USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0352 (180deg=-0.217) USER MOD Single : A 4 THR OG1 : rot 162:sc= -1.07 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 15:sc= -0.356 USER MOD Single : A 16 GLN : amide:sc= -2.01 K(o=-2,f=-2.7) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 67:sc= -0.592 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 61:sc= 0.134 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.753 0.776 4.448 1.00 21.40 N ATOM 2 CA MET A 1 2.951 -0.035 4.265 1.00 45.04 C ATOM 3 C MET A 1 3.655 0.323 2.959 1.00 21.43 C ATOM 4 O MET A 1 4.880 0.250 2.863 1.00 23.35 O ATOM 5 CB MET A 1 2.593 -1.522 4.274 1.00 64.33 C ATOM 6 CG MET A 1 3.311 -2.314 5.355 1.00 43.41 C ATOM 7 SD MET A 1 2.185 -3.309 6.351 1.00 11.52 S ATOM 8 CE MET A 1 1.829 -2.176 7.692 1.00 14.12 C ATOM 0 H1 MET A 1 1.414 0.679 5.427 1.00 21.40 H new ATOM 0 H2 MET A 1 1.976 1.773 4.256 1.00 21.40 H new ATOM 0 H3 MET A 1 1.013 0.454 3.792 1.00 21.40 H new ATOM 0 HA MET A 1 3.630 0.172 5.092 1.00 45.04 H new ATOM 0 HB2 MET A 1 1.517 -1.627 4.412 1.00 64.33 H new ATOM 0 HB3 MET A 1 2.833 -1.951 3.301 1.00 64.33 H new ATOM 0 HG2 MET A 1 4.052 -2.965 4.891 1.00 43.41 H new ATOM 0 HG3 MET A 1 3.853 -1.626 6.004 1.00 43.41 H new ATOM 0 HE1 MET A 1 1.142 -2.648 8.395 1.00 14.12 H new ATOM 0 HE2 MET A 1 2.755 -1.919 8.207 1.00 14.12 H new ATOM 0 HE3 MET A 1 1.373 -1.271 7.292 1.00 14.12 H new ATOM 18 N ASP A 2 2.873 0.708 1.957 1.00 11.43 N ATOM 19 CA ASP A 2 3.421 1.078 0.658 1.00 45.14 C ATOM 20 C ASP A 2 2.618 2.214 0.032 1.00 62.01 C ATOM 21 O ASP A 2 1.425 2.360 0.294 1.00 72.23 O ATOM 22 CB ASP A 2 3.432 -0.132 -0.278 1.00 52.32 C ATOM 23 CG ASP A 2 2.178 -0.974 -0.150 1.00 13.32 C ATOM 24 OD1 ASP A 2 2.107 -1.794 0.789 1.00 20.14 O ATOM 25 OD2 ASP A 2 1.266 -0.812 -0.988 1.00 5.21 O ATOM 0 H ASP A 2 1.857 0.772 2.020 1.00 11.43 H new ATOM 0 HA ASP A 2 4.445 1.421 0.808 1.00 45.14 H new ATOM 0 HB2 ASP A 2 3.533 0.210 -1.308 1.00 52.32 H new ATOM 0 HB3 ASP A 2 4.304 -0.749 -0.060 1.00 52.32 H new ATOM 30 N GLU A 3 3.282 3.016 -0.795 1.00 31.01 N ATOM 31 CA GLU A 3 2.629 4.140 -1.456 1.00 21.11 C ATOM 32 C GLU A 3 3.503 4.694 -2.577 1.00 43.03 C ATOM 33 O GLU A 3 3.066 4.809 -3.723 1.00 31.22 O ATOM 34 CB GLU A 3 2.318 5.245 -0.444 1.00 33.51 C ATOM 35 CG GLU A 3 1.032 5.998 -0.741 1.00 71.43 C ATOM 36 CD GLU A 3 0.524 6.780 0.454 1.00 4.31 C ATOM 37 OE1 GLU A 3 0.837 6.385 1.597 1.00 1.40 O ATOM 38 OE2 GLU A 3 -0.185 7.787 0.247 1.00 32.43 O ATOM 0 H GLU A 3 4.270 2.908 -1.023 1.00 31.01 H new ATOM 0 HA GLU A 3 1.696 3.781 -1.890 1.00 21.11 H new ATOM 0 HB2 GLU A 3 2.250 4.806 0.551 1.00 33.51 H new ATOM 0 HB3 GLU A 3 3.147 5.952 -0.425 1.00 33.51 H new ATOM 0 HG2 GLU A 3 1.200 6.682 -1.573 1.00 71.43 H new ATOM 0 HG3 GLU A 3 0.266 5.290 -1.059 1.00 71.43 H new ATOM 45 N THR A 4 4.742 5.037 -2.239 1.00 44.42 N ATOM 46 CA THR A 4 5.678 5.581 -3.215 1.00 41.03 C ATOM 47 C THR A 4 7.102 5.580 -2.672 1.00 22.14 C ATOM 48 O THR A 4 7.385 6.192 -1.642 1.00 73.15 O ATOM 49 CB THR A 4 5.296 7.017 -3.620 1.00 4.41 C ATOM 50 OG1 THR A 4 6.280 7.553 -4.512 1.00 4.13 O ATOM 51 CG2 THR A 4 5.175 7.911 -2.395 1.00 22.24 C ATOM 0 H THR A 4 5.121 4.948 -1.296 1.00 44.42 H new ATOM 0 HA THR A 4 5.627 4.938 -4.094 1.00 41.03 H new ATOM 0 HB THR A 4 4.330 6.984 -4.123 1.00 4.41 H new ATOM 0 HG1 THR A 4 5.908 8.329 -4.981 1.00 4.13 H new ATOM 0 HG21 THR A 4 4.905 8.920 -2.706 1.00 22.24 H new ATOM 0 HG22 THR A 4 4.405 7.517 -1.732 1.00 22.24 H new ATOM 0 HG23 THR A 4 6.129 7.937 -1.868 1.00 22.24 H new ATOM 59 N GLY A 5 7.997 4.888 -3.371 1.00 3.34 N ATOM 60 CA GLY A 5 9.382 4.821 -2.942 1.00 42.42 C ATOM 61 C GLY A 5 10.033 3.497 -3.289 1.00 30.02 C ATOM 62 O GLY A 5 11.239 3.432 -3.527 1.00 42.51 O ATOM 0 H GLY A 5 7.788 4.373 -4.226 1.00 3.34 H new ATOM 0 HA2 GLY A 5 9.943 5.631 -3.408 1.00 42.42 H new ATOM 0 HA3 GLY A 5 9.433 4.976 -1.864 1.00 42.42 H new ATOM 66 N LYS A 6 9.234 2.436 -3.316 1.00 34.03 N ATOM 67 CA LYS A 6 9.738 1.106 -3.635 1.00 73.40 C ATOM 68 C LYS A 6 9.130 0.591 -4.936 1.00 15.12 C ATOM 69 O LYS A 6 7.910 0.486 -5.062 1.00 21.12 O ATOM 70 CB LYS A 6 9.428 0.133 -2.495 1.00 34.01 C ATOM 71 CG LYS A 6 7.974 0.156 -2.054 1.00 3.31 C ATOM 72 CD LYS A 6 7.414 -1.248 -1.904 1.00 65.31 C ATOM 73 CE LYS A 6 7.590 -1.770 -0.486 1.00 52.11 C ATOM 74 NZ LYS A 6 8.849 -2.550 -0.334 1.00 2.12 N ATOM 0 H LYS A 6 8.234 2.472 -3.121 1.00 34.03 H new ATOM 0 HA LYS A 6 10.818 1.175 -3.762 1.00 73.40 H new ATOM 0 HB2 LYS A 6 9.687 -0.878 -2.810 1.00 34.01 H new ATOM 0 HB3 LYS A 6 10.062 0.373 -1.641 1.00 34.01 H new ATOM 0 HG2 LYS A 6 7.889 0.686 -1.105 1.00 3.31 H new ATOM 0 HG3 LYS A 6 7.381 0.709 -2.782 1.00 3.31 H new ATOM 0 HD2 LYS A 6 6.356 -1.248 -2.164 1.00 65.31 H new ATOM 0 HD3 LYS A 6 7.914 -1.917 -2.604 1.00 65.31 H new ATOM 0 HE2 LYS A 6 7.596 -0.932 0.211 1.00 52.11 H new ATOM 0 HE3 LYS A 6 6.739 -2.399 -0.222 1.00 52.11 H new ATOM 0 HZ1 LYS A 6 8.932 -2.888 0.646 1.00 2.12 H new ATOM 0 HZ2 LYS A 6 8.833 -3.364 -0.981 1.00 2.12 H new ATOM 0 HZ3 LYS A 6 9.663 -1.943 -0.561 1.00 2.12 H new ATOM 88 N GLU A 7 9.988 0.271 -5.899 1.00 72.13 N ATOM 89 CA GLU A 7 9.533 -0.233 -7.190 1.00 22.43 C ATOM 90 C GLU A 7 8.495 0.701 -7.804 1.00 41.30 C ATOM 91 O GLU A 7 7.620 0.268 -8.555 1.00 44.24 O ATOM 92 CB GLU A 7 8.944 -1.637 -7.035 1.00 12.10 C ATOM 93 CG GLU A 7 9.856 -2.602 -6.297 1.00 60.20 C ATOM 94 CD GLU A 7 11.171 -2.829 -7.018 1.00 11.24 C ATOM 95 OE1 GLU A 7 11.171 -2.834 -8.266 1.00 75.32 O ATOM 96 OE2 GLU A 7 12.201 -3.000 -6.332 1.00 35.32 O ATOM 0 H GLU A 7 11.001 0.351 -5.810 1.00 72.13 H new ATOM 0 HA GLU A 7 10.394 -0.279 -7.857 1.00 22.43 H new ATOM 0 HB2 GLU A 7 7.996 -1.567 -6.502 1.00 12.10 H new ATOM 0 HB3 GLU A 7 8.725 -2.041 -8.023 1.00 12.10 H new ATOM 0 HG2 GLU A 7 10.056 -2.215 -5.298 1.00 60.20 H new ATOM 0 HG3 GLU A 7 9.345 -3.556 -6.173 1.00 60.20 H new ATOM 103 N LEU A 8 8.598 1.985 -7.479 1.00 11.21 N ATOM 104 CA LEU A 8 7.668 2.983 -7.998 1.00 22.44 C ATOM 105 C LEU A 8 8.419 4.154 -8.622 1.00 2.42 C ATOM 106 O LEU A 8 9.460 4.577 -8.119 1.00 2.14 O ATOM 107 CB LEU A 8 6.753 3.486 -6.880 1.00 23.24 C ATOM 108 CG LEU A 8 5.251 3.396 -7.150 1.00 41.34 C ATOM 109 CD1 LEU A 8 4.543 2.694 -6.002 1.00 53.14 C ATOM 110 CD2 LEU A 8 4.666 4.783 -7.372 1.00 54.32 C ATOM 0 H LEU A 8 9.316 2.360 -6.859 1.00 11.21 H new ATOM 0 HA LEU A 8 7.061 2.511 -8.771 1.00 22.44 H new ATOM 0 HB2 LEU A 8 6.974 2.920 -5.975 1.00 23.24 H new ATOM 0 HB3 LEU A 8 7.003 4.527 -6.674 1.00 23.24 H new ATOM 0 HG LEU A 8 5.098 2.809 -8.056 1.00 41.34 H new ATOM 0 HD11 LEU A 8 3.475 2.639 -6.212 1.00 53.14 H new ATOM 0 HD12 LEU A 8 4.943 1.686 -5.890 1.00 53.14 H new ATOM 0 HD13 LEU A 8 4.703 3.253 -5.080 1.00 53.14 H new ATOM 0 HD21 LEU A 8 3.596 4.700 -7.563 1.00 54.32 H new ATOM 0 HD22 LEU A 8 4.830 5.393 -6.484 1.00 54.32 H new ATOM 0 HD23 LEU A 8 5.152 5.250 -8.228 1.00 54.32 H new ATOM 122 N VAL A 9 7.883 4.677 -9.720 1.00 72.32 N ATOM 123 CA VAL A 9 8.500 5.802 -10.412 1.00 1.13 C ATOM 124 C VAL A 9 7.444 6.732 -11.000 1.00 25.25 C ATOM 125 O VAL A 9 6.432 6.279 -11.535 1.00 52.43 O ATOM 126 CB VAL A 9 9.433 5.324 -11.540 1.00 