USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.655 K(o=0.66,f=-0.21) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -93:sc= 0.178 USER MOD Single : A 23 THR OG1 : rot -111:sc= 0.215 USER MOD Single : A 24 GLN : amide:sc= -0.455 K(o=-0.45,f=-1.3!) 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= -0.0568 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0186) USER MOD Single : A 38 ASN : amide:sc= -0.693 K(o=-0.69,f=-4.7!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 54 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.35) 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 X(o=0,f=-0.12) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.58) USER MOD Single : A 81 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.574 19.777 0.574 1.00 0.00 N ATOM 21 CA SER A 2 6.386 18.759 1.232 1.00 0.00 C ATOM 22 C SER A 2 5.818 17.357 0.951 1.00 0.00 C ATOM 23 O SER A 2 6.551 16.462 0.534 1.00 0.00 O ATOM 24 CB SER A 2 6.448 19.075 2.733 1.00 0.00 C ATOM 25 OG SER A 2 7.252 18.137 3.417 1.00 0.00 O ATOM 0 HA SER A 2 7.402 18.768 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.849 20.078 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.441 19.069 3.151 1.00 0.00 H new ATOM 0 HG SER A 2 7.277 18.361 4.371 1.00 0.00 H new ATOM 31 N LYS A 3 4.513 17.175 1.196 1.00 0.00 N ATOM 32 CA LYS A 3 3.782 15.914 1.061 1.00 0.00 C ATOM 33 C LYS A 3 3.794 15.366 -0.374 1.00 0.00 C ATOM 34 O LYS A 3 3.414 16.072 -1.307 1.00 0.00 O ATOM 35 CB LYS A 3 2.325 16.133 1.505 1.00 0.00 C ATOM 36 CG LYS A 3 1.995 15.590 2.899 1.00 0.00 C ATOM 37 CD LYS A 3 2.868 16.157 4.024 1.00 0.00 C ATOM 38 CE LYS A 3 2.358 15.618 5.368 1.00 0.00 C ATOM 39 NZ LYS A 3 3.184 16.079 6.497 1.00 0.00 N ATOM 0 H LYS A 3 3.914 17.939 1.508 1.00 0.00 H new ATOM 0 HA LYS A 3 4.282 15.178 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.110 17.201 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.663 15.661 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.950 15.807 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.099 14.505 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.909 15.871 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.832 17.246 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.327 15.938 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.354 14.528 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.805 15.692 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.163 15.753 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.168 17.118 6.537 1.00 0.00 H new ATOM 53 N VAL A 4 4.197 14.096 -0.519 1.00 0.00 N ATOM 54 CA VAL A 4 4.394 13.409 -1.788 1.00 0.00 C ATOM 55 C VAL A 4 3.709 12.047 -1.713 1.00 0.00 C ATOM 56 O VAL A 4 4.310 11.064 -1.283 1.00 0.00 O ATOM 57 CB VAL A 4 5.902 13.317 -2.123 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.821 12.860 -0.981 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.145 12.435 -3.360 1.00 0.00 C ATOM 0 H VAL A 4 4.401 13.500 0.283 1.00 0.00 H new ATOM 0 HA VAL A 4 3.940 13.967 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 4 6.180 14.352 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.852 12.833 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.740 13.557 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.524 11.864 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.214 12.390 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.770 11.430 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.624 12.860 -4.218 1.00 0.00 H new ATOM 69 N CYS A 5 2.437 11.993 -2.113 1.00 0.00 N ATOM 70 CA CYS A 5 1.702 10.733 -2.140 1.00 0.00 C ATOM 71 C CYS A 5 2.023 9.939 -3.412 1.00 0.00 C ATOM 72 O CYS A 5 2.396 10.521 -4.429 1.00 0.00 O ATOM 73 CB CYS A 5 0.188 10.940 -1.950 1.00 0.00 C ATOM 74 SG CYS A 5 -0.371 12.245 -0.816 1.00 0.00 S ATOM 0 H CYS A 5 1.900 12.804 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 5 2.036 10.139 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.245 11.144 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.235 9.997 -1.605 1.00 0.00 H new ATOM 79 N ILE A 6 1.897 8.605 -3.345 1.00 0.00 N ATOM 80 CA ILE A 6 2.245 7.709 -4.448 1.00 0.00 C ATOM 81 C ILE A 6 1.258 6.545 -4.478 1.00 0.00 C ATOM 82 O ILE A 6 0.750 6.145 -3.429 1.00 0.00 O ATOM 83 CB ILE A 6 3.694 7.179 -4.354 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.113 6.661 -2.968 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.715 8.196 -4.894 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.502 7.758 -1.968 1.00 0.00 C ATOM 0 H ILE A 6 1.549 8.119 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 6 2.183 8.283 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 6 3.696 6.300 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.292 6.079 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.957 5.981 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.720 7.783 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.498 8.409 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.651 9.118 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.783 7.302 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.345 8.326 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.655 8.426 -1.813 1.00 0.00 H new ATOM 98 N ILE A 7 1.002 6.009 -5.676 1.00 0.00 N ATOM 99 CA ILE A 7 0.110 4.871 -5.890 1.00 0.00 C ATOM 100 C ILE A 7 0.898 3.665 -6.411 1.00 0.00 C ATOM 101 O ILE A 7 1.606 3.779 -7.409 1.00 0.00 O ATOM 102 CB ILE A 7 -1.075 5.271 -6.789 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.033 4.081 -6.965 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.657 5.825 -8.158 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.473 4.546 -7.198 1.00 0.00 C ATOM 0 H ILE A 7 1.418 6.362 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.325 4.564 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.583 6.087 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.706 3.472 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.994 3.447 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.546 6.084 -8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.043 6.715 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.084 5.070 -8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.121 3.678 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.808 5.134 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.516 5.158 -8.099 1.00 0.00 H new ATOM 117 N ALA A 8 0.784 2.527 -5.710 1.00 0.00 N ATOM 118 CA ALA A 8 1.511 1.290 -5.963 1.00 0.00 C ATOM 119 C ALA A 8 0.534 0.151 -6.279 1.00 0.00 C ATOM 120 O ALA A 8 -0.172 -0.325 -5.392 1.00 0.00 O ATOM 121 CB ALA A 8 2.374 0.953 -4.743 1.00 0.00 C ATOM 0 H ALA A 8 0.150 2.448 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 8 2.160 1.419 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.920 0.028 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.082 1.762 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.735 0.829 -3.869 1.00 0.00 H new ATOM 127 N TRP A 9 0.513 -0.292 -7.541 1.00 0.00 N ATOM 128 CA TRP A 9 -0.308 -1.387 -8.043 1.00 0.00 C ATOM 129 C TRP A 9 0.456 -2.705 -7.968 1.00 0.00 C ATOM 130 O TRP A 9 1.457 -2.862 -8.663 1.00 0.00 O ATOM 131 CB TRP A 9 -0.668 -1.108 -9.504 1.00 0.00 C ATOM 132 CG TRP A 9 -1.632 0.013 -9.696 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.947 -0.053 -9.412 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.407 1.350 -10.223 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.552 1.155 -9.677 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.646 2.058 -10.191 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.290 2.028 -10.749 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.764 3.383 -10.637 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.417 3.331 -11.259 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.641 4.019 -11.187 1.00 0.00 C ATOM 0 H TRP A 9 1.095 0.124 -8.268 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.208 -1.462 -7.433 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.246 -0.884 -10.055 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.090 -2.013 -9.941 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.454 -0.927 -9.031 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.539 1.355 -9.515 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.674 1.541 -10.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.706 3.906 -10.