USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ -176:sc= 0 (180deg=-0.0346) USER MOD Single : A 5 SER OG : rot 81:sc= 0.248 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot -89:sc= 0.0205 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -150:sc= 0.0467 USER MOD Single : A 35 SER OG : rot -27:sc= 0.0619 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0605) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0.401 (180deg=0.368) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00299) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.381 F(o=-1.6!,f=-0.38) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 61 SER OG : rot -110:sc= -0.143 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.0282 (180deg=-0.854) USER MOD Single : A 68 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.066) USER MOD Single : A 69 LYS NZ :NH3+ -133:sc= -0.0514 (180deg=-1.83!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 9.982 36.038 23.210 1.00 20.00 N ATOM 2 CA ASN A 1 11.437 36.239 23.082 1.00 20.00 C ATOM 3 C ASN A 1 12.139 34.894 22.894 1.00 20.00 C ATOM 4 O ASN A 1 12.295 34.130 23.846 1.00 20.00 O ATOM 5 CB ASN A 1 12.009 37.008 24.285 1.00 20.00 C ATOM 6 CG ASN A 1 11.410 38.404 24.458 1.00 20.00 C ATOM 7 OD1 ASN A 1 10.969 39.030 23.499 1.00 20.00 O ATOM 8 ND2 ASN A 1 11.385 38.901 25.693 1.00 20.00 N ATOM 0 H1 ASN A 1 9.508 36.962 23.269 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.629 35.520 22.380 1.00 20.00 H new ATOM 0 H3 ASN A 1 9.782 35.490 24.071 1.00 20.00 H new ATOM 0 HA ASN A 1 11.621 36.850 22.199 1.00 20.00 H new ATOM 0 HB2 ASN A 1 11.832 36.431 25.192 1.00 20.00 H new ATOM 0 HB3 ASN A 1 13.089 37.097 24.169 1.00 20.00 H new ATOM 0 HD21 ASN A 1 10.991 39.827 25.862 1.00 20.00 H new ATOM 0 HD22 ASN A 1 11.759 38.356 26.470 1.00 20.00 H new ATOM 17 N GLU A 2 12.529 34.593 21.650 1.00 20.00 N ATOM 18 CA GLU A 2 13.118 33.310 21.266 1.00 20.00 C ATOM 19 C GLU A 2 14.550 33.152 21.796 1.00 20.00 C ATOM 20 O GLU A 2 14.892 32.094 22.322 1.00 20.00 O ATOM 21 CB GLU A 2 13.068 33.174 19.733 1.00 20.00 C ATOM 22 CG GLU A 2 13.200 31.722 19.245 1.00 20.00 C ATOM 23 CD GLU A 2 11.862 30.974 19.248 1.00 20.00 C ATOM 24 OE1 GLU A 2 11.515 30.421 18.180 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.179 30.978 20.297 1.00 20.00 O ATOM 0 H GLU A 2 12.442 35.246 20.871 1.00 20.00 H new ATOM 0 HA GLU A 2 12.536 32.508 21.720 1.00 20.00 H new ATOM 0 HB2 GLU A 2 12.127 33.588 19.369 1.00 20.00 H new ATOM 0 HB3 GLU A 2 13.869 33.771 19.296 1.00 20.00 H new ATOM 0 HG2 GLU A 2 13.612 31.718 18.236 1.00 20.00 H new ATOM 0 HG3 GLU A 2 13.909 31.192 19.881 1.00 20.00 H new ATOM 32 N CYS A 3 15.368 34.209 21.680 1.00 20.00 N ATOM 33 CA CYS A 3 16.756 34.225 22.139 1.00 20.00 C ATOM 34 C CYS A 3 16.861 34.034 23.659 1.00 20.00 C ATOM 35 O CYS A 3 17.770 33.349 24.125 1.00 20.00 O ATOM 36 CB CYS A 3 17.417 35.541 21.704 1.00 20.00 C ATOM 37 SG CYS A 3 17.416 35.767 19.907 1.00 20.00 S ATOM 0 H CYS A 3 15.074 35.089 21.257 1.00 20.00 H new ATOM 0 HA CYS A 3 17.280 33.385 21.682 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.895 36.376 22.171 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.444 35.564 22.068 1.00 20.00 H new ATOM 42 N VAL A 4 15.912 34.604 24.419 1.00 20.00 N ATOM 43 CA VAL A 4 15.826 34.491 25.876 1.00 20.00 C ATOM 44 C VAL A 4 15.468 33.055 26.284 1.00 20.00 C ATOM 45 O VAL A 4 16.082 32.524 27.209 1.00 20.00 O ATOM 46 CB VAL A 4 14.802 35.512 26.422 1.00 20.00 C ATOM 47 CG1 VAL A 4 14.597 35.379 27.940 1.00 20.00 C ATOM 48 CG2 VAL A 4 15.242 36.957 26.126 1.00 20.00 C ATOM 0 H VAL A 4 15.164 35.172 24.021 1.00 20.00 H new ATOM 0 HA VAL A 4 16.798 34.721 26.313 1.00 20.00 H new ATOM 0 HB VAL A 4 13.864 35.291 25.913 1.00 20.00 H new ATOM 0 HG11 VAL A 4 13.869 36.118 28.275 1.00 20.00 H new ATOM 0 HG12 VAL A 4 14.232 34.379 28.172 1.00 20.00 H new ATOM 0 HG13 VAL A 4 15.545 35.546 28.451 1.00 20.00 H new ATOM 0 HG21 VAL A 4 14.501 37.651 26.522 1.00 20.00 H new ATOM 0 HG22 VAL A 4 16.206 37.147 26.597 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.330 37.097 25.049 1.00 20.00 H new ATOM 58 N SER A 5 14.509 32.422 25.588 1.00 20.00 N ATOM 59 CA SER A 5 14.091 31.040 25.833 1.00 20.00 C ATOM 60 C SER A 5 15.232 30.044 25.591 1.00 20.00 C ATOM 61 O SER A 5 15.426 29.140 26.403 1.00 20.00 O ATOM 62 CB SER A 5 12.896 30.677 24.944 1.00 20.00 C ATOM 63 OG SER A 5 11.761 31.441 25.284 1.00 20.00 O ATOM 0 H SER A 5 13.996 32.868 24.827 1.00 20.00 H new ATOM 0 HA SER A 5 13.801 30.973 26.882 1.00 20.00 H new ATOM 0 HB2 SER A 5 13.152 30.846 23.898 1.00 20.00 H new ATOM 0 HB3 SER A 5 12.669 29.616 25.049 1.00 20.00 H new ATOM 0 HG SER A 5 11.829 32.329 24.874 1.00 20.00 H new ATOM 69 N LYS A 6 16.001 30.231 24.505 1.00 20.00 N ATOM 70 CA LYS A 6 17.180 29.431 24.169 1.00 20.00 C ATOM 71 C LYS A 6 18.328 29.613 25.179 1.00 20.00 C ATOM 72 O LYS A 6 19.178 28.729 25.282 1.00 20.00 O ATOM 73 CB LYS A 6 17.677 29.818 22.767 1.00 20.00 C ATOM 74 CG LYS A 6 16.759 29.413 21.601 1.00 20.00 C ATOM 75 CD LYS A 6 16.984 27.962 21.157 1.00 20.00 C ATOM 76 CE LYS A 6 16.125 27.661 19.927 1.00 20.00 C ATOM 77 NZ LYS A 6 16.403 26.319 19.386 1.00 20.00 N ATOM 0 H LYS A 6 15.810 30.964 23.821 1.00 20.00 H new ATOM 0 HA LYS A 6 16.879 28.384 24.200 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.818 30.898 22.736 1.00 20.00 H new ATOM 0 HB3 LYS A 6 18.656 29.364 22.610 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.719 29.542 21.900 1.00 20.00 H new ATOM 0 HG3 LYS A 6 16.933 30.080 20.756 1.00 20.00 H new ATOM 0 HD2 LYS A 6 18.037 27.801 20.926 1.00 20.00 H new ATOM 0 HD3 LYS A 6 16.728 27.279 21.967 1.00 20.00 H new ATOM 0 HE2 LYS A 6 15.070 27.736 20.192 1.00 20.00 H new ATOM 0 HE3 LYS A 6 16.314 28.410 19.158 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 15.803 26.149 18.554 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 17.404 26.256 19.110 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 16.198 25.603 20.112 1.00 20.00 H new ATOM 91 N GLY A 7 18.346 30.729 25.927 1.00 20.00 N ATOM 92 CA GLY A 7 19.314 31.030 26.979 1.00 20.00 C ATOM 93 C GLY A 7 20.442 31.979 26.556 1.00 20.00 C ATOM 94 O GLY A 7 21.337 32.240 27.360 1.00 20.00 O ATOM 0 H GLY A 7 17.657 31.471 25.805 1.00 20.00 H new ATOM 0 HA2 GLY A 7 18.786 31.469 27.826 1.00 20.00 H new ATOM 0 HA3 GLY A 7 19.754 30.096 27.327 1.00 20.00 H new ATOM 98 N PHE A 8 20.413 32.495 25.319 1.00 20.00 N ATOM 99 CA PHE A 8 21.346 33.494 24.794 1.00 20.00 C ATOM 100 C PHE A 8 21.085 34.889 25.396 1.00 20.00 C ATOM 101 O PHE A 8 20.187 35.061 26.224 1.00 20.00 O ATOM 102 CB PHE A 8 21.236 33.516 23.259 1.00 20.00 C ATOM 103 CG PHE A 8 21.422 32.165 22.588 1.00 20.00 C ATOM 104 CD1 PHE A 8 20.413 31.650 21.753 1.00 20.00 C ATOM 105 CD2 PHE A 8 22.599 31.418 22.794 1.00 20.00 C ATOM 106 CE1 PHE A 8 20.582 30.406 21.121 1.00 20.00 C ATOM 107 CE2 PHE A 8 22.762 30.169 22.170 1.00 20.00 C ATOM 108 CZ PHE A 8 21.755 29.663 21.332 1.00 20.00 C ATOM 0 H PHE A 8 19.711 32.215 24.633 1.00 20.00 H new ATOM 0 HA PHE A 8 22.361 33.220 25.081 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.258 33.911 22.984 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.981 34.207 22.865 1.00 20.00 H new ATOM 0 HD1 PHE A 8 19.505 32.213 21.597 1.00 20.00 H new ATOM 0 HD2 PHE A 8 23.378 31.806 23.433 1.00 20.00 H new ATOM 0 HE1 PHE A 8 19.809 30.021 20.472 1.00 20.00 H new ATOM 0 HE2 PHE A 8 23.663 29.597 22.335 1.00 20.00 H new ATOM 0 HZ PHE A 8 21.882 28.705 20.851 1.00 20.00 H new ATOM 118 N GLY A 9 21.880 35.886 24.975 1.00 20.00 N ATOM 119 CA GLY A 9 21.816 37.267 25.452 1.00 20.00 C ATOM 