A 46 0.255 25.764 8.680 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.588 27.771 8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.668 27.925 6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.559 26.673 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.998 26.208 7.206 1.00 0.00 H new ATOM 784 N GLY A 47 -2.000 27.093 10.792 1.00 0.00 N ATOM 785 CA GLY A 47 -2.731 27.509 11.991 1.00 0.00 C ATOM 786 C GLY A 47 -3.820 26.530 12.443 1.00 0.00 C ATOM 787 O GLY A 47 -4.244 26.576 13.609 1.00 0.00 O ATOM 0 H GLY A 47 -1.285 26.388 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.020 27.644 12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.189 28.480 11.803 1.00 0.00 H new ATOM 791 N LYS A 48 -4.266 25.633 11.541 1.00 0.00 N ATOM 792 CA LYS A 48 -5.331 24.643 11.840 1.00 0.00 C ATOM 793 C LYS A 48 -4.704 23.377 12.475 1.00 0.00 C ATOM 794 O LYS A 48 -3.631 22.931 12.044 1.00 0.00 O ATOM 795 CB LYS A 48 -6.129 24.299 10.530 1.00 0.00 C ATOM 796 CG LYS A 48 -5.416 23.334 9.538 1.00 0.00 C ATOM 797 CD LYS A 48 -5.883 23.462 8.066 1.00 0.00 C ATOM 798 CE LYS A 48 -5.458 24.774 7.400 1.00 0.00 C ATOM 799 NZ LYS A 48 -5.769 24.779 5.947 1.00 0.00 N ATOM 0 H LYS A 48 -3.904 25.571 10.590 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.035 25.066 12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.084 23.858 10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.351 25.229 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.342 23.517 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.579 22.308 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.482 22.626 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.969 23.381 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.966 25.609 7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.388 24.925 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.140 25.449 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.626 23.825 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.758 25.066 5.805 1.00 0.00 H new ATOM 813 N GLN A 49 -5.349 22.824 13.523 1.00 0.00 N ATOM 814 CA GLN A 49 -4.888 21.570 14.167 1.00 0.00 C ATOM 815 C GLN A 49 -5.373 20.359 13.363 1.00 0.00 C ATOM 816 O GLN A 49 -6.536 20.302 12.952 1.00 0.00 O ATOM 817 CB GLN A 49 -5.390 21.458 15.627 1.00 0.00 C ATOM 818 CG GLN A 49 -4.923 20.180 16.365 1.00 0.00 C ATOM 819 CD GLN A 49 -5.487 20.055 17.778 1.00 0.00 C ATOM 820 OE1 GLN A 49 -4.875 20.506 18.741 1.00 0.00 O ATOM 821 NE2 GLN A 49 -6.658 19.453 17.911 1.00 0.00 N ATOM 0 H GLN A 49 -6.189 23.223 13.943 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.798 21.590 14.185 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.049 22.330 16.184 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.480 21.486 15.627 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.219 19.306 15.785 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.834 20.176 16.415 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.141 19.089 17.089 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.078 19.353 18.835 1.00 0.00 H new ATOM 830 N LEU A 50 -4.476 19.386 13.150 1.00 0.00 N ATOM 831 CA LEU A 50 -4.764 18.215 12.337 1.00 0.00 C ATOM 832 C LEU A 50 -5.410 17.084 13.185 1.00 0.00 C ATOM 833 O LEU A 50 -4.779 16.546 14.106 1.00 0.00 O ATOM 834 CB LEU A 50 -3.472 17.734 11.635 1.00 0.00 C ATOM 835 CG LEU A 50 -2.602 18.811 10.895 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.505 18.136 10.063 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.449 19.784 10.043 1.00 0.00 C ATOM 0 H LEU A 50 -3.534 19.396 13.540 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.490 18.489 11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.843 17.251 12.383 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.749 16.969 10.909 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.126 19.423 11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.912 18.898 9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.860 17.550 10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.962 17.480 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.794 20.506 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.997 19.222 9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.154 20.311 10.686 1.00 0.00 H new ATOM 849 N GLU A 51 -6.668 16.727 12.834 1.00 0.00 N ATOM 850 CA GLU A 51 -7.468 15.692 13.520 1.00 0.00 C ATOM 851 C GLU A 51 -7.133 14.315 12.941 1.00 0.00 C ATOM 852 O GLU A 51 -7.068 14.168 11.717 1.00 0.00 O ATOM 853 CB GLU A 51 -8.984 15.976 13.314 1.00 0.00 C ATOM 854 CG GLU A 51 -9.943 14.893 13.860 1.00 0.00 C ATOM 855 CD GLU A 51 -11.413 15.145 13.491 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.838 14.724 12.398 1.00 0.00 O ATOM 857 OE2 GLU A 51 -12.145 15.773 14.286 1.00 0.00 O ATOM 0 H GLU A 51 -7.161 17.159 12.053 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.235 15.710 14.585 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.226 16.925 13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.171 16.098 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.640 13.920 13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.850 14.848 14.945 1.00 0.00 H new ATOM 864 N ASP A 52 -7.023 13.316 13.833 1.00 0.00 N ATOM 865 CA ASP A 52 -6.644 11.929 13.501 1.00 0.00 C ATOM 866 C ASP A 52 -7.496 11.328 12.366 1.00 0.00 C ATOM 867 O ASP A 52 -6.946 10.760 11.412 1.00 0.00 O ATOM 868 CB ASP A 52 -6.762 11.047 14.772 1.00 0.00 C ATOM 869 CG ASP A 52 -5.677 11.351 15.819 1.00 0.00 C ATOM 870 OD1 ASP A 52 -5.729 12.431 16.448 1.00 0.00 O ATOM 871 OD2 ASP A 52 -4.765 10.515 16.009 1.00 0.00 O ATOM 0 H ASP A 52 -7.199 13.452 14.828 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.615 11.951 13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.744 11.196 15.221 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.699 9.997 14.486 1.00 0.00 H new ATOM 876 N GLY A 53 -8.828 11.492 12.476 1.00 0.00 N ATOM 877 CA GLY A 53 -9.782 10.872 11.550 1.00 0.00 C ATOM 878 C GLY A 53 -9.633 11.346 10.102 1.00 0.00 C ATOM 879 O GLY A 53 -9.874 10.581 9.163 1.00 0.00 O ATOM 0 H GLY A 53 -9.266 12.055 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.656 9.790 11.