USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.23) USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 TYR OH : rot 165:sc= -1.23 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.359 X(o=-1.6,f=-1.3) USER MOD Single : A 1 VAL N :NH3+ -112:sc= -0.453 (180deg=-0.615) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.56 K(o=-2.6,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 133:sc= 1.18 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.612 USER MOD Single : A 29 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 35 TYR OH : rot -63:sc= 0.149 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.652 X(o=-0.65,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.847 -0.747 0.036 1.00 62.42 N ATOM 2 CA VAL A 1 2.564 -0.634 -1.229 1.00 20.12 C ATOM 3 C VAL A 1 3.029 0.797 -1.471 1.00 1.44 C ATOM 4 O VAL A 1 2.487 1.742 -0.897 1.00 1.32 O ATOM 5 CB VAL A 1 1.688 -1.085 -2.413 1.00 11.52 C ATOM 6 CG1 VAL A 1 1.327 -2.556 -2.281 1.00 34.24 C ATOM 7 CG2 VAL A 1 0.436 -0.226 -2.505 1.00 55.12 C ATOM 0 H1 VAL A 1 2.408 -1.314 0.703 1.00 62.42 H new ATOM 0 H2 VAL A 1 1.692 0.202 0.433 1.00 62.42 H new ATOM 0 H3 VAL A 1 0.929 -1.209 -0.125 1.00 62.42 H new ATOM 0 HA VAL A 1 3.433 -1.288 -1.160 1.00 20.12 H new ATOM 0 HB VAL A 1 2.258 -0.958 -3.334 1.00 11.52 H new ATOM 0 HG11 VAL A 1 0.708 -2.856 -3.127 1.00 34.24 H new ATOM 0 HG12 VAL A 1 2.238 -3.154 -2.268 1.00 34.24 H new ATOM 0 HG13 VAL A 1 0.776 -2.714 -1.354 1.00 34.24 H new ATOM 0 HG21 VAL A 1 -0.172 -0.558 -3.347 1.00 55.12 H new ATOM 0 HG22 VAL A 1 -0.138 -0.320 -1.583 1.00 55.12 H new ATOM 0 HG23 VAL A 1 0.720 0.816 -2.651 1.00 55.12 H new ATOM 17 N ARG A 2 4.036 0.950 -2.324 1.00 42.31 N ATOM 18 CA ARG A 2 4.575 2.267 -2.642 1.00 3.22 C ATOM 19 C ARG A 2 5.207 2.275 -4.031 1.00 0.53 C ATOM 20 O ARG A 2 5.677 1.246 -4.516 1.00 53.21 O ATOM 21 CB ARG A 2 5.611 2.683 -1.596 1.00 44.41 C ATOM 22 CG ARG A 2 6.908 1.895 -1.676 1.00 63.12 C ATOM 23 CD ARG A 2 6.742 0.491 -1.116 1.00 61.10 C ATOM 24 NE ARG A 2 7.745 0.185 -0.100 1.00 20.15 N ATOM 25 CZ ARG A 2 7.599 -0.769 0.813 1.00 30.03 C ATOM 26 NH1 ARG A 2 6.497 -1.506 0.836 1.00 21.21 N ATOM 27 NH2 ARG A 2 8.557 -0.988 1.705 1.00 15.55 N ATOM 0 H ARG A 2 4.495 0.178 -2.808 1.00 42.31 H new ATOM 0 HA ARG A 2 3.752 2.981 -2.632 1.00 3.22 H new ATOM 0 HB2 ARG A 2 5.832 3.743 -1.718 1.00 44.41 H new ATOM 0 HB3 ARG A 2 5.181 2.559 -0.602 1.00 44.41 H new ATOM 0 HG2 ARG A 2 7.237 1.838 -2.714 1.00 