42.20 C ATOM 127 CG1 VAL A 9 10.669 4.652 -10.962 1.00 60.52 C ATOM 128 CG2 VAL A 9 8.694 4.383 -12.480 1.00 0.45 C ATOM 0 H VAL A 9 7.022 4.339 -10.150 1.00 72.32 H new ATOM 0 HA VAL A 9 9.087 6.346 -9.672 1.00 1.13 H new ATOM 0 HB VAL A 9 9.756 6.193 -12.113 1.00 42.20 H new ATOM 0 HG11 VAL A 9 11.316 4.321 -11.774 1.00 60.52 H new ATOM 0 HG12 VAL A 9 11.208 5.361 -10.334 1.00 60.52 H new ATOM 0 HG13 VAL A 9 10.369 3.792 -10.363 1.00 60.52 H new ATOM 0 HG21 VAL A 9 9.368 4.055 -13.271 1.00 0.45 H new ATOM 0 HG22 VAL A 9 8.340 3.516 -11.922 1.00 0.45 H new ATOM 0 HG23 VAL A 9 7.844 4.903 -12.921 1.00 0.45 H new ATOM 138 N LEU A 10 7.688 8.034 -10.897 1.00 34.34 N ATOM 139 CA LEU A 10 6.758 9.029 -11.419 1.00 11.31 C ATOM 140 C LEU A 10 7.454 9.958 -12.409 1.00 11.04 C ATOM 141 O LEU A 10 8.652 10.215 -12.296 1.00 61.05 O ATOM 142 CB LEU A 10 6.156 9.845 -10.273 1.00 24.10 C ATOM 143 CG LEU A 10 4.800 9.370 -9.751 1.00 53.33 C ATOM 144 CD1 LEU A 10 4.978 8.228 -8.763 1.00 74.03 C ATOM 145 CD2 LEU A 10 4.044 10.523 -9.106 1.00 75.35 C ATOM 0 H LEU A 10 8.521 8.425 -10.457 1.00 34.34 H new ATOM 0 HA LEU A 10 5.958 8.504 -11.942 1.00 11.31 H new ATOM 0 HB2 LEU A 10 6.863 9.845 -9.443 1.00 24.10 H new ATOM 0 HB3 LEU A 10 6.054 10.878 -10.604 1.00 24.10 H new ATOM 0 HG LEU A 10 4.215 9.004 -10.595 1.00 53.33 H new ATOM 0 HD11 LEU A 10 4.002 7.903 -8.402 1.00 74.03 H new ATOM 0 HD12 LEU A 10 5.478 7.395 -9.256 1.00 74.03 H new ATOM 0 HD13 LEU A 10 5.582 8.566 -7.921 1.00 74.03 H new ATOM 0 HD21 LEU A 10 3.081 10.167 -8.740 1.00 75.35 H new ATOM 0 HD22 LEU A 10 4.625 10.918 -8.273 1.00 75.35 H new ATOM 0 HD23 LEU A 10 3.884 11.310 -9.843 1.00 75.35 H new ATOM 157 N ALA A 11 6.694 10.460 -13.376 1.00 53.02 N ATOM 158 CA ALA A 11 7.236 11.364 -14.383 1.00 23.30 C ATOM 159 C ALA A 11 7.447 12.761 -13.810 1.00 51.10 C ATOM 160 O ALA A 11 6.533 13.349 -13.230 1.00 5.43 O ATOM 161 CB ALA A 11 6.315 11.420 -15.593 1.00 2.43 C ATOM 0 H ALA A 11 5.700 10.256 -13.484 1.00 53.02 H new ATOM 0 HA ALA A 11 8.206 10.979 -14.697 1.00 23.30 H new ATOM 0 HB1 ALA A 11 6.732 12.099 -16.337 1.00 2.43 H new ATOM 0 HB2 ALA A 11 6.220 10.423 -16.024 1.00 2.43 H new ATOM 0 HB3 ALA A 11 5.332 11.778 -15.286 1.00 2.43 H new ATOM 167 N LEU A 12 8.655 13.287 -13.976 1.00 3.35 N ATOM 168 CA LEU A 12 8.986 14.617 -13.474 1.00 23.41 C ATOM 169 C LEU A 12 8.593 15.692 -14.481 1.00 51.23 C ATOM 170 O LEU A 12 8.220 16.803 -14.104 1.00 52.43 O ATOM 171 CB LEU A 12 10.482 14.710 -13.169 1.00 3.23 C ATOM 172 CG LEU A 12 10.964 16.034 -12.574 1.00 65.13 C ATOM 173 CD1 LEU A 12 10.631 16.107 -11.092 1.00 74.34 C ATOM 174 CD2 LEU A 12 12.461 16.204 -12.795 1.00 35.02 C ATOM 0 H LEU A 12 9.422 12.814 -14.454 1.00 3.35 H new ATOM 0 HA LEU A 12 8.423 14.783 -12.555 1.00 23.41 H new ATOM 0 HB2 LEU A 12 10.742 13.908 -12.478 1.00 3.23 H new ATOM 0 HB3 LEU A 12 11.033 14.527 -14.092 1.00 3.23 H new ATOM 0 HG LEU A 12 10.446 16.848 -13.082 1.00 65.13 H new ATOM 0 HD11 LEU A 12 10.982 17.056 -10.687 1.00 74.34 H new ATOM 0 HD12 LEU A 12 9.552 16.032 -10.957 1.00 74.34 H new ATOM 0 HD13 LEU A 12 11.120 15.286 -10.568 1.00 74.34 H new ATOM 0 HD21 LEU A 12 12.787 17.151 -12.365 1.00 35.02 H new ATOM 0 HD22 LEU A 12 12.995 15.385 -12.314 1.00 35.02 H new ATOM 0 HD23 LEU A 12 12.674 16.198 -13.864 1.00 35.02 H new ATOM 186 N TYR A 13 8.677 15.354 -15.763 1.00 72.10 N ATOM 187 CA TYR A 13 8.330 16.291 -16.825 1.00 71.21 C ATOM 188 C TYR A 13 7.760 15.556 -18.035 1.00 14.34 C ATOM 189 O TYR A 13 6.783 15.999 -18.640 1.00 21.41 O ATOM 190 CB TYR A 13 9.559 17.102 -17.240 1.00 15.03 C ATOM 191 CG TYR A 13 9.493 18.554 -16.825 1.00 3.52 C ATOM 192 CD1 TYR A 13 9.839 18.945 -15.537 1.00 44.51 C ATOM 193 CD2 TYR A 13 9.085 19.536 -17.720 1.00 30.43 C ATOM 194 CE1 TYR A 13 9.781 20.271 -15.153 1.00 52.31 C ATOM 195 CE2 TYR A 13 9.025 20.864 -17.345 1.00 32.21 C ATOM 196 CZ TYR A 13 9.373 21.227 -16.061 1.00 24.33 C ATOM 197 OH TYR A 13 9.313 22.549 -15.683 1.00 64.51 O ATOM 0 H TYR A 13 8.982 14.438 -16.092 1.00 72.10 H new ATOM 0 HA TYR A 13 7.568 16.969 -16.442 1.00 71.21 H new ATOM 0 HB2 TYR A 13 10.448 16.648 -16.803 1.00 15.03 H new ATOM 0 HB3 TYR A 13 9.672 17.047 -18.323 1.00 15.03 H new ATOM 0 HD1 TYR A 13 10.159 18.200 -14.824 1.00 44.51 H new ATOM 0 HD2 TYR A 13 8.810 19.256 -18.726 1.00 30.43 H new ATOM 0 HE1 TYR A 13 10.053 20.558 -14.148 1.00 52.31 H new ATOM 0 HE2 TYR A 13 8.707 21.614 -18.054 1.00 32.21 H new ATOM 0 HH TYR A 13 9.008 23.092 -16.440 1.00 64.51 H new ATOM 207 N ASP A 14 8.376 14.432 -18.380 1.00 62.50 N ATOM 208 CA ASP A 14 7.930 13.633 -19.516 1.00 24.11 C ATOM 209 C ASP A 14 8.802 12.392 -19.683 1.00 34.10 C ATOM 210 O ASP A 14 10.028 12.485 -19.742 1.00 11.24 O ATOM 211 CB ASP A 14 7.960 14.468 -20.797 1.00 11.22 C ATOM 212 CG ASP A 14 7.894 13.613 -22.047 1.00 43.31 C ATOM 213 OD1 ASP A 14 6.865 12.936 -22.249 1.00 20.12 O ATOM 214 OD2 ASP A 14 8.873 13.621 -22.824 1.00 33.15 O ATOM 0 H ASP A 14 9.186 14.053 -17.890 1.00 62.50 H new ATOM 0 HA ASP A 14 6.906 13.313 -19.324 1.00 24.11 H new ATOM 0 HB2 ASP A 14 7.122 15.165 -20.793 1.00 11.22 H new ATOM 0 HB3 ASP A 14 8.872 15.065 -20.817 1.00 11.22 H new ATOM 219 N TYR A 15 8.160 11.231 -19.758 1.00 3.11 N ATOM 220 CA TYR A 15 8.877 9.971 -19.914 1.00 73.25 C ATOM 221 C TYR A 15 9.473 9.853 -21.314 1.00 1.42 C ATOM 222 O TYR A 15 9.381 10.780 -22.118 1.00 62.05 O ATOM 223 CB TYR A 15 7.941 8.791 -19.646 1.00 54.24 C ATOM 224 CG TYR A 15 8.277 8.026 -18.387 1.00 32.44 C ATOM 225 CD1 TYR A 15 9.358 7.153 -18.348 1.00 53.30 C ATOM 226 CD2 TYR A 15 7.513 8.174 -17.235 1.00 62.33 C ATOM 227 CE1 TYR A 15 9.668 6.451 -17.199 1.00 43.15 C ATOM 228 CE2 TYR A 15 7.817 7.477 -16.082 1.00 63.20 C ATOM 229 CZ TYR A 15 8.896 6.617 -16.069 1.00 75.31 C ATOM 230 OH TYR A 15 9.201 5.920 -14.923 1.00 31.44 O ATOM 0 H TYR A 15 7.145 11.137 -19.713 1.00 3.11 H new ATOM 0 HA TYR A 15 9.691 9.953 -19.189 1.00 73.25 H new ATOM 0 HB2 TYR A 15 6.917 9.159 -19.575 1.00 54.24 H new ATOM 0 HB3 TYR A 15 7.977 8.109 -20.496 1.00 54.24 H new ATOM 0 HD1 TYR A 15 9.966 7.021 -19.231 1.00 53.30 H new ATOM 0 HD2 TYR A 15 6.667 8.846 -17.242 1.00 62.33 H new ATOM 0 HE1 TYR A 15 10.511 5.776 -17.186 1.00 43.15 H new ATOM 0 HE2 TYR A 15 7.214 7.604 -15.195 1.00 63.20 H new ATOM 0 HH TYR A 15 10.105 5.549 -14.997 1.00 31.44 H new ATOM 240 N GLN A 16 10.084 8.707 -21.595 1.00 73.04 N ATOM 241 CA GLN A 16 10.695 8.467 -22.897 1.00 45.51 C ATOM 242 C GLN A 16 10.583 6.998 -23.289 1.00 70.04 C ATOM 243 O GLN A 16 10.741 6.109 -22.453 1.00 41.31 O ATOM 244 CB GLN A 16 12.165 8.892 -22.879 1.00 70.23 C ATOM 245 CG GLN A 16 12.992 8.175 -21.825 1.00 5.03 C ATOM 246 CD GLN A 16 14.070 7.296 -22.427 1.00 24.40 C ATOM 247 OE1 GLN A 16 15.203 7.734 -22.631 1.00 71.35 O ATOM 248 NE2 GLN A 16 13.724 6.046 -22.715 1.00 14.53 N ATOM 0 H GLN A 16 10.169 7.930 -20.939 1.00 73.04 H new ATOM 0 HA GLN A 16 10.160 9.063 -23.637 1.00 45.51 H new ATOM 0 HB2 GLN A 16 12.601 8.705 -23.860 1.00 70.23 H new ATOM 0 HB3 GLN A 16 12.222 9.966 -22.705 1.00 70.23 H new ATOM 0 HG2 GLN A 16 13.454 8.912 -21.168 1.00 5.03 H new ATOM 0 HG3 GLN A 16 12.334 7.565 -21.206 1.00 5.03 H new