USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 634 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 25 THR OG1 : rot -80:sc= -1.01 USER MOD Set 1.2: A 80 THR OG1 : rot 99:sc= 1.23 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0153 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -4.07 X(o=-4.1,f=-3.8!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -107:sc= 0.439 (180deg=-1.5) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 101:sc= 1.15 USER MOD Single : A 24 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -1.59 USER MOD Single : A 34 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 38 ASN : amide:sc=-0.00212 K(o=-0.0021,f=-0.84) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.375 (180deg=-1.02) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -71:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 49:sc= 0.00184 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.77 K(o=-5.8,f=-20!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0202) USER MOD Single : A 83 SER OG : rot -70:sc= 0.982 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.858 -2.271 9.692 1.00 0.00 N ATOM 2 CA ALA A 2 10.681 -1.198 8.671 1.00 0.00 C ATOM 3 C ALA A 2 9.195 -1.069 8.320 1.00 0.00 C ATOM 4 O ALA A 2 8.515 -2.053 8.092 1.00 0.00 O ATOM 5 CB ALA A 2 11.487 -1.550 7.417 1.00 0.00 C ATOM 0 HA ALA A 2 11.038 -0.248 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.358 -0.767 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.543 -1.636 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.134 -2.499 7.012 1.00 0.00 H new ATOM 11 N GLN A 3 8.689 0.137 8.282 1.00 0.00 N ATOM 12 CA GLN A 3 7.247 0.345 7.954 1.00 0.00 C ATOM 13 C GLN A 3 6.950 1.846 7.911 1.00 0.00 C ATOM 14 O GLN A 3 7.683 2.646 8.461 1.00 0.00 O ATOM 15 CB GLN A 3 6.383 -0.315 9.034 1.00 0.00 C ATOM 16 CG GLN A 3 6.809 0.192 10.413 1.00 0.00 C ATOM 17 CD GLN A 3 5.775 -0.232 11.458 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.834 -1.329 11.978 1.00 0.00 O ATOM 19 NE2 GLN A 3 4.821 0.595 11.788 1.00 0.00 N ATOM 0 H GLN A 3 9.216 0.991 8.465 1.00 0.00 H new ATOM 0 HA GLN A 3 7.022 -0.099 6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.331 -0.088 8.861 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.488 -1.399 8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.789 -0.209 10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.903 1.278 10.399 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.771 1.516 11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.126 0.321 12.482 1.00 0.00 H new ATOM 28 N LYS A 4 5.878 2.230 7.267 1.00 0.00 N ATOM 29 CA LYS A 4 5.523 3.677 7.187 1.00 0.00 C ATOM 30 C LYS A 4 4.000 3.828 7.163 1.00 0.00 C ATOM 31 O LYS A 4 3.280 2.891 6.875 1.00 0.00 O ATOM 32 CB LYS A 4 6.114 4.283 5.912 1.00 0.00 C ATOM 33 CG LYS A 4 5.869 5.795 5.902 1.00 0.00 C ATOM 34 CD LYS A 4 6.767 6.454 4.855 1.00 0.00 C ATOM 35 CE LYS A 4 6.665 7.977 4.981 1.00 0.00 C ATOM 36 NZ LYS A 4 7.822 8.615 4.290 1.00 0.00 N ATOM 0 H LYS A 4 5.231 1.600 6.792 1.00 0.00 H new ATOM 0 HA LYS A 4 5.928 4.196 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.183 4.077 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.659 3.825 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.822 6.002 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.075 6.213 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.800 6.135 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.468 6.140 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.730 8.326 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.652 8.265 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.486 8.990 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.307 7.909 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.482 9.393 3.689 1.00 0.00 H new ATOM 50 N THR A 5 3.510 5.005 7.462 1.00 0.00 N ATOM 51 CA THR A 5 2.036 5.231 7.458 1.00 0.00 C ATOM 52 C THR A 5 1.677 6.241 6.367 1.00 0.00 C ATOM 53 O THR A 5 2.210 7.334 6.324 1.00 0.00 O ATOM 54 CB THR A 5 1.599 5.778 8.820 1.00 0.00 C ATOM 55 OG1 THR A 5 2.183 4.996 9.853 1.00 0.00 O ATOM 56 CG2 THR A 5 0.075 5.719 8.931 1.00 0.00 C ATOM 0 H THR A 5 4.071 5.820 7.709 1.00 0.00 H new ATOM 0 HA THR A 5 1.526 4.288 7.263 1.00 0.00 H new ATOM 0 HB THR A 5 1.927 6.813 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.905 5.346 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.235 6.109 9.901 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.371 6.321 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.257 4.686 8.832 1.00 0.00 H new ATOM 64 N PHE A 6 0.775 5.882 5.488 1.00 0.00 N ATOM 65 CA PHE A 6 0.374 6.818 4.396 1.00 0.00 C ATOM 66 C PHE A 6 -1.047 7.320 4.655 1.00 0.00 C ATOM 67 O PHE A 6 -1.923 6.562 5.028 1.00 0.00 O ATOM 68 CB PHE A 6 0.422 6.090 3.053 1.00 0.00 C ATOM 69 CG PHE A 6 1.859 5.805 2.687 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.505 4.683 3.217 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.544 6.662 1.818 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.837 4.418 2.879 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.875 6.398 1.479 1.00 0.00 C ATOM 74 CZ PHE A 6 4.522 5.275 2.009 1.00 0.00 C ATOM 0 H PHE A 6 0.299 4.980 5.480 1.00 0.00 H new ATOM 0 HA PHE A 6 1.061 7.664 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.141 5.159 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.048 6.699 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.976 4.021 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.044 7.528 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.336 3.553 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.403 7.060 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.549 5.070 1.747 1.00 0.00 H new ATOM 84 N LYS A 7 -1.279 8.593 4.460 1.00 0.00 N ATOM 85 CA LYS A 7 -2.641 9.156 4.692 1.00 0.00 C ATOM 86 C LYS A 7 -3.393 9.232 3.362 1.00 0.00 C ATOM 87 O LYS A 7 -2.980 9.918 2.445 1.00 0.00 O ATOM 88 CB LYS A 7 -2.514 10.559 5.292 1.00 0.00 C ATOM 89 CG LYS A 7 -3.902 11.093 5.653 1.00 0.00 C ATOM 90 CD LYS A 7 -3.906 12.620 5.545 1.00 0.00 C ATOM 91 CE LYS A 7 -5.287 13.158 5.922 1.00 0.00 C ATOM 92 NZ LYS A 7 -5.202 14.628 6.150 1.00 0.00 N ATOM 0 H LYS A 7 -0.580 9.268 4.149 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.190 8.515 5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.883 10.529 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.031 11.227 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.652 10.669 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.168 10.789 6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.148 13.043 6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.651 12.923 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.002 12.943 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.650 12.660 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.141 14.994 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.532 14.821 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.873 15.096 5.281 1.00 0.00 H new ATOM 106 N VAL A 8 -4.496 8.533 3.253 1.00 0.00 N ATOM 107 CA VAL A 8 -5.283 8.562 1.986 1.00 0.00 C ATOM 108 C VAL A 8 -6.255 9.743 2.022 1.00 0.00 C ATOM 109 O VAL A 8 -7.250 9.716 2.723 1.00 0.00 O ATOM 110 CB VAL A 8 -6.069 7.258 1.839 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.750 7.226 0.471 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.111 6.070 1.956 1.00 0.00 C ATOM 0 H VAL A 8 -4.884 7.943 3.989 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.605 8.671 1.139 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.823 7.198 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.310 6.297 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.431 8.073 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.995 7.285 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.670 5.140 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.358 6.131 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.622 6.092 2.930 1.00 0.00 H new ATOM 122 N THR A 9 -5.970 10.776 1.271 1.00 0.00 N ATOM 123 CA THR A 9 -6.867 11.970 1.256 1.00 0.00 C ATOM 124 C THR A 9 -7.749 11.960 -0.001 1.00 0.00 C ATOM 125 O THR A 9 -8.719 12.691 -0.084 1.00 0.00 O ATOM 126 CB THR A 9 -6.017 13.242 1.262 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.003 13.128 2.252 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.903 14.449 1.572 1.00 0.00 C ATOM 0 H THR A 9 -5.152 10.844 0.666 1.00 0.00 H new ATOM 0 HA THR A 9 -7.506 11.942 2.139 1.00 0.00 H new ATOM 0 HB THR A 9 -5.556 13.376 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.457 13.942 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.296 15.354 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.679 14.536 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.366 14.319 2.550 1.00 0.00 H new ATOM 136 N ALA A 10 -7.425 11.147 -0.983 1.00 0.00 N ATOM 137 CA ALA A 10 -8.247 11.102 -2.232 1.00 0.00 C ATOM 138 C ALA A 10 -9.704 10.774 -1.891 1.00 0.00 C ATOM 139 O ALA A 10 -9.986 9.829 -1.179 1.00 0.00 O ATOM 140 CB ALA A 10 -7.688 10.026 -3.165 1.00 0.00 C ATOM 0 H ALA A 10 -6.626 10.514 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.207 12.074 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.284 9.990 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.654 10.264 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.727 9.057 -2.667 1.00 0.00 H new ATOM 146 N ASP A 11 -10.628 11.552 -2.397 1.00 0.00 N ATOM 147 CA ASP A 11 -12.071 11.299 -2.111 1.00 0.00 C ATOM 