63.12 H new ATOM 0 HG3 ARG A 2 7.688 2.419 -1.123 1.00 63.12 H new ATOM 0 HD2 ARG A 2 5.746 0.388 -0.685 1.00 61.10 H new ATOM 0 HD3 ARG A 2 6.815 -0.234 -1.927 1.00 61.10 H new ATOM 0 HE ARG A 2 8.605 0.734 -0.091 1.00 20.15 H new ATOM 0 HH11 ARG A 2 5.759 -1.341 0.152 1.00 21.21 H new ATOM 0 HH12 ARG A 2 6.387 -2.238 1.538 1.00 21.21 H new ATOM 0 HH21 ARG A 2 9.406 -0.424 1.690 1.00 15.55 H new ATOM 0 HH22 ARG A 2 8.444 -1.721 2.406 1.00 15.55 H new ATOM 41 N ASP A 3 5.214 3.443 -4.665 1.00 21.24 N ATOM 42 CA ASP A 3 5.788 3.586 -5.997 1.00 64.45 C ATOM 43 C ASP A 3 7.312 3.635 -5.930 1.00 74.15 C ATOM 44 O ASP A 3 7.884 4.148 -4.970 1.00 1.32 O ATOM 45 CB ASP A 3 5.254 4.849 -6.674 1.00 1.34 C ATOM 46 CG ASP A 3 3.875 5.234 -6.174 1.00 45.31 C ATOM 47 OD1 ASP A 3 3.018 4.335 -6.046 1.00 0.23 O ATOM 48 OD2 ASP A 3 3.654 6.435 -5.911 1.00 22.42 O ATOM 0 H ASP A 3 4.828 4.304 -4.277 1.00 21.24 H new ATOM 0 HA ASP A 3 5.496 2.717 -6.586 1.00 64.45 H new ATOM 0 HB2 ASP A 3 5.945 5.673 -6.496 1.00 1.34 H new ATOM 0 HB3 ASP A 3 5.216 4.692 -7.752 1.00 1.34 H new ATOM 53 N ALA A 4 7.962 3.097 -6.957 1.00 73.50 N ATOM 54 CA ALA A 4 9.418 3.080 -7.015 1.00 61.00 C ATOM 55 C ALA A 4 9.909 2.407 -8.292 1.00 40.14 C ATOM 56 O ALA A 4 9.113 2.038 -9.156 1.00 63.13 O ATOM 57 CB ALA A 4 9.987 2.375 -5.793 1.00 30.04 C ATOM 0 H ALA A 4 7.503 2.667 -7.760 1.00 73.50 H new ATOM 0 HA ALA A 4 9.768 4.112 -7.021 1.00 61.00 H new ATOM 0 HB1 ALA A 4 11.076 2.370 -5.850 1.00 30.04 H new ATOM 0 HB2 ALA A 4 9.673 2.900 -4.891 1.00 30.04 H new ATOM 0 HB3 ALA A 4 9.621 1.349 -5.761 1.00 30.04 H new ATOM 63 N TYR A 5 11.223 2.251 -8.406 1.00 3.52 N ATOM 64 CA TYR A 5 11.820 1.626 -9.580 1.00 23.34 C ATOM 65 C TYR A 5 11.930 0.115 -9.395 1.00 54.25 C ATOM 66 O TYR A 5 12.909 -0.384 -8.841 1.00 62.32 O ATOM 67 CB TYR A 5 13.204 2.219 -9.852 1.00 33.13 C ATOM 68 CG TYR A 5 13.196 3.327 -10.880 1.00 53.13 C ATOM 69 CD1 TYR A 5 13.103 3.041 -12.237 1.00 54.40 C ATOM 70 CD2 TYR A 5 13.282 4.659 -10.496 1.00 2.40 C ATOM 71 CE1 TYR A 5 13.096 4.050 -13.181 1.00 14.54 C ATOM 72 CE2 TYR A 5 13.274 5.675 -11.432 1.00 64.14 C ATOM 73 CZ TYR A 5 13.181 5.365 -12.773 1.00 42.54 C ATOM 74 OH TYR A 5 13.175 6.374 -13.709 1.00 54.24 O ATOM 0 H TYR A 5 11.895 2.549 -7.699 1.00 3.52 H new ATOM 0 HA TYR A 5 11.173 1.824 -10.434 1.00 23.34 H new ATOM 0 HB2 TYR A 5 13.615 2.604 -8.919 1.00 33.13 H new ATOM 0 HB3 TYR A 5 13.870 1.425 -10.191 1.00 33.13 H new ATOM 0 HD1 