USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -129:sc= -0.445 (180deg=-0.65) USER MOD Single : A 5 TYR OH : rot 130:sc= -0.428 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.61 K(o=-2.6,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -60:sc= 0.762 USER MOD Single : A 20 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.88) USER MOD Single : A 23 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -88:sc= 0.781 USER MOD Single : A 29 ASN : amide:sc= 0.47 K(o=0.47,f=-1.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -59:sc= -0.702 USER MOD Single : A 37 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.5) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0887 K(o=-0.089,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.702 -0.304 0.210 1.00 54.12 N ATOM 2 CA VAL A 1 2.489 -0.244 -1.016 1.00 31.21 C ATOM 3 C VAL A 1 3.065 1.151 -1.232 1.00 33.22 C ATOM 4 O VAL A 1 2.674 2.105 -0.560 1.00 10.51 O ATOM 5 CB VAL A 1 1.646 -0.635 -2.244 1.00 72.41 C ATOM 6 CG1 VAL A 1 1.066 -2.031 -2.071 1.00 53.13 C ATOM 7 CG2 VAL A 1 0.542 0.385 -2.479 1.00 31.52 C ATOM 0 H1 VAL A 1 2.017 -1.111 0.786 1.00 54.12 H new ATOM 0 H2 VAL A 1 1.830 0.577 0.748 1.00 54.12 H new ATOM 0 H3 VAL A 1 0.696 -0.421 -0.028 1.00 54.12 H new ATOM 0 HA VAL A 1 3.305 -0.957 -0.903 1.00 31.21 H new ATOM 0 HB VAL A 1 2.294 -0.643 -3.120 1.00 72.41 H new ATOM 0 HG11 VAL A 1 0.473 -2.290 -2.948 1.00 53.13 H new ATOM 0 HG12 VAL A 1 1.877 -2.750 -1.955 1.00 53.13 H new ATOM 0 HG13 VAL A 1 0.432 -2.054 -1.185 1.00 53.13 H new ATOM 0 HG21 VAL A 1 -0.044 0.093 -3.351 1.00 31.52 H new ATOM 0 HG22 VAL A 1 -0.106 0.428 -1.604 1.00 31.52 H new ATOM 0 HG23 VAL A 1 0.984 1.366 -2.651 1.00 31.52 H new ATOM 17 N ARG A 2 3.995 1.262 -2.174 1.00 63.51 N ATOM 18 CA ARG A 2 4.626 2.540 -2.479 1.00 10.25 C ATOM 19 C ARG A 2 5.224 2.531 -3.882 1.00 70.13 C ATOM 20 O ARG A 2 5.611 1.481 -4.396 1.00 55.13 O ATOM 21 CB ARG A 2 5.715 2.854 -1.451 1.00 30.52 C ATOM 22 CG ARG A 2 6.274 1.620 -0.760 1.00 52.14 C ATOM 23 CD ARG A 2 6.959 0.690 -1.750 1.00 2.54 C ATOM 24 NE ARG A 2 7.579 -0.454 -1.086 1.00 53.25 N ATOM 25 CZ ARG A 2 8.551 -1.179 -1.628 1.00 21.02 C ATOM 26 NH1 ARG A 2 9.013 -0.880 -2.834 1.00 53.12 N ATOM 27 NH2 ARG A 2 9.064 -2.206 -0.962 1.00 1.42 N ATOM 0 H ARG A 2 4.329 0.482 -2.740 1.00 63.51 H new ATOM 0 HA ARG A 2 3.860 3.314 -2.435 1.00 10.25 H new ATOM 0 HB2 ARG A 2 6.529 3.383 -1.947 1.00 30.52 H new ATOM 0 HB3 ARG A 2 5.308 3.529 -0.698 1.00 30.52 H new ATOM 0 HG2 ARG A 2 6.985 1.923 0.009 1.00 52.14 H new ATOM 0 HG3 ARG A 2 5.468 1.087 -0.256 1.00 52.14 H new ATOM 0 HD2 ARG A 2 6.230 0.335 -2.478 1.00 2.54 H new ATOM 0 HD3 ARG A 2 7.718 1.244 -2.302 1.00 2.54 H new ATOM 0 HE ARG A 2 7.248 -0.710 -0.156 1.00 53.25 H new ATOM 0 HH11 ARG A 2 8.622 -0.091 -3.349 1.00 53.12 H new ATOM 0 HH12 ARG A 2 9.760 -1.439 -3.247 1.00 53.12 H new ATOM 0 HH21 ARG A 2 8.712 -2.439 -0.033 1.00 1.42 H new ATOM 0 HH22 ARG A 2 9.810 -2.762 -1.379 1.00 1.42 H new ATOM 41 N ASP A 3 5.296 3.706 -4.497 1.00 1.53 N ATOM 42 CA ASP A 3 5.847 3.834 -5.841 1.00 3.22 C ATOM 43 C ASP A 3 7.372 3.799 -5.808 1.00 61.45 C ATOM 44 O ASP A 3 7.991 4.204 -4.825 1.00 65.43 O ATOM 45 CB ASP A 3 5.369 5.134 -6.490 1.00 31.11 C ATOM 46 CG ASP A 3 4.065 5.631 -5.897 1.00 41.32 C ATOM 47 OD1 ASP A 3 3.130 4.816 -5.752 1.00 12.20 O ATOM 48 OD2 ASP A 3 3.980 6.835 -5.578 1.00 3.33 O ATOM 0 H ASP A 3 4.979 4.584 -4.086 1.00 1.53 H new ATOM 0 HA ASP A 3 5.494 2.990 -6.434 1.00 3.22 H new ATOM 0 HB2 ASP A 3 6.135 5.900 -6.370 1.00 31.11 H new ATOM 0 HB3 ASP A 3 5.241 4.977 -7.561 1.00 31.11 H new ATOM 53 N ALA A 4 7.970 3.310 -6.890 1.00 5.20 N ATOM 54 CA ALA A 4 9.422 3.222 -6.986 1.00 3.43 C ATOM 55 C ALA A 4 9.848 2.592 -8.307 1.00 62.22 C ATOM 56 O ALA A 4 9.014 2.298 -9.163 1.00 74.14 O ATOM 57 CB ALA A 4 9.981 2.427 -5.815 1.00 3.40 C ATOM 0 H ALA A 4 7.471 2.969 -7.712 1.00 5.20 H new ATOM 0 HA ALA A 4 9.826 4.234 -6.950 1.00 3.43 H new ATOM 0 HB1 ALA A 4 11.066 2.369 -5.899 1.00 3.40 H new ATOM 0 HB2 ALA A 4 9.716 2.921 -4.880 1.00 3.40 H new ATOM 0 HB3 ALA A 4 9.562 1.421 -5.825 1.00 3.40 H new ATOM 63 N TYR A 5 11.151 2.387 -8.467 1.00 11.31 N ATOM 64 CA TYR A 5 11.688 1.794 -9.686 1.00 53.41 C ATOM 65 C TYR A 5 11.691 0.272 -9.595 1.00 64.53 C ATOM 66 O TYR A 5 12.640 -0.329 -9.089 1.00 12.33 O ATOM 67 CB TYR A 5 13.106 2.305 -9.945 1.00 23.45 C ATOM 68 CG TYR A 5 13.189 3.327 -11.055 1.00 41.40 C ATOM 69 CD1 TYR A 5 12.842 2.996 -12.359 1.00 14.32 C ATOM 70 CD2 TYR A 5 13.614 4.626 -10.800 1.00 21.51 C ATOM 71 CE1 TYR A 5 12.917 3.927 -13.376 1.00 54.44 C ATOM 72 CE2 TYR A 5 13.691 5.564 -11.811 1.00 73.31 C ATOM 73 CZ TYR A 5 13.341 5.210 -13.098 1.00 24.34 C ATOM 74 OH TYR A 5 13.416 6.141 -14.108 1.00 60.44 O ATOM 0 H TYR A 5 11.855 2.623 -7.767 1.00 11.31 H new ATOM 0 HA TYR A 5 11.047 2.088 -10.517 1.00 53.41 H new ATOM 0 HB2 TYR A 5 13.498 2.745 -9.028 1.00 23.45 H new ATOM 0 HB3 TYR A 5 13.748 1.460 -10.192 1.00 23.45 H new ATOM 0 HD1 TYR A 5 12.508 1.993 -12.581 1.00 14.32 H new ATOM 0 HD2 TYR A 5 13.889 4.907 -9.794 1.00 21.51 H new ATOM 0 HE1 TYR A 5 12.645 3.652 -14.384 1.00 54.44 H new ATOM 0 HE2 TYR A 5 14.023 6.569 -11.595 1.00 73.31 H new ATOM 0 HH TYR A 5 12.956 6.961 -13.832 1.00 60.44 H new ATOM 84 N ILE A 6 10.625 -0.347 -10.090 1.00 54.35 N ATOM 85 CA ILE A 6 10.505 -1.799 -10.067 1.00 72.25 C ATOM 86 C ILE A 6 11.683 -2.459 -10.776 1.00 31.33 C ATOM 87 O ILE A 6 12.221 -1.920 -11.742 1.00 52.40 O ATOM 88 CB ILE A 6 9.195 -2.267 -10.729 1.00 40.43 C ATOM 89 CG1 ILE A 6 9.127 -3.795 -10.753 1.00 0.13 C ATOM 90 CG2 ILE A 6 9.084 -1.704 -12.139 1.00 32.44 C ATOM 91 CD1 ILE A 6 7.734 -4.334 -10.993 1.00 23.23 C ATOM 0 H ILE A 6 9.831 0.135 -10.512 1.00 54.35 H new ATOM 0 HA ILE A 6 10.500 -2.098 -9.019 1.00 72.25 H new ATOM 0 HB ILE A 6 8.355 -1.894 -10.142 1.00 40.43 H new ATOM 0 HG12 ILE A 6 9.791 -4.168 -11.532 1.00 0.13 H new ATOM 0 HG13 ILE A 6 9.499 -4.182 -9.805 1.00 0.13 H new ATOM 0 HG21 ILE A 6 8.153 -2.043 -12.594 1.00 32.44 H new ATOM 0 HG22 ILE A 6 9.092 -0.615 -12.098 1.00 32.44 H new ATOM 0 HG23 ILE A 6 9.927 -2.050 -12.736 1.00 32.44 H new ATOM 0 HD11 ILE A 6 7.761 -5.424 -10.997 1.00 23.23 H new ATOM 0 HD12 ILE A 6 7.069 -3.991 -10.200 1.00 23.23 H new ATOM 0 HD13 ILE A 6 7.366 -3.976 -11.955 1.00 23.23 H new ATOM 103 N ALA A 7 12.078 -3.631 -10.289 1.00 74.31 N ATOM 104 CA ALA A 7 13.189 -4.367 -10.878 1.00 24.53 C ATOM 105 C ALA A 7 13.056 -5.864 -10.617 1.00 4.04 C ATOM 106 O ALA A 7 12.130 -6.306 -9.937 1.00 60.50 O ATOM 107 CB ALA A 7 14.512 -3.850 -10.333 1.00 24.24 C ATOM 0 H ALA A 7 11.645 -4.091 -9.488 1.00 74.31 H new ATOM 0 HA ALA A 7 13.166 -4.209 -11.956 1.00 24.53 H