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.795 11.085 11.890 1.00 0.00 H new ATOM 883 N ARG A 54 -9.200 12.606 9.937 1.00 0.00 N ATOM 884 CA ARG A 54 -9.090 13.266 8.617 1.00 0.00 C ATOM 885 C ARG A 54 -7.814 12.850 7.869 1.00 0.00 C ATOM 886 O ARG A 54 -7.014 12.065 8.373 1.00 0.00 O ATOM 887 CB ARG A 54 -9.144 14.803 8.802 1.00 0.00 C ATOM 888 CG ARG A 54 -10.443 15.288 9.477 1.00 0.00 C ATOM 889 CD ARG A 54 -10.571 16.810 9.528 1.00 0.00 C ATOM 890 NE ARG A 54 -11.734 17.246 10.313 1.00 0.00 N ATOM 891 CZ ARG A 54 -12.068 18.521 10.548 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.364 19.522 10.038 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.113 18.800 11.298 1.00 0.00 N ATOM 0 H ARG A 54 -8.914 13.201 10.715 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.932 12.944 8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.290 15.121 9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.047 15.283 7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.298 14.877 8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.485 14.893 10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.664 17.234 9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.654 17.200 8.513 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.333 16.522 10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.551 19.328 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.636 20.486 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.668 18.045 11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.367 19.771 11.477 1.00 0.00 H new ATOM 907 N THR A 55 -7.659 13.368 6.641 1.00 0.00 N ATOM 908 CA THR A 55 -6.462 13.151 5.803 1.00 0.00 C ATOM 909 C THR A 55 -5.695 14.468 5.637 1.00 0.00 C ATOM 910 O THR A 55 -6.220 15.544 5.974 1.00 0.00 O ATOM 911 CB THR A 55 -6.852 12.591 4.395 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.848 13.439 3.789 1.00 0.00 O ATOM 913 CG2 THR A 55 -7.371 11.146 4.475 1.00 0.00 C ATOM 0 H THR A 55 -8.364 13.954 6.195 1.00 0.00 H new ATOM 0 HA THR A 55 -5.829 12.417 6.302 1.00 0.00 H new ATOM 0 HB THR A 55 -5.952 12.584 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.087 13.084 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.630 10.797 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.596 10.504 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.255 11.112 5.112 1.00 0.00 H new ATOM 921 N LEU A 56 -4.455 14.378 5.104 1.00 0.00 N ATOM 922 CA LEU A 56 -3.632 15.564 4.806 1.00 0.00 C ATOM 923 C LEU A 56 -4.395 16.465 3.807 1.00 0.00 C ATOM 924 O LEU A 56 -4.619 17.650 4.067 1.00 0.00 O ATOM 925 CB LEU A 56 -2.237 15.157 4.230 1.00 0.00 C ATOM 926 CG LEU A 56 -1.226 14.473 5.214 1.00 0.00 C ATOM 927 CD1 LEU A 56 0.034 13.974 4.465 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.818 15.426 6.363 1.00 0.00 C ATOM 0 H LEU A 56 -4.005 13.492 4.872 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.451 16.113 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.402 14.480 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.763 16.053 3.828 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.736 13.613 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.716 13.504 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.258 13.248 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.531 14.818 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.117 14.918 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.345 16.316 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.704 15.716 6.927 1.00 0.00 H new ATOM 940 N SER A 57 -4.865 15.834 2.716 1.00 0.00 N ATOM 941 CA SER A 57 -5.627 16.476 1.633 1.00 0.00 C ATOM 942 C SER A 57 -6.876 17.222 2.143 1.00 0.00 C ATOM 943 O SER A 57 -7.263 18.246 1.567 1.00 0.00 O ATOM 944 CB SER A 57 -6.026 15.409 0.589 1.00 0.00 C ATOM 945 OG SER A 57 -4.926 15.030 -0.207 1.00 0.00 O ATOM 0 H SER A 57 -4.721 14.836 2.560 1.00 0.00 H new ATOM 0 HA SER A 57 -4.983 17.228 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.428 14.533 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.820 15.800 -0.047 1.00 0.00 H new ATOM 0 HG SER A 57 -5.210 14.353 -0.856 1.00 0.00 H new ATOM 951 N ASP A 58 -7.475 16.716 3.241 1.00 0.00 N ATOM 952 CA ASP A 58 -8.688 17.311 3.833 1.00 0.00 C ATOM 953 C ASP A 58 -8.365 18.711 4.390 1.00 0.00 C ATOM 954 O ASP A 58 -9.123 19.667 4.197 1.00 0.00 O ATOM 955 CB ASP A 58 -9.241 16.397 4.954 1.00 0.00 C ATOM 956 CG ASP A 58 -10.651 16.792 5.435 1.00 0.00 C ATOM 957 OD1 ASP A 58 -10.783 17.663 6.310 1.00 0.00 O ATOM 958 OD2 ASP A 58 -11.642 16.225 4.928 1.00 0.00 O ATOM 0 H ASP A 58 -7.135 15.892 3.737 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.451 17.407 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.264 15.368 4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.557 16.422 5.802 1.00 0.00 H new ATOM 963 N TYR A 59 -7.192 18.812 5.037 1.00 0.00 N ATOM 964 CA TYR A 59 -6.704 20.061 5.637 1.00 0.00 C ATOM 965 C TYR A 59 -5.932 20.944 4.621 1.00 0.00 C ATOM 966 O TYR A 59 -5.254 21.902 5.026 1.00 0.00 O ATOM 967 CB TYR A 59 -5.803 19.726 6.843 1.00 0.00 C ATOM 968 CG TYR A 59 -6.573 19.388 8.115 1.00 0.00 C ATOM 969 CD1 TYR A 59 -7.316 20.374 8.756 1.00 0.00 C ATOM 970 CD2 TYR A 59 -6.551 18.119 8.682 1.00 0.00 C ATOM 971 CE1 TYR A 59 -8.002 20.124 9.910 1.00 0.00 C ATOM 972 CE2 TYR A 59 -7.235 17.867 9.841 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.958 18.878 10.452 1.00 0.00 C ATOM 974 OH TYR A 59 -8.650 18.630 11.614 1.00 0.00 O ATOM 0 H TYR A 59 -6.554 18.025 5.158 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.570 20.637 5.962 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.163 18.883 6.583 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.148 20.574 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.351 21.365 8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.991 17.328 8.206 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.573 20.907 10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.211 16.880 10.279 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.200 19.072 12.364 1.00 0.00 H new ATOM 984 N ASN A 60 -6.045 20.605 3.314 1.00 0.00 N ATOM 985 CA ASN A 60 -5.400 21.340 2.193 