ATOM 0 HE21 GLN A 16 12.774 5.724 -22.530 1.00 14.53 H new ATOM 0 HE22 GLN A 16 14.408 5.408 -23.121 1.00 14.53 H new ATOM 257 N GLU A 17 10.308 6.751 -24.566 1.00 65.34 N ATOM 258 CA GLU A 17 10.174 5.388 -25.068 1.00 52.21 C ATOM 259 C GLU A 17 11.288 5.060 -26.057 1.00 65.12 C ATOM 260 O GLU A 17 11.142 5.258 -27.264 1.00 23.34 O ATOM 261 CB GLU A 17 8.811 5.200 -25.738 1.00 11.11 C ATOM 262 CG GLU A 17 8.477 6.281 -26.752 1.00 15.44 C ATOM 263 CD GLU A 17 8.158 5.717 -28.123 1.00 3.33 C ATOM 264 OE1 GLU A 17 7.022 5.239 -28.319 1.00 55.51 O ATOM 265 OE2 GLU A 17 9.047 5.754 -29.000 1.00 11.34 O ATOM 0 H GLU A 17 10.174 7.476 -25.271 1.00 65.34 H new ATOM 0 HA GLU A 17 10.252 4.707 -24.221 1.00 52.21 H new ATOM 0 HB2 GLU A 17 8.790 4.230 -26.234 1.00 11.11 H new ATOM 0 HB3 GLU A 17 8.037 5.182 -24.970 1.00 11.11 H new ATOM 0 HG2 GLU A 17 7.625 6.859 -26.394 1.00 15.44 H new ATOM 0 HG3 GLU A 17 9.318 6.970 -26.833 1.00 15.44 H new ATOM 272 N LYS A 18 12.403 4.558 -25.538 1.00 24.54 N ATOM 273 CA LYS A 18 13.544 4.200 -26.373 1.00 1.44 C ATOM 274 C LYS A 18 13.471 2.737 -26.797 1.00 20.04 C ATOM 275 O LYS A 18 14.465 2.014 -26.738 1.00 64.34 O ATOM 276 CB LYS A 18 14.853 4.460 -25.623 1.00 15.52 C ATOM 277 CG LYS A 18 16.054 4.631 -26.537 1.00 13.04 C ATOM 278 CD LYS A 18 17.346 4.244 -25.837 1.00 71.12 C ATOM 279 CE LYS A 18 17.981 5.437 -25.140 1.00 22.14 C ATOM 280 NZ LYS A 18 18.912 6.174 -26.038 1.00 70.15 N ATOM 0 H LYS A 18 12.541 4.390 -24.542 1.00 24.54 H new ATOM 0 HA LYS A 18 13.516 4.821 -27.268 1.00 1.44 H new ATOM 0 HB2 LYS A 18 14.741 5.356 -25.013 1.00 15.52 H new ATOM 0 HB3 LYS A 18 15.042 3.631 -24.940 1.00 15.52 H new ATOM 0 HG2 LYS A 18 15.924 4.018 -27.429 1.00 13.04 H new ATOM 0 HG3 LYS A 18 16.115 5.667 -26.869 1.00 13.04 H new ATOM 0 HD2 LYS A 18 17.145 3.460 -25.107 1.00 71.12 H new ATOM 0 HD3 LYS A 18 18.045 3.831 -26.564 1.00 71.12 H new ATOM 0 HE2 LYS A 18 17.199 6.113 -24.794 1.00 22.14 H new ATOM 0 HE3 LYS A 18 18.522 5.096 -24.257 1.00 22.14 H new ATOM 0 HZ1 LYS A 18 19.324 6.980 -25.525 1.00 70.15 H new ATOM 0 HZ2 LYS A 18 19.672 5.536 -26.349 1.00 70.15 H new ATOM 0 HZ3 LYS A 18 18.391 6.522 -26.868 1.00 70.15 H new ATOM 294 N SER A 19 12.288 2.308 -27.224 1.00 70.23 N ATOM 295 CA SER A 19 12.085 0.930 -27.656 1.00 62.20 C ATOM 296 C SER A 19 10.646 0.710 -28.113 1.00 63.11 C ATOM 297 O SER A 19 9.739 1.474 -27.782 1.00 61.40 O ATOM 298 CB SER A 19 12.425 -0.038 -26.521 1.00 2.11 C ATOM 299 OG SER A 19 13.505 -0.883 -26.878 1.00 4.15 O ATOM 0 H SER A 19 11.455 2.895 -27.280 1.00 70.23 H new ATOM 0 HA SER A 19 12.749 0.738 -28.499 1.00 62.20 H new ATOM 0 HB2 SER A 19 12.681 0.525 -25.623 1.00 2.11 H new ATOM 0 HB3 SER A 19 11.551 -0.642 -26.280 1.00 2.11 H new ATOM 0 HG SER A 19 14.322 -0.349 -26.969 1.00 4.15 H new ATOM 305 N PRO A 20 10.431 -0.360 -28.893 1.00 0.10 N ATOM 306 CA PRO A 20 9.105 -0.707 -29.413 1.00 11.14 C ATOM 307 C PRO A 20 8.162 -1.193 -28.317 1.00 62.42 C ATOM 308 O PRO A 20 6.948 -1.250 -28.511 1.00 33.43 O ATOM 309 CB PRO A 20 9.397 -1.834 -30.406 1.00 60.02 C ATOM 310 CG PRO A 20 10.671 -2.440 -29.928 1.00 20.13 C ATOM 311 CD PRO A 20 11.466 -1.314 -29.327 1.00 54.41 C ATOM 0 HA PRO A 20 8.604 0.152 -29.859 1.00 11.14 H new ATOM 0 HB2 PRO A 20 8.591 -2.567 -30.421 1.00 60.02 H new ATOM 0 HB3 PRO A 20 9.498 -1.451 -31.421 1.00 60.02 H new ATOM 0 HG2 PRO A 20 10.480 -3.219 -29.191 1.00 20.13 H new ATOM 0 HG3 PRO A 20 11.214 -2.906 -30.750 1.00 20.13 H new ATOM 0 HD2 PRO A 20 12.075 -1.654 -28.490 1.00 54.41 H new ATOM 0 HD3 PRO A 20 12.144 -0.868 -30.054 1.00 54.41 H new ATOM 319 N ARG A 21 8.729 -1.543 -27.167 1.00 41.41 N ATOM 320 CA ARG A 21 7.939 -2.025 -26.041 1.00 54.01 C ATOM 321 C ARG A 21 7.703 -0.911 -25.025 1.00 51.13 C ATOM 322 O ARG A 21 6.720 -0.931 -24.285 1.00 61.13 O ATOM 323 CB ARG A 21 8.640 -3.205 -25.366 1.00 62.02 C ATOM 324 CG ARG A 21 8.580 -4.492 -26.173 1.00 15.13 C ATOM 325 CD ARG A 21 9.798 -5.366 -25.919 1.00 74.22 C ATOM 326 NE ARG A 21 10.722 -5.359 -27.050 1.00 54.21 N ATOM 327 CZ ARG A 21 11.743 -6.199 -27.170 1.00 24.22 C ATOM 328 NH1 ARG A 21 11.971 -7.110 -26.233 1.00 55.41 N ATOM 329 NH2 ARG A 21 12.540 -6.130 -28.229 1.00 22.24 N ATOM 0 H ARG A 21 9.733 -1.502 -26.991 1.00 41.41 H new ATOM 0 HA ARG A 21 6.973 -2.355 -26.423 1.00 54.01 H new ATOM 0 HB2 ARG A 21 9.684 -2.945 -25.191 1.00 62.02 H new ATOM 0 HB3 ARG A 21 8.186 -3.377 -24.390 1.00 62.02 H new ATOM 0 HG2 ARG A 21 7.675 -5.043 -25.915 1.00 15.13 H new ATOM 0 HG3 ARG A 21 8.516 -4.254 -27.235 1.00 15.13 H new ATOM 0 HD2 ARG A 21 10.316 -5.016 -25.026 1.00 74.22 H new ATOM 0 HD3 ARG A 21 9.476 -6.388 -25.721 1.00 74.22 H new ATOM 0 HE ARG A 21 10.575 -4.671 -27.788 1.00 54.21 H new ATOM 0 HH11 ARG A 21 11.361 -7.167 -25.417 1.00 55.41 H new ATOM 0 HH12 ARG A 21 12.756 -7.754 -26.328 1.00 55.41 H new ATOM 0 HH21 ARG A 21 12.368 -5.431 -28.952 1.00 22.24 H new ATOM 0 HH22 ARG A 21 13.324 -6.776 -28.320 1.00 22.24 H new ATOM 343 N GLU A 22 8.612 0.059 -24.996 1.00 71.35 N ATOM 344 CA GLU A 22 8.503 1.180 -24.070 1.00 72.25 C ATOM 345 C GLU A 22 7.296 2.050 -24.410 1.00 2.23 C ATOM 346 O GLU A 22 6.587 1.796 -25.383 1.00 60.33 O ATOM 347 CB GLU A 22 9.779 2.023 -24.103 1.00 42.11 C ATOM 348 CG GLU A 22 10.983 1.329 -23.489 1.00 22.01 C ATOM 349 CD GLU A 22 12.208 2.222 -23.437 1.00 34.02 C ATOM 350 OE1 GLU A 22 12.066 3.402 -23.053 1.00 63.21 O ATOM 351 OE2 GLU A 22 13.308 1.740 -23.780 1.00 14.02 O ATOM 0 H GLU A 22 9.431 0.091 -25.603 1.00 71.35 H new ATOM 0 HA GLU A 22 8.368 0.778 -23.066 1.00 72.25 H new ATOM 0 HB2 GLU A 22 10.007 2.281 -25.137 1.00 42.11 H new ATOM 0 HB3 GLU A 22 9.600 2.959 -23.573 1.00 42.11 H new ATOM 0 HG2 GLU A 22 10.733 1.002 -22.480 1.00 22.01 H new ATOM 0 HG3 GLU A 22 11.215 0.434 -24.066 1.00 22.01 H new ATOM 358 N VAL A 23 7.069 3.079 -23.599 1.00 21.33 N ATOM 359 CA VAL A 23 5.949 3.988 -23.812 1.00 63.30 C ATOM 360 C VAL A 23 6.249 5.371 -23.245 1.00 52.05 C ATOM 361 O VAL A 23 6.840 5.501 -22.173 1.00 62.11 O ATOM 362 CB VAL A 23 4.658 3.449 -23.167 1.00 5.21 C ATOM 363 CG1 VAL A 23 4.098 2.292 -23.979 1.00 60.22 C ATOM 364 CG2 VAL A 23 4.919 3.026 -21.729 1.00 75.31 C ATOM 0 H VAL A 23 7.646 3.304 -22.789 1.00 21.33 H new ATOM 0 HA VAL A 23 5.803 4.064 -24.890 1.00 63.30 H new ATOM 0 HB VAL A 23 3.916 4.247 -23.158 1.00 5.21 H new ATOM 0 HG11 VAL A 23 3.186 1.925 -23.508 1.00 60.22 H new ATOM 0 HG12 VAL A 23 3.872 2.632 -24.990 1.00 60.22 H new ATOM 0 HG13 VAL A 23 4.833 1.488 -24.022 1.00 60.22 H new ATOM 0 HG21 VAL A 23 3.997 2.648 -21.288 1.00 75.31 H new ATOM 0 HG22 VAL A 23 5.677 2.243 -21.712 1.00 75.31 H new ATOM 0 HG23 VAL A 23 5.270 3.884 -21.155 1.00 75.31 H new ATOM 374 N THR A 24 5.836 6.405 -23.973 1.00 21.42 N ATOM 375 CA THR A 24 6.060 7.779 -23.544 1.00 3.22 C ATOM 376 C THR A 24 4.834 8.340 -22.833 1.00 2.24 C ATOM 377 O THR A 24 3.708 8.185 -23.302 1.00 75.15 O ATOM 378 CB THR A 24 6.410 8.690 -24.736 1.00 34.11 C ATOM 379 OG1 THR A 24 6.517 10.049 -24.299 1.00 5.31 O ATOM 380 CG2 THR A 24 5.353 8.584 -25.825 1.00 41.53 C ATOM 0 H THR A 24 5.345 6.316 -24.862 1.00 21.42 H new ATOM 0 HA THR A 24 6.901 7.760 -22.851 1.00 3.22 