148 C ASP A 11 -12.492 9.960 -2.726 1.00 0.00 C ATOM 149 O ASP A 11 -13.406 9.311 -2.252 1.00 0.00 O ATOM 150 CB ASP A 11 -12.916 12.424 -2.714 1.00 0.00 C ATOM 151 CG ASP A 11 -12.605 12.558 -4.206 1.00 0.00 C ATOM 152 OD1 ASP A 11 -13.006 11.683 -4.955 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.971 13.533 -4.574 1.00 0.00 O ATOM 0 H ASP A 11 -10.443 12.355 -2.998 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.224 11.265 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.976 12.213 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.706 13.364 -2.203 1.00 0.00 H new ATOM 158 N SER A 12 -11.836 9.547 -3.780 1.00 0.00 N ATOM 159 CA SER A 12 -12.196 8.255 -4.434 1.00 0.00 C ATOM 160 C SER A 12 -11.911 7.094 -3.479 1.00 0.00 C ATOM 161 O SER A 12 -12.540 6.055 -3.552 1.00 0.00 O ATOM 162 CB SER A 12 -11.365 8.082 -5.706 1.00 0.00 C ATOM 163 OG SER A 12 -10.015 8.438 -5.437 1.00 0.00 O ATOM 0 H SER A 12 -11.064 10.051 -4.216 1.00 0.00 H new ATOM 0 HA SER A 12 -13.256 8.262 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.419 7.050 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.766 8.707 -6.504 1.00 0.00 H new ATOM 0 HG SER A 12 -9.479 8.327 -6.250 1.00 0.00 H new ATOM 169 N GLY A 13 -10.963 7.258 -2.588 1.00 0.00 N ATOM 170 CA GLY A 13 -10.630 6.165 -1.635 1.00 0.00 C ATOM 171 C GLY A 13 -9.605 5.237 -2.283 1.00 0.00 C ATOM 172 O GLY A 13 -8.848 5.645 -3.144 1.00 0.00 O ATOM 0 H GLY A 13 -10.406 8.106 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.230 6.581 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.529 5.608 -1.372 1.00 0.00 H new ATOM 176 N ILE A 14 -9.574 3.994 -1.879 1.00 0.00 N ATOM 177 CA ILE A 14 -8.598 3.039 -2.474 1.00 0.00 C ATOM 178 C ILE A 14 -9.351 1.987 -3.291 1.00 0.00 C ATOM 179 O ILE A 14 -10.095 1.185 -2.759 1.00 0.00 O ATOM 180 CB ILE A 14 -7.800 2.370 -1.354 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.146 3.460 -0.496 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.715 1.474 -1.960 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.422 2.828 0.698 1.00 0.00 C ATOM 0 H ILE A 14 -10.184 3.600 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.910 3.571 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.463 1.761 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.440 4.032 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.904 4.159 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.147 0.998 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.180 0.708 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.044 2.078 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.961 3.611 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.138 2.276 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.651 2.147 0.337 1.00 0.00 H new ATOM 195 N HIS A 15 -9.164 1.997 -4.586 1.00 0.00 N ATOM 196 CA HIS A 15 -9.866 1.013 -5.465 1.00 0.00 C ATOM 197 C HIS A 15 -8.824 0.249 -6.301 1.00 0.00 C ATOM 198 O HIS A 15 -7.649 0.253 -5.983 1.00 0.00 O ATOM 199 CB HIS A 15 -10.887 1.740 -6.378 1.00 0.00 C ATOM 200 CG HIS A 15 -10.401 3.115 -6.769 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.121 3.456 -8.082 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.164 4.248 -6.029 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.736 4.745 -8.093 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.744 5.276 -6.868 1.00 0.00 N ATOM 0 H HIS A 15 -8.551 2.649 -5.076 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.417 0.301 -4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.061 1.146 -7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.843 1.824 -5.861 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.285 4.329 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.454 5.285 -8.985 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.496 6.229 -6.604 1.00 0.00 H new ATOM 212 N ALA A 16 -9.243 -0.434 -7.340 1.00 0.00 N ATOM 213 CA ALA A 16 -8.281 -1.222 -8.170 1.00 0.00 C ATOM 214 C ALA A 16 -7.285 -0.305 -8.896 1.00 0.00 C ATOM 215 O ALA A 16 -6.240 -0.755 -9.325 1.00 0.00 O ATOM 216 CB ALA A 16 -9.060 -2.034 -9.206 1.00 0.00 C ATOM 0 H ALA A 16 -10.214 -0.479 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.720 -1.882 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.364 -2.611 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.745 -2.712 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.627 -1.358 -9.846 1.00 0.00 H new ATOM 222 N ARG A 17 -7.591 0.962 -9.053 1.00 0.00 N ATOM 223 CA ARG A 17 -6.640 1.872 -9.771 1.00 0.00 C ATOM 224 C ARG A 17 -5.343 2.025 -8.947 1.00 0.00 C ATOM 225 O ARG A 17 -4.284 1.666 -9.425 1.00 0.00 O ATOM 226 CB ARG A 17 -7.296 3.242 -10.001 1.00 0.00 C ATOM 227 CG ARG A 17 -7.642 3.422 -11.489 1.00 0.00 C ATOM 228 CD ARG A 17 -6.820 4.572 -12.081 1.00 0.00 C ATOM 229 NE ARG A 17 -7.597 5.840 -11.983 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.622 6.039 -12.766 1.00 0.00 C ATOM 231 NH1 ARG A 17 -8.500 5.880 -14.055 1.00 0.00 N ATOM 232 NH2 ARG A 17 -9.770 6.398 -12.259 1.00 0.00 N ATOM 0 H ARG A 17 -8.449 1.402 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.391 1.441 -10.741 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.200 3.327 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.621 4.035 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.437 2.500 -12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.706 3.629 -11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.875 4.670 -11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.577 4.361 -13.123 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.328 6.552 -11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.603 5.600 -14.452 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.302 6.036 -14.666 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.866 6.523 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.571 6.554 -12.871 1.00 0.00 H new ATOM 246 N PRO A 18 -5.441 2.533 -7.728 1.00 0.00 N ATOM 247 CA PRO A 18 -4.253 2.697 -6.866 1.00 0.00 C ATOM 248 C PRO A 18 -3.765 1.335 -6.355 1.00 0.00 C ATOM 249 O PRO A 18 -2.625 1.189 -5.958 1.00 0.00 O ATOM 250 CB PRO A 18 -4.751 3.572 -5.713 1.00 0.00 C ATOM 251 CG PRO A 18 -6.286 3.403 -5.673 1.00 0.00 C ATOM 252 CD PRO A 18 -6.707 2.978 -7.090 1.00 0.00 C ATOM 0 HA PRO A 18 -3.407 3.142 -7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.301 3.264 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.479 4.616 -5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.576 2.651 -4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.773 4.335 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.443 2.175 -7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.159 3.806 -7.636 1.00 0.00 H new ATOM 260 N ALA A 19 -4.619 0.339 -6.363 1.00 0.00 N ATOM 261 CA ALA A 19 -4.207 -1.012 -5.884 1.00 0.00 C ATOM 262 C ALA A 19 -3.350 -1.699 -6.952 1.00 0.00 C ATOM 263 O ALA A 19 -2.529 -2.545 -6.646 1.00 0.00 O ATOM 264 CB ALA A 19 -5.454 -1.855 -5.611 1.00 0.00 C ATOM 0 H ALA A 19 -5.585 0.407 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.626 -0.910 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.156 -2.843 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.063 -1.368 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.034 -1.955 -6.529 1.00 0.00 H new ATOM 270 N THR A 20 -3.532 -1.343 -8.201 1.00 0.00 N ATOM 271 CA THR A 20 -2.728 -1.974 -9.289 1.00 0.00 C ATOM 272 C THR A 20 -1.364 -1.285 -9.377 1.00 0.00 C ATOM 273 O THR A 20 -0.370 -1.907 -9.702 1.00 0.00 O ATOM 274 CB THR A 20 -3.466 -1.831 -10.625 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.773 -2.374 -10.500 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.705 -2.582 -11.720 1.00 0.00 C ATOM 0 H THR A 20 -4.204 -0.642 -8.512 1.00 0.00 H new ATOM 0 HA THR A 20 -2.587 -3.032 -9.070 1.00 0.00 H new ATOM 0 HB THR A 20 -3.530 -0.776 -10.891 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.420 -1.647 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.233 -2.477 -12.668 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.702 -2.167 -11.816 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.637 -3.638 -11.457 1.00 0.00 H new ATOM 284 N VAL A 21 -1.308 -0.010 -9.083 1.00 0.00 N ATOM 285 CA VAL A 21 -0.005 0.717 -9.141 1.00 0.00 C ATOM 286 C VAL A 21 0.832 0.357 -7.910 1.00 0.00 C ATOM 287 O VAL A 21 2.047 0.289 -7.970 1.00 0.00 O ATOM 288 CB VAL A 21 -0.259 2.226 -9.161 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.064 2.966 -9.368 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.215 2.568 -10.306 1.00 0.00 C ATOM 0 H VAL A 21 -2.109 0.558 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 21 0.531 0.429 -10.045 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.701 2.530 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.882 4.041 -9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.747 2.725 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.507 2.661 -10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.396 3.643 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.772 2.262 -11.254 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.159 2.043 -10.161 1.00 0.00 H new ATOM 300 N LEU A 22 0.188 0.131 -6.791 1.00 0.00 N ATOM 301 CA LEU A 22 0.934 -0.219 -5.546 1.00 0.00 C ATOM 302 C LEU A 22 1.390 -1.679 -5.603 1.00 0.00 C ATOM 303 O LEU A 22 2.479 -2.009 -5.179 1.00 0.00 O ATOM 304 CB LEU A 22 0.020 -0.021 -4.335 1.00 0.00 C ATOM 305 CG LEU A 22 -0.249 1.472 -4.132 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.460 