1.00 0.00 C ATOM 986 C ASN A 60 -3.866 21.139 2.204 1.00 0.00 C ATOM 987 O ASN A 60 -3.107 21.979 1.714 1.00 0.00 O ATOM 988 CB ASN A 60 -5.783 22.862 2.184 1.00 0.00 C ATOM 989 CG ASN A 60 -7.270 23.153 1.925 1.00 0.00 C ATOM 990 OD1 ASN A 60 -7.614 24.112 1.235 1.00 0.00 O ATOM 991 ND2 ASN A 60 -8.167 22.379 2.528 1.00 0.00 N ATOM 0 H ASN A 60 -6.593 19.803 3.002 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.785 20.915 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.504 23.298 3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.191 23.366 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.162 22.575 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.860 21.589 3.095 1.00 0.00 H new ATOM 998 N ILE A 61 -3.435 19.992 2.744 1.00 0.00 N ATOM 999 CA ILE A 61 -2.021 19.571 2.764 1.00 0.00 C ATOM 1000 C ILE A 61 -1.801 18.569 1.619 1.00 0.00 C ATOM 1001 O ILE A 61 -2.686 17.766 1.305 1.00 0.00 O ATOM 1002 CB ILE A 61 -1.657 18.868 4.128 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -2.233 19.661 5.335 1.00 0.00 C ATOM 1004 CG2 ILE A 61 -0.127 18.656 4.287 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -2.341 18.859 6.617 1.00 0.00 C ATOM 0 H ILE A 61 -4.062 19.320 3.185 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.388 20.451 2.649 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.120 17.881 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.602 20.531 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.222 20.035 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.076 18.169 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.240 18.029 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.379 19.621 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.752 19.488 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.997 18.003 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.352 18.508 6.911 1.00 0.00 H new ATOM 1017 N GLN A 62 -0.627 18.611 1.011 1.00 0.00 N ATOM 1018 CA GLN A 62 -0.221 17.645 -0.019 1.00 0.00 C ATOM 1019 C GLN A 62 1.216 17.198 0.262 1.00 0.00 C ATOM 1020 O GLN A 62 1.802 17.571 1.294 1.00 0.00 O ATOM 1021 CB GLN A 62 -0.338 18.276 -1.435 1.00 0.00 C ATOM 1022 CG GLN A 62 0.559 19.511 -1.667 1.00 0.00 C ATOM 1023 CD GLN A 62 0.716 19.860 -3.141 1.00 0.00 C ATOM 1024 OE1 GLN A 62 -0.045 20.652 -3.697 1.00 0.00 O ATOM 1025 NE2 GLN A 62 1.697 19.245 -3.786 1.00 0.00 N ATOM 0 H GLN A 62 0.081 19.317 1.213 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.881 16.778 0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.088 17.518 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.376 18.561 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.136 20.366 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.543 19.326 -1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.306 18.595 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.843 19.421 -4.780 1.00 0.00 H new ATOM 1034 N LYS A 63 1.794 16.409 -0.658 1.00 0.00 N ATOM 1035 CA LYS A 63 3.191 15.990 -0.538 1.00 0.00 C ATOM 1036 C LYS A 63 4.131 17.211 -0.591 1.00 0.00 C ATOM 1037 O LYS A 63 3.818 18.225 -1.239 1.00 0.00 O ATOM 1038 CB LYS A 63 3.588 14.969 -1.619 1.00 0.00 C ATOM 1039 CG LYS A 63 3.640 15.512 -3.068 1.00 0.00 C ATOM 1040 CD LYS A 63 4.369 14.548 -4.034 1.00 0.00 C ATOM 1041 CE LYS A 63 5.824 14.279 -3.609 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.533 13.394 -4.562 1.00 0.00 N ATOM 0 H LYS A 63 1.316 16.053 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 63 3.294 15.500 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.568 14.563 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.882 14.140 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.625 15.682 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.145 16.478 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.826 13.604 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.359 14.969 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.358 15.226 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.833 13.824 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.508 13.241 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.040 12.480 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.549 13.838 -5.502 1.00 0.00 H new ATOM 1056 N GLU A 64 5.243 17.105 0.154 1.00 0.00 N ATOM 1057 CA GLU A 64 6.305 18.119 0.244 1.00 0.00 C ATOM 1058 C GLU A 64 5.829 19.402 0.974 1.00 0.00 C ATOM 1059 O GLU A 64 6.588 20.376 1.055 1.00 0.00 O ATOM 1060 CB GLU A 64 6.913 18.448 -1.160 1.00 0.00 C ATOM 1061 CG GLU A 64 7.471 17.235 -1.945 1.00 0.00 C ATOM 1062 CD GLU A 64 8.667 16.537 -1.270 1.00 0.00 C ATOM 1063 OE1 GLU A 64 8.460 15.626 -0.438 1.00 0.00 O ATOM 1064 OE2 GLU A 64 9.828 16.892 -1.582 1.00 0.00 O ATOM 0 H GLU A 64 5.433 16.284 0.729 1.00 0.00 H new ATOM 0 HA GLU A 64 7.101 17.686 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.145 18.929 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.715 19.174 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.671 16.507 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.773 17.568 -2.938 1.00 0.00 H new ATOM 1071 N SER A 65 4.584 19.398 1.526 1.00 0.00 N ATOM 1072 CA SER A 65 4.078 20.524 2.323 1.00 0.00 C ATOM 1073 C SER A 65 4.789 20.570 3.683 1.00 0.00 C ATOM 1074 O SER A 65 5.042 19.520 4.295 1.00 0.00 O ATOM 1075 CB SER A 65 2.553 20.406 2.520 1.00 0.00 C ATOM 1076 OG SER A 65 1.871 20.452 1.275 1.00 0.00 O ATOM 0 H SER A 65 3.924 18.626 1.428 1.00 0.00 H new ATOM 0 HA SER A 65 4.285 21.450 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.321 19.472 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.202 21.215 3.160 1.00 0.00 H new ATOM 0 HG SER A 65 1.080 21.024 1.356 1.00 0.00 H new ATOM 1082 N THR A 66 5.129 21.786 4.123 1.00 0.00 N ATOM 1083 CA THR A 66 5.794 22.014 5.404 1.00 0.00 C ATOM 1084 C THR A 66 4.755 22.478 6.436 1.00 0.00 C ATOM 1085 O THR A 66 4.124 23.532 6.272 1.00 0.00 O ATOM 1086 CB THR A 66 6.943 23.056 5.263 1.00 0.00 C ATOM 1087 OG1 THR A 66 7.789 22.688 4.155 1.00 0.00 O ATOM 1088 CG2 THR A 66 7.799 23.141 6.541 1.00 0.00 C ATOM 0 H THR A 66 4.949 22.641 3.597 1.00 0.00 H new ATOM 0 HA THR A 66 6.245 21.081 5.742 1.00 0.00 H new ATOM 0 HB