USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 631 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 2 SER OG : rot 29:sc= 0.00431 USER MOD Single : A 3 LYS NZ :NH3+ -113:sc= 0.0424 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.671 K(o=0.67,f=-0.18) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.433 USER MOD Single : A 23 THR OG1 : rot -113:sc= 0.0622 USER MOD Single : A 24 GLN : amide:sc= -0.284 K(o=-0.28,f=-0.88) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.365 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0251 (180deg=-0.217) USER MOD Single : A 38 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.8!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.169 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc=0.000423 X(o=0.00042,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.23) USER MOD Single : A 81 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 4.636 19.781 0.883 1.00 0.00 N ATOM 21 CA SER A 2 5.687 18.861 1.311 1.00 0.00 C ATOM 22 C SER A 2 5.331 17.418 0.936 1.00 0.00 C ATOM 23 O SER A 2 6.196 16.674 0.479 1.00 0.00 O ATOM 24 CB SER A 2 5.903 18.982 2.825 1.00 0.00 C ATOM 25 OG SER A 2 6.495 20.225 3.138 1.00 0.00 O ATOM 0 HA SER A 2 6.612 19.126 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.949 18.885 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.540 18.170 3.174 1.00 0.00 H new ATOM 0 HG SER A 2 6.233 20.890 2.468 1.00 0.00 H new ATOM 31 N LYS A 3 4.074 17.011 1.166 1.00 0.00 N ATOM 32 CA LYS A 3 3.656 15.616 1.072 1.00 0.00 C ATOM 33 C LYS A 3 3.691 15.075 -0.363 1.00 0.00 C ATOM 34 O LYS A 3 3.378 15.782 -1.320 1.00 0.00 O ATOM 35 CB LYS A 3 2.289 15.414 1.752 1.00 0.00 C ATOM 36 CG LYS A 3 1.062 15.565 0.840 1.00 0.00 C ATOM 37 CD LYS A 3 0.888 16.954 0.213 1.00 0.00 C ATOM 38 CE LYS A 3 0.358 17.985 1.218 1.00 0.00 C ATOM 39 NZ LYS A 3 -0.092 19.218 0.547 1.00 0.00 N ATOM 0 H LYS A 3 3.320 17.648 1.423 1.00 0.00 H new ATOM 0 HA LYS A 3 4.388 15.019 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.268 14.419 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.201 16.130 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.130 14.828 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.168 15.329 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.845 17.294 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.201 16.886 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.470 17.553 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.140 18.227 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.535 20.005 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.064 19.082 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.065 19.438 0.841 1.00 0.00 H new ATOM 53 N VAL A 4 4.085 13.807 -0.486 1.00 0.00 N ATOM 54 CA VAL A 4 4.341 13.126 -1.743 1.00 0.00 C ATOM 55 C VAL A 4 3.603 11.798 -1.689 1.00 0.00 C ATOM 56 O VAL A 4 4.153 10.798 -1.236 1.00 0.00 O ATOM 57 CB VAL A 4 5.863 12.990 -1.990 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.702 12.539 -0.789 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.171 12.083 -3.192 1.00 0.00 C ATOM 0 H VAL A 4 4.239 13.207 0.324 1.00 0.00 H new ATOM 0 HA VAL A 4 3.971 13.693 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 4 6.166 14.016 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.751 12.479 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.591 13.258 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.362 11.559 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.250 12.015 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.765 11.088 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.716 12.502 -4.090 1.00 0.00 H new ATOM 69 N CYS A 5 2.338 11.802 -2.116 1.00 0.00 N ATOM 70 CA CYS A 5 1.565 10.572 -2.187 1.00 0.00 C ATOM 71 C CYS A 5 1.944 9.780 -3.437 1.00 0.00 C ATOM 72 O CYS A 5 2.371 10.355 -4.438 1.00 0.00 O ATOM 73 CB CYS A 5 0.051 10.810 -2.130 1.00 0.00 C ATOM 74 SG CYS A 5 -0.574 12.130 -1.066 1.00 0.00 S ATOM 0 H CYS A 5 1.836 12.638 -2.414 1.00 0.00 H new ATOM 0 HA CYS A 5 1.816 9.989 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.291 11.012 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.419 9.879 -1.814 1.00 0.00 H new ATOM 79 N ILE A 6 1.793 8.453 -3.366 1.00 0.00 N ATOM 80 CA ILE A 6 2.166 7.550 -4.447 1.00 0.00 C ATOM 81 C ILE A 6 1.120 6.449 -4.527 1.00 0.00 C ATOM 82 O ILE A 6 0.545 6.074 -3.506 1.00 0.00 O ATOM 83 CB ILE A 6 3.567 6.934 -4.252 1.00 0.00 C ATOM 84 CG1 ILE A 6 3.883 6.523 -2.806 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.672 7.833 -4.832 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.343 7.691 -1.927 1.00 0.00 C ATOM 0 H ILE A 6 1.406 7.978 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 6 2.207 8.122 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 6 3.546 6.004 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.995 6.072 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.659 5.758 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.643 7.364 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.505 7.972 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.652 8.802 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.549 7.329 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.249 8.128 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.559 8.447 -1.888 1.00 0.00 H new ATOM 98 N ILE A 7 0.899 5.931 -5.736 1.00 0.00 N ATOM 99 CA ILE A 7 0.011 4.799 -5.970 1.00 0.00 C ATOM 100 C ILE A 7 0.841 3.579 -6.372 1.00 0.00 C ATOM 101 O ILE A 7 1.624 3.639 -7.320 1.00 0.00 O ATOM 102 CB ILE A 7 -1.108 5.176 -6.955 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.092 4.007 -7.131 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.589 5.658 -8.314 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.504 4.510 -7.436 1.00 0.00 C ATOM 0 H ILE A 7 1.336 6.290 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.512 4.523 -5.054 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.631 6.023 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.751 3.361 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.107 3.402 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.432 5.907 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.033 6.542 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.002 4.869 -8.779 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.175 3.660 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.853 5.136 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.491 5.094 -8.356 1.00 0.00 H new ATOM 117 N ALA A 8 0.692 2.495 -5.600 1.00 0.00 N ATOM 118 CA ALA A 8 1.443 1.257 -5.723 1.00 0.00 C ATOM 119 C ALA A 8 0.490 0.141 -6.149 1.00 0.00 C ATOM 120 O ALA A 8 -0.168 -0.467 -5.304 1.00 0.00 O ATOM 121 CB ALA A 8 2.118 0.947 -4.382 1.00 0.00 C ATOM 0 H ALA A 8 0.012 2.464 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 8 2.222 1.347 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.684 0.019 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.793 1.761 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.358 0.840 -3.608 1.00 0.00 H new ATOM 127 N TRP A 9 0.426 -0.127 -7.459 1.00 0.00 N ATOM 128 CA TRP A 9 -0.347 -1.245 -7.994 1.00 0.00 C ATOM 129 C TRP A 9 0.458 -2.531 -7.867 1.00 0.00 C ATOM 130 O TRP A 9 1.616 -2.569 -8.270 1.00 0.00 O ATOM 131 CB TRP A 9 -0.704 -1.014 -9.466 1.00 0.00 C ATOM 132 CG TRP A 9 -1.775 -0.001 -9.697 1.00 0.00 C ATOM 133 CD1 TRP A 9 -3.091 -0.188 -9.459 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.652 1.353 -10.214 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.786 0.973 -9.720 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.944 1.957 -10.200 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.580 2.131 -10.702 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -3.157 3.278 -10.618 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.795 3.441 -11.168 1.00 0.00 C ATOM 140 CH2 TRP A 9 -2.075 4.020 -11.115 1.00 0.00 C ATOM 0 H TRP A 9 0.907 0.423 -8.171 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.271 -1.325 -7.422 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.194 -0.701 -9.999 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.019 -1.962 -9.902 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.534 -1.111 -9.115 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.789 1.090 -9.578 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.417 1.716 -10.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.141 3.719 -10.