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.438 3.811 -11.713 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.716 5.032 -11.553 1.00 0.00 H new ATOM 151 N VAL A 10 -0.034 -3.653 -7.162 1.00 0.00 N ATOM 152 CA VAL A 10 0.593 -4.952 -6.955 1.00 0.00 C ATOM 153 C VAL A 10 -0.147 -6.006 -7.786 1.00 0.00 C ATOM 154 O VAL A 10 -1.347 -6.205 -7.607 1.00 0.00 O ATOM 155 CB VAL A 10 0.602 -5.328 -5.460 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.662 -6.414 -5.227 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.922 -4.155 -4.521 1.00 0.00 C ATOM 0 H VAL A 10 -0.894 -3.531 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 10 1.632 -4.906 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.407 -5.667 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.677 -6.688 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.421 -7.292 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.642 -6.034 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.909 -4.502 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.909 -3.758 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.175 -3.371 -4.650 1.00 0.00 H new ATOM 167 N TYR A 11 0.580 -6.684 -8.682 1.00 0.00 N ATOM 168 CA TYR A 11 0.086 -7.773 -9.522 1.00 0.00 C ATOM 169 C TYR A 11 0.296 -9.125 -8.840 1.00 0.00 C ATOM 170 O TYR A 11 0.935 -9.214 -7.792 1.00 0.00 O ATOM 171 CB TYR A 11 0.774 -7.754 -10.895 1.00 0.00 C ATOM 172 CG TYR A 11 0.465 -6.541 -11.749 1.00 0.00 C ATOM 173 CD1 TYR A 11 1.103 -5.313 -11.497 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.420 -6.659 -12.838 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.858 -4.209 -12.331 1.00 0.00 C ATOM 176 CE2 TYR A 11 -0.636 -5.565 -13.693 1.00 0.00 C ATOM 177 CZ TYR A 11 0.004 -4.339 -13.439 1.00 0.00 C ATOM 178 OH TYR A 11 -0.196 -3.276 -14.270 1.00 0.00 O ATOM 0 H TYR A 11 1.566 -6.479 -8.845 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.984 -7.626 -9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.852 -7.809 -10.745 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.482 -8.650 -11.443 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.782 -5.219 -10.662 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.934 -7.592 -13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.327 -3.259 -12.120 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.293 -5.666 -14.544 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.813 -3.533 -14.987 1.00 0.00 H new ATOM 188 N GLY A 12 -0.245 -10.185 -9.452 1.00 0.00 N ATOM 189 CA GLY A 12 -0.154 -11.534 -8.934 1.00 0.00 C ATOM 190 C GLY A 12 -1.172 -11.778 -7.827 1.00 0.00 C ATOM 191 O GLY A 12 -2.102 -10.998 -7.637 1.00 0.00 O ATOM 0 H GLY A 12 -0.761 -10.118 -10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.316 -12.247 -9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.851 -11.710 -8.551 1.00 0.00 H new ATOM 195 N ARG A 13 -0.991 -12.887 -7.107 1.00 0.00 N ATOM 196 CA ARG A 13 -1.944 -13.358 -6.116 1.00 0.00 C ATOM 197 C ARG A 13 -1.741 -12.669 -4.775 1.00 0.00 C ATOM 198 O ARG A 13 -1.040 -13.182 -3.907 1.00 0.00 O ATOM 199 CB ARG A 13 -1.844 -14.870 -5.951 1.00 0.00 C ATOM 200 CG ARG A 13 -2.013 -15.565 -7.302 1.00 0.00 C ATOM 201 CD ARG A 13 -2.372 -17.040 -7.098 1.00 0.00 C ATOM 202 NE ARG A 13 -2.931 -17.620 -8.325 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.141 -17.317 -8.828 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.958 -16.466 -8.190 1.00 0.00 N ATOM 205 NH2 ARG A 13 -4.534 -17.867 -9.983 1.00 0.00 N ATOM 0 H ARG A 13 -0.170 -13.484 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.942 -13.107 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.879 -15.132 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.609 -15.218 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.794 -15.070 -7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.091 -15.484 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.483 -17.596 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.093 -17.134 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.363 -18.299 -8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.664 -16.039 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.873 -16.246 -8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.917 -18.512 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.450 -17.641 -10.370 1.00 0.00 H new ATOM 219 N VAL A 14 -2.366 -11.504 -4.628 1.00 0.00 N ATOM 220 CA VAL A 14 -2.200 -10.636 -3.470 1.00 0.00 C ATOM 221 C VAL A 14 -3.532 -10.476 -2.730 1.00 0.00 C ATOM 222 O VAL A 14 -3.553 -10.488 -1.502 1.00 0.00 O ATOM 223 CB VAL A 14 -1.608 -9.289 -3.911 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.180 -8.472 -2.684 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.363 -9.488 -4.786 1.00 0.00 C ATOM 0 H VAL A 14 -3.013 -11.132 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.499 -11.088 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.381 -8.769 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.762 -7.519 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.046 -8.290 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.428 -9.026 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.033 -8.516 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.395 -10.032 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.631 -10.057 -5.676 1.00 0.00 H new ATOM 235 N GLN A 15 -4.648 -10.334 -3.459 1.00 0.00 N ATOM 236 CA GLN A 15 -5.968 -10.284 -2.843 1.00 0.00 C ATOM 237 C GLN A 15 -6.383 -11.677 -2.363 1.00 0.00 C ATOM 238 O GLN A 15 -5.983 -12.682 -2.949 1.00 0.00 O ATOM 239 CB GLN A 15 -6.998 -9.656 -3.791 1.00 0.00 C ATOM 240 CG GLN A 15 -7.306 -10.455 -5.057 1.00 0.00 C ATOM 241 CD GLN A 15 -8.361 -9.717 -5.876 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.450 -10.236 -6.105 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.058 -8.486 -6.288 1.00 0.00 N ATOM 0 H GLN A 15 -4.656 -10.252 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.924 -9.638 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.928 -9.508 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.640 -8.669 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.399 -10.588 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.664 -11.450 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.142 -8.089 -6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.742 -7.941 -6.813 1.00 0.00 H new ATOM 252 N GLY A 16 -7.179 -11.727 -1.288 1.00 0.00 N ATOM 253 CA GLY A 16 -7.748 -12.953 -0.751 1.00 0.00 C ATOM 254 C GLY A 16 -7.001 -13.448 0.487 1.00 0.00 C ATOM 255 O GLY A 16 -7.639 -13.833 1.466 1.00 0.00 O ATOM 0 H GLY A 16 -7.446 -10.895 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.795 -12.784 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.727 -13.727 -1.518 1.00 0.00 H new ATOM 259 N VAL A 17 -5.661 -13.418 0.469 1.00 0.00 N ATOM 260 CA VAL A 17 -4.842 -13.817 1.616 1.00 0.00 C ATOM 261 C VAL A 17 -4.958 -12.813 2.778 1.00 0.00 C ATOM 262 O VAL A 17 -4.448 -13.070 3.867 1.00 0.00 O ATOM 263 CB VAL A 17 -3.383 -14.045 1.167 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.629 -12.732 0.936 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.588 -14.910 2.154 1.00 0.00 C ATOM 0 H VAL A 17 -5.118 -13.117 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.220 -14.762 2.005 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.462 -14.579 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.608 -12.949 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.132 -12.155 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.609 -12.156 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.569 -15.037 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.565 -14.422 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.064 -15.886 2.248 1.00 0.00 H new ATOM 275 N GLY A 18 -5.617 -11.668 2.556 1.00 0.00 N ATOM 276 CA GLY A 18 -5.742 -10.606 3.532 1.00 0.00 C ATOM 277 C GLY A 18 -4.405 -9.901 3.720 1.00 0.00 C ATOM 278 O GLY A 18 -3.986 -9.673 4.852 1.00 0.00 O ATOM 0 H GLY A 18 -6.083 -11.461 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.496 -9.890 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.082 -11.015 4.483 1.00 0.00 H new ATOM 282 N PHE A 19 -3.744 -9.556 2.604 1.00 0.00 N ATOM 283 CA PHE A 19 -2.452 -8.879 2.597 1.00 0.00 C ATOM 284 C PHE A 19 -2.477 -7.644 3.499 1.00 0.00 C ATOM 285 O PHE A 19 -1.532 -7.399 4.239 1.00 0.00 O ATOM 286 CB PHE A 19 -2.074 -8.502 1.157 1.00 0.00 C ATOM 287 CG PHE A 19 -0.579 -8.428 0.918 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.130 -7.246 1.199 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.114 -9.562 0.454 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.529 -7.216 1.065 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.504 -9.507 0.254 1.00 0.00 C ATOM 292 CZ PHE A 19 2.216 -8.342 0.584 1.00 0.00 C ATOM 0 H PHE A 19 -4.104 -9.746 1.669 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.696 -9.557 2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.506 -9.233 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.520 -7.537 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.401 -6.361 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.424 -10.476 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.077 -6.325 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.025 -10.361 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.289 -8.312 0.468 1.00 0.00 H new ATOM 302 N ARG A 20 -3.585 -6.896 3.451 1.00 0.00 N ATOM 303 CA ARG A 20 -3.858 -5.697 4.232 1.00 0.00 C ATOM 304 C ARG A 20 -4.103 -5.991 5.723 1.00 0.00 C ATOM 305 O ARG A 20 -5.123 -5.581 6.275 1.00 0.00 O ATOM 306 CB ARG A 20 -5.070 -4.989 3.605 1.00 0.00 C ATOM 307 CG ARG A 20 -6.291 -5.923 3.508 1.00 0.00 C ATOM 308 CD ARG A 20 -7.575 -5.136 3.768 1.00 0.00 C ATOM 309 NE ARG A 20 -8.757 -6.002 3.844 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.436 -6.489 2.794 1.00 0.00 C ATOM 311 NH1 ARG A 20 -8.992 -6.295 1.543 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.569 -7.172 3.007 1.00 0.00 N ATOM 0 H ARG A 20 -4.357 -7.130 2.827 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.977 -5.056 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.328 -4.114 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.807 -4.630 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.330 -6.382 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.198 -6.732 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.475 -4.580 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.716 -4.403 2.974 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.091 -6.255 4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.130 -5.773 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.516 -6.670 0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.906 -7.317 3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.094 -7.547 2.217 1.00 0.00 H new ATOM 326 N TYR A 21 -3.160 -6.671 6.383 1.00 0.00 N ATOM 327 CA TYR A 21 -3.239 -7.028 7.790 