1.651 -3.215 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.976 2.127 -3.491 1.00 0.00 C ATOM 0 H LEU A 22 -0.826 0.174 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 22 1.808 0.426 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.920 -0.553 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.485 -0.441 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.450 1.940 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.652 2.714 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.333 1.183 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.259 1.184 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.786 3.190 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.176 1.659 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.840 1.999 -4.143 1.00 0.00 H new ATOM 319 N VAL A 23 0.563 -2.553 -6.119 1.00 0.00 N ATOM 320 CA VAL A 23 0.944 -3.996 -6.203 1.00 0.00 C ATOM 321 C VAL A 23 2.103 -4.161 -7.193 1.00 0.00 C ATOM 322 O VAL A 23 2.922 -5.052 -7.060 1.00 0.00 O ATOM 323 CB VAL A 23 -0.270 -4.820 -6.661 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.720 -4.366 -8.051 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.099 -6.307 -6.709 1.00 0.00 C ATOM 0 H VAL A 23 -0.362 -2.329 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 23 1.263 -4.351 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.084 -4.668 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.581 -4.956 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.996 -3.312 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.095 -4.506 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.765 -6.886 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.920 -6.456 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.405 -6.638 -5.717 1.00 0.00 H new ATOM 335 N GLN A 24 2.171 -3.309 -8.182 1.00 0.00 N ATOM 336 CA GLN A 24 3.267 -3.405 -9.190 1.00 0.00 C ATOM 337 C GLN A 24 4.607 -3.072 -8.527 1.00 0.00 C ATOM 338 O GLN A 24 5.583 -3.778 -8.695 1.00 0.00 O ATOM 339 CB GLN A 24 2.999 -2.415 -10.325 1.00 0.00 C ATOM 340 CG GLN A 24 2.097 -3.074 -11.371 1.00 0.00 C ATOM 341 CD GLN A 24 2.954 -3.869 -12.356 1.00 0.00 C ATOM 342 OE1 GLN A 24 4.048 -3.461 -12.693 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.502 -4.996 -12.834 1.00 0.00 N ATOM 0 H GLN A 24 1.511 -2.547 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 24 3.305 -4.418 -9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.524 -1.516 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.939 -2.106 -10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.379 -3.733 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.523 -2.314 -11.902 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.584 -5.338 -12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.067 -5.535 -13.491 1.00 0.00 H new ATOM 352 N THR A 25 4.656 -2.001 -7.776 1.00 0.00 N ATOM 353 CA THR A 25 5.930 -1.614 -7.098 1.00 0.00 C ATOM 354 C THR A 25 6.333 -2.708 -6.105 1.00 0.00 C ATOM 355 O THR A 25 7.496 -3.043 -5.976 1.00 0.00 O ATOM 356 CB THR A 25 5.726 -0.296 -6.347 1.00 0.00 C ATOM 357 OG1 THR A 25 5.194 0.676 -7.237 1.00 0.00 O ATOM 358 CG2 THR A 25 7.066 0.194 -5.794 1.00 0.00 C ATOM 0 H THR A 25 3.868 -1.377 -7.603 1.00 0.00 H new ATOM 0 HA THR A 25 6.716 -1.492 -7.843 1.00 0.00 H new ATOM 0 HB THR A 25 5.032 -0.452 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.917 1.051 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.918 1.133 -5.260 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.472 -0.552 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.764 0.351 -6.617 1.00 0.00 H new ATOM 366 N ALA A 26 5.378 -3.262 -5.405 1.00 0.00 N ATOM 367 CA ALA A 26 5.687 -4.337 -4.417 1.00 0.00 C ATOM 368 C ALA A 26 6.123 -5.608 -5.154 1.00 0.00 C ATOM 369 O ALA A 26 6.829 -6.436 -4.609 1.00 0.00 O ATOM 370 CB ALA A 26 4.438 -4.636 -3.587 1.00 0.00 C ATOM 0 H ALA A 26 4.391 -3.014 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 26 6.493 -4.005 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.661 -5.421 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.127 -3.734 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.634 -4.966 -4.245 1.00 0.00 H new ATOM 376 N SER A 27 5.708 -5.769 -6.387 1.00 0.00 N ATOM 377 CA SER A 27 6.094 -6.983 -7.164 1.00 0.00 C ATOM 378 C SER A 27 7.603 -6.974 -7.442 1.00 0.00 C ATOM 379 O SER A 27 8.187 -8.001 -7.737 1.00 0.00 O ATOM 380 CB SER A 27 5.337 -6.995 -8.492 1.00 0.00 C ATOM 381 OG SER A 27 5.278 -8.327 -8.987 1.00 0.00 O ATOM 0 H SER A 27 5.116 -5.107 -6.889 1.00 0.00 H new ATOM 0 HA SER A 27 5.843 -7.871 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.330 -6.601 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.836 -6.348 -9.214 1.00 0.00 H new ATOM 0 HG SER A 27 4.792 -8.339 -9.838 1.00 0.00 H new ATOM 387 N LYS A 28 8.237 -5.829 -7.356 1.00 0.00 N ATOM 388 CA LYS A 28 9.703 -5.756 -7.621 1.00 0.00 C ATOM 389 C LYS A 28 10.504 -6.050 -6.340 1.00 0.00 C ATOM 390 O LYS A 28 11.698 -5.822 -6.292 1.00 0.00 O ATOM 391 CB LYS A 28 10.054 -4.355 -8.125 1.00 0.00 C ATOM 392 CG LYS A 28 9.402 -4.127 -9.490 1.00 0.00 C ATOM 393 CD LYS A 28 9.076 -2.642 -9.660 1.00 0.00 C ATOM 394 CE LYS A 28 7.900 -2.485 -10.626 1.00 0.00 C ATOM 395 NZ LYS A 28 8.413 -2.401 -12.024 1.00 0.00 N ATOM 0 H LYS A 28 7.798 -4.941 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 28 9.960 -6.502 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.708 -3.604 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.136 -4.245 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.072 -4.456 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.492 -4.722 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.829 -2.200 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.947 -2.109 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.219 -3.330 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.332 -1.588 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.614 -2.294 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.046 -1.581 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.937 -3.269 -12.254 1.00 0.00 H new ATOM 409 N TYR A 29 9.866 -6.554 -5.307 1.00 0.00 N ATOM 410 CA TYR A 29 10.603 -6.858 -4.046 1.00 0.00 C ATOM 411 C TYR A 29 10.113 -8.193 -3.479 1.00 0.00 C ATOM 412 O TYR A 29 8.926 -8.452 -3.416 1.00 0.00 O ATOM 413 CB TYR A 29 10.349 -5.746 -3.026 1.00 0.00 C ATOM 414 CG TYR A 29 10.810 -4.428 -3.598 1.00 0.00 C ATOM 415 CD1 TYR A 29 12.129 -4.001 -3.400 1.00 0.00 C ATOM 416 CD2 TYR A 29 9.919 -3.633 -4.328 1.00 0.00 C ATOM 417 CE1 TYR A 29 12.557 -2.780 -3.932 1.00 0.00 C ATOM 418 CE2 TYR A 29 10.346 -2.411 -4.860 1.00 0.00 C ATOM 419 CZ TYR A 29 11.666 -1.984 -4.663 1.00 0.00 C ATOM 420 OH TYR A 29 12.087 -0.779 -5.187 1.00 0.00 O ATOM 0 H TYR A 29 8.868 -6.766 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 29 11.671 -6.922 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.288 -5.698 -2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.881 -5.959 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 29 12.816 -4.615 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.902 -3.963 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.574 -2.451 -3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.658 -1.797 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 29 11.585 -0.585 -6.006 1.00 0.00 H new ATOM 430 N ASP A 30 11.023 -9.039 -3.067 1.00 0.00 N ATOM 431 CA ASP A 30 10.624 -10.363 -2.503 1.00 0.00 C ATOM 432 C ASP A 30 10.279 -10.231 -1.010 1.00 0.00 C ATOM 433 O ASP A 30 9.843 -11.184 -0.391 1.00 0.00 O ATOM 434 CB ASP A 30 11.780 -11.352 -2.668 1.00 0.00 C ATOM 435 CG ASP A 30 11.650 -12.070 -4.012 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.164 -11.552 -4.991 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.041 -13.127 -4.041 1.00 0.00 O ATOM 0 H ASP A 30 12.028 -8.869 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 30 9.745 -10.722 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.733 -10.826 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.771 -12.077 -1.854 1.00 0.00 H new ATOM 442 N ALA A 31 10.467 -9.069 -0.423 1.00 0.00 N ATOM 443 CA ALA A 31 10.146 -8.897 1.026 1.00 0.00 C ATOM 444 C ALA A 31 8.657 -9.164 1.260 1.00 0.00 C ATOM 445 O ALA A 31 7.950 -9.601 0.371 1.00 0.00 O ATOM 446 CB ALA A 31 10.481 -7.467 1.456 1.00 0.00 C ATOM 0 H ALA A 31 10.829 -8.236 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 31 10.735 -9.602 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.247 -7.341 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.542 -7.277 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.893 -6.763 0.868 1.00 0.00 H new ATOM 452 N ASP A 32 8.178 -8.905 2.451 1.00 0.00 N ATOM 453 CA ASP A 32 6.736 -9.142 2.753 1.00 0.00 C ATOM 454 C ASP A 32 6.034 -7.802 2.980 1.00 0.00 C ATOM 455 O ASP A 32 6.113 -7.223 4.048 1.00 0.00 O ATOM 456 CB ASP A 32 6.612 -10.002 4.012 1.00 0.00 C ATOM 457 CG ASP A 32 7.134 -11.410 3.723 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.342 -11.580 3.704 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.317 -12.294 3.525 1.00 0.00 O ATOM 0 H ASP A 32 8.727 -8.538 3.229 1.00 0.00 H new ATOM 0 HA ASP A 32 6.270 -9.658 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.178 -9.554 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.571 -10.047 4.333 1.00 0.00 H new ATOM 464 N VAL A 33 5.348 -7.307 1.982 1.00 0.00 N ATOM 465 CA VAL A 33 4.634 -6.004 2.128 1.00 0.00 C ATOM 466 C VAL A 33 3.160 -6.261 2.453 1.00 0.00 C