USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 429 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 14 TYR OH : rot 180:sc= -0.65 USER MOD Set 1.2: A 42 ASN : amide:sc= -0.0357 X(o=-0.82,f=-0.79) USER MOD Set 1.3: A 43 ASN : amide:sc= -0.138 K(o=-0.82,f=-3.4!) USER MOD Set 2.1: A 16 GLN : amide:sc= 1.34 K(o=-0.17,f=-4.1!) USER MOD Set 2.2: A 21 CYS SG : rot -81:sc= -0.181 USER MOD Set 2.3: A 26 CYS SG : rot -167:sc= 0.225 USER MOD Set 2.4: A 28 ASN : amide:sc= -0.507 K(o=-0.17,f=-2.5!) USER MOD Set 2.5: A 31 CYS SG : rot -107:sc= 0.745 USER MOD Set 2.6: A 34 CYS SG : rot 51:sc= -2.89! USER MOD Set 2.7: A 60 CYS SG : rot 67:sc= 1.1 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00714 X(o=-0.0071,f=0) USER MOD Single : A 13 TYR OH : rot 13:sc= 0.0984 USER MOD Single : A 15 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.35) USER MOD Single : A 18 THR OG1 : rot -81:sc= 0.299 USER MOD Single : A 23 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.25) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -31:sc= 0.476 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 40 MET CE :methyl 163:sc= -0.0803 (180deg=-0.473) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.057) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= -0.97 (180deg=-3.25!) USER MOD Single : A 56 ASN : amide:sc= 0.0277 X(o=0.028,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 4 5.128 7.147 -3.036 1.00 0.00 N ATOM 65 CA ALA A 4 4.704 8.537 -2.776 1.00 0.00 C ATOM 66 C ALA A 4 5.454 9.502 -3.704 1.00 0.00 C ATOM 67 O ALA A 4 4.850 10.380 -4.329 1.00 0.00 O ATOM 68 CB ALA A 4 4.921 8.898 -1.297 1.00 0.00 C ATOM 0 HA ALA A 4 3.638 8.628 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.603 9.926 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.336 8.226 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.978 8.798 -1.049 1.00 0.00 H new ATOM 74 N ALA A 5 6.773 9.277 -3.817 1.00 0.00 N ATOM 75 CA ALA A 5 7.654 10.045 -4.707 1.00 0.00 C ATOM 76 C ALA A 5 7.283 9.817 -6.178 1.00 0.00 C ATOM 77 O ALA A 5 7.341 10.748 -6.974 1.00 0.00 O ATOM 78 CB ALA A 5 9.123 9.678 -4.454 1.00 0.00 C ATOM 0 H ALA A 5 7.260 8.552 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 5 7.520 11.104 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.762 10.256 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.381 9.903 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.270 8.614 -4.642 1.00 0.00 H new ATOM 84 N ALA A 6 6.873 8.573 -6.516 1.00 0.00 N ATOM 85 CA ALA A 6 6.443 8.199 -7.882 1.00 0.00 C ATOM 86 C ALA A 6 5.188 8.975 -8.299 1.00 0.00 C ATOM 87 O ALA A 6 5.154 9.543 -9.384 1.00 0.00 O ATOM 88 CB ALA A 6 6.190 6.690 -7.984 1.00 0.00 C ATOM 0 H ALA A 6 6.831 7.802 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 6 7.252 8.462 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.875 6.442 -8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.107 6.150 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.408 6.404 -7.281 1.00 0.00 H new ATOM 94 N LYS A 7 4.180 9.004 -7.405 1.00 0.00 N ATOM 95 CA LYS A 7 2.913 9.737 -7.622 1.00 0.00 C ATOM 96 C LYS A 7 3.183 11.233 -7.871 1.00 0.00 C ATOM 97 O LYS A 7 2.634 11.834 -8.800 1.00 0.00 O ATOM 98 CB LYS A 7 1.987 9.578 -6.382 1.00 0.00 C ATOM 99 CG LYS A 7 0.677 10.412 -6.446 1.00 0.00 C ATOM 100 CD LYS A 7 -0.137 10.370 -5.132 1.00 0.00 C ATOM 101 CE LYS A 7 -0.683 8.975 -4.798 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.367 8.949 -3.475 1.00 0.00 N ATOM 0 H LYS A 7 4.220 8.519 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 7 2.423 9.317 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.728 8.525 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.543 9.866 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.924 11.448 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.057 10.041 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.494 10.711 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.969 11.070 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.382 8.663 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.135 8.255 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.722 7.990 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.694 9.222 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.164 9.617 -3.483 1.00 0.00 H new ATOM 116 N HIS A 8 4.049 11.806 -7.019 1.00 0.00 N ATOM 117 CA HIS A 8 4.431 13.227 -7.085 1.00 0.00 C ATOM 118 C HIS A 8 5.265 13.529 -8.339 1.00 0.00 C ATOM 119 O HIS A 8 5.123 14.592 -8.912 1.00 0.00 O ATOM 120 CB HIS A 8 5.169 13.673 -5.787 1.00 0.00 C ATOM 121 CG HIS A 8 4.256 13.864 -4.600 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.205 15.030 -3.864 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.334 13.041 -4.044 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.305 14.908 -2.909 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.761 13.711 -3.000 1.00 0.00 N ATOM 0 H HIS A 8 4.505 11.296 -6.263 1.00 0.00 H new ATOM 0 HA HIS A 8 3.514 13.811 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.924 12.928 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.695 14.607 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.096 12.038 -4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.056 15.661 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.031 13.344 -2.390 1.00 0.00 H new ATOM 134 N LEU A 9 6.095 12.568 -8.772 1.00 0.00 N ATOM 135 CA LEU A 9 6.943 12.702 -9.985 1.00 0.00 C ATOM 136 C LEU A 9 6.066 12.728 -11.249 1.00 0.00 C ATOM 137 O LEU A 9 6.251 13.577 -12.122 1.00 0.00 O ATOM 138 CB LEU A 9 8.008 11.550 -10.038 1.00 0.00 C ATOM 139 CG LEU A 9 9.487 11.961 -9.756 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.084 12.704 -10.958 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.591 12.817 -8.478 1.00 0.00 C ATOM 0 H LEU A 9 6.203 11.672 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 9 7.484 13.647 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.722 10.786 -9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.964 11.088 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 9 10.063 11.050 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.115 12.981 -10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.060 12.056 -11.834 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.501 13.604 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.632 13.089 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.995 13.722 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.220 12.246 -7.627 1.00 0.00 H new ATOM 153 N ILE A 10 5.097 11.805 -11.300 1.00 0.00 N ATOM 154 CA ILE A 10 4.072 11.740 -12.358 1.00 0.00 C ATOM 155 C ILE A 10 3.246 13.046 -12.378 1.00 0.00 C ATOM 156 O ILE A 10 2.851 13.514 -13.442 1.00 0.00 O ATOM 157 CB ILE A 10 3.130 10.491 -12.132 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.946 