THR A 66 6.489 24.032 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.512 23.343 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.589 23.879 6.401 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.170 23.437 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.244 22.167 6.746 1.00 0.00 H new ATOM 1096 N LEU A 67 4.575 21.666 7.480 1.00 0.00 N ATOM 1097 CA LEU A 67 3.593 21.898 8.545 1.00 0.00 C ATOM 1098 C LEU A 67 4.313 21.974 9.897 1.00 0.00 C ATOM 1099 O LEU A 67 5.268 21.233 10.144 1.00 0.00 O ATOM 1100 CB LEU A 67 2.472 20.807 8.551 1.00 0.00 C ATOM 1101 CG LEU A 67 2.899 19.301 8.478 1.00 0.00 C ATOM 1102 CD1 LEU A 67 1.786 18.381 9.024 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.269 18.864 7.037 1.00 0.00 C ATOM 0 H LEU A 67 5.117 20.812 7.613 1.00 0.00 H new ATOM 0 HA LEU A 67 3.095 22.849 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.882 20.942 9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.810 21.006 7.708 1.00 0.00 H new ATOM 0 HG LEU A 67 3.788 19.203 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.109 17.342 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.581 18.635 10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.880 18.515 8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.558 17.813 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.409 19.003 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.101 19.469 6.676 1.00 0.00 H new ATOM 1115 N HIS A 68 3.828 22.881 10.761 1.00 0.00 N ATOM 1116 CA HIS A 68 4.448 23.177 12.061 1.00 0.00 C ATOM 1117 C HIS A 68 4.117 22.100 13.105 1.00 0.00 C ATOM 1118 O HIS A 68 2.953 21.731 13.303 1.00 0.00 O ATOM 1119 CB HIS A 68 4.001 24.565 12.570 1.00 0.00 C ATOM 1120 CG HIS A 68 4.617 25.717 11.819 1.00 0.00 C ATOM 1121 ND1 HIS A 68 4.017 26.332 10.742 1.00 0.00 N ATOM 1122 CD2 HIS A 68 5.787 26.374 12.015 1.00 0.00 C ATOM 1123 CE1 HIS A 68 4.787 27.316 10.318 1.00 0.00 C ATOM 1124 NE2 HIS A 68 5.866 27.364 11.071 1.00 0.00 N ATOM 0 H HIS A 68 2.990 23.432 10.575 1.00 0.00 H new ATOM 0 HA HIS A 68 5.528 23.181 11.915 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.916 24.636 12.498 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.257 24.654 13.626 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.522 26.157 12.776 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.568 27.974 9.490 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.633 28.028 10.969 1.00 0.00 H new ATOM 1133 N LEU A 69 5.171 21.620 13.761 1.00 0.00 N ATOM 1134 CA LEU A 69 5.095 20.680 14.873 1.00 0.00 C ATOM 1135 C LEU A 69 5.343 21.471 16.158 1.00 0.00 C ATOM 1136 O LEU A 69 6.326 22.221 16.260 1.00 0.00 O ATOM 1137 CB LEU A 69 6.159 19.560 14.676 1.00 0.00 C ATOM 1138 CG LEU A 69 6.016 18.245 15.519 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.358 18.450 17.005 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.612 17.634 15.344 1.00 0.00 C ATOM 0 H LEU A 69 6.128 21.883 13.526 1.00 0.00 H new ATOM 0 HA LEU A 69 4.119 20.198 14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.158 19.282 13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.138 19.989 14.892 1.00 0.00 H new ATOM 0 HG LEU A 69 6.750 17.538 15.132 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.241 17.507 17.539 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.388 18.794 17.097 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.687 19.195 17.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.535 16.723 15.937 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.860 18.349 15.678 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.447 17.397 14.293 1.00 0.00 H new ATOM 1152 N VAL A 70 4.447 21.298 17.130 1.00 0.00 N ATOM 1153 CA VAL A 70 4.548 21.945 18.438 1.00 0.00 C ATOM 1154 C VAL A 70 4.834 20.898 19.517 1.00 0.00 C ATOM 1155 O VAL A 70 4.060 19.959 19.710 1.00 0.00 O ATOM 1156 CB VAL A 70 3.244 22.734 18.784 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.359 23.391 20.182 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.930 23.776 17.674 1.00 0.00 C ATOM 0 H VAL A 70 3.626 20.701 17.031 1.00 0.00 H new ATOM 0 HA VAL A 70 5.371 22.659 18.401 1.00 0.00 H new ATOM 0 HB VAL A 70 2.408 22.036 18.823 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.441 23.936 20.405 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.514 22.619 20.935 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.202 24.082 20.191 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.019 24.317 17.930 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.758 24.479 17.590 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.792 23.263 16.722 1.00 0.00 H new ATOM 1168 N LEU A 71 5.955 21.083 20.207 1.00 0.00 N ATOM 1169 CA LEU A 71 6.403 20.190 21.278 1.00 0.00 C ATOM 1170 C LEU A 71 5.720 20.524 22.613 1.00 0.00 C ATOM 1171 O LEU A 71 5.230 21.640 22.808 1.00 0.00 O ATOM 1172 CB LEU A 71 7.934 20.299 21.408 1.00 0.00 C ATOM 1173 CG LEU A 71 8.748 19.817 20.173 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.255 20.081 20.370 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.461 18.321 19.884 1.00 0.00 C ATOM 0 H LEU A 71 6.587 21.865 20.039 1.00 0.00 H new ATOM 0 HA LEU A 71 6.126 19.167 21.025 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.191 21.339 21.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.249 19.721 22.277 1.00 0.00 H new ATOM 0 HG LEU A 71 8.430 20.390 19.302 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.803 19.735 19.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.423 21.150 20.505 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.606 19.545 21.252 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.039 18.001 19.017 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.744 17.722 20.750 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.398 18.187 19.682 1.00 0.00 H new ATOM 1187 N ARG A 72 5.669 19.521 23.511 1.00 0.00 N ATOM 1188 CA ARG A 72 5.141 19.675 24.885 1.00 0.00 C ATOM 1189 C ARG A 72 6.156 19.137 25.914 1.00 0.00 C ATOM 1190 O ARG A 72 6.412 19.777 26.936 1.00 0.00 O ATOM 1191 CB ARG A 72 3.790 18.924 25.044 1.00 0.00 C ATOM 1192 CG ARG A 72 2.657 19.403 24.115 1.00 0.00 C ATOM 1193 CD ARG A 72 1.305 18.767 24.461 1.00 0.00 C ATOM 1194 NE ARG A 72 0.254 19.104 23.479 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.906 19.731 23.755 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -1.148 20.210 24.972 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -1.810 19.892 22.800 1.00 0.00 N ATOM 0 H ARG A 72 5.994 18.576 23.305 1.00 0.00 H new ATOM 0 HA ARG A 72 4.976 20.737 25.065 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.960 17.862 24.865 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.457 19.024 26.