120 C GLY A 9 21.391 38.264 24.371 1.00 20.00 C ATOM 121 O GLY A 9 21.316 37.922 23.190 1.00 20.00 O ATOM 0 H GLY A 9 22.605 35.744 24.272 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.115 37.324 26.284 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.793 37.556 25.838 1.00 20.00 H new ATOM 125 N CYS A 10 21.154 39.514 24.799 1.00 20.00 N ATOM 126 CA CYS A 10 20.799 40.652 23.954 1.00 20.00 C ATOM 127 C CYS A 10 21.861 41.751 24.078 1.00 20.00 C ATOM 128 O CYS A 10 21.585 42.858 24.544 1.00 20.00 O ATOM 129 CB CYS A 10 19.388 41.169 24.276 1.00 20.00 C ATOM 130 SG CYS A 10 18.044 39.976 24.129 1.00 20.00 S ATOM 0 H CYS A 10 21.208 39.764 25.786 1.00 20.00 H new ATOM 0 HA CYS A 10 20.778 40.324 22.915 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.391 41.557 25.295 1.00 20.00 H new ATOM 0 HB3 CYS A 10 19.173 42.009 23.616 1.00 20.00 H new ATOM 135 N LEU A 11 23.088 41.425 23.655 1.00 20.00 N ATOM 136 CA LEU A 11 24.218 42.348 23.604 1.00 20.00 C ATOM 137 C LEU A 11 23.992 43.391 22.495 1.00 20.00 C ATOM 138 O LEU A 11 23.272 43.106 21.537 1.00 20.00 O ATOM 139 CB LEU A 11 25.508 41.545 23.335 1.00 20.00 C ATOM 140 CG LEU A 11 26.130 40.829 24.555 1.00 20.00 C ATOM 141 CD1 LEU A 11 26.703 41.837 25.559 1.00 20.00 C ATOM 142 CD2 LEU A 11 25.180 39.863 25.276 1.00 20.00 C ATOM 0 H LEU A 11 23.324 40.487 23.331 1.00 20.00 H new ATOM 0 HA LEU A 11 24.312 42.873 24.555 1.00 20.00 H new ATOM 0 HB2 LEU A 11 25.294 40.798 22.571 1.00 20.00 H new ATOM 0 HB3 LEU A 11 26.253 42.222 22.918 1.00 20.00 H new ATOM 0 HG LEU A 11 26.933 40.220 24.140 1.00 20.00 H new ATOM 0 HD11 LEU A 11 27.133 41.302 26.406 1.00 20.00 H new ATOM 0 HD12 LEU A 11 27.477 42.433 25.075 1.00 20.00 H new ATOM 0 HD13 LEU A 11 25.907 42.493 25.911 1.00 20.00 H new ATOM 0 HD21 LEU A 11 25.698 39.405 26.119 1.00 20.00 H new ATOM 0 HD22 LEU A 11 24.310 40.411 25.639 1.00 20.00 H new ATOM 0 HD23 LEU A 11 24.856 39.086 24.583 1.00 20.00 H new ATOM 154 N PRO A 12 24.621 44.580 22.574 1.00 20.00 N ATOM 155 CA PRO A 12 24.541 45.584 21.520 1.00 20.00 C ATOM 156 C PRO A 12 25.312 45.125 20.279 1.00 20.00 C ATOM 157 O PRO A 12 26.197 44.272 20.361 1.00 20.00 O ATOM 158 CB PRO A 12 25.130 46.861 22.130 1.00 20.00 C ATOM 159 CG PRO A 12 26.131 46.331 23.154 1.00 20.00 C ATOM 160 CD PRO A 12 25.468 45.050 23.661 1.00 20.00 C ATOM 0 HA PRO A 12 23.518 45.753 21.183 1.00 20.00 H new ATOM 0 HB2 PRO A 12 25.616 47.480 21.376 1.00 20.00 H new ATOM 0 HB3 PRO A 12 24.361 47.475 22.599 1.00 20.00 H new ATOM 0 HG2 PRO A 12 27.102 46.130 22.701 1.00 20.00 H new ATOM 0 HG3 PRO A 12 26.298 47.045 23.961 1.00 20.00 H new ATOM 0 HD2 PRO A 12 26.215 44.302 23.925 1.00 20.00 H new ATOM 0 HD3 PRO A 12 24.880 45.244 24.558 1.00 20.00 H new ATOM 168 N GLN A 13 24.998 45.737 19.132 1.00 20.00 N ATOM 169 CA GLN A 13 25.716 45.538 17.874 1.00 20.00 C ATOM 170 C GLN A 13 27.177 46.017 17.979 1.00 20.00 C ATOM 171 O GLN A 13 28.032 45.529 17.243 1.00 20.00 O ATOM 172 CB GLN A 13 24.982 46.290 16.754 1.00 20.00 C ATOM 173 CG GLN A 13 23.618 45.661 16.424 1.00 20.00 C ATOM 174 CD GLN A 13 22.821 46.500 15.426 1.00 20.00 C ATOM 175 OE1 GLN A 13 23.325 46.885 14.373 1.00 20.00 O ATOM 176 NE2 GLN A 13 21.561 46.791 15.747 1.00 20.00 N ATOM 0 H GLN A 13 24.223 46.396 19.053 1.00 20.00 H new ATOM 0 HA GLN A 13 25.740 44.472 17.647 1.00 20.00 H new ATOM 0 HB2 GLN A 13 24.838 47.329 17.051 1.00 20.00 H new ATOM 0 HB3 GLN A 13 25.602 46.298 15.858 1.00 20.00 H new ATOM 0 HG2 GLN A 13 23.770 44.662 16.016 1.00 20.00 H new ATOM 0 HG3 GLN A 13 23.041 45.546 17.342 1.00 20.00 H new ATOM 0 HE21 GLN A 13 21.169 46.458 16.628 1.00 20.00 H new ATOM 0 HE22 GLN A 13 20.988 47.347 15.112 1.00 20.00 H new ATOM 185 N SER A 14 27.476 46.930 18.917 1.00 20.00 N ATOM 186 CA SER A 14 28.824 47.363 19.263 1.00 20.00 C ATOM 187 C SER A 14 29.673 46.183 19.751 1.00 20.00 C ATOM 188 O SER A 14 30.740 45.929 19.193 1.00 20.00 O ATOM 189 CB SER A 14 28.732 48.464 20.330 1.00 20.00 C ATOM 190 OG SER A 14 30.014 48.855 20.777 1.00 20.00 O ATOM 0 H SER A 14 26.757 47.398 19.469 1.00 20.00 H new ATOM 0 HA SER A 14 29.317 47.763 18.377 1.00 20.00 H new ATOM 0 HB2 SER A 14 28.209 49.328 19.920 1.00 20.00 H new ATOM 0 HB3 SER A 14 28.144 48.106 21.175 1.00 20.00 H new ATOM 0 HG SER A 14 30.281 48.295 21.535 1.00 20.00 H new ATOM 196 N ASP A 15 29.210 45.488 20.799 1.00 20.00 N ATOM 197 CA ASP A 15 29.997 44.491 21.518 1.00 20.00 C ATOM 198 C ASP A 15 29.908 43.114 20.845 1.00 20.00 C ATOM 199 O ASP A 15 30.942 42.472 20.663 1.00 20.00 O ATOM 200 CB ASP A 15 29.545 44.422 22.988 1.00 20.00 C ATOM 201 CG ASP A 15 29.711 45.730 23.781 1.00 20.00 C ATOM 202 OD1 ASP A 15 29.286 45.726 24.957 1.00 20.00 O ATOM 203 OD2 ASP A 15 30.260 46.717 23.238 1.00 20.00 O ATOM 0 H ASP A 15 28.268 45.607 21.171 1.00 20.00 H new ATOM 0 HA ASP A 15 31.043 44.795 21.490 1.00 20.00 H new ATOM 0 HB2 ASP A 15 28.496 44.128 23.016 1.00 20.00 H new ATOM 0 HB3 ASP A 15 30.110 43.636 23.490 1.00 20.00 H new ATOM 208 N CYS A 16 28.700 42.669 20.461 1.00 20.00 N ATOM 209 CA CYS A 16 28.475 41.406 19.765 1.00 20.00 C ATOM 210 C CYS A 16 29.132 41.436 18.370 1.00 20.00 C ATOM 211 O CYS A 16 28.801 42.323 17.577 1.00 20.00 O ATOM 212 CB CYS A 16 26.971 41.142 19.623 1.00 20.00 C ATOM 213 SG CYS A 16 26.577 39.497 18.967 1.00 20.00 S ATOM 0 H CYS A 16 27.841 43.192 20.632 1.00 20.00 H new ATOM 0 HA CYS A 16 28.926 40.604 20.350 1.00 20.00 H new ATOM 0 HB2 CYS A 16 26.497 41.257 20.598 1.00 20.00 H new ATOM 0 HB3 CYS A 16 26.539 41.898 18.967 1.00 20.00 H new ATOM 218 N PRO A 17 30.022 40.478 18.034 1.00 20.00 N ATOM 219 CA PRO A 17 30.592 40.359 16.695 1.00 20.00 C ATOM 220 C PRO A 17 29.524 39.910 15.686 1.00 20.00 C ATOM 221 O PRO A 17 28.481 39.376 16.061 1.00 20.00 O ATOM 222 CB PRO A 17 31.727 39.340 16.833 1.00 20.00 C ATOM 223 CG PRO A 17 31.233 38.426 17.950 1.00 20.00 C ATOM 224 CD PRO A 17 30.497 39.393 18.879 1.00 20.00 C ATOM 0 HA PRO A 17 30.966 41.310 16.315 1.00 20.00 H new ATOM 0 HB2 PRO A 17 31.892 38.791 15.906 1.00 20.00 H new ATOM 0 HB3 PRO A 17 32.671 39.820 17.092 1.00 20.00 H new ATOM 0 HG2 PRO A 17 30.572 37.646 17.572 1.00 20.00 H new ATOM 0 HG3 PRO A 17 32.058 37.926 18.458 1.00 20.00 H new ATOM 0 HD2 PRO A 17 29.666 38.896 19.380 1.00 20.00 H new ATOM 0 HD3 PRO A 17 31.161 39.767 19.658 1.00 20.00 H new ATOM 232 N GLN A 18 29.798 40.125 14.395 1.00 20.00 N ATOM 233 CA GLN A 18 28.838 39.974 13.296 1.00 20.00 C ATOM 234 C GLN A 18 28.592 38.511 12.888 1.00 20.00 C ATOM 235 O GLN A 18 27.776 38.250 12.004 1.00 20.00 O ATOM 236 CB GLN A 18 29.305 40.850 12.119 1.00 20.00 C ATOM 237 CG GLN A 18 28.955 42.322 12.401 1.00 20.00 C ATOM 238 CD GLN A 18 29.603 43.307 11.430 1.00 20.00 C ATOM 239 OE1 GLN A 18 29.624 43.095 10.221 1.00 20.00 O ATOM 240 NE2 GLN A 18 30.131 44.410 11.960 1.00 20.00 N ATOM 0 H GLN A 18 30.722 40.418 14.076 1.00 20.00 H new ATOM 0 HA GLN A 18 27.861 40.316 13.639 1.00 20.00 H new ATOM 0 HB2 GLN A 18 30.380 40.742 11.976 1.00 20.00 H new ATOM 0 HB3 GLN A 18 28.827 40.522 11.196 1.00 20.00 H new ATOM 0 HG2 GLN A 18 27.873 42.443 12.358 1.00 20.00 H new ATOM 0 HG3 GLN A 18 29.264 42.571 13.416 1.00 20.00 H new ATOM 0 HE21 GLN A 18 30.098 44.557 12.969 1.00 20.00 H new ATOM 0 HE22 GLN A 18 30.568 45.107 11.357 1.00 20.00 H new ATOM 249 N GLU A 19 29.267 37.567 13.553 1.00 20.00 N ATOM 250 CA GLU A 19 29.203 36.124 13.346 1.00 20.00 C ATOM 251 C GLU A 19 28.359 35.414 14.413 1.00 20.00 C ATOM 252 O GLU A 19 27.658 34.456 14.088 1.00 20.00 O ATOM 253 CB GLU A 19 30.630 35.551 13.291 1.00 20.00 C ATOM 254 CG GLU A 19 31.637 36.177 14.278 1.00 20.00 C ATOM 255 CD GLU A 19 33.007 35.495 