H new ATOM 0 HB THR A 24 7.366 8.365 -25.146 1.00 34.11 H new ATOM 0 HG1 THR A 24 6.741 10.621 -25.062 1.00 5.31 H new ATOM 0 HG21 THR A 24 5.621 9.236 -26.657 1.00 41.53 H new ATOM 0 HG22 THR A 24 5.294 7.554 -26.176 1.00 41.53 H new ATOM 0 HG23 THR A 24 4.386 8.887 -25.424 1.00 41.53 H new ATOM 388 N MET A 25 5.061 8.993 -21.698 1.00 4.34 N ATOM 389 CA MET A 25 3.974 9.579 -20.923 1.00 11.33 C ATOM 390 C MET A 25 4.330 10.991 -20.468 1.00 12.12 C ATOM 391 O MET A 25 5.502 11.366 -20.431 1.00 60.14 O ATOM 392 CB MET A 25 3.655 8.705 -19.709 1.00 23.34 C ATOM 393 CG MET A 25 3.351 7.258 -20.064 1.00 43.54 C ATOM 394 SD MET A 25 1.686 6.760 -19.584 1.00 43.21 S ATOM 395 CE MET A 25 0.713 7.560 -20.858 1.00 21.34 C ATOM 0 H MET A 25 5.988 9.130 -21.295 1.00 4.34 H new ATOM 0 HA MET A 25 3.094 9.634 -21.563 1.00 11.33 H new ATOM 0 HB2 MET A 25 4.500 8.732 -19.020 1.00 23.34 H new ATOM 0 HB3 MET A 25 2.800 9.128 -19.182 1.00 23.34 H new ATOM 0 HG2 MET A 25 3.472 7.118 -21.138 1.00 43.54 H new ATOM 0 HG3 MET A 25 4.076 6.608 -19.574 1.00 43.54 H new ATOM 0 HE1 MET A 25 -0.344 7.345 -20.698 1.00 21.34 H new ATOM 0 HE2 MET A 25 0.875 8.637 -20.817 1.00 21.34 H new ATOM 0 HE3 MET A 25 1.015 7.185 -21.836 1.00 21.34 H new ATOM 405 N LYS A 26 3.311 11.771 -20.122 1.00 21.24 N ATOM 406 CA LYS A 26 3.516 13.141 -19.668 1.00 13.31 C ATOM 407 C LYS A 26 3.832 13.179 -18.176 1.00 40.02 C ATOM 408 O LYS A 26 3.688 12.178 -17.475 1.00 34.44 O ATOM 409 CB LYS A 26 2.274 13.987 -19.958 1.00 52.23 C ATOM 410 CG LYS A 26 1.042 13.545 -19.187 1.00 25.40 C ATOM 411 CD LYS A 26 -0.233 14.074 -19.821 1.00 42.10 C ATOM 412 CE LYS A 26 -1.093 14.814 -18.808 1.00 40.43 C ATOM 413 NZ LYS A 26 -1.911 15.881 -19.450 1.00 32.34 N ATOM 0 H LYS A 26 2.335 11.477 -20.148 1.00 21.24 H new ATOM 0 HA LYS A 26 4.366 13.554 -20.212 1.00 13.31 H new ATOM 0 HB2 LYS A 26 2.489 15.028 -19.716 1.00 52.23 H new ATOM 0 HB3 LYS A 26 2.058 13.946 -21.026 1.00 52.23 H new ATOM 0 HG2 LYS A 26 1.006 12.456 -19.150 1.00 25.40 H new ATOM 0 HG3 LYS A 26 1.110 13.897 -18.158 1.00 25.40 H new ATOM 0 HD2 LYS A 26 0.019 14.743 -20.644 1.00 42.10 H new ATOM 0 HD3 LYS A 26 -0.800 13.246 -20.246 1.00 42.10 H new ATOM 0 HE2 LYS A 26 -1.751 14.106 -18.304 1.00 40.43 H new ATOM 0 HE3 LYS A 26 -0.454 15.256 -18.043 1.00 40.43 H new ATOM 0 HZ1 LYS A 26 -2.483 16.362 -18.727 1.00 32.34 H new ATOM 0 HZ2 LYS A 26 -1.283 16.571 -19.910 1.00 32.34 H new ATOM 0 HZ3 LYS A 26 -2.539 15.456 -20.162 1.00 32.34 H new ATOM 427 N LYS A 27 4.263 14.341 -17.697 1.00 30.13 N ATOM 428 CA LYS A 27 4.597 14.511 -16.288 1.00 23.13 C ATOM 429 C LYS A 27 3.459 14.026 -15.396 1.00 33.10 C ATOM 430 O LYS A 27 2.291 14.321 -15.647 1.00 43.55 O ATOM 431 CB LYS A 27 4.903 15.980 -15.989 1.00 10.35 C ATOM 432 CG LYS A 27 5.319 16.234 -14.550 1.00 45.31 C ATOM 433 CD LYS A 27 4.118 16.507 -13.661 1.00 54.25 C ATOM 434 CE LYS A 27 4.319 17.758 -12.819 1.00 65.43 C ATOM 435 NZ LYS A 27 3.530 17.710 -11.558 1.00 15.21 N ATOM 0 H LYS A 27 4.389 15.179 -18.264 1.00 30.13 H new ATOM 0 HA LYS A 27 5.482 13.911 -16.076 1.00 23.13 H new ATOM 0 HB2 LYS A 27 5.698 16.319 -16.653 1.00 10.35 H new ATOM 0 HB3 LYS A 27 4.021 16.579 -16.215 1.00 10.35 H new ATOM 0 HG2 LYS A 27 5.865 15.370 -14.170 1.00 45.31 H new ATOM 0 HG3 LYS A 27 6.001 17.083 -14.512 1.00 45.31 H new ATOM 0 HD2 LYS A 27 3.227 16.622 -14.278 1.00 54.25 H new ATOM 0 HD3 LYS A 27 3.946 15.652 -13.008 1.00 54.25 H new ATOM 0 HE2 LYS A 27 5.377 17.870 -12.581 1.00 65.43 H new ATOM 0 HE3 LYS A 27 4.028 18.635 -13.397 1.00 65.43 H new ATOM 0 HZ1 LYS A 27 3.694 18.580 -11.013 1.00 15.21 H new ATOM 0 HZ2 LYS A 27 2.518 17.629 -11.784 1.00 15.21 H new ATOM 0 HZ3 LYS A 27 3.826 16.887 -10.995 1.00 15.21 H new ATOM 449 N GLY A 28 3.807 13.280 -14.352 1.00 1.13 N ATOM 450 CA GLY A 28 2.803 12.768 -13.438 1.00 72.30 C ATOM 451 C GLY A 28 2.521 11.294 -13.654 1.00 13.03 C ATOM 452 O GLY A 28 1.954 10.630 -12.786 1.00 12.03 O ATOM 0 H GLY A 28 4.767 13.021 -14.123 1.00 1.13 H new ATOM 0 HA2 GLY A 28 3.136 12.925 -12.412 1.00 72.30 H new ATOM 0 HA3 GLY A 28 1.880 13.334 -13.563 1.00 72.30 H new ATOM 456 N ASP A 29 2.915 10.782 -14.814 1.00 63.50 N ATOM 457 CA ASP A 29 2.701 9.377 -15.142 1.00 22.23 C ATOM 458 C ASP A 29 3.439 8.471 -14.160 1.00 52.23 C ATOM 459 O ASP A 29 4.564 8.765 -13.755 1.00 71.03 O ATOM 460 CB ASP A 29 3.166 9.088 -16.570 1.00 30.41 C ATOM 461 CG ASP A 29 3.369 7.607 -16.824 1.00 73.21 C ATOM 462 OD1 ASP A 29 2.426 6.827 -16.574 1.00 34.10 O ATOM 463 OD2 ASP A 29 4.470 7.228 -17.274 1.00 70.20 O ATOM 0 H ASP A 29 3.384 11.319 -15.543 1.00 63.50 H new ATOM 0 HA ASP A 29 1.633 9.170 -15.067 1.00 22.23 H new ATOM 0 HB2 ASP A 29 2.431 9.477 -17.274 1.00 30.41 H new ATOM 0 HB3 ASP A 29 4.100 9.618 -16.759 1.00 30.41 H new ATOM 468 N ILE A 30 2.797 7.371 -13.782 1.00 23.03 N ATOM 469 CA ILE A 30 3.393 6.423 -12.848 1.00 53.20 C ATOM 470 C ILE A 30 3.763 5.120 -13.549 1.00 2.45 C ATOM 471 O ILE A 30 2.957 4.546 -14.282 1.00 24.01 O ATOM 472 CB ILE A 30 2.440 6.111 -11.678 1.00 44.35 C ATOM 473 CG1 ILE A 30 1.111 5.567 -12.206 1.00 23.23 C ATOM 474 CG2 ILE A 30 2.212 7.357 -10.835 1.00 74.22 C ATOM 475 CD1 ILE A 30 0.799 4.167 -11.726 1.00 30.41 C ATOM 0 H ILE A 30 1.865 7.114 -14.108 1.00 23.03 H new ATOM 0 HA ILE A 30 4.296 6.891 -12.456 1.00 53.20 H new ATOM 0 HB ILE A 30 2.898 5.349 -11.048 1.00 44.35 H new ATOM 0 HG12 ILE A 30 0.306 6.235 -11.900 1.00 23.23 H new ATOM 0 HG13 ILE A 30 1.132 5.573 -13.296 1.00 23.23 H new ATOM 0 HG21 ILE A 30 1.537 7.121 -10.012 1.00 74.22 H new ATOM 0 HG22 ILE A 30 3.164 7.705 -10.435 1.00 74.22 H new ATOM 0 HG23 ILE A 30 1.771 8.139 -11.453 1.00 74.22 H new ATOM 0 HD11 ILE A 30 -0.157 3.845 -12.139 1.00 30.41 H new ATOM 0 HD12 ILE A 30 1.584 3.486 -12.055 1.00 30.41 H new ATOM 0 HD13 ILE A 30 0.745 4.159 -10.637 1.00 30.41 H new ATOM 487 N LEU A 31 4.987 4.658 -13.317 1.00 33.24 N ATOM 488 CA LEU A 31 5.465 3.420 -13.924 1.00 14.51 C ATOM 489 C LEU A 31 5.873 2.412 -12.855 1.00 70.31 C ATOM 490 O LEU A 31 6.332 2.786 -11.775 1.00 71.42 O ATOM 491 CB LEU A 31 6.648 3.707 -14.849 1.00 43.43 C ATOM 492 CG LEU A 31 6.412 3.457 -16.339 1.00 54.21 C ATOM 493 CD1 LEU A 31 6.293 1.967 -16.618 1.00 33.13 C ATOM 494 CD2 LEU A 31 5.165 4.191 -16.812 1.00 2.13 C ATOM 0 H LEU A 31 5.666 5.122 -12.713 1.00 33.24 H new ATOM 0 HA LEU A 31 4.650 2.992 -14.508 1.00 14.51 H new ATOM 0 HB2 LEU A 31 6.941 4.749 -14.718 1.00 43.43 H new ATOM 0 HB3 LEU A 31 7.491 3.096 -14.528 1.00 43.43 H new ATOM 0 HG LEU A 31 7.268 3.842 -16.892 1.00 54.21 H new ATOM 0 HD11 LEU A 31 6.125 1.809 -17.683 1.00 33.13 H new ATOM 0 HD12 LEU A 31 7.213 1.466 -16.317 1.00 33.13 H new ATOM 0 HD13 LEU A 31 5.455 1.557 -16.054 1.00 33.13 H new ATOM 0 HD21 LEU A 31 5.012 4.002 -17.875 1.00 2.13 H new ATOM 0 HD22 LEU A 31 4.300 3.836 -16.252 1.00 2.13 H new ATOM 0 HD23 LEU A 31 5.289 5.261 -16.648 1.00 2.13 H new ATOM 506 N THR A 32 5.705 1.129 -13.164 1.00 11.53 N ATOM 507 CA THR A 32 6.057 0.066 -12.231 1.00 13.41 C ATOM 508 C THR A 32 7.464 -0.455 -12.497 1.00 2.13 C ATOM 509 O THR A 32 7.733 -1.037 -13.548 1.00 64.42 O ATOM 510 CB THR A 32 5.062 -1.107 -12.316 1.00 24.05 C