ATOM 467 O VAL A 33 2.415 -6.767 1.636 1.00 0.00 O ATOM 468 CB VAL A 33 4.743 -5.206 0.823 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.212 -4.863 0.562 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.186 -6.032 -0.351 1.00 0.00 C ATOM 0 H VAL A 33 5.252 -7.751 1.069 1.00 0.00 H new ATOM 0 HA VAL A 33 5.088 -5.432 2.937 1.00 0.00 H new ATOM 0 HB VAL A 33 4.162 -4.288 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.294 -4.296 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.599 -4.266 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.791 -5.783 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.268 -5.456 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.756 -6.956 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.139 -6.270 -0.164 1.00 0.00 H new ATOM 480 N ASN A 34 2.739 -5.919 3.645 1.00 0.00 N ATOM 481 CA ASN A 34 1.314 -6.144 4.032 1.00 0.00 C ATOM 482 C ASN A 34 0.654 -4.805 4.367 1.00 0.00 C ATOM 483 O ASN A 34 1.316 -3.849 4.724 1.00 0.00 O ATOM 484 CB ASN A 34 1.252 -7.060 5.257 1.00 0.00 C ATOM 485 CG ASN A 34 2.067 -8.328 4.992 1.00 0.00 C ATOM 486 OD1 ASN A 34 3.267 -8.265 4.808 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.463 -9.484 4.962 1.00 0.00 N ATOM 0 H ASN A 34 3.321 -5.494 4.366 1.00 0.00 H new ATOM 0 HA ASN A 34 0.787 -6.612 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.643 -6.541 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.217 -7.320 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.998 -10.334 4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.456 -9.538 5.116 1.00 0.00 H new ATOM 494 N LEU A 35 -0.648 -4.738 4.258 1.00 0.00 N ATOM 495 CA LEU A 35 -1.369 -3.469 4.570 1.00 0.00 C ATOM 496 C LEU A 35 -2.301 -3.701 5.760 1.00 0.00 C ATOM 497 O LEU A 35 -3.084 -4.633 5.772 1.00 0.00 O ATOM 498 CB LEU A 35 -2.189 -3.032 3.354 1.00 0.00 C ATOM 499 CG LEU A 35 -2.686 -1.597 3.557 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.660 -0.851 2.222 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.119 -1.623 4.096 1.00 0.00 C ATOM 0 H LEU A 35 -1.245 -5.512 3.965 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.648 -2.689 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.580 -3.092 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.035 -3.704 3.213 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.037 -1.089 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.014 0.169 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.641 -0.830 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.307 -1.360 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.472 -0.602 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.767 -2.134 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.140 -2.152 5.049 1.00 0.00 H new ATOM 513 N GLU A 36 -2.221 -2.862 6.760 1.00 0.00 N ATOM 514 CA GLU A 36 -3.096 -3.030 7.957 1.00 0.00 C ATOM 515 C GLU A 36 -4.169 -1.938 7.967 1.00 0.00 C ATOM 516 O GLU A 36 -3.871 -0.764 8.088 1.00 0.00 O ATOM 517 CB GLU A 36 -2.250 -2.925 9.227 1.00 0.00 C ATOM 518 CG GLU A 36 -2.993 -3.577 10.395 1.00 0.00 C ATOM 519 CD GLU A 36 -2.121 -3.526 11.650 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.682 -2.442 11.997 1.00 0.00 O ATOM 521 OE2 GLU A 36 -1.908 -4.570 12.244 1.00 0.00 O ATOM 0 H GLU A 36 -1.585 -2.065 6.799 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.576 -4.008 7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.288 -3.415 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.044 -1.879 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.936 -3.060 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.238 -4.611 10.152 1.00 0.00 H new ATOM 528 N TYR A 37 -5.413 -2.322 7.844 1.00 0.00 N ATOM 529 CA TYR A 37 -6.521 -1.323 7.848 1.00 0.00 C ATOM 530 C TYR A 37 -7.743 -1.926 8.544 1.00 0.00 C ATOM 531 O TYR A 37 -8.063 -3.085 8.361 1.00 0.00 O ATOM 532 CB TYR A 37 -6.885 -0.955 6.409 1.00 0.00 C ATOM 533 CG TYR A 37 -7.732 0.294 6.414 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.150 1.532 6.707 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.101 0.215 6.129 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.934 2.690 6.716 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.886 1.374 6.137 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.302 2.612 6.431 1.00 0.00 C ATOM 539 OH TYR A 37 -10.075 3.756 6.441 1.00 0.00 O ATOM 0 H TYR A 37 -5.710 -3.292 7.740 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.201 -0.427 8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.980 -0.793 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.428 -1.775 5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.094 1.593 6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.551 -0.740 5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.484 3.645 6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.942 1.313 5.917 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.002 3.526 6.221 1.00 0.00 H new ATOM 549 N ASN A 38 -8.430 -1.143 9.340 1.00 0.00 N ATOM 550 CA ASN A 38 -9.639 -1.657 10.056 1.00 0.00 C ATOM 551 C ASN A 38 -9.245 -2.818 10.972 1.00 0.00 C ATOM 552 O ASN A 38 -10.008 -3.743 11.178 1.00 0.00 O ATOM 553 CB ASN A 38 -10.677 -2.139 9.037 1.00 0.00 C ATOM 554 CG ASN A 38 -12.084 -1.898 9.589 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.304 -1.981 10.781 1.00 0.00 O ATOM 556 ND2 ASN A 38 -13.051 -1.602 8.764 1.00 0.00 N ATOM 0 H ASN A 38 -8.204 -0.166 9.525 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.066 -0.854 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.549 -1.609 8.093 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.533 -3.199 8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.993 -1.440 9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.865 -1.533 7.764 1.00 0.00 H new ATOM 563 N GLY A 39 -8.059 -2.772 11.525 1.00 0.00 N ATOM 564 CA GLY A 39 -7.605 -3.867 12.435 1.00 0.00 C ATOM 565 C GLY A 39 -7.550 -5.188 11.673 1.00 0.00 C ATOM 566 O GLY A 39 -7.805 -6.242 12.225 1.00 0.00 O ATOM 0 H GLY A 39 -7.384 -2.021 11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.621 -3.630 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.286 -3.954 13.281 1.00 0.00 H new ATOM 570 N LYS A 40 -7.206 -5.138 10.414 1.00 0.00 N ATOM 571 CA LYS A 40 -7.116 -6.388 9.611 1.00 0.00 C ATOM 572 C LYS A 40 -5.796 -6.395 8.845 1.00 0.00 C ATOM 573 O LYS A 40 -5.325 -5.372 8.391 1.00 0.00 O ATOM 574 CB LYS A 40 -8.276 -6.461 8.621 1.00 0.00 C ATOM 575 CG LYS A 40 -9.566 -6.812 9.366 1.00 0.00 C ATOM 576 CD LYS A 40 -9.762 -8.331 9.362 1.00 0.00 C ATOM 577 CE LYS A 40 -10.673 -8.728 8.197 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.078 -8.843 8.682 1.00 0.00 N ATOM 0 H LYS A 40 -6.983 -4.281 9.907 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.165 -7.248 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.389 -5.506 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.069 -7.211 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.518 -6.444 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.417 -6.324 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.798 -8.832 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.201 -8.654 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.611 -7.984 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.345 -9.676 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.697 -9.113 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.130 -9.568 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.388 -7.928 9.068 1.00 0.00 H new ATOM 592 N THR A 41 -5.200 -7.545 8.704 1.00 0.00 N ATOM 593 CA THR A 41 -3.905 -7.637 7.969 1.00 0.00 C ATOM 594 C THR A 41 -4.082 -8.517 6.730 1.00 0.00 C ATOM 595 O THR A 41 -4.438 -9.675 6.828 1.00 0.00 O ATOM 596 CB THR A 41 -2.841 -8.249 8.883 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.891 -7.615 10.154 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.457 -8.051 8.265 1.00 0.00 C ATOM 0 H THR A 41 -5.554 -8.430 9.067 1.00 0.00 H new ATOM 0 HA THR A 41 -3.590 -6.639 7.663 1.00 0.00 H new ATOM 0 HB THR A 41 -3.032 -9.316 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.212 -8.006 10.742 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.701 -8.488 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.420 -8.538 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.261 -6.985 8.145 1.00 0.00 H new ATOM 606 N VAL A 42 -3.835 -7.973 5.566 1.00 0.00 N ATOM 607 CA VAL A 42 -3.985 -8.771 4.309 1.00 0.00 C ATOM 608 C VAL A 42 -2.757 -8.531 3.424 1.00 0.00 C ATOM 609 O VAL A 42 -1.885 -7.754 3.765 1.00 0.00 O ATOM 610 CB VAL A 42 -5.257 -8.350 3.542 1.00 0.00 C ATOM 611 CG1 VAL A 42 -5.752 -9.524 2.693 1.00 0.00 C ATOM 612 CG2 VAL A 42 -6.373 -7.943 4.518 1.00 0.00 C ATOM 0 H VAL A 42 -3.535 -7.008 5.430 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.070 -9.827 4.566 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.009 -7.499 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.650 -9.228 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.977 -9.811 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.982 -10.370 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.259 -7.650 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.616 -8.786 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.036 -7.104 5.127 1.00 0.00 H new ATOM 622 N ASN A 43 -2.679 -9.193 2.297 1.00 0.00 N ATOM 623 CA ASN A 43 -1.506 -9.008 1.393 1.00 0.00 C ATOM 624 C ASN A 43 -1.682 -7.725 0.576 1.00 0.00 C ATOM 625 O ASN A 43 -2.659 -7.558 -0.129 1.00 0.00 O ATOM 626 CB ASN A 43 -1.398 -10.204 0.446 1.00 0.00 C ATOM 627 CG ASN A 43 0.032 -10.306 -0.087 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.973 -9.945 0.592 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.238 -10.783 -1.284 1.00 0.00 N ATOM 0 H ASN A 43 -3.380 -9.855 1.964 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.598 -8.934 1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.669 -11.121 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.098 -10.091 -0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.188 -10.853 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.551 -11.086 -1.855 1.00 0.00 H new ATOM 636 N LEU A 44 -0.737 -6.824 0.665 1.00 0.00 N ATOM 637 CA LEU A 44 -0.832 -5.549 -0.105 1.00 0.00 C ATOM 638 C LEU A 44 -0.674 -5.837 -1.605 1.00 0.00 C ATOM 639 O LEU A 44 -1.096 -5.057 -2.437 1.00 0.00 O ATOM 640 CB LEU A 44 0.276 -4.586 0.373 1.00 0.00 C ATOM 641 CG LEU A 44 0.202 -3.205 -0.326 1.00 0.00 C ATOM 642 CD1 LEU A 44 0.847 -3.281 -1.717 1.00 0.00 C ATOM 643 CD2 LEU A 44 -1.255 -2.721 -0.457 1.00 0.00 C ATOM 0 H LEU A 44 0.100 -6.918 1.241 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.806 -5.089 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.194 -4.449 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.251 -5.035 0.182 1.00 0.00 H new ATOM 0 HG LEU A 44 0.747 -2.490 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.789 -2.305 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.892 -3.575 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.319 -4.017 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.273 -1.750 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.825 -3.439 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.699 -2.632 0.534 1.00 0.00 H new ATOM 655 N LYS A 45 -0.075 -6.952 -1.956 1.00 0.00 N ATOM 656 CA LYS A 45 0.107 -7.283 -3.401 1.00 0.00 C ATOM 657 C LYS A 45 -1.149 -7.969 -3.966 1.00 0.00 C ATOM 658 O LYS A 45 -1.135 -8.461 -5.079 1.00 0.00 O ATOM 659 CB LYS A 45 1.306 -8.221 -3.554 1.00 0.00 C ATOM 660 CG LYS A 45 2.600 -7.454 -3.264 1.00 0.00 C ATOM 661 CD LYS A 45 3.576 -8.360 -2.507 1.00 0.00 C ATOM 662 CE LYS A 45 4.000 -9.520 -3.410 1.00 0.00 C ATOM 663 NZ LYS A 45 4.710 -8.986 -4.606 1.00 0.00 N ATOM 0 H LYS A 45 0.294 -7.644 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 45 0.278 -6.359 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.210 -9.064 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.333 -8.631 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.051 -7.116 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.382 -6.564 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.451 -7.790 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.106 -8.743 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.650 -10.202 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.125 -10.093 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.309 -9.731 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.014 -8.674 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.304 -8.180 -4.326 1.00 0.00 H new ATOM 677 N SER A 46 -2.234 -8.003 -3.223 1.00 0.00 N ATOM 678 CA SER A 46 -3.475 -8.652 -3.738 1.00 0.00 C ATOM 679 C SER A 46 -4.445 -7.571 -4.218 1.00 0.00 C ATOM 680 O SER A 46 -4.765 -6.648 -3.492 1.00 0.00 O ATOM 681 CB SER A 46 -4.134 -9.462 -2.623 1.00 0.00 C ATOM 682 OG SER A 46 -4.823 -10.568 -3.193 1.00 0.00 O ATOM 0 H SER A 46 -2.309 -7.609 -2.285 1.00 0.00 H new ATOM 0 HA SER A 46 -3.221 -9.316 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.381 -9.812 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.828 -8.835 -2.063 1.00 0.00 H new ATOM 0 HG SER A 46 -5.246 -11.092 -2.481 1.00 0.00 H new ATOM 688 N ILE A 47 -4.915 -7.682 -5.434 1.00 0.00 N ATOM 689 CA ILE A 47 -5.868 -6.666 -5.970 1.00 0.00 C ATOM 690 C ILE A 47 -7.265 -6.940 -5.411 1.00 0.00 C ATOM 691 O ILE A 47 -8.025 -6.028 -5.140 1.00 0.00 O ATOM 692 CB ILE A 47 -5.903 -6.753 -7.498 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.475 -6.629 -8.052 1.00 0.00 C ATOM 694 CG2 ILE A 47 -6.769 -5.620 -8.054 1.00 0.00 C ATOM 695 CD1 ILE A 47 -3.926 -8.019 -8.391 1.00 0.00 C ATOM 0 H ILE A 47 -4.679 -8.435 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.544 -5.669 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.325 -7.712 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.474 -6.001 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.832 -6.143 -7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.794 -5.682 -9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.782 -5.710 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.348 -4.660 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.913 -7.925 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.911 -8.634 -7.491 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.563 -8.489 -9.140 1.00 0.00 H new ATOM 707 N MET A 48 -7.606 -8.191 -5.237 1.00 0.00 N ATOM 708 CA MET A 48 -8.950 -8.540 -4.693 1.00 0.00 C ATOM 709 C MET A 48 -8.917 -8.485 -3.163 1.00 0.00 C ATOM 710 O MET A 48 -9.927 -8.263 -2.522 1.00 0.00 O ATOM 711 CB MET A 48 -9.329 -9.953 -5.144 1.00 0.00 C ATOM 712 CG MET A 48 -10.821 -10.184 -4.898 1.00 0.00 C ATOM 713 SD MET A 48 -11.157 -11.962 -4.851 1.00 0.00 S ATOM 714 CE MET A 48 -12.417 -11.921 -3.553 1.00 0.00 C ATOM 0 H MET A 48 -7.007 -8.989 -5.450 1.00 0.00 H new ATOM 0 HA MET A 48 -9.687 -7.827 -5.064 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.100 -10.082 -6.202 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.741 -10.691 -4.598 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.121 -9.721 -3.958 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.408 -9.713 -5.687 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.772 -12.933 -3.358 1.00 0.00 H new ATOM 0 HE2 MET A 48 -11.987 -11.506 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.252 -11.299 -3.876 1.00 0.00 H new ATOM 724 N GLY A 49 -7.762 -8.684 -2.573 1.00 0.00 N ATOM 725 CA GLY A 49 -7.656 -8.644 -1.084 1.00 0.00 C ATOM 726 C GLY A 49 -8.081 -7.265 -0.569 1.00 0.00 C ATOM 727 O GLY A 49 -8.567 -7.131 0.539 1.00 0.00 O ATOM 0 H GLY A 49 -6.887 -8.873 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.287 -9.416 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.632 -8.857 -0.778 1.00 0.00 H new ATOM 731 N VAL A 50 -7.899 -6.243 -1.366 1.00 0.00 N ATOM 732 CA VAL A 50 -8.289 -4.868 -0.930 1.00 0.00 C ATOM 733 C VAL A 50 -9.814 -4.736 -0.950 1.00 0.00 C ATOM 734 O VAL A 50 -10.389 -4.006 -0.165 1.00 0.00 O ATOM 735 CB VAL A 50 -7.673 -3.838 -1.879 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.936 -2.428 -1.346 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.163 -4.070 -1.973 1.00 0.00 C ATOM 0 H VAL A 50 -7.496 -6.302 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.925 -4.692 0.082 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.122 -3.943 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.497 -1.695 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.011 -2.260 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.488 -2.323 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.724 -3.336 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.717 -3.965 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.972 -5.074 -2.353 1.00 0.00 H new ATOM 747 N VAL A 51 -10.473 -5.437 -1.841 1.00 0.00 N ATOM 748 CA VAL A 51 -11.963 -5.356 -1.914 1.00 0.00 C ATOM 749 C VAL A 51 -12.567 -5.859 -0.601 1.00 0.00 C ATOM 750 O VAL A 51 -13.597 -5.381 -0.161 1.00 0.00 O ATOM 751 CB VAL A 51 -12.466 -6.220 -3.074 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.978 -6.036 -3.235 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.764 -5.796 -4.365 1.00 0.00 C ATOM 0 H VAL A 51 -10.041 -6.062 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.263 -4.321 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.248 -7.267 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.334 -6.652 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.481 -6.336 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.197 -4.989 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.121 -6.410 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.982 -4.748 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.688 -5.927 -4.254 1.00 0.00 H new ATOM 763 N SER A 52 -11.932 -6.816 0.027 1.00 0.00 N ATOM 764 CA SER A 52 -12.462 -7.354 1.313 1.00 0.00 C ATOM 765 C SER A 52 -12.312 -6.293 2.407 1.00 0.00 C ATOM 766 O SER A 52 -13.101 -6.227 3.330 1.00 0.00 O ATOM 767 CB SER A 52 -11.677 -8.606 1.705 1.00 0.00 C ATOM 768 OG SER A 52 -10.317 -8.256 1.926 1.00 0.00 O ATOM 0 H SER A 52 -11.067 -7.248 -0.298 1.00 0.00 H new ATOM 0 HA SER A 52 -13.515 -7.610 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.102 -9.049 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.748 -9.356 0.917 1.00 0.00 H new ATOM 0 HG SER A 52 -9.891 -8.043 1.070 1.00 0.00 H new ATOM 774 N LEU A 53 -11.303 -5.465 2.306 1.00 0.00 N ATOM 775 CA LEU A 53 -11.093 -4.404 3.335 1.00 0.00 C ATOM 776 C LEU A 53 -12.219 -3.373 3.240 1.00 0.00 C ATOM 777 O LEU A 53 -12.887 -3.080 4.214 1.00 0.00 O ATOM 778 CB LEU A 53 -9.750 -3.714 3.088 1.00 0.00 C ATOM 779 CG LEU A 53 -8.619 -4.584 3.634 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.282 -4.077 3.092 1.00 0.00 C ATOM 781 CD2 LEU A 53 -8.610 -4.509 5.162 1.00 0.00 C ATOM 0 H LEU A 53 -10.615 -5.479 1.553 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.094 -4.854 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.608 -3.543 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.737 -2.737 3.572 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.771 -5.617 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.474 -4.696 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.288 -4.129 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.130 -3.044 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.803 -5.130 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.457 -3.476 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.564 -4.868 5.550 1.00 0.00 H new ATOM 793 N GLY A 54 -12.431 -2.823 2.071 1.00 0.00 N ATOM 794 CA GLY A 54 -13.511 -1.808 1.900 1.00 0.00 C ATOM 795 C GLY A 54 -13.012 -0.444 2.381 1.00 0.00 C ATOM 796 O GLY A 54 -13.626 0.188 3.221 1.00 0.00 O ATOM 0 H GLY A 54 -11.900 -3.035 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.807 -1.750 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.395 -2.104 2.465 1.00 0.00 H new ATOM 800 N ILE A 55 -11.905 0.013 1.854 1.00 0.00 N ATOM 801 CA ILE A 55 -11.357 1.332 2.272 1.00 0.00 C ATOM 802 C ILE A 55 -12.071 2.443 1.502 1.00 0.00 C ATOM 803 O ILE A 55 -12.702 2.205 0.490 1.00 0.00 O ATOM 804 CB ILE A 55 -9.854 1.387 1.971 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.168 0.148 2.551 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.250 2.641 2.607 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.716 0.094 2.071 1.00 0.00 C ATOM 0 H ILE A 55 -11.356 -0.477 1.148 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.515 1.467 3.342 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.705 1.415 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.201 0.178 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.698 -0.752 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.182 2.679 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.735 3.527 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.403 2.611 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.229 -0.789 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.694 0.044 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.189 0.989 2.403 1.00 0.00 H new ATOM 819 N ALA A 56 -11.972 3.651 1.981 1.00 0.00 N ATOM 820 CA ALA A 56 -12.637 4.797 1.296 1.00 0.00 C ATOM 821 C ALA A 56 -11.825 6.074 1.532 1.00 0.00 C ATOM 822 O ALA A 56 -10.701 6.027 1.994 1.00 0.00 O ATOM 823 CB ALA A 56 -14.048 4.979 1.861 1.00 0.00 C ATOM 0 H ALA A 56 -11.455 3.897 2.825 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.696 4.596 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.535 5.816 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.627 4.070 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.988 5.180 2.931 1.00 0.00 H new ATOM 829 N LYS A 57 -12.389 7.211 1.215 1.00 0.00 N ATOM 830 CA LYS A 57 -11.660 8.500 1.413 1.00 0.00 C ATOM 831 C LYS A 57 -11.351 8.696 2.901 1.00 0.00 C ATOM 832 O LYS A 57 -12.067 8.219 3.760 1.00 0.00 O ATOM 833 CB LYS A 57 -12.529 9.658 0.913 1.00 0.00 C ATOM 834 CG LYS A 57 -13.882 9.638 1.631 1.00 0.00 C ATOM 835 CD LYS A 57 -14.983 10.076 0.662 1.00 0.00 C ATOM 836 CE LYS A 57 -16.282 9.339 0.997 1.00 0.00 C ATOM 837 NZ LYS A 57 -16.988 10.051 2.101 1.00 0.00 N ATOM 0 H LYS A 57 -13.327 7.303 0.826 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.726 8.477 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.025 10.607 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.677 9.575 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.091 8.636 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.857 10.303 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.135 11.153 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.685 9.861 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.921 9.288 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.064 8.313 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.871 9.550 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.378 10.078 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.208 11.023 1.802 1.00 0.00 H new ATOM 851 N GLY A 58 -10.289 9.399 3.206 1.00 0.00 N ATOM 852 CA GLY A 58 -9.924 9.635 4.634 1.00 0.00 C ATOM 853 C GLY A 58 -9.626 8.297 5.313 1.00 0.00 C ATOM 854 O GLY A 58 -10.161 7.992 6.363 1.00 0.00 O ATOM 0 H GLY A 58 -9.658 9.820 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.053 10.287 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.739 10.143 5.150 1.00 0.00 H new ATOM 858 N ALA A 59 -8.778 7.497 4.719 1.00 0.00 N ATOM 859 CA ALA A 59 -8.441 6.173 5.322 1.00 0.00 C ATOM 860 C ALA A 59 -6.946 6.119 5.641 1.00 0.00 C ATOM 861 O ALA A 59 -6.112 6.343 4.784 1.00 0.00 O ATOM 862 CB ALA A 59 -8.793 5.058 4.335 1.00 0.00 C ATOM 0 H ALA A 59 -8.303 7.704 3.840 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.012 6.039 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.547 4.092 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.859 5.094 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.224 5.193 3.415 1.00 0.00 H new ATOM 868 N GLU A 60 -6.604 5.821 6.869 1.00 0.00 N ATOM 869 CA GLU A 60 -5.164 5.748 7.255 1.00 0.00 C ATOM 870 C GLU A 60 -4.681 4.300 7.156 1.00 0.00 C ATOM 871 O GLU A 60 -5.116 3.439 7.898 1.00 0.00 O ATOM 872 CB GLU A 60 -4.994 6.243 8.694 1.00 0.00 C ATOM 873 CG GLU A 60 -5.295 7.742 8.760 1.00 0.00 C ATOM 874 CD GLU A 60 -5.877 8.085 10.132 1.00 0.00 C ATOM 875 OE1 GLU A 60 -6.771 7.378 10.568 1.00 0.00 O ATOM 876 OE2 GLU A 60 -5.420 9.048 10.725 1.00 0.00 O ATOM 0 H GLU A 60 -7.263 5.625 7.622 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.577 6.374 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.664 5.698 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.978 6.050 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.384 8.315 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.999 8.017 7.975 1.00 0.00 H new ATOM 883 N ILE A 61 -3.782 4.028 6.244 1.00 0.00 N ATOM 884 CA ILE A 61 -3.260 2.638 6.088 1.00 0.00 C ATOM 885 C ILE A 61 -1.822 2.575 6.604 1.00 0.00 C ATOM 886 O ILE A 61 -1.090 3.544 6.544 1.00 0.00 O ATOM 887 CB ILE A 61 -3.286 2.242 4.611 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.546 3.298 3.787 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.736 2.146 4.132 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.025 2.665 2.496 1.00 0.00 C ATOM 0 H ILE A 61 -3.386 4.712 5.599 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.885 1.951 6.658 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.798 1.275 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.214 4.127 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.717 3.709 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.754 1.864 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.264 1.394 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.225 3.112 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.498 3.417 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.342 1.851 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.863 2.275 1.918 1.00 0.00 H new ATOM 902 N THR A 62 -1.414 1.439 7.111 1.00 0.00 N ATOM 903 CA THR A 62 -0.023 1.304 7.634 1.00 0.00 C ATOM 904 C THR A 62 0.669 0.125 6.948 1.00 0.00 C ATOM 905 O THR A 62 0.317 -1.020 7.164 1.00 0.00 O ATOM 906 CB THR A 62 -0.067 1.065 9.145 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.855 2.076 9.758 1.00 0.00 O ATOM 908 CG2 THR A 62 1.352 1.108 9.713 1.00 0.00 C ATOM 0 H THR A 62 -1.987 0.598 7.185 1.00 0.00 H new ATOM 0 HA THR A 62 0.533 2.219 7.428 1.00 0.00 H new ATOM 0 HB THR A 62 -0.506 0.088 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.886 1.925 10.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.318 0.938 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.956 0.333 9.242 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.794 2.084 9.514 1.00 0.00 H new ATOM 916 N ILE A 63 1.651 0.397 6.127 1.00 0.00 N ATOM 917 CA ILE A 63 2.373 -0.704 5.423 1.00 0.00 C ATOM 918 C ILE A 63 3.587 -1.126 6.256 1.00 0.00 C ATOM 919 O ILE A 63 4.140 -0.344 7.004 1.00 0.00 O ATOM 920 CB ILE A 63 2.835 -0.211 4.042 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.610 0.157 3.194 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.631 -1.313 3.329 1.00 0.00 C ATOM 923 CD1 ILE A 63 1.389 1.670 3.242 1.00 0.00 C ATOM 0 H ILE A 63 1.984 1.337 5.914 1.00 0.00 H new ATOM 0 HA ILE A 63 1.708 -1.558 5.295 1.00 0.00 H new ATOM 0 HB ILE A 63 3.471 0.665 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.758 -0.167 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.727 -0.362 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.954 -0.954 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.504 -1.575 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.001 -2.193 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.519 1.930 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.222 1.981 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.269 2.179 2.848 1.00 0.00 H new ATOM 935 N SER A 64 4.003 -2.359 6.120 1.00 0.00 N ATOM 936 CA SER A 64 5.183 -2.849 6.888 1.00 0.00 C ATOM 937 C SER A 64 5.953 -3.858 6.034 1.00 0.00 C ATOM 938 O SER A 64 5.410 -4.856 5.599 1.00 0.00 O ATOM 939 CB SER A 64 4.714 -3.521 8.178 1.00 0.00 C ATOM 940 OG SER A 64 3.498 -4.215 7.931 1.00 0.00 O ATOM 0 H SER A 64 3.572 -3.050 5.506 1.00 0.00 H new ATOM 0 HA SER A 64 5.831 -2.009 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.475 -4.214 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.568 -2.774 8.958 1.00 0.00 H new ATOM 0 HG SER A 64 3.593 -4.765 7.126 1.00 0.00 H new ATOM 946 N ALA A 65 7.213 -3.601 5.792 1.00 0.00 N ATOM 947 CA ALA A 65 8.030 -4.536 4.967 1.00 0.00 C ATOM 948 C ALA A 65 8.861 -5.430 5.887 1.00 0.00 C ATOM 949 O ALA A 65 9.502 -4.961 6.809 1.00 0.00 O ATOM 950 CB ALA A 65 8.961 -3.733 4.057 1.00 0.00 C ATOM 0 H ALA A 65 7.712 -2.779 6.133 1.00 0.00 H new ATOM 0 HA ALA A 65 7.372 -5.154 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.559 -4.416 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.368 -3.095 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.621 -3.115 4.666 1.00 0.00 H new ATOM 956 N SER A 66 8.854 -6.714 5.641 1.00 0.00 N ATOM 957 CA SER A 66 9.641 -7.650 6.495 1.00 0.00 C ATOM 958 C SER A 66 10.180 -8.794 5.633 1.00 0.00 C ATOM 959 O SER A 66 9.453 -9.695 5.258 1.00 0.00 O ATOM 960 CB SER A 66 8.739 -8.218 7.592 1.00 0.00 C ATOM 961 OG SER A 66 8.429 -7.190 8.523 1.00 0.00 O ATOM 0 H SER A 66 8.335 -7.156 4.882 1.00 0.00 H new ATOM 0 HA SER A 66 10.474 -7.115 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.824 -8.618 7.156 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.238 -9.044 8.098 1.00 0.00 H new ATOM 0 HG SER A 66 7.850 -7.550 9.227 1.00 0.00 H new ATOM 967 N GLY A 67 11.449 -8.759 5.315 1.00 0.00 N ATOM 968 CA GLY A 67 12.046 -9.840 4.474 1.00 0.00 C ATOM 969 C GLY A 67 13.511 -9.510 4.179 1.00 0.00 C ATOM 970 O GLY A 67 14.267 -9.161 5.067 1.00 0.00 O ATOM 0 H GLY A 67 12.099 -8.027 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.975 -10.797 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.490 -9.939 3.542 1.00 0.00 H new ATOM 974 N ALA A 68 13.913 -9.621 2.939 1.00 0.00 N ATOM 975 CA ALA A 68 15.330 -9.317 2.575 1.00 0.00 C ATOM 976 C ALA A 68 15.449 -7.842 2.185 1.00 0.00 C ATOM 977 O ALA A 68 16.134 -7.073 2.834 1.00 0.00 O ATOM 978 CB ALA A 68 15.753 -10.193 1.395 1.00 0.00 C ATOM 0 H ALA A 68 13.320 -9.910 2.161 1.00 0.00 H new ATOM 0 HA ALA A 68 15.977 -9.521 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.787 -9.971 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.667 -11.244 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.107 -9.989 0.541 1.00 0.00 H new ATOM 984 N ASP A 69 14.786 -7.443 1.129 1.00 0.00 N ATOM 985 CA ASP A 69 14.855 -6.017 0.690 1.00 0.00 C ATOM 986 C ASP A 69 13.639 -5.260 1.231 1.00 0.00 C ATOM 987 O ASP A 69 13.040 -4.452 0.543 1.00 0.00 O ATOM 988 CB ASP A 69 14.866 -5.946 -0.843 1.00 0.00 C ATOM 989 CG ASP A 69 13.704 -6.765 -1.412 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.617 -6.680 -0.866 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.922 -7.466 -2.387 1.00 0.00 O ATOM 0 H ASP A 69 14.199 -8.045 0.551 1.00 0.00 H new ATOM 0 HA ASP A 69 15.768 -5.563 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.785 -4.909 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.813 -6.327 -1.226 1.00 0.00 H new ATOM 996 N GLU A 70 13.272 -5.517 2.460 1.00 0.00 N ATOM 997 CA GLU A 70 12.094 -4.820 3.059 1.00 0.00 C ATOM 998 C GLU A 70 12.351 -3.311 3.099 1.00 0.00 C ATOM 999 O GLU A 70 11.432 -2.517 3.036 1.00 0.00 O ATOM 1000 CB GLU A 70 11.863 -5.339 4.482 1.00 0.00 C ATOM 1001 CG GLU A 70 13.154 -5.209 5.294 1.00 0.00 C ATOM 1002 CD GLU A 70 12.844 -5.410 6.778 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.166 -4.566 7.341 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.291 -6.405 7.327 1.00 0.00 O ATOM 0 H GLU A 70 13.739 -6.182 3.077 1.00 0.00 H new ATOM 0 HA GLU A 70 11.211 -5.018 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.063 -4.774 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.544 -6.381 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.882 -5.948 4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.600 -4.227 5.134 1.00 0.00 H new ATOM 1011 N ASN A 71 13.595 -2.913 3.203 1.00 0.00 N ATOM 1012 CA ASN A 71 13.921 -1.457 3.248 1.00 0.00 C ATOM 1013 C ASN A 71 13.705 -0.834 1.868 1.00 0.00 C ATOM 1014 O ASN A 71 13.251 0.286 1.751 1.00 0.00 O ATOM 1015 CB ASN A 71 15.382 -1.274 3.664 1.00 0.00 C ATOM 1016 CG ASN A 71 15.470 -1.149 5.186 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.598 -2.137 5.882 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.405 0.032 5.734 1.00 0.00 N ATOM 0 H ASN A 71 14.400 -3.537 3.259 1.00 0.00 H new ATOM 0 HA ASN A 71 13.269 -0.966 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.977 -2.122 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.797 -0.384 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.462 0.128 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.298 0.861 5.149 1.00 0.00 H new ATOM 1025 N ASP A 72 14.032 -1.551 0.824 1.00 0.00 N ATOM 1026 CA ASP A 72 13.852 -1.003 -0.554 1.00 0.00 C ATOM 1027 C ASP A 72 12.372 -1.052 -0.955 1.00 0.00 C ATOM 1028 O ASP A 72 11.947 -0.349 -1.853 1.00 0.00 O ATOM 1029 CB ASP A 72 14.673 -1.834 -1.544 1.00 0.00 C ATOM 1030 CG ASP A 72 16.121 -1.932 -1.060 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.620 -0.944 -0.545 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.705 -2.992 -1.212 1.00 0.00 O ATOM 0 H ASP A 72 14.417 -2.495 0.866 1.00 0.00 H new ATOM 0 HA ASP A 72 14.191 0.033 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.243 -2.831 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.640 -1.376 -2.533 1.00 0.00 H new ATOM 1037 N ALA A 73 11.589 -1.881 -0.308 1.00 0.00 N ATOM 1038 CA ALA A 73 10.143 -1.982 -0.663 1.00 0.00 C ATOM 1039 C ALA A 73 9.350 -0.841 -0.015 1.00 0.00 C ATOM 1040 O ALA A 73 8.434 -0.306 -0.609 1.00 0.00 O ATOM 1041 CB ALA A 73 9.595 -3.322 -0.169 1.00 0.00 C ATOM 0 H ALA A 73 11.891 -2.492 0.451 1.00 0.00 H new ATOM 0 HA ALA A 73 10.040 -1.911 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.539 -3.400 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.145 -4.136 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.711 -3.386 0.913 1.00 0.00 H new ATOM 1047 N LEU A 74 9.679 -0.479 1.201 1.00 0.00 N ATOM 1048 CA LEU A 74 8.922 0.614 1.888 1.00 0.00 C ATOM 1049 C LEU A 74 9.277 1.977 1.282 1.00 0.00 C ATOM 1050 O LEU A 74 8.416 2.821 1.110 1.00 0.00 O ATOM 1051 CB LEU A 74 9.238 0.611 3.390 1.00 0.00 C ATOM 1052 CG LEU A 74 10.737 0.826 3.619 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.027 2.321 3.794 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.166 0.072 4.881 1.00 0.00 C ATOM 0 H LEU A 74 10.436 -0.891 1.746 1.00 0.00 H new ATOM 0 HA LEU A 74 7.856 0.437 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.671 1.396 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.928 -0.336 3.832 1.00 0.00 H new ATOM 0 HG LEU A 74 11.293 0.452 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.095 2.468 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.719 2.859 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.474 2.701 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.233 0.221 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.607 0.449 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.964 -0.992 4.756 1.00 0.00 H new ATOM 1066 N ASN A 75 10.529 2.207 0.961 1.00 0.00 N ATOM 1067 CA ASN A 75 10.914 3.527 0.372 1.00 0.00 C ATOM 1068 C ASN A 75 10.549 3.563 -1.115 1.00 0.00 C ATOM 1069 O ASN A 75 10.311 4.617 -1.674 1.00 0.00 O ATOM 1070 CB ASN A 75 12.419 3.778 0.542 1.00 0.00 C ATOM 1071 CG ASN A 75 13.231 2.548 0.132 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.812 1.776 -0.704 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.394 2.340 0.689 1.00 0.00 N ATOM 0 H ASN A 75 11.294 1.543 1.081 1.00 0.00 H new ATOM 0 HA ASN A 75 10.368 4.311 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.719 4.634 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.634 4.030 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.950 1.528 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.746 2.990 1.392 1.00 0.00 H new ATOM 1080 N ALA A 76 10.496 2.424 -1.754 1.00 0.00 N ATOM 1081 CA ALA A 76 10.136 2.388 -3.203 1.00 0.00 C ATOM 1082 C ALA A 76 8.626 2.583 -3.352 1.00 0.00 C ATOM 1083 O ALA A 76 8.154 3.154 -4.319 1.00 0.00 O ATOM 1084 CB ALA A 76 10.540 1.037 -3.798 1.00 0.00 C ATOM 0 H ALA A 76 10.687 1.514 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 76 10.661 3.184 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.277 1.012 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.616 0.898 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.016 0.237 -3.275 1.00 0.00 H new ATOM 1090 N LEU A 77 7.867 2.125 -2.389 1.00 0.00 N ATOM 1091 CA LEU A 77 6.385 2.286 -2.450 1.00 0.00 C ATOM 1092 C LEU A 77 6.017 3.694 -1.979 1.00 0.00 C ATOM 1093 O LEU A 77 5.007 4.244 -2.370 1.00 0.00 O ATOM 1094 CB LEU A 77 5.721 1.250 -1.540 1.00 0.00 C ATOM 1095 CG LEU A 77 5.620 -0.086 -2.277 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.528 -1.225 -1.259 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.368 -0.091 -3.156 1.00 0.00 C ATOM 0 H LEU A 77 8.214 1.644 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 77 6.039 2.139 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.301 1.130 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.728 1.591 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 77 6.504 -0.223 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.456 -2.177 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.418 -1.224 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.644 -1.086 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.296 -1.043 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.485 0.047 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.430 