14.211 1.00 20.00 C ATOM 256 OE1 GLU A 19 33.509 35.302 13.081 1.00 20.00 O ATOM 257 OE2 GLU A 19 33.551 35.183 15.296 1.00 20.00 O ATOM 0 H GLU A 19 29.916 37.813 14.301 1.00 20.00 H new ATOM 0 HA GLU A 19 28.703 35.941 12.395 1.00 20.00 H new ATOM 0 HB2 GLU A 19 30.580 34.479 13.482 1.00 20.00 H new ATOM 0 HB3 GLU A 19 31.014 35.677 12.279 1.00 20.00 H new ATOM 0 HG2 GLU A 19 31.749 37.238 14.057 1.00 20.00 H new ATOM 0 HG3 GLU A 19 31.244 36.103 15.292 1.00 20.00 H new ATOM 264 N ALA A 20 28.396 35.893 15.664 1.00 20.00 N ATOM 265 CA ALA A 20 27.585 35.383 16.771 1.00 20.00 C ATOM 266 C ALA A 20 26.097 35.770 16.676 1.00 20.00 C ATOM 267 O ALA A 20 25.286 35.202 17.404 1.00 20.00 O ATOM 268 CB ALA A 20 28.176 35.891 18.090 1.00 20.00 C ATOM 0 H ALA A 20 29.006 36.664 15.938 1.00 20.00 H new ATOM 0 HA ALA A 20 27.616 34.295 16.721 1.00 20.00 H new ATOM 0 HB1 ALA A 20 27.580 35.518 18.923 1.00 20.00 H new ATOM 0 HB2 ALA A 20 29.202 35.536 18.190 1.00 20.00 H new ATOM 0 HB3 ALA A 20 28.167 36.981 18.097 1.00 20.00 H new ATOM 274 N ARG A 21 25.729 36.712 15.793 1.00 20.00 N ATOM 275 CA ARG A 21 24.360 37.195 15.610 1.00 20.00 C ATOM 276 C ARG A 21 23.474 36.089 15.034 1.00 20.00 C ATOM 277 O ARG A 21 23.760 35.550 13.965 1.00 20.00 O ATOM 278 CB ARG A 21 24.346 38.434 14.703 1.00 20.00 C ATOM 279 CG ARG A 21 25.061 39.613 15.373 1.00 20.00 C ATOM 280 CD ARG A 21 25.174 40.810 14.432 1.00 20.00 C ATOM 281 NE ARG A 21 26.079 41.822 14.996 1.00 20.00 N ATOM 282 CZ ARG A 21 26.204 43.084 14.571 1.00 20.00 C ATOM 283 NH1 ARG A 21 25.384 43.612 13.664 1.00 20.00 N ATOM 284 NH2 ARG A 21 27.181 43.841 15.057 1.00 20.00 N ATOM 0 H ARG A 21 26.397 37.168 15.172 1.00 20.00 H new ATOM 0 HA ARG A 21 23.959 37.479 16.583 1.00 20.00 H new ATOM 0 HB2 ARG A 21 24.831 38.201 13.755 1.00 20.00 H new ATOM 0 HB3 ARG A 21 23.317 38.710 14.475 1.00 20.00 H new ATOM 0 HG2 ARG A 21 24.518 39.906 16.271 1.00 20.00 H new ATOM 0 HG3 ARG A 21 26.057 39.303 15.690 1.00 20.00 H new ATOM 0 HD2 ARG A 21 25.544 40.483 13.460 1.00 20.00 H new ATOM 0 HD3 ARG A 21 24.188 41.246 14.267 1.00 20.00 H new ATOM 0 HE ARG A 21 26.664 41.536 15.781 1.00 20.00 H new ATOM 0 HH11 ARG A 21 24.630 43.050 13.270 1.00 20.00 H new ATOM 0 HH12 ARG A 21 25.510 44.579 13.364 1.00 20.00 H new ATOM 0 HH21 ARG A 21 27.827 43.459 15.748 1.00 20.00 H new ATOM 0 HH22 ARG A 21 27.285 44.805 14.740 1.00 20.00 H new ATOM 298 N LEU A 22 22.412 35.747 15.771 1.00 20.00 N ATOM 299 CA LEU A 22 21.484 34.668 15.445 1.00 20.00 C ATOM 300 C LEU A 22 20.387 35.110 14.468 1.00 20.00 C ATOM 301 O LEU A 22 20.216 36.297 14.186 1.00 20.00 O ATOM 302 CB LEU A 22 20.875 34.131 16.753 1.00 20.00 C ATOM 303 CG LEU A 22 21.904 33.337 17.580 1.00 20.00 C ATOM 304 CD1 LEU A 22 21.429 33.190 19.024 1.00 20.00 C ATOM 305 CD2 LEU A 22 22.137 31.940 16.989 1.00 20.00 C ATOM 0 H LEU A 22 22.170 36.230 16.636 1.00 20.00 H new ATOM 0 HA LEU A 22 22.037 33.878 14.937 1.00 20.00 H new ATOM 0 HB2 LEU A 22 20.497 34.963 17.346 1.00 20.00 H new ATOM 0 HB3 LEU A 22 20.023 33.491 16.522 1.00 20.00 H new ATOM 0 HG LEU A 22 22.841 33.893 17.553 1.00 20.00 H new ATOM 0 HD11 LEU A 22 22.167 32.627 19.594 1.00 20.00 H new ATOM 0 HD12 LEU A 22 21.304 34.178 19.468 1.00 20.00 H new ATOM 0 HD13 LEU A 22 20.476 32.661 19.042 1.00 20.00 H new ATOM 0 HD21 LEU A 22 22.868 31.406 17.596 1.00 20.00 H new ATOM 0 HD22 LEU A 22 21.198 31.387 16.982 1.00 20.00 H new ATOM 0 HD23 LEU A 22 22.511 32.034 15.969 1.00 20.00 H new ATOM 317 N SER A 23 19.638 34.119 13.966 1.00 20.00 N ATOM 318 CA SER A 23 18.477 34.298 13.092 1.00 20.00 C ATOM 319 C SER A 23 17.183 34.572 13.876 1.00 20.00 C ATOM 320 O SER A 23 16.205 35.044 13.298 1.00 20.00 O ATOM 321 CB SER A 23 18.310 33.051 12.215 1.00 20.00 C ATOM 322 OG SER A 23 18.024 31.903 12.990 1.00 20.00 O ATOM 0 H SER A 23 19.833 33.138 14.166 1.00 20.00 H new ATOM 0 HA SER A 23 18.660 35.176 12.472 1.00 20.00 H new ATOM 0 HB2 SER A 23 17.506 33.215 11.497 1.00 20.00 H new ATOM 0 HB3 SER A 23 19.221 32.885 11.641 1.00 20.00 H new ATOM 0 HG SER A 23 17.922 31.127 12.400 1.00 20.00 H new ATOM 328 N TYR A 24 17.182 34.283 15.184 1.00 20.00 N ATOM 329 CA TYR A 24 16.089 34.494 16.120 1.00 20.00 C ATOM 330 C TYR A 24 15.918 35.984 16.474 1.00 20.00 C ATOM 331 O TYR A 24 16.758 36.821 16.137 1.00 20.00 O ATOM 332 CB TYR A 24 16.437 33.700 17.385 1.00 20.00 C ATOM 333 CG TYR A 24 16.749 32.225 17.219 1.00 20.00 C ATOM 334 CD1 TYR A 24 17.909 31.713 17.827 1.00 20.00 C ATOM 335 CD2 TYR A 24 15.907 31.368 16.487 1.00 20.00 C ATOM 336 CE1 TYR A 24 18.263 30.365 17.679 1.00 20.00 C ATOM 337 CE2 TYR A 24 16.240 30.008 16.346 1.00 20.00 C ATOM 338 CZ TYR A 24 17.422 29.502 16.938 1.00 20.00 C ATOM 339 OH TYR A 24 17.747 28.185 16.798 1.00 20.00 O ATOM 0 H TYR A 24 17.998 33.871 15.636 1.00 20.00 H new ATOM 0 HA TYR A 24 15.150 34.165 15.675 1.00 20.00 H new ATOM 0 HB2 TYR A 24 17.298 34.176 17.855 1.00 20.00 H new ATOM 0 HB3 TYR A 24 15.603 33.792 18.081 1.00 20.00 H new ATOM 0 HD1 TYR A 24 18.535 32.367 18.416 1.00 20.00 H new ATOM 0 HD2 TYR A 24 15.006 31.754 16.034 1.00 20.00 H new ATOM 0 HE1 TYR A 24 19.171 29.988 18.127 1.00 20.00 H new ATOM 0 HE2 TYR A 24 15.593 29.350 15.785 1.00 20.00 H new ATOM 0 HH TYR A 24 17.062 27.734 16.261 1.00 20.00 H new ATOM 349 N GLY A 25 14.840 36.292 17.208 1.00 20.00 N ATOM 350 CA GLY A 25 14.549 37.600 17.789 1.00 20.00 C ATOM 351 C GLY A 25 14.154 37.491 19.265 1.00 20.00 C ATOM 352 O GLY A 25 14.130 36.400 19.834 1.00 20.00 O ATOM 0 H GLY A 25 14.118 35.603 17.419 1.00 20.00 H new ATOM 0 HA2 GLY A 25 15.424 38.243 17.693 1.00 20.00 H new ATOM 0 HA3 GLY A 25 13.742 38.074 17.231 1.00 20.00 H new ATOM 356 N GLY A 26 13.850 38.640 19.884 1.00 20.00 N ATOM 357 CA GLY A 26 13.463 38.743 21.291 1.00 20.00 C ATOM 358 C GLY A 26 14.337 39.702 22.105 1.00 20.00 C ATOM 359 O GLY A 26 14.452 39.520 23.317 1.00 20.00 O ATOM 0 H GLY A 26 13.868 39.541 19.407 1.00 20.00 H new ATOM 0 HA2 GLY A 26 12.426 39.073 21.349 1.00 20.00 H new ATOM 0 HA3 GLY A 26 13.508 37.753 21.744 1.00 20.00 H new ATOM 363 N CYS A 27 14.964 40.689 21.448 1.00 20.00 N ATOM 364 CA CYS A 27 15.936 41.614 22.026 1.00 20.00 C ATOM 365 C CYS A 27 15.574 43.076 21.735 1.00 20.00 C ATOM 366 O CYS A 27 14.558 43.354 21.097 1.00 20.00 O ATOM 367 CB CYS A 27 17.326 41.250 21.491 1.00 20.00 C ATOM 368 SG CYS A 27 17.981 39.685 22.125 1.00 20.00 S ATOM 0 H CYS A 27 14.797 40.868 20.458 1.00 20.00 H new ATOM 0 HA CYS A 27 15.930 41.518 23.112 1.00 20.00 H new ATOM 0 HB2 CYS A 27 17.282 41.198 20.403 1.00 20.00 H new ATOM 0 HB3 CYS A 27 18.021 42.051 21.744 1.00 20.00 H new ATOM 373 N SER A 28 16.409 44.009 22.220 1.00 20.00 N ATOM 374 CA SER A 28 16.219 45.449 22.030 1.00 20.00 C ATOM 375 C SER A 28 17.177 46.027 20.980 1.00 20.00 C ATOM 376 O SER A 28 16.981 47.162 20.552 1.00 20.00 O ATOM 377 CB SER A 28 16.400 46.186 23.363 1.00 20.00 C ATOM 378 OG SER A 28 15.452 45.775 24.327 1.00 20.00 O ATOM 0 H SER A 28 17.243 43.778 22.760 1.00 20.00 H new ATOM 0 HA SER A 28 15.203 45.596 21.664 1.00 20.00 H new ATOM 0 HB2 SER A 28 17.406 46.006 23.743 1.00 20.00 H new ATOM 0 HB3 SER A 28 16.309 47.260 23.199 1.00 20.00 H new ATOM 0 HG SER A 28 15.601 46.266 25.162 1.00 20.00 H new ATOM 384 N THR A 29 18.193 45.258 20.558 1.00 20.00 N ATOM 385 CA THR A 29 19.197 45.663 19.577 1.00 20.00 C ATOM 386 C THR A 29 19.481 44.504 18.616 1.00 20.00 C ATOM 387 O THR A 29 19.149 44.602 17.435 1.00 20.00 O ATOM 388 CB THR A 29 20.481 46.188 20.258 1.00 20.00 C ATOM 389 OG1 THR A 29 20.975 45.263 21.204 1.00 20.00 O ATOM 390 CG2 THR A 29 20.265 47.527 20.972 1.00 20.00 C ATOM 0 H THR A 29 18.338 44.309 20.904 