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.572 20.488 24.181 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.913 19.165 23.083 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.418 17.684 24.510 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.993 19.100 25.451 1.00 0.00 H new ATOM 0 HE ARG A 72 0.421 18.839 22.508 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.451 20.105 25.709 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.030 20.683 25.168 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.626 19.542 21.860 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.690 20.366 23.005 1.00 0.00 H new ATOM 1211 N LEU A 73 6.683 17.920 25.634 1.00 0.00 N ATOM 1212 CA LEU A 73 7.648 17.191 26.505 1.00 0.00 C ATOM 1213 C LEU A 73 7.160 17.088 27.970 1.00 0.00 C ATOM 1214 O LEU A 73 7.958 17.087 28.913 1.00 0.00 O ATOM 1215 CB LEU A 73 9.094 17.788 26.392 1.00 0.00 C ATOM 1216 CG LEU A 73 9.911 17.409 25.103 1.00 0.00 C ATOM 1217 CD1 LEU A 73 10.076 15.879 24.962 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.298 18.018 23.830 1.00 0.00 C ATOM 0 H LEU A 73 6.448 17.406 24.785 1.00 0.00 H new ATOM 0 HA LEU A 73 7.700 16.167 26.135 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.019 18.874 26.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.664 17.468 27.264 1.00 0.00 H new ATOM 0 HG LEU A 73 10.904 17.841 25.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.646 15.656 24.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.605 15.489 25.831 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.094 15.412 24.895 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.895 17.730 22.965 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.279 17.652 23.706 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.285 19.105 23.916 1.00 0.00 H new ATOM 1358 N LYS B 201 11.678 27.925 24.820 1.00 0.00 N ATOM 1359 CA LYS B 201 11.144 29.179 24.271 1.00 0.00 C ATOM 1360 C LYS B 201 10.941 29.000 22.761 1.00 0.00 C ATOM 1361 O LYS B 201 11.883 28.684 22.021 1.00 0.00 O ATOM 1362 CB LYS B 201 12.118 30.331 24.593 1.00 0.00 C ATOM 1363 CG LYS B 201 12.303 30.545 26.110 1.00 0.00 C ATOM 1364 CD LYS B 201 13.534 31.397 26.436 1.00 0.00 C ATOM 1365 CE LYS B 201 13.746 31.551 27.940 1.00 0.00 C ATOM 1366 NZ LYS B 201 12.660 32.326 28.588 1.00 0.00 N ATOM 0 HA LYS B 201 10.182 29.428 24.719 1.00 0.00 H new ATOM 0 HB2 LYS B 201 13.086 30.121 24.139 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.748 31.252 24.142 1.00 0.00 H new ATOM 0 HG2 LYS B 201 11.414 31.026 26.517 1.00 0.00 H new ATOM 0 HG3 LYS B 201 12.395 29.577 26.602 1.00 0.00 H new ATOM 0 HD2 LYS B 201 14.418 30.940 25.991 1.00 0.00 H new ATOM 0 HD3 LYS B 201 13.422 32.382 25.984 1.00 0.00 H new ATOM 0 HE2 LYS B 201 13.808 30.564 28.398 1.00 0.00 H new ATOM 0 HE3 LYS B 201 14.700 32.046 28.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 12.891 32.476 29.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 12.560 33.247 28.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 11.766 31.800 28.514 1.00 0.00 H new ATOM 1380 N VAL B 202 9.701 29.201 22.323 1.00 0.00 N ATOM 1381 CA VAL B 202 9.230 28.863 20.968 1.00 0.00 C ATOM 1382 C VAL B 202 8.237 29.932 20.486 1.00 0.00 C ATOM 1383 O VAL B 202 7.953 30.888 21.206 1.00 0.00 O ATOM 1384 CB VAL B 202 8.545 27.437 20.957 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.578 26.287 21.074 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.485 27.330 22.079 1.00 0.00 C ATOM 0 H VAL B 202 8.973 29.612 22.908 1.00 0.00 H new ATOM 0 HA VAL B 202 10.086 28.836 20.293 1.00 0.00 H new ATOM 0 HB VAL B 202 8.050 27.329 19.992 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.059 25.329 21.062 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.272 26.334 20.235 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.131 26.388 22.008 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.026 26.341 22.053 1.00 0.00 H new ATOM 0 HG22 VAL B 202 7.963 27.483 23.047 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.718 28.090 21.929 1.00 0.00 H new ATOM 1396 N ASP B 203 7.722 29.770 19.264 1.00 0.00 N ATOM 1397 CA ASP B 203 6.756 30.717 18.666 1.00 0.00 C ATOM 1398 C ASP B 203 5.429 30.017 18.360 1.00 0.00 C ATOM 1399 O ASP B 203 5.413 28.856 17.960 1.00 0.00 O ATOM 1400 CB ASP B 203 7.341 31.366 17.382 1.00 0.00 C ATOM 1401 CG ASP B 203 8.465 32.377 17.685 1.00 0.00 C ATOM 1402 OD1 ASP B 203 9.605 31.953 17.969 1.00 0.00 O ATOM 1403 OD2 ASP B 203 8.204 33.603 17.653 1.00 0.00 O ATOM 0 H ASP B 203 7.957 28.984 18.657 1.00 0.00 H new ATOM 0 HA ASP B 203 6.566 31.509 19.391 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.728 30.584 16.729 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.542 31.870 16.838 1.00 0.00 H new ATOM 1408 N CYS B 204 4.323 30.745 18.578 1.00 0.00 N ATOM 1409 CA CYS B 204 2.957 30.293 18.267 1.00 0.00 C ATOM 1410 C CYS B 204 2.740 30.393 16.749 1.00 0.00 C ATOM 1411 O CYS B 204 2.574 31.495 16.250 1.00 0.00 O ATOM 1412 CB CYS B 204 1.945 31.164 19.050 1.00 0.00 C ATOM 1413 SG CYS B 204 0.178 30.742 18.874 1.00 0.00 S ATOM 0 H CYS B 204 4.353 31.681 18.982 1.00 0.00 H new ATOM 0 HA CYS B 204 2.809 29.256 18.567 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.202 31.113 20.108 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.078 32.200 18.739 1.00 0.00 H new ATOM 0 HG CYS B 204 -0.531 31.509 19.648 1.00 0.00 H new ATOM 1418 N PRO B 205 2.748 29.246 15.988 1.00 0.00 N ATOM 1419 CA PRO B 205 2.789 29.246 14.488 1.00 0.00 C ATOM 1420 C PRO B 205 1.578 29.923 13.806 1.00 0.00 C ATOM 1421 O PRO B 205 1.608 30.186 12.599 1.00 0.00 O ATOM 1422 CB PRO B 205 