ATOM 511 OG1 THR A 32 4.352 -1.059 -13.558 1.00 11.51 O ATOM 512 CG2 THR A 32 4.075 -1.064 -11.159 1.00 21.31 C ATOM 0 H THR A 32 5.327 0.802 -14.053 1.00 11.53 H new ATOM 0 HA THR A 32 6.016 0.496 -11.230 1.00 13.41 H new ATOM 0 HB THR A 32 5.626 -2.038 -12.257 1.00 24.05 H new ATOM 0 HG1 THR A 32 3.723 -1.809 -13.604 1.00 11.51 H new ATOM 0 HG21 THR A 32 3.382 -1.902 -11.240 1.00 21.31 H new ATOM 0 HG22 THR A 32 4.617 -1.131 -10.216 1.00 21.31 H new ATOM 0 HG23 THR A 32 3.517 -0.128 -11.191 1.00 21.31 H new ATOM 520 N LEU A 33 8.359 -0.243 -11.538 1.00 62.22 N ATOM 521 CA LEU A 33 9.741 -0.693 -11.669 1.00 11.05 C ATOM 522 C LEU A 33 9.868 -2.171 -11.313 1.00 42.13 C ATOM 523 O LEU A 33 9.461 -2.598 -10.232 1.00 52.01 O ATOM 524 CB LEU A 33 10.656 0.140 -10.769 1.00 41.04 C ATOM 525 CG LEU A 33 12.076 0.372 -11.288 1.00 12.13 C ATOM 526 CD1 LEU A 33 12.818 -0.949 -11.421 1.00 51.31 C ATOM 527 CD2 LEU A 33 12.044 1.105 -12.621 1.00 32.10 C ATOM 0 H LEU A 33 8.153 0.237 -10.662 1.00 62.22 H new ATOM 0 HA LEU A 33 10.044 -0.561 -12.708 1.00 11.05 H new ATOM 0 HB2 LEU A 33 10.187 1.110 -10.606 1.00 41.04 H new ATOM 0 HB3 LEU A 33 10.721 -0.350 -9.797 1.00 41.04 H new ATOM 0 HG LEU A 33 12.608 0.993 -10.568 1.00 12.13 H new ATOM 0 HD11 LEU A 33 13.826 -0.764 -11.791 1.00 51.31 H new ATOM 0 HD12 LEU A 33 12.873 -1.435 -10.447 1.00 51.31 H new ATOM 0 HD13 LEU A 33 12.287 -1.596 -12.120 1.00 51.31 H new ATOM 0 HD21 LEU A 33 13.063 1.261 -12.975 1.00 32.10 H new ATOM 0 HD22 LEU A 33 11.494 0.510 -13.350 1.00 32.10 H new ATOM 0 HD23 LEU A 33 11.552 2.069 -12.494 1.00 32.10 H new ATOM 539 N LEU A 34 10.438 -2.947 -12.229 1.00 34.03 N ATOM 540 CA LEU A 34 10.621 -4.378 -12.012 1.00 4.24 C ATOM 541 C LEU A 34 11.882 -4.647 -11.196 1.00 32.40 C ATOM 542 O LEU A 34 11.845 -5.366 -10.198 1.00 1.52 O ATOM 543 CB LEU A 34 10.701 -5.111 -13.352 1.00 10.12 C ATOM 544 CG LEU A 34 10.220 -6.562 -13.353 1.00 34.34 C ATOM 545 CD1 LEU A 34 11.073 -7.408 -12.420 1.00 73.11 C ATOM 546 CD2 LEU A 34 8.753 -6.638 -12.953 1.00 23.03 C ATOM 0 H LEU A 34 10.781 -2.609 -13.128 1.00 34.03 H new ATOM 0 HA LEU A 34 9.762 -4.749 -11.453 1.00 4.24 H new ATOM 0 HB2 LEU A 34 10.115 -4.554 -14.083 1.00 10.12 H new ATOM 0 HB3 LEU A 34 11.736 -5.092 -13.692 1.00 10.12 H new ATOM 0 HG LEU A 34 10.322 -6.958 -14.364 1.00 34.34 H new ATOM 0 HD11 LEU A 34 10.716 -8.438 -12.434 1.00 73.11 H new ATOM 0 HD12 LEU A 34 12.111 -7.380 -12.750 1.00 73.11 H new ATOM 0 HD13 LEU A 34 11.004 -7.014 -11.406 1.00 73.11 H new ATOM 0 HD21 LEU A 34 8.428 -7.678 -12.959 1.00 23.03 H new ATOM 0 HD22 LEU A 34 8.627 -6.224 -11.953 1.00 23.03 H new ATOM 0 HD23 LEU A 34 8.153 -6.066 -13.661 1.00 23.03 H new ATOM 558 N ASN A 35 12.996 -4.064 -11.627 1.00 75.44 N ATOM 559 CA ASN A 35 14.268 -4.240 -10.936 1.00 35.41 C ATOM 560 C ASN A 35 15.151 -3.008 -11.101 1.00 4.22 C ATOM 561 O ASN A 35 15.314 -2.491 -12.206 1.00 62.43 O ATOM 562 CB ASN A 35 14.994 -5.477 -11.468 1.00 31.53 C ATOM 563 CG ASN A 35 15.325 -6.470 -10.370 1.00 2.11 C ATOM 564 OD1 ASN A 35 14.445 -6.911 -9.631 1.00 22.43 O ATOM 565 ND2 ASN A 35 16.600 -6.825 -10.259 1.00 31.24 N ATOM 0 H ASN A 35 13.043 -3.466 -12.452 1.00 75.44 H new ATOM 0 HA ASN A 35 14.061 -4.377 -9.875 1.00 35.41 H new ATOM 0 HB2 ASN A 35 14.373 -5.964 -12.220 1.00 31.53 H new ATOM 0 HB3 ASN A 35 15.914 -5.169 -11.965 1.00 31.53 H new ATOM 0 HD21 ASN A 35 16.884 -7.489 -9.539 1.00 31.24 H new ATOM 0 HD22 ASN A 35 17.296 -6.434 -10.894 1.00 31.24 H new ATOM 572 N SER A 36 15.720 -2.542 -9.994 1.00 4.14 N ATOM 573 CA SER A 36 16.585 -1.368 -10.014 1.00 64.13 C ATOM 574 C SER A 36 18.023 -1.746 -9.669 1.00 35.31 C ATOM 575 O SER A 36 18.567 -1.307 -8.655 1.00 52.02 O ATOM 576 CB SER A 36 16.073 -0.314 -9.031 1.00 42.55 C ATOM 577 OG SER A 36 15.575 -0.917 -7.850 1.00 4.22 O ATOM 0 H SER A 36 15.598 -2.960 -9.071 1.00 4.14 H new ATOM 0 HA SER A 36 16.569 -0.953 -11.022 1.00 64.13 H new ATOM 0 HB2 SER A 36 16.879 0.375 -8.779 1.00 42.55 H new ATOM 0 HB3 SER A 36 15.286 0.275 -9.502 1.00 42.55 H new ATOM 0 HG SER A 36 15.255 -0.222 -7.237 1.00 4.22 H new ATOM 583 N THR A 37 18.633 -2.565 -10.520 1.00 23.33 N ATOM 584 CA THR A 37 20.006 -3.005 -10.306 1.00 2.45 C ATOM 585 C THR A 37 20.953 -1.815 -10.193 1.00 70.12 C ATOM 586 O THR A 37 21.617 -1.632 -9.174 1.00 34.33 O ATOM 587 CB THR A 37 20.487 -3.923 -11.445 1.00 54.33 C ATOM 588 OG1 THR A 37 19.529 -3.924 -12.510 1.00 34.44 O ATOM 589 CG2 THR A 37 20.697 -5.343 -10.944 1.00 23.34 C ATOM 0 H THR A 37 18.198 -2.937 -11.364 1.00 23.33 H new ATOM 0 HA THR A 37 20.016 -3.565 -9.371 1.00 2.45 H new ATOM 0 HB THR A 37 21.439 -3.541 -11.813 1.00 54.33 H new ATOM 0 HG1 THR A 37 19.432 -3.015 -12.863 1.00 34.44 H new ATOM 0 HG21 THR A 37 21.037 -5.973 -11.766 1.00 23.34 H new ATOM 0 HG22 THR A 37 21.447 -5.343 -10.153 1.00 23.34 H new ATOM 0 HG23 THR A 37 19.758 -5.733 -10.552 1.00 23.34 H new ATOM 597 N ASN A 38 21.010 -1.008 -11.248 1.00 33.32 N ATOM 598 CA ASN A 38 21.876 0.165 -11.267 1.00 31.11 C ATOM 599 C ASN A 38 21.076 1.436 -11.002 1.00 13.45 C ATOM 600 O ASN A 38 19.928 1.562 -11.430 1.00 2.12 O ATOM 601 CB ASN A 38 22.594 0.273 -12.614 1.00 30.53 C ATOM 602 CG ASN A 38 24.103 0.270 -12.466 1.00 63.40 C ATOM 603 OD1 ASN A 38 24.688 1.214 -11.935 1.00 30.34 O ATOM 604 ND2 ASN A 38 24.742 -0.795 -12.937 1.00 74.25 N ATOM 0 H ASN A 38 20.467 -1.145 -12.100 1.00 33.32 H new ATOM 0 HA ASN A 38 22.617 0.051 -10.476 1.00 31.11 H new ATOM 0 HB2 ASN A 38 22.292 -0.558 -13.251 1.00 30.53 H new ATOM 0 HB3 ASN A 38 22.283 1.189 -13.116 1.00 30.53 H new ATOM 0 HD21 ASN A 38 25.758 -0.853 -12.866 1.00 74.25 H new ATOM 0 HD22 ASN A 38 24.217 -1.555 -13.370 1.00 74.25 H new ATOM 611 N LYS A 39 21.689 2.378 -10.293 1.00 22.14 N ATOM 612 CA LYS A 39 21.037 3.641 -9.971 1.00 15.33 C ATOM 613 C LYS A 39 21.078 4.594 -11.161 1.00 72.13 C ATOM 614 O LYS A 39 20.202 5.445 -11.318 1.00 71.43 O ATOM 615 CB LYS A 39 21.709 4.292 -8.760 1.00 13.23 C ATOM 616 CG LYS A 39 23.160 4.670 -9.000 1.00 22.24 C ATOM 617 CD LYS A 39 23.774 5.331 -7.777 1.00 52.20 C ATOM 618 CE LYS A 39 25.283 5.465 -7.914 1.00 53.52 C ATOM 619 NZ LYS A 39 25.659 6.547 -8.866 1.00 10.43 N ATOM 0 H LYS A 39 22.638 2.290 -9.930 1.00 22.14 H new ATOM 0 HA LYS A 39 19.995 3.431 -9.731 1.00 15.33 H new ATOM 0 HB2 LYS A 39 21.151 5.186 -8.482 1.00 13.23 H new ATOM 0 HB3 LYS A 39 21.656 3.607 -7.914 1.00 13.23 H new ATOM 0 HG2 LYS A 39 23.731 3.778 -9.258 1.00 22.24 H new ATOM 0 HG3 LYS A 39 23.224 5.347 -9.852 1.00 22.24 H new ATOM 0 HD2 LYS A 39 23.332 6.317 -7.634 1.00 52.20 H new ATOM 0 HD3 LYS A 39 23.539 4.745 -6.889 1.00 52.20 H new ATOM 0 HE2 LYS A 39 25.719 5.673 -6.937 1.00 53.52 H new ATOM 0 HE3 LYS A 39 25.702 4.519 -8.256 1.00 53.52 H new ATOM 0 HZ1 LYS A 39 26.695 6.607 -8.932 1.00 10.43 H new ATOM 0 HZ2 LYS A 39 25.264 6.336 -9.805 1.00 10.43 H new ATOM 0 HZ3 LYS A 39 25.281 7.455 -8.527 1.00 10.43 H new ATOM 633 N ASP A 40 22.099 4.444 -11.998 1.00 1.34 N ATOM 634 CA ASP A 40 22.253 5.290 -13.176 1.00 33.22 C ATOM 635 C ASP A 40 21.342 4.819 -14.305 1.00 70.43 C ATOM 636 O ASP A 40 20.969 5.599 -15.181 1.00 71.12 O ATOM 637 CB ASP A 40 23.709 5.289 -13.644 