new ATOM 0 HB1 ALA A 7 15.333 -4.409 -10.781 1.00 24.24 H new ATOM 0 HB2 ALA A 7 14.617 -2.793 -10.576 1.00 24.24 H new ATOM 0 HB3 ALA A 7 14.535 -3.978 -9.251 1.00 24.24 H new ATOM 113 N LYS A 8 13.987 -6.640 -11.161 1.00 44.13 N ATOM 114 CA LYS A 8 13.975 -8.087 -10.987 1.00 64.54 C ATOM 115 C LYS A 8 15.267 -8.568 -10.333 1.00 51.42 C ATOM 116 O LYS A 8 16.361 -8.094 -10.642 1.00 33.21 O ATOM 117 CB LYS A 8 13.786 -8.782 -12.338 1.00 22.43 C ATOM 118 CG LYS A 8 13.952 -10.291 -12.274 1.00 0.11 C ATOM 119 CD LYS A 8 14.097 -10.895 -13.661 1.00 21.14 C ATOM 120 CE LYS A 8 15.556 -11.149 -14.008 1.00 71.20 C ATOM 121 NZ LYS A 8 15.838 -12.600 -14.190 1.00 60.03 N ATOM 0 H LYS A 8 14.760 -6.290 -11.727 1.00 44.13 H new ATOM 0 HA LYS A 8 13.141 -8.342 -10.333 1.00 64.54 H new ATOM 0 HB2 LYS A 8 12.792 -8.550 -12.721 1.00 22.43 H new ATOM 0 HB3 LYS A 8 14.504 -8.376 -13.050 1.00 22.43 H new ATOM 0 HG2 LYS A 8 14.829 -10.536 -11.676 1.00 0.11 H new ATOM 0 HG3 LYS A 8 13.091 -10.732 -11.772 1.00 0.11 H new ATOM 0 HD2 LYS A 8 13.542 -11.831 -13.711 1.00 21.14 H new ATOM 0 HD3 LYS A 8 13.658 -10.224 -14.399 1.00 21.14 H new ATOM 0 HE2 LYS A 8 15.811 -10.612 -14.922 1.00 71.20 H new ATOM 0 HE3 LYS A 8 16.192 -10.752 -13.217 1.00 71.20 H new ATOM 0 HZ1 LYS A 8 16.842 -12.732 -14.425 1.00 60.03 H new ATOM 0 HZ2 LYS A 8 15.619 -13.109 -13.310 1.00 60.03 H new ATOM 0 HZ3 LYS A 8 15.250 -12.974 -14.962 1.00 60.03 H new ATOM 135 N PRO A 9 15.140 -9.531 -9.409 1.00 23.13 N ATOM 136 CA PRO A 9 16.288 -10.098 -8.693 1.00 53.45 C ATOM 137 C PRO A 9 17.173 -10.947 -9.599 1.00 4.12 C ATOM 138 O PRO A 9 16.732 -11.423 -10.644 1.00 13.10 O ATOM 139 CB PRO A 9 15.639 -10.966 -7.613 1.00 74.21 C ATOM 140 CG PRO A 9 14.302 -11.322 -8.166 1.00 14.24 C ATOM 141 CD PRO A 9 13.867 -10.142 -8.991 1.00 24.13 C ATOM 0 HA PRO A 9 16.946 -9.324 -8.298 1.00 53.45 H new ATOM 0 HB2 PRO A 9 16.234 -11.857 -7.411 1.00 74.21 H new ATOM 0 HB3 PRO A 9 15.547 -10.424 -6.672 1.00 74.21 H new ATOM 0 HG2 PRO A 9 14.359 -12.224 -8.775 1.00 14.24 H new ATOM 0 HG3 PRO A 9 13.590 -11.523 -7.366 1.00 14.24 H new ATOM 0 HD2 PRO A 9 13.268 -10.450 -9.848 1.00 24.13 H new ATOM 0 HD3 PRO A 9 13.259 -9.448 -8.411 1.00 24.13 H new ATOM 149 N GLU A 10 18.425 -11.133 -9.190 1.00 14.42 N ATOM 150 CA GLU A 10 18.914 -10.554 -7.944 1.00 43.43 C ATOM 151 C GLU A 10 19.379 -9.116 -8.158 1.00 63.04 C ATOM 152 O GLU A 10 20.361 -8.868 -8.857 1.00 1.23 O ATOM 153 CB GLU A 10 20.062 -11.394 -7.382 1.00 65.30 C ATOM 154 CG GLU A 10 19.891 -11.755 -5.916 1.00 25.10 C ATOM 155 CD GLU A 10 20.115 -10.572 -4.994 1.00 52.01 C ATOM 156 OE1 GLU A 10 21.189 -9.942 -5.089 1.00 12.53 O ATOM 157 OE2 GLU A 10 19.217 -10.277 -4.178 1.00 53.35 O ATOM 0 H GLU A 10 19.117 -11.679 -9.703 1.00 14.42 H new ATOM 0 HA GLU A 10 18.092 -10.549 -7.228 1.00 43.43 H new ATOM 0 HB2 GLU A 10 20.150 -12.311 -7.965 1.00 65.30 H new ATOM 0 HB3 GLU A 10 20.996 -10.846 -7.506 1.00 65.30 H new ATOM 0 HG2 GLU A 10 18.887 -12.149 -5.757 1.00 25.10 H new ATOM 0 HG3 GLU A 10 20.590 -12.550 -5.657 1.00 25.10 H new ATOM 164 N ASN A 11 18.665 -8.173 -7.552 1.00 44.01 N ATOM 165 CA ASN A 11 19.004 -6.760 -7.677 1.00 15.22 C ATOM 166 C ASN A 11 19.409 -6.422 -9.108 1.00 51.33 C ATOM 167 O ASN A 11 20.578 -6.156 -9.388 1.00 2.53 O ATOM 168 CB ASN A 11 20.137 -6.398 -6.715 1.00 22.40 C ATOM 169 CG ASN A 11 20.058 -4.960 -6.242 1.00 14.30 C ATOM 170 OD1 ASN A 11 18.985 -4.356 -6.232 1.00 74.25 O ATOM 171 ND2 ASN A 11 21.197 -4.403 -5.847 1.00 34.23 N ATOM 0 H ASN A 11 17.849 -8.361 -6.970 1.00 44.01 H new ATOM 0 HA ASN A 11 18.120 -6.176 -7.421 1.00 15.22 H new ATOM 0 HB2 ASN A 11 20.104 -7.063 -5.852 1.00 22.40 H new ATOM 0 HB3 ASN A 11 21.095 -6.563 -7.208 1.00 22.40 H new ATOM 0 HD21 ASN A 11 21.205 -3.437 -5.519 1.00 34.23 H new ATOM 0 HD22 ASN A 11 22.063 -4.941 -5.872 1.00 34.23 H new ATOM 178 N CYS A 12 18.435 -6.433 -10.012 1.00 35.53 N ATOM 179 CA CYS A 12 18.688 -6.128 -11.415 1.00 30.25 C ATOM 180 C CYS A 12 17.606 -5.210 -11.976 1.00 32.34 C ATOM 181 O CYS A 12 16.414 -5.432 -11.758 1.00 44.24 O ATOM 182 CB CYS A 12 18.754 -7.418 -12.235 1.00 11.11 C ATOM 183 SG CYS A 12 20.435 -7.875 -12.767 1.00 70.43 S ATOM 0 H CYS A 12 17.462 -6.650 -9.797 1.00 35.53 H new ATOM 0 HA CYS A 12 19.647 -5.613 -11.482 1.00 30.25 H new ATOM 0 HB2 CYS A 12 18.337 -8.233 -11.644 1.00 11.11 H new ATOM 0 HB3 CYS A 12 18.123 -7.308 -13.117 1.00 11.11 H new ATOM 188 N VAL A 13 18.029 -4.179 -12.699 1.00 42.40 N ATOM 189 CA VAL A 13 17.097 -3.227 -13.293 1.00 23.41 C ATOM 190 C VAL A 13 16.406 -3.825 -14.513 1.00 52.53 C ATOM 191 O VAL A 13 16.861 -4.823 -15.071 1.00 60.40 O ATOM 192 CB VAL A 13 17.811 -1.926 -13.706 1.00 35.20 C ATOM 193 CG1 VAL A 13 18.534 -1.313 -12.517 1.00 13.33 C ATOM 194 CG2 VAL A 13 18.777 -2.189 -14.851 1.00 24.45 C ATOM 0 H VAL A 13 19.012 -3.981 -12.888 1.00 42.40 H new ATOM 0 HA VAL A 13 16.351 -2.997 -12.533 1.00 23.41 H new ATOM 0 HB VAL A 13 17.061 -1.214 -14.050 1.00 35.20 H new ATOM 0 HG11 VAL A 13 19.032 -0.395 -12.828 1.00 13.33 H new ATOM 0 HG12 VAL A 13 17.814 -1.086 -11.731 1.00 13.33 H new ATOM 0 HG13 VAL A 13 19.275 -2.018 -12.139 1.00 13.33 H new ATOM 0 HG21 VAL A 13 19.273 -1.259 -15.130 1.00 24.45 H new ATOM 0 HG22 VAL A 13 19.524 -2.918 -14.537 1.00 24.45 H new ATOM 0 HG23 VAL A 13 18.228 -2.579 -15.708 1.00 24.45 H new ATOM 204 N TYR A 14 15.304 -3.206 -14.924 1.00 21.25 N ATOM 205 CA TYR A 14 14.548 -3.677 -16.078 1.00 32.55 C ATOM 206 C TYR A 14 14.503 -2.614 -17.171 1.00 34.14 C ATOM 207 O TYR A 14 13.723 -1.665 -17.096 1.00 73.40 O ATOM 208 CB TYR A 14 13.126 -4.057 -15.661 1.00 72.41 C ATOM 209 CG TYR A 14 12.817 -5.527 -15.833 1.00 72.55 C ATOM 210 CD1 TYR A 14 13.115 -6.185 -17.021 1.00 34.44 C ATOM 211 CD2 TYR A 14 12.226 -6.258 -14.810 1.00 63.30 C ATOM 212 CE1 TYR A 14 12.833 -7.528 -17.183 1.00 65.21 C ATOM 213 CE2 TYR A 14 11.943 -7.602 -14.963 1.00 50.40 C ATOM 214 CZ TYR A 14 12.248 -8.232 -16.151 1.00 42.03 C ATOM 215 OH TYR A 14 11.966 -9.570 -16.308 1.00 42.31 O ATOM 0 H TYR A 14 14.915 -2.377 -14.475 1.00 21.25 H new ATOM 0 HA TYR A 14 15.051 -4.559 -16.475 1.00 32.55 H new ATOM 0 HB2 TYR A 14 12.977 -3.783 -14.617 1.00 72.41 H new ATOM 0 HB3 TYR A 14 12.416 -3.474 -16.248 1.00 72.41 H new ATOM 0 HD1 TYR A 14 13.574 -5.637 -17.831 1.00 34.44 H new ATOM 0 HD2 TYR A 14 11.984 -5.767 -13.879 1.00 63.30 H new ATOM 0 HE1 TYR A 14 13.069 -8.024 -18.113 1.00 65.21 H new ATOM 0 HE2 TYR A 14 11.485 -8.156 -14.157 1.00 50.40 H new ATOM 0 HH TYR A 14 11.557 -9.917 -15.488 1.00 42.31 H new ATOM 225 N GLU A 15 15.345 -2.782 -18.185 1.00 41.42 N ATOM 226 CA GLU A 15 15.402 -1.836 -19.294 1.00 72.41 C ATOM 227 C GLU A 15 14.261 -2.082 -20.277 1.00 54.31 