2.844 27.730 14.144 1.00 0.00 C ATOM 1423 CG PRO B 205 2.257 27.045 15.337 1.00 0.00 C ATOM 1424 CD PRO B 205 2.726 27.855 16.515 1.00 0.00 C ATOM 0 HA PRO B 205 3.633 29.830 14.121 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.275 27.509 13.241 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.868 27.402 13.964 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.169 27.019 15.283 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.597 26.012 15.407 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.050 27.758 17.365 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.712 27.538 16.854 1.00 0.00 H new ATOM 1432 N VAL B 206 0.525 30.184 14.589 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.727 30.757 14.084 1.00 0.00 C ATOM 1434 C VAL B 206 -0.632 32.305 14.045 1.00 0.00 C ATOM 1435 O VAL B 206 -0.711 32.910 12.970 1.00 0.00 O ATOM 1436 CB VAL B 206 -1.953 30.300 14.964 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.289 30.597 14.246 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -1.849 28.802 15.369 1.00 0.00 C ATOM 0 H VAL B 206 0.518 30.003 15.593 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.886 30.390 13.070 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.929 30.882 15.885 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.119 30.273 14.873 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.372 31.668 14.060 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.320 30.060 13.298 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.713 28.528 15.974 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -1.823 28.183 14.472 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -0.937 28.643 15.945 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.430 32.936 15.227 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.408 34.422 15.357 1.00 0.00 C ATOM 1450 C CYS B 207 1.036 34.985 15.408 1.00 0.00 C ATOM 1451 O CYS B 207 1.226 36.201 15.426 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.196 34.865 16.613 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.408 34.425 18.192 1.00 0.00 S ATOM 0 H CYS B 207 -0.279 32.443 16.107 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.887 34.830 14.467 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.332 35.946 16.578 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.189 34.417 16.580 1.00 0.00 H new ATOM 0 HG CYS B 207 -0.301 33.132 18.278 1.00 0.00 H new ATOM 1458 N GLY B 208 2.035 34.082 15.447 1.00 0.00 N ATOM 1459 CA GLY B 208 3.464 34.446 15.367 1.00 0.00 C ATOM 1460 C GLY B 208 4.006 35.211 16.577 1.00 0.00 C ATOM 1461 O GLY B 208 4.728 36.200 16.412 1.00 0.00 O ATOM 0 H GLY B 208 1.874 33.079 15.535 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.049 33.535 15.241 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.620 35.051 14.474 1.00 0.00 H new ATOM 1465 N VAL B 209 3.672 34.754 17.797 1.00 0.00 N ATOM 1466 CA VAL B 209 4.147 35.392 19.055 1.00 0.00 C ATOM 1467 C VAL B 209 5.085 34.430 19.825 1.00 0.00 C ATOM 1468 O VAL B 209 4.779 33.241 19.964 1.00 0.00 O ATOM 1469 CB VAL B 209 2.937 35.859 19.968 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.001 36.837 19.210 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.131 34.666 20.537 1.00 0.00 C ATOM 0 H VAL B 209 3.073 33.942 17.947 1.00 0.00 H new ATOM 0 HA VAL B 209 4.710 36.285 18.786 1.00 0.00 H new ATOM 0 HB VAL B 209 3.376 36.387 20.815 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.182 37.138 19.864 1.00 0.00 H new ATOM 0 HG12 VAL B 209 2.565 37.719 18.906 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.597 36.343 18.327 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.315 35.040 21.155 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.724 34.077 19.715 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.786 34.040 21.142 1.00 0.00 H new ATOM 1481 N ASN B 210 6.240 34.942 20.298 1.00 0.00 N ATOM 1482 CA ASN B 210 7.229 34.139 21.054 1.00 0.00 C ATOM 1483 C ASN B 210 6.808 34.031 22.529 1.00 0.00 C ATOM 1484 O ASN B 210 6.645 35.045 23.210 1.00 0.00 O ATOM 1485 CB ASN B 210 8.657 34.723 20.936 1.00 0.00 C ATOM 1486 CG ASN B 210 9.710 33.854 21.641 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.062 34.086 22.796 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.169 32.808 20.972 1.00 0.00 N ATOM 0 H ASN B 210 6.514 35.916 20.169 1.00 0.00 H new ATOM 0 HA ASN B 210 7.251 33.141 20.616 1.00 0.00 H new ATOM 0 HB2 ASN B 210 8.919 34.822 19.883 1.00 0.00 H new ATOM 0 HB3 ASN B 210 8.672 35.725 21.364 1.00 0.00 H new ATOM 0 HD21 ASN B 210 10.832 32.171 21.414 1.00 0.00 H new ATOM 0 HD22 ASN B 210 9.860 32.639 20.015 1.00 0.00 H new ATOM 1495 N ILE B 211 6.653 32.786 22.991 1.00 0.00 N ATOM 1496 CA ILE B 211 6.111 32.418 24.314 1.00 0.00 C ATOM 1497 C ILE B 211 6.754 31.078 24.767 1.00 0.00 C ATOM 1498 O ILE B 211 7.293 30.347 23.926 1.00 0.00 O ATOM 1499 CB ILE B 211 4.533 32.278 24.244 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.124 31.453 22.979 1.00 0.00 C ATOM 1501 CG2 ILE B 211 3.824 33.658 24.284 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.639 31.414 22.697 1.00 0.00 C ATOM 0 H ILE B 211 6.910 31.970 22.435 1.00 0.00 H new ATOM 0 HA ILE B 211 6.349 33.199 25.036 1.00 0.00 H new ATOM 0 HB ILE B 211 4.201 31.738 25.130 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.633 31.871 22.110 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.483 30.431 23.098 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.745 33.514 24.234 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.079 34.171 25.211 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.150 34.259 23.435 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.454 30.820 21.802 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.119 30.966 23.544 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.271 32.428 22.541 1.00 0.00 H new ATOM 1514 N PRO B 212 6.747 30.740 26.103 1.00 0.00 N ATOM 1515 CA PRO B 212 7.224 29.419 26.588 1.00 0.00 C ATOM 1516 C PRO B 212 6.377 28.255 26.028 1.00 0.00 C ATOM 1517 O PRO B 212 5.228 28.448 25.641 1.00 0.00 O ATOM 1518 CB PRO B 212 7.102 29.525 28.134 1.00 0.00 C ATOM 1519 CG PRO B 212 6.110 30.624 28.364 1.00 