1.00 12.10 C ATOM 638 CG ASP A 40 24.655 5.838 -12.594 1.00 53.33 C ATOM 639 OD1 ASP A 40 24.329 6.881 -11.990 1.00 13.11 O ATOM 640 OD2 ASP A 40 25.722 5.226 -12.378 1.00 34.12 O ATOM 0 H ASP A 40 22.832 3.744 -11.883 1.00 1.34 H new ATOM 0 HA ASP A 40 21.968 6.306 -12.903 1.00 33.22 H new ATOM 0 HB2 ASP A 40 24.005 4.271 -13.899 1.00 12.10 H new ATOM 0 HB3 ASP A 40 23.796 5.884 -14.553 1.00 12.10 H new ATOM 645 N TRP A 41 20.989 3.539 -14.279 1.00 23.54 N ATOM 646 CA TRP A 41 20.123 2.963 -15.301 1.00 40.23 C ATOM 647 C TRP A 41 19.034 2.102 -14.671 1.00 2.01 C ATOM 648 O TRP A 41 19.325 1.152 -13.944 1.00 71.24 O ATOM 649 CB TRP A 41 20.945 2.129 -16.285 1.00 22.43 C ATOM 650 CG TRP A 41 21.691 2.956 -17.288 1.00 11.15 C ATOM 651 CD1 TRP A 41 21.156 3.839 -18.182 1.00 31.30 C ATOM 652 CD2 TRP A 41 23.107 2.976 -17.499 1.00 12.32 C ATOM 653 NE1 TRP A 41 22.154 4.406 -18.937 1.00 1.33 N ATOM 654 CE2 TRP A 41 23.360 3.895 -18.536 1.00 61.35 C ATOM 655 CE3 TRP A 41 24.185 2.310 -16.911 1.00 63.22 C ATOM 656 CZ2 TRP A 41 24.647 4.160 -18.998 1.00 13.15 C ATOM 657 CZ3 TRP A 41 25.462 2.574 -17.370 1.00 53.22 C ATOM 658 CH2 TRP A 41 25.684 3.493 -18.404 1.00 50.23 C ATOM 0 H TRP A 41 21.289 2.880 -13.561 1.00 23.54 H new ATOM 0 HA TRP A 41 19.646 3.781 -15.840 1.00 40.23 H new ATOM 0 HB2 TRP A 41 21.656 1.519 -15.727 1.00 22.43 H new ATOM 0 HB3 TRP A 41 20.281 1.444 -16.812 1.00 22.43 H new ATOM 0 HD1 TRP A 41 20.103 4.059 -18.281 1.00 31.30 H new ATOM 0 HE1 TRP A 41 22.019 5.096 -19.676 1.00 1.33 H new ATOM 0 HE3 TRP A 41 24.024 1.601 -16.112 1.00 63.22 H new ATOM 0 HZ2 TRP A 41 24.820 4.866 -19.796 1.00 13.15 H new ATOM 0 HZ3 TRP A 41 26.303 2.063 -16.924 1.00 53.22 H new ATOM 0 HH2 TRP A 41 26.694 3.679 -18.739 1.00 50.23 H new ATOM 669 N TRP A 42 17.781 2.440 -14.953 1.00 64.14 N ATOM 670 CA TRP A 42 16.649 1.696 -14.413 1.00 40.11 C ATOM 671 C TRP A 42 15.830 1.062 -15.532 1.00 42.33 C ATOM 672 O TRP A 42 15.774 1.584 -16.646 1.00 62.33 O ATOM 673 CB TRP A 42 15.762 2.617 -13.574 1.00 34.54 C ATOM 674 CG TRP A 42 16.340 2.933 -12.227 1.00 53.15 C ATOM 675 CD1 TRP A 42 17.068 2.096 -11.431 1.00 44.42 C ATOM 676 CD2 TRP A 42 16.235 4.174 -11.520 1.00 63.52 C ATOM 677 NE1 TRP A 42 17.423 2.742 -10.271 1.00 44.23 N ATOM 678 CE2 TRP A 42 16.925 4.018 -10.302 1.00 22.20 C ATOM 679 CE3 TRP A 42 15.628 5.401 -11.798 1.00 42.11 C ATOM 680 CZ2 TRP A 42 17.022 5.043 -9.365 1.00 50.43 C ATOM 681 CZ3 TRP A 42 15.725 6.418 -10.867 1.00 71.13 C ATOM 682 CH2 TRP A 42 16.418 6.235 -9.663 1.00 70.44 C ATOM 0 H TRP A 42 17.523 3.224 -15.552 1.00 64.14 H new ATOM 0 HA TRP A 42 17.038 0.900 -13.778 1.00 40.11 H new ATOM 0 HB2 TRP A 42 15.598 3.547 -14.119 1.00 34.54 H new ATOM 0 HB3 TRP A 42 14.786 2.149 -13.442 1.00 34.54 H new ATOM 0 HD1 TRP A 42 17.327 1.077 -11.677 1.00 44.42 H new ATOM 0 HE1 TRP A 42 17.969 2.337 -9.510 1.00 44.23 H new ATOM 0 HE3 TRP A 42 15.093 5.552 -12.724 1.00 42.11 H new ATOM 0 HZ2 TRP A 42 17.555 4.903 -8.436 1.00 50.43 H new ATOM 0 HZ3 TRP A 42 15.258 7.370 -11.071 1.00 71.13 H new ATOM 0 HH2 TRP A 42 16.477 7.050 -8.957 1.00 70.44 H new ATOM 693 N LYS A 43 15.196 -0.065 -15.230 1.00 33.22 N ATOM 694 CA LYS A 43 14.378 -0.770 -16.210 1.00 31.12 C ATOM 695 C LYS A 43 12.983 -1.045 -15.657 1.00 71.14 C ATOM 696 O LYS A 43 12.832 -1.511 -14.528 1.00 3.42 O ATOM 697 CB LYS A 43 15.048 -2.086 -16.611 1.00 74.32 C ATOM 698 CG LYS A 43 15.110 -3.105 -15.486 1.00 50.13 C ATOM 699 CD LYS A 43 16.351 -3.976 -15.591 1.00 35.01 C ATOM 700 CE LYS A 43 16.022 -5.347 -16.161 1.00 62.32 C ATOM 701 NZ LYS A 43 17.084 -6.345 -15.852 1.00 75.23 N ATOM 0 H LYS A 43 15.233 -0.511 -14.313 1.00 33.22 H new ATOM 0 HA LYS A 43 14.282 -0.135 -17.091 1.00 31.12 H new ATOM 0 HB2 LYS A 43 14.506 -2.518 -17.452 1.00 74.32 H new ATOM 0 HB3 LYS A 43 16.060 -1.878 -16.957 1.00 74.32 H new ATOM 0 HG2 LYS A 43 15.107 -2.589 -14.526 1.00 50.13 H new ATOM 0 HG3 LYS A 43 14.220 -3.733 -15.513 1.00 50.13 H new ATOM 0 HD2 LYS A 43 17.089 -3.485 -16.225 1.00 35.01 H new ATOM 0 HD3 LYS A 43 16.802 -4.089 -14.605 1.00 35.01 H new ATOM 0 HE2 LYS A 43 15.071 -5.691 -15.754 1.00 62.32 H new ATOM 0 HE3 LYS A 43 15.898 -5.271 -17.241 1.00 62.32 H new ATOM 0 HZ1 LYS A 43 16.823 -7.266 -16.257 1.00 75.23 H new ATOM 0 HZ2 LYS A 43 17.986 -6.030 -16.262 1.00 75.23 H new ATOM 0 HZ3 LYS A 43 17.185 -6.436 -14.821 1.00 75.23 H new ATOM 715 N VAL A 44 11.965 -0.755 -16.462 1.00 21.51 N ATOM 716 CA VAL A 44 10.582 -0.974 -16.054 1.00 64.14 C ATOM 717 C VAL A 44 9.938 -2.087 -16.873 1.00 55.21 C ATOM 718 O VAL A 44 10.385 -2.397 -17.977 1.00 34.03 O ATOM 719 CB VAL A 44 9.744 0.309 -16.203 1.00 11.33 C ATOM 720 CG1 VAL A 44 10.246 1.388 -15.255 1.00 31.22 C ATOM 721 CG2 VAL A 44 9.770 0.799 -17.643 1.00 3.13 C ATOM 0 H VAL A 44 12.072 -0.368 -17.400 1.00 21.51 H new ATOM 0 HA VAL A 44 10.603 -1.265 -15.004 1.00 64.14 H new ATOM 0 HB VAL A 44 8.711 0.080 -15.940 1.00 11.33 H new ATOM 0 HG11 VAL A 44 9.642 2.287 -15.375 1.00 31.22 H new ATOM 0 HG12 VAL A 44 10.170 1.033 -14.227 1.00 31.22 H new ATOM 0 HG13 VAL A 44 11.287 1.617 -15.483 1.00 31.22 H new ATOM 0 HG21 VAL A 44 9.172 1.707 -17.729 1.00 3.13 H new ATOM 0 HG22 VAL A 44 10.798 1.012 -17.936 1.00 3.13 H new ATOM 0 HG23 VAL A 44 9.358 0.030 -18.297 1.00 3.13 H new ATOM 731 N GLU A 45 8.884 -2.683 -16.324 1.00 72.34 N ATOM 732 CA GLU A 45 8.177 -3.762 -17.005 1.00 25.42 C ATOM 733 C GLU A 45 6.669 -3.631 -16.814 1.00 42.42 C ATOM 734 O GLU A 45 6.189 -3.422 -15.700 1.00 52.31 O ATOM 735 CB GLU A 45 8.652 -5.121 -16.484 1.00 13.44 C ATOM 736 CG GLU A 45 10.066 -5.476 -16.910 1.00 71.35 C ATOM 737 CD GLU A 45 10.277 -6.972 -17.043 1.00 34.25 C ATOM 738 OE1 GLU A 45 9.460 -7.629 -17.721 1.00 62.24 O ATOM 739 OE2 GLU A 45 11.259 -7.485 -16.467 1.00 32.44 O ATOM 0 H GLU A 45 8.501 -2.437 -15.411 1.00 72.34 H new ATOM 0 HA GLU A 45 8.398 -3.691 -18.070 1.00 25.42 H new ATOM 0 HB2 GLU A 45 8.599 -5.122 -15.395 1.00 13.44 H new ATOM 0 HB3 GLU A 45 7.970 -5.895 -16.837 1.00 13.44 H new ATOM 0 HG2 GLU A 45 10.286 -4.996 -17.864 1.00 71.35 H new ATOM 0 HG3 GLU A 45 10.772 -5.077 -16.182 1.00 71.35 H new ATOM 746 N VAL A 46 5.927 -3.754 -17.910 1.00 41.32 N ATOM 747 CA VAL A 46 4.474 -3.649 -17.865 1.00 35.11 C ATOM 748 C VAL A 46 3.819 -4.693 -18.763 1.00 22.45 C ATOM 749 O VAL A 46 4.177 -4.834 -19.931 1.00 52.42 O ATOM 750 CB VAL A 46 3.998 -2.249 -18.294 1.00 50.54 C ATOM 751 CG1 VAL A 46 4.433 -1.951 -19.721 1.00 41.12 C ATOM 752 CG2 VAL A 46 2.488 -2.133 -18.154 1.00 13.33 C ATOM 0 H VAL A 46 6.309 -3.927 -18.840 1.00 41.32 H new ATOM 0 HA VAL A 46 4.177 -3.825 -16.831 1.00 35.11 H new ATOM 0 HB VAL A 46 4.459 -1.511 -17.637 1.00 50.54 H new ATOM 0 HG11 VAL A 46 4.088 -0.957 -20.007 1.00 41.12 H new ATOM 0 HG12 VAL A 46 5.520 -1.990 -19.785 1.00 41.12 H new ATOM 0 HG13 VAL A 46 4.003 -2.692 -20.395 1.00 41.12 H new ATOM 0 HG21 VAL A 46 2.170 -1.137 -18.462 1.00 13.33 H new ATOM 0 HG22 VAL A 46 2.006 -2.879 -18.785 1.00 13.33 H new ATOM 0 HG23 VAL A 46 2.205 -2.299 -17.115 1.00 13.33 H new ATOM 762 N ASN A 47 2.858 -5.424 -18.207 1.00 72.13 N ATOM 763 CA ASN A 47 2.153 -6.457 -18.958 1.00 15.41 C ATOM 764 C ASN A 47 3.129 -7.491 -19.509 1.00 30.42 C ATOM 765 O ASN A 47 3.009 -7.925 -20.655 1.00 1.30 O ATOM 766 CB ASN A 47 1.356 -5.829 -20.104 1.00 64.31 C ATOM 767 CG ASN A 47 0.114 -6.627 -20.450 1.00 21.52 C ATOM 768 OD1 ASN A 47 -0.168 -7.656 -19.835 1.00 4.14 O ATOM 769 ND2 ASN A 47 -0.636 -6.156 -21.439 1.00 43.21 N ATOM 0 H ASN A 47 2.550 -5.320 -17.240 1.00 72.13 H new ATOM 0 HA ASN A 47 1.465 -6.960 -18.278 1.00 15.41 H new ATOM 0 HB2 ASN A 47 1.068 -4.814 -19.829 1.00 64.31 H new ATOM 0 HB3 ASN A 47 1.992 -5.752 -20.986 1.00 64.31 H new ATOM 0 HD21 ASN A 47 -1.484 -6.651 -21.716 1.00 43.21 H new ATOM 0 HD22 ASN A 47 -0.365 -5.299 -21.921 1.00 43.21 H new ATOM 776 N ASP A 48 4.094 -7.883 -18.685 1.00 22.34 N ATOM 777 CA ASP A 48 5.091 -8.869 -19.088 1.00 11.40 C ATOM 778 C ASP A 48 5.934 -8.346 -20.247 1.00 54.12 C ATOM 779 O ASP A 48 6.195 -9.065 -21.211 1.00 72.44 O ATOM 780 CB ASP A 48 4.411 -10.180 -19.486 1.00 0.32 C ATOM 781 CG ASP A 48 5.304 -11.385 -19.267 1.00 4.23 C ATOM 782 OD1 ASP A 48 5.772 -11.578 -18.125 1.00 13.45 O ATOM 783 OD2 ASP A 48 5.536 -12.136 -20.237 1.00 54.42 O ATOM 0 H ASP A 48 4.208 -7.533 -17.734 1.00 22.34 H new ATOM 0 HA ASP A 48 5.748 -9.054 -18.238 1.00 11.40 H new ATOM 0 HB2 ASP A 48 3.495 -10.301 -18.908 1.00 0.32 H new ATOM 0 HB3 ASP A 48 4.122 -10.132 -20.536 1.00 0.32 H new ATOM 788 N ARG A 49 6.355 -7.090 -20.146 1.00 50.43 N ATOM 789 CA ARG A 49 7.166 -6.470 -21.187 1.00 41.14 C ATOM 790 C ARG A 49 8.397 -5.796 -20.589 1.00 24.45 C ATOM 791 O ARG A 49 8.484 -5.608 -19.376 1.00 4.24 O ATOM 792 CB ARG A 49 6.339 -5.445 -21.966 1.00 31.22 C ATOM 793 CG ARG A 49 5.042 -6.007 -22.524 1.00 35.02 C ATOM 794 CD ARG A 49 5.062 -6.052 -24.044 1.00 11.53 C ATOM 795 NE ARG A 49 3.837 -6.630 -24.591 1.00 5.32 N ATOM 796 CZ ARG A 49 3.580 -7.933 -24.598 1.00 54.22 C ATOM 797 NH1 ARG A 49 4.456 -8.788 -24.090 1.00 70.33 N ATOM 798 NH2 ARG A 49 2.443 -8.382 -25.114 1.00 73.41 N ATOM 0 H ARG A 49 6.148 -6.482 -19.354 1.00 50.43 H new ATOM 0 HA ARG A 49 7.497 -7.254 -21.868 1.00 41.14 H new ATOM 0 HB2 ARG A 49 6.109 -4.604 -21.312 1.00 31.22 H new ATOM 0 HB3 ARG A 49 6.940 -5.055 -22.788 1.00 31.22 H new ATOM 0 HG2 ARG A 49 4.881 -7.011 -22.131 1.00 35.02 H new ATOM 0 HG3 ARG A 49 4.205 -5.395 -22.188 1.00 35.02 H new ATOM 0 HD2 ARG A 49 5.193 -5.043 -24.435 1.00 11.53 H new ATOM 0 HD3 ARG A 49 5.919 -6.637 -24.378 1.00 11.53 H new ATOM 0 HE ARG A 49 3.142 -5.999 -24.989 1.00 5.32 H new ATOM 0 HH11 ARG A 49 5.331 -8.446 -23.692 1.00 70.33 H new ATOM 0 HH12 ARG A 49 4.256 -9.788 -24.097 1.00 70.33 H new ATOM 0 HH21 ARG A 49 1.767 -7.726 -25.505 1.00 73.41 H new ATOM 0 HH22 ARG A 49 2.245 -9.383 -25.119 1.00 73.41 H new ATOM 812 N GLN A 50 9.346 -5.437 -21.448 1.00 33.23 N ATOM 813 CA GLN A 50 10.572 -4.786 -21.003 1.00 22.13 C ATOM 814 C GLN A 50 10.736 -3.422 -21.665 1.00 73.23 C ATOM 815 O GLN A 50 10.192 -3.174 -22.741 1.00 20.23 O ATOM 816 CB GLN A 50 11.784 -5.666 -21.314 1.00 72.34 C ATOM 817 CG GLN A 50 11.971 -5.940 -22.798 1.00 22.42 C ATOM 818 CD GLN A 50 13.162 -6.835 -23.080 1.00 44.52 C ATOM 819 OE1 GLN A 50 13.124 -8.039 -22.825 1.00 11.51 O ATOM 820 NE2 GLN A 50 14.230 -6.249 -23.610 1.00 70.02 N ATOM 0 H GLN A 50 9.289 -5.586 -22.455 1.00 33.23 H new ATOM 0 HA GLN A 50 10.505 -4.640 -19.925 1.00 22.13 H new ATOM 0 HB2 GLN A 50 12.682 -5.185 -20.926 1.00 72.34 H new ATOM 0 HB3 GLN A 50 11.678 -6.615 -20.788 1.00 72.34 H new ATOM 0 HG2 GLN A 50 11.069 -6.406 -23.194 1.00 22.42 H new ATOM 0 HG3 GLN A 50 12.099 -4.994 -23.325 1.00 22.42 H new ATOM 0 HE21 GLN A 50 14.218 -5.248 -23.805 1.00 70.02 H new ATOM 0 HE22 GLN A 50 15.062 -6.800 -23.822 1.00 70.02 H new ATOM 829 N GLY A 51 11.489 -2.540 -21.015 1.00 73.11 N ATOM 830 CA GLY A 51 11.710 -1.212 -21.556 1.00 52.21 C ATOM 831 C GLY A 51 13.132 -0.731 -21.349 1.00 44.14 C ATOM 832 O GLY A 51 14.067 -1.531 -21.316 1.00 64.34 O ATOM 0 H GLY A 51 11.950 -2.722 -20.123 1.00 73.11 H new ATOM 0 HA2 GLY A 51 11.482 -1.215 -22.622 1.00 52.21 H new ATOM 0 HA3 GLY A 51 11.021 -0.512 -21.085 1.00 52.21 H new ATOM 836 N PHE A 52 13.298 0.580 -21.211 1.00 51.43 N ATOM 837 CA PHE A 52 14.617 1.167 -21.010 1.00 4.35 C ATOM 838 C PHE A 52 14.522 2.683 -20.863 1.00 12.20 C ATOM 839 O PHE A 52 14.375 3.406 -21.849 1.00 70.50 O ATOM 840 CB PHE A 52 15.540 0.814 -22.178 1.00 23.24 C ATOM 841 CG PHE A 52 16.933 0.446 -21.751 1.00 52.14 C ATOM 842 CD1 PHE A 52 17.715 1.345 -21.044 1.00 61.32 C ATOM 843 CD2 PHE A 52 17.460 -0.798 -22.058 1.00 74.25 C ATOM 844 CE1 PHE A 52 18.997 1.009 -20.650 1.00 51.31 C ATOM 845 CE2 PHE A 52 18.740 -1.139 -21.667 1.00 23.23 C ATOM 846 CZ PHE A 52 19.510 -0.234 -20.963 1.00 4.02 C ATOM 0 H PHE A 52 12.535 1.256 -21.235 1.00 51.43 H new ATOM 0 HA PHE A 52 15.033 0.756 -20.090 1.00 4.35 H new ATOM 0 HB2 PHE A 52 15.107 -0.018 -22.734 1.00 23.24 H new ATOM 0 HB3 PHE A 52 15.590 1.662 -22.861 1.00 23.24 H new ATOM 0 HD1 PHE A 52 17.319 2.319 -20.798 1.00 61.32 H new ATOM 0 HD2 PHE A 52 16.863 -1.509 -22.609 1.00 74.25 H new ATOM 0 HE1 PHE A 52 19.596 1.718 -20.098 1.00 51.31 H new ATOM 0 HE2 PHE A 52 19.138 -2.113 -21.912 1.00 23.23 H new ATOM 0 HZ PHE A 52 20.512 -0.498 -20.658 1.00 4.02 H new ATOM 856 N VAL A 53 14.605 3.158 -19.624 1.00 45.54 N ATOM 857 CA VAL A 53 14.529 4.588 -19.347 1.00 60.22 C ATOM 858 C VAL A 53 15.645 5.026 -18.406 1.00 25.41 C ATOM 859 O VAL A 53 15.911 4.395 -17.382 1.00 64.05 O ATOM 860 CB VAL A 53 13.171 4.967 -18.727 1.00 42.51 C ATOM 861 CG1 VAL A 53 13.104 6.464 -18.464 1.00 52.23 C ATOM 862 CG2 VAL A 53 12.031 4.525 -19.631 1.00 34.40 C ATOM 0 H VAL A 53 14.725 2.574 -18.796 1.00 45.54 H new ATOM 0 HA VAL A 53 14.641 5.102 -20.302 1.00 60.22 H new ATOM 0 HB VAL A 53 13.069 4.449 -17.773 1.00 42.51 H new ATOM 0 HG11 VAL A 53 12.138 6.714 -18.026 1.00 52.23 H new ATOM 0 HG12 VAL A 53 13.899 6.748 -17.775 1.00 52.23 H new ATOM 0 HG13 VAL A 53 13.227 7.004 -19.403 1.00 52.23 H new ATOM 0 HG21 VAL A 53 11.079 4.801 -19.177 1.00 34.40 H new ATOM 0 HG22 VAL A 53 12.126 5.013 -20.601 1.00 34.40 H new ATOM 0 HG23 VAL A 53 12.070 3.444 -19.764 1.00 34.40 H new ATOM 872 N PRO A 54 16.316 6.133 -18.758 1.00 20.31 N ATOM 873 CA PRO A 54 17.415 6.681 -17.957 1.00 73.11 C ATOM 874 C PRO A 54 16.931 7.275 -16.639 1.00 32.24 C ATOM 875 O PRO A 54 15.914 7.967 -16.595 1.00 21.31 O ATOM 876 CB PRO A 54 17.996 7.775 -18.855 1.00 44.51 C ATOM 877 CG PRO A 54 16.868 8.178 -19.741 1.00 1.45 C ATOM 878 CD PRO A 54 16.053 6.935 -19.964 1.00 71.24 C ATOM 0 HA PRO A 54 18.136 5.914 -17.675 1.00 73.11 H new ATOM 0 HB2 PRO A 54 18.358 8.618 -18.267 1.00 44.51 H new ATOM 0 HB3 PRO A 54 18.841 7.404 -19.435 1.00 44.51 H new ATOM 0 HG2 PRO A 54 16.268 8.960 -19.277 1.00 1.45 H new ATOM 0 HG3 PRO A 54 17.237 8.577 -20.686 1.00 1.45 H new ATOM 0 HD2 PRO A 54 14.993 7.164 -20.071 1.00 71.24 H new ATOM 0 HD3 PRO A 54 16.359 6.411 -20.870 1.00 71.24 H new ATOM 886 N ALA A 55 17.666 7.000 -15.566 1.00 50.31 N ATOM 887 CA ALA A 55 17.313 7.510 -14.247 1.00 34.11 C ATOM 888 C ALA A 55 17.119 9.022 -14.276 1.00 42.24 C ATOM 889 O ALA A 55 16.307 9.568 -13.531 1.00 12.15 O ATOM 890 CB ALA A 55 18.381 7.132 -13.232 1.00 1.23 C ATOM 0 H ALA A 55 18.510 