C ATOM 228 O GLU A 15 14.102 -3.186 -20.798 1.00 55.03 O ATOM 229 CB GLU A 15 16.745 -1.945 -20.018 1.00 64.41 C ATOM 230 CG GLU A 15 17.002 -3.316 -20.621 1.00 62.14 C ATOM 231 CD GLU A 15 18.441 -3.498 -21.064 1.00 70.24 C ATOM 232 OE1 GLU A 15 19.340 -2.941 -20.401 1.00 25.45 O ATOM 233 OE2 GLU A 15 18.668 -4.197 -22.074 1.00 55.33 O ATOM 0 H GLU A 15 15.996 -3.563 -18.262 1.00 41.42 H new ATOM 0 HA GLU A 15 15.298 -0.831 -18.886 1.00 72.41 H new ATOM 0 HB2 GLU A 15 16.783 -1.196 -20.809 1.00 64.41 H new ATOM 0 HB3 GLU A 15 17.546 -1.710 -19.317 1.00 64.41 H new ATOM 0 HG2 GLU A 15 16.751 -4.084 -19.889 1.00 62.14 H new ATOM 0 HG3 GLU A 15 16.341 -3.463 -21.475 1.00 62.14 H new ATOM 240 N CYS A 16 13.468 -1.044 -20.525 1.00 62.42 N ATOM 241 CA CYS A 16 12.341 -1.145 -21.444 1.00 33.30 C ATOM 242 C CYS A 16 12.742 -0.703 -22.848 1.00 63.54 C ATOM 243 O CYS A 16 13.858 -0.233 -23.067 1.00 54.34 O ATOM 244 CB CYS A 16 11.171 -0.294 -20.945 1.00 23.53 C ATOM 245 SG CYS A 16 9.833 -1.254 -20.165 1.00 4.11 S ATOM 0 H CYS A 16 13.586 -0.123 -20.102 1.00 62.42 H new ATOM 0 HA CYS A 16 12.031 -2.189 -21.485 1.00 33.30 H new ATOM 0 HB2 CYS A 16 11.546 0.435 -20.227 1.00 23.53 H new ATOM 0 HB3 CYS A 16 10.760 0.267 -21.784 1.00 23.53 H new ATOM 250 N GLY A 17 11.824 -0.859 -23.797 1.00 72.02 N ATOM 251 CA GLY A 17 12.100 -0.472 -25.168 1.00 44.41 C ATOM 252 C GLY A 17 12.136 -1.659 -26.110 1.00 53.41 C ATOM 253 O GLY A 17 11.795 -1.536 -27.287 1.00 14.31 O ATOM 0 H GLY A 17 10.894 -1.247 -23.641 1.00 72.02 H new ATOM 0 HA2 GLY A 17 11.338 0.231 -25.504 1.00 44.41 H new ATOM 0 HA3 GLY A 17 13.056 0.050 -25.209 1.00 44.41 H new ATOM 257 N ILE A 18 12.551 -2.810 -25.593 1.00 73.10 N ATOM 258 CA ILE A 18 12.630 -4.023 -26.397 1.00 32.51 C ATOM 259 C ILE A 18 11.357 -4.853 -26.266 1.00 61.24 C ATOM 260 O ILE A 18 10.900 -5.466 -27.232 1.00 14.30 O ATOM 261 CB ILE A 18 13.837 -4.889 -25.992 1.00 24.31 C ATOM 262 CG1 ILE A 18 15.124 -4.062 -26.037 1.00 72.12 C ATOM 263 CG2 ILE A 18 13.949 -6.102 -26.903 1.00 71.25 C ATOM 264 CD1 ILE A 18 15.434 -3.501 -27.407 1.00 72.55 C ATOM 0 H ILE A 18 12.838 -2.928 -24.621 1.00 73.10 H new ATOM 0 HA ILE A 18 12.751 -3.707 -27.433 1.00 32.51 H new ATOM 0 HB ILE A 18 13.687 -5.239 -24.971 1.00 24.31 H new ATOM 0 HG12 ILE A 18 15.043 -3.240 -25.326 1.00 72.12 H new ATOM 0 HG13 ILE A 18 15.958 -4.684 -25.711 1.00 72.12 H new ATOM 0 HG21 ILE A 18 14.807 -6.704 -26.604 1.00 71.25 H new ATOM 0 HG22 ILE A 18 13.041 -6.700 -26.825 1.00 71.25 H new ATOM 0 HG23 ILE A 18 14.079 -5.772 -27.934 1.00 71.25 H new ATOM 0 HD11 ILE A 18 16.359 -2.926 -27.364 1.00 72.55 H new ATOM 0 HD12 ILE A 18 15.548 -4.319 -28.118 1.00 72.55 H new ATOM 0 HD13 ILE A 18 14.619 -2.852 -27.728 1.00 72.55 H new ATOM 276 N THR A 19 10.787 -4.868 -25.065 1.00 62.04 N ATOM 277 CA THR A 19 9.567 -5.622 -24.808 1.00 14.52 C ATOM 278 C THR A 19 8.665 -4.888 -23.821 1.00 42.24 C ATOM 279 O THR A 19 8.462 -5.343 -22.696 1.00 73.35 O ATOM 280 CB THR A 19 9.879 -7.025 -24.255 1.00 12.25 C ATOM 281 OG1 THR A 19 8.669 -7.666 -23.835 1.00 23.21 O ATOM 282 CG2 THR A 19 10.847 -6.942 -23.084 1.00 42.13 C ATOM 0 H THR A 19 11.151 -4.366 -24.255 1.00 62.04 H new ATOM 0 HA THR A 19 9.051 -5.723 -25.763 1.00 14.52 H new ATOM 0 HB THR A 19 10.343 -7.610 -25.049 1.00 12.25 H new ATOM 0 HG1 THR A 19 8.242 -7.131 -23.134 1.00 23.21 H new ATOM 0 HG21 THR A 19 11.053 -7.945 -22.710 1.00 42.13 H new ATOM 0 HG22 THR A 19 11.778 -6.480 -23.413 1.00 42.13 H new ATOM 0 HG23 THR A 19 10.405 -6.342 -22.289 1.00 42.13 H new ATOM 290 N GLN A 20 8.128 -3.751 -24.251 1.00 53.31 N ATOM 291 CA GLN A 20 7.248 -2.954 -23.404 1.00 74.40 C ATOM 292 C GLN A 20 6.127 -3.812 -22.825 1.00 24.14 C ATOM 293 O GLN A 20 5.228 -4.245 -23.545 1.00 61.41 O ATOM 294 CB GLN A 20 6.655 -1.790 -24.200 1.00 60.30 C ATOM 295 CG GLN A 20 5.595 -1.010 -23.439 1.00 44.01 C ATOM 296 CD GLN A 20 5.685 0.484 -23.680 1.00 43.00 C ATOM 297 OE1 GLN A 20 6.225 0.930 -24.693 1.00 71.32 O ATOM 298 NE2 GLN A 20 5.155 1.267 -22.748 1.00 4.32 N ATOM 0 H GLN A 20 8.287 -3.361 -25.180 1.00 53.31 H new ATOM 0 HA GLN A 20 7.841 -2.557 -22.580 1.00 74.40 H new ATOM 0 HB2 GLN A 20 7.458 -1.111 -24.487 1.00 60.30 H new ATOM 0 HB3 GLN A 20 6.219 -2.176 -25.121 1.00 60.30 H new ATOM 0 HG2 GLN A 20 4.607 -1.363 -23.735 1.00 44.01 H new ATOM 0 HG3 GLN A 20 5.699 -1.209 -22.372 1.00 44.01 H new ATOM 0 HE21 GLN A 20 4.717 0.855 -21.924 1.00 4.32 H new ATOM 0 HE22 GLN A 20 5.186 2.281 -22.856 1.00 4.32 H new ATOM 307 N ASP A 21 6.189 -4.053 -21.520 1.00 34.42 N ATOM 308 CA ASP A 21 5.179 -4.859 -20.843 1.00 52.00 C ATOM 309 C ASP A 21 5.229 -4.638 -19.334 1.00 71.24 C ATOM 310 O ASP A 21 4.845 -5.511 -18.555 1.00 63.23 O ATOM 311 CB ASP A 21 5.381 -6.341 -21.161 1.00 60.30 C ATOM 312 CG ASP A 21 6.465 -6.973 -20.310 1.00 61.33 C ATOM 313 OD1 ASP A 21 7.625 -6.518 -20.393 1.00 24.30 O ATOM 314 OD2 ASP A 21 6.153 -7.922 -19.561 1.00 62.33 O ATOM 0 H ASP A 21 6.927 -3.702 -20.910 1.00 34.42 H new ATOM 0 HA ASP A 21 4.199 -4.548 -21.205 1.00 52.00 H new ATOM 0 HB2 ASP A 21 4.443 -6.874 -21.005 1.00 60.30 H new ATOM 0 HB3 ASP A 21 5.639 -6.452 -22.214 1.00 60.30 H new ATOM 319 N CYS A 22 5.705 -3.466 -18.929 1.00 2.13 N ATOM 320 CA CYS A 22 5.808 -3.130 -17.514 1.00 14.12 C ATOM 321 C CYS A 22 4.453 -3.264 -16.824 1.00 2.54 C ATOM 322 O CYS A 22 4.354 -3.824 -15.733 1.00 74.01 O ATOM 323 CB CYS A 22 6.341 -1.706 -17.344 1.00 13.14 C ATOM 324 SG CYS A 22 7.583 -1.530 -16.023 1.00 64.13 S ATOM 0 H CYS A 22 6.026 -2.732 -19.561 1.00 2.13 H new ATOM 0 HA CYS A 22 6.504 -3.829 -17.049 1.00 14.12 H new ATOM 0 HB2 CYS A 22 6.780 -1.379 -18.287 1.00 13.14 H new ATOM 0 HB3 CYS A 22 5.505 -1.039 -17.133 1.00 13.14 H new ATOM 329 N ASN A 23 3.413 -2.744 -17.468 1.00 21.40 N ATOM 330 CA ASN A 23 2.064 -2.805 -16.917 1.00 24.35 C ATOM 331 C ASN A 23 1.655 -4.248 -16.637 1.00 64.43 C ATOM 332 O ASN A 23 1.042 -4.544 -15.612 1.00 20.53 O ATOM 333 CB ASN A 23 1.067 -2.158 -17.880 1.00 24.21 C ATOM 334 CG ASN A 23 -0.055 -1.441 -17.155 1.00 33.41 C ATOM 335 OD1 ASN A 23 -0.420 -0.320 -17.507 1.00 53.25 O ATOM 336 ND2 ASN A 23 -0.608 -2.088 -16.135 1.00 55.23 N ATOM 0 H ASN A 23 3.479 -2.276 -18.372 1.00 21.40 H new ATOM 0 HA ASN A 23 2.058 -2.255 -15.976 1.00 24.35 H new ATOM 0 HB2 ASN A 23 1.592 -1.450 -18.521 1.00 24.21 H new ATOM 0 HB3 ASN A 23 0.645 -2.924 -18.530 1.00 24.21 H new ATOM 0 HD21 ASN A 23 -1.368 -1.656 -15.609 1.00 55.23 H new ATOM 0 HD22 ASN A 23 -0.273 -3.017 -15.878 1.00 55.23 H new ATOM 343 N LYS A 24 2.000 -5.144 -17.557 1.00 11.52 N ATOM 344 CA LYS A 24 1.671 -6.557 -17.411 1.00 4.44 C ATOM 345 C LYS A 24 2.415 -7.168 -16.228 1.00 32.45 C ATOM 346 O LYS A 24 1.813 -7.821 -15.373 1.00 41.32 O ATOM 347 CB LYS A 24 2.018 -7.317 -18.693 1.00 34.13 C ATOM 348 CG LYS A 24 1.109 -8.505 -18.959 1.00 41.24 C ATOM 349 CD LYS A 24 -0.170 -8.082 -19.662 1.00 11.41 C ATOM 350 CE LYS A 24 -1.400 -8.642 -18.965 1.00 33.30 C ATOM 351 NZ LYS A 24 -2.631 -7.881 -19.315 1.00 13.33 N ATOM 0 H LYS A 24 2.508 -4.916 -18.412 1.00 11.52 H new ATOM 0 HA LYS A 24 0.600 -6.639 -17.226 1.00 4.44 H new ATOM 0 HB2 LYS A 24 1.963 -6.631 -19.538 1.00 34.13 H new ATOM 0 HB3 LYS A 24 3.049 -7.665 -18.632 1.00 34.13 H new ATOM 0 HG2 LYS A 24 1.636 -9.238 -19.570 1.00 41.24 H new ATOM 0 HG3 LYS A 24 0.863 -8.994 -18.017 1.00 41.24 H new ATOM 0 HD2 LYS A 24 -0.229 -6.994 -19.688 1.00 11.41 H new ATOM 0 HD3 LYS A 24 -0.149 -8.425 -20.696 1.00 11.41 H new ATOM 0 HE2 LYS A 24 -1.529 -9.688 -19.242 1.00 33.30 H new ATOM 0 HE3 LYS A 24 -1.250 -8.614 -17.886 1.00 33.30 H new ATOM 0 HZ1 LYS A 24 -3.447 -8.294 -18.820 1.00 13.33 H new ATOM 0 HZ2 LYS A 24 -2.518 -6.888 -19.028 1.00 13.33 H new ATOM 0 HZ3 LYS A 24 -2.789 -7.929 -20.342 1.00 13.33 H new ATOM 365 N LEU A 25 3.725 -6.953 -16.183 1.00 31.04 N ATOM 366 CA LEU A 25 4.551 -7.482 -15.103 1.00 34.24 C ATOM 367 C LEU A 25 4.103 -6.929 -13.754 1.00 12.04 C ATOM 368 O LEU A 25 3.859 -7.683 -12.811 1.00 64.10 O ATOM 369 CB LEU A 25 6.022 -7.140 -15.344 1.00 53.42 C ATOM 370 CG LEU A 25 7.039 -7.929 -14.519 1.00 11.40 C ATOM 371 CD1 LEU A 25 7.255 -9.310 -15.117 1.00 34.23 C ATOM 372 CD2 LEU A 25 8.356 -7.172 -14.431 1.00 42.11 C ATOM 0 H LEU A 25 4.238 -6.416 -16.882 1.00 31.04 H new ATOM 0 HA LEU A 25 4.435 -8.566 -15.088 1.00 34.24 H new ATOM 0 HB2 LEU A 25 6.242 -7.296 -16.400 1.00 53.42 H new ATOM 0 HB3 LEU A 25 6.165 -6.079 -15.142 1.00 53.42 H new ATOM 0 HG LEU A 25 6.644 -8.050 -13.510 1.00 11.40 H new ATOM 0 HD11 LEU A 25 7.982 -9.857 -14.516 1.00 34.23 H new ATOM 0 HD12 LEU A 25 6.310 -9.854 -15.127 1.00 34.23 H new ATOM 0 HD13 LEU A 25 7.628 -9.211 -16.136 1.00 34.23 H new ATOM 0 HD21 LEU A 25 9.068 -7.748 -13.840 1.00 42.11 H new ATOM 0 HD22 LEU A 25 8.756 -7.019 -15.434 1.00 42.11 H new ATOM 0 HD23 LEU A 25 8.189 -6.205 -13.956 1.00 42.11 H new ATOM 384 N CYS A 26 3.994 -5.607 -13.669 1.00 31.44 N ATOM 385 CA CYS A 26 3.573 -4.952 -12.436 1.00 44.11 C ATOM 386 C CYS A 26 2.255 -5.534 -11.933 1.00 4.40 C ATOM 387 O CYS A 26 2.137 -5.917 -10.769 1.00 15.13 O ATOM 388 CB CYS A 26 3.426 -3.446 -12.659 1.00 45.55 C ATOM 389 SG CYS A 26 4.101 -2.424 -11.310 1.00 33.52 S ATOM 0 H CYS A 26 4.191 -4.968 -14.439 1.00 31.44 H new ATOM 0 HA CYS A 26 4.339 -5.128 -11.681 1.00 44.11 H new ATOM 0 HB2 CYS A 26 3.926 -3.177 -13.589 1.00 45.55 H new ATOM 0 HB3 CYS A 26 2.369 -3.210 -12.785 1.00 45.55 H new ATOM 394 N THR A 27 1.266 -5.597 -12.819 1.00 42.30 N ATOM 395 CA THR A 27 -0.043 -6.130 -12.466 1.00 33.31 C ATOM 396 C THR A 27 0.061 -7.576 -11.995 1.00 20.24 C ATOM 397 O THR A 27 -0.465 -7.934 -10.941 1.00 65.11 O ATOM 398 CB THR A 27 -1.018 -6.059 -13.656 1.00 75.31 C ATOM 399 OG1 THR A 27 -0.390 -6.573 -14.836 1.00 2.32 O ATOM 400 CG2 THR A 27 -1.472 -4.628 -13.899 1.00 53.12 C ATOM 0 H THR A 27 1.347 -5.285 -13.787 1.00 42.30 H new ATOM 0 HA THR A 27 -0.427 -5.513 -11.654 1.00 33.31 H new ATOM 0 HB THR A 27 -1.892 -6.665 -13.417 1.00 75.31 H new ATOM 0 HG1 THR A 27 0.084 -5.849 -15.296 1.00 2.32 H new ATOM 0 HG21 THR A 27 -2.160 -4.603 -14.744 1.00 53.12 H new ATOM 0 HG22 THR A 27 -1.976 -4.250 -13.010 1.00 53.12 H new ATOM 0 HG23 THR A 27 -0.606 -4.004 -14.118 1.00 53.12 H new ATOM 408 N GLU A 28 0.743 -8.403 -12.781 1.00 41.44 N ATOM 409 CA GLU A 28 0.915 -9.810 -12.443 1.00 25.41 C ATOM 410 C GLU A 28 1.590 -9.964 -11.083 1.00 30.33 C ATOM 411 O GLU A 28 1.360 -10.941 -10.371 1.00 61.33 O ATOM 412 CB GLU A 28 1.743 -10.519 -13.518 1.00 13.23 C ATOM 413 CG GLU A 28 3.164 -10.835 -13.082 1.00 74.11 C ATOM 414 CD GLU A 28 4.044 -11.274 -14.236 1.00 74.13 C ATOM 415 OE1 GLU A 28 3.561 -11.259 -15.388 1.00 44.33 O ATOM 416 OE2 GLU A 28 5.213 -11.633 -13.988 1.00 64.21 O ATOM 0 H GLU A 28 1.185 -8.122 -13.656 1.00 41.44 H new ATOM 0 HA GLU A 28 -0.073 -10.268 -12.394 1.00 25.41 H new ATOM 0 HB2 GLU A 28 1.243 -11.446 -13.797 1.00 13.23 H new ATOM 0 HB3 GLU A 28 1.776 -9.894 -14.410 1.00 13.23 H new ATOM 0 HG2 GLU A 28 3.600 -9.954 -12.612 1.00 74.11 H new ATOM 0 HG3 GLU A 28 3.142 -11.621 -12.327 1.00 74.11 H new ATOM 423 N ASN A 29 2.424 -8.992 -10.729 1.00 41.11 N ATOM 424 CA ASN A 29 3.133 -9.019 -9.455 1.00 65.11 C ATOM 425 C ASN A 29 2.200 -8.656 -8.305 1.00 14.14 C ATOM 426 O ASN A 29 2.441 -9.023 -7.156 1.00 3.15 O ATOM 427 CB ASN A 29 4.320 -8.054 -9.488 1.00 2.13 C ATOM 428 CG ASN A 29 5.623 -8.750 -9.831 1.00 32.53 C ATOM 429 OD1 ASN A 29 6.454 -9.001 -8.958 1.00 20.32 O ATOM 430 ND2 ASN A 29 5.806 -9.066 -11.107 1.00 64.34 N ATOM 0 H ASN A 29 2.626 -8.176 -11.306 1.00 41.11 H new ATOM 0 HA ASN A 29 3.501 -10.032 -9.294 1.00 65.11 H new ATOM 0 HB2 ASN A 29 4.127 -7.270 -10.220 1.00 2.13 H new ATOM 0 HB3 ASN A 29 4.416 -7.567 -8.517 1.00 2.13 H new ATOM 0 HD21 ASN A 29 6.663 -9.536 -11.398 1.00 64.34 H new ATOM 0 HD22 ASN A 29 5.090 -8.838 -11.797 1.00 64.34 H new ATOM 437 N GLY A 30 1.131 -7.932 -8.623 1.00 75.20 N ATOM 438 CA GLY A 30 0.176 -7.532 -7.606 1.00 1.31 C ATOM 439 C GLY A 30 0.279 -6.059 -7.262 1.00 51.01 C ATOM 440 O GLY A 30 -0.193 -5.626 -6.212 1.00 12.45 O ATOM 0 H GLY A 30 0.909 -7.615 -9.567 1.00 75.20 H new ATOM 0 HA2 GLY A 30 -0.834 -7.751 -7.954 1.00 1.31 H new ATOM 0 HA3 GLY A 30 0.339 -8.125 -6.706 1.00 1.31 H new ATOM 444 N ALA A 31 0.899 -5.288 -8.149 1.00 42.21 N ATOM 445 CA ALA A 31 1.062 -3.855 -7.934 1.00 63.42 C ATOM 446 C ALA A 31 -0.123 -3.078 -8.495 1.00 53.43 C ATOM 447 O ALA A 31 -1.021 -3.655 -9.107 1.00 54.43 O ATOM 448 CB ALA A 31 2.360 -3.371 -8.565 1.00 34.42 C ATOM 0 H ALA A 31 1.297 -5.631 -9.023 1.00 42.21 H new ATOM 0 HA ALA A 31 1.104 -3.676 -6.860 1.00 63.42 H new ATOM 0 HB1 ALA A 31 2.469 -2.300 -8.397 1.00 34.42 H new ATOM 0 HB2 ALA A 31 3.202 -3.896 -8.114 1.00 34.42 H new ATOM 0 HB3 ALA A 31 2.340 -3.570 -9.637 1.00 34.42 H new ATOM 454 N GLU A 32 -0.119 -1.766 -8.282 1.00 10.54 N ATOM 455 CA GLU A 32 -1.196 -0.910 -8.765 1.00 51.15 C ATOM 456 C GLU A 32 -0.996 -0.563 -10.238 1.00 63.20 C ATOM 457 O GLU A 32 -1.753 -1.008 -11.100 1.00 73.22 O ATOM 458 CB GLU A 32 -1.272 0.372 -7.934 1.00 5.30 C ATOM 459 CG GLU A 32 -2.571 1.139 -8.114 1.00 31.22 C ATOM 460 CD GLU A 32 -2.383 2.640 -8.007 1.00 63.34 C ATOM 461 OE1 GLU A 32 -1.395 3.154 -8.572 1.00 3.41 O ATOM 462 OE2 GLU A 32 -3.222 3.299 -7.360 1.00 13.11 O ATOM 0 H GLU A 32 0.618 -1.273 -7.778 1.00 10.54 H new ATOM 0 HA GLU A 32 -2.133 -1.457 -8.662 1.00 51.15 H new ATOM 0 HB2 GLU A 32 -1.152 0.119 -6.880 1.00 5.30 H