1.00 0.00 C ATOM 328 C TYR A 21 -2.334 -6.097 8.594 1.00 0.00 C ATOM 329 O TYR A 21 -2.822 -5.253 9.346 1.00 0.00 O ATOM 330 CB TYR A 21 -2.867 -8.508 7.959 1.00 0.00 C ATOM 331 CG TYR A 21 -3.315 -9.113 9.272 1.00 0.00 C ATOM 332 CD1 TYR A 21 -4.673 -9.435 9.456 1.00 0.00 C ATOM 333 CD2 TYR A 21 -2.384 -9.396 10.289 1.00 0.00 C ATOM 334 CE1 TYR A 21 -5.101 -10.034 10.652 1.00 0.00 C ATOM 335 CE2 TYR A 21 -2.812 -10.002 11.483 1.00 0.00 C ATOM 336 CZ TYR A 21 -4.169 -10.322 11.664 1.00 0.00 C ATOM 337 OH TYR A 21 -4.581 -10.916 12.822 1.00 0.00 O ATOM 0 H TYR A 21 -2.302 -6.993 5.936 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.254 -6.904 8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.307 -9.078 7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.785 -8.611 7.874 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.388 -9.221 8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.342 -9.148 10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.145 -10.273 10.794 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.097 -10.222 12.262 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.811 -11.046 13.415 1.00 0.00 H new ATOM 347 N THR A 22 -1.015 -6.239 8.416 1.00 0.00 N ATOM 348 CA THR A 22 -0.029 -5.446 9.135 1.00 0.00 C ATOM 349 C THR A 22 0.034 -3.999 8.634 1.00 0.00 C ATOM 350 O THR A 22 0.471 -3.127 9.382 1.00 0.00 O ATOM 351 CB THR A 22 1.341 -6.137 9.136 1.00 0.00 C ATOM 352 OG1 THR A 22 2.165 -5.499 10.088 1.00 0.00 O ATOM 353 CG2 THR A 22 2.017 -6.119 7.764 1.00 0.00 C ATOM 0 H THR A 22 -0.607 -6.911 7.766 1.00 0.00 H new ATOM 0 HA THR A 22 -0.354 -5.381 10.174 1.00 0.00 H new ATOM 0 HB THR A 22 1.189 -7.186 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.691 -4.799 9.648 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.982 -6.622 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.386 -6.635 7.041 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.166 -5.087 7.445 1.00 0.00 H new ATOM 361 N THR A 23 -0.416 -3.744 7.395 1.00 0.00 N ATOM 362 CA THR A 23 -0.490 -2.415 6.791 1.00 0.00 C ATOM 363 C THR A 23 -0.991 -1.345 7.778 1.00 0.00 C ATOM 364 O THR A 23 -0.451 -0.243 7.807 1.00 0.00 O ATOM 365 CB THR A 23 -1.334 -2.477 5.502 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.134 -1.312 4.729 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.834 -2.654 5.752 1.00 0.00 C ATOM 0 H THR A 23 -0.746 -4.481 6.773 1.00 0.00 H new ATOM 0 HA THR A 23 0.519 -2.103 6.523 1.00 0.00 H new ATOM 0 HB THR A 23 -0.990 -3.363 4.968 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.952 -0.772 4.733 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.360 -2.689 4.798 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.005 -3.584 6.295 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.206 -1.816 6.341 1.00 0.00 H new ATOM 375 N GLN A 24 -1.989 -1.689 8.610 1.00 0.00 N ATOM 376 CA GLN A 24 -2.559 -0.823 9.636 1.00 0.00 C ATOM 377 C GLN A 24 -1.520 -0.499 10.714 1.00 0.00 C ATOM 378 O GLN A 24 -1.208 0.670 10.938 1.00 0.00 O ATOM 379 CB GLN A 24 -3.783 -1.505 10.265 1.00 0.00 C ATOM 380 CG GLN A 24 -4.928 -1.699 9.256 1.00 0.00 C ATOM 381 CD GLN A 24 -6.079 -0.713 9.395 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.338 -0.159 10.460 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.808 -0.530 8.298 1.00 0.00 N ATOM 0 H GLN A 24 -2.430 -2.608 8.579 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.867 0.114 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.489 -2.474 10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.139 -0.906 11.103 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.521 -1.620 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.320 -2.710 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.558 -1.010 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.617 0.090 8.321 1.00 0.00 H new ATOM 392 N TYR A 25 -1.006 -1.530 11.400 1.00 0.00 N ATOM 393 CA TYR A 25 -0.020 -1.384 12.465 1.00 0.00 C ATOM 394 C TYR A 25 1.161 -0.533 12.005 1.00 0.00 C ATOM 395 O TYR A 25 1.460 0.489 12.617 1.00 0.00 O ATOM 396 CB TYR A 25 0.472 -2.765 12.917 1.00 0.00 C ATOM 397 CG TYR A 25 -0.538 -3.549 13.730 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.686 -3.280 15.103 1.00 0.00 C ATOM 399 CD2 TYR A 25 -1.293 -4.577 13.136 1.00 0.00 C ATOM 400 CE1 TYR A 25 -1.551 -4.063 15.886 1.00 0.00 C ATOM 401 CE2 TYR A 25 -2.141 -5.374 13.921 1.00 0.00 C ATOM 402 CZ TYR A 25 -2.265 -5.121 15.299 1.00 0.00 C ATOM 403 OH TYR A 25 -3.076 -5.903 16.069 1.00 0.00 O ATOM 0 H TYR A 25 -1.271 -2.499 11.224 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.497 -0.879 13.305 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.744 -3.347 12.037 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.379 -2.639 13.508 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.134 -2.470 15.556 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.220 -4.753 12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.667 -3.852 16.939 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.698 -6.181 13.467 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.497 -6.588 15.509 1.00 0.00 H new ATOM 413 N GLU A 26 1.814 -0.959 10.918 1.00 0.00 N ATOM 414 CA GLU A 26 2.954 -0.267 10.341 1.00 0.00 C ATOM 415 C GLU A 26 2.605 1.192 10.056 1.00 0.00 C ATOM 416 O GLU A 26 3.335 2.087 10.474 1.00 0.00 O ATOM 417 CB GLU A 26 3.398 -1.001 9.066 1.00 0.00 C ATOM 418 CG GLU A 26 4.826 -1.547 9.194 1.00 0.00 C ATOM 419 CD GLU A 26 4.983 -2.494 10.383 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.174 -3.442 10.469 1.00 0.00 O ATOM 421 OE2 GLU A 26 5.900 -2.242 11.196 1.00 0.00 O ATOM 0 H GLU A 26 1.556 -1.807 10.413 1.00 0.00 H new ATOM 0 HA GLU A 26 3.782 -0.269 11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.711 -1.822 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.343 -0.320 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.095 -2.072 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.522 -0.715 9.301 1.00 0.00 H new ATOM 428 N ALA A 27 1.476 1.424 9.373 1.00 0.00 N ATOM 429 CA ALA A 27 1.003 2.765 9.054 1.00 0.00 C ATOM 430 C ALA A 27 0.937 3.661 10.291 1.00 0.00 C ATOM 431 O ALA A 27 1.188 4.858 10.187 1.00 0.00 O ATOM 432 CB ALA A 27 -0.367 2.708 8.370 1.00 0.00 C ATOM 0 H ALA A 27 0.868 0.681 9.028 1.00 0.00 H new ATOM 0 HA ALA A 27 1.727 3.204 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.702 3.720 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.289 2.133 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.086 2.230 9.035 1.00 0.00 H new ATOM 438 N LYS A 28 0.613 3.082 11.454 1.00 0.00 N ATOM 439 CA LYS A 28 0.521 3.807 12.714 1.00 0.00 C ATOM 440 C LYS A 28 1.895 4.301 13.191 1.00 0.00 C ATOM 441 O LYS A 28 1.980 5.371 13.791 1.00 0.00 O ATOM 442 CB LYS A 28 -0.182 2.931 13.765 1.00 0.00 C ATOM 443 CG LYS A 28 -0.811 3.791 14.866 1.00 0.00 C ATOM 444 CD LYS A 28 -1.651 2.960 15.850 1.00 0.00 C ATOM 445 CE LYS A 28 -3.157 3.094 15.578 1.00 0.00 C ATOM 446 NZ LYS A 28 -3.959 2.617 16.720 1.00 0.00 N ATOM 0 H LYS A 28 0.407 2.087 11.541 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.080 4.703 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.953 2.329 13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.536 2.239 14.205 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.024 4.310 15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.440 4.556 14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.362 1.912 15.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.437 3.280 16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.399 4.137 15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.418 2.525 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.970 2.722 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.746 1.615 16.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.727 3.177 17.565 1.00 0.00 H new ATOM 460 N ARG A 29 2.967 3.545 12.916 1.00 0.00 N ATOM 461 CA ARG A 29 4.335 3.925 13.248 1.00 0.00 C ATOM 462 C ARG A 29 4.785 5.152 12.447 1.00 0.00 C ATOM 463 O ARG A 29 5.436 6.036 13.001 1.00 0.00 O ATOM 464 CB ARG A 29 5.296 2.748 13.008 1.00 0.00 C ATOM 465 CG ARG A 29 4.889 1.438 13.696 1.00 0.00 C ATOM 466 CD ARG A 29 4.765 1.604 15.215 1.00 0.00 C ATOM 467 NE ARG A 29 5.333 0.457 15.939 1.00 0.00 N ATOM 468 CZ ARG A 29 6.649 0.209 16.065 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.555 1.019 15.497 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.063 -0.858 16.760 1.00 0.00 N ATOM 0 H ARG A 29 2.900 2.640 12.450 1.00 0.00 H new ATOM 0 HA ARG A 29 4.358 4.188 14.306 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.371 2.571 11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.290 3.031 13.355 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.938 1.095 13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.627 0.667 13.474 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.275 2.517 15.523 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.715 1.719 15.483 1.00 0.00 H new ATOM 0 HE ARG A 29 4.683 -0.196 16.376 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.248 1.832 14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.551 0.822 15.599 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.381 -1.481 17.193 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.060 -1.048 16.857 1.00 0.00 H new ATOM 484 N LEU A 30 4.448 5.206 11.152 1.00 0.00 N ATOM 485 CA LEU A 30 4.806 6.318 10.276 1.00 0.00 C ATOM 486 C LEU A 30 3.838 7.494 10.427 1.00 0.00 C ATOM 487 O LEU A 30 4.238 8.642 10.235 1.00 0.00 O ATOM 488 CB LEU A 30 4.852 5.849 8.816 1.00 0.00 C ATOM 489 CG LEU A 30 6.018 4.919 8.436 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.377 