9.156 -12.275 1.00 0.00 C ATOM 159 CG2 ILE A 10 1.894 10.496 -13.075 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.215 7.899 -11.822 1.00 0.00 C ATOM 0 H ILE A 10 4.999 11.071 -10.599 1.00 0.00 H new ATOM 0 HA ILE A 10 4.567 11.627 -13.322 1.00 0.00 H new ATOM 0 HB ILE A 10 2.743 10.559 -11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.233 9.034 -13.320 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.867 9.249 -11.700 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.282 9.616 -12.877 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.305 11.396 -12.898 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.228 10.480 -14.112 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.861 7.032 -11.961 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.952 7.991 -10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.308 7.773 -12.413 1.00 0.00 H new ATOM 172 N GLU A 11 3.031 13.625 -11.180 1.00 0.00 N ATOM 173 CA GLU A 11 2.282 14.881 -10.992 1.00 0.00 C ATOM 174 C GLU A 11 3.053 16.084 -11.576 1.00 0.00 C ATOM 175 O GLU A 11 2.450 16.985 -12.174 1.00 0.00 O ATOM 176 CB GLU A 11 1.986 15.099 -9.479 1.00 0.00 C ATOM 177 CG GLU A 11 0.969 16.212 -9.166 1.00 0.00 C ATOM 178 CD GLU A 11 -0.438 15.899 -9.706 1.00 0.00 C ATOM 179 OE1 GLU A 11 -1.180 15.153 -9.035 1.00 0.00 O ATOM 180 OE2 GLU A 11 -0.801 16.377 -10.808 1.00 0.00 O ATOM 0 H GLU A 11 3.377 13.228 -10.306 1.00 0.00 H new ATOM 0 HA GLU A 11 1.337 14.803 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.618 14.163 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.922 15.330 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.916 16.357 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.319 17.150 -9.597 1.00 0.00 H new ATOM 187 N ARG A 12 4.390 16.079 -11.404 1.00 0.00 N ATOM 188 CA ARG A 12 5.279 17.143 -11.923 1.00 0.00 C ATOM 189 C ARG A 12 5.348 17.073 -13.457 1.00 0.00 C ATOM 190 O ARG A 12 5.256 18.099 -14.147 1.00 0.00 O ATOM 191 CB ARG A 12 6.699 17.016 -11.311 1.00 0.00 C ATOM 192 CG ARG A 12 6.733 17.044 -9.777 1.00 0.00 C ATOM 193 CD ARG A 12 8.158 16.917 -9.206 1.00 0.00 C ATOM 194 NE ARG A 12 8.148 16.626 -7.764 1.00 0.00 N ATOM 195 CZ ARG A 12 9.234 16.375 -7.016 1.00 0.00 C ATOM 196 NH1 ARG A 12 10.457 16.526 -7.507 1.00 0.00 N ATOM 197 NH2 ARG A 12 9.096 16.025 -5.746 1.00 0.00 N ATOM 0 H ARG A 12 4.885 15.341 -10.903 1.00 0.00 H new ATOM 0 HA ARG A 12 4.868 18.110 -11.634 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.148 16.084 -11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.319 17.828 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.288 17.975 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.118 16.231 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.691 16.125 -9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.705 17.843 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 12 7.243 16.614 -7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.585 16.838 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.269 16.330 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.165 15.946 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.921 15.834 -5.177 1.00 0.00 H new ATOM 211 N TYR A 13 5.514 15.835 -13.972 1.00 0.00 N ATOM 212 CA TYR A 13 5.494 15.542 -15.419 1.00 0.00 C ATOM 213 C TYR A 13 4.127 15.916 -16.028 1.00 0.00 C ATOM 214 O TYR A 13 4.069 16.479 -17.107 1.00 0.00 O ATOM 215 CB TYR A 13 5.828 14.044 -15.700 1.00 0.00 C ATOM 216 CG TYR A 13 7.330 13.677 -15.649 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.219 14.176 -16.609 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.854 12.829 -14.670 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.561 13.838 -16.593 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.196 12.488 -14.654 1.00 0.00 C ATOM 221 CZ TYR A 13 10.046 12.997 -15.614 1.00 0.00 C ATOM 222 OH TYR A 13 11.382 12.652 -15.609 1.00 0.00 O ATOM 0 H TYR A 13 5.666 15.009 -13.393 1.00 0.00 H new ATOM 0 HA TYR A 13 6.265 16.150 -15.893 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.296 13.429 -14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.441 13.782 -16.685 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.850 14.838 -17.378 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.198 12.431 -13.910 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.227 14.232 -17.346 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.577 11.825 -13.891 1.00 0.00 H new ATOM 0 HH TYR A 13 11.873 13.238 -16.222 1.00 0.00 H new ATOM 232 N TYR A 14 3.040 15.636 -15.293 1.00 0.00 N ATOM 233 CA TYR A 14 1.663 15.931 -15.738 1.00 0.00 C ATOM 234 C TYR A 14 1.479 17.443 -15.936 1.00 0.00 C ATOM 235 O TYR A 14 1.001 17.889 -16.982 1.00 0.00 O ATOM 236 CB TYR A 14 0.628 15.392 -14.711 1.00 0.00 C ATOM 237 CG TYR A 14 -0.834 15.682 -15.086 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.417 15.065 -16.190 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.612 16.587 -14.355 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.719 15.330 -16.544 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.917 16.852 -14.710 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.464 16.223 -15.810 1.00 0.00 C ATOM 243 OH TYR A 14 -4.766 16.470 -16.170 1.00 0.00 O ATOM 0 H TYR A 14 3.087 15.199 -14.373 1.00 0.00 H new ATOM 0 HA TYR A 14 1.495 15.430 -16.691 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.759 14.315 -14.609 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.836 15.832 -13.736 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.838 14.368 -16.777 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.183 17.086 -13.499 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.157 14.836 -17.399 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.508 17.547 -14.131 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.158 17.123 -15.553 1.00 0.00 H new ATOM 253 N HIS A 15 1.906 18.208 -14.913 1.00 0.00 N ATOM 254 CA HIS A 15 1.858 19.682 -14.914 1.00 0.00 C ATOM 255 C HIS A 15 2.785 20.268 -15.991 1.00 0.00 C ATOM 256 O HIS A 15 2.601 21.405 -16.415 1.00 0.00 O ATOM 257 CB HIS A 15 2.211 20.257 -13.513 1.00 0.00 C ATOM 258 CG HIS A 15 1.246 19.880 -12.419 1.00 0.00 C ATOM 259 ND1 HIS A 15 1.557 19.973 -11.083 1.00 0.00 N ATOM 260 CD2 HIS A 15 -0.033 19.428 -12.463 1.00 0.00 C ATOM 261 CE1 HIS A 15 0.525 19.597 -10.362 1.00 0.00 C ATOM 262 NE2 HIS A 15 -0.458 19.259 -11.175 1.00 0.00 N ATOM 0 H HIS A 15 2.297 17.817 -14.056 1.00 0.00 H new ATOM 0 HA HIS A 15 0.836 19.976 -15.152 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.207 19.914 -13.235 1.00 0.00 H new ATOM 0 HB3 HIS A 15 2.256 21.344 -13.582 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.611 19.236 -13.355 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.487 19.569 -9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.380 18.928 -10.890 1.00 0.00 H new ATOM 271 N GLN A 16 3.792 19.487 -16.409 1.00 0.00 N ATOM 272 CA GLN A 16 4.704 19.873 -17.496 1.00 0.00 C ATOM 273 C GLN A 16 4.014 19.786 -18.875 1.00 0.00 C ATOM 274 O GLN A 16 4.186 20.684 -19.699 1.00 0.00 O ATOM 275 CB GLN A 16 5.989 19.010 -17.470 1.00 0.00 C ATOM 276 CG GLN A 16 6.978 19.311 -18.612 1.00 0.00 C ATOM 277 CD GLN A 16 8.289 18.547 -18.486 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.247 19.041 -17.895 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.343 17.343 -19.034 1.00 0.00 N ATOM 0 H GLN A 16 3.997 18.573 -16.005 1.00 0.00 H new ATOM 0 HA GLN A 16 4.985 20.913 -17.333 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.496 19.162 -16.517 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.707 17.958 -17.517 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.510 19.062 -19.564 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.188 20.380 -18.630 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.528 16.965 -19.517 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.200 16.793 -18.973 1.00 0.00 H new ATOM 288 N LEU A 17 3.233 18.722 -19.130 1.00 0.00 N ATOM 289 CA LEU A 17 2.543 18.551 -20.435 1.00 0.00 C ATOM 290 C LEU A 17 1.274 19.417 -20.537 1.00 0.00 C ATOM 291 O LEU A 17 0.883 19.814 -21.639 1.00 0.00 O ATOM 292 CB LEU A 17 2.192 17.064 -20.730 1.00 0.00 C ATOM 293 CG LEU A 17 3.357 16.110 -21.156 1.00 0.00 C ATOM 294 CD1 LEU A 17 4.203 16.704 -22.305 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.241 15.701 -19.973 1.00 0.00 C ATOM 0 H LEU A 17 3.060 17.971 -18.462 1.00 0.00 H new ATOM 0 HA LEU A 17 3.253 18.888 -21.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.727 16.646 -19.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.440 17.048 -21.519 1.00 0.00 H new ATOM 0 HG LEU A 17 2.883 15.203 -21.531 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.000 16.008 -22.568 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.568 16.874 -23.174 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.639 17.650 -21.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.034 15.039 -20.323 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.683 16.591 -19.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.636 15.182 -19.230 1.00 0.00 H new ATOM 307 N THR A 18 0.618 19.685 -19.396 1.00 0.00 N ATOM 308 CA THR A 18 -0.606 20.504 -19.361 1.00 0.00 C ATOM 309 C THR A 18 -0.259 22.008 -19.313 1.00 0.00 C ATOM 310 O THR A 18 -0.608 22.773 -20.228 1.00 0.00 O ATOM 311 CB THR A 18 -1.506 20.114 -18.140 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.738 20.184 -16.925 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.099 18.701 -18.280 1.00 0.00 C ATOM 0 H THR A 18 0.916 19.345 -18.482 1.00 0.00 H new ATOM 0 HA THR A 18 -1.165 20.308 -20.276 1.00 0.00 H new ATOM 0 HB THR A 18 -2.333 20.824 -18.110 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.204 19.368 -16.828 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.715 18.477 -17.409 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.711 18.651 -19.180 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.291 17.973 -18.350 1.00 0.00 H new ATOM 321 N GLU A 19 0.453 22.414 -18.245 1.00 0.00 N ATOM 322 CA GLU A 19 0.736 23.835 -17.940 1.00 0.00 C ATOM 323 C GLU A 19 2.104 24.266 -18.508 1.00 0.00 C ATOM 324 O GLU A 19 2.247 25.367 -19.047 1.00 0.00 O ATOM 325 CB GLU A 19 0.705 24.052 -16.401 1.00 0.00 C ATOM 326 CG GLU A 19 -0.556 23.507 -15.693 1.00 0.00 C ATOM 327 CD GLU A 19 -1.874 24.127 -16.204 1.00 0.00 C ATOM 328 OE1 GLU A 19 -2.174 25.284 -15.841 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.625 23.460 -16.957 1.00 0.00 O ATOM 0 H GLU A 19 0.851 21.766 -17.565 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.031 24.449 -18.412 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.583 23.577 -15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.785 25.120 -16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.598 22.426 -15.827 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.469 23.693 -14.622 1.00 0.00 H new ATOM 336 N GLY A 20 3.096 23.375 -18.391 1.00 0.00 N ATOM 337 CA GLY A 20 4.477 23.672 -18.768 1.00 0.00 C ATOM 338 C GLY A 20 5.323 24.060 -17.570 1.00 0.00 C ATOM 339 O GLY A 20 5.471 23.271 -16.635 1.00 0.00 O ATOM 0 H GLY A 20 2.961 22.430 -18.032 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.915 22.800 -19.254 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.487 24.482 -19.497 1.00 0.00 H new ATOM 343 N CYS A 21 5.890 25.273 -17.609 1.00 0.00 N ATOM 344 CA CYS A 21 6.686 25.832 -16.495 1.00 0.00 C ATOM 345 C CYS A 21 6.748 27.367 -16.582 1.00 0.00 C ATOM 346 O CYS A 21 7.562 27.999 -15.901 1.00 0.00 O ATOM 347 CB CYS A 21 8.109 25.234 -16.497 1.00 0.00 C ATOM 348 SG CYS A 21 9.075 25.540 -18.018 1.00 0.00 S ATOM 0 H CYS A 21 5.813 25.899 -18.411 1.00 0.00 H new ATOM 0 HA CYS A 21 6.197 25.564 -15.559 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.659 25.640 -15.648 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.034 24.158 -16.343 1.00 0.00 H new ATOM 0 HG CYS A 21 8.725 24.686 -18.933 1.00 0.00 H new ATOM 353 N GLY A 22 5.867 27.960 -17.409 1.00 0.00 N ATOM 354 CA GLY A 22 5.884 29.402 -17.677 1.00 0.00 C ATOM 355 C GLY A 22 6.860 29.761 -18.791 1.00 0.00 C ATOM 356 O GLY A 22 6.472 30.349 -19.808 1.00 0.00 O ATOM 0 H GLY A 22 5.132 27.455 -17.904 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.882 29.732 -17.952 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.158 29.937 -16.768 1.00 0.00 H new ATOM 360 N ASN A 23 8.127 29.389 -18.568 1.00 0.00 N ATOM 361 CA ASN A 23 9.233 29.570 -19.522 1.00 0.00 C ATOM 362 C ASN A 23 8.905 28.946 -20.897 1.00 0.00 C ATOM 363 O ASN A 23 8.816 27.715 -21.034 1.00 0.00 O ATOM 364 CB ASN A 23 10.521 28.938 -18.920 1.00 0.00 C ATOM 365 CG ASN A 23 11.782 29.041 -19.797 1.00 0.00 C ATOM 366 OD1 ASN A 23 12.637 28.155 -19.755 1.00 0.00 O ATOM 367 ND2 ASN A 23 11.942 30.124 -20.557 1.00 0.00 N ATOM 0 H ASN A 23 8.420 28.943 -17.699 1.00 0.00 H new ATOM 0 HA ASN A 23 9.388 30.636 -19.688 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.726 29.416 -17.962 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.327 27.885 -18.716 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.786 30.232 -21.120 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.221 30.845 -20.576 1.00 0.00 H new ATOM 374 N GLU A 24 8.670 29.821 -21.890 1.00 0.00 N ATOM 375 CA GLU A 24 8.428 29.418 -23.289 1.00 0.00 C ATOM 376 C GLU A 24 9.749 29.068 -23.985 1.00 0.00 C ATOM 377 O GLU A 24 9.804 28.145 -24.804 1.00 0.00 O ATOM 378 CB GLU A 24 7.673 30.523 -24.090 1.00 0.00 C ATOM 379 CG GLU A 24 8.450 31.825 -24.378 1.00 0.00 C ATOM 380 CD GLU A 24 8.689 32.702 -23.134 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.816 33.537 -22.817 1.00 0.00 O ATOM 382 OE2 GLU A 24 9.739 32.547 -22.456 1.00 0.00 O ATOM 0 H GLU A 24 8.642 30.830 -21.746 1.00 0.00 H new ATOM 0 HA GLU A 24 7.792 28.533 -23.266 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.358 30.097 -25.043 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.767 30.782 -23.542 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.413 31.571 -24.821 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.902 32.406 -25.120 1.00 0.00 H new ATOM 389 N ALA A 25 10.815 29.814 -23.631 1.00 0.00 N ATOM 390 CA ALA A 25 12.189 29.570 -24.115 1.00 0.00 C ATOM 391 C ALA A 25 12.838 28.453 -23.271 1.00 0.00 C ATOM 392 O ALA A 25 13.900 28.626 -22.651 1.00 0.00 O ATOM 393 CB ALA A 25 12.990 30.883 -24.062 1.00 0.00 C ATOM 0 H ALA A 25 10.746 30.609 -22.996 1.00 0.00 H new ATOM 0 HA ALA A 25 12.177 29.234 -25.152 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.004 30.705 -24.419 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.508 31.629 -24.695 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.025 31.247 -23.035 1.00 0.00 H new ATOM 399 N CYS A 26 12.144 27.311 -23.253 1.00 0.00 N ATOM 400 CA CYS A 26 12.469 26.155 -22.420 1.00 0.00 C ATOM 401 C CYS A 26 13.193 25.105 -23.260 1.00 0.00 C ATOM 402 O CYS A 26 12.792 24.841 -24.402 1.00 0.00 O ATOM 403 CB CYS A 26 11.168 25.572 -21.819 1.00 0.00 C ATOM 404 SG CYS A 26 11.389 24.092 -20.786 1.00 0.00 S ATOM 0 H CYS A 26 11.319 27.164 -23.834 1.00 0.00 H new ATOM 0 HA CYS A 26 13.125 26.460 -21.605 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.685 26.344 -21.221 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.487 25.328 -22.635 1.00 0.00 H new ATOM 0 HG CYS A 26 10.234 23.534 -20.574 1.00 0.00 H new ATOM 409 N THR A 27 14.251 24.505 -22.692 1.00 0.00 N ATOM 410 CA THR A 27 15.053 23.476 -23.364 1.00 0.00 C ATOM 411 C THR A 27 14.410 22.075 -23.201 1.00 0.00 C ATOM 412 O THR A 27 15.064 21.101 -22.793 1.00 0.00 O ATOM 413 CB THR A 27 16.524 23.516 -22.834 1.00 0.00 C ATOM 414 OG1 THR A 27 16.550 23.386 -21.402 1.00 0.00 O ATOM 415 CG2 THR A 27 17.237 24.823 -23.242 1.00 0.00 C ATOM 0 H THR A 27 14.574 24.723 -21.749 1.00 0.00 H new ATOM 0 HA THR A 27 15.078 23.686 -24.433 1.00 0.00 H new ATOM 0 HB THR A 27 17.053 22.677 -23.285 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.478 23.411 -21.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 18.257 24.817 -22.857 1.00 0.00 H new ATOM 0 HG22 THR A 27 17.260 24.901 -24.329 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.698 25.676 -22.829 1.00 0.00 H new ATOM 423 N ASN A 28 13.110 21.999 -23.558 1.00 0.00 N ATOM 424 CA ASN A 28 12.330 20.774 -23.531 1.00 0.00 C ATOM 425 C ASN A 28 11.115 20.957 -24.447 1.00 0.00 C ATOM 426 O ASN A 28 10.249 21.799 -24.172 1.00 0.00 O ATOM 427 CB ASN A 28 11.893 20.404 -22.083 1.00 0.00 C ATOM 428 CG ASN A 28 11.119 19.082 -21.995 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.252 18.198 -22.843 1.00 0.00 O ATOM 430 ND2 ASN A 28 10.355 18.905 -20.934 1.00 0.00 N ATOM 0 H ASN A 28 12.578 22.809 -23.876 1.00 0.00 H new ATOM 0 HA ASN A 28 12.942 19.946 -23.889 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.778 20.340 -21.450 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.273 21.206 -21.683 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.860 18.023 -20.803 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.259 19.650 -20.244 1.00 0.00 H new ATOM 437 N GLU A 29 11.077 20.190 -25.547 1.00 0.00 N ATOM 438 CA GLU A 29 9.958 20.198 -26.508 1.00 0.00 C ATOM 439 C GLU A 29 8.720 19.504 -25.916 1.00 0.00 C ATOM 440 O GLU A 29 7.588 19.812 -26.296 1.00 0.00 O ATOM 441 CB GLU A 29 10.391 19.526 -27.835 1.00 0.00 C ATOM 442 CG GLU A 29 10.900 18.076 -27.688 1.00 0.00 C ATOM 443 CD GLU A 29 11.327 17.434 -29.017 1.00 0.00 C ATOM 444 OE1 GLU A 29 12.431 17.749 -29.511 1.00 0.00 O ATOM 445 OE2 GLU A 29 10.558 16.625 -29.583 1.00 0.00 O ATOM 0 H GLU A 29 11.824 19.543 -25.798 1.00 0.00 H new ATOM 0 HA GLU A 29 9.687 21.233 -26.717 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.545 19.532 -28.522 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.177 20.128 -28.292 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.746 18.065 -27.001 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.115 17.469 -27.237 1.00 0.00 H new ATOM 452 N PHE A 30 8.954 18.598 -24.951 1.00 0.00 N ATOM 453 CA PHE A 30 7.896 17.861 -24.234 1.00 0.00 C ATOM 454 C PHE A 30 7.448 18.683 -22.999 1.00 0.00 C ATOM 455 O PHE A 30 7.377 18.177 -21.870 1.00 0.00 O ATOM 456 CB PHE A 30 8.439 16.469 -23.816 1.00 0.00 C ATOM 457 CG PHE A 30 9.027 15.647 -24.967 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.199 15.005 -25.884 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.406 15.514 -25.121 1.00 0.00 C ATOM 460 CE1 PHE A 30 8.734 14.257 -26.917 1.00 0.00 C ATOM 461 CE2 PHE A 30 10.938 14.768 -26.154 1.00 0.00 C ATOM 462 CZ PHE A 30 10.101 14.137 -27.049 1.00 0.00 C ATOM 0 H PHE A 30 9.895 18.353 -24.642 1.00 0.00 H new ATOM 0 HA PHE A 30 7.030 17.713 -24.880 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.207 16.606 -23.054 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.631 15.901 -23.356 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.127 15.092 -25.788 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.069 16.002 -24.422 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.079 13.766 -27.622 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.009 14.679 -26.261 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.516 13.548 -27.854 1.00 0.00 H new ATOM 472 N CYS A 31 7.153 19.968 -23.245 1.00 0.00 N ATOM 473 CA CYS A 31 6.797 20.942 -22.214 1.00 0.00 C ATOM 474 C CYS A 31 5.814 21.945 -22.806 1.00 0.00 C ATOM 475 O CYS A 31 6.085 22.508 -23.867 1.00 0.00 O ATOM 476 CB CYS A 31 8.056 21.682 -21.731 1.00 0.00 C ATOM 477 SG CYS A 31 7.753 22.939 -20.455 1.00 0.00 S ATOM 0 H CYS A 31 7.157 20.362 -24.186 1.00 0.00 H new ATOM 0 HA CYS A 31 6.344 20.428 -21.367 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.764 20.951 -21.341 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.531 22.160 -22.588 1.00 0.00 H new ATOM 0 HG CYS A 31 7.869 24.124 -20.977 1.00 0.00 H new ATOM 482 N ALA A 32 4.695 22.181 -22.118 1.00 0.00 N ATOM 483 CA ALA A 32 3.650 23.096 -22.588 1.00 0.00 C ATOM 484 C ALA A 32 4.097 24.554 -22.447 1.00 0.00 C ATOM 485 O ALA A 32 5.070 24.850 -21.730 1.00 0.00 O ATOM 486 CB ALA A 32 2.342 22.818 -21.850 1.00 0.00 C ATOM 0 H ALA A 32 4.487 21.744 -21.220 1.00 0.00 H new ATOM 0 HA ALA A 32 3.474 22.923 -23.650 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.571 23.502 -22.205 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.030 21.791 -22.037 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.490 22.963 -20.780 1.00 0.00 H new ATOM 492 N SER A 33 3.413 25.438 -23.200 1.00 0.00 N ATOM 493 CA SER A 33 