new ATOM 0 HB3 GLU A 32 -0.438 1.019 -8.203 1.00 5.30 H new ATOM 0 HG2 GLU A 32 -2.998 0.899 -9.088 1.00 31.22 H new ATOM 0 HG3 GLU A 32 -3.289 0.812 -7.362 1.00 31.22 H new ATOM 469 N SER A 33 0.030 0.235 -10.518 1.00 32.23 N ATOM 470 CA SER A 33 0.328 0.646 -11.885 1.00 21.53 C ATOM 471 C SER A 33 1.787 0.365 -12.230 1.00 64.31 C ATOM 472 O SER A 33 2.644 0.300 -11.350 1.00 1.14 O ATOM 473 CB SER A 33 0.026 2.134 -12.070 1.00 75.31 C ATOM 474 OG SER A 33 -1.018 2.329 -13.009 1.00 30.13 O ATOM 0 H SER A 33 0.669 0.610 -9.816 1.00 32.23 H new ATOM 0 HA SER A 33 -0.305 0.068 -12.558 1.00 21.53 H new ATOM 0 HB2 SER A 33 -0.255 2.573 -11.113 1.00 75.31 H new ATOM 0 HB3 SER A 33 0.924 2.652 -12.407 1.00 75.31 H new ATOM 0 HG SER A 33 -1.194 3.288 -13.109 1.00 30.13 H new ATOM 480 N GLY A 34 2.062 0.198 -13.520 1.00 43.44 N ATOM 481 CA GLY A 34 3.418 -0.074 -13.961 1.00 10.30 C ATOM 482 C GLY A 34 3.644 0.306 -15.411 1.00 75.41 C ATOM 483 O GLY A 34 2.881 -0.096 -16.291 1.00 2.42 O ATOM 0 H GLY A 34 1.370 0.246 -14.268 1.00 43.44 H new ATOM 0 HA2 GLY A 34 4.118 0.475 -13.331 1.00 10.30 H new ATOM 0 HA3 GLY A 34 3.634 -1.134 -13.829 1.00 10.30 H new ATOM 487 N TYR A 35 4.692 1.082 -15.662 1.00 31.24 N ATOM 488 CA TYR A 35 5.013 1.519 -17.015 1.00 23.01 C ATOM 489 C TYR A 35 6.521 1.668 -17.196 1.00 12.23 C ATOM 490 O TYR A 35 7.288 1.542 -16.241 1.00 43.20 O ATOM 491 CB TYR A 35 4.318 2.846 -17.323 1.00 74.24 C ATOM 492 CG TYR A 35 4.413 3.855 -16.202 1.00 24.05 C ATOM 493 CD1 TYR A 35 5.616 4.489 -15.912 1.00 32.52 C ATOM 494 CD2 TYR A 35 3.302 4.174 -15.431 1.00 5.32 C ATOM 495 CE1 TYR A 35 5.708 5.411 -14.887 1.00 64.33 C ATOM 496 CE2 TYR A 35 3.386 5.096 -14.405 1.00 55.35 C ATOM 497 CZ TYR A 35 4.591 5.712 -14.137 1.00 74.54 C ATOM 498 OH TYR A 35 4.678 6.629 -13.116 1.00 13.50 O ATOM 0 H TYR A 35 5.334 1.422 -14.946 1.00 31.24 H new ATOM 0 HA TYR A 35 4.655 0.759 -17.710 1.00 23.01 H new ATOM 0 HB2 TYR A 35 4.756 3.275 -18.224 1.00 74.24 H new ATOM 0 HB3 TYR A 35 3.267 2.654 -17.539 1.00 74.24 H new ATOM 0 HD1 TYR A 35 6.493 4.257 -16.498 1.00 32.52 H new ATOM 0 HD2 TYR A 35 2.357 3.693 -15.637 1.00 5.32 H new ATOM 0 HE1 TYR A 35 6.650 5.894 -14.674 1.00 64.33 H new ATOM 0 HE2 TYR A 35 2.513 5.333 -13.816 1.00 55.35 H new ATOM 0 HH TYR A 35 5.345 6.329 -12.463 1.00 13.50 H new ATOM 508 N CYS A 36 6.938 1.938 -18.428 1.00 3.30 N ATOM 509 CA CYS A 36 8.353 2.106 -18.737 1.00 62.51 C ATOM 510 C CYS A 36 8.775 3.564 -18.581 1.00 63.34 C ATOM 511 O CYS A 36 8.257 4.446 -19.265 1.00 70.11 O ATOM 512 CB CYS A 36 8.646 1.628 -20.161 1.00 34.32 C ATOM 513 SG CYS A 36 8.221 -0.118 -20.461 1.00 24.31 S ATOM 0 H CYS A 36 6.316 2.045 -19.229 1.00 3.30 H new ATOM 0 HA CYS A 36 8.927 1.503 -18.033 1.00 62.51 H new ATOM 0 HB2 CYS A 36 8.093 2.251 -20.863 1.00 34.32 H new ATOM 0 HB3 CYS A 36 9.705 1.774 -20.371 1.00 34.32 H new ATOM 518 N GLN A 37 9.719 3.807 -17.678 1.00 1.51 N ATOM 519 CA GLN A 37 10.210 5.158 -17.432 1.00 42.34 C ATOM 520 C GLN A 37 11.436 5.456 -18.290 1.00 55.23 C ATOM 521 O GLN A 37 12.571 5.249 -17.861 1.00 54.13 O ATOM 522 CB GLN A 37 10.553 5.338 -15.953 1.00 21.14 C ATOM 523 CG GLN A 37 9.594 6.256 -15.213 1.00 12.40 C ATOM 524 CD GLN A 37 9.769 7.713 -15.595 1.00 72.13 C ATOM 525 OE1 GLN A 37 9.222 8.174 -16.598 1.00 22.41 O ATOM 526 NE2 GLN A 37 10.534 8.447 -14.796 1.00 40.21 N ATOM 0 H GLN A 37 10.159 3.087 -17.105 1.00 1.51 H new ATOM 0 HA GLN A 37 9.420 5.859 -17.702 1.00 42.34 H new ATOM 0 HB2 GLN A 37 10.555 4.362 -15.468 1.00 21.14 H new ATOM 0 HB3 GLN A 37 11.563 5.738 -15.869 1.00 21.14 H new ATOM 0 HG2 GLN A 37 8.569 5.950 -15.423 1.00 12.40 H new ATOM 0 HG3 GLN A 37 9.746 6.145 -14.139 1.00 12.40 H new ATOM 0 HE21 GLN A 37 10.968 8.024 -13.975 1.00 40.21 H new ATOM 0 HE22 GLN A 37 10.688 9.434 -15.003 1.00 40.21 H new ATOM 535 N TRP A 38 11.198 5.943 -19.503 1.00 61.50 N ATOM 536 CA TRP A 38 12.283 6.269 -20.421 1.00 62.55 C ATOM 537 C TRP A 38 12.828 7.666 -20.147 1.00 33.14 C ATOM 538 O TRP A 38 12.417 8.638 -20.779 1.00 32.12 O ATOM 539 CB TRP A 38 11.800 6.172 -21.869 1.00 73.14 C ATOM 540 CG TRP A 38 12.263 4.930 -22.569 1.00 24.02 C ATOM 541 CD1 TRP A 38 12.563 3.728 -21.993 1.00 13.31 C ATOM 542 CD2 TRP A 38 12.482 4.769 -23.974 1.00 43.15 C ATOM 543 NE1 TRP A 38 12.955 2.830 -22.956 1.00 54.11 N ATOM 544 CE2 TRP A 38 12.913 3.444 -24.180 1.00 71.30 C ATOM 545 CE3 TRP A 38 12.354 5.615 -25.080 1.00 25.34 C ATOM 546 CZ2 TRP A 38 13.217 2.948 -25.445 1.00 74.21 C ATOM 547 CZ3 TRP A 38 12.657 5.121 -26.334 1.00 54.15 C ATOM 548 CH2 TRP A 38 13.083 3.798 -26.509 1.00 72.32 C ATOM 0 H TRP A 38 10.264 6.121 -19.873 1.00 61.50 H new ATOM 0 HA TRP A 38 13.086 5.549 -20.264 1.00 62.55 H new ATOM 0 HB2 TRP A 38 10.711 6.204 -21.884 1.00 73.14 H new ATOM 0 HB3 TRP A 38 12.152 7.044 -22.421 1.00 73.14 H new ATOM 0 HD1 TRP A 38 12.501 3.515 -20.936 1.00 13.31 H new ATOM 0 HE1 TRP A 38 13.232 1.863 -22.787 1.00 54.11 H new ATOM 0 HE3 TRP A 38 12.024 6.636 -24.956 1.00 25.34 H new ATOM 0 HZ2 TRP A 38 13.547 1.929 -25.582 1.00 74.21 H new ATOM 0 HZ3 TRP A 38 12.564 5.766 -27.195 1.00 54.15 H new ATOM 0 HH2 TRP A 38 13.310 3.442 -27.503 1.00 72.32 H new ATOM 559 N GLY A 39 13.756 7.759 -19.199 1.00 13.22 N ATOM 560 CA GLY A 39 14.341 9.043 -18.858 1.00 21.54 C ATOM 561 C GLY A 39 14.300 9.321 -17.368 1.00 61.21 C ATOM 562 O GLY A 39 13.493 10.124 -16.901 1.00 70.55 O ATOM 0 H GLY A 39 14.113 6.969 -18.662 1.00 13.22 H new ATOM 0 HA2 GLY A 39 15.375 9.070 -19.201 1.00 21.54 H new ATOM 0 HA3 GLY A 39 13.808 9.833 -19.387 1.00 21.54 H new ATOM 566 N GLY A 40 15.173 8.654 -16.619 1.00 33.14 N ATOM 567 CA GLY A 40 15.215 8.846 -15.181 1.00 11.12 C ATOM 568 C GLY A 40 16.627 8.798 -14.631 1.00 15.24 C ATOM 569 O GLY A 40 17.595 8.995 -15.365 1.00 53.14 O ATOM 0 H GLY A 40 15.851 7.985 -16.982 1.00 33.14 H new ATOM 0 HA2 GLY A 40 14.764 9.807 -14.932 1.00 11.12 H new ATOM 0 HA3 GLY A 40 14.613 8.077 -14.697 1.00 11.12 H new ATOM 573 N LYS A 41 16.746 8.537 -13.333 1.00 54.42 N ATOM 574 CA LYS A 41 18.049 8.465 -12.683 1.00 71.54 C ATOM 575 C LYS A 41 18.981 7.521 -13.437 1.00 52.34 C ATOM 576 O LYS A 41 20.094 7.897 -13.807 1.00 34.20 O ATOM 577 CB LYS A 41 17.894 7.996 -11.235 1.00 30.51 C ATOM 578 CG LYS A 41 18.726 8.793 -10.245 1.00 72.22 C ATOM 579 CD LYS A 41 18.064 8.849 -8.879 1.00 21.25 C ATOM 580 CE LYS A 41 17.872 10.283 -8.411 1.00 11.33 C ATOM 581 NZ LYS A 41 17.117 10.352 -7.129 1.00 1.31 N ATOM 0 H LYS A 41 15.955 8.372 -12.711 1.00 54.42 H new ATOM 0 HA LYS A 41 18.487 9.463 -12.690 1.00 71.54 H new ATOM 0 HB2 LYS A 41 16.844 8.063 -10.951 1.00 30.51 H new ATOM 0 HB3 LYS A 41 18.176 6.945 -11.170 1.00 30.51 H new ATOM 0 HG2 LYS A 41 19.714 8.343 -10.153 