5.505 8.835 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.892 3.493 8.969 1.00 0.00 C ATOM 0 H LEU A 30 3.916 4.472 10.684 1.00 0.00 H new ATOM 0 HA LEU A 30 5.795 6.667 10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.917 5.335 8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.893 6.729 8.175 1.00 0.00 H new ATOM 0 HG LEU A 30 5.959 4.852 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.170 4.814 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.525 6.459 8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.404 5.659 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.756 2.909 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.846 3.514 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.983 3.037 8.577 1.00 0.00 H new ATOM 503 N GLY A 31 2.569 7.218 10.746 1.00 0.00 N ATOM 504 CA GLY A 31 1.522 8.221 10.868 1.00 0.00 C ATOM 505 C GLY A 31 1.039 8.739 9.513 1.00 0.00 C ATOM 506 O GLY A 31 0.466 9.824 9.440 1.00 0.00 O ATOM 0 H GLY A 31 2.241 6.270 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.678 7.795 11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.893 9.057 11.461 1.00 0.00 H new ATOM 510 N LEU A 32 1.263 7.962 8.447 1.00 0.00 N ATOM 511 CA LEU A 32 0.799 8.276 7.101 1.00 0.00 C ATOM 512 C LEU A 32 -0.668 7.884 6.923 1.00 0.00 C ATOM 513 O LEU A 32 -1.275 7.293 7.817 1.00 0.00 O ATOM 514 CB LEU A 32 1.720 7.633 6.054 1.00 0.00 C ATOM 515 CG LEU A 32 1.336 6.226 5.565 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.394 5.745 4.584 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.208 5.212 6.696 1.00 0.00 C ATOM 0 H LEU A 32 1.780 7.085 8.502 1.00 0.00 H new ATOM 0 HA LEU A 32 0.849 9.354 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.764 8.294 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.726 7.585 6.470 1.00 0.00 H new ATOM 0 HG LEU A 32 0.356 6.302 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.134 4.748 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.444 6.430 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.363 5.712 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.935 4.240 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.160 5.130 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.437 5.540 7.393 1.00 0.00 H new ATOM 529 N THR A 33 -1.235 8.225 5.763 1.00 0.00 N ATOM 530 CA THR A 33 -2.642 8.009 5.468 1.00 0.00 C ATOM 531 C THR A 33 -2.750 7.040 4.286 1.00 0.00 C ATOM 532 O THR A 33 -1.774 6.365 3.965 1.00 0.00 O ATOM 533 CB THR A 33 -3.283 9.373 5.190 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.750 9.939 4.011 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.067 10.343 6.359 1.00 0.00 C ATOM 0 H THR A 33 -0.720 8.663 4.999 1.00 0.00 H new ATOM 0 HA THR A 33 -3.176 7.556 6.304 1.00 0.00 H new ATOM 0 HB THR A 33 -4.354 9.210 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.048 10.869 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.534 11.300 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.514 9.929 7.263 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.999 10.490 6.517 1.00 0.00 H new ATOM 543 N GLY A 34 -3.902 6.989 3.606 1.00 0.00 N ATOM 544 CA GLY A 34 -4.035 6.276 2.344 1.00 0.00 C ATOM 545 C GLY A 34 -5.089 5.190 2.419 1.00 0.00 C ATOM 546 O GLY A 34 -6.001 5.257 3.240 1.00 0.00 O ATOM 0 H GLY A 34 -4.761 7.441 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.295 6.981 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.076 5.834 2.074 1.00 0.00 H new ATOM 550 N TYR A 35 -4.940 4.184 1.555 1.00 0.00 N ATOM 551 CA TYR A 35 -5.764 2.984 1.617 1.00 0.00 C ATOM 552 C TYR A 35 -5.238 1.858 0.731 1.00 0.00 C ATOM 553 O TYR A 35 -4.506 2.105 -0.226 1.00 0.00 O ATOM 554 CB TYR A 35 -7.223 3.292 1.249 1.00 0.00 C ATOM 555 CG TYR A 35 -7.413 3.736 -0.190 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.492 2.781 -1.221 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.383 5.106 -0.511 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.507 3.196 -2.563 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.479 5.520 -1.851 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.553 4.563 -2.877 1.00 0.00 C ATOM 561 OH TYR A 35 -7.673 4.953 -4.179 1.00 0.00 O ATOM 0 H TYR A 35 -4.252 4.181 0.802 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.716 2.641 2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.828 2.403 1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.598 4.072 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.541 1.729 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.286 5.841 0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.483 2.462 -3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.496 6.573 -2.092 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.692 5.932 -4.227 1.00 0.00 H new ATOM 571 N ALA A 36 -5.661 0.626 1.052 1.00 0.00 N ATOM 572 CA ALA A 36 -5.309 -0.587 0.329 1.00 0.00 C ATOM 573 C ALA A 36 -6.569 -1.238 -0.253 1.00 0.00 C ATOM 574 O ALA A 36 -7.251 -1.987 0.449 1.00 0.00 O ATOM 575 CB ALA A 36 -4.580 -1.529 1.290 1.00 0.00 C ATOM 0 H ALA A 36 -6.275 0.450 1.847 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.650 -0.355 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.308 -2.445 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.678 -1.043 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.234 -1.771 2.128 1.00 0.00 H new ATOM 581 N LYS A 37 -6.879 -0.948 -1.525 1.00 0.00 N ATOM 582 CA LYS A 37 -8.005 -1.537 -2.251 1.00 0.00 C ATOM 583 C LYS A 37 -7.533 -2.681 -3.139 1.00 0.00 C ATOM 584 O LYS A 37 -6.335 -2.909 -3.270 1.00 0.00 O ATOM 585 CB LYS A 37 -8.757 -0.468 -3.063 1.00 0.00 C ATOM 586 CG LYS A 37 -9.990 0.029 -2.296 1.00 0.00 C ATOM 587 CD LYS A 37 -10.641 1.251 -2.953 1.00 0.00 C ATOM 588 CE LYS A 37 -11.997 1.574 -2.309 1.00 0.00 C ATOM 589 NZ LYS A 37 -13.053 0.631 -2.723 1.00 0.00 N ATOM 0 H LYS A 37 -6.342 -0.285 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.705 -1.947 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.092 0.370 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.063 -0.882 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.722 -0.776 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.701 0.281 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.978 2.112 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.777 1.065 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.896 1.549 -1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.292 2.588 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.969 0.948 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.100 0.597 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.836 -0.317 -2.355 1.00 0.00 H new ATOM 603 N ASN A 38 -8.489 -3.421 -3.717 1.00 0.00 N ATOM 604 CA ASN A 38 -8.226 -4.583 -4.555 1.00 0.00 C ATOM 605 C ASN A 38 -8.954 -4.430 -5.891 1.00 0.00 C ATOM 606 O ASN A 38 -10.134 -4.086 -5.912 1.00 0.00 O ATOM 607 CB ASN A 38 -8.628 -5.890 -3.852 1.00 0.00 C ATOM 608 CG ASN A 38 -8.058 -6.123 -2.455 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.365 -5.297 -1.868 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.363 -7.294 -1.904 1.00 0.00 N ATOM 0 H ASN A 38 -9.483 -3.219 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.153 -4.639 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.716 -5.919 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.326 -6.724 -4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.019 -7.524 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.941 -7.962 -2.414 1.00 0.00 H new ATOM 617 N LEU A 39 -8.244 -4.694 -6.995 1.00 0.00 N ATOM 618 CA LEU A 39 -8.771 -4.685 -8.354 1.00 0.00 C ATOM 619 C LEU A 39 -9.697 -5.878 -8.594 1.00 0.00 C ATOM 620 O LEU A 39 -9.823 -6.771 -7.757 1.00 0.00 O ATOM 621 CB LEU A 39 -7.608 -4.703 -9.368 1.00 0.00 C ATOM 622 CG LEU A 39 -7.014 -3.316 -9.663 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.807 -3.444 -10.601 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.061 -2.407 -10.322 1.00 0.00 C ATOM 0 H LEU A 39 -7.252 -4.927 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.353 -3.773 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.819 -5.352 -8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.960 -5.142 -10.301 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.700 -2.877 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.396 -2.455 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.045 -4.065 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.122 -3.903 -11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.620 -1.430 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.393 -2.854 -11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.914 -2.290 -9.653 1.00 0.00 H new ATOM 636 N ASP A 40 -10.335 -5.882 -9.768 1.00 0.00 N ATOM 637 CA ASP A 40 -11.252 -6.920 -10.217 1.00 0.00 C ATOM 638 C ASP A 40 -10.551 -7.952 -11.112 1.00 0.00 C ATOM 639 O ASP A 40 -11.228 -8.749 -11.760 1.00 0.00 O ATOM 640 CB ASP A 40 -12.425 -6.244 -10.943 1.00 0.00 C ATOM 641 CG ASP A 40 -13.217 -5.348 -9.996 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.083 -5.899 -9.282 1.00 0.00 O ATOM 643 OD2 ASP A 40 -12.934 -4.130 -9.991 1.00 0.00 O ATOM 0 H ASP A 40 -10.219 -5.134 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.624 -7.474 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.048 -5.652 -11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.083 -7.005 -11.364 1.00 0.00 H new ATOM 648 N ASP A 41 -9.207 -7.949 -11.143 1.00 0.00 N ATOM 649 CA ASP A 41 -8.394 -8.824 -11.984 1.00 0.00 C ATOM 650 C ASP A 41 -7.432 -9.696 -11.166 1.00 0.00 C ATOM 651 O ASP A 41 -6.680 -10.479 -11.745 1.00 0.00 O ATOM 652 CB ASP A 