3.754 26.872 -23.333 1.00 0.00 C ATOM 494 C SER A 33 5.075 27.075 -24.130 1.00 0.00 C ATOM 495 O SER A 33 5.503 28.208 -24.321 1.00 0.00 O ATOM 496 CB SER A 33 3.810 27.579 -21.937 1.00 0.00 C ATOM 497 OG SER A 33 3.999 28.986 -22.051 1.00 0.00 O ATOM 0 H SER A 33 2.592 25.172 -23.744 1.00 0.00 H new ATOM 0 HA SER A 33 2.956 27.344 -23.906 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.885 27.382 -21.395 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.622 27.152 -21.348 1.00 0.00 H new ATOM 0 HG SER A 33 4.529 29.181 -22.852 1.00 0.00 H new ATOM 503 N CYS A 34 5.693 25.976 -24.630 1.00 0.00 N ATOM 504 CA CYS A 34 6.896 26.045 -25.483 1.00 0.00 C ATOM 505 C CYS A 34 6.478 25.995 -26.974 1.00 0.00 C ATOM 506 O CYS A 34 5.511 25.300 -27.312 1.00 0.00 O ATOM 507 CB CYS A 34 7.846 24.881 -25.124 1.00 0.00 C ATOM 508 SG CYS A 34 8.235 24.788 -23.361 1.00 0.00 S ATOM 0 H CYS A 34 5.371 25.025 -24.452 1.00 0.00 H new ATOM 0 HA CYS A 34 7.425 26.983 -25.312 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.392 23.941 -25.438 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.773 24.991 -25.687 1.00 0.00 H new ATOM 0 HG CYS A 34 7.133 24.807 -22.672 1.00 0.00 H new ATOM 514 N PRO A 35 7.186 26.733 -27.893 1.00 0.00 N ATOM 515 CA PRO A 35 6.830 26.780 -29.342 1.00 0.00 C ATOM 516 C PRO A 35 7.090 25.434 -30.055 1.00 0.00 C ATOM 517 O PRO A 35 6.488 25.142 -31.087 1.00 0.00 O ATOM 518 CB PRO A 35 7.749 27.907 -29.888 1.00 0.00 C ATOM 519 CG PRO A 35 8.941 27.883 -28.978 1.00 0.00 C ATOM 520 CD PRO A 35 8.393 27.568 -27.605 1.00 0.00 C ATOM 0 HA PRO A 35 5.769 26.968 -29.510 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.035 27.721 -30.923 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.249 28.875 -29.864 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.662 27.130 -29.295 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.459 28.842 -28.984 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.119 27.028 -26.998 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.133 28.475 -27.059 1.00 0.00 H new ATOM 528 N THR A 36 7.987 24.628 -29.468 1.00 0.00 N ATOM 529 CA THR A 36 8.396 23.314 -29.997 1.00 0.00 C ATOM 530 C THR A 36 7.417 22.186 -29.578 1.00 0.00 C ATOM 531 O THR A 36 7.529 21.046 -30.049 1.00 0.00 O ATOM 532 CB THR A 36 9.843 23.004 -29.500 1.00 0.00 C ATOM 533 OG1 THR A 36 9.896 23.131 -28.069 1.00 0.00 O ATOM 534 CG2 THR A 36 10.893 23.950 -30.120 1.00 0.00 C ATOM 0 H THR A 36 8.458 24.873 -28.597 1.00 0.00 H new ATOM 0 HA THR A 36 8.375 23.354 -31.086 1.00 0.00 H new ATOM 0 HB THR A 36 10.080 21.987 -29.811 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.804 22.935 -27.757 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.883 23.693 -29.742 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.881 23.846 -31.205 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.658 24.980 -29.851 1.00 0.00 H new ATOM 542 N PHE A 37 6.456 22.536 -28.703 1.00 0.00 N ATOM 543 CA PHE A 37 5.414 21.615 -28.200 1.00 0.00 C ATOM 544 C PHE A 37 4.211 21.587 -29.162 1.00 0.00 C ATOM 545 O PHE A 37 4.001 22.530 -29.938 1.00 0.00 O ATOM 546 CB PHE A 37 4.980 22.096 -26.788 1.00 0.00 C ATOM 547 CG PHE A 37 3.951 21.220 -26.055 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.318 19.980 -25.537 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.641 21.652 -25.852 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.405 19.194 -24.863 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.730 20.863 -25.173 1.00 0.00 C ATOM 552 CZ PHE A 37 2.114 19.640 -24.671 1.00 0.00 C ATOM 0 H PHE A 37 6.378 23.478 -28.319 1.00 0.00 H new ATOM 0 HA PHE A 37 5.809 20.601 -28.138 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.871 22.172 -26.164 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.569 23.101 -26.881 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.331 19.629 -25.665 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.333 22.616 -26.230 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.702 18.227 -24.485 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.715 21.207 -25.036 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.406 19.031 -24.128 1.00 0.00 H new ATOM 562 N LEU A 38 3.439 20.487 -29.111 1.00 0.00 N ATOM 563 CA LEU A 38 2.135 20.378 -29.791 1.00 0.00 C ATOM 564 C LEU A 38 1.084 20.033 -28.719 1.00 0.00 C ATOM 565 O LEU A 38 1.243 19.040 -27.994 1.00 0.00 O ATOM 566 CB LEU A 38 2.180 19.309 -30.938 1.00 0.00 C ATOM 567 CG LEU A 38 1.164 19.493 -32.129 1.00 0.00 C ATOM 568 CD1 LEU A 38 1.492 18.544 -33.301 1.00 0.00 C ATOM 569 CD2 LEU A 38 -0.312 19.327 -31.698 1.00 0.00 C ATOM 0 H LEU A 38 3.702 19.647 -28.596 1.00 0.00 H new ATOM 0 HA LEU A 38 1.874 21.320 -30.273 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.188 19.299 -31.352 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.007 18.329 -30.494 1.00 0.00 H new ATOM 0 HG LEU A 38 1.283 20.523 -32.466 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.772 18.697 -34.105 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.497 18.753 -33.668 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.439 17.511 -32.958 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.961 19.465 -32.563 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.461 18.328 -31.288 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.555 20.071 -30.939 1.00 0.00 H new ATOM 581 N ARG A 39 0.039 20.885 -28.618 1.00 0.00 N ATOM 582 CA ARG A 39 -1.041 20.757 -27.612 1.00 0.00 C ATOM 583 C ARG A 39 -1.790 19.413 -27.728 1.00 0.00 C ATOM 584 O ARG A 39 -1.843 18.805 -28.800 1.00 0.00 O ATOM 585 CB ARG A 39 -2.041 21.947 -27.733 1.00 0.00 C ATOM 586 CG ARG A 39 -1.473 23.315 -27.291 1.00 0.00 C ATOM 587 CD ARG A 39 -1.141 23.363 -25.786 1.00 0.00 C ATOM 588 NE ARG A 39 -0.654 24.690 -25.366 1.00 0.00 N ATOM 589 CZ ARG A 39 -0.397 25.061 -24.102 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.540 24.210 -23.085 1.00 0.00 N ATOM 591 NH2 ARG A 39 0.004 26.298 -23.859 1.00 0.00 N ATOM 0 H ARG A 39 -0.080 21.687 -29.237 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.571 20.782 -26.629 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.370 22.023 -28.769 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.924 21.725 -27.134 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.572 23.532 -27.865 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.196 24.097 -27.525 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.030 23.105 -25.211 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.385 22.611 -25.558 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.500 25.384 -26.097 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.851 23.254 -23.260 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.339 24.515 -22.133 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.115 26.959 -24.628 