USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 270 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 115:sc= 0.0248 USER MOD Single : A 10 THR OG1 : rot -70:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.42) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.958 K(o=-0.96,f=-6.5!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0.606 (180deg=0.369) USER MOD Single : A 31 THR OG1 : rot 82:sc= 0.966 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N CYS A 2 -2.729 -8.501 -6.788 1.00 24.43 N ATOM 21 CA CYS A 2 -1.843 -7.697 -5.942 1.00 24.42 C ATOM 22 C CYS A 2 -2.506 -6.333 -5.698 1.00 32.15 C ATOM 23 O CYS A 2 -2.975 -5.698 -6.653 1.00 4.03 O ATOM 24 CB CYS A 2 -0.471 -7.530 -6.628 1.00 30.33 C ATOM 25 SG CYS A 2 0.367 -9.102 -6.995 1.00 42.15 S ATOM 0 HA CYS A 2 -1.680 -8.193 -4.985 1.00 24.42 H new ATOM 0 HB2 CYS A 2 -0.606 -6.976 -7.557 1.00 30.33 H new ATOM 0 HB3 CYS A 2 0.173 -6.927 -5.988 1.00 30.33 H new ATOM 30 N TYR A 3 -2.533 -5.890 -4.426 1.00 31.40 N ATOM 31 CA TYR A 3 -3.256 -4.678 -4.015 1.00 43.43 C ATOM 32 C TYR A 3 -2.627 -3.418 -4.637 1.00 10.23 C ATOM 33 O TYR A 3 -1.463 -3.097 -4.371 1.00 32.40 O ATOM 34 CB TYR A 3 -3.292 -4.556 -2.472 1.00 30.33 C ATOM 35 CG TYR A 3 -4.177 -3.412 -1.931 1.00 51.41 C ATOM 36 CD1 TYR A 3 -5.463 -3.180 -2.433 1.00 25.22 C ATOM 37 CD2 TYR A 3 -3.717 -2.562 -0.926 1.00 32.01 C ATOM 38 CE1 TYR A 3 -6.245 -2.146 -1.950 1.00 74.45 C ATOM 39 CE2 TYR A 3 -4.494 -1.531 -0.446 1.00 1.24 C ATOM 40 CZ TYR A 3 -5.753 -1.323 -0.962 1.00 10.51 C ATOM 41 OH TYR A 3 -6.525 -0.286 -0.485 1.00 74.13 O ATOM 0 H TYR A 3 -2.055 -6.363 -3.659 1.00 31.40 H new ATOM 0 HA TYR A 3 -4.279 -4.763 -4.380 1.00 43.43 H new ATOM 0 HB2 TYR A 3 -3.647 -5.499 -2.056 1.00 30.33 H new ATOM 0 HB3 TYR A 3 -2.274 -4.411 -2.110 1.00 30.33 H new ATOM 0 HD1 TYR A 3 -5.852 -3.820 -3.211 1.00 25.22 H new ATOM 0 HD2 TYR A 3 -2.730 -2.715 -0.515 1.00 32.01 H new ATOM 0 HE1 TYR A 3 -7.237 -1.985 -2.346 1.00 74.45 H new ATOM 0 HE2 TYR A 3 -4.116 -0.887 0.334 1.00 1.24 H new ATOM 0 HH TYR A 3 -6.031 0.197 0.210 1.00 74.13 H new ATOM 51 N THR A 4 -3.411 -2.734 -5.485 1.00 72.15 N ATOM 52 CA THR A 4 -3.012 -1.479 -6.129 1.00 44.44 C ATOM 53 C THR A 4 -3.620 -0.280 -5.366 1.00 31.21 C ATOM 54 O THR A 4 -4.835 -0.236 -5.123 1.00 42.44 O ATOM 55 CB THR A 4 -3.445 -1.470 -7.629 1.00 20.32 C ATOM 56 OG1 THR A 4 -2.921 -2.651 -8.273 1.00 43.30 O ATOM 57 CG2 THR A 4 -2.939 -0.212 -8.374 1.00 43.50 C ATOM 0 H THR A 4 -4.348 -3.042 -5.743 1.00 72.15 H new ATOM 0 HA THR A 4 -1.926 -1.393 -6.097 1.00 44.44 H new ATOM 0 HB THR A 4 -4.534 -1.458 -7.666 1.00 20.32 H new ATOM 0 HG1 THR A 4 -3.189 -2.656 -9.216 1.00 43.30 H new ATOM 0 HG21 THR A 4 -3.264 -0.249 -9.414 1.00 43.50 H new ATOM 0 HG22 THR A 4 -3.346 0.681 -7.899 1.00 43.50 H new ATOM 0 HG23 THR A 4 -1.850 -0.180 -8.335 1.00 43.50 H new ATOM 65 N PHE A 5 -2.752 0.670 -4.972 1.00 61.20 N ATOM 66 CA PHE A 5 -3.128 1.883 -4.218 1.00 13.22 C ATOM 67 C PHE A 5 -2.199 3.027 -4.634 1.00 52.11 C ATOM 68 O PHE A 5 -1.006 2.813 -4.835 1.00 72.23 O ATOM 69 CB PHE A 5 -3.063 1.625 -2.679 1.00 43.02 C ATOM 70 CG PHE A 5 -1.776 0.958 -2.176 1.00 24.11 C ATOM 71 CD1 PHE A 5 -1.589 -0.408 -2.341 1.00 31.35 C ATOM 72 CD2 PHE A 5 -0.776 1.677 -1.522 1.00 13.32 C ATOM 73 CE1 PHE A 5 -0.463 -1.041 -1.882 1.00 32.55 C ATOM 74 CE2 PHE A 5 0.359 1.043 -1.051 1.00 43.34 C ATOM 75 CZ PHE A 5 0.514 -0.321 -1.232 1.00 33.04 C ATOM 0 H PHE A 5 -1.753 0.617 -5.171 1.00 61.20 H new ATOM 0 HA PHE A 5 -4.158 2.156 -4.450 1.00 13.22 H new ATOM 0 HB2 PHE A 5 -3.184 2.577 -2.163 1.00 43.02 H new ATOM 0 HB3 PHE A 5 -3.910 1.000 -2.397 1.00 43.02 H new ATOM 0 HD1 PHE A 5 -2.350 -0.986 -2.844 1.00 31.35 H new ATOM 0 HD2 PHE A 5 -0.889 2.742 -1.382 1.00 13.32 H new ATOM 0 HE1 PHE A 5 -0.342 -2.104 -2.030 1.00 32.55 H new ATOM 0 HE2 PHE A 5 1.124 1.611 -0.542 1.00 43.34 H new ATOM 0 HZ PHE A 5 1.399 -0.819 -0.864 1.00 33.04 H new ATOM 85 N ARG A 6 -2.755 4.233 -4.779 1.00 65.12 N ATOM 86 CA ARG A 6 -2.022 5.410 -5.259 1.00 3.44 C ATOM 87 C ARG A 6 -2.102 6.542 -4.227 1.00 62.35 C ATOM 88 O ARG A 6 -3.202 6.944 -3.834 1.00 70.42 O ATOM 89 CB ARG A 6 -2.612 5.864 -6.625 1.00 54.23 C ATOM 90 CG ARG A 6 -1.882 7.058 -7.298 1.00 52.04 C ATOM 91 CD ARG A 6 -2.495 7.445 -8.657 1.00 14.23 C ATOM 92 NE ARG A 6 -1.670 8.416 -9.400 1.00 4.40 N ATOM 93 CZ ARG A 6 -2.091 9.147 -10.444 1.00 20.11 C ATOM 94 NH1 ARG A 6 -3.346 9.045 -10.899 1.00 71.31 N ATOM 95 NH2 ARG A 6 -1.237 9.945 -11.065 1.00 51.25 N ATOM 0 H ARG A 6 -3.734 4.422 -4.565 1.00 65.12 H new ATOM 0 HA ARG A 6 -0.972 5.153 -5.396 1.00 3.44 H new ATOM 0 HB2 ARG A 6 -2.595 5.016 -7.310 1.00 54.23 H new ATOM 0 HB3 ARG A 6 -3.658 6.134 -6.479 1.00 54.23 H new ATOM 0 HG2 ARG A 6 -1.915 7.920 -6.632 1.00 52.04 H new ATOM 0 HG3 ARG A 6 -0.832 6.803 -7.438 1.00 52.04 H new ATOM 0 HD2 ARG A 6 -2.624 6.547 -9.261 1.00 14.23 H new ATOM 0 HD3 ARG A 6 -3.487 7.866 -8.496 1.00 14.23 H new ATOM 0 HE ARG A 6 -0.704 8.542 -9.097 1.00 4.40 H new ATOM 0 HH11 ARG A 6 -4.000 8.404 -10.451 1.00 71.31 H new ATOM 0 HH12 ARG A 6 -3.648 9.609 -11.694 1.00 71.31 H new ATOM 0 HH21 ARG A 6 -0.269 10.000 -10.749 1.00 51.25 H new ATOM 0 HH22 ARG A 6 -1.547 10.505 -11.859 1.00 51.25 H new ATOM 109 N SER A 7 -0.938 7.024 -3.778 1.00 44.31 N ATOM 110 CA SER A 7 -0.849 8.212 -2.920 1.00 61.53 C ATOM 111 C SER A 7 -0.856 9.456 -3.812 1.00 44.21 C ATOM 112 O SER A 7 0.073 9.660 -4.599 1.00 44.10 O ATOM 113 CB SER A 7 0.418 8.165 -2.035 1.00 65.42 C ATOM 114 OG SER A 7 0.493 9.291 -1.166 1.00 0.54 O ATOM 0 H SER A 7 -0.035 6.604 -3.997 1.00 44.31 H new ATOM 0 HA SER A 7 -1.705 8.243 -2.245 1.00 61.53 H new ATOM 0 HB2 SER A 7 0.416 7.249 -1.445 1.00 65.42 H new ATOM 0 HB3 SER A 7 1.304 8.134 -2.669 1.00 65.42 H new ATOM 0 HG SER A 7 0.421 8.992 -0.236 1.00 0.54 H new ATOM 120 N GLU A 8 -1.933 10.256 -3.706 1.00 43.15 N ATOM 121 CA GLU A 8 -2.132 11.476 -4.507 1.00 71.21 C ATOM 122 C GLU A 8 -1.097 12.564 -4.141 1.00 60.12 C ATOM 123 O GLU A 8 -0.717 13.376 -4.993 1.00 50.11 O ATOM 124 CB GLU A 8 -3.574 12.007 -4.307 1.00 2.11 C ATOM 125 CG GLU A 8 -3.955 13.193 -5.219 1.00 3.43 C ATOM 126 CD GLU A 8 -5.285 13.852 -4.829 1.00 64.22 C ATOM 127 OE1 GLU A 8 -5.273 14.773 -3.982 1.00 0.03 O ATOM 128 OE2 GLU A 8 -6.347 13.453 -5.355 1.00 20.43 O ATOM 0 H GLU A 8 -2.696 10.071 -3.055 1.00 43.15 H new ATOM 0 HA GLU A 8 -1.987 11.224 -5.557 1.00 71.21 H new ATOM 0 HB2 GLU A 8 -4.275 11.191 -4.483 1.00 2.11 H new ATOM 0 HB3 GLU A 8 -3.694 12.312 -3.267 1.00 2.11 H new ATOM 0 HG2 GLU A 8 -3.162 13.940 -5.183 1.00 3.43 H new ATOM 0 HG3 GLU A 8 -4.018 12.845 -6.250 1.00 3.43 H new ATOM 135 N CYS A 9 -0.616 12.532 -2.880 1.00 63.32 N ATOM 136 CA CYS A 9 0.376 13.492 -2.357 1.00 52.33 C ATOM 137 C CYS A 9 1.726 13.401 -3.109 1.00 12.14 C ATOM 138 O CYS A 9 2.490 14.365 -3.142 1.00 61.32 O ATOM 139 CB CYS A 9 0.585 13.258 -0.846 1.00 72.15 C ATOM 140 SG CYS A 9 -0.916 13.503 0.167 1.00 12.22 S ATOM 0 H CYS A 9 -0.907 11.836 -2.194 1.00 63.32 H new ATOM 0 HA CYS A 9 -0.015 14.496 -2.519 1.00 52.33 H new ATOM 0 HB2 CYS A 9 0.950 12.242 -0.695 1.00 72.15 H new ATOM 0 HB3 CYS A 9 1.364 13.933 -0.490 1.00 72.15 H new ATOM 145 N THR A 10 1.999 12.229 -3.704 1.00 2.41 N ATOM 146 CA THR A 10 3.194 11.979 -4.526 1.00 55.01 C ATOM 147 C THR A 10 2.781 11.612 -5.958 1.00 53.14 C ATOM 148 O THR A 10 3.646 11.436 -6.829 1.00 43.52 O ATOM 149 CB THR A 10 4.063 10.834 -3.910 1.00 21.13 C ATOM 150 OG1 THR A 10 3.243 9.672 -3.670 1.00 53.44 O ATOM 151 CG2 THR A 10 4.740 11.273 -2.600 1.00 12.44 C ATOM 0 H THR A 10 1.387 11.417 -3.627 1.00 2.41 H new ATOM 0 HA THR A 10 3.791 12.890 -4.548 1.00 55.01 H new ATOM 0 HB THR A 10 4.848 10.591 -4.626 1.00 21.13 H new ATOM 0 HG1 THR A 10 2.626 9.854 -2.931 1.00 53.44 H new ATOM 