0.00 C ATOM 1520 CD PRO B 212 6.326 31.610 27.237 1.00 0.00 C ATOM 0 HA PRO B 212 8.240 29.201 26.260 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.760 28.586 28.569 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.063 29.757 28.592 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.090 30.239 28.358 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.267 31.097 29.334 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.416 32.163 27.005 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.091 32.346 27.486 1.00 0.00 H new ATOM 1528 N GLU B 213 6.973 27.056 26.015 1.00 0.00 N ATOM 1529 CA GLU B 213 6.389 25.830 25.426 1.00 0.00 C ATOM 1530 C GLU B 213 5.052 25.429 26.115 1.00 0.00 C ATOM 1531 O GLU B 213 4.123 24.900 25.475 1.00 0.00 O ATOM 1532 CB GLU B 213 7.459 24.708 25.499 1.00 0.00 C ATOM 1533 CG GLU B 213 7.130 23.400 24.768 1.00 0.00 C ATOM 1534 CD GLU B 213 8.268 22.372 24.886 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.398 21.745 25.960 1.00 0.00 O ATOM 1536 OE2 GLU B 213 9.060 22.215 23.931 1.00 0.00 O ATOM 0 H GLU B 213 7.896 26.901 26.421 1.00 0.00 H new ATOM 0 HA GLU B 213 6.125 26.009 24.384 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.392 25.100 25.094 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.639 24.476 26.549 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.214 22.976 25.179 1.00 0.00 H new ATOM 0 HG3 GLU B 213 6.940 23.611 23.716 1.00 0.00 H new ATOM 1543 N SER B 214 4.944 25.739 27.409 1.00 0.00 N ATOM 1544 CA SER B 214 3.704 25.552 28.175 1.00 0.00 C ATOM 1545 C SER B 214 2.579 26.466 27.611 1.00 0.00 C ATOM 1546 O SER B 214 1.485 25.998 27.224 1.00 0.00 O ATOM 1547 CB SER B 214 4.006 25.879 29.657 1.00 0.00 C ATOM 1548 OG SER B 214 4.649 27.143 29.774 1.00 0.00 O ATOM 0 H SER B 214 5.712 26.127 27.957 1.00 0.00 H new ATOM 0 HA SER B 214 3.353 24.523 28.093 1.00 0.00 H new ATOM 0 HB2 SER B 214 3.079 25.883 30.230 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.640 25.102 30.084 1.00 0.00 H new ATOM 0 HG SER B 214 4.830 27.332 30.718 1.00 0.00 H new ATOM 1554 N HIS B 215 2.913 27.763 27.467 1.00 0.00 N ATOM 1555 CA HIS B 215 1.964 28.795 27.004 1.00 0.00 C ATOM 1556 C HIS B 215 1.798 28.786 25.479 1.00 0.00 C ATOM 1557 O HIS B 215 0.891 29.455 24.967 1.00 0.00 O ATOM 1558 CB HIS B 215 2.396 30.202 27.494 1.00 0.00 C ATOM 1559 CG HIS B 215 2.265 30.414 28.977 1.00 0.00 C ATOM 1560 ND1 HIS B 215 2.929 31.410 29.649 1.00 0.00 N ATOM 1561 CD2 HIS B 215 1.523 29.769 29.910 1.00 0.00 C ATOM 1562 CE1 HIS B 215 2.604 31.372 30.922 1.00 0.00 C ATOM 1563 NE2 HIS B 215 1.754 30.388 31.110 1.00 0.00 N ATOM 0 H HIS B 215 3.845 28.124 27.668 1.00 0.00 H new ATOM 0 HA HIS B 215 0.994 28.554 27.439 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.434 30.370 27.206 1.00 0.00 H new ATOM 0 HB3 HIS B 215 1.797 30.952 26.978 1.00 0.00 H new ATOM 0 HD2 HIS B 215 0.871 28.925 29.739 1.00 0.00 H new ATOM 0 HE1 HIS B 215 2.974 32.039 31.687 1.00 0.00 H new ATOM 0 HE2 HIS B 215 1.335 30.128 32.003 1.00 0.00 H new ATOM 1572 N ILE B 216 2.662 28.043 24.751 1.00 0.00 N ATOM 1573 CA ILE B 216 2.532 27.922 23.292 1.00 0.00 C ATOM 1574 C ILE B 216 1.345 27.009 22.995 1.00 0.00 C ATOM 1575 O ILE B 216 0.463 27.394 22.226 1.00 0.00 O ATOM 1576 CB ILE B 216 3.875 27.473 22.552 1.00 0.00 C ATOM 1577 CG1 ILE B 216 3.919 27.967 21.064 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.128 25.950 22.587 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.008 27.227 20.096 1.00 0.00 C ATOM 0 H ILE B 216 3.446 27.526 25.149 1.00 0.00 H new ATOM 0 HA ILE B 216 2.344 28.912 22.876 1.00 0.00 H new ATOM 0 HB ILE B 216 4.672 27.952 23.121 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.657 29.025 21.044 1.00 0.00 H new ATOM 0 HG13 ILE B 216 4.944 27.885 20.704 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.057 25.723 22.065 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.203 25.617 23.622 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.302 25.433 22.099 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.118 27.650 19.097 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.280 26.172 20.075 1.00 0.00 H new ATOM 0 HD13 ILE B 216 1.973 27.329 20.421 1.00 0.00 H new ATOM 1591 N ASN B 217 1.285 25.839 23.671 1.00 0.00 N ATOM 1592 CA ASN B 217 0.167 24.893 23.491 1.00 0.00 C ATOM 1593 C ASN B 217 -1.158 25.521 23.944 1.00 0.00 C ATOM 1594 O ASN B 217 -2.191 25.314 23.299 1.00 0.00 O ATOM 1595 CB ASN B 217 0.442 23.550 24.197 1.00 0.00 C ATOM 1596 CG ASN B 217 1.506 22.745 23.459 1.00 0.00 C ATOM 1597 OD1 ASN B 217 1.195 22.003 22.522 1.00 0.00 O ATOM 1598 ND2 ASN B 217 2.761 22.894 23.851 1.00 0.00 N ATOM 0 H ASN B 217 1.992 25.532 24.339 1.00 0.00 H new ATOM 0 HA ASN B 217 0.079 24.675 22.427 1.00 0.00 H new ATOM 0 HB2 ASN B 217 0.767 23.735 25.221 1.00 0.00 H new ATOM 0 HB3 ASN B 217 -0.480 22.971 24.255 1.00 0.00 H new ATOM 0 HD21 ASN B 217 3.508 22.387 23.375 1.00 0.00 H new ATOM 0 HD22 ASN B 217 2.982 23.516 24.629 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.092 26.328 25.020 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.238 27.133 25.487 1.00 0.00 C ATOM 1607 C LYS B 218 -2.749 28.081 24.372 1.00 0.00 C ATOM 1608 O LYS B 218 -3.948 28.067 24.006 1.00 0.00 O ATOM 1609 CB LYS B 218 -1.824 27.950 26.742 1.00 0.00 C ATOM 1610 CG LYS B 218 -2.938 28.834 27.356 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.194 28.033 27.760 1.00 0.00 C ATOM 1612 CE LYS B 218 -3.916 26.947 28.813 1.00 0.00 C ATOM 1613 NZ LYS B 218 -5.105 26.095 29.052 1.00 0.00 N ATOM 0 H LYS B 218 -0.251 26.440 25.586 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.052 26.457 25.747 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.471 27.257 27.506 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -0.981 28.589 26.477 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -2.544 29.347 28.233 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.221 29.603 26.637 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -4.945 28.721 28.149 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.619 27.566 26.871 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -3.084 26.325 28.483 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -3.612 27.417 29.