41 -7.629 -7.955 -12.991 1.00 0.00 C ATOM 653 CG ASP A 41 -7.220 -8.731 -14.241 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.139 -9.196 -14.949 1.00 0.00 O ATOM 655 OD2 ASP A 41 -5.996 -8.833 -14.477 1.00 0.00 O ATOM 0 H ASP A 41 -8.649 -7.319 -10.567 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.053 -9.516 -12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.250 -7.108 -13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.738 -7.548 -12.512 1.00 0.00 H new ATOM 660 N GLY A 42 -7.454 -9.571 -9.829 1.00 0.00 N ATOM 661 CA GLY A 42 -6.665 -10.366 -8.900 1.00 0.00 C ATOM 662 C GLY A 42 -5.568 -9.584 -8.170 1.00 0.00 C ATOM 663 O GLY A 42 -4.793 -10.174 -7.422 1.00 0.00 O ATOM 0 H GLY A 42 -8.046 -8.887 -9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.333 -10.807 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.205 -11.190 -9.446 1.00 0.00 H new ATOM 667 N SER A 43 -5.490 -8.270 -8.399 1.00 0.00 N ATOM 668 CA SER A 43 -4.401 -7.389 -7.981 1.00 0.00 C ATOM 669 C SER A 43 -4.824 -6.450 -6.838 1.00 0.00 C ATOM 670 O SER A 43 -6.013 -6.340 -6.549 1.00 0.00 O ATOM 671 CB SER A 43 -3.922 -6.608 -9.216 1.00 0.00 C ATOM 672 OG SER A 43 -4.900 -6.564 -10.239 1.00 0.00 O ATOM 0 H SER A 43 -6.221 -7.770 -8.905 1.00 0.00 H new ATOM 0 HA SER A 43 -3.581 -7.985 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.662 -5.591 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.014 -7.069 -9.605 1.00 0.00 H new ATOM 0 HG SER A 43 -4.553 -6.057 -11.002 1.00 0.00 H new ATOM 678 N VAL A 44 -3.848 -5.813 -6.161 1.00 0.00 N ATOM 679 CA VAL A 44 -4.068 -4.977 -4.974 1.00 0.00 C ATOM 680 C VAL A 44 -3.446 -3.582 -5.137 1.00 0.00 C ATOM 681 O VAL A 44 -2.249 -3.479 -5.381 1.00 0.00 O ATOM 682 CB VAL A 44 -3.533 -5.714 -3.729 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.599 -4.851 -2.461 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.390 -6.963 -3.472 1.00 0.00 C ATOM 0 H VAL A 44 -2.867 -5.869 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.138 -4.812 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.492 -5.963 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.211 -5.418 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.000 -3.952 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.634 -4.570 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.015 -7.487 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.425 -6.666 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.339 -7.624 -4.337 1.00 0.00 H new ATOM 694 N GLU A 45 -4.243 -2.515 -4.977 1.00 0.00 N ATOM 695 CA GLU A 45 -3.830 -1.119 -5.120 1.00 0.00 C ATOM 696 C GLU A 45 -3.577 -0.461 -3.761 1.00 0.00 C ATOM 697 O GLU A 45 -4.515 -0.302 -2.981 1.00 0.00 O ATOM 698 CB GLU A 45 -4.922 -0.308 -5.828 1.00 0.00 C ATOM 699 CG GLU A 45 -5.574 -1.033 -7.003 1.00 0.00 C ATOM 700 CD GLU A 45 -6.282 -0.029 -7.912 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.954 0.868 -7.358 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.122 -0.157 -9.145 1.00 0.00 O ATOM 0 H GLU A 45 -5.229 -2.609 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.908 -1.124 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.693 -0.047 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.491 0.627 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.818 -1.578 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.289 -1.769 -6.635 1.00 0.00 H new ATOM 709 N VAL A 46 -2.335 -0.044 -3.489 1.00 0.00 N ATOM 710 CA VAL A 46 -1.950 0.568 -2.220 1.00 0.00 C ATOM 711 C VAL A 46 -1.568 2.033 -2.446 1.00 0.00 C ATOM 712 O VAL A 46 -0.808 2.318 -3.366 1.00 0.00 O ATOM 713 CB VAL A 46 -0.779 -0.229 -1.629 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.354 0.329 -0.267 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.164 -1.707 -1.455 1.00 0.00 C ATOM 0 H VAL A 46 -1.564 -0.124 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.783 0.547 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 46 0.053 -0.141 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.477 -0.258 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.043 1.368 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.193 0.275 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.321 -2.256 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.018 -1.784 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.426 -2.131 -2.424 1.00 0.00 H new ATOM 725 N VAL A 47 -2.077 2.956 -1.617 1.00 0.00 N ATOM 726 CA VAL A 47 -1.818 4.398 -1.741 1.00 0.00 C ATOM 727 C VAL A 47 -1.342 4.968 -0.398 1.00 0.00 C ATOM 728 O VAL A 47 -1.808 4.498 0.637 1.00 0.00 O ATOM 729 CB VAL A 47 -3.095 5.144 -2.169 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.758 6.522 -2.748 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.937 4.371 -3.194 1.00 0.00 C ATOM 0 H VAL A 47 -2.686 2.720 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.046 4.537 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.688 5.249 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.678 7.028 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.242 7.117 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.114 6.403 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.821 4.954 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.345 4.194 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.243 3.416 -2.767 1.00 0.00 H new ATOM 741 N ALA A 48 -0.431 5.959 -0.411 1.00 0.00 N ATOM 742 CA ALA A 48 0.166 6.479 0.823 1.00 0.00 C ATOM 743 C ALA A 48 0.720 7.891 0.634 1.00 0.00 C ATOM 744 O ALA A 48 1.393 8.123 -0.366 1.00 0.00 O ATOM 745 CB ALA A 48 1.338 5.563 1.179 1.00 0.00 C ATOM 0 H ALA A 48 -0.096 6.411 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.599 6.511 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.811 5.917 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.973 4.547 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.066 5.572 0.368 1.00 0.00 H new ATOM 751 N CYS A 49 0.491 8.795 1.600 1.00 0.00 N ATOM 752 CA CYS A 49 0.983 10.176 1.608 1.00 0.00 C ATOM 753 C CYS A 49 2.156 10.371 2.567 1.00 0.00 C ATOM 754 O CYS A 49 2.570 9.441 3.251 1.00 0.00 O ATOM 755 CB CYS A 49 -0.185 11.098 1.971 1.00 0.00 C ATOM 756 SG CYS A 49 -1.414 11.282 0.655 1.00 0.00 S ATOM 0 H CYS A 49 -0.063 8.572 2.427 1.00 0.00 H new ATOM 0 HA CYS A 49 1.364 10.421 0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.678 10.710 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.208 12.082 2.227 1.00 0.00 H new ATOM 761 N GLY A 50 2.684 11.600 2.608 1.00 0.00 N ATOM 762 CA GLY A 50 3.786 11.997 3.469 1.00 0.00 C ATOM 763 C GLY A 50 5.093 12.014 2.686 1.00 0.00 C ATOM 764 O GLY A 50 5.083 12.132 1.464 1.00 0.00 O ATOM 0 H GLY A 50 2.341 12.362 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.592 12.985 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.867 11.307 4.309 1.00 0.00 H new ATOM 768 N GLU A 51 6.217 11.912 3.404 1.00 0.00 N ATOM 769 CA GLU A 51 7.551 11.897 2.823 1.00 0.00 C ATOM 770 C GLU A 51 7.850 10.506 2.279 1.00 0.00 C ATOM 771 O GLU A 51 7.707 9.529 3.009 1.00 0.00 O ATOM 772 CB GLU A 51 8.579 12.254 3.897 1.00 0.00 C ATOM 773 CG GLU A 51 8.410 13.695 4.381 1.00 0.00 C ATOM 774 CD GLU A 51 9.430 14.010 5.468 1.00 0.00 C ATOM 775 OE1 GLU A 51 9.252 13.469 6.581 1.00 0.00 O ATOM 776 OE2 GLU A 51 10.373 14.770 5.163 1.00 0.00 O ATOM 0 H GLU A 51 6.218 11.837 4.421 1.00 0.00 H new ATOM 0 HA GLU A 51 7.603 12.625 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.476 11.572 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.584 12.119 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.534 14.384 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.401 13.841 4.766 1.00 0.00 H new ATOM 783 N GLU A 52 8.285 10.422 1.017 1.00 0.00 N ATOM 784 CA GLU A 52 8.567 9.168 0.328 1.00 0.00 C ATOM 785 C GLU A 52 9.360 8.202 1.210 1.00 0.00 C ATOM 786 O GLU A 52 8.967 7.051 1.366 1.00 0.00 O ATOM 787 CB GLU A 52 9.308 9.443 -0.991 1.00 0.00 C ATOM 788 CG GLU A 52 8.628 8.702 -2.149 1.00 0.00 C ATOM 789 CD GLU A 52 9.308 8.936 -3.498 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.455 9.433 -3.495 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.658 8.610 -4.514 1.00 0.00 O ATOM 0 H GLU A 52 8.453 11.245 0.438 1.00 0.00 H new ATOM 0 HA GLU A 52 7.615 8.688 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.320 10.514 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.347 9.123 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.621 7.634 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.588 9.020 -2.214 1.00 0.00 H new ATOM 798 N GLY A 53 10.445 8.698 1.815 1.00 0.00 N ATOM 799 CA GLY A 53 11.292 7.974 2.740 1.00 0.00 C ATOM 800 C GLY A 53 10.503 7.269 3.847 1.00 0.00 C ATOM 801 O GLY A 53 10.649 6.062 4.032 1.00 0.00 O ATOM 0 H GLY A 53 10.761 9.655 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.874 7.235 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.002 8.666 3.192 1.00 0.00 H new ATOM 805 N GLN A 54 9.668 8.029 4.567 1.00 0.00 N ATOM 806 CA GLN A 54 8.817 7.552 5.651 1.00 0.00 C ATOM 807 C GLN A 54 7.859 6.481 5.143 1.00 0.00 C ATOM 808 O GLN A 54 7.738 5.421 5.750 1.00 0.00 O ATOM 809 CB GLN A 54 8.015 8.726 6.236 1.00 0.00 C ATOM 810 CG GLN A 54 8.799 9.505 7.299 1.00 0.00 C ATOM 811 CD GLN A 54 8.723 8.831 8.668 1.00 0.00 C ATOM 812 OE1 GLN A 54 9.689 8.218 9.117 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.568 8.935 9.332 1.00 0.00 N ATOM 0 H GLN A 54 9.567 9.030 4.400 1.00 0.00 H new ATOM 0 HA GLN A 54 9.449 7.120 6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.730 9.403 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.092 8.347 6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.842 