1.00 20.00 H new ATOM 0 HA THR A 29 18.802 46.496 18.995 1.00 20.00 H new ATOM 0 HB THR A 29 21.202 46.328 19.453 1.00 20.00 H new ATOM 0 HG1 THR A 29 21.439 45.744 21.920 1.00 20.00 H new ATOM 0 HG21 THR A 29 21.199 47.849 21.432 1.00 20.00 H new ATOM 0 HG22 THR A 29 19.940 48.276 20.250 1.00 20.00 H new ATOM 0 HG23 THR A 29 19.502 47.410 21.742 1.00 20.00 H new ATOM 398 N VAL A 30 20.077 43.416 19.123 1.00 20.00 N ATOM 399 CA VAL A 30 20.403 42.190 18.395 1.00 20.00 C ATOM 400 C VAL A 30 20.600 41.045 19.407 1.00 20.00 C ATOM 401 O VAL A 30 20.956 41.295 20.561 1.00 20.00 O ATOM 402 CB VAL A 30 21.655 42.445 17.513 1.00 20.00 C ATOM 403 CG1 VAL A 30 22.964 42.602 18.306 1.00 20.00 C ATOM 404 CG2 VAL A 30 21.843 41.378 16.430 1.00 20.00 C ATOM 0 H VAL A 30 20.358 43.369 20.103 1.00 20.00 H new ATOM 0 HA VAL A 30 19.593 41.895 17.728 1.00 20.00 H new ATOM 0 HB VAL A 30 21.444 43.403 17.038 1.00 20.00 H new ATOM 0 HG11 VAL A 30 23.789 42.777 17.615 1.00 20.00 H new ATOM 0 HG12 VAL A 30 22.877 43.447 18.989 1.00 20.00 H new ATOM 0 HG13 VAL A 30 23.155 41.693 18.877 1.00 20.00 H new ATOM 0 HG21 VAL A 30 22.733 41.607 15.844 1.00 20.00 H new ATOM 0 HG22 VAL A 30 21.959 40.401 16.898 1.00 20.00 H new ATOM 0 HG23 VAL A 30 20.971 41.366 15.776 1.00 20.00 H new ATOM 414 N CYS A 31 20.402 39.790 18.980 1.00 20.00 N ATOM 415 CA CYS A 31 20.778 38.611 19.764 1.00 20.00 C ATOM 416 C CYS A 31 22.267 38.288 19.578 1.00 20.00 C ATOM 417 O CYS A 31 22.881 38.693 18.590 1.00 20.00 O ATOM 418 CB CYS A 31 19.924 37.404 19.363 1.00 20.00 C ATOM 419 SG CYS A 31 18.137 37.630 19.553 1.00 20.00 S ATOM 0 H CYS A 31 19.976 39.566 18.080 1.00 20.00 H new ATOM 0 HA CYS A 31 20.599 38.833 20.816 1.00 20.00 H new ATOM 0 HB2 CYS A 31 20.135 37.159 18.322 1.00 20.00 H new ATOM 0 HB3 CYS A 31 20.232 36.546 19.961 1.00 20.00 H new ATOM 424 N CYS A 32 22.837 37.522 20.518 1.00 20.00 N ATOM 425 CA CYS A 32 24.233 37.106 20.475 1.00 20.00 C ATOM 426 C CYS A 32 24.386 35.719 21.099 1.00 20.00 C ATOM 427 O CYS A 32 24.068 35.533 22.273 1.00 20.00 O ATOM 428 CB CYS A 32 25.098 38.150 21.200 1.00 20.00 C ATOM 429 SG CYS A 32 26.792 38.268 20.579 1.00 20.00 S ATOM 0 H CYS A 32 22.333 37.174 21.333 1.00 20.00 H new ATOM 0 HA CYS A 32 24.569 37.041 19.440 1.00 20.00 H new ATOM 0 HB2 CYS A 32 24.621 39.126 21.110 1.00 20.00 H new ATOM 0 HB3 CYS A 32 25.128 37.906 22.262 1.00 20.00 H new ATOM 434 N ASP A 33 24.859 34.753 20.300 1.00 20.00 N ATOM 435 CA ASP A 33 25.103 33.374 20.702 1.00 20.00 C ATOM 436 C ASP A 33 26.296 33.304 21.661 1.00 20.00 C ATOM 437 O ASP A 33 27.451 33.322 21.233 1.00 20.00 O ATOM 438 CB ASP A 33 25.318 32.496 19.457 1.00 20.00 C ATOM 439 CG ASP A 33 25.238 30.998 19.763 1.00 20.00 C ATOM 440 OD1 ASP A 33 24.707 30.269 18.899 1.00 20.00 O ATOM 441 OD2 ASP A 33 25.726 30.579 20.835 1.00 20.00 O ATOM 0 H ASP A 33 25.089 34.924 19.321 1.00 20.00 H new ATOM 0 HA ASP A 33 24.232 32.991 21.235 1.00 20.00 H new ATOM 0 HB2 ASP A 33 24.569 32.749 18.707 1.00 20.00 H new ATOM 0 HB3 ASP A 33 26.292 32.722 19.023 1.00 20.00 H new ATOM 446 N LEU A 34 26.002 33.223 22.964 1.00 20.00 N ATOM 447 CA LEU A 34 27.000 33.158 24.030 1.00 20.00 C ATOM 448 C LEU A 34 27.636 31.762 24.163 1.00 20.00 C ATOM 449 O LEU A 34 28.658 31.629 24.837 1.00 20.00 O ATOM 450 CB LEU A 34 26.365 33.580 25.369 1.00 20.00 C ATOM 451 CG LEU A 34 25.524 34.875 25.334 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.013 35.197 26.741 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.302 36.080 24.789 1.00 20.00 C ATOM 0 H LEU A 34 25.043 33.201 23.310 1.00 20.00 H new ATOM 0 HA LEU A 34 27.800 33.849 23.765 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.731 32.766 25.721 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.161 33.705 26.104 1.00 20.00 H new ATOM 0 HG LEU A 34 24.692 34.693 24.654 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.420 36.111 26.712 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.395 34.375 27.101 1.00 20.00 H new ATOM 0 HD13 LEU A 34 25.860 35.335 27.413 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.658 36.959 24.789 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.171 36.267 25.419 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.630 35.871 23.771 1.00 20.00 H new ATOM 465 N SER A 35 27.049 30.732 23.531 1.00 20.00 N ATOM 466 CA SER A 35 27.478 29.335 23.597 1.00 20.00 C ATOM 467 C SER A 35 28.588 28.992 22.585 1.00 20.00 C ATOM 468 O SER A 35 29.259 27.976 22.765 1.00 20.00 O ATOM 469 CB SER A 35 26.246 28.444 23.386 1.00 20.00 C ATOM 470 OG SER A 35 26.534 27.091 23.670 1.00 20.00 O ATOM 0 H SER A 35 26.230 30.861 22.937 1.00 20.00 H new ATOM 0 HA SER A 35 27.917 29.157 24.579 1.00 20.00 H new ATOM 0 HB2 SER A 35 25.433 28.787 24.026 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.901 28.536 22.356 1.00 20.00 H new ATOM 0 HG SER A 35 27.489 26.923 23.528 1.00 20.00 H new ATOM 476 N LYS A 36 28.819 29.833 21.563 1.00 20.00 N ATOM 477 CA LYS A 36 29.906 29.690 20.588 1.00 20.00 C ATOM 478 C LYS A 36 30.615 31.021 20.269 1.00 20.00 C ATOM 479 O LYS A 36 31.314 31.118 19.260 1.00 20.00 O ATOM 480 CB LYS A 36 29.404 28.974 19.320 1.00 20.00 C ATOM 481 CG LYS A 36 28.249 29.702 18.614 1.00 20.00 C ATOM 482 CD LYS A 36 28.164 29.336 17.126 1.00 20.00 C ATOM 483 CE LYS A 36 26.963 30.000 16.440 1.00 20.00 C ATOM 484 NZ LYS A 36 27.104 31.466 16.371 1.00 20.00 N ATOM 0 H LYS A 36 28.237 30.653 21.390 1.00 20.00 H new ATOM 0 HA LYS A 36 30.671 29.065 21.049 1.00 20.00 H new ATOM 0 HB2 LYS A 36 30.234 28.866 18.622 1.00 20.00 H new ATOM 0 HB3 LYS A 36 29.079 27.968 19.586 1.00 20.00 H new ATOM 0 HG2 LYS A 36 27.308 29.450 19.104 1.00 20.00 H new ATOM 0 HG3 LYS A 36 28.383 30.779 18.716 1.00 20.00 H new ATOM 0 HD2 LYS A 36 29.082 29.641 16.624 1.00 20.00 H new ATOM 0 HD3 LYS A 36 28.088 28.254 17.022 1.00 20.00 H new ATOM 0 HE2 LYS A 36 26.854 29.599 15.432 1.00 20.00 H new ATOM 0 HE3 LYS A 36 26.052 29.749 16.983 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 26.315 31.915 16.879 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 28.004 31.749 16.809 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 27.093 31.769 15.376 1.00 20.00 H new ATOM 498 N LEU A 37 30.446 32.044 21.117 1.00 20.00 N ATOM 499 CA LEU A 37 31.094 33.351 20.985 1.00 20.00 C ATOM 500 C LEU A 37 32.629 33.227 21.022 1.00 20.00 C ATOM 501 O LEU A 37 33.315 33.896 20.249 1.00 20.00 O ATOM 502 CB LEU A 37 30.595 34.276 22.114 1.00 20.00 C ATOM 503 CG LEU A 37 30.350 35.739 21.691 1.00 20.00 C ATOM 504 CD1 LEU A 37 29.729 36.495 22.871 1.00 20.00 C ATOM 505 CD2 LEU A 37 31.625 36.473 21.254 1.00 20.00 C ATOM 0 H LEU A 37 29.839 31.982 21.934 1.00 20.00 H new ATOM 0 HA LEU A 37 30.830 33.778 20.017 1.00 20.00 H new ATOM 0 HB2 LEU A 37 29.667 33.868 22.515 1.00 20.00 H new ATOM 0 HB3 LEU A 37 31.325 34.264 22.924 1.00 20.00 H new ATOM 0 HG LEU A 37 29.685 35.713 20.828 1.00 20.00 H new ATOM 0 HD11 LEU A 37 29.550 37.532 22.585 1.00 20.00 H new ATOM 0 HD12 LEU A 37 28.784 36.027 23.147 1.00 20.00 H new ATOM 0 HD13 LEU A 37 30.410 36.465 23.721 1.00 20.00 H new ATOM 0 HD21 LEU A 37 31.377 37.496 20.971 1.00 20.00 H new ATOM 0 HD22 LEU A 37 32.337 36.488 22.079 1.00 20.00 H new ATOM 0 HD23 LEU A 37 32.068 35.958 20.402 1.00 20.00 H new ATOM 517 N THR A 38 33.155 32.366 21.908 1.00 20.00 N ATOM 518 CA THR A 38 34.581 32.241 22.216 1.00 20.00 C ATOM 519 C THR A 38 35.032 30.770 22.287 1.00 20.00 C ATOM 520 O THR A 38 34.212 29.850 22.316 1.00 20.00 O ATOM 521 CB THR A 38 34.873 33.043 23.503 1.00 20.00 C ATOM 522 OG1 THR A 38 36.261 33.139 23.719 1.00 20.00 O ATOM 523 CG2 THR A 38 34.222 32.469 24.768 1.00 