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.202 26.591 -22.902 1.00 0.00 H new ATOM 605 N MET A 40 -2.376 18.981 -26.607 1.00 0.00 N ATOM 606 CA MET A 40 -3.067 17.684 -26.488 1.00 0.00 C ATOM 607 C MET A 40 -4.107 17.756 -25.361 1.00 0.00 C ATOM 608 O MET A 40 -4.162 18.755 -24.629 1.00 0.00 O ATOM 609 CB MET A 40 -2.023 16.558 -26.202 1.00 0.00 C ATOM 610 CG MET A 40 -1.224 16.740 -24.895 1.00 0.00 C ATOM 611 SD MET A 40 0.068 15.495 -24.677 1.00 0.00 S ATOM 612 CE MET A 40 1.186 15.885 -26.025 1.00 0.00 C ATOM 0 H MET A 40 -2.386 19.525 -25.744 1.00 0.00 H new ATOM 0 HA MET A 40 -3.580 17.454 -27.422 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.542 15.600 -26.165 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.323 16.509 -27.036 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.770 17.731 -24.888 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.909 16.697 -24.048 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.153 15.416 -25.843 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.772 15.511 -26.961 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.314 16.965 -26.091 1.00 0.00 H new ATOM 622 N ASP A 41 -4.927 16.698 -25.237 1.00 0.00 N ATOM 623 CA ASP A 41 -5.884 16.544 -24.117 1.00 0.00 C ATOM 624 C ASP A 41 -5.120 16.291 -22.814 1.00 0.00 C ATOM 625 O ASP A 41 -3.975 15.853 -22.850 1.00 0.00 O ATOM 626 CB ASP A 41 -6.872 15.373 -24.380 1.00 0.00 C ATOM 627 CG ASP A 41 -7.713 15.573 -25.649 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.808 16.168 -25.571 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.265 15.162 -26.742 1.00 0.00 O ATOM 0 H ASP A 41 -4.949 15.927 -25.904 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.460 17.465 -24.033 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.310 14.443 -24.466 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.537 15.266 -23.523 1.00 0.00 H new ATOM 634 N ASN A 42 -5.768 16.549 -21.666 1.00 0.00 N ATOM 635 CA ASN A 42 -5.151 16.345 -20.334 1.00 0.00 C ATOM 636 C ASN A 42 -4.950 14.834 -20.055 1.00 0.00 C ATOM 637 O ASN A 42 -4.066 14.451 -19.295 1.00 0.00 O ATOM 638 CB ASN A 42 -5.995 17.024 -19.227 1.00 0.00 C ATOM 639 CG ASN A 42 -7.344 16.339 -18.976 1.00 0.00 C ATOM 640 OD1 ASN A 42 -7.462 15.474 -18.107 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.359 16.698 -19.755 1.00 0.00 N ATOM 0 H ASN A 42 -6.724 16.901 -21.628 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.168 16.817 -20.329 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.423 17.032 -18.299 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.171 18.064 -19.502 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.270 16.253 -19.643 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.227 17.418 -20.465 1.00 0.00 H new ATOM 648 N ASN A 43 -5.764 13.996 -20.720 1.00 0.00 N ATOM 649 CA ASN A 43 -5.647 12.530 -20.659 1.00 0.00 C ATOM 650 C ASN A 43 -4.430 12.055 -21.474 1.00 0.00 C ATOM 651 O ASN A 43 -3.709 11.145 -21.055 1.00 0.00 O ATOM 652 CB ASN A 43 -6.931 11.852 -21.199 1.00 0.00 C ATOM 653 CG ASN A 43 -8.200 12.173 -20.399 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.355 13.259 -19.852 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.117 11.223 -20.325 1.00 0.00 N ATOM 0 H ASN A 43 -6.525 14.319 -21.318 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.513 12.246 -19.615 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.081 12.158 -22.234 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.783 10.772 -21.204 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.978 11.385 -19.803 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.963 10.328 -20.790 1.00 0.00 H new ATOM 662 N ALA A 44 -4.221 12.691 -22.645 1.00 0.00 N ATOM 663 CA ALA A 44 -3.047 12.445 -23.500 1.00 0.00 C ATOM 664 C ALA A 44 -1.770 12.980 -22.832 1.00 0.00 C ATOM 665 O ALA A 44 -0.692 12.412 -22.998 1.00 0.00 O ATOM 666 CB ALA A 44 -3.261 13.080 -24.881 1.00 0.00 C ATOM 0 H ALA A 44 -4.862 13.389 -23.022 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.925 11.370 -23.633 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.388 12.893 -25.507 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.143 12.644 -25.349 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.404 14.155 -24.769 1.00 0.00 H new ATOM 672 N ALA A 45 -1.934 14.056 -22.051 1.00 0.00 N ATOM 673 CA ALA A 45 -0.861 14.680 -21.267 1.00 0.00 C ATOM 674 C ALA A 45 -0.487 13.801 -20.066 1.00 0.00 C ATOM 675 O ALA A 45 0.652 13.832 -19.608 1.00 0.00 O ATOM 676 CB ALA A 45 -1.294 16.080 -20.815 1.00 0.00 C ATOM 0 H ALA A 45 -2.833 14.526 -21.945 1.00 0.00 H new ATOM 0 HA ALA A 45 0.026 14.778 -21.893 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.494 16.538 -20.234 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.506 16.695 -21.689 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.191 16.003 -20.200 1.00 0.00 H new ATOM 682 N ALA A 46 -1.470 13.027 -19.570 1.00 0.00 N ATOM 683 CA ALA A 46 -1.258 12.035 -18.504 1.00 0.00 C ATOM 684 C ALA A 46 -0.458 10.829 -19.029 1.00 0.00 C ATOM 685 O ALA A 46 0.473 10.361 -18.371 1.00 0.00 O ATOM 686 CB ALA A 46 -2.605 11.591 -17.917 1.00 0.00 C ATOM 0 H ALA A 46 -2.434 13.073 -19.899 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.674 12.499 -17.709 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.434 10.857 -17.129 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.123 12.455 -17.502 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.215 11.145 -18.703 1.00 0.00 H new ATOM 692 N ILE A 47 -0.826 10.353 -20.235 1.00 0.00 N ATOM 693 CA ILE A 47 -0.099 9.272 -20.936 1.00 0.00 C ATOM 694 C ILE A 47 1.347 9.708 -21.228 1.00 0.00 C ATOM 695 O ILE A 47 2.297 8.966 -20.959 1.00 0.00 O ATOM 696 CB ILE A 47 -0.834 8.871 -22.282 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.232 8.227 -21.989 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.027 7.929 -23.168 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.173 6.906 -21.227 1.00 0.00 C ATOM 0 H ILE A 47 -1.633 10.705 -20.751 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.082 8.397 -20.286 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.985 9.793 -22.844 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.832 8.935 -21.417 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.748 8.063 -22.935 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.521 7.684 -24.078 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.960 8.428 -23.430 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.247 7.013 -22.619 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.184 6.532 -21.068 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.604 6.178 -21.805 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.689 7.063 -20.263 1.00 0.00 H new ATOM 711 N LYS A 48 1.493 10.939 -21.731 1.00 0.00 N ATOM 712 CA LYS A 48 2.796 11.495 -22.113 1.00 0.00 C ATOM 713 C LYS A 48 3.651 11.796 -20.858 1.00 0.00 C ATOM 714 O LYS A 48 4.878 11.735 -20.917 1.00 0.00 O ATOM 715 CB LYS A 48 2.595 12.760 -22.992 1.00 0.00 C ATOM 716 CG LYS A 48 3.836 13.196 -23.804 1.00 0.00 C ATOM 717 CD LYS A 48 4.360 12.074 -24.740 1.00 0.00 C ATOM 718 CE LYS A 48 5.462 12.555 -25.693 1.00 0.00 C ATOM 719 NZ LYS A 48 4.954 13.523 -26.702 1.00 0.00 N ATOM 0 H LYS A 48 0.712 11.577 -21.885 1.00 0.00 H new ATOM 0 HA LYS A 48 3.340 10.758 -22.704 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.773 12.576 -23.684 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.292 13.586 -22.349 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.586 14.074 -24.400 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.629 13.492 -23.118 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.744 11.253 -24.