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.032 4.008 -11.571 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.225 5.034 -11.456 1.00 0.00 H new ATOM 151 N VAL A 10 -0.165 -3.579 -7.323 1.00 0.00 N ATOM 152 CA VAL A 10 0.454 -4.878 -7.092 1.00 0.00 C ATOM 153 C VAL A 10 -0.094 -5.888 -8.103 1.00 0.00 C ATOM 154 O VAL A 10 -1.270 -6.238 -8.033 1.00 0.00 O ATOM 155 CB VAL A 10 0.152 -5.327 -5.655 1.00 0.00 C ATOM 156 CG1 VAL A 10 0.734 -6.714 -5.375 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.695 -4.336 -4.615 1.00 0.00 C ATOM 0 H VAL A 10 -1.140 -3.542 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 10 1.534 -4.811 -7.221 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.934 -5.363 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.504 -7.005 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.298 -7.437 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.815 -6.689 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.458 -4.694 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.776 -4.250 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.236 -3.359 -4.769 1.00 0.00 H new ATOM 167 N TYR A 11 0.758 -6.385 -9.010 1.00 0.00 N ATOM 168 CA TYR A 11 0.404 -7.428 -9.967 1.00 0.00 C ATOM 169 C TYR A 11 0.554 -8.817 -9.346 1.00 0.00 C ATOM 170 O TYR A 11 1.225 -8.995 -8.328 1.00 0.00 O ATOM 171 CB TYR A 11 1.291 -7.349 -11.212 1.00 0.00 C ATOM 172 CG TYR A 11 1.205 -6.059 -11.997 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.220 -5.903 -12.990 1.00 0.00 C ATOM 174 CD2 TYR A 11 2.242 -5.116 -11.890 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.284 -4.816 -13.880 1.00 0.00 C ATOM 176 CE2 TYR A 11 2.349 -4.081 -12.829 1.00 0.00 C ATOM 177 CZ TYR A 11 1.353 -3.909 -13.806 1.00 0.00 C ATOM 178 OH TYR A 11 1.428 -2.868 -14.684 1.00 0.00 O ATOM 0 H TYR A 11 1.723 -6.066 -9.096 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.637 -7.267 -10.248 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.327 -7.500 -10.908 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.030 -8.174 -11.875 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.585 -6.618 -13.069 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.957 -5.189 -11.084 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.490 -4.679 -14.621 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.198 -3.414 -12.802 1.00 0.00 H new ATOM 0 HH TYR A 11 0.524 -2.600 -14.951 1.00 0.00 H new ATOM 188 N GLY A 12 -0.056 -9.807 -10.003 1.00 0.00 N ATOM 189 CA GLY A 12 -0.046 -11.191 -9.578 1.00 0.00 C ATOM 190 C GLY A 12 -1.091 -11.440 -8.499 1.00 0.00 C ATOM 191 O GLY A 12 -1.827 -10.535 -8.110 1.00 0.00 O ATOM 0 H GLY A 12 -0.580 -9.655 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.240 -11.839 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.942 -11.451 -9.199 1.00 0.00 H new ATOM 195 N ARG A 13 -1.172 -12.693 -8.043 1.00 0.00 N ATOM 196 CA ARG A 13 -2.311 -13.172 -7.270 1.00 0.00 C ATOM 197 C ARG A 13 -2.144 -12.887 -5.783 1.00 0.00 C ATOM 198 O ARG A 13 -1.883 -13.789 -4.990 1.00 0.00 O ATOM 199 CB ARG A 13 -2.545 -14.658 -7.520 1.00 0.00 C ATOM 200 CG ARG A 13 -2.800 -14.956 -9.003 1.00 0.00 C ATOM 201 CD ARG A 13 -3.780 -16.125 -9.152 1.00 0.00 C ATOM 202 NE ARG A 13 -4.040 -16.421 -10.569 1.00 0.00 N ATOM 203 CZ ARG A 13 -5.188 -16.904 -11.076 1.00 0.00 C ATOM 204 NH1 ARG A 13 -6.225 -17.215 -10.284 1.00 0.00 N ATOM 205 NH2 ARG A 13 -5.299 -17.079 -12.400 1.00 0.00 N ATOM 0 H ARG A 13 -0.451 -13.397 -8.201 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.191 -12.625 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.678 -15.224 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.397 -14.995 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.203 -14.070 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.860 -15.196 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.373 -17.009 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.717 -15.884 -8.650 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.281 -16.244 -11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.152 -17.086 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.086 -17.580 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.517 -16.846 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.165 -17.445 -12.795 1.00 0.00 H new ATOM 219 N VAL A 14 -2.303 -11.615 -5.425 1.00 0.00 N ATOM 220 CA VAL A 14 -2.000 -11.094 -4.097 1.00 0.00 C ATOM 221 C VAL A 14 -3.268 -10.832 -3.278 1.00 0.00 C ATOM 222 O VAL A 14 -3.252 -11.026 -2.064 1.00 0.00 O ATOM 223 CB VAL A 14 -1.070 -9.874 -4.204 1.00 0.00 C ATOM 224 CG1 VAL A 14 -0.621 -9.431 -2.805 1.00 0.00 C ATOM 225 CG2 VAL A 14 0.179 -10.250 -5.018 1.00 0.00 C ATOM 0 H VAL A 14 -2.654 -10.903 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.459 -11.857 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.611 -9.064 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.037 -8.566 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.494 -9.164 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.086 -10.247 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.838 -9.385 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.705 -11.065 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.120 -10.567 -6.017 1.00 0.00 H new ATOM 235 N GLN A 15 -4.376 -10.431 -3.918 1.00 0.00 N ATOM 236 CA GLN A 15 -5.665 -10.326 -3.241 1.00 0.00 C ATOM 237 C GLN A 15 -6.134 -11.699 -2.744 1.00 0.00 C ATOM 238 O GLN A 15 -5.663 -12.731 -3.218 1.00 0.00 O ATOM 239 CB GLN A 15 -6.700 -9.655 -4.153 1.00 0.00 C ATOM 240 CG GLN A 15 -7.047 -10.442 -5.417 1.00 0.00 C ATOM 241 CD GLN A 15 -8.175 -9.750 -6.180 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.195 -10.367 -6.473 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.014 -8.460 -6.481 1.00 0.00 N ATOM 0 H GLN A 15 -4.399 -10.175 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.548 -9.692 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.614 -9.490 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.325 -8.674 -4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.167 -10.527 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.347 -11.456 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.152 -7.979 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.752 -7.954 -6.970 1.00 0.00 H new ATOM 252 N GLY A 16 -7.052 -11.703 -1.770 1.00 0.00 N ATOM 253 CA GLY A 16 -7.605 -12.910 -1.180 1.00 0.00 C ATOM 254 C GLY A 16 -6.904 -13.267 0.130 1.00 0.00 C ATOM 255 O GLY A 16 -7.572 -13.574 1.117 1.00 0.00 O ATOM 0 H GLY A 16 -7.433 -10.847 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.671 -12.771 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.507 -13.737 -1.883 1.00 0.00 H new ATOM 259 N VAL A 17 -5.565 -13.223 0.147 1.00 0.00 N ATOM 260 CA VAL A 17 -4.759 -13.643 1.294 1.00 0.00 C ATOM 261 C VAL A 17 -4.889 -12.690 2.496 1.00 0.00 C ATOM 262 O VAL A 17 -4.417 -13.010 3.585 1.00 0.00 O ATOM 263 CB VAL A 17 -3.296 -13.857 0.853 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.491 -12.551 0.820 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.578 -14.878 1.742 1.00 0.00 C ATOM 0 H VAL A 17 -5.010 -12.892 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.148 -14.596 1.653 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.350 -14.246 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.469 -12.761 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.953 -11.856 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.478 -12.106 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.551 -15.001 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.576 -14.525 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.095 -15.836 1.687 1.00 0.00 H new ATOM 275 N GLY A 18 -5.526 -11.525 2.313 1.00 0.00 N ATOM 276 CA GLY A 18 -5.730 -10.541 3.360 1.00 0.00 C ATOM 277 C GLY A 18 -4.430 -9.816 3.701 1.00 0.00 C ATOM 278 O GLY A 18 -4.125 -9.611 4.873 1.00 0.00 O ATOM 0 H GLY A 18 -5.917 -11.245 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.480 -9.817 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.120 -11.031 4.252 1.00 0.00 H new ATOM 282 N PHE A 19 -3.686 -9.418 2.658 1.00 0.00 N ATOM 283 CA PHE A 19 -2.411 -8.709 2.737 1.00 0.00 C ATOM 284 C PHE A 19 -2.453 -7.512 3.684 1.00 0.00 C ATOM 285 O PHE A 19 -1.463 -7.209 4.345 1.00 0.00 O ATOM 286 CB PHE A 19 -2.015 -8.255 1.324 1.00 0.00 C ATOM 287 CG PHE A 19 -0.519 -8.144 1.113 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.185 -7.016 1.573 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.182 -9.209 0.515 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.582 -6.957 1.440 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.573 -9.129 0.341 1.00 0.00 C ATOM 292 CZ PHE A 19 2.273 -8.001 0.802 1.00 0.00 C ATOM 0 H PHE A 19 -3.975 -9.592 1.695 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.669 -9.395 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.423 -8.959 0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.474 -7.287 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.349 -6.195 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.352 -10.090 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.126 -6.108 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.104 -9.933 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.342 -7.937 0.666 1.00 0.00 H new ATOM 302 N ARG A 20 -3.611 -6.846 3.743 1.00 0.00 N ATOM 303 CA ARG A 20 -3.891 -5.698 4.591 1.00 0.00 C ATOM 304 C ARG A 20 -4.023 -6.072 6.080 1.00 0.00 C ATOM 305 O ARG A 20 -4.970 -5.648 6.741 1.00 0.00 O ATOM 306 CB ARG A 20 -5.171 -5.026 4.067 1.00 0.00 C ATOM 307 CG ARG A 20 -6.367 -6.000 4.061 1.00 0.00 C ATOM 308 CD ARG A 20 -7.630 -5.317 4.585 1.00 0.00 C ATOM 309 NE ARG A 20 -8.744 -6.272 4.692 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.680 -6.293 5.658 1.00 0.00 C ATOM 311 NH1 ARG A 20 -9.703 -5.375 6.635 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.613 -7.256 5.648 1.00 0.00 N ATOM 0 H ARG A 20 -4.413 -7.111 3.171 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.049 -5.008 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.409 -4.162 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.999 -4.655 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.539 -6.364 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.136 -6.869 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.430 -4.876 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.909 -4.501 3.