6.427 -15.585 1.00 50.31 H new ATOM 0 HA ALA A 55 16.368 7.055 -13.950 1.00 34.11 H new ATOM 0 HB1 ALA A 55 18.104 7.519 -12.251 1.00 1.23 H new ATOM 0 HB2 ALA A 55 18.468 6.047 -13.182 1.00 1.23 H new ATOM 0 HB3 ALA A 55 19.337 7.559 -13.534 1.00 1.23 H new ATOM 896 N ALA A 56 17.871 9.694 -15.142 1.00 65.42 N ATOM 897 CA ALA A 56 17.781 11.143 -15.269 1.00 64.22 C ATOM 898 C ALA A 56 16.361 11.576 -15.614 1.00 53.42 C ATOM 899 O ALA A 56 15.959 12.705 -15.329 1.00 63.02 O ATOM 900 CB ALA A 56 18.758 11.642 -16.324 1.00 23.14 C ATOM 0 H ALA A 56 18.549 9.257 -15.766 1.00 65.42 H new ATOM 0 HA ALA A 56 18.044 11.584 -14.308 1.00 64.22 H new ATOM 0 HB1 ALA A 56 18.680 12.726 -16.408 1.00 23.14 H new ATOM 0 HB2 ALA A 56 19.774 11.373 -16.035 1.00 23.14 H new ATOM 0 HB3 ALA A 56 18.521 11.185 -17.285 1.00 23.14 H new ATOM 906 N TYR A 57 15.605 10.674 -16.229 1.00 72.14 N ATOM 907 CA TYR A 57 14.229 10.965 -16.616 1.00 64.31 C ATOM 908 C TYR A 57 13.244 10.184 -15.752 1.00 72.10 C ATOM 909 O TYR A 57 12.093 9.976 -16.136 1.00 15.54 O ATOM 910 CB TYR A 57 14.010 10.627 -18.092 1.00 20.23 C ATOM 911 CG TYR A 57 14.497 11.701 -19.038 1.00 13.23 C ATOM 912 CD1 TYR A 57 15.823 11.741 -19.452 1.00 15.13 C ATOM 913 CD2 TYR A 57 13.631 12.677 -19.517 1.00 23.11 C ATOM 914 CE1 TYR A 57 16.272 12.721 -20.315 1.00 50.24 C ATOM 915 CE2 TYR A 57 14.072 13.660 -20.382 1.00 34.31 C ATOM 916 CZ TYR A 57 15.393 13.678 -20.778 1.00 73.11 C ATOM 917 OH TYR A 57 15.835 14.656 -21.639 1.00 5.25 O ATOM 0 H TYR A 57 15.921 9.735 -16.471 1.00 72.14 H new ATOM 0 HA TYR A 57 14.053 12.030 -16.464 1.00 64.31 H new ATOM 0 HB2 TYR A 57 14.522 9.693 -18.322 1.00 20.23 H new ATOM 0 HB3 TYR A 57 12.947 10.458 -18.264 1.00 20.23 H new ATOM 0 HD1 TYR A 57 16.514 10.993 -19.093 1.00 15.13 H new ATOM 0 HD2 TYR A 57 12.596 12.667 -19.208 1.00 23.11 H new ATOM 0 HE1 TYR A 57 17.306 12.738 -20.626 1.00 50.24 H new ATOM 0 HE2 TYR A 57 13.386 14.410 -20.746 1.00 34.31 H new ATOM 0 HH TYR A 57 15.090 15.250 -21.870 1.00 5.25 H new ATOM 927 N VAL A 58 13.705 9.753 -14.582 1.00 12.41 N ATOM 928 CA VAL A 58 12.865 8.997 -13.661 1.00 21.21 C ATOM 929 C VAL A 58 12.940 9.572 -12.251 1.00 34.52 C ATOM 930 O VAL A 58 13.940 10.179 -11.868 1.00 32.12 O ATOM 931 CB VAL A 58 13.273 7.512 -13.621 1.00 14.04 C ATOM 932 CG1 VAL A 58 12.243 6.696 -12.854 1.00 1.24 C ATOM 933 CG2 VAL A 58 13.451 6.970 -15.031 1.00 11.41 C ATOM 0 H VAL A 58 14.656 9.915 -14.250 1.00 12.41 H new ATOM 0 HA VAL A 58 11.842 9.075 -14.028 1.00 21.21 H new ATOM 0 HB VAL A 58 14.228 7.429 -13.101 1.00 14.04 H new ATOM 0 HG11 VAL A 58 12.548 5.650 -12.836 1.00 1.24 H new ATOM 0 HG12 VAL A 58 12.170 7.070 -11.833 1.00 1.24 H new ATOM 0 HG13 VAL A 58 11.273 6.783 -13.343 1.00 1.24 H new ATOM 0 HG21 VAL A 58 13.739 5.920 -14.983 1.00 11.41 H new ATOM 0 HG22 VAL A 58 12.513 7.065 -15.578 1.00 11.41 H new ATOM 0 HG23 VAL A 58 14.229 7.537 -15.543 1.00 11.41 H new ATOM 943 N LYS A 59 11.875 9.376 -11.481 1.00 34.50 N ATOM 944 CA LYS A 59 11.818 9.872 -10.111 1.00 42.23 C ATOM 945 C LYS A 59 11.210 8.829 -9.179 1.00 4.11 C ATOM 946 O LYS A 59 10.068 8.409 -9.361 1.00 74.33 O ATOM 947 CB LYS A 59 11.002 11.165 -10.049 1.00 34.01 C ATOM 948 CG LYS A 59 11.743 12.322 -9.403 1.00 3.33 C ATOM 949 CD LYS A 59 11.581 12.315 -7.892 1.00 21.41 C ATOM 950 CE LYS A 59 12.640 13.170 -7.213 1.00 62.42 C ATOM 951 NZ LYS A 59 12.345 14.624 -7.341 1.00 71.42 N ATOM 0 H LYS A 59 11.039 8.876 -11.783 1.00 34.50 H new ATOM 0 HA LYS A 59 12.837 10.076 -9.782 1.00 42.23 H new ATOM 0 HB2 LYS A 59 10.711 11.450 -11.060 1.00 34.01 H new ATOM 0 HB3 LYS A 59 10.083 10.978 -9.494 1.00 34.01 H new ATOM 0 HG2 LYS A 59 12.802 12.264 -9.656 1.00 3.33 H new ATOM 0 HG3 LYS A 59 11.370 13.264 -9.805 1.00 3.33 H new ATOM 0 HD2 LYS A 59 10.590 12.685 -7.630 1.00 21.41 H new ATOM 0 HD3 LYS A 59 11.647 11.292 -7.523 1.00 21.41 H new ATOM 0 HE2 LYS A 59 12.700 12.903 -6.158 1.00 62.42 H new ATOM 0 HE3 LYS A 59 13.615 12.957 -7.652 1.00 62.42 H new ATOM 0 HZ1 LYS A 59 13.090 15.172 -6.865 1.00 71.42 H new ATOM 0 HZ2 LYS A 59 12.312 14.884 -8.347 1.00 71.42 H new ATOM 0 HZ3 LYS A 59 11.427 14.832 -6.900 1.00 71.42 H new ATOM 965 N LYS A 60 11.981 8.416 -8.178 1.00 72.14 N ATOM 966 CA LYS A 60 11.518 7.424 -7.215 1.00 2.11 C ATOM 967 C LYS A 60 10.891 8.098 -5.999 1.00 10.22 C ATOM 968 O LYS A 60 11.300 9.190 -5.602 1.00 11.13 O ATOM 969 CB LYS A 60 12.680 6.531 -6.774 1.00 32.13 C ATOM 970 CG LYS A 60 12.312 5.061 -6.673 1.00 64.53 C ATOM 971 CD LYS A 60 13.425 4.250 -6.030 1.00 44.32 C ATOM 972 CE LYS A 60 14.511 3.899 -7.036 1.00 22.44 C ATOM 973 NZ LYS A 60 14.144 2.711 -7.856 1.00 0.21 N ATOM 0 H LYS A 60 12.929 8.753 -8.013 1.00 72.14 H new ATOM 0 HA LYS A 60 10.759 6.810 -7.699 1.00 2.11 H new ATOM 0 HB2 LYS A 60 13.502 6.643 -7.481 1.00 32.13 H new ATOM 0 HB3 LYS A 60 13.043 6.874 -5.805 1.00 32.13 H new ATOM 0 HG2 LYS A 60 11.398 4.953 -6.089 1.00 64.53 H new ATOM 0 HG3 LYS A 60 12.103 4.668 -7.668 1.00 64.53 H new ATOM 0 HD2 LYS A 60 13.860 4.816 -5.206 1.00 44.32 H new ATOM 0 HD3 LYS A 60 13.012 3.335 -5.605 1.00 44.32 H new ATOM 0 HE2 LYS A 60 14.689 4.752 -7.691 1.00 22.44 H new ATOM 0 HE3 LYS A 60 15.445 3.702 -6.509 1.00 22.44 H new ATOM 0 HZ1 LYS A 60 14.909 2.504 -8.529 1.00 0.21 H new ATOM 0 HZ2 LYS A 60 13.999 1.891 -7.233 1.00 0.21 H new ATOM 0 HZ3 LYS A 60 13.267 2.908 -8.379 1.00 0.21 H new ATOM 987 N LEU A 61 9.898 7.441 -5.411 1.00 33.14 N ATOM 988 CA LEU A 61 9.215 7.976 -4.238 1.00 12.12 C ATOM 989 C LEU A 61 8.501 9.282 -4.572 1.00 74.22 C ATOM 990 O LEU A 61 8.375 10.167 -3.725 1.00 70.45 O ATOM 991 CB LEU A 61 10.213 8.204 -3.102 1.00 4.23 C ATOM 992 CG LEU A 61 9.613 8.388 -1.707 1.00 62.23 C ATOM 993 CD1 LEU A 61 10.228 7.400 -0.727 1.00 54.34 C ATOM 994 CD2 LEU A 61 9.814 9.817 -1.224 1.00 63.31 C ATOM 0 H LEU A 61 9.547 6.537 -5.727 1.00 33.14 H new ATOM 0 HA LEU A 61 8.470 7.247 -3.918 1.00 12.12 H new ATOM 0 HB2 LEU A 61 10.898 7.357 -3.072 1.00 4.23 H new ATOM 0 HB3 LEU A 61 10.807 9.086 -3.339 1.00 4.23 H new ATOM 0 HG LEU A 61 8.542 8.193 -1.764 1.00 62.23 H new ATOM 0 HD11 LEU A 61 9.789 7.546 0.260 1.00 54.34 H new ATOM 0 HD12 LEU A 61 10.032 6.382 -1.065 1.00 54.34 H new ATOM 0 HD13 LEU A 61 11.304 7.563 -0.673 1.00 54.34 H new ATOM 0 HD21 LEU A 61 9.381 9.929 -0.230 1.00 63.31 H new ATOM 0 HD22 LEU A 61 10.880 10.041 -1.183 1.00 63.31 H new ATOM 0 HD23 LEU A 61 9.325 10.506 -1.913 1.00 63.31 H new ATOM 1006 N ASP A 62 8.033 9.394 -5.810 1.00 60.25 N ATOM 1007 CA ASP A 62 7.328 10.590 -6.256 1.00 50.02 C ATOM 1008 C ASP A 62 5.880 10.267 -6.610 1.00 53.01 C ATOM 1009 O ASP A 62 5.104 9.924 -5.719 1.00 3.10 O ATOM 1010 CB ASP A 62 8.036 11.205 -7.464 1.00 63.03 C ATOM 1011 CG ASP A 62 7.188 12.249 -8.163 1.00 50.30 C ATOM 1012 OD1 ASP A 62 6.367 12.900 -7.482 1.00 71.55 O ATOM 1013 OD2 ASP A 62 7.346 12.417 -9.390 1.00 73.02 O ATOM 0 H ASP A 62 8.129 8.671 -6.523 1.00 60.25 H new ATOM 0 HA ASP A 62 7.331 11.310 -5.438 1.00 50.02 H new ATOM 0 HB2 ASP A 62 8.972 11.659 -7.140 1.00 63.03 H new ATOM 0 HB3 ASP A 62 8.292 10.416 -8.171 1.00 63.03 H new HETATM 1018 N NH2 A 90 5.550 10.383 -7.888 1.00 41.01 N TER 1019 NH2 A 90