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.529 11.678 -25.324 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.260 13.021 -25.116 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.898 11.696 -26.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.697 13.715 -27.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.122 13.122 -27.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.687 14.410 -26.229 1.00 0.00 H new ATOM 733 N ALA A 49 2.976 12.081 -19.725 1.00 0.00 N ATOM 734 CA ALA A 49 3.622 12.218 -18.406 1.00 0.00 C ATOM 735 C ALA A 49 4.292 10.902 -17.995 1.00 0.00 C ATOM 736 O ALA A 49 5.439 10.903 -17.551 1.00 0.00 O ATOM 737 CB ALA A 49 2.606 12.660 -17.341 1.00 0.00 C ATOM 0 H ALA A 49 1.966 12.223 -19.701 1.00 0.00 H new ATOM 0 HA ALA A 49 4.390 12.988 -18.484 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.107 12.754 -16.377 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.179 13.622 -17.623 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.811 11.918 -17.266 1.00 0.00 H new ATOM 743 N LEU A 50 3.562 9.788 -18.180 1.00 0.00 N ATOM 744 CA LEU A 50 4.069 8.432 -17.881 1.00 0.00 C ATOM 745 C LEU A 50 5.188 8.006 -18.859 1.00 0.00 C ATOM 746 O LEU A 50 6.065 7.226 -18.475 1.00 0.00 O ATOM 747 CB LEU A 50 2.915 7.379 -17.865 1.00 0.00 C ATOM 748 CG LEU A 50 2.173 7.171 -16.505 1.00 0.00 C ATOM 749 CD1 LEU A 50 3.151 6.710 -15.401 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.384 8.421 -16.077 1.00 0.00 C ATOM 0 H LEU A 50 2.607 9.799 -18.539 1.00 0.00 H new ATOM 0 HA LEU A 50 4.503 8.471 -16.882 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.178 7.670 -18.613 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.326 6.419 -18.179 1.00 0.00 H new ATOM 0 HG LEU A 50 1.442 6.376 -16.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.607 6.573 -14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.612 5.767 -15.694 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.926 7.464 -15.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.885 8.229 -15.127 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.068 9.262 -15.964 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.639 8.659 -16.836 1.00 0.00 H new ATOM 762 N GLU A 51 5.140 8.498 -20.115 1.00 0.00 N ATOM 763 CA GLU A 51 6.207 8.247 -21.111 1.00 0.00 C ATOM 764 C GLU A 51 7.515 8.913 -20.670 1.00 0.00 C ATOM 765 O GLU A 51 8.573 8.284 -20.659 1.00 0.00 O ATOM 766 CB GLU A 51 5.797 8.772 -22.509 1.00 0.00 C ATOM 767 CG GLU A 51 4.595 8.051 -23.143 1.00 0.00 C ATOM 768 CD GLU A 51 4.875 6.578 -23.479 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.630 6.312 -24.437 1.00 0.00 O ATOM 770 OE2 GLU A 51 4.331 5.680 -22.810 1.00 0.00 O ATOM 0 H GLU A 51 4.373 9.072 -20.465 1.00 0.00 H new ATOM 0 HA GLU A 51 6.358 7.169 -21.177 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.565 9.834 -22.429 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.651 8.683 -23.180 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.747 8.105 -22.461 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.305 8.575 -24.054 1.00 0.00 H new ATOM 777 N LEU A 52 7.415 10.194 -20.291 1.00 0.00 N ATOM 778 CA LEU A 52 8.563 10.976 -19.817 1.00 0.00 C ATOM 779 C LEU A 52 9.042 10.472 -18.447 1.00 0.00 C ATOM 780 O LEU A 52 10.212 10.606 -18.110 1.00 0.00 O ATOM 781 CB LEU A 52 8.220 12.477 -19.754 1.00 0.00 C ATOM 782 CG LEU A 52 7.744 13.142 -21.081 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.553 14.655 -20.886 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.695 12.837 -22.268 1.00 0.00 C ATOM 0 H LEU A 52 6.538 10.715 -20.304 1.00 0.00 H new ATOM 0 HA LEU A 52 9.375 10.843 -20.532 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.441 12.617 -19.005 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.101 13.013 -19.402 1.00 0.00 H new ATOM 0 HG LEU A 52 6.780 12.704 -21.340 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.221 15.103 -21.822 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.804 14.831 -20.114 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.499 15.105 -20.584 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.320 13.322 -23.169 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.692 13.214 -22.041 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.742 11.760 -22.429 1.00 0.00 H new ATOM 796 N TYR A 53 8.117 9.896 -17.670 1.00 0.00 N ATOM 797 CA TYR A 53 8.416 9.332 -16.349 1.00 0.00 C ATOM 798 C TYR A 53 9.282 8.062 -16.475 1.00 0.00 C ATOM 799 O TYR A 53 10.309 7.944 -15.792 1.00 0.00 O ATOM 800 CB TYR A 53 7.095 9.044 -15.582 1.00 0.00 C ATOM 801 CG TYR A 53 7.281 8.313 -14.239 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.709 8.993 -13.096 1.00 0.00 C ATOM 803 CD2 TYR A 53 7.054 6.938 -14.132 1.00 0.00 C ATOM 804 CE1 TYR A 53 7.905 8.326 -11.904 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.245 6.277 -12.945 1.00 0.00 C ATOM 806 CZ TYR A 53 7.670 6.968 -11.835 1.00 0.00 C ATOM 807 OH TYR A 53 7.873 6.299 -10.649 1.00 0.00 O ATOM 0 H TYR A 53 7.138 9.808 -17.941 1.00 0.00 H new ATOM 0 HA TYR A 53 8.991 10.061 -15.778 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.583 9.989 -15.399 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.443 8.446 -16.219 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.889 10.057 -13.146 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.722 6.386 -14.999 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.241 8.864 -11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.062 5.215 -12.883 1.00 0.00 H new ATOM 0 HH TYR A 53 7.661 5.350 -10.769 1.00 0.00 H new ATOM 817 N LYS A 54 8.878 7.135 -17.370 1.00 0.00 N ATOM 818 CA LYS A 54 9.541 5.820 -17.517 1.00 0.00 C ATOM 819 C LYS A 54 10.946 5.962 -18.127 1.00 0.00 C ATOM 820 O LYS A 54 11.866 5.222 -17.762 1.00 0.00 O ATOM 821 CB LYS A 54 8.669 4.832 -18.352 1.00 0.00 C ATOM 822 CG LYS A 54 8.415 5.238 -19.822 1.00 0.00 C ATOM 823 CD LYS A 54 7.485 4.270 -20.609 1.00 0.00 C ATOM 824 CE LYS A 54 6.003 4.321 -20.172 1.00 0.00 C ATOM 825 NZ LYS A 54 5.762 3.722 -18.835 1.00 0.00 N ATOM 0 H LYS A 54 8.092 7.274 -18.005 1.00 0.00 H new ATOM 0 HA LYS A 54 9.653 5.402 -16.516 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.151 3.854 -18.343 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.706 4.717 -17.855 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.977 6.236 -19.839 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.373 5.301 -20.339 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.547 4.507 -21.671 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.853 3.251 -20.488 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.670 5.359 -20.162 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.396 3.798 -20.