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.813 -6.985 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.999 -4.637 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.424 -5.415 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.608 -7.963 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.327 -7.282 6.376 1.00 0.00 H new ATOM 326 N TYR A 21 -3.080 -6.854 6.618 1.00 0.00 N ATOM 327 CA TYR A 21 -3.122 -7.362 7.979 1.00 0.00 C ATOM 328 C TYR A 21 -2.441 -6.356 8.907 1.00 0.00 C ATOM 329 O TYR A 21 -3.104 -5.696 9.706 1.00 0.00 O ATOM 330 CB TYR A 21 -2.470 -8.756 8.021 1.00 0.00 C ATOM 331 CG TYR A 21 -2.876 -9.609 9.207 1.00 0.00 C ATOM 332 CD1 TYR A 21 -2.455 -9.275 10.509 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.679 -10.749 9.006 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.858 -10.060 11.604 1.00 0.00 C ATOM 335 CE2 TYR A 21 -4.068 -11.541 10.099 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.667 -11.192 11.400 1.00 0.00 C ATOM 337 OH TYR A 21 -4.066 -11.953 12.459 1.00 0.00 O ATOM 0 H TYR A 21 -2.252 -7.153 6.102 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.149 -7.479 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.723 -9.288 7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.387 -8.636 8.031 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.822 -8.415 10.667 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.996 -11.015 8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.546 -9.793 12.603 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.676 -12.419 9.939 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.620 -12.695 12.138 1.00 0.00 H new ATOM 347 N THR A 22 -1.115 -6.235 8.777 1.00 0.00 N ATOM 348 CA THR A 22 -0.271 -5.348 9.567 1.00 0.00 C ATOM 349 C THR A 22 0.061 -4.063 8.795 1.00 0.00 C ATOM 350 O THR A 22 0.911 -3.289 9.234 1.00 0.00 O ATOM 351 CB THR A 22 0.987 -6.122 10.004 1.00 0.00 C ATOM 352 OG1 THR A 22 1.722 -5.381 10.956 1.00 0.00 O ATOM 353 CG2 THR A 22 1.891 -6.475 8.817 1.00 0.00 C ATOM 0 H THR A 22 -0.586 -6.775 8.092 1.00 0.00 H new ATOM 0 HA THR A 22 -0.804 -5.026 10.461 1.00 0.00 H new ATOM 0 HB THR A 22 0.644 -7.054 10.453 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.762 -4.442 10.679 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.765 -7.020 9.174 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.339 -7.097 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.213 -5.560 8.320 1.00 0.00 H new ATOM 361 N THR A 23 -0.631 -3.804 7.673 1.00 0.00 N ATOM 362 CA THR A 23 -0.535 -2.527 6.982 1.00 0.00 C ATOM 363 C THR A 23 -0.960 -1.376 7.903 1.00 0.00 C ATOM 364 O THR A 23 -0.308 -0.334 7.912 1.00 0.00 O ATOM 365 CB THR A 23 -1.321 -2.566 5.664 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.008 -1.431 4.886 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.838 -2.624 5.876 1.00 0.00 C ATOM 0 H THR A 23 -1.263 -4.472 7.231 1.00 0.00 H new ATOM 0 HA THR A 23 0.506 -2.341 6.718 1.00 0.00 H new ATOM 0 HB THR A 23 -1.026 -3.480 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.796 -0.852 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.340 -2.650 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.092 -3.521 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.162 -1.743 6.430 1.00 0.00 H new ATOM 375 N GLN A 24 -2.011 -1.584 8.710 1.00 0.00 N ATOM 376 CA GLN A 24 -2.470 -0.658 9.732 1.00 0.00 C ATOM 377 C GLN A 24 -1.315 -0.295 10.658 1.00 0.00 C ATOM 378 O GLN A 24 -0.954 0.874 10.773 1.00 0.00 O ATOM 379 CB GLN A 24 -3.590 -1.340 10.528 1.00 0.00 C ATOM 380 CG GLN A 24 -4.887 -1.366 9.715 1.00 0.00 C ATOM 381 CD GLN A 24 -5.684 -0.076 9.831 1.00 0.00 C ATOM 382 OE1 GLN A 24 -5.738 0.552 10.887 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.335 0.306 8.740 1.00 0.00 N ATOM 0 H GLN A 24 -2.577 -2.431 8.660 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.843 0.257 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.294 -2.357 10.784 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.753 -0.809 11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.649 -1.547 8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.504 -2.200 10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.263 -0.244 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.908 1.150 8.757 1.00 0.00 H new ATOM 392 N TYR A 25 -0.761 -1.318 11.319 1.00 0.00 N ATOM 393 CA TYR A 25 0.259 -1.167 12.342 1.00 0.00 C ATOM 394 C TYR A 25 1.445 -0.373 11.807 1.00 0.00 C ATOM 395 O TYR A 25 1.790 0.668 12.367 1.00 0.00 O ATOM 396 CB TYR A 25 0.688 -2.554 12.846 1.00 0.00 C ATOM 397 CG TYR A 25 0.925 -2.600 14.341 1.00 0.00 C ATOM 398 CD1 TYR A 25 2.131 -2.118 14.882 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.095 -3.056 15.197 1.00 0.00 C ATOM 400 CE1 TYR A 25 2.329 -2.127 16.274 1.00 0.00 C ATOM 401 CE2 TYR A 25 0.103 -3.064 16.588 1.00 0.00 C ATOM 402 CZ TYR A 25 1.318 -2.606 17.126 1.00 0.00 C ATOM 403 OH TYR A 25 1.520 -2.628 18.475 1.00 0.00 O ATOM 0 H TYR A 25 -1.020 -2.290 11.148 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.151 -0.606 13.182 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.080 -3.282 12.584 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.601 -2.854 12.331 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.904 -1.741 14.229 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.032 -3.400 14.784 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.258 -1.766 16.689 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.678 -3.422 17.243 1.00 0.00 H new ATOM 0 HH TYR A 25 0.723 -2.987 18.919 1.00 0.00 H new ATOM 413 N GLU A 26 2.041 -0.866 10.713 1.00 0.00 N ATOM 414 CA GLU A 26 3.200 -0.246 10.081 1.00 0.00 C ATOM 415 C GLU A 26 2.895 1.215 9.758 1.00 0.00 C ATOM 416 O GLU A 26 3.610 2.113 10.197 1.00 0.00 O ATOM 417 CB GLU A 26 3.581 -1.026 8.808 1.00 0.00 C ATOM 418 CG GLU A 26 4.785 -1.957 9.024 1.00 0.00 C ATOM 419 CD GLU A 26 6.124 -1.216 9.061 1.00 0.00 C ATOM 420 OE1 GLU A 26 6.111 0.014 9.286 1.00 0.00 O ATOM 421 OE2 GLU A 26 7.149 -1.902 8.855 1.00 0.00 O ATOM 0 H GLU A 26 1.725 -1.714 10.242 1.00 0.00 H new ATOM 0 HA GLU A 26 4.047 -0.275 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.726 -1.615 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.810 -0.321 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.652 -2.500 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.810 -2.699 8.226 1.00 0.00 H new ATOM 428 N ALA A 27 1.808 1.438 9.010 1.00 0.00 N ATOM 429 CA ALA A 27 1.403 2.765 8.573 1.00 0.00 C ATOM 430 C ALA A 27 1.226 3.722 9.746 1.00 0.00 C ATOM 431 O ALA A 27 1.508 4.904 9.591 1.00 0.00 O ATOM 432 CB ALA A 27 0.107 2.680 7.765 1.00 0.00 C ATOM 0 H ALA A 27 1.186 0.694 8.693 1.00 0.00 H new ATOM 0 HA ALA A 27 2.200 3.160 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.187 3.679 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.264 2.048 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.681 2.252 8.385 1.00 0.00 H new ATOM 438 N LYS A 28 0.767 3.229 10.906 1.00 0.00 N ATOM 439 CA LYS A 28 0.594 4.054 12.097 1.00 0.00 C ATOM 440 C LYS A 28 1.932 4.538 12.665 1.00 0.00 C ATOM 441 O LYS A 28 1.999 5.667 13.147 1.00 0.00 O ATOM 442 CB LYS A 28 -0.226 3.321 13.174 1.00 0.00 C ATOM 443 CG LYS A 28 -1.573 4.021 13.390 1.00 0.00 C ATOM 444 CD LYS A 28 -2.384 3.309 14.476 1.00 0.00 C ATOM 445 CE LYS A 28 -3.666 4.091 14.787 1.00 0.00 C ATOM 446 NZ LYS A 28 -4.557 3.333 15.683 1.00 0.00 N ATOM 0 H LYS A 28 0.508 2.251 11.038 1.00 0.00 H new ATOM 0 HA LYS A 28 0.035 4.937 11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.391 2.286 12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.332 3.296 14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.407 5.060 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.136 4.033 12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.636 2.301 14.148 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.783 3.209 15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.409 5.044 15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.189 4.318 13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.414 3.890 15.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.821 2.434 15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.065 3.138 16.578 1.00 0.00 H new ATOM 460 N ARG A 29 2.990 3.712 12.614 1.00 0.00 N ATOM 461 CA ARG A 29 4.312 4.121 13.065 1.00 0.00 C ATOM 462 C ARG A 29 4.814 5.326 12.262 1.00 0.00 C ATOM 463 O ARG A 29 5.295 6.289 12.855 1.00 0.00 O ATOM 464 CB ARG A 29 5.320 2.965 12.976 1.00 0.00 C ATOM 465 CG ARG A 29 4.935 1.692 13.738 1.00 0.00 C ATOM 466 CD ARG A 29 4.630 1.969 15.213 1.00 0.00 C ATOM 467 NE ARG A 29 5.054 0.858 16.079 1.00 0.00 N ATOM 468 CZ ARG A 29 6.325 0.607 16.445 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.330 1.384 16.016 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.594 -0.434 17.246 1.00 0.00 N ATOM 0 H ARG A 29 2.945 2.756 12.262 1.00 0.00 H new ATOM 0 HA ARG A 29 4.224 4.411 14.112 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.461 2.710 11.926 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.282 3.315 13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.062 1.239 13.267 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.747 0.968 13.667 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.135 2.884 15.523 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.560 2.138 15.337 1.00 0.00 H new ATOM 0 HE ARG A 29 4.330 0.230 16.429 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.136 2.177 15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.288 1.182 16.301 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.837 -1.033 17.