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -4.878 25.375 29.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -5.892 26.684 29.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.380 25.627 28.165 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.806 28.864 23.812 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.104 29.879 22.788 1.00 0.00 C ATOM 1629 C HIS B 219 -2.699 29.231 21.543 1.00 0.00 C ATOM 1630 O HIS B 219 -3.481 29.856 20.853 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.833 30.704 22.410 1.00 0.00 C ATOM 1632 CG HIS B 219 -1.014 32.197 22.522 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -1.003 33.049 21.426 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -1.181 32.939 23.647 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -1.152 34.263 21.933 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -1.264 34.243 23.262 1.00 0.00 N ATOM 0 H HIS B 219 -0.818 28.809 24.058 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.837 30.565 23.213 1.00 0.00 H new ATOM 0 HB2 HIS B 219 -0.009 30.399 23.056 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.544 30.459 21.388 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -1.237 32.565 24.659 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -1.180 35.165 21.339 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -1.388 35.050 23.873 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.298 27.980 21.273 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.805 27.210 20.135 1.00 0.00 C ATOM 1646 C LEU B 220 -4.287 26.932 20.279 1.00 0.00 C ATOM 1647 O LEU B 220 -5.028 27.212 19.369 1.00 0.00 O ATOM 1648 CB LEU B 220 -2.047 25.889 19.985 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.555 26.039 19.638 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.149 24.692 19.683 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.358 26.764 18.289 1.00 0.00 C ATOM 0 H LEU B 220 -1.614 27.477 21.838 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.647 27.812 19.240 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.135 25.328 20.915 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.529 25.296 19.208 1.00 0.00 H new ATOM 0 HG LEU B 220 -0.091 26.669 20.397 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.202 24.823 19.434 1.00 0.00 H new ATOM 0 HD12 LEU B 220 0.063 24.270 20.684 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.312 24.016 18.963 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.707 26.853 18.076 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.841 26.194 17.495 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.801 27.758 18.342 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.698 26.411 21.444 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.115 26.064 21.714 1.00 0.00 C ATOM 1665 C ASP B 221 -7.042 27.281 21.540 1.00 0.00 C ATOM 1666 O ASP B 221 -8.228 27.133 21.217 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.267 25.464 23.127 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.699 24.044 23.236 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.407 23.082 22.871 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.536 23.876 23.638 1.00 0.00 O ATOM 0 H ASP B 221 -4.070 26.217 22.224 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.415 25.315 20.982 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.761 26.108 23.846 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.323 25.450 23.399 1.00 0.00 H new ATOM 1675 N SER B 222 -6.478 28.477 21.760 1.00 0.00 N ATOM 1676 CA SER B 222 -7.171 29.748 21.498 1.00 0.00 C ATOM 1677 C SER B 222 -7.118 30.095 19.991 1.00 0.00 C ATOM 1678 O SER B 222 -8.133 30.443 19.386 1.00 0.00 O ATOM 1679 CB SER B 222 -6.522 30.871 22.339 1.00 0.00 C ATOM 1680 OG SER B 222 -7.143 32.128 22.116 1.00 0.00 O ATOM 0 H SER B 222 -5.532 28.591 22.123 1.00 0.00 H new ATOM 0 HA SER B 222 -8.218 29.650 21.783 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.588 30.616 23.397 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.462 30.941 22.094 1.00 0.00 H new ATOM 0 HG SER B 222 -6.706 32.811 22.666 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.924 29.948 19.403 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.584 30.451 18.057 1.00 0.00 C ATOM 1688 C CYS B 223 -6.068 29.532 16.904 1.00 0.00 C ATOM 1689 O CYS B 223 -6.249 30.000 15.777 1.00 0.00 O ATOM 1690 CB CYS B 223 -4.055 30.698 17.992 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.527 32.165 18.952 1.00 0.00 S ATOM 0 H CYS B 223 -5.147 29.466 19.856 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.121 31.387 17.904 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.534 29.818 18.368 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.757 30.825 16.951 1.00 0.00 H new ATOM 0 HG CYS B 223 -3.301 31.819 20.185 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.287 28.232 17.194 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.732 27.234 16.190 1.00 0.00 C ATOM 1698 C LEU B 224 -8.260 27.230 16.133 1.00 0.00 C ATOM 1699 O LEU B 224 -8.852 26.809 15.137 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.137 25.809 16.501 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.612 25.054 17.809 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -7.939 24.276 17.629 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.508 24.113 18.339 1.00 0.00 C ATOM 0 H LEU B 224 -6.161 27.842 18.128 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.354 27.510 15.206 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.359 25.166 15.649 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.053 25.908 16.552 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.806 25.834 18.545 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.202 23.784 18.565 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.732 24.969 17.348 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -7.818 23.526 16.847 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -5.861 23.607 19.238 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.265 23.372 17.578 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.617 24.695 18.576 1.00 0.00 H new