20.00 C ATOM 0 H THR A 38 32.577 31.719 22.445 1.00 20.00 H new ATOM 0 HA THR A 38 35.176 32.665 21.407 1.00 20.00 H new ATOM 0 HB THR A 38 34.430 34.024 23.331 1.00 20.00 H new ATOM 0 HG1 THR A 38 36.430 33.651 24.537 1.00 20.00 H new ATOM 0 HG21 THR A 38 34.478 33.093 25.624 1.00 20.00 H new ATOM 0 HG22 THR A 38 33.139 32.451 24.644 1.00 20.00 H new ATOM 0 HG23 THR A 38 34.585 31.455 24.936 1.00 20.00 H new ATOM 531 N GLY A 39 36.356 30.564 22.306 1.00 20.00 N ATOM 532 CA GLY A 39 37.029 29.271 22.259 1.00 20.00 C ATOM 533 C GLY A 39 38.498 29.387 22.681 1.00 20.00 C ATOM 534 O GLY A 39 38.850 30.277 23.457 1.00 20.00 O ATOM 0 H GLY A 39 37.016 31.340 22.357 1.00 20.00 H new ATOM 0 HA2 GLY A 39 36.515 28.568 22.915 1.00 20.00 H new ATOM 0 HA3 GLY A 39 36.970 28.866 21.249 1.00 20.00 H new ATOM 538 N CYS A 40 39.342 28.469 22.182 1.00 20.00 N ATOM 539 CA CYS A 40 40.778 28.404 22.464 1.00 20.00 C ATOM 540 C CYS A 40 41.454 29.736 22.117 1.00 20.00 C ATOM 541 O CYS A 40 41.982 30.416 22.997 1.00 20.00 O ATOM 542 CB CYS A 40 41.403 27.231 21.687 1.00 20.00 C ATOM 543 SG CYS A 40 43.067 26.705 22.210 1.00 20.00 S ATOM 0 H CYS A 40 39.030 27.730 21.552 1.00 20.00 H new ATOM 0 HA CYS A 40 40.932 28.230 23.529 1.00 20.00 H new ATOM 0 HB2 CYS A 40 40.734 26.374 21.766 1.00 20.00 H new ATOM 0 HB3 CYS A 40 41.447 27.505 20.633 1.00 20.00 H new ATOM 548 N LYS A 41 41.384 30.117 20.834 1.00 20.00 N ATOM 549 CA LYS A 41 41.905 31.366 20.277 1.00 20.00 C ATOM 550 C LYS A 41 41.182 32.625 20.781 1.00 20.00 C ATOM 551 O LYS A 41 41.715 33.723 20.620 1.00 20.00 O ATOM 552 CB LYS A 41 41.832 31.291 18.741 1.00 20.00 C ATOM 553 CG LYS A 41 42.837 30.307 18.116 1.00 20.00 C ATOM 554 CD LYS A 41 44.287 30.785 18.277 1.00 20.00 C ATOM 555 CE LYS A 41 45.253 29.850 17.554 1.00 20.00 C ATOM 556 NZ LYS A 41 46.642 30.321 17.684 1.00 20.00 N ATOM 0 H LYS A 41 40.941 29.532 20.125 1.00 20.00 H new ATOM 0 HA LYS A 41 42.936 31.464 20.618 1.00 20.00 H new ATOM 0 HB2 LYS A 41 40.823 30.999 18.449 1.00 20.00 H new ATOM 0 HB3 LYS A 41 42.008 32.285 18.330 1.00 20.00 H new ATOM 0 HG2 LYS A 41 42.724 29.328 18.583 1.00 20.00 H new ATOM 0 HG3 LYS A 41 42.612 30.183 17.057 1.00 20.00 H new ATOM 0 HD2 LYS A 41 44.387 31.795 17.880 1.00 20.00 H new ATOM 0 HD3 LYS A 41 44.543 30.831 19.335 1.00 20.00 H new ATOM 0 HE2 LYS A 41 45.167 28.844 17.965 1.00 20.00 H new ATOM 0 HE3 LYS A 41 44.984 29.788 16.500 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 47.291 29.588 17.334 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 46.768 31.190 17.126 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 46.849 30.519 18.684 1.00 20.00 H new ATOM 570 N GLY A 42 40.018 32.481 21.430 1.00 20.00 N ATOM 571 CA GLY A 42 39.248 33.579 22.003 1.00 20.00 C ATOM 572 C GLY A 42 39.814 34.127 23.321 1.00 20.00 C ATOM 573 O GLY A 42 39.304 35.128 23.822 1.00 20.00 O ATOM 0 H GLY A 42 39.580 31.571 21.571 1.00 20.00 H new ATOM 0 HA2 GLY A 42 39.199 34.391 21.277 1.00 20.00 H new ATOM 0 HA3 GLY A 42 38.226 33.241 22.173 1.00 20.00 H new ATOM 577 N LYS A 43 40.865 33.493 23.862 1.00 20.00 N ATOM 578 CA LYS A 43 41.552 33.853 25.104 1.00 20.00 C ATOM 579 C LYS A 43 43.063 34.065 24.921 1.00 20.00 C ATOM 580 O LYS A 43 43.690 34.672 25.791 1.00 20.00 O ATOM 581 CB LYS A 43 41.304 32.730 26.122 1.00 20.00 C ATOM 582 CG LYS A 43 39.962 32.868 26.857 1.00 20.00 C ATOM 583 CD LYS A 43 40.028 33.916 27.977 1.00 20.00 C ATOM 584 CE LYS A 43 38.705 34.014 28.740 1.00 20.00 C ATOM 585 NZ LYS A 43 37.650 34.648 27.929 1.00 20.00 N ATOM 0 H LYS A 43 41.278 32.672 23.419 1.00 20.00 H new ATOM 0 HA LYS A 43 41.152 34.806 25.450 1.00 20.00 H new ATOM 0 HB2 LYS A 43 41.333 31.769 25.608 1.00 20.00 H new ATOM 0 HB3 LYS A 43 42.113 32.725 26.853 1.00 20.00 H new ATOM 0 HG2 LYS A 43 39.185 33.146 26.145 1.00 20.00 H new ATOM 0 HG3 LYS A 43 39.678 31.904 27.278 1.00 20.00 H new ATOM 0 HD2 LYS A 43 40.829 33.658 28.670 1.00 20.00 H new ATOM 0 HD3 LYS A 43 40.275 34.888 27.551 1.00 20.00 H new ATOM 0 HE2 LYS A 43 38.383 33.016 29.039 1.00 20.00 H new ATOM 0 HE3 LYS A 43 38.855 34.588 29.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 36.779 34.727 28.492 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 37.960 35.597 27.636 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 37.465 34.069 27.085 1.00 20.00 H new ATOM 599 N GLY A 44 43.635 33.579 23.811 1.00 20.00 N ATOM 600 CA GLY A 44 45.065 33.611 23.518 1.00 20.00 C ATOM 601 C GLY A 44 45.619 32.215 23.223 1.00 20.00 C ATOM 602 O GLY A 44 46.745 31.913 23.620 1.00 20.00 O ATOM 0 H GLY A 44 43.091 33.138 23.069 1.00 20.00 H new ATOM 0 HA2 GLY A 44 45.246 34.261 22.662 1.00 20.00 H new ATOM 0 HA3 GLY A 44 45.599 34.042 24.365 1.00 20.00 H new ATOM 606 N GLY A 45 44.821 31.358 22.569 1.00 20.00 N ATOM 607 CA GLY A 45 45.127 29.956 22.312 1.00 20.00 C ATOM 608 C GLY A 45 46.396 29.747 21.483 1.00 20.00 C ATOM 609 O GLY A 45 46.828 30.626 20.737 1.00 20.00 O ATOM 0 H GLY A 45 43.915 31.639 22.194 1.00 20.00 H new ATOM 0 HA2 GLY A 45 45.235 29.436 23.264 1.00 20.00 H new ATOM 0 HA3 GLY A 45 44.285 29.498 21.793 1.00 20.00 H new ATOM 613 N GLU A 46 46.970 28.548 21.613 1.00 20.00 N ATOM 614 CA GLU A 46 48.232 28.154 20.992 1.00 20.00 C ATOM 615 C GLU A 46 48.189 26.666 20.626 1.00 20.00 C ATOM 616 O GLU A 46 47.458 25.898 21.249 1.00 20.00 O ATOM 617 CB GLU A 46 49.364 28.463 21.991 1.00 20.00 C ATOM 618 CG GLU A 46 50.790 28.239 21.466 1.00 20.00 C ATOM 619 CD GLU A 46 51.096 29.053 20.209 1.00 20.00 C ATOM 620 OE1 GLU A 46 50.901 28.506 19.101 1.00 20.00 O ATOM 621 OE2 GLU A 46 51.532 30.216 20.363 1.00 20.00 O ATOM 0 H GLU A 46 46.554 27.803 22.172 1.00 20.00 H new ATOM 0 HA GLU A 46 48.406 28.707 20.069 1.00 20.00 H new ATOM 0 HB2 GLU A 46 49.271 29.502 22.308 1.00 20.00 H new ATOM 0 HB3 GLU A 46 49.221 27.845 22.878 1.00 20.00 H new ATOM 0 HG2 GLU A 46 51.504 28.502 22.246 1.00 20.00 H new ATOM 0 HG3 GLU A 46 50.930 27.180 21.250 1.00 20.00 H new ATOM 628 N CYS A 47 49.005 26.265 19.642 1.00 20.00 N ATOM 629 CA CYS A 47 49.147 24.898 19.156 1.00 20.00 C ATOM 630 C CYS A 47 50.488 24.327 19.643 1.00 20.00 C ATOM 631 O CYS A 47 51.552 24.805 19.248 1.00 20.00 O ATOM 632 CB CYS A 47 49.014 24.906 17.630 1.00 20.00 C ATOM 633 SG CYS A 47 48.822 23.285 16.839 1.00 20.00 S ATOM 0 H CYS A 47 49.609 26.919 19.145 1.00 20.00 H new ATOM 0 HA CYS A 47 48.365 24.249 19.549 1.00 20.00 H new ATOM 0 HB2 CYS A 47 48.155 25.522 17.363 1.00 20.00 H new ATOM 0 HB3 CYS A 47 49.896 25.390 17.211 1.00 20.00 H new ATOM 638 N ASN A 48 50.420 23.341 20.545 1.00 20.00 N ATOM 639 CA ASN A 48 51.516 22.798 21.351 1.00 20.00 C ATOM 640 C ASN A 48 51.375 21.269 21.484 1.00 20.00 C ATOM 641 O ASN A 48 50.262 20.763 21.359 1.00 20.00 O ATOM 642 CB ASN A 48 51.480 23.494 22.726 1.00 20.00 C ATOM 643 CG ASN A 48 50.112 23.435 23.407 1.00 20.00 C ATOM 644 OD1 ASN A 48 49.270 24.432 23.143 1.00 20.00 O flip ATOM 645 ND2 ASN A 48 49.818 22.513 24.162 1.00 20.00 N flip ATOM 0 H ASN A 48 49.537 22.870 20.743 1.00 20.00 H new ATOM 0 HA ASN A 48 52.478 22.987 20.874 1.00 20.00 H new ATOM 0 HB2 ASN A 48 52.221 23.031 23.378 1.00 20.00 H new ATOM 0 HB3 ASN A 48 51.771 24.537 22.603 1.00 20.00 H new ATOM 0 HD21 ASN A 48 50.489 21.766 24.340 1.00 20.00 H new ATOM 0 HD22 ASN A 48 48.902 22.494 24.611 1.00 20.00 H new ATOM 652 N PRO A 49 52.464 20.515 21.748 1.00 20.00 N ATOM 653 CA PRO A 49 52.459 19.050 21.694 1.00 20.00 C ATOM 654 C PRO A 49 51.538 18.402 22.738 1.00 20.00 C ATOM 655 O PRO A 49 51.187 19.016 23.745 1.00 20.00 O ATOM 656 CB PRO A 49 53.920 18.622 21.873 1.00 20.00 C ATOM 657 CG PRO A 49 54.563 19.808 22.582 1.00 20.00 C ATOM 658 