0.720 -3.882 1.00 0.00 H new ATOM 1109 N GLU A 78 6.836 4.276 -1.140 1.00 0.00 N ATOM 1110 CA GLU A 78 6.558 5.648 -0.635 1.00 0.00 C ATOM 1111 C GLU A 78 6.690 6.649 -1.789 1.00 0.00 C ATOM 1112 O GLU A 78 5.886 7.552 -1.932 1.00 0.00 O ATOM 1113 CB GLU A 78 7.575 5.979 0.465 1.00 0.00 C ATOM 1114 CG GLU A 78 7.328 7.392 1.014 1.00 0.00 C ATOM 1115 CD GLU A 78 8.656 8.149 1.114 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.429 7.833 2.004 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.876 9.029 0.299 1.00 0.00 O ATOM 0 H GLU A 78 7.692 3.853 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 78 5.548 5.706 -0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.498 5.250 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.587 5.908 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.640 7.930 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.857 7.334 1.995 1.00 0.00 H new ATOM 1124 N GLU A 79 7.702 6.496 -2.606 1.00 0.00 N ATOM 1125 CA GLU A 79 7.897 7.437 -3.749 1.00 0.00 C ATOM 1126 C GLU A 79 6.837 7.180 -4.823 1.00 0.00 C ATOM 1127 O GLU A 79 6.431 8.083 -5.530 1.00 0.00 O ATOM 1128 CB GLU A 79 9.295 7.240 -4.348 1.00 0.00 C ATOM 1129 CG GLU A 79 9.522 5.761 -4.671 1.00 0.00 C ATOM 1130 CD GLU A 79 10.691 5.627 -5.648 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.584 6.152 -6.745 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.675 5.004 -5.283 1.00 0.00 O ATOM 0 H GLU A 79 8.402 5.758 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 79 7.799 8.461 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.400 7.839 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.053 7.588 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.733 5.206 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.620 5.330 -5.105 1.00 0.00 H new ATOM 1139 N THR A 80 6.388 5.957 -4.952 1.00 0.00 N ATOM 1140 CA THR A 80 5.355 5.638 -5.982 1.00 0.00 C ATOM 1141 C THR A 80 3.998 6.194 -5.538 1.00 0.00 C ATOM 1142 O THR A 80 3.162 6.534 -6.355 1.00 0.00 O ATOM 1143 CB THR A 80 5.257 4.120 -6.148 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.557 3.584 -6.351 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.375 3.790 -7.355 1.00 0.00 C ATOM 0 H THR A 80 6.693 5.165 -4.387 1.00 0.00 H new ATOM 0 HA THR A 80 5.636 6.091 -6.932 1.00 0.00 H new ATOM 0 HB THR A 80 4.818 3.685 -5.251 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.899 3.226 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.307 2.708 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.378 4.202 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.812 4.225 -8.254 1.00 0.00 H new ATOM 1153 N MET A 81 3.776 6.288 -4.252 1.00 0.00 N ATOM 1154 CA MET A 81 2.478 6.820 -3.743 1.00 0.00 C ATOM 1155 C MET A 81 2.403 8.324 -4.000 1.00 0.00 C ATOM 1156 O MET A 81 1.351 8.861 -4.293 1.00 0.00 O ATOM 1157 CB MET A 81 2.377 6.563 -2.240 1.00 0.00 C ATOM 1158 CG MET A 81 0.956 6.880 -1.763 1.00 0.00 C ATOM 1159 SD MET A 81 0.492 5.750 -0.427 1.00 0.00 S ATOM 1160 CE MET A 81 -1.091 5.215 -1.122 1.00 0.00 C ATOM 0 H MET A 81 4.443 6.017 -3.529 1.00 0.00 H new ATOM 0 HA MET A 81 1.658 6.320 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.623 5.524 -2.020 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.098 7.181 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.901 7.911 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.255 6.785 -2.592 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.561 4.499 -0.448 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.744 6.079 -1.247 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.923 4.744 -2.091 1.00 0.00 H new ATOM 1170 N LYS A 82 3.513 9.008 -3.885 1.00 0.00 N ATOM 1171 CA LYS A 82 3.519 10.484 -4.113 1.00 0.00 C ATOM 1172 C LYS A 82 3.814 10.798 -5.588 1.00 0.00 C ATOM 1173 O LYS A 82 4.213 11.899 -5.919 1.00 0.00 O ATOM 1174 CB LYS A 82 4.595 11.124 -3.235 1.00 0.00 C ATOM 1175 CG LYS A 82 4.142 11.097 -1.773 1.00 0.00 C ATOM 1176 CD LYS A 82 5.360 11.229 -0.857 1.00 0.00 C ATOM 1177 CE LYS A 82 4.936 11.867 0.467 1.00 0.00 C ATOM 1178 NZ LYS A 82 4.832 13.343 0.296 1.00 0.00 N ATOM 0 H LYS A 82 4.418 8.606 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 82 2.539 10.886 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.537 10.586 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.775 12.151 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.442 11.910 -1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.615 10.167 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.800 10.248 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.126 11.838 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.978 11.459 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.661 11.631 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.171 13.728 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.769 13.775 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.484 13.558 -0.660 1.00 0.00 H new ATOM 1192 N SER A 83 3.615 9.851 -6.475 1.00 0.00 N ATOM 1193 CA SER A 83 3.879 10.106 -7.921 1.00 0.00 C ATOM 1194 C SER A 83 2.605 10.640 -8.579 1.00 0.00 C ATOM 1195 O SER A 83 2.652 11.526 -9.410 1.00 0.00 O ATOM 1196 CB SER A 83 4.295 8.802 -8.601 1.00 0.00 C ATOM 1197 OG SER A 83 3.238 7.858 -8.494 1.00 0.00 O ATOM 0 H SER A 83 3.281 8.913 -6.256 1.00 0.00 H new ATOM 0 HA SER A 83 4.679 10.839 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.530 8.984 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.198 8.408 -8.135 1.00 0.00 H new ATOM 0 HG SER A 83 3.158 7.561 -7.564 1.00 0.00 H new ATOM 1203 N GLU A 84 1.468 10.105 -8.208 1.00 0.00 N ATOM 1204 CA GLU A 84 0.182 10.576 -8.806 1.00 0.00 C ATOM 1205 C GLU A 84 -0.690 11.236 -7.729 1.00 0.00 C ATOM 1206 O GLU A 84 -1.885 11.382 -7.900 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.568 9.382 -9.400 1.00 0.00 C ATOM 1208 CG GLU A 84 0.225 8.812 -10.577 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.739 8.191 -11.590 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.344 7.184 -11.262 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.856 8.733 -12.677 1.00 0.00 O ATOM 0 H GLU A 84 1.376 9.361 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 84 0.399 11.305 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.711 8.615 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.559 9.691 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.809 9.601 -11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.931 8.061 -10.223 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.106 11.638 -6.623 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.905 12.291 -5.542 1.00 0.00 C ATOM 1220 C GLY A 85 -1.980 11.327 -5.035 1.00 0.00 C ATOM 1221 O GLY A 85 -3.104 11.716 -4.782 1.00 0.00 O ATOM 0 H GLY A 85 0.890 11.541 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.251 12.585 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.370 13.201 -5.921 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.640 10.071 -4.883 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.635 9.075 -4.391 1.00 0.00 C ATOM 1227 C LEU A 86 -2.648 9.084 -2.861 1.00 0.00 C ATOM 1228 O LEU A 86 -3.673 8.873 -2.239 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.251 7.681 -4.890 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.164 7.690 -6.417 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.632 6.342 -6.906 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.556 7.931 -7.005 1.00 0.00 C ATOM 0 H LEU A 86 -0.713 9.694 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.625 9.334 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.294 7.381 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.990 6.950 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.490 8.485 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.570 6.348 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.641 6.168 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.306 5.547 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.495 7.938 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.229 7.136 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.937 8.891 -6.657 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.514 9.328 -2.253 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.448 9.355 -0.762 1.00 0.00 C ATOM 1246 C GLY A 87 -0.114 9.960 -0.321 1.00 0.00 C ATOM 1247 O GLY A 87 0.737 10.263 -1.136 1.00 0.00 O ATOM 0 H GLY A 87 -0.630 9.510 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.275 9.941 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.551 8.345 -0.365 1.00 0.00 H new ATOM 1251 N GLU A 88 0.072 10.138 0.963 1.00 0.00 N ATOM 1252 CA GLU A 88 1.350 10.724 1.466 1.00 0.00 C ATOM 1253 C GLU A 88 1.370 10.671 2.998 1.00 0.00 C ATOM 1254 O GLU A 88 1.760 9.643 3.527 1.00 0.00 O ATOM 1255 CB GLU A 88 1.475 12.179 0.991 1.00 0.00 C ATOM 1256 CG GLU A 88 0.179 12.943 1.294 1.00 0.00 C ATOM 1257 CD GLU A 88 0.515 14.345 1.810 1.00 0.00 C ATOM 1258 OE1 GLU A 88 0.984 15.236 0.981 1.00 0.00 O ATOM 1259 OE2 GLU A 88 0.349 14.630 2.979 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.998 11.656 3.617 1.00 0.00 O ATOM 0 H GLU A 88 -0.608 9.902 1.685 1.00 0.00 H new ATOM 0 HA GLU A 88 2.190 10.150 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.316 12.662 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.680 12.205 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.432 13.013 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.408 12.403 2.037 1.00 0.00 H new TER 1267 GLU A 88