TYR A 5 13.035 2.012 -12.559 1.00 54.40 H new ATOM 0 HD2 TYR A 5 13.356 4.905 -9.447 1.00 2.40 H new ATOM 0 HE1 TYR A 5 13.024 3.811 -14.232 1.00 14.54 H new ATOM 0 HE2 TYR A 5 13.340 6.706 -11.116 1.00 64.14 H new ATOM 0 HH TYR A 5 13.001 7.231 -13.266 1.00 54.24 H new ATOM 84 N ILE A 6 10.917 -0.606 -9.865 1.00 64.20 N ATOM 85 CA ILE A 6 10.900 -2.059 -9.754 1.00 74.53 C ATOM 86 C ILE A 6 12.073 -2.682 -10.504 1.00 34.33 C ATOM 87 O ILE A 6 12.506 -2.170 -11.535 1.00 52.31 O ATOM 88 CB ILE A 6 9.585 -2.650 -10.299 1.00 44.51 C ATOM 89 CG1 ILE A 6 9.635 -4.178 -10.265 1.00 34.40 C ATOM 90 CG2 ILE A 6 9.329 -2.154 -11.714 1.00 51.24 C ATOM 91 CD1 ILE A 6 8.277 -4.830 -10.407 1.00 12.13 C ATOM 0 H ILE A 6 10.099 -0.208 -10.326 1.00 64.20 H new ATOM 0 HA ILE A 6 10.983 -2.295 -8.693 1.00 74.53 H new ATOM 0 HB ILE A 6 8.763 -2.318 -9.664 1.00 44.51 H new ATOM 0 HG12 ILE A 6 10.284 -4.530 -11.067 1.00 34.40 H new ATOM 0 HG13 ILE A 6 10.086 -4.498 -9.326 1.00 34.40 H new ATOM 0 HG21 ILE A 6 8.397 -2.580 -12.086 1.00 51.24 H new ATOM 0 HG22 ILE A 6 9.255 -1.066 -11.711 1.00 51.24 H new ATOM 0 HG23 ILE A 6 10.151 -2.460 -12.361 1.00 51.24 H new ATOM 0 HD11 ILE A 6 8.389 -5.914 -10.374 1.00 12.13 H new ATOM 0 HD12 ILE A 6 7.631 -4.507 -9.591 1.00 12.13 H new ATOM 0 HD13 ILE A 6 7.832 -4.540 -11.359 1.00 12.13 H new ATOM 103 N ALA A 7 12.581 -3.792 -9.978 1.00 60.13 N ATOM 104 CA ALA A 7 13.701 -4.488 -10.599 1.00 43.45 C ATOM 105 C ALA A 7 13.634 -5.987 -10.331 1.00 33.14 C ATOM 106 O ALA A 7 12.764 -6.459 -9.597 1.00 45.52 O ATOM 107 CB ALA A 7 15.020 -3.918 -10.097 1.00 71.33 C ATOM 0 H ALA A 7 12.235 -4.228 -9.124 1.00 60.13 H new ATOM 0 HA ALA A 7 13.638 -4.336 -11.677 1.00 43.45 H new ATOM 0 HB1 ALA A 7 15.848 -4.447 -10.569 1.00 71.33 H new ATOM 0 HB2 ALA A 7 15.077 -2.858 -10.347 1.00 71.33 H new ATOM 0 HB3 ALA A 7 15.081 -4.040 -9.016 1.00 71.33 H new ATOM 113 N LYS A 8 14.556 -6.733 -10.929 1.00 41.14 N ATOM 114 CA LYS A 8 14.602 -8.180 -10.755 1.00 4.23 C ATOM 115 C LYS A 8 15.903 -8.605 -10.082 1.00 25.23 C ATOM 116 O LYS A 8 16.982 -8.090 -10.379 1.00 75.21 O ATOM 117 CB LYS A 8 14.462 -8.882 -12.107 1.00 71.20 C ATOM 118 CG LYS A 8 14.676 -10.384 -12.037 1.00 63.25 C ATOM 119 CD LYS A 8 14.851 -10.987 -13.421 1.00 72.32 C ATOM 120 CE LYS A 8 16.291 -11.409 -13.668 1.00 4.40 C ATOM 121 NZ LYS A 8 16.518 -12.839 -13.323 1.00 33.40 N ATOM 0 H LYS A 8 15.283 -6.359 -11.539 1.00 41.14 H new ATOM 0 HA LYS A 8 13.769 -8.471 -10.114 1.00 4.23 H new ATOM 0 HB2 LYS A 8 13.469 -8.683 -12.509 1.00 71.20 H new ATOM 0 HB3 LYS A 8 15.180 -8.453 -12.806 1.00 71.20 H new ATOM 0 HG2 LYS A 8 15.556 -10.599 -11.431 1.00 63.25 H new ATOM 0 HG3 LYS A 8 13.825 -10.851 -11.540 1.00 63.25 H new ATOM 0 HD2 LYS A 8 14.194 -11.850 -13.528 1.00 72.32 H new ATOM 0 HD3 LYS A 8 14.549 -10.261 -14.176 1.00 72.32 H new ATOM 0 HE2 LYS A 8 16.543 -11.244 -14.716 1.00 4.40 H new ATOM 0 HE3 LYS A 8 16.959 -10.783 -13.077 1.00 4.40 H new ATOM 0 HZ1 LYS A 8 17.511 -13.087 -13.506 1.00 33.40 H new ATOM 0 HZ2 LYS A 8 16.302 -12.992 -12.317 1.00 33.40 H new ATOM 0 HZ3 LYS A 8 15.899 -13.439 -13.905 1.00 33.40 H new ATOM 135 N PRO A 9 15.803 -9.569 -9.154 1.00 4.52 N ATOM 136 CA PRO A 9 16.963 -10.086 -8.421 1.00 41.43 C ATOM 137 C PRO A 9 17.893 -10.903 -9.311 1.00 22.31 C ATOM 138 O PRO A 9 17.482 -11.409 -10.354 1.00 72.34 O ATOM 139 CB PRO A 9 16.335 -10.974 -7.345 1.00 21.24 C ATOM 140 CG PRO A 9 15.020 -11.385 -7.912 1.00 24.20 C ATOM 141 CD PRO A 9 14.550 -10.228 -8.749 1.00 4.53 C ATOM 0 HA PRO A 9 17.584 -9.284 -8.022 1.00 41.43 H new ATOM 0 HB2 PRO A 9 16.962 -11.840 -7.131 1.00 21.24 H new ATOM 0 HB3 PRO A 9 16.210 -10.432 -6.408 1.00 21.24 H new ATOM 0 HG2 PRO A 9 15.120 -12.288 -8.515 1.00 24.20 H new ATOM 0 HG3 PRO A 9 14.306 -11.609 -7.119 1.00 24.20 H new ATOM 0 HD2 PRO A 9 13.975 -10.564 -9.612 1.00 4.53 H new ATOM 0 HD3 PRO A 9 13.908 -9.555 -8.180 1.00 4.53 H new ATOM 149 N GLU A 10 19.148 -11.029 -8.890 1.00 41.45 N ATOM 150 CA GLU A 10 19.601 -10.416 -7.647 1.00 43.34 C ATOM 151 C GLU A 10 20.003 -8.961 -7.873 1.00 10.11 C ATOM 152 O GLU A 10 20.979 -8.676 -8.565 1.00 4.23 O ATOM 153 CB GLU A 10 20.782 -11.198 -7.068 1.00 35.13 C ATOM 154 CG GLU A 10 20.605 -11.571 -5.605 1.00 42.13 C ATOM 155 CD GLU A 10 20.828 -10.396 -4.673 1.00 30.12 C ATOM 156 OE1 GLU A 10 19.953 -9.507 -4.617 1.00 74.45 O ATOM 157 OE2 GLU A 10 21.879 -10.366 -3.998 1.00 35.10 O ATOM 0 H GLU A 10 19.868 -11.549 -9.391 1.00 41.45 H new ATOM 0 HA GLU A 10 18.774 -10.441 -6.937 1.00 43.34 H new ATOM 0 HB2 GLU A 10 20.926 -12.107 -7.651 1.00 35.13 H new ATOM 0 HB3 GLU A 10 21.689 -10.603 -7.176 1.00 35.13 H new ATOM 0 HG2 GLU A 10 19.600 -11.965 -5.453 1.00 42.13 H new ATOM 0 HG3 GLU A 10 21.302 -12.369 -5.350 1.00 42.13 H new ATOM 164 N ASN A 11 19.241 -8.045 -7.284 1.00 4.33 N ATOM 165 CA ASN A 11 19.516 -6.619 -7.421 1.00 25.12 C ATOM 166 C ASN A 11 19.923 -6.279 -8.851 1.00 41.43 C ATOM 