0 HG21 THR A 10 5.334 10.450 -2.204 1.00 12.44 H new ATOM 0 HG22 THR A 10 5.388 12.128 -2.794 1.00 12.44 H new ATOM 0 HG23 THR A 10 3.978 11.553 -1.873 1.00 12.44 H new ATOM 159 N ASN A 11 1.441 11.475 -6.175 1.00 14.44 N ATOM 160 CA ASN A 11 0.839 11.176 -7.495 1.00 65.31 C ATOM 161 C ASN A 11 1.325 9.789 -8.014 1.00 41.22 C ATOM 162 O ASN A 11 1.193 9.448 -9.194 1.00 42.41 O ATOM 163 CB ASN A 11 1.158 12.375 -8.443 1.00 23.32 C ATOM 164 CG ASN A 11 0.616 12.280 -9.870 1.00 65.14 C ATOM 165 OD1 ASN A 11 1.303 11.834 -10.788 1.00 42.12 O ATOM 166 ND2 ASN A 11 -0.624 12.693 -10.067 1.00 20.12 N ATOM 0 H ASN A 11 0.750 11.571 -5.431 1.00 14.44 H new ATOM 0 HA ASN A 11 -0.245 11.082 -7.437 1.00 65.31 H new ATOM 0 HB2 ASN A 11 0.764 13.284 -7.988 1.00 23.32 H new ATOM 0 HB3 ASN A 11 2.241 12.489 -8.496 1.00 23.32 H new ATOM 0 HD21 ASN A 11 -1.035 12.647 -10.999 1.00 20.12 H new ATOM 0 HD22 ASN A 11 -1.170 13.058 -9.287 1.00 20.12 H new ATOM 173 N LYS A 12 1.807 8.960 -7.070 1.00 24.14 N ATOM 174 CA LYS A 12 2.549 7.723 -7.367 1.00 40.24 C ATOM 175 C LYS A 12 1.701 6.493 -7.035 1.00 1.42 C ATOM 176 O LYS A 12 1.171 6.378 -5.924 1.00 3.31 O ATOM 177 CB LYS A 12 3.871 7.705 -6.550 1.00 30.13 C ATOM 178 CG LYS A 12 4.839 6.502 -6.816 1.00 4.10 C ATOM 179 CD LYS A 12 5.824 6.694 -8.002 1.00 53.12 C ATOM 180 CE LYS A 12 5.163 6.753 -9.390 1.00 40.23 C ATOM 181 NZ LYS A 12 6.174 6.873 -10.479 1.00 21.24 N ATOM 0 H LYS A 12 1.691 9.132 -6.071 1.00 24.14 H new ATOM 0 HA LYS A 12 2.783 7.695 -8.431 1.00 40.24 H new ATOM 0 HB2 LYS A 12 4.411 8.629 -6.754 1.00 30.13 H new ATOM 0 HB3 LYS A 12 3.617 7.711 -5.490 1.00 30.13 H new ATOM 0 HG2 LYS A 12 5.417 6.315 -5.911 1.00 4.10 H new ATOM 0 HG3 LYS A 12 4.241 5.610 -7.002 1.00 4.10 H new ATOM 0 HD2 LYS A 12 6.385 7.615 -7.844 1.00 53.12 H new ATOM 0 HD3 LYS A 12 6.544 5.876 -7.993 1.00 53.12 H new ATOM 0 HE2 LYS A 12 4.565 5.855 -9.546 1.00 40.23 H new ATOM 0 HE3 LYS A 12 4.481 7.602 -9.432 1.00 40.23 H new ATOM 0 HZ1 LYS A 12 5.691 6.910 -11.399 1.00 21.24 H new ATOM 0 HZ2 LYS A 12 6.728 7.743 -10.344 1.00 21.24 H new ATOM 0 HZ3 LYS A 12 6.810 6.050 -10.455 1.00 21.24 H new ATOM 195 N GLU A 13 1.553 5.599 -8.023 1.00 40.44 N ATOM 196 CA GLU A 13 0.857 4.311 -7.854 1.00 12.35 C ATOM 197 C GLU A 13 1.782 3.266 -7.195 1.00 32.11 C ATOM 198 O GLU A 13 3.011 3.335 -7.321 1.00 53.10 O ATOM 199 CB GLU A 13 0.344 3.791 -9.223 1.00 41.20 C ATOM 200 CG GLU A 13 1.447 3.618 -10.294 1.00 24.12 C ATOM 201 CD GLU A 13 0.920 3.062 -11.624 1.00 44.05 C ATOM 202 OE1 GLU A 13 0.840 1.826 -11.771 1.00 21.33 O ATOM 203 OE2 GLU A 13 0.566 3.860 -12.522 1.00 41.23 O ATOM 0 H GLU A 13 1.913 5.747 -8.966 1.00 40.44 H new ATOM 0 HA GLU A 13 0.002 4.470 -7.197 1.00 12.35 H new ATOM 0 HB2 GLU A 13 -0.152 2.832 -9.071 1.00 41.20 H new ATOM 0 HB3 GLU A 13 -0.408 4.483 -9.602 1.00 41.20 H new ATOM 0 HG2 GLU A 13 1.923 4.582 -10.474 1.00 24.12 H new ATOM 0 HG3 GLU A 13 2.217 2.950 -9.908 1.00 24.12 H new ATOM 210 N PHE A 14 1.167 2.307 -6.482 1.00 22.53 N ATOM 211 CA PHE A 14 1.873 1.203 -5.794 1.00 13.00 C ATOM 212 C PHE A 14 1.115 -0.098 -6.017 1.00 1.55 C ATOM 213 O PHE A 14 -0.102 -0.092 -6.223 1.00 32.31 O ATOM 214 CB PHE A 14 1.999 1.460 -4.264 1.00 34.20 C ATOM 215 CG PHE A 14 2.556 2.829 -3.921 1.00 40.01 C ATOM 216 CD1 PHE A 14 3.913 3.103 -4.082 1.00 32.53 C ATOM 217 CD2 PHE A 14 1.718 3.854 -3.482 1.00 63.14 C ATOM 218 CE1 PHE A 14 4.409 4.355 -3.813 1.00 20.32 C ATOM 219 CE2 PHE A 14 2.216 5.103 -3.220 1.00 14.24 C ATOM 220 CZ PHE A 14 3.561 5.351 -3.385 1.00 14.40 C ATOM 0 H PHE A 14 0.154 2.273 -6.364 1.00 22.53 H new ATOM 0 HA PHE A 14 2.878 1.140 -6.212 1.00 13.00 H new ATOM 0 HB2 PHE A 14 1.017 1.351 -3.804 1.00 34.20 H new ATOM 0 HB3 PHE A 14 2.642 0.696 -3.828 1.00 34.20 H new ATOM 0 HD1 PHE A 14 4.580 2.324 -4.421 1.00 32.53 H new ATOM 0 HD2 PHE A 14 0.664 3.661 -3.347 1.00 63.14 H new ATOM 0 HE1 