1.00 72.22 H new ATOM 0 HG3 LYS A 41 18.871 9.805 -10.622 1.00 72.22 H new ATOM 0 HD2 LYS A 41 17.098 8.346 -8.921 1.00 21.25 H new ATOM 0 HD3 LYS A 41 18.674 8.308 -8.156 1.00 21.25 H new ATOM 0 HE2 LYS A 41 18.845 10.757 -8.285 1.00 11.33 H new ATOM 0 HE3 LYS A 41 17.339 10.847 -9.177 1.00 11.33 H new ATOM 0 HZ1 LYS A 41 17.007 11.346 -6.844 1.00 1.31 H new ATOM 0 HZ2 LYS A 41 16.178 9.922 -7.255 1.00 1.31 H new ATOM 0 HZ3 LYS A 41 17.638 9.836 -6.391 1.00 1.31 H new ATOM 595 N TYR A 42 18.519 6.297 -13.663 1.00 71.54 N ATOM 596 CA TYR A 42 19.312 5.300 -14.373 1.00 32.53 C ATOM 597 C TYR A 42 18.950 5.269 -15.855 1.00 11.25 C ATOM 598 O TYR A 42 19.126 4.255 -16.528 1.00 21.32 O ATOM 599 CB TYR A 42 19.100 3.916 -13.756 1.00 72.22 C ATOM 600 CG TYR A 42 19.860 3.705 -12.467 1.00 24.54 C ATOM 601 CD1 TYR A 42 21.249 3.642 -12.458 1.00 55.43 C ATOM 602 CD2 TYR A 42 19.191 3.566 -11.257 1.00 3.11 C ATOM 603 CE1 TYR A 42 21.948 3.449 -11.283 1.00 32.23 C ATOM 604 CE2 TYR A 42 19.882 3.374 -10.076 1.00 64.34 C ATOM 605 CZ TYR A 42 21.260 3.316 -10.094 1.00 64.54 C ATOM 606 OH TYR A 42 21.952 3.123 -8.921 1.00 24.43 O ATOM 0 H TYR A 42 17.600 5.971 -13.365 1.00 71.54 H new ATOM 0 HA TYR A 42 20.363 5.576 -14.280 1.00 32.53 H new ATOM 0 HB2 TYR A 42 18.036 3.770 -13.569 1.00 72.22 H new ATOM 0 HB3 TYR A 42 19.404 3.156 -14.476 1.00 72.22 H new ATOM 0 HD1 TYR A 42 21.791 3.746 -13.387 1.00 55.43 H new ATOM 0 HD2 TYR A 42 18.112 3.609 -11.239 1.00 3.11 H new ATOM 0 HE1 TYR A 42 23.027 3.402 -11.294 1.00 32.23 H new ATOM 0 HE2 TYR A 42 19.346 3.270 -9.144 1.00 64.34 H new ATOM 0 HH TYR A 42 21.319 3.050 -8.176 1.00 24.43 H new ATOM 616 N GLY A 43 18.443 6.391 -16.356 1.00 53.33 N ATOM 617 CA GLY A 43 18.064 6.474 -17.755 1.00 30.32 C ATOM 618 C GLY A 43 16.746 5.782 -18.040 1.00 72.03 C ATOM 619 O GLY A 43 15.731 6.082 -17.412 1.00 63.43 O ATOM 0 H GLY A 43 18.288 7.244 -15.819 1.00 53.33 H new ATOM 0 HA2 GLY A 43 17.992 7.522 -18.047 1.00 30.32 H new ATOM 0 HA3 GLY A 43 18.846 6.026 -18.367 1.00 30.32 H new ATOM 623 N ASN A 44 16.760 4.854 -18.992 1.00 51.52 N ATOM 624 CA ASN A 44 15.555 4.120 -19.361 1.00 64.33 C ATOM 625 C ASN A 44 15.358 2.908 -18.455 1.00 64.04 C ATOM 626 O ASN A 44 16.005 1.876 -18.633 1.00 0.14 O ATOM 627 CB ASN A 44 15.634 3.671 -20.822 1.00 1.10 C ATOM 628 CG ASN A 44 16.961 3.016 -21.155 1.00 52.40 C ATOM 629 OD1 ASN A 44 17.976 3.693 -21.318 1.00 41.32 O ATOM 630 ND2 ASN A 44 16.958 1.692 -21.258 1.00 12.43 N ATOM 0 H ASN A 44 17.592 4.593 -19.521 1.00 51.52 H new ATOM 0 HA ASN A 44 14.701 4.786 -19.238 1.00 64.33 H new ATOM 0 HB2 ASN A 44 14.824 2.971 -21.028 1.00 1.10 H new ATOM 0 HB3 ASN A 44 15.484 4.533 -21.473 1.00 1.10 H new ATOM 0 HD21 ASN A 44 17.821 1.196 -21.480 1.00 12.43 H new ATOM 0 HD22 ASN A 44 16.093 1.171 -21.115 1.00 12.43 H new ATOM 637 N ALA A 45 14.460 3.041 -17.485 1.00 3.40 N ATOM 638 CA ALA A 45 14.176 1.957 -16.553 1.00 53.31 C ATOM 639 C ALA A 45 12.676 1.818 -16.314 1.00 1.41 C ATOM 640 O ALA A 45 11.931 2.795 -16.396 1.00 12.12 O ATOM 641 CB ALA A 45 14.903 2.188 -15.237 1.00 11.33 C ATOM 0 H ALA A 45 13.916 3.889 -17.324 1.00 3.40 H new ATOM 0 HA ALA A 45 14.535 1.027 -16.995 1.00 53.31 H new ATOM 0 HB1 ALA A 45 14.682 1.371 -14.551 1.00 11.33 H new ATOM 0 HB2 ALA A 45 15.977 2.230 -15.417 1.00 11.33 H new ATOM 0 HB3 ALA A 45 14.572 3.129 -14.799 1.00 11.33 H new ATOM 647 N CYS A 46 12.239 0.599 -16.019 1.00 23.44 N ATOM 648 CA CYS A 46 10.828 0.331 -15.769 1.00 22.14 C ATOM 649 C CYS A 46 10.409 0.857 -14.399 1.00 1.21 C ATOM 650 O CYS A 46 10.978 0.477 -13.376 1.00 23.22 O ATOM 651 CB CYS A 46 10.549 -1.171 -15.857 1.00 40.24 C ATOM 652 SG CYS A 46 9.354 -1.629 -17.153 1.00 73.43 S ATOM 0 H CYS A 46 12.842 -0.220 -15.947 1.00 23.44 H new ATOM 0 HA CYS A 46 10.245 0.848 -16.532 1.00 22.14 H new ATOM 0 HB2 CYS A 46 11.487 -1.694 -16.041 1.00 40.24 H new ATOM 0 HB3 CYS A 46 10.175 -1.518 -14.894 1.00 40.24 H new ATOM 657 N TRP A 47 9.411 1.733 -14.388 1.00 50.14 N ATOM 658 CA TRP A 47 8.915 2.312 -13.145 1.00 21.33 C ATOM 659 C TRP A 47 7.523 1.784 -12.816 1.00 51.30 C ATOM 660 O TRP A 47 6.740 1.468 -13.713 1.00 24.44 O ATOM 661 CB TRP A 47 8.886 3.838 -13.244 1.00 75.33 C ATOM 662 CG TRP A 47 8.246 4.498 -12.060 1.00 63.13 C ATOM 663 CD1 TRP A 47 6.910 4.690 -11.851 1.00 45.54 C ATOM 664 CD2 TRP A 47 8.916 5.054 -10.924 1.00 4.11 C ATOM 665 NE1 TRP A 47 6.710 5.333 -10.653 1.00 72.15 N ATOM 666 CE2 TRP A 47 7.924 5.566 -10.065 1.00 4.32 C ATOM 667 CE3 TRP A 47 10.257 5.167 -10.547 1.00 43.53 C ATOM 668 CZ2 TRP A 47 8.234 6.182 -8.855 1.00 55.31 C ATOM 669 CZ3 TRP A 47 10.562 5.779 -9.346 1.00 44.45 C ATOM 670 CH2 TRP A 47 9.555 6.280 -8.511 1.00 75.25 C ATOM 0 H TRP A 47 8.929 2.058 -15.226 1.00 50.14 H new ATOM 0 HA TRP A 47 9.592 2.021 -12.342 1.00 21.33 H new ATOM 0 HB2 TRP A 47 9.906 4.208 -13.350 1.00 75.33 H new ATOM 0 HB3 TRP A 47 8.347 4.126 -14.147 1.00 75.33 H new ATOM 0 HD1 TRP A 47 6.126 4.382 -12.527 1.00 45.54 H new ATOM 0 HE1 TRP A 47 5.804 5.594 -10.265 1.00 72.15 H new ATOM 0 HE3 TRP A 47 11.041 4.783 -11.183 1.00 43.53 H new ATOM 0 HZ2 TRP A 47 7.459 6.569 -8.210 1.00 55.31 H new ATOM 0 HZ3 TRP A 47 11.595 5.873 -9.046 1.00 44.45 H new ATOM 0 HH2 TRP A 47 9.826 6.752 -7.578 1.00 75.25 H new ATOM 681 N CYS A 48 7.219 1.692 -11.526 1.00 0.33 N ATOM 682 CA CYS A 48 5.921 1.203 -11.078 1.00 73.13 C ATOM 683 C CYS A 48 5.369 2.075 -9.954 1.00 73.30 C ATOM 684 O CYS A 48 6.126 2.681 -9.196 1.00 45.12 O ATOM 685 CB CYS A 48 6.034 -0.247 -10.605 1.00 24.51 C ATOM 686 SG CYS A 48 5.719 -1.482 -11.907 1.00 52.41 S ATOM 0 H CYS A 48 7.855 1.950 -10.772 1.00 0.33 H new ATOM 0 HA CYS A 48 5.233 1.250 -11.922 1.00 73.13 H new ATOM 0 HB2 CYS A 48 7.033 -0.409 -10.200 1.00 24.51 H new ATOM 0 HB3 CYS A 48 5.329 -0.408 -9.789 1.00 24.51 H new ATOM 691 N ILE A 49 4.045 2.132 -9.853 1.00 21.23 N ATOM 692 CA ILE A 49 3.392 2.928 -8.821 1.00 21.42 C ATOM 693 C ILE A 49 2.609 2.042 -7.857 1.00 53.54 C ATOM 694 O ILE A 49 1.832 1.185 -8.277 1.00 33.51 O ATOM 695 CB ILE A 49 2.438 3.970 -9.433 1.00 42.23 C ATOM 696 CG1 ILE A 49 3.178 4.830 -10.460 1.00 65.42 C ATOM 697 CG2 ILE A 49 1.835 4.842 -8.342 1.00 34.50 C ATOM 698 CD1 ILE A 49 2.274 5.771 -11.224 1.00 43.33 C ATOM 0 H ILE A 49 3.404 1.637 -10.473 1.00 21.23 H new ATOM 0 HA ILE A 49 4.181 3.446 -8.276 1.00 21.42 H new ATOM 0 HB ILE A 49 1.629 3.445 -9.941 1.00 42.23 H new ATOM 0 HG12 ILE A 49 3.946 5.411 -9.949 1.00 65.42 H new ATOM 0 HG13 ILE A 49 3.690 4.177 -11.167 1.00 65.42 H new ATOM 0 HG21 ILE A 49 1.163 5.574 -8.791 1.00 34.50 H new ATOM 0 HG22 ILE A 49 1.278 4.218 -7.644 1.00 34.50 H new ATOM 0 HG23 ILE A 49 2.632 5.361 -7.809 1.00 34.50 H new ATOM 0 HD11 ILE A 