9.589 6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.405 10.519 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.790 9.453 8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.464 8.496 10.247 1.00 0.00 H new ATOM 822 N VAL A 55 7.198 6.752 4.017 1.00 0.00 N ATOM 823 CA VAL A 55 6.330 5.781 3.369 1.00 0.00 C ATOM 824 C VAL A 55 7.095 4.490 3.057 1.00 0.00 C ATOM 825 O VAL A 55 6.569 3.398 3.267 1.00 0.00 O ATOM 826 CB VAL A 55 5.687 6.384 2.110 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.727 5.371 1.479 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.926 7.675 2.431 1.00 0.00 C ATOM 0 H VAL A 55 7.252 7.649 3.534 1.00 0.00 H new ATOM 0 HA VAL A 55 5.524 5.522 4.056 1.00 0.00 H new ATOM 0 HB VAL A 55 6.487 6.624 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.275 5.805 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.277 4.470 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.945 5.116 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.484 8.074 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.137 7.463 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.614 8.408 2.851 1.00 0.00 H new ATOM 838 N GLU A 56 8.340 4.605 2.581 1.00 0.00 N ATOM 839 CA GLU A 56 9.131 3.470 2.139 1.00 0.00 C ATOM 840 C GLU A 56 9.447 2.494 3.277 1.00 0.00 C ATOM 841 O GLU A 56 9.616 1.302 3.022 1.00 0.00 O ATOM 842 CB GLU A 56 10.395 3.944 1.410 1.00 0.00 C ATOM 843 CG GLU A 56 10.682 3.048 0.201 1.00 0.00 C ATOM 844 CD GLU A 56 11.879 3.549 -0.598 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.949 3.722 0.026 1.00 0.00 O ATOM 846 OE2 GLU A 56 11.704 3.743 -1.821 1.00 0.00 O ATOM 0 H GLU A 56 8.823 5.499 2.494 1.00 0.00 H new ATOM 0 HA GLU A 56 8.527 2.906 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.269 4.976 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.244 3.927 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.871 2.029 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.803 3.013 -0.443 1.00 0.00 H new ATOM 853 N LYS A 57 9.492 2.984 4.525 1.00 0.00 N ATOM 854 CA LYS A 57 9.743 2.166 5.705 1.00 0.00 C ATOM 855 C LYS A 57 8.747 1.004 5.791 1.00 0.00 C ATOM 856 O LYS A 57 9.165 -0.136 5.986 1.00 0.00 O ATOM 857 CB LYS A 57 9.659 3.012 6.980 1.00 0.00 C ATOM 858 CG LYS A 57 10.506 4.294 6.978 1.00 0.00 C ATOM 859 CD LYS A 57 12.017 4.090 6.855 1.00 0.00 C ATOM 860 CE LYS A 57 12.564 3.286 8.039 1.00 0.00 C ATOM 861 NZ LYS A 57 14.004 3.524 8.231 1.00 0.00 N ATOM 0 H LYS A 57 9.353 3.972 4.738 1.00 0.00 H new ATOM 0 HA LYS A 57 10.750 1.758 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.617 3.286 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.965 2.396 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.175 4.925 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.306 4.842 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.242 3.570 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.515 5.058 6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.025 3.559 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.389 2.223 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.343 2.965 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.520 3.241 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.167 4.534 8.415 1.00 0.00 H new ATOM 875 N LEU A 58 7.441 1.276 5.643 1.00 0.00 N ATOM 876 CA LEU A 58 6.433 0.220 5.663 1.00 0.00 C ATOM 877 C LEU A 58 6.402 -0.548 4.346 1.00 0.00 C ATOM 878 O LEU A 58 6.073 -1.732 4.341 1.00 0.00 O ATOM 879 CB LEU A 58 5.044 0.748 6.055 1.00 0.00 C ATOM 880 CG LEU A 58 4.199 1.366 4.928 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.239 0.343 4.298 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.355 2.499 5.504 1.00 0.00 C ATOM 0 H LEU A 58 7.066 2.215 5.509 1.00 0.00 H new ATOM 0 HA LEU A 58 6.725 -0.485 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.478 -0.074 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.172 1.498 6.835 1.00 0.00 H new ATOM 0 HG LEU A 58 4.887 1.721 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.663 0.824 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.812 -0.483 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.560 -0.037 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.753 2.943 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.700 2.106 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.009 3.259 5.931 1.00 0.00 H new ATOM 894 N MET A 59 6.736 0.115 3.229 1.00 0.00 N ATOM 895 CA MET A 59 6.723 -0.523 1.921 1.00 0.00 C ATOM 896 C MET A 59 7.784 -1.614 1.818 1.00 0.00 C ATOM 897 O MET A 59 7.623 -2.516 1.000 1.00 0.00 O ATOM 898 CB MET A 59 6.836 0.485 0.774 1.00 0.00 C ATOM 899 CG MET A 59 5.758 1.576 0.839 1.00 0.00 C ATOM 900 SD MET A 59 4.555 1.593 -0.518 1.00 0.00 S ATOM 901 CE MET A 59 5.460 2.604 -1.719 1.00 0.00 C ATOM 0 H MET A 59 7.018 1.095 3.214 1.00 0.00 H new ATOM 0 HA MET A 59 5.749 -1.001 1.818 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.821 0.951 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.758 -0.042 -0.177 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.215 1.466 1.777 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.254 2.546 0.870 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.862 2.718 -2.623 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.660 3.586 -1.290 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.403 2.117 -1.967 1.00 0.00 H new ATOM 911 N GLN A 60 8.827 -1.580 2.659 1.00 0.00 N ATOM 912 CA GLN A 60 9.752 -2.698 2.794 1.00 0.00 C ATOM 913 C GLN A 60 8.973 -4.017 2.870 1.00 0.00 C ATOM 914 O GLN A 60 9.293 -4.945 2.119 1.00 0.00 O ATOM 915 CB GLN A 60 10.672 -2.494 4.006 1.00 0.00 C ATOM 916 CG GLN A 60 11.593 -1.276 3.795 1.00 0.00 C ATOM 917 CD GLN A 60 13.007 -1.493 4.334 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.645 -2.497 4.025 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.520 -0.544 5.119 1.00 0.00 N ATOM 0 H GLN A 60 9.046 -0.783 3.256 1.00 0.00 H new ATOM 0 HA GLN A 60 10.393 -2.745 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.071 -2.350 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.275 -3.388 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.647 -1.049 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.154 -0.407 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.964 0.277 5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.469 -0.640 5.482 1.00 0.00 H new ATOM 928 N TRP A 61 7.910 -4.077 3.688 1.00 0.00 N ATOM 929 CA TRP A 61 7.170 -5.322 3.826 1.00 0.00 C ATOM 930 C TRP A 61 6.428 -5.692 2.535 1.00 0.00 C ATOM 931 O TRP A 61 6.430 -6.859 2.158 1.00 0.00 O ATOM 932 CB TRP A 61 6.209 -5.153 5.029 1.00 0.00 C ATOM 933 CG TRP A 61 4.992 -6.011 4.988 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.924 -7.345 5.191 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.659 -5.586 4.626 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.633 -7.778 4.966 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.814 -6.726 4.601 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.098 -4.338 4.296 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.461 -6.633 4.264 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.731 -4.228 3.983 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.914 -5.373 3.965 1.00 0.00 C ATOM 0 H TRP A 61 7.558 -3.298 4.245 1.00 0.00 H new ATOM 0 HA TRP A 61 7.853 -6.152 4.009 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.757 -5.370 5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.898 -4.110 5.083 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.751 -7.975 5.484 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.324 -8.746 5.057 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.723 -3.457 4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.843 -7.518 4.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.307 -3.261 3.756 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.134 -5.284 3.721 1.00 0.00 H new ATOM 952 N LEU A 62 5.813 -4.711 1.848 1.00 0.00 N ATOM 953 CA LEU A 62 5.149 -4.921 0.556 1.00 0.00 C ATOM 954 C LEU A 62 6.111 -5.565 -0.446 1.00 0.00 C ATOM 955 O LEU A 62 5.792 -6.609 -1.014 1.00 0.00 O ATOM 956 CB LEU A 62 4.571 -3.602 -0.002 1.00 0.00 C ATOM 957 CG LEU A 62 3.199 -3.266 0.607 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.958 -1.755 0.699 1.00 0.00 C ATOM 959 CD2 LEU A 62 2.069 -3.874 -0.234 1.00 0.00 C ATOM 0 H LEU A 62 5.765 -3.747 2.179 1.00 0.00 H new ATOM 0 HA LEU A 62 4.314 -5.603 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.266 -2.788 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.477 -3.678 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 62 3.201 -3.688 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.977 -1.569 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.726 -1.302 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.000 -1.318 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.107 -3.625 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.113 -3.473 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.183 -4.957 -0.268 1.00 0.00 H new ATOM 1101 N VAL A 72 3.589 -12.604 -5.457 1.00 0.00 N ATOM 1102 CA VAL A 72 3.898 -11.280 -5.981 1.00 0.00 C ATOM 1103 C VAL A 72 4.598 -11.442 -7.333 1.00 0.00 C ATOM 1104 O VAL A 72 5.810 -11.649 -7.389 1.00 0.00 O ATOM 1105 CB VAL A 72 4.757 -10.495 -4.969 1.00 0.00 C ATOM 1106 CG1 VAL A 72 5.117 -9.104 -5.512 1.00 0.00 C ATOM 1107 CG2 VAL A 72 4.014 -10.319 -3.637 1.00 0.00 C ATOM 0 HA VAL A 72 2.985 -10.705 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 72 5.668 -11.072 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.723 -8.573 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.680 -9.210 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.204 -8.541 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.642 -9.762 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.087 -9.772 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.785 -11.298 -3.216 1.00 0.00 H new ATOM 1117 N GLU A 73 3.821 -11.367 -8.418 1.00 0.00 N ATOM 1118 CA GLU A 73 4.306 -11.546 -9.778 1.00 0.00 C ATOM 1119 C GLU A 73 5.040 -10.295 -10.273 1.00 0.00 C ATOM 1120 O GLU A 73 6.135 -10.400 -10.819 1.00 0.00 O ATOM 1121 CB GLU A 73 3.138 -11.939 -10.696 1.00 0.00 C ATOM 1122 CG GLU A 73 3.523 -13.058 -11.670 1.00 0.00 C ATOM 1123 CD GLU A 73 2.363 -13.423 -12.596 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.223 -13.499 -12.086 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.638 -13.619 -13.799 1.00 0.00 O ATOM 0 H GLU A 73 2.820 -11.176 -8.368 1.00 0.00 H new ATOM 0 HA GLU A 73 5.035 -12.357 -9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.293 -12.262 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.810 -11.065 -11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.380 -12.743 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.832 -13.940 -11.108 1.00 0.00 H new ATOM 1132 N ARG A 74 4.429 -9.118 -10.082 1.00 0.00 N ATOM 1133 CA ARG A 74 4.944 -7.826 -10.529 1.00 0.00 C ATOM 1134 C ARG A 74 4.335 -6.711 -9.676 1.00 0.00 C ATOM 1135 O ARG A 74 3.338 -6.938 -8.998 1.00 0.00 O ATOM 1136 CB ARG A 74 4.572 -7.608 -12.006 1.00 0.00 C ATOM 1137 CG ARG A 74 5.781 -7.768 -12.935 1.00 0.00 C ATOM 1138 CD ARG A 74 5.420 -7.469 -14.396 1.00 0.00 C ATOM 1139 NE ARG A 74 4.428 -8.420 -14.921 1.00 0.00 N ATOM 1140 CZ ARG A 74 3.094 -8.250 -14.951 1.00 0.00 C ATOM 1141 NH1 ARG A 74 2.524 -7.104 -14.549 1.00 0.00 N ATOM 1142 NH2 ARG A 74 2.316 -9.252 -15.383 1.00 0.00 N ATOM 0 H ARG A 74 3.535 -9.041 -9.597 1.00 0.00 H new ATOM 0 HA ARG A 74 6.029 -7.811 -10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.798 -8.320 -12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.150 -6.611 -12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.578 -7.098 -12.613 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.168 -8.784 -12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.027 -6.455 -14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.321 -7.509 -15.008 1.00 0.00 H new ATOM 0 HE ARG A 74 4.788 -9.296 -15.300 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.105 -6.337 -14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.510 -7.000 -14.582 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.737 -10.131 -15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.303 -9.136 -15.411 1.00 0.00 H new ATOM 1156 N VAL A 75 4.937 -5.513 -9.706 1.00 0.00 N ATOM 1157 CA VAL A 75 4.433 -4.355 -8.972 1.00 0.00 C ATOM 1158 C VAL A 75 4.881 -3.038 -9.636 1.00 0.00 C ATOM 1159 O VAL A 75 6.062 -2.900 -9.946 1.00 0.00 O ATOM 1160 CB VAL A 75 4.870 -4.462 -7.497 1.00 0.00 C ATOM 1161 CG1 VAL A 75 6.386 -4.595 -7.307 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.331 -3.284 -6.679 1.00 0.00 C ATOM 0 H VAL A 75 5.785 -5.325 -10.240 1.00 0.00 H new ATOM 0 HA VAL A 75 3.343 -4.346 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 75 4.434 -5.390 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.615 -4.665 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.739 -5.493 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.884 -3.721 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.653 -3.383 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.714 -2.350 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.242 -3.280 -6.722 1.00 0.00 H new ATOM 1172 N LEU A 76 3.958 -2.083 -9.857 1.00 0.00 N ATOM 1173 CA LEU A 76 4.235 -0.797 -10.517 1.00 0.00 C ATOM 1174 C LEU A 76 3.864 0.408 -9.639 1.00 0.00 C ATOM 1175 O LEU A 76 2.828 0.376 -8.985 1.00 0.00 O ATOM 1176 CB LEU A 76 3.437 -0.709 -11.831 1.00 0.00 C ATOM 1177 CG LEU A 76 4.306 -0.222 -13.001 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.269 -1.323 -13.469 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.404 0.189 -14.168 1.00 0.00 C ATOM 0 H LEU A 76 2.983 -2.187 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 76 5.308 -0.760 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.023 -1.689 -12.070 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.594 -0.031 -11.699 1.00 0.00 H new ATOM 0 HG LEU A 76 4.894 0.631 -12.661 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.872 -0.951 -14.298 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.922 -1.609 -12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.697 -2.191 -13.797 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.019 0.535 -14.999 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.810 -0.667 -14.488 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.740 0.992 -13.849 1.00 0.00 H new ATOM 1191 N SER A 77 4.683 1.472 -9.659 1.00 0.00 N ATOM 1192 CA SER A 77 4.512 2.685 -8.849 1.00 0.00 C ATOM 1193 C SER A 77 4.414 3.965 -9.701 1.00 0.00 C ATOM 1194 O SER A 77 5.132 4.082 -10.691 1.00 0.00 O ATOM 1195 CB SER A 77 5.682 2.801 -7.857 1.00 0.00 C ATOM 1196 OG SER A 77 6.792 2.010 -8.236 1.00 0.00 O ATOM 0 H SER A 77 5.507 1.511 -10.258 1.00 0.00 H new ATOM 0 HA SER A 77 3.567 2.592 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.991 3.844 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.345 2.498 -6.866 1.00 0.00 H new ATOM 0 HG SER A 77 7.510 2.117 -7.578 1.00 0.00 H new ATOM 1202 N GLU A 78 3.563 4.926 -9.292 1.00 0.00 N ATOM 1203 CA GLU A 78 3.329 6.203 -9.988 1.00 0.00 C ATOM 1204 C GLU A 78 3.112 7.353 -8.987 1.00 0.00 C ATOM 1205 O GLU A 78 2.746 7.095 -7.840 1.00 0.00 O ATOM 1206 CB GLU A 78 2.096 6.076 -10.904 1.00 0.00 C ATOM 1207 CG GLU A 78 2.407 5.454 -12.276 1.00 0.00 C ATOM 1208 CD GLU A 78 3.321 6.322 -13.138 1.00 0.00 C ATOM 1209 OE1 GLU A 78 2.789 7.284 -13.735 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.530 6.011 -13.191 1.00 0.00 O ATOM 0 H GLU A 78 3.004 4.831 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 78 4.212 6.432 -10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.342 5.469 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.662 7.065 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.875 4.481 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.472 5.281 -12.809 1.00 0.00 H new ATOM 1217 N PRO A 79 3.298 8.624 -9.404 1.00 0.00 N ATOM 1218 CA PRO A 79 3.086 9.794 -8.558 1.00 0.00 C ATOM 1219 C PRO A 79 1.593 10.041 -8.311 1.00 0.00 C ATOM 1220 O PRO A 79 0.785 9.931 -9.232 1.00 0.00 O ATOM 1221 CB PRO A 79 3.719 10.968 -9.312 1.00 0.00 C ATOM 1222 CG PRO A 79 3.570 10.559 -10.776 1.00 0.00 C ATOM 1223 CD PRO A 79 3.758 9.043 -10.722 1.00 0.00 C ATOM 0 HA PRO A 79 3.535 9.658 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.206 11.906 -9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.764 11.108 -9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.593 10.832 -11.175 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.318 11.038 -11.408 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.186 8.551 -11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.804 8.775 -10.873 1.00 0.00 H new ATOM 1231 N HIS A 80 1.239 10.372 -7.062 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.133 10.578 -6.613 1.00 0.00 C ATOM 1233 C HIS A 80 -0.278 11.958 -5.963 1.00 0.00 C ATOM 1234 O HIS A 80 0.350 12.219 -4.942 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.487 9.464 -5.612 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.950 9.114 -5.594 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.598 8.567 -6.689 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.865 9.241 -4.580 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.875 8.384 -6.317 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.082 8.789 -5.054 1.00 0.00 N ATOM 0 H HIS A 80 1.924 10.506 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.815 10.539 -7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.089 8.571 -5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.184 9.775 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.670 9.625 -3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.639 7.964 -6.954 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.965 8.767 -4.544 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.096 12.855 -6.528 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.335 14.171 -5.936 1.00 0.00 C ATOM 1251 C HIS A 81 -2.830 14.377 -5.652 1.00 0.00 C ATOM 1252 O HIS A 81 -3.484 15.122 -6.381 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.763 15.242 -6.877 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.671 16.629 -6.284 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -0.094 17.686 -6.967 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -1.062 17.092 -5.053 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.156 18.748 -6.148 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.735 18.432 -4.979 1.00 0.00 N ATOM 0 H HIS A 81 -1.603 12.689 -7.397 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.829 14.250 -4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.233 14.932 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.383 15.286 -7.772 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.541 16.511 -4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.213 19.732 -6.398 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.901 19.058 -4.191 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.394 13.744 -4.609 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.803 13.880 -4.274 1.00 0.00 C ATOM 1269 C PRO A 82 -5.081 15.260 -3.674 1.00 0.00 C ATOM 1270 O PRO A 82 -4.231 15.825 -2.985 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.097 12.757 -3.277 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.755 12.557 -2.575 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.738 12.833 -3.686 1.00 0.00 C ATOM 0 HA PRO A 82 -5.445 13.800 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.882 13.037 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.428 11.848 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.632 13.243 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.654 11.547 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.828 13.275 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.448 11.910 -4.188 1.00 0.00 H new ATOM 1281 N SER A 83 -6.273 15.800 -3.950 1.00 0.00 N ATOM 1282 CA SER A 83 -6.707 17.092 -3.440 1.00 0.00 C ATOM 1283 C SER A 83 -6.993 17.006 -1.939 1.00 0.00 C ATOM 1284 O SER A 83 -7.534 16.009 -1.459 1.00 0.00 O ATOM 1285 CB SER A 83 -7.929 17.584 -4.225 1.00 0.00 C ATOM 1286 OG SER A 83 -8.999 16.665 -4.142 1.00 0.00 O ATOM 0 H SER A 83 -6.967 15.342 -4.541 1.00 0.00 H new ATOM 0 HA SER A 83 -5.907 17.819 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.247 18.551 -3.837 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.656 17.734 -5.270 1.00 0.00 H new ATOM 0 HG SER A 83 -9.764 17.007 -4.650 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.610 18.055 -1.201 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.749 18.121 0.246 1.00 0.00 C ATOM 1294 C GLY A 84 -5.773 17.187 0.959 1.00 0.00 C ATOM 1295 O GLY A 84 -4.993 16.472 0.329 1.00 0.00 O ATOM 0 H GLY A 84 -6.189 18.891 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.580 19.145 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.770 17.859 0.524 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.841 17.200 2.295 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.113 16.294 3.167 1.00 0.00 C ATOM 1301 C GLU A 85 -6.070 15.208 3.648 1.00 0.00 C ATOM 1302 O GLU A 85 -7.177 15.496 4.102 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.498 17.068 4.339 1.00 0.00 C ATOM 1304 CG GLU A 85 -3.207 17.761 3.882 1.00 0.00 C ATOM 1305 CD GLU A 85 -2.589 18.663 4.948 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -3.181 18.766 6.044 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -1.520 19.236 4.642 1.00 0.00 O ATOM 0 H GLU A 85 -6.423 17.863 2.806 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.292 15.824 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.207 17.808 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.285 16.388 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.480 17.002 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.418 18.355 2.993 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.625 13.955 3.529 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.356 12.773 3.954 1.00 0.00 C ATOM 1316 C LEU A 86 -6.412 12.728 5.485 1.00 0.00 C ATOM 1317 O LEU A 86 -5.507 13.226 6.154 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.641 11.535 3.384 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.474 10.677 2.423 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.947 11.449 1.186 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.608 9.509 1.955 1.00 0.00 C ATOM 0 H LEU A 86 -4.717 13.735 3.121 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.381 12.795 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.741 11.864 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.317 10.909 4.215 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.362 10.347 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.531 10.788 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.565 12.291 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.082 11.818 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.180 8.884 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.724 9.893 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.301 8.916 2.816 1.00 0.00 H new ATOM 1333 N THR A 87 -7.473 12.126 6.035 1.00 0.00 N ATOM 1334 CA THR A 87 -7.675 11.995 7.468 1.00 0.00 C ATOM 1335 C THR A 87 -6.779 10.872 7.990 1.00 0.00 C ATOM 1336 O THR A 87 -5.738 11.146 8.584 1.00 0.00 O ATOM 1337 CB THR A 87 -9.172 11.767 7.776 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.877 11.372 6.613 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.800 13.046 8.337 1.00 0.00 C ATOM 0 H THR A 87 -8.223 11.712 5.481 1.00 0.00 H new ATOM 0 HA THR A 87 -7.393 12.913 7.984 1.00 0.00 H new ATOM 0 HB THR A 87 -9.241 10.970 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.821 11.232 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.855 12.871 8.549 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.287 13.330 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.706 13.849 7.606 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.188 9.621 7.763 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.517 8.435 8.280 1.00 0.00 C ATOM 1349 C ASP A 88 -6.448 7.345 7.211 1.00 0.00 C ATOM 1350 O ASP A 88 -7.132 7.420 6.189 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.227 7.945 9.553 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.559 7.243 9.283 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.350 7.791 8.485 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.766 6.173 9.893 1.00 0.00 O ATOM 0 H ASP A 88 -8.012 9.405 7.203 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.491 8.690 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.567 7.260 10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.402 8.796 10.211 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.617 6.329 7.457 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.513 5.162 6.597 1.00 0.00 C ATOM 1361 C PHE A 89 -6.719 4.243 6.809 1.00 0.00 C ATOM 1362 O PHE A 89 -7.230 4.140 7.923 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.187 4.442 6.858 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.025 3.132 6.111 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.462 3.110 4.821 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.523 1.943 6.677 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.414 1.908 4.094 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.509 0.753 5.934 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.961 0.734 4.643 1.00 0.00 C ATOM 0 H PHE A 89 -4.996 6.299 8.266 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.521 5.472 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.367 5.106 6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.097 4.250 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.067 4.018 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.916 1.947 7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.958 1.886 3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.921 -0.151 6.357 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.959 -0.182 4.071 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.163 3.568 5.740 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.292 2.643 5.782 1.00 0.00 C ATOM 1381 C ARG A 90 -8.104 1.537 4.739 1.00 0.00 C ATOM 1382 O ARG A 90 -7.017 1.379 4.189 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.604 3.428 5.606 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.776 3.913 4.161 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.507 5.251 4.060 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.841 5.211 4.672 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.775 6.163 4.500 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.524 7.233 3.731 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -13.967 6.047 5.101 1.00 0.00 N ATOM 0 H ARG A 90 -6.741 3.653 4.815 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.343 2.147 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.448 2.796 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.612 4.283 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.794 4.006 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.327 3.162 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.911 6.024 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.600 5.532 3.011 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.073 4.413 5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.619 7.329 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.238 7.950 3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.165 5.237 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.676 6.769 4.971 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.153 0.750 4.479 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.124 -0.385 3.564 1.00 0.00 C ATOM 1405 C ILE A 91 -10.418 -0.429 2.745 1.00 0.00 C ATOM 1406 O ILE A 91 -11.333 0.357 2.992 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.925 -1.688 4.362 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -10.018 -1.873 5.434 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.529 -1.737 4.997 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.595 -3.290 5.392 1.00 0.00 C ATOM 0 H ILE A 91 -10.066 0.892 4.912 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.290 -0.276 2.871 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.011 -2.515 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.601 -1.676 6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.815 -1.147 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.415 -2.667 5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.772 -1.688 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.407 -0.891 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.363 -3.393 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.033 -3.475 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.800 -4.012 5.576 1.00 0.00 H new