CD PRO A 49 53.813 20.997 21.997 1.00 20.00 C ATOM 0 HA PRO A 49 52.052 18.710 20.742 1.00 20.00 H new ATOM 0 HB2 PRO A 49 54.000 17.711 22.466 1.00 20.00 H new ATOM 0 HB3 PRO A 49 54.398 18.422 20.914 1.00 20.00 H new ATOM 0 HG2 PRO A 49 54.443 19.746 23.664 1.00 20.00 H new ATOM 0 HG3 PRO A 49 55.633 19.867 22.383 1.00 20.00 H new ATOM 0 HD2 PRO A 49 53.808 21.839 22.690 1.00 20.00 H new ATOM 0 HD3 PRO A 49 54.283 21.344 21.077 1.00 20.00 H new ATOM 666 N LEU A 50 51.181 17.129 22.508 1.00 20.00 N ATOM 667 CA LEU A 50 50.411 16.315 23.452 1.00 20.00 C ATOM 668 C LEU A 50 51.202 16.006 24.734 1.00 20.00 C ATOM 669 O LEU A 50 50.594 15.685 25.755 1.00 20.00 O ATOM 670 CB LEU A 50 49.959 15.003 22.784 1.00 20.00 C ATOM 671 CG LEU A 50 48.897 15.185 21.681 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.718 13.873 20.907 1.00 20.00 C ATOM 673 CD2 LEU A 50 47.537 15.622 22.243 1.00 20.00 C ATOM 0 H LEU A 50 51.423 16.633 21.650 1.00 20.00 H new ATOM 0 HA LEU A 50 49.536 16.898 23.739 1.00 20.00 H new ATOM 0 HB2 LEU A 50 50.830 14.509 22.355 1.00 20.00 H new ATOM 0 HB3 LEU A 50 49.560 14.338 23.550 1.00 20.00 H new ATOM 0 HG LEU A 50 49.257 15.974 21.020 1.00 20.00 H new ATOM 0 HD11 LEU A 50 47.966 14.009 20.129 1.00 20.00 H new ATOM 0 HD12 LEU A 50 49.666 13.588 20.450 1.00 20.00 H new ATOM 0 HD13 LEU A 50 48.395 13.088 21.591 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.825 15.736 21.425 1.00 20.00 H new ATOM 0 HD22 LEU A 50 47.172 14.867 22.940 1.00 20.00 H new ATOM 0 HD23 LEU A 50 47.647 16.573 22.763 1.00 20.00 H new ATOM 685 N ASP A 51 52.535 16.152 24.696 1.00 20.00 N ATOM 686 CA ASP A 51 53.444 16.051 25.835 1.00 20.00 C ATOM 687 C ASP A 51 53.234 17.191 26.843 1.00 20.00 C ATOM 688 O ASP A 51 53.583 17.037 28.014 1.00 20.00 O ATOM 689 CB ASP A 51 54.886 16.085 25.307 1.00 20.00 C ATOM 690 CG ASP A 51 55.155 14.955 24.312 1.00 20.00 C ATOM 691 OD1 ASP A 51 55.416 13.825 24.781 1.00 20.00 O ATOM 692 OD2 ASP A 51 55.076 15.224 23.093 1.00 20.00 O ATOM 0 H ASP A 51 53.027 16.353 23.825 1.00 20.00 H new ATOM 0 HA ASP A 51 53.242 15.117 26.359 1.00 20.00 H new ATOM 0 HB2 ASP A 51 55.074 17.045 24.826 1.00 20.00 H new ATOM 0 HB3 ASP A 51 55.581 16.006 26.143 1.00 20.00 H new ATOM 697 N ARG A 52 52.654 18.315 26.391 1.00 20.00 N ATOM 698 CA ARG A 52 52.263 19.452 27.208 1.00 20.00 C ATOM 699 C ARG A 52 50.947 19.127 27.925 1.00 20.00 C ATOM 700 O ARG A 52 49.948 18.800 27.280 1.00 20.00 O ATOM 701 CB ARG A 52 52.116 20.694 26.311 1.00 20.00 C ATOM 702 CG ARG A 52 52.357 22.021 27.047 1.00 20.00 C ATOM 703 CD ARG A 52 53.818 22.491 26.976 1.00 20.00 C ATOM 704 NE ARG A 52 54.744 21.625 27.720 1.00 20.00 N ATOM 705 CZ ARG A 52 55.196 21.819 28.967 1.00 20.00 C ATOM 706 NH1 ARG A 52 54.793 22.850 29.713 1.00 20.00 N ATOM 707 NH2 ARG A 52 56.072 20.956 29.479 1.00 20.00 N ATOM 0 H ARG A 52 52.440 18.452 25.403 1.00 20.00 H new ATOM 0 HA ARG A 52 53.024 19.660 27.960 1.00 20.00 H new ATOM 0 HB2 ARG A 52 52.818 20.617 25.481 1.00 20.00 H new ATOM 0 HB3 ARG A 52 51.114 20.704 25.881 1.00 20.00 H new ATOM 0 HG2 ARG A 52 51.713 22.789 26.619 1.00 20.00 H new ATOM 0 HG3 ARG A 52 52.068 21.908 28.092 1.00 20.00 H new ATOM 0 HD2 ARG A 52 54.129 22.532 25.932 1.00 20.00 H new ATOM 0 HD3 ARG A 52 53.886 23.506 27.369 1.00 20.00 H new ATOM 0 HE ARG A 52 55.077 20.790 27.238 1.00 20.00 H new ATOM 0 HH11 ARG A 52 54.121 23.519 29.338 1.00 20.00 H new ATOM 0 HH12 ARG A 52 55.157 22.968 30.659 1.00 20.00 H new ATOM 0 HH21 ARG A 52 56.389 20.161 28.924 1.00 20.00 H new ATOM 0 HH22 ARG A 52 56.425 21.090 30.426 1.00 20.00 H new ATOM 721 N GLN A 53 50.961 19.209 29.261 1.00 20.00 N ATOM 722 CA GLN A 53 49.814 18.925 30.122 1.00 20.00 C ATOM 723 C GLN A 53 48.744 20.008 29.967 1.00 20.00 C ATOM 724 O GLN A 53 48.887 21.116 30.486 1.00 20.00 O ATOM 725 CB GLN A 53 50.247 18.795 31.589 1.00 20.00 C ATOM 726 CG GLN A 53 50.916 17.444 31.885 1.00 20.00 C ATOM 727 CD GLN A 53 51.347 17.292 33.348 1.00 20.00 C ATOM 728 OE1 GLN A 53 50.944 18.055 34.224 1.00 20.00 O ATOM 729 NE2 GLN A 53 52.170 16.284 33.632 1.00 20.00 N ATOM 0 H GLN A 53 51.793 19.482 29.783 1.00 20.00 H new ATOM 0 HA GLN A 53 49.386 17.972 29.812 1.00 20.00 H new ATOM 0 HB2 GLN A 53 50.939 19.601 31.834 1.00 20.00 H new ATOM 0 HB3 GLN A 53 49.377 18.915 32.234 1.00 20.00 H new ATOM 0 HG2 GLN A 53 50.225 16.640 31.631 1.00 20.00 H new ATOM 0 HG3 GLN A 53 51.789 17.329 31.242 1.00 20.00 H new ATOM 0 HE21 GLN A 53 52.492 15.663 32.889 1.00 20.00 H new ATOM 0 HE22 GLN A 53 52.479 16.133 34.592 1.00 20.00 H new ATOM 738 N CYS A 54 47.675 19.666 29.241 1.00 20.00 N ATOM 739 CA CYS A 54 46.490 20.492 29.042 1.00 20.00 C ATOM 740 C CYS A 54 45.304 19.624 28.603 1.00 20.00 C ATOM 741 O CYS A 54 45.446 18.424 28.353 1.00 20.00 O ATOM 742 CB CYS A 54 46.787 21.565 27.985 1.00 20.00 C ATOM 743 SG CYS A 54 45.792 23.074 28.084 1.00 20.00 S ATOM 0 H CYS A 54 47.614 18.769 28.759 1.00 20.00 H new ATOM 0 HA CYS A 54 46.229 20.978 29.982 1.00 20.00 H new ATOM 0 HB2 CYS A 54 47.839 21.841 28.062 1.00 20.00 H new ATOM 0 HB3 CYS A 54 46.645 21.124 26.998 1.00 20.00 H new ATOM 748 N LYS A 55 44.136 20.261 28.475 1.00 20.00 N ATOM 749 CA LYS A 55 42.930 19.675 27.902 1.00 20.00 C ATOM 750 C LYS A 55 43.041 19.676 26.375 1.00 20.00 C ATOM 751 O LYS A 55 43.519 20.646 25.787 1.00 20.00 O ATOM 752 CB LYS A 55 41.701 20.466 28.383 1.00 20.00 C ATOM 753 CG LYS A 55 40.395 19.850 27.860 1.00 20.00 C ATOM 754 CD LYS A 55 39.161 20.472 28.516 1.00 20.00 C ATOM 755 CE LYS A 55 37.904 19.802 27.957 1.00 20.00 C ATOM 756 NZ LYS A 55 36.681 20.373 28.545 1.00 20.00 N ATOM 0 H LYS A 55 44.004 21.226 28.777 1.00 20.00 H new ATOM 0 HA LYS A 55 42.816 18.642 28.231 1.00 20.00 H new ATOM 0 HB2 LYS A 55 41.684 20.487 29.473 1.00 20.00 H new ATOM 0 HB3 LYS A 55 41.778 21.500 28.046 1.00 20.00 H new ATOM 0 HG2 LYS A 55 40.338 19.986 26.780 1.00 20.00 H new ATOM 0 HG3 LYS A 55 40.401 18.776 28.046 1.00 20.00 H new ATOM 0 HD2 LYS A 55 39.206 20.344 29.598 1.00 20.00 H new ATOM 0 HD3 LYS A 55 39.133 21.544 28.323 1.00 20.00 H new ATOM 0 HE2 LYS A 55 37.878 19.921 26.874 1.00 20.00 H new ATOM 0 HE3 LYS A 55 37.941 18.732 28.159 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 35.848 19.896 28.144 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 36.695 20.237 29.576 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 36.635 21.390 28.331 1.00 20.00 H new ATOM 770 N GLU A 56 42.555 18.597 25.750 1.00 20.00 N ATOM 771 CA GLU A 56 42.444 18.444 24.304 1.00 20.00 C ATOM 772 C GLU A 56 40.982 18.633 23.889 1.00 20.00 C ATOM 773 O GLU A 56 40.072 18.075 24.505 1.00 20.00 O ATOM 774 CB GLU A 56 43.000 17.071 23.895 1.00 20.00 C ATOM 775 CG GLU A 56 43.350 16.971 22.403 1.00 20.00 C ATOM 776 CD GLU A 56 42.292 16.247 21.563 1.00 20.00 C ATOM 777 OE1 GLU A 56 42.571 15.096 21.158 1.00 20.00 O ATOM 778 OE2 GLU A 56 41.223 16.846 21.313 1.00 20.00 O ATOM 0 H GLU A 56 42.218 17.781 26.260 1.00 20.00 H new ATOM 0 HA GLU A 56 43.033 19.202 23.786 1.00 20.00 H new ATOM 0 HB2 GLU A 56 43.892 16.859 24.484 1.00 20.00 H new ATOM 0 HB3 GLU A 56 42.266 16.303 24.140 1.00 20.00 H new ATOM 0 HG2 GLU A 56 43.490 17.976 22.005 1.00 20.00 H new ATOM 0 HG3 GLU A 56 44.302 16.451 22.297 1.00 20.00 H new ATOM 785 N LEU A 57 40.781 19.438 22.842 1.00 20.00 N ATOM 786 CA LEU A 57 39.495 19.929 22.363 1.00 20.00 C ATOM 787 C LEU A 57 39.378 19.773 20.843 1.00 20.00 C ATOM 788 O LEU A 57 40.192 20.301 20.087 1.00 20.00 O ATOM 789 CB LEU A 57 39.298 21.378 22.826 1.00 20.00 C ATOM 790 CG LEU A 57 40.460 22.350 22.508 1.00 20.00 C ATOM 791 CD1 LEU A 57 39.937 23.640 21.875 1.00 20.00 C ATOM 792 CD2 LEU A 