PHE A 14 5.463 4.558 -3.937 1.00 20.32 H new ATOM 0 HE2 PHE A 14 1.557 5.890 -2.885 1.00 14.24 H new ATOM 0 HZ PHE A 14 3.953 6.335 -3.177 1.00 14.40 H new ATOM 230 N THR A 15 1.851 -1.207 -5.998 1.00 33.14 N ATOM 231 CA THR A 15 1.306 -2.557 -6.139 1.00 70.21 C ATOM 232 C THR A 15 2.052 -3.459 -5.144 1.00 53.52 C ATOM 233 O THR A 15 3.289 -3.423 -5.110 1.00 31.34 O ATOM 234 CB THR A 15 1.501 -3.071 -7.615 1.00 53.24 C ATOM 235 OG1 THR A 15 1.069 -2.067 -8.554 1.00 13.31 O ATOM 236 CG2 THR A 15 0.732 -4.368 -7.890 1.00 22.50 C ATOM 0 H THR A 15 2.864 -1.193 -5.882 1.00 33.14 H new ATOM 0 HA THR A 15 0.237 -2.567 -5.929 1.00 70.21 H new ATOM 0 HB THR A 15 2.565 -3.274 -7.737 1.00 53.24 H new ATOM 0 HG1 THR A 15 1.196 -2.397 -9.468 1.00 13.31 H new ATOM 0 HG21 THR A 15 0.900 -4.679 -8.921 1.00 22.50 H new ATOM 0 HG22 THR A 15 1.081 -5.148 -7.214 1.00 22.50 H new ATOM 0 HG23 THR A 15 -0.333 -4.200 -7.731 1.00 22.50 H new ATOM 244 N VAL A 16 1.330 -4.255 -4.327 1.00 64.24 N ATOM 245 CA VAL A 16 1.970 -5.136 -3.327 1.00 63.45 C ATOM 246 C VAL A 16 1.397 -6.571 -3.422 1.00 12.14 C ATOM 247 O VAL A 16 0.187 -6.801 -3.278 1.00 3.13 O ATOM 248 CB VAL A 16 1.863 -4.533 -1.868 1.00 73.43 C ATOM 249 CG1 VAL A 16 0.410 -4.450 -1.348 1.00 74.12 C ATOM 250 CG2 VAL A 16 2.768 -5.291 -0.874 1.00 44.54 C ATOM 0 H VAL A 16 0.311 -4.306 -4.340 1.00 64.24 H new ATOM 0 HA VAL A 16 3.035 -5.197 -3.552 1.00 63.45 H new ATOM 0 HB VAL A 16 2.222 -3.506 -1.941 1.00 73.43 H new ATOM 0 HG11 VAL A 16 0.407 -4.028 -0.343 1.00 74.12 H new ATOM 0 HG12 VAL A 16 -0.178 -3.814 -2.010 1.00 74.12 H new ATOM 0 HG13 VAL A 16 -0.025 -5.449 -1.323 1.00 74.12 H new ATOM 0 HG21 VAL A 16 2.669 -4.850 0.118 1.00 44.54 H new ATOM 0 HG22 VAL A 16 2.470 -6.339 -0.836 1.00 44.54 H new ATOM 0 HG23 VAL A 16 3.806 -5.221 -1.200 1.00 44.54 H new ATOM 260 N CYS A 17 2.285 -7.524 -3.730 1.00 61.12 N ATOM 261 CA CYS A 17 1.941 -8.940 -3.910 1.00 21.53 C ATOM 262 C CYS A 17 2.268 -9.734 -2.637 1.00 74.30 C ATOM 263 O CYS A 17 3.365 -10.285 -2.496 1.00 34.04 O ATOM 264 CB CYS A 17 2.699 -9.514 -5.126 1.00 23.05 C ATOM 265 SG CYS A 17 2.325 -8.685 -6.699 1.00 22.21 S ATOM 0 H CYS A 17 3.278 -7.330 -3.863 1.00 61.12 H new ATOM 0 HA CYS A 17 0.871 -9.026 -4.097 1.00 21.53 H new ATOM 0 HB2 CYS A 17 3.770 -9.444 -4.938 1.00 23.05 H new ATOM 0 HB3 CYS A 17 2.460 -10.573 -5.221 1.00 23.05 H new ATOM 270 N ARG A 18 1.326 -9.719 -1.678 1.00 4.14 N ATOM 271 CA ARG A 18 1.400 -10.523 -0.436 1.00 34.54 C ATOM 272 C ARG A 18 0.163 -11.450 -0.393 1.00 75.14 C ATOM 273 O ARG A 18 -0.944 -10.986 -0.702 1.00 33.23 O ATOM 274 CB ARG A 18 1.517 -9.608 0.805 1.00 20.22 C ATOM 275 CG ARG A 18 2.718 -8.654 0.692 1.00 22.03 C ATOM 276 CD ARG A 18 3.015 -7.850 1.948 1.00 1.14 C ATOM 277 NE ARG A 18 3.681 -8.644 2.998 1.00 71.11 N ATOM 278 CZ ARG A 18 4.782 -8.275 3.694 1.00 64.14 C ATOM 279 NH1 ARG A 18 5.398 -7.112 3.457 1.00 75.20 N ATOM 280 NH2 ARG A 18 5.261 -9.078 4.629 1.00 61.41 N ATOM 0 H ARG A 18 0.484 -9.146 -1.739 1.00 4.14 H new ATOM 0 HA ARG A 18 2.297 -11.143 -0.427 1.00 34.54 H new ATOM 0 HB2 ARG A 18 0.601 -9.029 0.919 1.00 20.22 H new ATOM 0 HB3 ARG A 18 1.620 -10.220 1.701 1.00 20.22 H new ATOM 0 HG2 ARG A 18 3.603 -9.235 0.432 1.00 22.03 H new ATOM 0 HG3 ARG A 18 2.538 -7.962 -0.131 1.00 22.03 H new ATOM 0 HD2 ARG A 18 3.646 -7.000 1.688 1.00 1.14 H new ATOM 0 HD3 ARG A 18 2.083 -7.446 2.343 1.00 1.14 H new ATOM 0 HE ARG A 18 3.275 -9.553 3.220 1.00 71.11 H new ATOM 0 HH11 ARG A 18 5.040 -6.482 2.739 1.00 75.20 H new ATOM 0 HH12 ARG A 18 6.226 -6.855 3.994 1.00 75.20 H new ATOM 0 HH21 ARG A 18 4.801 -9.968 4.821 1.00 61.41 H new ATOM 0 HH22 ARG A 18 6.090 -8.807 5.158 1.00 61.41 H new ATOM 294 N PRO A 19 0.312 -12.764 0.000 1.00 42.30 N ATOM 295 CA PRO A 19 -0.720 -13.818 -0.274 1.00 51.12 C ATOM 296 C PRO A 19 -1.990 -13.726 0.601 1.00 52.14 C ATOM 297 O PRO A 19 -2.904 -14.548 0.458 