167 O ASN A 11 21.085 -5.973 -9.122 1.00 71.53 O ATOM 168 CB ASN A 11 20.621 -6.196 -6.450 1.00 61.03 C ATOM 169 CG ASN A 11 20.465 -4.761 -5.987 1.00 10.52 C ATOM 170 OD1 ASN A 11 19.359 -4.221 -5.964 1.00 52.31 O ATOM 171 ND2 ASN A 11 21.576 -4.135 -5.615 1.00 33.04 N ATOM 0 H ASN A 11 18.429 -8.264 -6.708 1.00 4.33 H new ATOM 0 HA ASN A 11 18.603 -6.073 -7.182 1.00 25.12 H new ATOM 0 HB2 ASN A 11 20.612 -6.857 -5.584 1.00 61.03 H new ATOM 0 HB3 ASN A 11 21.591 -6.316 -6.933 1.00 61.03 H new ATOM 0 HD21 ASN A 11 21.533 -3.168 -5.294 1.00 33.04 H new ATOM 0 HD22 ASN A 11 22.472 -4.622 -5.650 1.00 33.04 H new ATOM 178 N CYS A 12 18.958 -6.332 -9.763 1.00 63.34 N ATOM 179 CA CYS A 12 19.214 -6.030 -11.166 1.00 41.25 C ATOM 180 C CYS A 12 18.093 -5.176 -11.752 1.00 0.11 C ATOM 181 O CYS A 12 16.912 -5.458 -11.549 1.00 21.03 O ATOM 182 CB CYS A 12 19.358 -7.323 -11.971 1.00 31.33 C ATOM 183 SG CYS A 12 21.067 -7.698 -12.476 1.00 64.42 S ATOM 0 H CYS A 12 17.991 -6.581 -9.555 1.00 63.34 H new ATOM 0 HA CYS A 12 20.146 -5.467 -11.226 1.00 41.25 H new ATOM 0 HB2 CYS A 12 18.976 -8.153 -11.377 1.00 31.33 H new ATOM 0 HB3 CYS A 12 18.734 -7.255 -12.862 1.00 31.33 H new ATOM 188 N VAL A 13 18.472 -4.130 -12.480 1.00 73.31 N ATOM 189 CA VAL A 13 17.500 -3.236 -13.097 1.00 15.44 C ATOM 190 C VAL A 13 16.768 -3.925 -14.243 1.00 43.42 C ATOM 191 O VAL A 13 17.219 -4.951 -14.753 1.00 34.12 O ATOM 192 CB VAL A 13 18.172 -1.955 -13.627 1.00 21.42 C ATOM 193 CG1 VAL A 13 18.742 -1.136 -12.478 1.00 73.55 C ATOM 194 CG2 VAL A 13 19.257 -2.302 -14.635 1.00 23.53 C ATOM 0 H VAL A 13 19.445 -3.881 -12.657 1.00 73.31 H new ATOM 0 HA VAL A 13 16.782 -2.967 -12.322 1.00 15.44 H new ATOM 0 HB VAL A 13 17.418 -1.352 -14.132 1.00 21.42 H new ATOM 0 HG11 VAL A 13 19.213 -0.235 -12.872 1.00 73.55 H new ATOM 0 HG12 VAL A 13 17.939 -0.857 -11.796 1.00 73.55 H new ATOM 0 HG13 VAL A 13 19.484 -1.728 -11.942 1.00 73.55 H new ATOM 0 HG21 VAL A 13 19.722 -1.386 -14.999 1.00 23.53 H new ATOM 0 HG22 VAL A 13 20.012 -2.926 -14.157 1.00 23.53 H new ATOM 0 HG23 VAL A 13 18.816 -2.843 -15.472 1.00 23.53 H new ATOM 204 N TYR A 14 15.638 -3.353 -14.645 1.00 64.40 N ATOM 205 CA TYR A 14 14.843 -3.914 -15.731 1.00 11.41 C ATOM 206 C TYR A 14 14.715 -2.920 -16.882 1.00 4.04 C ATOM 207 O TYR A 14 13.914 -1.988 -16.824 1.00 41.15 O ATOM 208 CB TYR A 14 13.454 -4.305 -15.224 1.00 72.12 C ATOM 209 CG TYR A 14 13.119 -5.764 -15.441 1.00 51.52 C ATOM 210 CD1 TYR A 14 13.371 -6.380 -16.661 1.00 23.35 C ATOM 211 CD2 TYR A 14 12.549 -6.524 -14.428 1.00 22.31 C ATOM 212 CE1 TYR A 14 13.066 -7.712 -16.864 1.00 24.32 C ATOM 213 CE2 TYR A 14 12.242 -7.857 -14.622 1.00 24.23 C ATOM 214 CZ TYR A 14 12.503 -8.447 -15.841 1.00 54.43 C ATOM 215 OH TYR A 14 12.197 -9.774 -16.039 1.00 1.31 O ATOM 0 H TYR A 14 15.252 -2.502 -14.235 1.00 64.40 H new ATOM 0 HA TYR A 14 15.353 -4.805 -16.099 1.00 11.41 H new ATOM 0 HB2 TYR A 14 13.388 -4.080 -14.159 1.00 72.12 H new ATOM 0 HB3 TYR A 14 12.707 -3.691 -15.726 1.00 72.12 H new ATOM 0 HD1 TYR A 14 13.813 -5.808 -17.464 1.00 23.35 H new ATOM 0 HD2 TYR A 14 12.342 -6.065 -13.472 1.00 22.31 H new ATOM 0 HE1 TYR A 14 13.267 -8.176 -17.818 1.00 24.32 H new ATOM 0 HE2 TYR A 14 11.800 -8.434 -13.823 1.00 24.23 H new ATOM 0 HH TYR A 14 11.809 -10.146 -15.220 1.00 1.31 H new ATOM 225 N GLU A 15 15.512 -3.128 -17.926 1.00 12.05 N ATOM 226 CA GLU A 15 15.488 -2.251 -19.090 1.00 44.30 C ATOM 227 C GLU A 15 14.230 -2.484 -19.922 1.00 4.23 C ATOM 228 O GLU A 15 13.884 -3.622 -20.239 1.00 20.13 O ATOM 229 CB GLU A 15 16.732 -2.477 -19.952 1.00 22.30 C ATOM 230 CG GLU A 15 16.795 -3.860 -20.578 1.00 61.31 C ATOM 231 CD GLU A 15 18.103 -4.114 -21.303 1.00 12.24 C ATOM 232 OE1 GLU A 15 18.442 -3.326 -22.210 1.00 14.42 O ATOM 233 OE2 GLU A 15 18.788 -5.101 -20.962 1.00 35.15 O ATOM 0 H GLU A 15 16.181 -3.895 -17.989 1.00 12.05 H new ATOM 0 HA GLU A 15 15.482 -1.220 -18.736 1.00 44.30 H new ATOM 0 HB2 GLU A 15 16.757 -1.728 -20.743 1.00 22.30 H new ATOM 0 HB3 GLU A 15 17.621 -2.324 -19.340 1.00 22.30 H new ATOM 0 HG2 GLU A 15 16.663 -4.613 -19.801 1.00 61.31 H new ATOM 0 HG3 GLU A 15 15.968 -3.976 -21.278 1.00 61.31 H new ATOM 240 N CYS A 16 13.550 -1.397 -20.272 1.00 31.45 N ATOM 241 CA CYS A 16 12.330 -1.481 -21.065 1.00 72.21 C ATOM 242 C CYS A 16 12.602 -1.115 -22.521 1.00 71.34 C ATOM 243 O CYS A 16 13.753 -1.008 -22.941 1.00 4.43 O ATOM 244 CB CYS A 16 11.256 -0.557 -20.487 1.00 43.25 C ATOM 245 SG CYS A 16 9.668 -1.383 -20.148 1.00 5.44 S ATOM 0 H CYS A 16 13.824 -0.448 -20.019 1.00 31.45 H new ATOM 0 HA CYS A 16 11.972 -2.510 -21.028 1.00 72.21 H new ATOM 0 HB2 CYS A 16 11.629 -0.118 -19.562 1.00 43.25 H new ATOM 0 HB3 CYS A 16 11.085 0.264 -21.183 1.00 43.25 H new ATOM 250 N GLY A 17 11.532 -0.925 -23.288 1.00 2.11 N ATOM 251 CA GLY A 17 11.676 -0.573 -24.688 1.00 43.04 C ATOM 252 C GLY A 17 11.521 -1.770 -25.606 1.00 11.52 C ATOM 253 O GLY A 17 11.874 -1.707 -26.784 1.00 14.41 