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.556 -0.627 17.525 1.00 0.00 H new ATOM 484 N LEU A 30 4.695 5.284 10.929 1.00 0.00 N ATOM 485 CA LEU A 30 5.123 6.387 10.074 1.00 0.00 C ATOM 486 C LEU A 30 4.059 7.491 9.980 1.00 0.00 C ATOM 487 O LEU A 30 4.386 8.630 9.654 1.00 0.00 O ATOM 488 CB LEU A 30 5.489 5.867 8.678 1.00 0.00 C ATOM 489 CG LEU A 30 6.744 4.980 8.575 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.950 5.554 9.327 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.499 3.533 9.010 1.00 0.00 C ATOM 0 H LEU A 30 4.303 4.491 10.421 1.00 0.00 H new ATOM 0 HA LEU A 30 6.007 6.832 10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.641 5.301 8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.625 6.726 8.020 1.00 0.00 H new ATOM 0 HG LEU A 30 6.982 4.974 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.801 4.883 9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.203 6.532 8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.705 5.656 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.423 2.963 8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.169 3.516 10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.730 3.088 8.378 1.00 0.00 H new ATOM 503 N GLY A 31 2.792 7.169 10.255 1.00 0.00 N ATOM 504 CA GLY A 31 1.669 8.091 10.171 1.00 0.00 C ATOM 505 C GLY A 31 1.193 8.328 8.739 1.00 0.00 C ATOM 506 O GLY A 31 0.701 9.413 8.429 1.00 0.00 O ATOM 0 H GLY A 31 2.517 6.232 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.841 7.700 10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.956 9.044 10.615 1.00 0.00 H new ATOM 510 N LEU A 32 1.319 7.318 7.871 1.00 0.00 N ATOM 511 CA LEU A 32 0.830 7.382 6.498 1.00 0.00 C ATOM 512 C LEU A 32 -0.682 7.215 6.468 1.00 0.00 C ATOM 513 O LEU A 32 -1.240 6.402 7.202 1.00 0.00 O ATOM 514 CB LEU A 32 1.493 6.316 5.605 1.00 0.00 C ATOM 515 CG LEU A 32 2.779 6.812 4.928 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.428 7.757 3.785 1.00 0.00 C ATOM 517 CD2 LEU A 32 3.702 7.538 5.907 1.00 0.00 C ATOM 0 H LEU A 32 1.765 6.432 8.107 1.00 0.00 H new ATOM 0 HA LEU A 32 1.095 8.362 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.723 5.437 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.785 6.001 4.839 1.00 0.00 H new ATOM 0 HG LEU A 32 3.306 5.935 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.343 8.106 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.815 7.231 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.874 8.611 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.598 7.871 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.184 8.402 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.983 6.860 6.713 1.00 0.00 H new ATOM 529 N THR A 33 -1.321 7.993 5.588 1.00 0.00 N ATOM 530 CA THR A 33 -2.756 7.940 5.342 1.00 0.00 C ATOM 531 C THR A 33 -3.008 7.043 4.120 1.00 0.00 C ATOM 532 O THR A 33 -2.128 6.258 3.766 1.00 0.00 O ATOM 533 CB THR A 33 -3.319 9.362 5.190 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.925 9.921 3.960 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.859 10.284 6.326 1.00 0.00 C ATOM 0 H THR A 33 -0.841 8.689 5.018 1.00 0.00 H new ATOM 0 HA THR A 33 -3.286 7.500 6.187 1.00 0.00 H new ATOM 0 HB THR A 33 -4.405 9.278 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.155 10.874 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.279 11.279 6.180 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.199 9.883 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.771 10.346 6.326 1.00 0.00 H new ATOM 543 N GLY A 34 -4.168 7.154 3.454 1.00 0.00 N ATOM 544 CA GLY A 34 -4.421 6.451 2.199 1.00 0.00 C ATOM 545 C GLY A 34 -5.360 5.275 2.385 1.00 0.00 C ATOM 546 O GLY A 34 -6.244 5.311 3.238 1.00 0.00 O ATOM 0 H GLY A 34 -4.947 7.730 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.848 7.145 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.477 6.099 1.784 1.00 0.00 H new ATOM 550 N TYR A 35 -5.178 4.241 1.559 1.00 0.00 N ATOM 551 CA TYR A 35 -5.977 3.021 1.660 1.00 0.00 C ATOM 552 C TYR A 35 -5.456 1.873 0.795 1.00 0.00 C ATOM 553 O TYR A 35 -4.752 2.097 -0.189 1.00 0.00 O ATOM 554 CB TYR A 35 -7.454 3.283 1.323 1.00 0.00 C ATOM 555 CG TYR A 35 -7.705 3.667 -0.125 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.941 2.675 -1.097 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.621 5.017 -0.516 1.00 0.00 C ATOM 558 CE1 TYR A 35 -8.067 3.031 -2.451 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.752 5.371 -1.870 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.965 4.377 -2.840 1.00 0.00 C ATOM 561 OH TYR A 35 -8.073 4.712 -4.157 1.00 0.00 O ATOM 0 H TYR A 35 -4.483 4.226 0.813 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.888 2.711 2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.032 2.388 1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.826 4.079 1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.025 1.640 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.455 5.783 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.243 2.268 -3.194 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.689 6.408 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.981 5.683 -4.256 1.00 0.00 H new ATOM 571 N ALA A 36 -5.845 0.647 1.178 1.00 0.00 N ATOM 572 CA ALA A 36 -5.470 -0.598 0.521 1.00 0.00 C ATOM 573 C ALA A 36 -6.715 -1.324 0.001 1.00 0.00 C ATOM 574 O ALA A 36 -7.373 -2.026 0.770 1.00 0.00 O ATOM 575 CB ALA A 36 -4.728 -1.469 1.537 1.00 0.00 C ATOM 0 H ALA A 36 -6.452 0.499 1.984 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.826 -0.390 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.437 -2.408 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.837 -0.945 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.381 -1.675 2.385 1.00 0.00 H new ATOM 581 N LYS A 37 -7.036 -1.161 -1.290 1.00 0.00 N ATOM 582 CA LYS A 37 -8.159 -1.840 -1.940 1.00 0.00 C ATOM 583 C LYS A 37 -7.676 -2.931 -2.890 1.00 0.00 C ATOM 584 O LYS A 37 -6.484 -3.031 -3.165 1.00 0.00 O ATOM 585 CB LYS A 37 -9.058 -0.828 -2.668 1.00 0.00 C ATOM 586 CG LYS A 37 -10.226 -0.440 -1.755 1.00 0.00 C ATOM 587 CD LYS A 37 -11.224 0.504 -2.434 1.00 0.00 C ATOM 588 CE LYS A 37 -12.425 0.792 -1.520 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.209 -0.420 -1.210 1.00 0.00 N ATOM 0 H LYS A 37 -6.516 -0.547 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.752 -2.324 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.483 0.058 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.434 -1.260 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.747 -1.343 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.835 0.037 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.727 1.439 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.572 0.060 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.070 1.238 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.073 1.526 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.117 -0.146 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.385 -0.953 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.678 -1.016 -0.543 1.00 0.00 H new ATOM 603 N ASN A 38 -8.615 -3.749 -3.383 1.00 0.00 N ATOM 604 CA ASN A 38 -8.352 -4.834 -4.320 1.00 0.00 C ATOM 605 C ASN A 38 -9.159 -4.595 -5.598 1.00 0.00 C ATOM 606 O ASN A 38 -10.357 -4.321 -5.531 1.00 0.00 O ATOM 607 CB ASN A 38 -8.671 -6.206 -3.701 1.00 0.00 C ATOM 608 CG ASN A 38 -7.977 -6.510 -2.376 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.233 -5.708 -1.822 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.230 -7.709 -1.857 1.00 0.00 N ATOM 0 H ASN A 38 -9.600 -3.668 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.290 -4.844 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.748 -6.275 -3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.399 -6.980 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.800 -7.983 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.854 -8.354 -2.343 1.00 0.00 H new ATOM 617 N LEU A 39 -8.492 -4.704 -6.754 1.00 0.00 N ATOM 618 CA LEU A 39 -9.090 -4.618 -8.082 1.00 0.00 C ATOM 619 C LEU A 39 -9.997 -5.824 -8.346 1.00 0.00 C ATOM 620 O LEU A 39 -10.062 -6.759 -7.550 1.00 0.00 O ATOM 621 CB LEU A 39 -7.983 -4.547 -9.158 1.00 0.00 C ATOM 622 CG LEU A 39 -7.409 -3.144 -9.421 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.233 -3.244 -10.399 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.469 -2.212 -10.023 1.00 0.00 C ATOM 0 H LEU A 39 -7.485 -4.860 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.695 -3.712 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.167 -5.205 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.383 -4.939 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.080 -2.733 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.828 -2.249 -10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.457 -3.878 -9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.577 -3.676 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.032 -1.229 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.822 -2.625 -10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.307 -2.120 -9.332 1.00 0.00 H new ATOM 636 N ASP A 40 -10.682 -5.795 -9.493 1.00 0.00 N ATOM 637 CA ASP A 40 -11.569 -6.853 -9.958 1.00 0.00 C ATOM 638 C ASP A 40 -10.858 -7.783 -10.958 1.00 0.00 C ATOM 639 O ASP A 40 -11.523 -8.540 -11.662 1.00 0.00 O ATOM 640 CB ASP A 40 -12.808 -6.181 -10.570 1.00 0.00 C ATOM 641 CG ASP A 40 -13.951 -7.157 -10.848 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.336 -7.871 -9.897 1.00 0.00 O ATOM 643 OD2 ASP A 40 -14.432 -7.156 -12.002 1.00 0.00 O ATOM 0 H ASP A 40 -10.629 -5.008 -10.140 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.870 -7.491 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.161 -5.402 -9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.524 -5.691 -11.501 1.00 0.00 H new ATOM 648 N ASP A 41 -9.517 -7.730 -11.029 1.00 0.00 N ATOM 649 CA ASP A 41 -8.722 -8.459 -12.017 1.00 0.00 C ATOM 650 C ASP A 41 -7.728 -9.435 -11.376 