1.00 63.43 O ATOM 298 CB PRO A 19 0.061 -15.126 0.011 1.00 73.25 C ATOM 299 CG PRO A 19 1.033 -14.748 1.091 1.00 25.31 C ATOM 300 CD PRO A 19 1.469 -13.329 0.761 1.00 11.42 C ATOM 0 HA PRO A 19 -1.120 -13.729 -1.284 1.00 51.12 H new ATOM 0 HB2 PRO A 19 -0.605 -15.925 0.337 1.00 73.25 H new ATOM 0 HB3 PRO A 19 0.576 -15.484 -0.880 1.00 73.25 H new ATOM 0 HG2 PRO A 19 0.566 -14.797 2.075 1.00 25.31 H new ATOM 0 HG3 PRO A 19 1.885 -15.427 1.108 1.00 25.31 H new ATOM 0 HD2 PRO A 19 1.672 -12.753 1.664 1.00 11.42 H new ATOM 0 HD3 PRO A 19 2.382 -13.320 0.165 1.00 11.42 H new ATOM 308 N ASN A 20 -2.039 -12.720 1.481 1.00 34.22 N ATOM 309 CA ASN A 20 -3.119 -12.544 2.470 1.00 41.11 C ATOM 310 C ASN A 20 -3.290 -11.040 2.812 1.00 71.14 C ATOM 311 O ASN A 20 -2.291 -10.296 2.834 1.00 43.42 O ATOM 312 CB ASN A 20 -2.814 -13.356 3.758 1.00 70.23 C ATOM 313 CG ASN A 20 -1.488 -12.975 4.422 1.00 53.13 C ATOM 314 OD1 ASN A 20 -0.518 -12.621 3.751 1.00 72.44 O ATOM 315 ND2 ASN A 20 -1.430 -13.037 5.741 1.00 73.32 N ATOM 0 H ASN A 20 -1.324 -11.995 1.531 1.00 34.22 H new ATOM 0 HA ASN A 20 -4.049 -12.915 2.039 1.00 41.11 H new ATOM 0 HB2 ASN A 20 -3.624 -13.207 4.472 1.00 70.23 H new ATOM 0 HB3 ASN A 20 -2.796 -14.418 3.513 1.00 70.23 H new ATOM 0 HD21 ASN A 20 -0.568 -12.788 6.226 1.00 73.32 H new ATOM 0 HD22 ASN A 20 -2.248 -13.333 6.274 1.00 73.32 H new ATOM 322 N PRO A 21 -4.562 -10.575 3.075 1.00 14.25 N ATOM 323 CA PRO A 21 -4.865 -9.176 3.481 1.00 42.31 C ATOM 324 C PRO A 21 -4.061 -8.674 4.692 1.00 33.23 C ATOM 325 O PRO A 21 -3.697 -7.511 4.720 1.00 53.21 O ATOM 326 CB PRO A 21 -6.378 -9.207 3.809 1.00 3.21 C ATOM 327 CG PRO A 21 -6.907 -10.310 2.946 1.00 43.41 C ATOM 328 CD PRO A 21 -5.820 -11.365 2.940 1.00 4.13 C ATOM 0 HA PRO A 21 -4.591 -8.482 2.686 1.00 42.31 H new ATOM 0 HB2 PRO A 21 -6.554 -9.406 4.866 1.00 3.21 H new ATOM 0 HB3 PRO A 21 -6.857 -8.255 3.580 1.00 3.21 H new ATOM 0 HG2 PRO A 21 -7.840 -10.708 3.344 1.00 43.41 H new ATOM 0 HG3 PRO A 21 -7.117 -9.955 1.937 1.00 43.41 H new ATOM 0 HD2 PRO A 21 -5.941 -12.070 3.763 1.00 4.13 H new ATOM 0 HD3 PRO A 21 -5.831 -11.947 2.018 1.00 4.13 H new ATOM 336 N GLU A 22 -3.764 -9.575 5.652 1.00 42.13 N ATOM 337 CA GLU A 22 -3.146 -9.211 6.952 1.00 63.22 C ATOM 338 C GLU A 22 -1.764 -8.571 6.759 1.00 64.23 C ATOM 339 O GLU A 22 -1.433 -7.569 7.403 1.00 61.03 O ATOM 340 CB GLU A 22 -3.007 -10.441 7.895 1.00 11.54 C ATOM 341 CG GLU A 22 -4.303 -11.236 8.178 1.00 54.24 C ATOM 342 CD GLU A 22 -4.630 -12.301 7.116 1.00 3.54 C ATOM 343 OE1 GLU A 22 -4.098 -13.426 7.206 1.00 62.30 O ATOM 344 OE2 GLU A 22 -5.405 -12.023 6.187 1.00 23.50 O ATOM 0 H GLU A 22 -3.944 -10.574 5.552 1.00 42.13 H new ATOM 0 HA GLU A 22 -3.817 -8.487 7.415 1.00 63.22 H new ATOM 0 HB2 GLU A 22 -2.275 -11.123 7.463 1.00 11.54 H new ATOM 0 HB3 GLU A 22 -2.601 -10.099 8.847 1.00 11.54 H new ATOM 0 HG2 GLU A 22 -4.214 -11.722 9.149 1.00 54.24 H new ATOM 0 HG3 GLU A 22 -5.137 -10.538 8.246 1.00 54.24 H new ATOM 351 N GLU A 23 -0.960 -9.194 5.893 1.00 24.33 N ATOM 352 CA GLU A 23 0.362 -8.690 5.521 1.00 70.30 C ATOM 353 C GLU A 23 0.226 -7.408 4.675 1.00 54.50 C ATOM 354 O GLU A 23 0.895 -6.418 4.951 1.00 1.11 O ATOM 355 CB GLU A 23 1.146 -9.782 4.753 1.00 64.03 C ATOM 356 CG GLU A 23 1.501 -11.050 5.570 1.00 11.33 C ATOM 357 CD GLU A 23 2.599 -10.846 6.634 1.00 35.52 C ATOM 358 OE1 GLU A 23 3.792 -10.883 6.273 1.00 30.23 O ATOM 359 OE2 GLU A 23 2.277 -10.680 7.827 1.00 53.45 O ATOM 0 H GLU A 23 -1.211 -10.067 5.429 1.00 24.33 H new ATOM 0 HA GLU A 23 0.917 -8.440 6.425 1.00 70.30 H new ATOM 0 HB2 GLU A 23 0.559 -10.083 3.885 1.00 64.03 H new ATOM 0 HB3 GLU A 23 2.070 -9.344 4.376 1.00 64.03 H new ATOM 0 HG2 GLU A 23 0.599 -11.412 6.063 1.00 11.33 H new ATOM 0 HG3 GLU A 23 1.823 -11.831 4.881 1.00 11.33 H new ATOM 366 N VAL A 24 -0.688 -7.439 3.680 1.00 74.12 N ATOM 367 CA VAL A 24 -0.929 -6.319 2.750 1.00 22.04 