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.875 3.179 -18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.551 3.090 -18.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.691 4.477 -18.124 1.00 0.00 H new ATOM 839 N ILE A 55 11.108 6.927 -19.051 1.00 0.00 N ATOM 840 CA ILE A 55 12.413 7.219 -19.686 1.00 0.00 C ATOM 841 C ILE A 55 13.258 8.170 -18.805 1.00 0.00 C ATOM 842 O ILE A 55 14.475 8.282 -19.004 1.00 0.00 O ATOM 843 CB ILE A 55 12.233 7.824 -21.135 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.597 9.251 -21.093 1.00 0.00 C ATOM 845 CG2 ILE A 55 11.393 6.868 -22.027 1.00 0.00 C ATOM 846 CD1 ILE A 55 11.297 9.870 -22.455 1.00 0.00 C ATOM 0 H ILE A 55 10.348 7.523 -19.378 1.00 0.00 H new ATOM 0 HA ILE A 55 12.945 6.272 -19.782 1.00 0.00 H new ATOM 0 HB ILE A 55 13.225 7.925 -21.575 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.670 9.201 -20.522 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.270 9.915 -20.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.280 7.302 -23.020 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.899 5.906 -22.107 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.409 6.724 -21.580 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.858 10.858 -22.317 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.221 9.960 -23.025 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.596 9.235 -22.997 1.00 0.00 H new ATOM 858 N ASN A 56 12.580 8.835 -17.832 1.00 0.00 N ATOM 859 CA ASN A 56 13.171 9.858 -16.942 1.00 0.00 C ATOM 860 C ASN A 56 13.764 11.005 -17.788 1.00 0.00 C ATOM 861 O ASN A 56 14.987 11.172 -17.900 1.00 0.00 O ATOM 862 CB ASN A 56 14.201 9.242 -15.954 1.00 0.00 C ATOM 863 CG ASN A 56 14.660 10.219 -14.862 1.00 0.00 C ATOM 864 OD1 ASN A 56 14.053 10.303 -13.795 1.00 0.00 O ATOM 865 ND2 ASN A 56 15.732 10.959 -15.114 1.00 0.00 N ATOM 0 H ASN A 56 11.591 8.669 -17.645 1.00 0.00 H new ATOM 0 HA ASN A 56 12.383 10.278 -16.316 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.760 8.363 -15.483 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.071 8.901 -16.514 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.073 11.618 -14.414 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.216 10.868 -16.007 1.00 0.00 H new ATOM 872 N ALA A 57 12.857 11.746 -18.431 1.00 0.00 N ATOM 873 CA ALA A 57 13.185 12.829 -19.371 1.00 0.00 C ATOM 874 C ALA A 57 13.410 14.164 -18.649 1.00 0.00 C ATOM 875 O ALA A 57 13.482 14.218 -17.411 1.00 0.00 O ATOM 876 CB ALA A 57 12.042 12.956 -20.396 1.00 0.00 C ATOM 0 H ALA A 57 11.853 11.609 -18.312 1.00 0.00 H new ATOM 0 HA ALA A 57 14.118 12.582 -19.878 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.272 13.756 -21.100 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.933 12.016 -20.937 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.112 13.186 -19.877 1.00 0.00 H new ATOM 882 N LYS A 58 13.523 15.243 -19.454 1.00 0.00 N ATOM 883 CA LYS A 58 13.602 16.622 -18.964 1.00 0.00 C ATOM 884 C LYS A 58 12.344 16.970 -18.159 1.00 0.00 C ATOM 885 O LYS A 58 11.267 17.175 -18.729 1.00 0.00 O ATOM 886 CB LYS A 58 13.738 17.604 -20.157 1.00 0.00 C ATOM 887 CG LYS A 58 15.047 17.493 -20.958 1.00 0.00 C ATOM 888 CD LYS A 58 16.278 17.991 -20.166 1.00 0.00 C ATOM 889 CE LYS A 58 16.172 19.483 -19.777 1.00 0.00 C ATOM 890 NZ LYS A 58 17.319 19.935 -18.940 1.00 0.00 N ATOM 0 H LYS A 58 13.562 15.172 -20.471 1.00 0.00 H new ATOM 0 HA LYS A 58 14.477 16.712 -18.320 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.901 17.441 -20.836 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.648 18.622 -19.779 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.203 16.454 -21.248 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.955 18.070 -21.878 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.391 17.391 -19.263 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.176 17.838 -20.764 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.125 20.089 -20.682 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.242 19.649 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.202 20.941 -18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.350 19.376 -18.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.206 19.803 -19.466 1.00 0.00 H new ATOM 904 N LEU A 59 12.481 16.960 -16.835 1.00 0.00 N ATOM 905 CA LEU A 59 11.448 17.458 -15.929 1.00 0.00 C ATOM 906 C LEU A 59 11.826 18.877 -15.486 1.00 0.00 C ATOM 907 O LEU A 59 12.953 19.107 -15.023 1.00 0.00 O ATOM 908 CB LEU A 59 11.287 16.524 -14.703 1.00 0.00 C ATOM 909 CG LEU A 59 10.218 16.965 -13.660 1.00 0.00 C ATOM 910 CD1 LEU A 59 8.834 17.132 -14.315 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.156 15.975 -12.477 1.00 0.00 C ATOM 0 H LEU A 59 13.311 16.606 -16.360 1.00 0.00 H new ATOM 0 HA LEU A 59 10.490 17.479 -16.448 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.031 15.526 -15.059 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.250 16.445 -14.199 1.00 0.00 H new ATOM 0 HG LEU A 59 10.518 17.937 -13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.110 17.440 -13.561 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.890 17.890 -15.096 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.521 16.184 -14.752 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.402 16.307 -11.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.895 14.983 -12.846 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.128 15.935 -11.985 1.00 0.00 H new ATOM 923 N CYS A 60 10.882 19.819 -15.644 1.00 0.00 N ATOM 924 CA CYS A 60 11.060 21.214 -15.228 1.00 0.00 C ATOM 925 C CYS A 60 10.813 21.332 -13.714 1.00 0.00 C ATOM 926 O CYS A 60 9.745 21.750 -13.256 1.00 0.00 O ATOM 927 CB CYS A 60 10.126 22.118 -16.057 1.00 0.00 C ATOM 928 SG CYS A 60 10.336 21.892 -17.854 1.00 0.00 S ATOM 0 H CYS A 60 9.972 19.631 -16.065 1.00 0.00 H new ATOM 0 HA CYS A 60 12.081 21.546 -15.415 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.091 21.908 -15.787 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.316 23.160 -15.802 1.00 0.00 H new ATOM 0 HG CYS A 60 9.936 20.702 -18.191 1.00 0.00 H new