O ATOM 0 H GLY A 17 10.568 -1.009 -22.964 1.00 2.11 H new ATOM 0 HA2 GLY A 17 10.932 0.180 -24.949 1.00 43.04 H new ATOM 0 HA3 GLY A 17 12.655 -0.121 -24.847 1.00 43.04 H new ATOM 257 N ILE A 18 10.993 -2.863 -25.065 1.00 43.25 N ATOM 258 CA ILE A 18 10.793 -4.079 -25.844 1.00 10.31 C ATOM 259 C ILE A 18 9.357 -4.179 -26.347 1.00 41.24 C ATOM 260 O ILE A 18 9.096 -4.050 -27.544 1.00 11.41 O ATOM 261 CB ILE A 18 11.125 -5.336 -25.019 1.00 73.30 C ATOM 262 CG1 ILE A 18 12.569 -5.277 -24.516 1.00 54.22 C ATOM 263 CG2 ILE A 18 10.899 -6.590 -25.851 1.00 30.02 C ATOM 264 CD1 ILE A 18 12.699 -4.709 -23.120 1.00 63.22 C ATOM 0 H ILE A 18 10.696 -2.931 -24.092 1.00 43.25 H new ATOM 0 HA ILE A 18 11.471 -4.024 -26.696 1.00 10.31 H new ATOM 0 HB ILE A 18 10.461 -5.371 -24.155 1.00 73.30 H new ATOM 0 HG12 ILE A 18 12.992 -6.281 -24.532 1.00 54.22 H new ATOM 0 HG13 ILE A 18 13.160 -4.671 -25.203 1.00 54.22 H new ATOM 0 HG21 ILE A 18 11.138 -7.470 -25.254 1.00 30.02 H new ATOM 0 HG22 ILE A 18 9.856 -6.636 -26.164 1.00 30.02 H new ATOM 0 HG23 ILE A 18 11.541 -6.563 -26.731 1.00 30.02 H new ATOM 0 HD11 ILE A 18 13.749 -4.697 -22.828 1.00 63.22 H new ATOM 0 HD12 ILE A 18 12.306 -3.692 -23.103 1.00 63.22 H new ATOM 0 HD13 ILE A 18 12.136 -5.328 -22.422 1.00 63.22 H new ATOM 276 N THR A 19 8.427 -4.408 -25.425 1.00 60.35 N ATOM 277 CA THR A 19 7.017 -4.525 -25.775 1.00 31.12 C ATOM 278 C THR A 19 6.180 -3.484 -25.040 1.00 24.01 C ATOM 279 O THR A 19 4.952 -3.555 -25.034 1.00 12.53 O ATOM 280 CB THR A 19 6.472 -5.928 -25.449 1.00 73.40 C ATOM 281 OG1 THR A 19 7.397 -6.632 -24.613 1.00 45.30 O ATOM 282 CG2 THR A 19 6.226 -6.723 -26.723 1.00 3.21 C ATOM 0 H THR A 19 8.625 -4.516 -24.430 1.00 60.35 H new ATOM 0 HA THR A 19 6.943 -4.355 -26.849 1.00 31.12 H new ATOM 0 HB THR A 19 5.524 -5.811 -24.923 1.00 73.40 H new ATOM 0 HG1 THR A 19 6.916 -7.038 -23.862 1.00 45.30 H new ATOM 0 HG21 THR A 19 5.841 -7.710 -26.467 1.00 3.21 H new ATOM 0 HG22 THR A 19 5.499 -6.200 -27.344 1.00 3.21 H new ATOM 0 HG23 THR A 19 7.162 -6.829 -27.272 1.00 3.21 H new ATOM 290 N GLN A 20 6.854 -2.519 -24.422 1.00 40.14 N ATOM 291 CA GLN A 20 6.171 -1.463 -23.684 1.00 70.13 C ATOM 292 C GLN A 20 5.018 -2.031 -22.863 1.00 25.23 C ATOM 293 O GLN A 20 3.959 -1.414 -22.752 1.00 71.20 O ATOM 294 CB GLN A 20 5.649 -0.395 -24.647 1.00 11.24 C ATOM 295 CG GLN A 20 4.561 -0.898 -25.582 1.00 0.43 C ATOM 296 CD GLN A 20 3.768 0.229 -26.214 1.00 44.22 C ATOM 297 OE1 GLN A 20 4.330 