C ATOM 368 C VAL A 24 -1.281 -5.008 3.491 1.00 15.23 C ATOM 369 O VAL A 24 -0.631 -3.998 3.267 1.00 53.42 O ATOM 370 CB VAL A 24 -2.084 -6.668 1.727 1.00 62.00 C ATOM 371 CG1 VAL A 24 -2.503 -5.437 0.905 1.00 30.22 C ATOM 372 CG2 VAL A 24 -1.684 -7.811 0.769 1.00 54.34 C ATOM 0 H VAL A 24 -1.282 -8.249 3.500 1.00 74.12 H new ATOM 0 HA VAL A 24 0.003 -6.164 2.207 1.00 22.04 H new ATOM 0 HB VAL A 24 -2.931 -7.000 2.327 1.00 62.00 H new ATOM 0 HG11 VAL A 24 -3.298 -5.715 0.213 1.00 30.22 H new ATOM 0 HG12 VAL A 24 -2.862 -4.657 1.576 1.00 30.22 H new ATOM 0 HG13 VAL A 24 -1.646 -5.066 0.343 1.00 30.22 H new ATOM 0 HG21 VAL A 24 -2.507 -8.017 0.085 1.00 54.34 H new ATOM 0 HG22 VAL A 24 -0.803 -7.516 0.199 1.00 54.34 H new ATOM 0 HG23 VAL A 24 -1.459 -8.708 1.346 1.00 54.34 H new ATOM 382 N GLU A 25 -2.279 -5.064 4.399 1.00 13.01 N ATOM 383 CA GLU A 25 -2.908 -3.856 4.974 1.00 15.22 C ATOM 384 C GLU A 25 -1.955 -3.066 5.883 1.00 41.04 C ATOM 385 O GLU A 25 -2.055 -1.842 5.950 1.00 40.13 O ATOM 386 CB GLU A 25 -4.264 -4.196 5.680 1.00 11.00 C ATOM 387 CG GLU A 25 -4.244 -5.266 6.814 1.00 43.11 C ATOM 388 CD GLU A 25 -3.724 -4.817 8.200 1.00 21.12 C ATOM 389 OE1 GLU A 25 -3.760 -3.611 8.513 1.00 44.41 O ATOM 390 OE2 GLU A 25 -3.304 -5.693 8.992 1.00 41.24 O ATOM 0 H GLU A 25 -2.668 -5.939 4.751 1.00 13.01 H new ATOM 0 HA GLU A 25 -3.138 -3.193 4.140 1.00 15.22 H new ATOM 0 HB2 GLU A 25 -4.665 -3.273 6.098 1.00 11.00 H new ATOM 0 HB3 GLU A 25 -4.965 -4.531 4.916 1.00 11.00 H new ATOM 0 HG2 GLU A 25 -5.259 -5.644 6.940 1.00 43.11 H new ATOM 0 HG3 GLU A 25 -3.632 -6.103 6.478 1.00 43.11 H new ATOM 397 N LYS A 26 -1.032 -3.782 6.554 1.00 22.31 N ATOM 398 CA LYS A 26 0.016 -3.172 7.393 1.00 64.41 C ATOM 399 C LYS A 26 0.961 -2.318 6.532 1.00 0.54 C ATOM 400 O LYS A 26 1.294 -1.181 6.891 1.00 41.14 O ATOM 401 CB LYS A 26 0.806 -4.283 8.139 1.00 64.43 C ATOM 402 CG LYS A 26 -0.004 -4.996 9.236 1.00 34.34 C ATOM 403 CD LYS A 26 0.770 -6.146 9.916 1.00 52.40 C ATOM 404 CE LYS A 26 -0.080 -6.862 10.980 1.00 4.04 C ATOM 405 NZ LYS A 26 -1.335 -7.430 10.408 1.00 32.32 N ATOM 0 H LYS A 26 -0.993 -4.801 6.529 1.00 22.31 H new ATOM 0 HA LYS A 26 -0.453 -2.521 8.131 1.00 64.41 H new ATOM 0 HB2 LYS A 26 1.146 -5.022 7.414 1.00 64.43 H new ATOM 0 HB3 LYS A 26 1.697 -3.843 8.587 1.00 64.43 H new ATOM 0 HG2 LYS A 26 -0.298 -4.268 9.992 1.00 34.34 H new ATOM 0 HG3 LYS A 26 -0.922 -5.392 8.801 1.00 34.34 H new ATOM 0 HD2 LYS A 26 1.088 -6.865 9.161 1.00 52.40 H new ATOM 0 HD3 LYS A 26 1.674 -5.751 10.380 1.00 52.40 H new ATOM 0 HE2 LYS A 26 0.506 -7.662 11.433 1.00 4.04 H new ATOM 0 HE3 LYS A 26 -0.330 -6.160 11.776 1.00 4.04 H new ATOM 0 HZ1 LYS A 26 -1.710 -8.158 11.049 1.00 32.32 H new ATOM 0 HZ2 LYS A 26 -2.039 -6.673 10.294 1.00 32.32 H new ATOM 0 HZ3 LYS A 26 -1.132 -7.856 9.481 1.00 32.32 H new ATOM 419 N GLU A 27 1.338 -2.878 5.372 1.00 40.43 N ATOM 420 CA GLU A 27 2.247 -2.235 4.418 1.00 40.33 C ATOM 421 C GLU A 27 1.537 -1.065 3.728 1.00 2.51 C ATOM 422 O GLU A 27 2.059 0.028 3.664 1.00 71.32 O ATOM 423 CB GLU A 27 2.745 -3.264 3.361 1.00 52.41 C ATOM 424 CG GLU A 27 3.298 -4.577 3.952 1.00 42.21 C ATOM 425 CD GLU A 27 4.463 -4.399 4.949 1.00 4.53 C ATOM 426 OE1 GLU A 27 5.609 -4.182 4.504 1.00 2.44 O ATOM 427 OE2 GLU A 27 4.240 -4.470 6.175 1.00 5.15 O ATOM 0 H GLU A 27 1.016 -3.798 5.070 1.00 40.43 H new ATOM 0 HA GLU A 27 3.112 -1.854 4.960 1.00 40.33 H new ATOM 0 HB2 GLU A 27 1.920 -3.503 2.689 1.00 52.41 H new ATOM 0 HB3 GLU A 27 3.523 -2.797 2.757 1.00 52.41 H new ATOM 0 HG2 GLU A 27 2.486 -5.103 4.454 1.00 42.21 H new ATOM 0 HG3 GLU A 27 3.633 -5.214 3.134 1.00 42.21 H new ATOM 434 N ALA A 28 0.291 -1.320 3.309 1.00 33.21 N ATOM 435 CA ALA A 28 -0.485 -0.431 2.441 1.00 22.40 C ATOM 436 C ALA A 28 -0.906 0.855 3.156 1.00 54.14 C ATOM 437 O ALA A 28 -0.762 1.945 2.588 1.00 34.35 O ATOM 438 CB ALA A 28 -1.707 -1.181 1.901 1.00 44.40 