1.00 0.00 C ATOM 651 O ASP A 41 -7.210 -10.313 -12.065 1.00 0.00 O ATOM 652 CB ASP A 41 -8.023 -7.442 -12.926 1.00 0.00 C ATOM 653 CG ASP A 41 -7.434 -8.095 -14.174 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.237 -8.438 -15.069 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.192 -8.233 -14.214 1.00 0.00 O ATOM 0 H ASP A 41 -8.952 -7.170 -10.390 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.389 -9.084 -12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.735 -6.672 -13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.229 -6.944 -12.369 1.00 0.00 H new ATOM 660 N GLY A 42 -7.483 -9.304 -10.064 1.00 0.00 N ATOM 661 CA GLY A 42 -6.642 -10.193 -9.278 1.00 0.00 C ATOM 662 C GLY A 42 -5.520 -9.488 -8.516 1.00 0.00 C ATOM 663 O GLY A 42 -4.619 -10.154 -8.012 1.00 0.00 O ATOM 0 H GLY A 42 -7.883 -8.547 -9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.268 -10.730 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.202 -10.938 -9.941 1.00 0.00 H new ATOM 667 N SER A 43 -5.563 -8.154 -8.454 1.00 0.00 N ATOM 668 CA SER A 43 -4.461 -7.292 -8.031 1.00 0.00 C ATOM 669 C SER A 43 -4.884 -6.336 -6.904 1.00 0.00 C ATOM 670 O SER A 43 -6.077 -6.159 -6.670 1.00 0.00 O ATOM 671 CB SER A 43 -3.959 -6.536 -9.273 1.00 0.00 C ATOM 672 OG SER A 43 -5.013 -6.259 -10.175 1.00 0.00 O ATOM 0 H SER A 43 -6.399 -7.627 -8.707 1.00 0.00 H new ATOM 0 HA SER A 43 -3.654 -7.894 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.488 -5.603 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.195 -7.128 -9.776 1.00 0.00 H new ATOM 0 HG SER A 43 -4.660 -5.777 -10.952 1.00 0.00 H new ATOM 678 N VAL A 44 -3.906 -5.762 -6.179 1.00 0.00 N ATOM 679 CA VAL A 44 -4.125 -4.909 -5.002 1.00 0.00 C ATOM 680 C VAL A 44 -3.608 -3.483 -5.248 1.00 0.00 C ATOM 681 O VAL A 44 -2.481 -3.314 -5.705 1.00 0.00 O ATOM 682 CB VAL A 44 -3.444 -5.536 -3.768 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.667 -4.696 -2.502 1.00 0.00 C ATOM 684 CG2 VAL A 44 -3.982 -6.948 -3.503 1.00 0.00 C ATOM 0 H VAL A 44 -2.918 -5.883 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.197 -4.841 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.378 -5.574 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.171 -5.173 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.253 -3.698 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.735 -4.619 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.486 -7.368 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.056 -6.900 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.787 -7.580 -4.369 1.00 0.00 H new ATOM 694 N GLU A 45 -4.409 -2.459 -4.916 1.00 0.00 N ATOM 695 CA GLU A 45 -4.056 -1.047 -5.052 1.00 0.00 C ATOM 696 C GLU A 45 -3.766 -0.429 -3.680 1.00 0.00 C ATOM 697 O GLU A 45 -4.688 -0.290 -2.876 1.00 0.00 O ATOM 698 CB GLU A 45 -5.227 -0.272 -5.677 1.00 0.00 C ATOM 699 CG GLU A 45 -5.829 -0.978 -6.889 1.00 0.00 C ATOM 700 CD GLU A 45 -6.786 -0.055 -7.638 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.909 0.132 -7.124 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.376 0.452 -8.705 1.00 0.00 O ATOM 0 H GLU A 45 -5.345 -2.600 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.171 -0.983 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.003 -0.128 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.883 0.719 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.032 -1.303 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.359 -1.874 -6.566 1.00 0.00 H new ATOM 709 N VAL A 46 -2.515 -0.032 -3.414 1.00 0.00 N ATOM 710 CA VAL A 46 -2.130 0.580 -2.139 1.00 0.00 C ATOM 711 C VAL A 46 -1.756 2.050 -2.361 1.00 0.00 C ATOM 712 O VAL A 46 -1.029 2.343 -3.306 1.00 0.00 O ATOM 713 CB VAL A 46 -0.947 -0.191 -1.527 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.592 0.355 -0.135 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.263 -1.687 -1.405 1.00 0.00 C ATOM 0 H VAL A 46 -1.744 -0.126 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.971 0.535 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.098 -0.055 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.247 -0.208 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.318 1.407 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.453 0.254 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.409 -2.205 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.135 -1.824 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.470 -2.097 -2.393 1.00 0.00 H new ATOM 725 N VAL A 47 -2.229 2.964 -1.499 1.00 0.00 N ATOM 726 CA VAL A 47 -1.929 4.401 -1.603 1.00 0.00 C ATOM 727 C VAL A 47 -1.459 4.958 -0.252 1.00 0.00 C ATOM 728 O VAL A 47 -1.978 4.528 0.778 1.00 0.00 O ATOM 729 CB VAL A 47 -3.163 5.195 -2.070 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.744 6.534 -2.690 1.00 0.00 C ATOM 731 CG2 VAL A 47 -4.029 4.438 -3.086 1.00 0.00 C ATOM 0 H VAL A 47 -2.830 2.727 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.134 4.512 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.762 5.355 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.631 7.079 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.205 7.125 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.098 6.351 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.880 5.056 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.435 4.208 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.388 3.511 -2.639 1.00 0.00 H new ATOM 741 N ALA A 48 -0.487 5.892 -0.255 1.00 0.00 N ATOM 742 CA ALA A 48 0.158 6.342 0.983 1.00 0.00 C ATOM 743 C ALA A 48 0.669 7.794 0.871 1.00 0.00 C ATOM 744 O ALA A 48 1.527 8.039 0.026 1.00 0.00 O ATOM 745 CB ALA A 48 1.335 5.381 1.242 1.00 0.00 C ATOM 0 H ALA A 48 -0.137 6.344 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.560 6.330 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.850 5.675 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.958 4.364 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.031 5.424 0.404 1.00 0.00 H new ATOM 751 N CYS A 49 0.190 8.744 1.700 1.00 0.00 N ATOM 752 CA CYS A 49 0.595 10.168 1.656 1.00 0.00 C ATOM 753 C CYS A 49 1.450 10.593 2.851 1.00 0.00 C ATOM 754 O CYS A 49 1.064 10.394 4.002 1.00 0.00 O ATOM 755 CB CYS A 49 -0.623 11.086 1.712 1.00 0.00 C ATOM 756 SG CYS A 49 -1.722 11.137 0.285 1.00 0.00 S ATOM 0 H CYS A 49 -0.496 8.544 2.427 1.00 0.00 H new ATOM 0 HA CYS A 49 1.157 10.258 0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.217 10.797 2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.267 12.100 1.893 1.00 0.00 H new ATOM 761 N GLY A 50 2.561 11.277 2.571 1.00 0.00 N ATOM 762 CA GLY A 50 3.509 11.760 3.566 1.00 0.00 C ATOM 763 C GLY A 50 4.880 11.956 2.924 1.00 0.00 C ATOM 764 O GLY A 50 4.981 11.988 1.699 1.00 0.00 O ATOM 0 H GLY A 50 2.830 11.515 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.158 12.701 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.581 11.048 4.388 1.00 0.00 H new ATOM 768 N GLU A 51 5.933 12.073 3.745 1.00 0.00 N ATOM 769 CA GLU A 51 7.310 12.115 3.267 1.00 0.00 C ATOM 770 C GLU A 51 7.745 10.731 2.766 1.00 0.00 C ATOM 771 O GLU A 51 7.633 9.739 3.484 1.00 0.00 O ATOM 772 CB GLU A 51 8.266 12.653 4.345 1.00 0.00 C ATOM 773 CG GLU A 51 8.077 12.030 5.737 1.00 0.00 C ATOM 774 CD GLU A 51 7.230 12.917 6.642 1.00 0.00 C ATOM 775 OE1 GLU A 51 5.990 12.772 6.574 1.00 0.00 O ATOM 776 OE2 GLU A 51 7.838 13.735 7.365 1.00 0.00 O ATOM 0 H GLU A 51 5.847 12.141 4.759 1.00 0.00 H new ATOM 0 HA GLU A 51 7.357 12.809 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.292 12.480 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.134 13.732 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.603 11.054 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.051 11.866 6.197 1.00 0.00 H new ATOM 783 N GLU A 52 8.250 10.680 1.527 1.00 0.00 N ATOM 784 CA GLU A 52 8.667 9.457 0.845 1.00 0.00 C ATOM 785 C GLU A 52 9.677 8.661 1.678 1.00 0.00 C ATOM 786 O GLU A 52 9.584 7.441 1.790 1.00 0.00 O ATOM 787 CB GLU A 52 9.270 9.807 -0.524 1.00 0.00 C ATOM 788 CG GLU A 52 8.532 9.081 -1.657 1.00 0.00 C ATOM 789 CD GLU A 52 8.673 7.564 -1.555 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.833 7.100 -1.571 1.00 0.00 O ATOM 791 OE2 GLU A 52 7.620 6.896 -1.462 1.00 0.00 O ATOM 0 H GLU A 52 8.382 11.516 0.958 1.00 0.00 H new ATOM 0 HA GLU A 52 7.786 8.830 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.217 10.884 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.325 9.534 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.476 9.349 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.923 9.417 -2.617 1.00 0.00 H new ATOM 798 N GLY A 53 10.638 9.382 2.265 1.00 0.00 N ATOM 799 CA GLY A 53 11.644 8.879 3.179 1.00 0.00 C ATOM 800 C GLY A 53 11.080 7.888 4.197 1.00 0.00 C ATOM 801 O GLY A 53 11.700 6.860 4.465 1.00 0.00 O ATOM 0 H GLY A 53 10.732 10.384 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.436 8.395 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.098 9.717 3.708 1.00 0.00 H new ATOM 805 N GLN A 54 9.903 8.201 4.754 1.00 0.00 N ATOM 806 CA GLN A 54 9.206 7.364 5.714 1.00 0.00 C ATOM 807 C GLN A 54 8.437 6.241 5.022 1.00 0.00 C ATOM 808 O GLN A 54 8.522 5.096 5.459 1.00 0.00 O ATOM 809 CB GLN A 54 8.261 8.217 6.557 1.00 0.00 C ATOM 810 CG GLN A 54 9.065 8.990 7.614 1.00 0.00 C ATOM 811 CD GLN A 54 8.212 9.863 8.534 1.00 0.00 C ATOM 812 OE1 GLN A 54 6.971 9.457 8.804 1.00 0.00 O flip ATOM 813 NE2 GLN A 54 8.683 10.888 9.018 1.00 0.00 N flip ATOM 0 H GLN A 54 9.405 9.065 4.539 1.00 0.00 H new ATOM 0 HA GLN A 54 9.949 6.902 6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.717 8.913 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.519 