57 41.260 22.697 23.772 1.00 20.00 C ATOM 0 H LEU A 57 41.558 19.781 22.277 1.00 20.00 H new ATOM 0 HA LEU A 57 38.692 19.329 22.791 1.00 20.00 H new ATOM 0 HB2 LEU A 57 38.389 21.766 22.367 1.00 20.00 H new ATOM 0 HB3 LEU A 57 39.135 21.376 23.904 1.00 20.00 H new ATOM 0 HG LEU A 57 41.117 21.842 21.802 1.00 20.00 H new ATOM 0 HD11 LEU A 57 40.773 24.306 21.661 1.00 20.00 H new ATOM 0 HD12 LEU A 57 39.415 23.405 20.948 1.00 20.00 H new ATOM 0 HD13 LEU A 57 39.250 24.131 22.564 1.00 20.00 H new ATOM 0 HD21 LEU A 57 42.069 23.381 23.514 1.00 20.00 H new ATOM 0 HD22 LEU A 57 40.602 23.171 24.500 1.00 20.00 H new ATOM 0 HD23 LEU A 57 41.678 21.786 24.200 1.00 20.00 H new ATOM 804 N GLN A 58 38.346 19.042 20.404 1.00 20.00 N ATOM 805 CA GLN A 58 38.124 18.620 19.019 1.00 20.00 C ATOM 806 C GLN A 58 37.880 19.780 18.040 1.00 20.00 C ATOM 807 O GLN A 58 38.007 19.584 16.832 1.00 20.00 O ATOM 808 CB GLN A 58 36.947 17.630 18.978 1.00 20.00 C ATOM 809 CG GLN A 58 37.221 16.357 19.797 1.00 20.00 C ATOM 810 CD GLN A 58 36.052 15.371 19.789 1.00 20.00 C ATOM 811 OE1 GLN A 58 35.330 15.238 18.803 1.00 20.00 O ATOM 812 NE2 GLN A 58 35.862 14.659 20.899 1.00 20.00 N ATOM 0 H GLN A 58 37.612 18.715 21.033 1.00 20.00 H new ATOM 0 HA GLN A 58 39.045 18.144 18.683 1.00 20.00 H new ATOM 0 HB2 GLN A 58 36.051 18.119 19.361 1.00 20.00 H new ATOM 0 HB3 GLN A 58 36.743 17.356 17.943 1.00 20.00 H new ATOM 0 HG2 GLN A 58 38.108 15.862 19.401 1.00 20.00 H new ATOM 0 HG3 GLN A 58 37.445 16.636 20.826 1.00 20.00 H new ATOM 0 HE21 GLN A 58 36.478 14.791 21.701 1.00 20.00 H new ATOM 0 HE22 GLN A 58 35.101 13.982 20.946 1.00 20.00 H new ATOM 821 N ALA A 59 37.568 20.982 18.545 1.00 20.00 N ATOM 822 CA ALA A 59 37.351 22.193 17.763 1.00 20.00 C ATOM 823 C ALA A 59 38.629 22.747 17.109 1.00 20.00 C ATOM 824 O ALA A 59 38.525 23.455 16.108 1.00 20.00 O ATOM 825 CB ALA A 59 36.746 23.247 18.695 1.00 20.00 C ATOM 0 H ALA A 59 37.457 21.136 19.547 1.00 20.00 H new ATOM 0 HA ALA A 59 36.682 21.944 16.939 1.00 20.00 H new ATOM 0 HB1 ALA A 59 36.571 24.168 18.138 1.00 20.00 H new ATOM 0 HB2 ALA A 59 35.801 22.880 19.095 1.00 20.00 H new ATOM 0 HB3 ALA A 59 37.435 23.445 19.516 1.00 20.00 H new ATOM 831 N GLU A 60 39.813 22.442 17.666 1.00 20.00 N ATOM 832 CA GLU A 60 41.087 23.083 17.322 1.00 20.00 C ATOM 833 C GLU A 60 42.243 22.084 17.243 1.00 20.00 C ATOM 834 O GLU A 60 43.112 22.226 16.385 1.00 20.00 O ATOM 835 CB GLU A 60 41.434 24.125 18.382 1.00 20.00 C ATOM 836 CG GLU A 60 40.507 25.336 18.359 1.00 20.00 C ATOM 837 CD GLU A 60 40.775 26.262 17.172 1.00 20.00 C ATOM 838 OE1 GLU A 60 41.837 26.923 17.189 1.00 20.00 O ATOM 839 OE2 GLU A 60 39.914 26.317 16.265 1.00 20.00 O ATOM 0 H GLU A 60 39.910 21.725 18.385 1.00 20.00 H new ATOM 0 HA GLU A 60 40.959 23.539 16.340 1.00 20.00 H new ATOM 0 HB2 GLU A 60 41.390 23.660 19.367 1.00 20.00 H new ATOM 0 HB3 GLU A 60 42.461 24.458 18.232 1.00 20.00 H new ATOM 0 HG2 GLU A 60 39.472 24.996 18.323 1.00 20.00 H new ATOM 0 HG3 GLU A 60 40.626 25.897 19.286 1.00 20.00 H new ATOM 846 N SER A 61 42.260 21.085 18.134 1.00 20.00 N ATOM 847 CA SER A 61 43.262 20.021 18.166 1.00 20.00 C ATOM 848 C SER A 61 43.216 19.135 16.914 1.00 20.00 C ATOM 849 O SER A 61 44.253 18.616 16.506 1.00 20.00 O ATOM 850 CB SER A 61 43.055 19.167 19.418 1.00 20.00 C ATOM 851 OG SER A 61 44.030 18.147 19.486 1.00 20.00 O ATOM 0 H SER A 61 41.559 20.995 18.869 1.00 20.00 H new ATOM 0 HA SER A 61 44.245 20.492 18.188 1.00 20.00 H new ATOM 0 HB2 SER A 61 43.113 19.794 20.307 1.00 20.00 H new ATOM 0 HB3 SER A 61 42.058 18.726 19.404 1.00 20.00 H new ATOM 0 HG SER A 61 43.606 17.278 19.326 1.00 20.00 H new ATOM 857 N ALA A 62 42.039 18.986 16.290 1.00 20.00 N ATOM 858 CA ALA A 62 41.884 18.297 15.014 1.00 20.00 C ATOM 859 C ALA A 62 42.596 19.044 13.874 1.00 20.00 C ATOM 860 O ALA A 62 43.101 18.402 12.952 1.00 20.00 O ATOM 861 CB ALA A 62 40.391 18.140 14.717 1.00 20.00 C ATOM 0 H ALA A 62 41.162 19.347 16.666 1.00 20.00 H new ATOM 0 HA ALA A 62 42.351 17.314 15.083 1.00 20.00 H new ATOM 0 HB1 ALA A 62 40.262 17.626 13.765 1.00 20.00 H new ATOM 0 HB2 ALA A 62 39.921 17.558 15.510 1.00 20.00 H new ATOM 0 HB3 ALA A 62 39.925 19.124 14.664 1.00 20.00 H new ATOM 867 N SER A 63 42.667 20.382 13.954 1.00 20.00 N ATOM 868 CA SER A 63 43.377 21.242 13.011 1.00 20.00 C ATOM 869 C SER A 63 44.887 21.265 13.280 1.00 20.00 C ATOM 870 O SER A 63 45.657 21.346 12.324 1.00 20.00 O ATOM 871 CB SER A 63 42.801 22.660 13.062 1.00 20.00 C ATOM 872 OG SER A 63 41.424 22.641 12.784 1.00 20.00 O ATOM 0 H SER A 63 42.215 20.906 14.703 1.00 20.00 H new ATOM 0 HA SER A 63 43.234 20.830 12.012 1.00 20.00 H new ATOM 0 HB2 SER A 63 42.973 23.094 14.047 1.00 20.00 H new ATOM 0 HB3 SER A 63 43.315 23.294 12.340 1.00 20.00 H new ATOM 0 HG SER A 63 41.070 23.554 12.822 1.00 20.00 H new ATOM 878 N CYS A 64 45.311 21.154 14.553 1.00 20.00 N ATOM 879 CA CYS A 64 46.707 20.965 14.945 1.00 20.00 C ATOM 880 C CYS A 64 47.260 19.625 14.430 1.00 20.00 C ATOM 881 O CYS A 64 48.432 19.561 14.062 1.00 20.00 O ATOM 882 CB CYS A 64 46.840 21.053 16.476 1.00 20.00 C ATOM 883 SG CYS A 64 46.879 22.729 17.166 1.00 20.00 S ATOM 0 H CYS A 64 44.674 21.195 15.349 1.00 20.00 H new ATOM 0 HA CYS A 64 47.298 21.760 14.490 1.00 20.00 H new ATOM 0 HB2 CYS A 64 46.007 20.514 16.926 1.00 20.00 H new ATOM 0 HB3 CYS A 64 47.752 20.536 16.773 1.00 20.00 H new ATOM 888 N GLY A 65 46.419 18.581 14.367 1.00 20.00 N ATOM 889 CA GLY A 65 46.754 17.245 13.886 1.00 20.00 C ATOM 890 C GLY A 65 47.338 16.348 14.983 1.00 20.00 C ATOM 891 O GLY A 65 47.654 16.813 16.079 1.00 20.00 O ATOM 0 H GLY A 65 45.446 18.655 14.664 1.00 20.00 H new ATOM 0 HA2 GLY A 65 45.859 16.776 13.478 1.00 20.00 H new ATOM 0 HA3 GLY A 65 47.472 17.327 13.070 1.00 20.00 H new ATOM 895 N LYS A 66 47.494 15.053 14.672 1.00 20.00 N ATOM 896 CA LYS A 66 48.029 14.037 15.581 1.00 20.00 C ATOM 897 C LYS A 66 49.470 14.357 16.002 1.00 20.00 C ATOM 898 O LYS A 66 50.340 14.585 15.161 1.00 20.00 O ATOM 899 CB LYS A 66 47.889 12.625 14.976 1.00 20.00 C ATOM 900 CG LYS A 66 48.610 12.407 13.630 1.00 20.00 C ATOM 901 CD LYS A 66 48.382 11.016 13.018 1.00 20.00 C ATOM 902 CE LYS A 66 49.365 9.943 13.506 1.00 20.00 C ATOM 903 NZ LYS A 66 49.110 9.507 14.889 1.00 20.00 N ATOM 0 H LYS A 66 47.244 14.677 13.757 1.00 20.00 H new ATOM 0 HA LYS A 66 47.433 14.053 16.493 1.00 20.00 H new ATOM 0 HB2 LYS A 66 48.271 11.901 15.695 1.00 20.00 H new ATOM 0 HB3 LYS A 66 46.829 12.410 14.840 1.00 20.00 H new ATOM 0 HG2 LYS A 66 48.273 13.164 12.922 1.00 20.00 H new ATOM 0 HG3 LYS A 66 49.680 12.559 13.774 1.00 20.00 H new ATOM 0 HD2 LYS A 66 47.366 10.693 13.247 1.00 20.00 H new ATOM 0 HD3 LYS A 66 48.455 11.093 11.933 1.00 20.00 H new ATOM 0 HE2 LYS A 66 49.308 9.079 12.844 1.00 20.00 H new ATOM 0 HE3 LYS A 66 50.381 10.332 13.436 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 49.497 8.552 15.029 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 49.568 10.166 15.551 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 48.085 9.495 15.066 1.00 20.00 H new ATOM 917 N GLY A 67 49.696 14.392 17.321 1.00 20.00 N ATOM 918 CA GLY A 67 50.971 14.710 17.959 1.00 20.00 C ATOM 919 C GLY A 67 50.937 16.014 18.766 1.00 20.00 C ATOM 920 O GLY A 67 51.778 16.190 19.648 1.00 20.00 O ATOM 0 H GLY A 67 48.961 14.190 17.999 1.00 20.00 H new ATOM 0 HA2 GLY A 67 51.254 13.890 18.619 1.00 20.00 H new ATOM 0 HA3 GLY A 67 51.744 14.784 17.194 1.00 20.00 H new ATOM 924 N GLN A 68 49.965 16.903 18.500 1.00 20.00 N ATOM 925 CA GLN A 68 49.744 18.164 19.186 1.00 20.00 C ATOM 926 C GLN A 68 48.252 18.424 19.445 1.00 20.00 C ATOM 927 O GLN A 68 47.389 17.624 