C ATOM 0 H ALA A 28 -0.214 -2.167 3.570 1.00 33.21 H new ATOM 0 HA ALA A 28 0.153 -0.130 1.610 1.00 22.40 H new ATOM 0 HB1 ALA A 28 -2.284 -0.519 1.255 1.00 44.40 H new ATOM 0 HB2 ALA A 28 -1.378 -2.049 1.330 1.00 44.40 H new ATOM 0 HB3 ALA A 28 -2.330 -1.509 2.733 1.00 44.40 H new ATOM 444 N ARG A 29 -1.407 0.712 4.404 1.00 74.35 N ATOM 445 CA ARG A 29 -1.884 1.854 5.206 1.00 43.23 C ATOM 446 C ARG A 29 -0.723 2.829 5.472 1.00 52.24 C ATOM 447 O ARG A 29 -0.862 4.030 5.288 1.00 23.13 O ATOM 448 CB ARG A 29 -2.547 1.381 6.547 1.00 15.10 C ATOM 449 CG ARG A 29 -1.566 0.810 7.618 1.00 35.52 C ATOM 450 CD ARG A 29 -2.245 0.225 8.870 1.00 64.30 C ATOM 451 NE ARG A 29 -1.243 -0.186 9.878 1.00 22.35 N ATOM 452 CZ ARG A 29 -1.269 -1.320 10.599 1.00 25.41 C ATOM 453 NH1 ARG A 29 -2.246 -2.205 10.451 1.00 63.12 N ATOM 454 NH2 ARG A 29 -0.305 -1.560 11.474 1.00 1.52 N ATOM 0 H ARG A 29 -1.490 -0.188 4.876 1.00 74.35 H new ATOM 0 HA ARG A 29 -2.655 2.374 4.637 1.00 43.23 H new ATOM 0 HB2 ARG A 29 -3.083 2.224 6.984 1.00 15.10 H new ATOM 0 HB3 ARG A 29 -3.289 0.617 6.315 1.00 15.10 H new ATOM 0 HG2 ARG A 29 -0.958 0.033 7.155 1.00 35.52 H new ATOM 0 HG3 ARG A 29 -0.887 1.604 7.928 1.00 35.52 H new ATOM 0 HD2 ARG A 29 -2.917 0.966 9.302 1.00 64.30 H new ATOM 0 HD3 ARG A 29 -2.855 -0.633 8.589 1.00 64.30 H new ATOM 0 HE ARG A 29 -0.461 0.449 10.041 1.00 22.35 H new ATOM 0 HH11 ARG A 29 -2.995 -2.031 9.781 1.00 63.12 H new ATOM 0 HH12 ARG A 29 -2.248 -3.060 11.007 1.00 63.12 H new ATOM 0 HH21 ARG A 29 0.451 -0.886 11.598 1.00 1.52 H new ATOM 0 HH22 ARG A 29 -0.318 -2.418 12.025 1.00 1.52 H new ATOM 468 N ARG A 30 0.436 2.273 5.860 1.00 34.35 N ATOM 469 CA ARG A 30 1.602 3.061 6.263 1.00 0.44 C ATOM 470 C ARG A 30 2.325 3.662 5.055 1.00 42.24 C ATOM 471 O ARG A 30 2.728 4.805 5.125 1.00 71.11 O ATOM 472 CB ARG A 30 2.554 2.215 7.143 1.00 4.42 C ATOM 473 CG ARG A 30 1.990 1.825 8.533 1.00 13.20 C ATOM 474 CD ARG A 30 1.734 3.026 9.475 1.00 43.41 C ATOM 475 NE ARG A 30 0.564 3.850 9.089 1.00 11.21 N ATOM 476 CZ ARG A 30 0.366 5.130 9.459 1.00 42.20 C ATOM 477 NH1 ARG A 30 1.244 5.771 10.228 1.00 0.00 N ATOM 478 NH2 ARG A 30 -0.715 5.776 9.061 1.00 14.42 N ATOM 0 H ARG A 30 0.587 1.265 5.902 1.00 34.35 H new ATOM 0 HA ARG A 30 1.250 3.899 6.864 1.00 0.44 H new ATOM 0 HB2 ARG A 30 2.809 1.303 6.603 1.00 4.42 H new ATOM 0 HB3 ARG A 30 3.481 2.770 7.287 1.00 4.42 H new ATOM 0 HG2 ARG A 30 1.055 1.282 8.394 1.00 13.20 H new ATOM 0 HG3 ARG A 30 2.687 1.141 9.016 1.00 13.20 H new ATOM 0 HD2 ARG A 30 1.587 2.655 10.489 1.00 43.41 H new ATOM 0 HD3 ARG A 30 2.622 3.658 9.492 1.00 43.41 H new ATOM 0 HE ARG A 30 -0.145 3.415 8.499 1.00 11.21 H new ATOM 0 HH11 ARG A 30 2.086 5.293 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.075 6.740 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.402 5.306 8.472 1.00 14.42 H new ATOM 0 HH22 ARG A 30 -0.863 6.745 9.343 1.00 14.42 H new ATOM 492 N THR A 31 2.458 2.883 3.952 1.00 73.34 N ATOM 493 CA THR A 31 3.111 3.352 2.700 1.00 53.41 C ATOM 494 C THR A 31 2.356 4.557 2.106 1.00 52.22 C ATOM 495 O THR A 31 2.974 5.567 1.763 1.00 15.34 O ATOM 496 CB THR A 31 3.230 2.190 1.643 1.00 73.11 C ATOM 497 OG1 THR A 31 4.093 1.168 2.165 1.00 0.11 O ATOM 498 CG2 THR A 31 3.776 2.647 0.274 1.00 50.43 C ATOM 0 H THR A 31 2.120 1.922 3.903 1.00 73.34 H new ATOM 0 HA THR A 31 4.121 3.673 2.955 1.00 53.41 H new ATOM 0 HB THR A 31 2.219 1.820 1.474 1.00 73.11 H new ATOM 0 HG1 THR A 31 3.585 0.588 2.769 1.00 0.11 H new ATOM 0 HG21 THR A 31 3.829 1.792 -0.400 1.00 50.43 H new ATOM 0 HG22 THR A 31 3.113 3.402 -0.149 1.00 50.43 H new ATOM 0 HG23 THR A 31 4.772 3.070 0.403 1.00 50.43 H new ATOM 506 N LYS A 32 1.018 4.440 2.052 1.00 12.41 N ATOM 507 CA LYS A 32 0.111 5.498 1.569 1.00 11.43 C ATOM 508 C LYS A 32 0.329 6.817 2.327 1.00 41.23 C ATOM 509 O LYS A 32 0.557 7.871 1.710 1.00 32.21 O ATOM 510 CB LYS A 32 -1.377 