49 2.866 6.349 -11.934 1.00 43.33 H new ATOM 0 HD12 ILE A 49 1.522 5.195 -11.763 1.00 43.33 H new ATOM 0 HD13 ILE A 49 1.781 6.449 -10.527 1.00 43.33 H new ATOM 710 N LYS A 50 2.817 2.258 -6.563 1.00 32.41 N ATOM 711 CA LYS A 50 2.129 1.482 -5.538 1.00 15.44 C ATOM 712 C LYS A 50 2.511 0.008 -5.622 1.00 54.10 C ATOM 713 O LYS A 50 1.761 -0.808 -6.159 1.00 70.35 O ATOM 714 CB LYS A 50 0.613 1.637 -5.684 1.00 30.40 C ATOM 715 CG LYS A 50 0.007 2.635 -4.713 1.00 74.20 C ATOM 716 CD LYS A 50 -0.346 3.941 -5.404 1.00 55.22 C ATOM 717 CE LYS A 50 -1.297 4.778 -4.562 1.00 0.20 C ATOM 718 NZ LYS A 50 -2.013 5.796 -5.380 1.00 32.20 N ATOM 0 H LYS A 50 3.457 2.964 -6.199 1.00 32.41 H new ATOM 0 HA LYS A 50 2.435 1.862 -4.563 1.00 15.44 H new ATOM 0 HB2 LYS A 50 0.385 1.950 -6.703 1.00 30.40 H new ATOM 0 HB3 LYS A 50 0.141 0.666 -5.535 1.00 30.40 H new ATOM 0 HG2 LYS A 50 -0.888 2.207 -4.262 1.00 74.20 H new ATOM 0 HG3 LYS A 50 0.710 2.829 -3.903 1.00 74.20 H new ATOM 0 HD2 LYS A 50 0.564 4.508 -5.599 1.00 55.22 H new ATOM 0 HD3 LYS A 50 -0.804 3.730 -6.371 1.00 55.22 H new ATOM 0 HE2 LYS A 50 -2.023 4.125 -4.077 1.00 0.20 H new ATOM 0 HE3 LYS A 50 -0.738 5.276 -3.770 1.00 0.20 H new ATOM 0 HZ1 LYS A 50 -2.651 6.345 -4.770 1.00 32.20 H new ATOM 0 HZ2 LYS A 50 -1.322 6.435 -5.822 1.00 32.20 H new ATOM 0 HZ3 LYS A 50 -2.567 5.320 -6.120 1.00 32.20 H new ATOM 732 N LEU A 51 3.680 -0.327 -5.087 1.00 55.22 N ATOM 733 CA LEU A 51 4.161 -1.704 -5.101 1.00 34.03 C ATOM 734 C LEU A 51 4.205 -2.279 -3.689 1.00 31.24 C ATOM 735 O LEU A 51 4.526 -1.589 -2.721 1.00 33.33 O ATOM 736 CB LEU A 51 5.550 -1.773 -5.736 1.00 25.43 C ATOM 737 CG LEU A 51 5.739 -2.830 -6.825 1.00 53.32 C ATOM 738 CD1 LEU A 51 6.238 -2.188 -8.110 1.00 51.04 C ATOM 739 CD2 LEU A 51 6.701 -3.912 -6.358 1.00 44.32 C ATOM 0 H LEU A 51 4.312 0.336 -4.638 1.00 55.22 H new ATOM 0 HA LEU A 51 3.467 -2.300 -5.695 1.00 34.03 H new ATOM 0 HB2 LEU A 51 5.782 -0.797 -6.161 1.00 25.43 H new ATOM 0 HB3 LEU A 51 6.279 -1.958 -4.947 1.00 25.43 H new ATOM 0 HG LEU A 51 4.773 -3.294 -7.026 1.00 53.32 H new ATOM 0 HD11 LEU A 51 6.367 -2.955 -8.874 1.00 51.04 H new ATOM 0 HD12 LEU A 51 5.512 -1.451 -8.454 1.00 51.04 H new ATOM 0 HD13 LEU A 51 7.193 -1.697 -7.924 1.00 51.04 H new ATOM 0 HD21 LEU A 51 6.823 -4.655 -7.146 1.00 44.32 H new ATOM 0 HD22 LEU A 51 7.668 -3.465 -6.128 1.00 44.32 H new ATOM 0 HD23 LEU A 51 6.302 -4.393 -5.465 1.00 44.32 H new ATOM 751 N PRO A 52 3.877 -3.574 -3.566 1.00 63.13 N ATOM 752 CA PRO A 52 3.875 -4.272 -2.277 1.00 11.40 C ATOM 753 C PRO A 52 5.282 -4.474 -1.725 1.00 33.22 C ATOM 754 O PRO A 52 6.234 -4.664 -2.481 1.00 44.52 O ATOM 755 CB PRO A 52 3.230 -5.620 -2.605 1.00 33.53 C ATOM 756 CG PRO A 52 3.498 -5.826 -4.056 1.00 20.34 C ATOM 757 CD PRO A 52 3.485 -4.457 -4.677 1.00 73.24 C ATOM 0 HA PRO A 52 3.347 -3.708 -1.508 1.00 11.40 H new ATOM 0 HB2 PRO A 52 3.661 -6.421 -2.005 1.00 33.53 H new ATOM 0 HB3 PRO A 52 2.160 -5.607 -2.398 1.00 33.53 H new ATOM 0 HG2 PRO A 52 4.460 -6.315 -4.210 1.00 20.34 H new ATOM 0 HG3 PRO A 52 2.739 -6.466 -4.506 1.00 20.34 H new ATOM 0 HD2 PRO A 52 4.183 -4.388 -5.511 1.00 73.24 H new ATOM 0 HD3 PRO A 52 2.499 -4.201 -5.065 1.00 73.24 H new ATOM 765 N ASP A 53 5.405 -4.434 -0.403 1.00 13.43 N ATOM 766 CA ASP A 53 6.696 -4.614 0.251 1.00 73.40 C ATOM 767 C ASP A 53 7.336 -5.935 -0.166 1.00 51.22 C ATOM 768 O ASP A 53 8.554 -6.024 -0.319 1.00 70.43 O ATOM 769 CB ASP A 53 6.532 -4.570 1.771 1.00 23.40 C ATOM 770 CG ASP A 53 7.686 -3.865 2.457 1.00 15.21 C ATOM 771 OD1 ASP A 53 8.264 -2.943 1.846 1.00 44.22 O ATOM 772 OD2 ASP A 53 8.010 -4.235 3.605 1.00 32.31 O ATOM 0 H ASP A 53 4.626 -4.278 0.237 1.00 13.43 H new ATOM 0 HA ASP A 53 7.350 -3.799 -0.060 1.00 73.40 H new ATOM 0 HB2 ASP A 53 5.600 -4.061 2.019 1.00 23.40 H new ATOM 0 HB3 ASP A 53 6.452 -5.587 2.155 1.00 23.40 H new ATOM 777 N SER A 54 6.506 -6.957 -0.348 1.00 25.54 N ATOM 778 CA SER A 54 6.992 -8.275 -0.742 1.00 50.32 C ATOM 779 C SER A 54 7.924 -8.172 -1.946 1.00 2.04 C ATOM 780 O SER A 54 8.855 -8.964 -2.094 1.00 74.32 O ATOM 781 CB SER A 54 5.817 -9.197 -1.071 1.00 33.45 C ATOM 782 OG SER A 54 5.130 -9.587 0.106 1.00 11.23 O ATOM 0 H SER A 54 5.495 -6.898 -0.229 1.00 25.54 H new ATOM 0 HA SER A 54 7.551 -8.694 0.094 1.00 50.32 H new ATOM 0 HB2 SER A 54 5.129 -8.688 -1.746 1.00 33.45 H new ATOM 0 HB3 SER A 54 6.180 -10.082 -1.594 1.00 33.45 H new ATOM 0 HG SER A 54 4.382 -10.175 -0.131 1.00 11.23 H new ATOM 788 N VAL A 55 7.667 -7.189 -2.803 1.00 61.32 N ATOM 789 CA VAL A 55 8.483 -6.981 -3.994 1.00 13.34 C ATOM 790 C VAL A 55 9.288 -5.690 -3.889 1.00 73.31 C ATOM 791 O VAL A 55 8.870 -4.629 -4.353 1.00 34.30 O ATOM 792 CB VAL A 55 7.616 -6.931 -5.266 1.00 1.41 C ATOM 793 CG1 VAL A 55 8.468 -6.589 -6.479 1.00 54.11 C ATOM 794 CG2 VAL A 55 6.891 -8.252 -5.469 1.00 30.55 C ATOM 0 H VAL A 55 6.901 -6.524 -2.695 1.00 61.32 H new ATOM 0 HA VAL A 55 9.166 -7.827 -4.062 1.00 13.34 H new ATOM 0 HB VAL A 55 6.868 -6.148 -5.144 1.00 1.41 H new ATOM 0 HG11 VAL A 55 7.839 -6.558 -7.369 1.00 54.11 H new ATOM 0 HG12 VAL A 55 8.936 -5.616 -6.332 1.00 54.11 H new ATOM 0 HG13 VAL A 55 9.240 -7.348 -6.607 1.00 54.11 H new ATOM 0 HG21 VAL A 55 6.283 -8.198 -6.372 1.00 30.55 H new ATOM 0 HG22 VAL A 55 7.620 -9.056 -5.570 1.00 30.55 H new ATOM 0 HG23 VAL A 55 6.249 -8.450 -4.611 1.00 30.55 H new ATOM 804 N PRO A 56 10.472 -5.780 -3.265 1.00 73.54 N ATOM 805 CA PRO A 56 11.362 -4.629 -3.086 1.00 34.50 C ATOM 806 C PRO A 56 11.979 -4.163 -4.400 1.00 72.42 C ATOM 807 O PRO A 56 12.611 -4.945 -5.111 1.00 63.01 O ATOM 808 CB PRO A 56 12.445 -5.162 -2.145 1.00 65.35 C ATOM 809 CG PRO A 56 12.454 -6.635 -2.373 1.00 0.51 C ATOM 810 CD PRO A 56 11.033 -7.013 -2.688 1.00 22.22 C ATOM 0 HA PRO A 56 10.831 -3.759 -2.698 1.00 34.50 H new ATOM 0 HB2 PRO A 56 13.416 -4.721 -2.369 1.00 65.35 H new ATOM 0 HB3 PRO A 56 12.219 -4.924 -1.106 1.00 65.35 H new ATOM 0 HG2 PRO A 56 13.120 -6.899 -3.195 1.00 0.51 H new ATOM 0 HG3 PRO A 56 12.812 -7.165 -1.490 1.00 0.51 H new ATOM 0 HD2 PRO A 56 10.985 -7.844 -3.392 1.00 22.22 H new ATOM 0 HD3 PRO A 56 10.491 -7.321 -1.794 1.00 22.22 H new ATOM 818 N ILE A 57 11.791 -2.887 -4.716 1.00 44.45 N ATOM 819 CA ILE A 57 12.332 -2.317 -5.945 1.00 34.22 C ATOM 820 C ILE A 57 13.841 -2.518 -6.026 1.00 41.42 C ATOM 821 O ILE A 57 14.445 -3.125 -5.142 1.00 44.02 O ATOM 822 CB ILE A 57 12.018 -0.813 -6.054 1.00 30.34 C ATOM 823 CG1 ILE A 57 12.372 -0.100 -4.747 1.00 32.52 C ATOM 824 CG2 ILE A 57 10.551 -0.602 -6.398 1.00 44.35 C ATOM 825 CD1 ILE A 57 13.860 0.078 -4.539 1.00 75.04 C ATOM 0 H ILE A 57 11.269 -2.228 -4.139 1.00 44.45 H new ATOM 0 HA ILE A 57 11.854 -2.840 -6.773 1.00 34.22 H new ATOM 0 HB ILE A 57 12.624 -0.387 -6.854 1.00 30.34 H new ATOM 0 HG12 ILE A 57 11.892 0.879 -4.735 1.00 32.52 H new ATOM 0 HG13 ILE A 57 11.962 -0.666 -3.911 1.00 32.52 H new ATOM 0 HG21 ILE A 57 10.344 0.466 -6.472 1.00 44.35 H new ATOM 0 HG22 ILE A 57 10.328 -1.081 -7.351 1.00 44.35 H new ATOM 0 HG23 ILE A 57 9.928 -1.039 -5.618 1.00 44.35 H new ATOM 0 HD11 ILE A 57 14.036 0.590 -3.593 1.00 75.04 H new ATOM 0 HD12 ILE A 57 14.344 -0.898 -4.518 1.00 75.04 H new ATOM 0 HD13 ILE A 57 14.273 0.671 -5.355 1.00 75.04 H new ATOM 837 N ARG A 58 14.444 -2.001 -7.092 1.00 23.31 N ATOM 838 CA ARG A 58 15.884 -2.123 -7.289 1.00 12.34 C ATOM 839 C ARG A 58 16.646 -1.342 -6.222 1.00 41.00 C ATOM 840 O ARG A 58 16.536 -0.119 -6.136 1.00 3.24 O ATOM 841 CB ARG A 58 16.274 -1.621 -8.680 1.00 0.40 C ATOM 842 CG ARG A 58 17.266 -2.522 -9.397 1.00 32.12 C ATOM 843 CD ARG A 58 18.675 -2.342 -8.855 1.00 20.25 C ATOM 844 NE ARG A 58 19.671 -3.016 -9.684 1.00 13.22 N ATOM 845 CZ ARG A 58 20.949 -3.137 -9.344 1.00 62.52 C ATOM 846 NH1 ARG A 58 21.385 -2.634 -8.198 1.00 12.13 N ATOM 847 NH2 ARG A 58 21.795 -3.764 -10.152 1.00 73.41 N ATOM 0 H ARG A 58 13.958 -1.494 -7.832 1.00 23.31 H new ATOM 0 HA ARG A 58 16.150 -3.177 -7.203 1.00 12.34 H new ATOM 0 HB2 ARG A 58 15.375 -1.528 -9.289 1.00 0.40 H new ATOM 0 HB3 ARG A 58 16.702 -0.623 -8.590 1.00 0.40 H new ATOM 0 HG2 ARG A 58 16.962 -3.563 -9.284 1.00 32.12 H new ATOM 0 HG3 ARG A 58 17.255 -2.301 -10.464 1.00 32.12 H new ATOM 0 HD2 ARG A 58 18.909 -1.279 -8.800 1.00 20.25 H new ATOM 0 HD3 ARG A 58 18.725 -2.733 -7.839 1.00 20.25 H new ATOM 0 HE ARG A 58 19.368 -3.415 -10.572 1.00 13.22 H new ATOM 0 HH11 ARG A 58 20.738 -2.152 -7.574 1.00 12.13 H new ATOM 0 HH12 ARG A 58 22.367 -2.729 -7.940 1.00 12.13 H new ATOM 0 HH21 ARG A 58 21.464 -4.153 -11.035 1.00 73.41 H new ATOM 0 HH22 ARG A 58 22.776 -3.857 -9.890 1.00 73.41 H new ATOM 861 N VAL A 59 17.419 -2.058 -5.411 1.00 13.30 N ATOM 862 CA VAL A 59 18.200 -1.433 -4.350 1.00 52.54 C ATOM 863 C VAL A 59 19.609 -1.101 -4.828 1.00 62.30 C ATOM 864 O VAL A 59 20.127 -1.696 -5.773 1.00 71.44 O ATOM 865 CB VAL A 59 18.290 -2.341 -3.110 1.00 22.01 C ATOM 866 CG1 VAL A 59 16.949 -2.404 -2.395 1.00 2.43 C ATOM 867 CG2 VAL A 59 18.760 -3.734 -3.503 1.00 54.40 C ATOM 0 H VAL A 59 17.521 -3.071 -5.469 1.00 13.30 H new ATOM 0 HA VAL A 59 17.685 -0.511 -4.079 1.00 52.54 H new ATOM 0 HB VAL A 59 19.021 -1.916 -2.422 1.00 22.01 H new ATOM 0 HG11 VAL A 59 17.033 -3.050 -1.521 1.00 2.43 H new ATOM 0 HG12 VAL A 59 16.658 -1.402 -2.079 1.00 2.43 H new ATOM 0 HG13 VAL A 59 16.194 -2.804 -3.072 1.00 2.43 H new ATOM 0 HG21 VAL A 59 18.818 -4.363 -2.614 1.00 54.40 H new ATOM 0 HG22 VAL A 59 18.055 -4.170 -4.210 1.00 54.40 H new ATOM 0 HG23 VAL A 59 19.745 -3.669 -3.966 1.00 54.40 H new ATOM 877 N PRO A 60 20.247 -0.129 -4.160 1.00 1.21 N ATOM 878 CA PRO A 60 21.607 0.303 -4.498 1.00 15.43 C ATOM 879 C PRO A 60 22.652 -0.752 -4.155 1.00 63.35 C ATOM 880 O PRO A 60 23.009 -0.932 -2.992 1.00 65.01 O ATOM 881 CB PRO A 60 21.806 1.553 -3.636 1.00 30.41 C ATOM 882 CG PRO A 60 20.879 1.370 -2.484 1.00 24.02 C ATOM 883 CD PRO A 60 19.691 0.623 -3.023 1.00 14.32 C ATOM 0 HA PRO A 60 21.724 0.482 -5.567 1.00 15.43 H new ATOM 0 HB2 PRO A 60 22.840 1.643 -3.302 1.00 30.41 H new ATOM 0 HB3 PRO A 60 21.571 2.460 -4.193 1.00 30.41 H new ATOM 0 HG2 PRO A 60 21.360 0.811 -1.681 1.00 24.02 H new ATOM 0 HG3 PRO A 60 20.579 2.332 -2.068 1.00 24.02 H new ATOM 0 HD2 PRO A 60 19.261 -0.042 -2.274 1.00 14.32 H new ATOM 0 HD3 PRO A 60 18.899 1.302 -3.339 1.00 14.32 H new ATOM 891 N GLY A 61 23.140 -1.449 -5.178 1.00 3.33 N ATOM 892 CA GLY A 61 24.141 -2.478 -4.964 1.00 11.22 C ATOM 893 C GLY A 61 24.479 -3.231 -6.235 1.00 71.01 C ATOM 894 O GLY A 61 24.268 -2.728 -7.339 1.00 5.31 O ATOM 0 H GLY A 61 22.860 -1.319 -6.150 1.00 3.33 H new ATOM 0 HA2 GLY A 61 25.047 -2.022 -4.564 1.00 11.22 H new ATOM 0 HA3 GLY A 61 23.780 -3.181 -4.214 1.00 11.22 H new ATOM 898 N LYS A 62 25.006 -4.441 -6.082 1.00 3.13 N ATOM 899 CA LYS A 62 25.375 -5.266 -7.226 1.00 22.02 C ATOM 900 C LYS A 62 24.222 -6.178 -7.633 1.00 44.02 C ATOM 901 O LYS A 62 23.271 -6.369 -6.876 1.00 14.34 O ATOM 902 CB LYS A 62 26.612 -6.105 -6.898 1.00 21.43 C ATOM 903 CG LYS A 62 27.822 -5.765 -7.750 1.00 41.42 C ATOM 904 CD LYS A 62 29.004 -6.663 -7.426 1.00 33.12 C ATOM 905 CE LYS A 62 30.202 -6.347 -8.307 1.00 65.30 C ATOM 906 NZ LYS A 62 30.854 -7.584 -8.821 1.00 1.20 N ATOM 0 H LYS A 62 25.187 -4.872 -5.176 1.00 3.13 H new ATOM 0 HA LYS A 62 25.604 -4.604 -8.061 1.00 22.02 H new ATOM 0 HB2 LYS A 62 26.867 -5.965 -5.848 1.00 21.43 H new ATOM 0 HB3 LYS A 62 26.370 -7.160 -7.030 1.00 21.43 H new ATOM 0 HG2 LYS A 62 27.565 -5.867 -8.804 1.00 41.42 H new ATOM 0 HG3 LYS A 62 28.100 -4.724 -7.589 1.00 41.42 H new ATOM 0 HD2 LYS A 62 29.279 -6.540 -6.378 1.00 33.12 H new ATOM 0 HD3 LYS A 62 28.717 -7.706 -7.560 1.00 33.12 H new ATOM 0 HE2 LYS A 62 29.883 -5.729 -9.146 1.00 65.30 H new ATOM 0 HE3 LYS A 62 30.927 -5.764 -7.739 1.00 65.30 H new ATOM 0 HZ1 LYS A 62 31.666 -7.326 -9.417 1.00 1.20 H new ATOM 0 HZ2 LYS A 62 31.181 -8.162 -8.021 1.00 1.20 H new ATOM 0 HZ3 LYS A 62 30.170 -8.129 -9.384 1.00 1.20 H new ATOM 920 N CYS A 63 24.315 -6.740 -8.834 1.00 33.44 N ATOM 921 CA CYS A 63 23.281 -7.633 -9.342 1.00 35.52 C ATOM 922 C CYS A 63 23.756 -9.083 -9.322 1.00 61.32 C ATOM 923 O CYS A 63 24.930 -9.365 -9.562 1.00 51.52 O ATOM 924 CB CYS A 63 22.886 -7.234 -10.765 1.00 3.30 C ATOM 925 SG CYS A 63 21.721 -8.383 -11.564 1.00 70.24 S ATOM 0 H CYS A 63 25.096 -6.592 -9.473 1.00 33.44 H new ATOM 0 HA CYS A 63 22.410 -7.545 -8.692 1.00 35.52 H new ATOM 0 HB2 CYS A 63 22.440 -6.240 -10.741 1.00 3.30 H new ATOM 0 HB3 CYS A 63 23.787 -7.165 -11.375 1.00 3.30 H new ATOM 930 N GLN A 64 22.836 -9.998 -9.035 1.00 32.30 N ATOM 931 CA GLN A 64 23.161 -11.419 -8.984 1.00 4.43 C ATOM 932 C GLN A 64 22.049 -12.255 -9.607 1.00 35.04 C ATOM 933 O GLN A 64 21.044 -11.720 -10.076 1.00 14.31 O ATOM 934 CB GLN A 64 23.397 -11.858 -7.537 1.00 50.45 C ATOM 935 CG GLN A 64 24.797 -12.392 -7.284 1.00 64.03 C ATOM 936 CD GLN A 64 25.868 -11.337 -7.477 1.00 5.41 C ATOM 937 OE1 GLN A 64 25.799 -10.252 -6.898 1.00 20.25 O ATOM 938 NE2 GLN A 64 26.868 -11.649 -8.294 1.00 14.21 N ATOM 0 H GLN A 64 21.860 -9.781 -8.834 1.00 32.30 H new ATOM 0 HA GLN A 64 24.074 -11.578 -9.558 1.00 4.43 H new ATOM 0 HB2 GLN A 64 23.215 -11.011 -6.875 1.00 50.45 H new ATOM 0 HB3 GLN A 64 22.671 -12.628 -7.277 1.00 50.45 H new ATOM 0 HG2 GLN A 64 24.855 -12.781 -6.268 1.00 64.03 H new ATOM 0 HG3 GLN A 64 24.990 -13.228 -7.957 1.00 64.03 H new ATOM 0 HE21 GLN A 64 26.886 -12.559 -8.753 1.00 14.21 H new ATOM 0 HE22 GLN A 64 27.618 -10.978 -8.462 1.00 14.21 H new TER 947 GLN A 64