7.583 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.623 8.278 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.797 9.621 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.637 11.168 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.121 11.459 9.649 1.00 0.00 H new ATOM 822 N VAL A 55 7.682 6.568 3.965 1.00 0.00 N ATOM 823 CA VAL A 55 6.932 5.599 3.166 1.00 0.00 C ATOM 824 C VAL A 55 7.769 4.350 2.898 1.00 0.00 C ATOM 825 O VAL A 55 7.325 3.235 3.160 1.00 0.00 O ATOM 826 CB VAL A 55 6.480 6.227 1.838 1.00 0.00 C ATOM 827 CG1 VAL A 55 5.819 5.168 0.942 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.486 7.362 2.082 1.00 0.00 C ATOM 0 H VAL A 55 7.576 7.529 3.639 1.00 0.00 H new ATOM 0 HA VAL A 55 6.049 5.307 3.734 1.00 0.00 H new ATOM 0 HB VAL A 55 7.365 6.627 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.505 5.629 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.533 4.371 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.950 4.752 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.181 7.790 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.610 6.973 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.957 8.133 2.692 1.00 0.00 H new ATOM 838 N GLU A 56 8.987 4.548 2.383 1.00 0.00 N ATOM 839 CA GLU A 56 9.881 3.467 2.005 1.00 0.00 C ATOM 840 C GLU A 56 10.113 2.477 3.157 1.00 0.00 C ATOM 841 O GLU A 56 10.200 1.275 2.921 1.00 0.00 O ATOM 842 CB GLU A 56 11.199 4.050 1.480 1.00 0.00 C ATOM 843 CG GLU A 56 11.721 3.205 0.310 1.00 0.00 C ATOM 844 CD GLU A 56 13.060 3.697 -0.238 1.00 0.00 C ATOM 845 OE1 GLU A 56 13.587 4.691 0.307 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.537 3.057 -1.200 1.00 0.00 O ATOM 0 H GLU A 56 9.377 5.476 2.218 1.00 0.00 H new ATOM 0 HA GLU A 56 9.409 2.894 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.047 5.079 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.939 4.074 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.828 2.171 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.983 3.212 -0.492 1.00 0.00 H new ATOM 853 N LYS A 57 10.182 2.979 4.399 1.00 0.00 N ATOM 854 CA LYS A 57 10.390 2.172 5.594 1.00 0.00 C ATOM 855 C LYS A 57 9.249 1.167 5.776 1.00 0.00 C ATOM 856 O LYS A 57 9.509 0.002 6.071 1.00 0.00 O ATOM 857 CB LYS A 57 10.526 3.043 6.854 1.00 0.00 C ATOM 858 CG LYS A 57 11.417 4.285 6.708 1.00 0.00 C ATOM 859 CD LYS A 57 12.885 4.018 6.361 1.00 0.00 C ATOM 860 CE LYS A 57 13.639 3.327 7.504 1.00 0.00 C ATOM 861 NZ LYS A 57 15.022 3.827 7.612 1.00 0.00 N ATOM 0 H LYS A 57 10.092 3.976 4.596 1.00 0.00 H new ATOM 0 HA LYS A 57 11.325 1.629 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.531 3.366 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.923 2.426 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.992 4.925 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.381 4.846 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.937 3.397 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.377 4.961 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.114 3.497 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.651 2.250 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.507 3.341 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.528 3.642 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.008 4.850 7.796 1.00 0.00 H new ATOM 875 N LEU A 58 7.995 1.610 5.590 1.00 0.00 N ATOM 876 CA LEU A 58 6.823 0.745 5.698 1.00 0.00 C ATOM 877 C LEU A 58 6.761 -0.215 4.509 1.00 0.00 C ATOM 878 O LEU A 58 6.311 -1.350 4.655 1.00 0.00 O ATOM 879 CB LEU A 58 5.541 1.580 5.905 1.00 0.00 C ATOM 880 CG LEU A 58 4.693 1.897 4.658 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.637 0.817 4.375 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.962 3.227 4.858 1.00 0.00 C ATOM 0 H LEU A 58 7.772 2.579 5.361 1.00 0.00 H new ATOM 0 HA LEU A 58 6.908 0.119 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.907 1.053 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.825 2.525 6.368 1.00 0.00 H new ATOM 0 HG LEU A 58 5.380 1.941 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.067 1.089 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.131 -0.141 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.963 0.735 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.363 3.449 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.311 3.157 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.691 4.023 5.012 1.00 0.00 H new ATOM 894 N MET A 59 7.238 0.226 3.336 1.00 0.00 N ATOM 895 CA MET A 59 7.289 -0.604 2.145 1.00 0.00 C ATOM 896 C MET A 59 8.275 -1.758 2.287 1.00 0.00 C ATOM 897 O MET A 59 8.080 -2.770 1.621 1.00 0.00 O ATOM 898 CB MET A 59 7.586 0.218 0.894 1.00 0.00 C ATOM 899 CG MET A 59 6.517 1.281 0.627 1.00 0.00 C ATOM 900 SD MET A 59 5.441 0.920 -0.787 1.00 0.00 S ATOM 901 CE MET A 59 4.027 1.971 -0.372 1.00 0.00 C ATOM 0 H MET A 59 7.597 1.170 3.196 1.00 0.00 H new ATOM 0 HA MET A 59 6.296 -1.039 2.030 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.557 0.702 1.002 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.656 -0.447 0.033 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.900 1.391 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.008 2.239 0.459 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.262 1.872 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.616 1.664 0.590 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.351 3.010 -0.313 1.00 0.00 H new ATOM 911 N GLN A 60 9.300 -1.650 3.145 1.00 0.00 N ATOM 912 CA GLN A 60 10.176 -2.785 3.430 1.00 0.00 C ATOM 913 C GLN A 60 9.330 -4.023 3.719 1.00 0.00 C ATOM 914 O GLN A 60 9.578 -5.087 3.133 1.00 0.00 O ATOM 915 CB GLN A 60 11.132 -2.478 4.592 1.00 0.00 C ATOM 916 CG GLN A 60 12.099 -1.340 4.236 1.00 0.00 C ATOM 917 CD GLN A 60 13.171 -1.148 5.303 1.00 0.00 C ATOM 918 OE1 GLN A 60 14.342 -1.441 5.073 1.00 0.00 O ATOM 919 NE2 GLN A 60 12.777 -0.647 6.475 1.00 0.00 N ATOM 0 H GLN A 60 9.538 -0.795 3.647 1.00 0.00 H new ATOM 0 HA GLN A 60 10.795 -2.978 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.556 -2.205 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.699 -3.374 4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.574 -1.554 3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.539 -0.413 4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.795 -0.416 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.458 -0.495 7.219 1.00 0.00 H new ATOM 928 N TRP A 61 8.323 -3.907 4.583 1.00 0.00 N ATOM 929 CA TRP A 61 7.451 -5.010 4.918 1.00 0.00 C ATOM 930 C TRP A 61 6.685 -5.540 3.691 1.00 0.00 C ATOM 931 O TRP A 61 6.501 -6.746 3.585 1.00 0.00 O ATOM 932 CB TRP A 61 6.507 -4.609 6.049 1.00 0.00 C ATOM 933 CG TRP A 61 5.312 -5.490 6.151 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.264 -6.756 6.621 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.998 -5.211 5.615 1.00 0.00 C ATOM 936 NE1 TRP A 61 4.003 -7.281 6.408 1.00 0.00 N ATOM 937 CE2 TRP A 61 3.182 -6.364 5.779 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.443 -4.094 4.963 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.853 -6.400 5.340 1.00 0.00 C ATOM 940 CZ3 TRP A 61 2.095 -4.104 4.554 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.301 -5.251 4.753 1.00 0.00 C ATOM 0 H TRP A 61 8.096 -3.039 5.067 1.00 0.00 H new ATOM 0 HA TRP A 61 8.071 -5.836 5.266 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.050 -4.633 6.994 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.181 -3.580 5.895 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.085 -7.278 7.091 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.716 -8.221 6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 61 4.054 -3.224 4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.262 -7.297 5.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.668 -3.229 4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.264 -5.246 4.453 1.00 0.00 H new ATOM 952 N LEU A 62 6.216 -4.668 2.777 1.00 0.00 N ATOM 953 CA LEU A 62 5.513 -5.069 1.554 1.00 0.00 C ATOM 954 C LEU A 62 6.330 -6.077 0.740 1.00 0.00 C ATOM 955 O LEU A 62 5.788 -7.103 0.331 1.00 0.00 O ATOM 956 CB LEU A 62 5.124 -3.838 0.709 1.00 0.00 C ATOM 957 CG LEU A 62 3.723 -3.317 1.069 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.661 -1.794 1.205 1.00 0.00 C ATOM 959 CD2 LEU A 62 2.714 -3.762 0.001 1.00 0.00 C ATOM 0 H LEU A 62 6.318 -3.658 2.873 1.00 0.00 H new ATOM 0 HA LEU A 62 4.591 -5.570 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.857 -3.046 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.154 -4.099 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 62 3.476 -3.741 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.645 -1.493 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.343 -1.471 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.950 -1.332 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.722 -3.391 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.010 -3.361 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.692 -4.851 -0.048 1.00 0.00 H new ATOM 1101 N VAL A 72 3.481 -12.689 -6.080 1.00 0.00 N ATOM 1102 CA VAL A 72 3.701 -11.288 -6.413 1.00 0.00 C ATOM 1103 C VAL A 72 4.496 -11.216 -7.719 1.00 0.00 C ATOM 1104 O VAL A 72 5.718 -11.355 -7.702 1.00 0.00 O ATOM 1105 CB VAL A 72 4.455 -10.585 -5.264 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.628 -9.091 -5.569 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.745 -10.727 -3.909 1.00 0.00 C ATOM 0 HA VAL A 72 2.748 -10.777 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 72 5.425 -11.078 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.162 -8.612 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.197 -8.971 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.648 -8.627 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.322 -10.213 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.750 -10.286 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.659 -11.783 -3.652 1.00 0.00 H new ATOM 1117 N GLU A 73 3.812 -11.007 -8.850 1.00 0.00 N ATOM 1118 CA GLU A 73 4.477 -10.903 -10.146 1.00 0.00 C ATOM 1119 C GLU A 73 5.391 -9.673 -10.224 1.00 0.00 C ATOM 1120 O GLU A 73 6.557 -9.801 -10.596 1.00 0.00 O ATOM 1121 CB GLU A 73 3.457 -10.935 -11.296 1.00 0.00 C ATOM 1122 CG GLU A 73 3.946 -11.856 -12.424 1.00 0.00 C ATOM 1123 CD GLU A 73 3.003 -11.874 -13.624 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.817 -11.524 -13.436 1.00 0.00 O ATOM 1125 OE2 GLU A 73 3.488 -12.250 -14.712 1.00 0.00 O ATOM 0 H GLU A 73 2.798 -10.907 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 73 5.121 -11.776 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.493 -11.284 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.304 -9.927 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.934 -11.531 -12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.055 -12.870 -12.038 1.00 0.00 H new ATOM 1132 N ARG A 74 4.864 -8.488 -9.882 1.00 0.00 N ATOM 1133 CA ARG A 74 5.590 -7.220 -9.912 1.00 0.00 C ATOM 1134 C ARG A 74 4.772 -6.154 -9.170 1.00 0.00 C ATOM 1135 O ARG A 74 3.601 -6.386 -8.873 1.00 0.00 O ATOM 1136 CB ARG A 74 5.829 -6.784 -11.373 1.00 0.00 C ATOM 1137 CG ARG A 74 7.230 -6.196 -11.604 1.00 0.00 C ATOM 1138 CD ARG A 74 8.276 -7.285 -11.874 1.00 0.00 C ATOM 1139 NE ARG A 74 7.988 -7.988 -13.134 1.00 0.00 N ATOM 1140 CZ ARG A 74 8.508 -9.165 -13.520 1.00 0.00 C ATOM 1141 NH1 ARG A 74 9.375 -9.827 -12.741 1.00 0.00 N ATOM 1142 NH2 ARG A 74 8.155 -9.680 -14.706 1.00 0.00 N ATOM 0 H ARG A 74 3.898 -8.388 -9.570 1.00 0.00 H new ATOM 0 HA ARG A 74 6.557 -7.341 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.689 -7.642 -12.030 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.080 -6.043 -11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.199 -5.507 -12.448 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.528 -5.617 -10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.269 -6.838 -11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.286 -7.998 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 74 7.332 -7.540 -13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.650 -9.438 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.760 -10.720 -13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.498 -9.179 -15.304 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.543 -10.573 -15.010 1.00 0.00 H new ATOM 1156 N VAL A 75 5.372 -4.987 -8.889 1.00 0.00 N ATOM 1157 CA VAL A 75 4.694 -3.839 -8.283 1.00 0.00 C ATOM 1158 C VAL A 75 5.036 -2.569 -9.080 1.00 0.00 C ATOM 1159 O VAL A 75 6.218 -2.280 -9.256 1.00 0.00 O ATOM 1160 CB VAL A 75 5.106 -3.704 -6.803 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.284 -2.608 -6.108 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.893 -5.019 -6.036 1.00 0.00 C ATOM 0 H VAL A 75 6.359 -4.815 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 75 3.614 -3.986 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 75 6.165 -3.446 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.591 -2.529 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.452 -1.654 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.225 -2.861 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.194 -4.887 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.840 -5.297 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.494 -5.807 -6.490 1.00 0.00 H new ATOM 1172 N LEU A 76 4.028 -1.817 -9.552 1.00 0.00 N ATOM 1173 CA LEU A 76 4.206 -0.583 -10.322 1.00 0.00 C ATOM 1174 C LEU A 76 3.931 0.648 -9.455 1.00 0.00 C ATOM 1175 O LEU A 76 2.818 0.803 -8.951 1.00 0.00 O ATOM 1176 CB LEU A 76 3.271 -0.556 -11.548 1.00 0.00 C ATOM 1177 CG LEU A 76 3.993 0.015 -12.781 1.00 0.00 C ATOM 1178 CD1 LEU A 76 4.871 -1.048 -13.459 1.00 0.00 C ATOM 1179 CD2 LEU A 76 2.982 0.560 -13.793 1.00 0.00 C ATOM 0 H LEU A 76 3.048 -2.058 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 76 5.242 -0.560 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.919 -1.565 -11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.391 0.048 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 76 4.634 0.826 -12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.367 -0.611 -14.326 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.621 -1.404 -12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.249 -1.884 -13.779 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.512 0.959 -14.658 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.319 -0.243 -14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.395 1.353 -13.330 1.00 0.00 H new ATOM 1191 N SER A 77 4.930 1.530 -9.308 1.00 0.00 N ATOM 1192 CA SER A 77 4.822 2.767 -8.540 1.00 0.00 C ATOM 1193 C SER A 77 4.676 3.974 -9.475 1.00 0.00 C ATOM 1194 O SER A 77 5.414 4.074 -10.453 1.00 0.00 O ATOM 1195 CB SER A 77 6.073 2.964 -7.667 1.00 0.00 C ATOM 1196 OG SER A 77 6.803 1.766 -7.488 1.00 0.00 O ATOM 0 H SER A 77 5.849 1.396 -9.729 1.00 0.00 H new ATOM 0 HA SER A 77 3.938 2.691 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.718 3.713 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.775 3.353 -6.693 1.00 0.00 H new ATOM 0 HG SER A 77 7.588 1.942 -6.929 1.00 0.00 H new ATOM 1202 N GLU A 78 3.763 4.897 -9.146 1.00 0.00 N ATOM 1203 CA GLU A 78 3.513 6.131 -9.895 1.00 0.00 C ATOM 1204 C GLU A 78 3.248 7.291 -8.921 1.00 0.00 C ATOM 1205 O GLU A 78 2.771 7.050 -7.812 1.00 0.00 O ATOM 1206 CB GLU A 78 2.303 5.932 -10.823 1.00 0.00 C ATOM 1207 CG GLU A 78 2.657 5.216 -12.137 1.00 0.00 C ATOM 1208 CD GLU A 78 3.465 6.102 -13.081 1.00 0.00 C ATOM 1209 OE1 GLU A 78 2.845 7.020 -13.661 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.683 5.853 -13.205 1.00 0.00 O ATOM 0 H GLU A 78 3.162 4.801 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 78 4.389 6.373 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.541 5.356 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.866 6.904 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.226 4.313 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.740 4.901 -12.635 1.00 0.00 H new ATOM 1217 N PRO A 79 3.525 8.547 -9.320 1.00 0.00 N ATOM 1218 CA PRO A 79 3.299 9.726 -8.493 1.00 0.00 C ATOM 1219 C PRO A 79 1.802 10.022 -8.357 1.00 0.00 C ATOM 1220 O PRO A 79 1.062 9.949 -9.336 1.00 0.00 O ATOM 1221 CB PRO A 79 4.028 10.871 -9.204 1.00 0.00 C ATOM 1222 CG PRO A 79 3.980 10.455 -10.673 1.00 0.00 C ATOM 1223 CD PRO A 79 4.097 8.933 -10.603 1.00 0.00 C ATOM 0 HA PRO A 79 3.672 9.584 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.532 11.828 -9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.053 10.978 -8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.051 10.767 -11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.796 10.897 -11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.561 8.462 -11.427 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.138 8.617 -10.677 1.00 0.00 H new ATOM 1231 N HIS A 80 1.367 10.349 -7.134 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.028 10.564 -6.776 1.00 0.00 C ATOM 1233 C HIS A 80 -0.195 11.934 -6.102 1.00 0.00 C ATOM 1234 O HIS A 80 0.403 12.167 -5.056 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.439 9.422 -5.829 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.900 9.067 -5.882 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.506 8.560 -7.019 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.847 9.136 -4.892 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.790 8.341 -6.694 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.040 8.681 -5.420 1.00 0.00 N ATOM 0 H HIS A 80 2.002 10.474 -6.346 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.665 10.561 -7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.147 8.536 -6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.183 9.703 -4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.689 9.483 -3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.529 7.941 -7.373 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.936 8.616 -4.936 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.989 12.852 -6.675 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.237 14.161 -6.062 1.00 0.00 C ATOM 1251 C HIS A 81 -2.734 14.385 -5.799 1.00 0.00 C ATOM 1252 O HIS A 81 -3.356 15.192 -6.489 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.630 15.265 -6.944 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.410 16.582 -6.235 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.331 17.612 -6.795 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.789 16.983 -4.977 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.392 18.585 -5.871 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.274 18.244 -4.757 1.00 0.00 N ATOM 0 H HIS A 81 -1.470 12.709 -7.563 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.749 14.195 -5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.324 14.915 -7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.286 15.432 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.386 16.411 -4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.911 19.522 -6.007 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.379 18.807 -3.913 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.332 13.704 -4.807 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.737 13.868 -4.468 1.00 0.00 C ATOM 1269 C PRO A 82 -4.972 15.249 -3.851 1.00 0.00 C