5.037 1.729 1.00 74.01 C ATOM 511 CG LYS A 32 -2.001 4.322 0.513 1.00 13.53 C ATOM 512 CD LYS A 32 -2.157 5.249 -0.716 1.00 12.42 C ATOM 513 CE LYS A 32 -2.980 6.525 -0.419 1.00 10.21 C ATOM 514 NZ LYS A 32 -4.339 6.234 0.108 1.00 41.43 N ATOM 0 H LYS A 32 0.528 3.595 2.347 1.00 12.41 H new ATOM 0 HA LYS A 32 0.332 5.673 0.516 1.00 11.43 H new ATOM 0 HB2 LYS A 32 -1.439 4.369 2.588 1.00 74.01 H new ATOM 0 HB3 LYS A 32 -1.984 5.912 1.961 1.00 74.01 H new ATOM 0 HG2 LYS A 32 -1.380 3.469 0.241 1.00 13.53 H new ATOM 0 HG3 LYS A 32 -2.979 3.929 0.791 1.00 13.53 H new ATOM 0 HD2 LYS A 32 -1.168 5.538 -1.073 1.00 12.42 H new ATOM 0 HD3 LYS A 32 -2.637 4.694 -1.522 1.00 12.42 H new ATOM 0 HE2 LYS A 32 -2.441 7.138 0.303 1.00 10.21 H new ATOM 0 HE3 LYS A 32 -3.069 7.113 -1.332 1.00 10.21 H new ATOM 0 HZ1 LYS A 32 -4.840 7.127 0.287 1.00 41.43 H new ATOM 0 HZ2 LYS A 32 -4.869 5.673 -0.589 1.00 41.43 H new ATOM 0 HZ3 LYS A 32 -4.260 5.698 0.995 1.00 41.43 H new ATOM 528 N GLU A 33 0.255 6.734 3.665 1.00 24.22 N ATOM 529 CA GLU A 33 0.334 7.915 4.532 1.00 52.40 C ATOM 530 C GLU A 33 1.787 8.448 4.629 1.00 44.32 C ATOM 531 O GLU A 33 1.981 9.644 4.815 1.00 23.41 O ATOM 532 CB GLU A 33 -0.243 7.610 5.944 1.00 2.42 C ATOM 533 CG GLU A 33 -1.654 6.951 5.976 1.00 25.13 C ATOM 534 CD GLU A 33 -2.707 7.565 5.024 1.00 74.31 C ATOM 535 OE1 GLU A 33 -3.371 8.558 5.401 1.00 55.21 O ATOM 536 OE2 GLU A 33 -2.908 7.024 3.914 1.00 45.12 O ATOM 0 H GLU A 33 0.140 5.855 4.170 1.00 24.22 H new ATOM 0 HA GLU A 33 -0.276 8.697 4.080 1.00 52.40 H new ATOM 0 HB2 GLU A 33 0.454 6.955 6.466 1.00 2.42 H new ATOM 0 HB3 GLU A 33 -0.286 8.543 6.507 1.00 2.42 H new ATOM 0 HG2 GLU A 33 -1.546 5.894 5.734 1.00 25.13 H new ATOM 0 HG3 GLU A 33 -2.037 7.007 6.995 1.00 25.13 H new ATOM 543 N GLU A 34 2.789 7.538 4.476 1.00 43.33 N ATOM 544 CA GLU A 34 4.243 7.861 4.585 1.00 40.23 C ATOM 545 C GLU A 34 4.688 8.763 3.428 1.00 24.12 C ATOM 546 O GLU A 34 5.489 9.689 3.615 1.00 71.32 O ATOM 547 CB GLU A 34 5.104 6.561 4.613 1.00 25.42 C ATOM 548 CG GLU A 34 6.624 6.790 4.738 1.00 23.22 C ATOM 549 CD GLU A 34 7.427 5.491 4.898 1.00 34.10 C ATOM 550 OE1 GLU A 34 7.322 4.850 5.966 1.00 65.12 O ATOM 551 OE2 GLU A 34 8.159 5.102 3.963 1.00 13.22 O ATOM 0 H GLU A 34 2.611 6.554 4.273 1.00 43.33 H new ATOM 0 HA GLU A 34 4.395 8.395 5.523 1.00 40.23 H new ATOM 0 HB2 GLU A 34 4.775 5.943 5.448 1.00 25.42 H new ATOM 0 HB3 GLU A 34 4.911 5.995 3.702 1.00 25.42 H new ATOM 0 HG2 GLU A 34 6.978 7.320 3.854 1.00 23.22 H new ATOM 0 HG3 GLU A 34 6.817 7.435 5.595 1.00 23.22 H new ATOM 558 N GLU A 35 4.135 8.485 2.237 1.00 34.12 N ATOM 559 CA GLU A 35 4.327 9.311 1.028 1.00 1.12 C ATOM 560 C GLU A 35 3.842 10.754 1.261 1.00 52.32 C ATOM 561 O GLU A 35 4.396 11.713 0.722 1.00 54.30 O ATOM 562 CB GLU A 35 3.558 8.681 -0.154 1.00 61.23 C ATOM 563 CG GLU A 35 4.092 7.313 -0.600 1.00 1.03 C ATOM 564 CD GLU A 35 5.492 7.374 -1.240 1.00 63.02 C ATOM 565 OE1 GLU A 35 5.612 7.926 -2.356 1.00 34.34 O ATOM 566 OE2 GLU A 35 6.464 6.857 -0.654 1.00 63.45 O ATOM 0 H GLU A 35 3.536 7.674 2.082 1.00 34.12 H new ATOM 0 HA GLU A 35 5.392 9.345 0.797 1.00 1.12 H new ATOM 0 HB2 GLU A 35 2.510 8.575 0.126 1.00 61.23 H new ATOM 0 HB3 GLU A 35 3.594 9.366 -1.001 1.00 61.23 H new ATOM 0 HG2 GLU A 35 4.125 6.647 0.262 1.00 1.03 H new ATOM 0 HG3 GLU A 35 3.394 6.876 -1.314 1.00 1.03 H new ATOM 573 N CYS A 36 2.810 10.884 2.098 1.00 52.14 N ATOM 574 CA CYS A 36 2.201 12.169 2.445 1.00 52.13 C ATOM 575 C CYS A 36 2.641 12.607 3.869 1.00 2.14 C ATOM 576 O CYS A 36 2.028 13.492 4.461 1.00 62.30 O ATOM 577 CB CYS A 36 0.654 12.025 2.327 1.00 23.43 C ATOM 578 SG CYS A 36 -0.232 13.601 2.088 1.00 24.02 S ATOM 0 H CYS A 36 2.368 10.089 2.560 1.00 52.14 H new ATOM 0 HA CYS A 36 2.534 12.949 1.760 1.00 52.13 H new ATOM 0 HB2 CYS A 36 0.425 11.363 1.492 1.00 23.43 H new ATOM 0 HB3 CYS A 36 0.276 11.543 3.228 1.00 23.43 H new