19.085 1.00 20.00 O ATOM 928 CB GLN A 68 50.423 19.286 18.383 1.00 20.00 C ATOM 929 CG GLN A 68 50.044 19.344 16.900 1.00 20.00 C ATOM 930 CD GLN A 68 51.029 18.592 16.002 1.00 20.00 C ATOM 931 OE1 GLN A 68 52.209 18.925 15.946 1.00 20.00 O ATOM 932 NE2 GLN A 68 50.556 17.576 15.289 1.00 20.00 N ATOM 0 H GLN A 68 49.282 16.742 17.759 1.00 20.00 H new ATOM 0 HA GLN A 68 50.197 18.127 20.177 1.00 20.00 H new ATOM 0 HB2 GLN A 68 50.175 20.242 18.843 1.00 20.00 H new ATOM 0 HB3 GLN A 68 51.503 19.165 18.462 1.00 20.00 H new ATOM 0 HG2 GLN A 68 49.047 18.923 16.769 1.00 20.00 H new ATOM 0 HG3 GLN A 68 49.995 20.386 16.584 1.00 20.00 H new ATOM 0 HE21 GLN A 68 49.571 17.321 15.355 1.00 20.00 H new ATOM 0 HE22 GLN A 68 51.178 17.050 14.675 1.00 20.00 H new ATOM 941 N LYS A 69 47.973 19.542 20.124 1.00 20.00 N ATOM 942 CA LYS A 69 46.658 19.987 20.574 1.00 20.00 C ATOM 943 C LYS A 69 46.582 21.517 20.662 1.00 20.00 C ATOM 944 O LYS A 69 47.602 22.196 20.553 1.00 20.00 O ATOM 945 CB LYS A 69 46.337 19.361 21.951 1.00 20.00 C ATOM 946 CG LYS A 69 47.376 19.707 23.045 1.00 20.00 C ATOM 947 CD LYS A 69 46.800 19.700 24.468 1.00 20.00 C ATOM 948 CE LYS A 69 46.500 18.302 25.017 1.00 20.00 C ATOM 949 NZ LYS A 69 47.721 17.638 25.510 1.00 20.00 N ATOM 0 H LYS A 69 48.708 20.198 20.388 1.00 20.00 H new ATOM 0 HA LYS A 69 45.921 19.658 19.842 1.00 20.00 H new ATOM 0 HB2 LYS A 69 45.353 19.701 22.275 1.00 20.00 H new ATOM 0 HB3 LYS A 69 46.281 18.278 21.844 1.00 20.00 H new ATOM 0 HG2 LYS A 69 48.198 18.993 22.992 1.00 20.00 H new ATOM 0 HG3 LYS A 69 47.795 20.691 22.837 1.00 20.00 H new ATOM 0 HD2 LYS A 69 47.504 20.197 25.135 1.00 20.00 H new ATOM 0 HD3 LYS A 69 45.882 20.287 24.479 1.00 20.00 H new ATOM 0 HE2 LYS A 69 45.774 18.377 25.826 1.00 20.00 H new ATOM 0 HE3 LYS A 69 46.045 17.694 24.235 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 47.759 16.665 25.144 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 48.557 18.163 25.184 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 47.709 17.617 26.550 1.00 20.00 H new ATOM 963 N CYS A 70 45.379 22.049 20.933 1.00 20.00 N ATOM 964 CA CYS A 70 45.200 23.428 21.385 1.00 20.00 C ATOM 965 C CYS A 70 45.216 23.478 22.919 1.00 20.00 C ATOM 966 O CYS A 70 44.744 22.549 23.576 1.00 20.00 O ATOM 967 CB CYS A 70 43.901 24.013 20.812 1.00 20.00 C ATOM 968 SG CYS A 70 43.914 25.821 20.567 1.00 20.00 S ATOM 0 H CYS A 70 44.506 21.530 20.843 1.00 20.00 H new ATOM 0 HA CYS A 70 46.024 24.040 21.018 1.00 20.00 H new ATOM 0 HB2 CYS A 70 43.695 23.533 19.855 1.00 20.00 H new ATOM 0 HB3 CYS A 70 43.079 23.758 21.481 1.00 20.00 H new ATOM 973 N CYS A 71 45.730 24.579 23.482 1.00 20.00 N ATOM 974 CA CYS A 71 45.696 24.877 24.913 1.00 20.00 C ATOM 975 C CYS A 71 45.506 26.383 25.129 1.00 20.00 C ATOM 976 O CYS A 71 45.781 27.187 24.237 1.00 20.00 O ATOM 977 CB CYS A 71 46.990 24.380 25.576 1.00 20.00 C ATOM 978 SG CYS A 71 47.075 24.489 27.386 1.00 20.00 S ATOM 0 H CYS A 71 46.193 25.305 22.936 1.00 20.00 H new ATOM 0 HA CYS A 71 44.854 24.361 25.374 1.00 20.00 H new ATOM 0 HB2 CYS A 71 47.140 23.339 25.291 1.00 20.00 H new ATOM 0 HB3 CYS A 71 47.824 24.947 25.162 1.00 20.00 H new ATOM 983 N VAL A 72 45.071 26.752 26.340 1.00 20.00 N ATOM 984 CA VAL A 72 44.801 28.119 26.782 1.00 20.00 C ATOM 985 C VAL A 72 45.586 28.392 28.075 1.00 20.00 C ATOM 986 O VAL A 72 45.930 27.462 28.806 1.00 20.00 O ATOM 987 CB VAL A 72 43.273 28.312 26.951 1.00 20.00 C ATOM 988 CG1 VAL A 72 42.903 29.757 27.317 1.00 20.00 C ATOM 989 CG2 VAL A 72 42.509 27.961 25.664 1.00 20.00 C ATOM 0 H VAL A 72 44.890 26.067 27.074 1.00 20.00 H new ATOM 0 HA VAL A 72 45.134 28.844 26.040 1.00 20.00 H new ATOM 0 HB VAL A 72 42.989 27.640 27.761 1.00 20.00 H new ATOM 0 HG11 VAL A 72 41.821 29.840 27.424 1.00 20.00 H new ATOM 0 HG12 VAL A 72 43.383 30.028 28.258 1.00 20.00 H new ATOM 0 HG13 VAL A 72 43.242 30.430 26.530 1.00 20.00 H new ATOM 0 HG21 VAL A 72 41.441 28.109 25.823 1.00 20.00 H new ATOM 0 HG22 VAL A 72 42.848 28.605 24.853 1.00 20.00 H new ATOM 0 HG23 VAL A 72 42.696 26.919 25.403 1.00 20.00 H new ATOM 999 N TRP A 73 45.860 29.675 28.346 1.00 20.00 N ATOM 1000 CA TRP A 73 46.586 30.162 29.515 1.00 20.00 C ATOM 1001 C TRP A 73 45.813 31.265 30.256 1.00 20.00 C ATOM 1002 O TRP A 73 44.678 31.596 29.901 1.00 20.00 O ATOM 1003 CB TRP A 73 48.013 30.551 29.096 1.00 20.00 C ATOM 1004 CG TRP A 73 48.132 31.538 27.981 1.00 20.00 C ATOM 1005 CD1 TRP A 73 47.297 32.573 27.764 1.00 20.00 C ATOM 1006 CD2 TRP A 73 49.113 31.590 26.905 1.00 20.00 C ATOM 1007 NE1 TRP A 73 47.689 33.270 26.641 1.00 20.00 N ATOM 1008 CE2 TRP A 73 48.807 32.702 26.066 1.00 20.00 C ATOM 1009 CE3 TRP A 73 50.218 30.796 26.546 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 49.570 33.015 24.932 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 50.995 31.101 25.408 1.00 20.00 C ATOM 1012 CH2 TRP A 73 50.672 32.208 24.603 1.00 20.00 C ATOM 0 H TRP A 73 45.567 30.430 27.727 1.00 20.00 H new ATOM 0 HA TRP A 73 46.676 29.366 30.254 1.00 20.00 H new ATOM 0 HB2 TRP A 73 48.526 30.957 29.968 1.00 20.00 H new ATOM 0 HB3 TRP A 73 48.544 29.644 28.807 1.00 20.00 H new ATOM 0 HD1 TRP A 73 46.445 32.820 28.380 1.00 20.00 H new ATOM 0 HE1 TRP A 73 47.214 34.098 26.282 1.00 20.00 H new ATOM 0 HE3 TRP A 73 50.476 29.939 27.151 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 49.314 33.866 24.319 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 51.842 30.481 25.154 1.00 20.00 H new ATOM 0 HH2 TRP A 73 51.270 32.437 23.733 1.00 20.00 H new ATOM 1023 N LEU A 74 46.448 31.822 31.295 1.00 20.00 N ATOM 1024 CA LEU A 74 45.924 32.898 32.131 1.00 20.00 C ATOM 1025 C LEU A 74 47.005 33.975 32.317 1.00 20.00 C ATOM 1026 O LEU A 74 48.171 33.764 31.974 1.00 20.00 O ATOM 1027 CB LEU A 74 45.463 32.292 33.474 1.00 20.00 C ATOM 1028 CG LEU A 74 44.326 33.046 34.190 1.00 20.00 C ATOM 1029 CD1 LEU A 74 42.982 32.900 33.460 1.00 20.00 C ATOM 1030 CD2 LEU A 74 44.170 32.501 35.616 1.00 20.00 C ATOM 0 H LEU A 74 47.378 31.520 31.584 1.00 20.00 H new ATOM 0 HA LEU A 74 45.066 33.380 31.661 1.00 20.00 H new ATOM 0 HB2 LEU A 74 45.139 31.266 33.297 1.00 20.00 H new ATOM 0 HB3 LEU A 74 46.321 32.244 34.144 1.00 20.00 H new ATOM 0 HG LEU A 74 44.594 34.102 34.202 1.00 20.00 H new ATOM 0 HD11 LEU A 74 42.212 33.448 34.002 1.00 20.00 H new ATOM 0 HD12 LEU A 74 43.071 33.302 32.451 1.00 20.00 H new ATOM 0 HD13 LEU A 74 42.709 31.846 33.408 1.00 20.00 H new ATOM 0 HD21 LEU A 74 43.366 33.034 36.123 1.00 20.00 H new ATOM 0 HD22 LEU A 74 43.932 31.438 35.575 1.00 20.00 H new ATOM 0 HD23 LEU A 74 45.102 32.643 36.164 1.00 20.00 H new ATOM 1042 N HIS A 75 46.610 35.127 32.872 1.00 20.00 N ATOM 1043 CA HIS A 75 47.491 36.238 33.207 1.00 20.00 C ATOM 1044 C HIS A 75 48.528 35.818 34.255 1.00 20.00 C ATOM 1045 O HIS A 75 49.732 35.891 33.924 1.00 20.00 O ATOM 1046 CB HIS A 75 46.645 37.421 33.697 1.00 20.00 C ATOM 1047 CG HIS A 75 47.454 38.624 34.124 1.00 20.00 C ATOM 1048 ND1 HIS A 75 47.179 39.435 35.208 1.00 20.00 N ATOM 1049 CD2 HIS A 75 48.581 39.102 33.512 1.00 20.00 C ATOM 1050 CE1 HIS A 75 48.126 40.391 35.252 1.00 20.00 C ATOM 1051 NE2 HIS A 75 48.988 40.206 34.233 1.00 20.00 N ATOM 1052 OXT HIS A 75 48.111 35.454 35.377 1.00 20.00 O ATOM 0 H HIS A 75 45.634 35.312 33.106 1.00 20.00 H new ATOM 0 HA HIS A 75 48.043 36.544 32.318 1.00 20.00 H new ATOM 0 HB2 HIS A 75 45.962 37.720 32.901 1.00 20.00 H new ATOM 0 HB3 HIS A 75 46.032 37.092 34.536 1.00 20.00 H new ATOM 0 HD2 HIS A 75 49.060 38.694 32.634 1.00 20.00 H new ATOM 0 HE1 HIS A 75 48.185 41.180 35.987 1.00 20.00 H new ATOM 0 HE2 HIS A 75 49.803 40.784 34.029 1.00 20.00 H new TER 1061 HIS A 75