ATOM 1270 O PRO A 82 -4.142 15.743 -3.087 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.057 12.733 -3.490 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.715 12.468 -2.812 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.706 12.732 -3.931 1.00 0.00 C ATOM 0 HA PRO A 82 -5.388 13.816 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.821 13.025 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.428 11.848 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.555 13.129 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.646 11.446 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.768 13.115 -3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.471 11.814 -4.470 1.00 0.00 H new ATOM 1281 N SER A 83 -6.095 15.883 -4.213 1.00 0.00 N ATOM 1282 CA SER A 83 -6.438 17.228 -3.776 1.00 0.00 C ATOM 1283 C SER A 83 -6.919 17.220 -2.324 1.00 0.00 C ATOM 1284 O SER A 83 -7.588 16.282 -1.891 1.00 0.00 O ATOM 1285 CB SER A 83 -7.484 17.834 -4.719 1.00 0.00 C ATOM 1286 OG SER A 83 -8.669 17.065 -4.734 1.00 0.00 O ATOM 0 H SER A 83 -6.795 15.464 -4.826 1.00 0.00 H new ATOM 0 HA SER A 83 -5.546 17.854 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.713 18.852 -4.405 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.075 17.896 -5.728 1.00 0.00 H new ATOM 0 HG SER A 83 -9.318 17.476 -5.342 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.556 18.265 -1.572 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.850 18.372 -0.152 1.00 0.00 C ATOM 1294 C GLY A 84 -5.952 17.452 0.674 1.00 0.00 C ATOM 1295 O GLY A 84 -5.105 16.738 0.138 1.00 0.00 O ATOM 0 H GLY A 84 -6.044 19.065 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.714 19.404 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.895 18.118 0.025 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.154 17.484 1.994 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.405 16.702 2.963 1.00 0.00 C ATOM 1301 C GLU A 85 -6.274 15.531 3.426 1.00 0.00 C ATOM 1302 O GLU A 85 -7.403 15.730 3.872 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.994 17.588 4.147 1.00 0.00 C ATOM 1304 CG GLU A 85 -3.791 18.494 3.834 1.00 0.00 C ATOM 1305 CD GLU A 85 -4.013 19.457 2.669 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -5.015 20.203 2.724 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -3.168 19.436 1.745 1.00 0.00 O ATOM 0 H GLU A 85 -6.866 18.075 2.424 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.495 16.311 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.841 18.208 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.752 16.954 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.545 19.071 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.927 17.867 3.612 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.730 14.313 3.327 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.353 13.096 3.836 1.00 0.00 C ATOM 1316 C LEU A 86 -6.311 13.093 5.366 1.00 0.00 C ATOM 1317 O LEU A 86 -5.403 13.664 5.967 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.616 11.864 3.279 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.348 11.158 2.127 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.713 12.112 0.980 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.465 10.038 1.573 1.00 0.00 C ATOM 0 H LEU A 86 -4.827 14.147 2.882 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.394 13.060 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.629 12.171 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.462 11.150 4.088 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.277 10.761 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.228 11.557 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.366 12.900 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.805 12.557 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.983 9.537 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.530 10.460 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.252 9.318 2.363 1.00 0.00 H new ATOM 1333 N THR A 87 -7.289 12.421 5.985 1.00 0.00 N ATOM 1334 CA THR A 87 -7.340 12.205 7.417 1.00 0.00 C ATOM 1335 C THR A 87 -6.383 11.069 7.776 1.00 0.00 C ATOM 1336 O THR A 87 -5.277 11.322 8.249 1.00 0.00 O ATOM 1337 CB THR A 87 -8.789 11.897 7.834 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.387 10.982 6.932 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.633 13.173 7.885 1.00 0.00 C ATOM 0 H THR A 87 -8.077 12.008 5.486 1.00 0.00 H new ATOM 0 HA THR A 87 -7.025 13.097 7.959 1.00 0.00 H new ATOM 0 HB THR A 87 -8.753 11.455 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.307 10.798 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.652 12.924 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.203 13.865 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.647 13.640 6.900 1.00 0.00 H new ATOM 1347 N ASP A 88 -6.826 9.824 7.560 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.169 8.624 8.062 1.00 0.00 C ATOM 1349 C ASP A 88 -6.216 7.498 7.033 1.00 0.00 C ATOM 1350 O ASP A 88 -7.004 7.534 6.087 1.00 0.00 O ATOM 1351 CB ASP A 88 -6.855 8.175 9.359 1.00 0.00 C ATOM 1352 CG ASP A 88 -6.676 9.195 10.480 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -5.621 9.123 11.147 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -7.594 10.025 10.646 1.00 0.00 O ATOM 0 H ASP A 88 -7.668 9.625 7.020 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.122 8.857 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.918 8.022 9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.445 7.215 9.673 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.371 6.486 7.251 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.329 5.278 6.446 1.00 0.00 C ATOM 1361 C PHE A 89 -6.514 4.379 6.791 1.00 0.00 C ATOM 1362 O PHE A 89 -6.976 4.370 7.932 1.00 0.00 O ATOM 1363 CB PHE A 89 -3.989 4.564 6.641 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.894 3.203 5.985 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.521 3.086 4.633 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.259 2.056 6.712 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.515 1.827 4.010 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.296 0.806 6.076 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.917 0.689 4.729 1.00 0.00 C ATOM 0 H PHE A 89 -4.687 6.491 8.008 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.411 5.538 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.195 5.198 6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.806 4.450 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.239 3.966 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.511 2.137 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.202 1.734 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.617 -0.068 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.935 -0.277 4.245 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.005 3.625 5.801 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.144 2.734 5.971 1.00 0.00 C ATOM 1381 C ARG A 90 -8.018 1.536 5.026 1.00 0.00 C ATOM 1382 O ARG A 90 -6.978 1.344 4.400 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.443 3.534 5.788 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.598 4.061 4.356 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.761 5.047 4.249 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.446 6.323 4.906 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.262 7.389 4.924 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.472 7.328 4.349 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -10.865 8.525 5.515 1.00 0.00 N ATOM 0 H ARG A 90 -6.617 3.620 4.858 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.167 2.320 6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.296 2.902 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.454 4.372 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.675 4.549 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.763 3.226 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.994 5.225 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.651 4.612 4.704 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.547 6.404 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.778 6.468 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.087 8.142 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.944 8.579 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.484 9.336 5.529 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.064 0.708 4.951 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.060 -0.539 4.198 1.00 0.00 C ATOM 1405 C ILE A 91 -10.284 -0.623 3.288 1.00 0.00 C ATOM 1406 O ILE A 91 -11.153 0.248 3.325 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.921 -1.736 5.162 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -9.953 -1.795 6.305 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.522 -1.711 5.791 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -11.371 -2.137 5.842 1.00 0.00 C ATOM 0 H ILE A 91 -9.950 0.893 5.422 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.194 -0.570 3.536 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.099 -2.617 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.630 -2.538 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.970 -0.832 6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.415 -2.554 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.769 -1.782 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.387 -0.779 6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -12.039 -2.160 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.715 -1.382 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.370 -3.113 5.358 1.00 0.00 H new