1.248 -26.618 1.00 53.10 O ATOM 298 NE2 GLN A 20 2.455 0.052 -26.304 1.00 44.01 N ATOM 0 H GLN A 20 7.871 -2.447 -24.418 1.00 40.14 H new ATOM 0 HA GLN A 20 6.889 -1.008 -23.002 1.00 70.13 H new ATOM 0 HB2 GLN A 20 5.261 0.444 -24.070 1.00 11.24 H new ATOM 0 HB3 GLN A 20 6.480 -0.016 -25.241 1.00 11.24 H new ATOM 0 HG2 GLN A 20 5.013 -1.504 -26.367 1.00 0.43 H new ATOM 0 HG3 GLN A 20 3.883 -1.548 -25.028 1.00 0.43 H new ATOM 0 HE21 GLN A 20 2.031 -0.808 -25.956 1.00 44.01 H new ATOM 0 HE22 GLN A 20 1.870 0.776 -26.721 1.00 44.01 H new ATOM 307 N ASP A 21 5.232 -3.210 -22.289 1.00 64.11 N ATOM 308 CA ASP A 21 4.211 -3.862 -21.477 1.00 5.43 C ATOM 309 C ASP A 21 4.540 -3.742 -19.992 1.00 25.01 C ATOM 310 O ASP A 21 4.187 -4.611 -19.195 1.00 35.24 O ATOM 311 CB ASP A 21 4.083 -5.335 -21.866 1.00 71.12 C ATOM 312 CG ASP A 21 5.430 -6.005 -22.050 1.00 25.13 C ATOM 313 OD1 ASP A 21 6.408 -5.553 -21.418 1.00 61.30 O ATOM 314 OD2 ASP A 21 5.508 -6.981 -22.826 1.00 14.22 O ATOM 0 H ASP A 21 6.103 -3.734 -22.371 1.00 64.11 H new ATOM 0 HA ASP A 21 3.260 -3.362 -21.662 1.00 5.43 H new ATOM 0 HB2 ASP A 21 3.520 -5.863 -21.097 1.00 71.12 H new ATOM 0 HB3 ASP A 21 3.511 -5.415 -22.791 1.00 71.12 H new ATOM 319 N CYS A 22 5.221 -2.660 -19.627 1.00 73.41 N ATOM 320 CA CYS A 22 5.600 -2.427 -18.239 1.00 15.21 C ATOM 321 C CYS A 22 4.378 -2.478 -17.326 1.00 20.13 C ATOM 322 O CYS A 22 4.376 -3.177 -16.313 1.00 43.03 O ATOM 323 CB CYS A 22 6.297 -1.072 -18.100 1.00 24.32 C ATOM 324 SG CYS A 22 8.116 -1.172 -18.077 1.00 42.10 S ATOM 0 H CYS A 22 5.521 -1.931 -20.274 1.00 73.41 H new ATOM 0 HA CYS A 22 6.290 -3.216 -17.939 1.00 15.21 H new ATOM 0 HB2 CYS A 22 5.989 -0.430 -18.926 1.00 24.32 H new ATOM 0 HB3 CYS A 22 5.958 -0.593 -17.181 1.00 24.32 H new ATOM 329 N ASN A 23 3.340 -1.733 -17.692 1.00 44.31 N ATOM 330 CA ASN A 23 2.113 -1.693 -16.906 1.00 55.22 C ATOM 331 C ASN A 23 1.588 -3.101 -16.644 1.00 63.42 C ATOM 332 O ASN A 23 1.086 -3.397 -15.560 1.00 33.31 O ATOM 333 CB ASN A 23 1.047 -0.866 -17.629 1.00 32.15 C ATOM 334 CG ASN A 23 0.173 -0.083 -16.668 1.00 3.42 C ATOM 335 OD1 ASN A 23 -0.104 1.097 -16.884 1.00 43.24 O ATOM 336 ND2 ASN A 23 -0.265 -0.737 -15.599 1.00 21.33 N ATOM 0 H ASN A 23 3.324 -1.149 -18.528 1.00 44.31 H new ATOM 0 HA ASN A 23 2.340 -1.225 -15.948 1.00 55.22 H new ATOM 0 HB2 ASN A 23 1.532 -0.176 -18.319 1.00 32.15 H new ATOM 0 HB3 ASN A 23 0.421 -1.528 -18.228 1.00 32.15 H new ATOM 0 HD21 ASN A 23 -0.856 -0.262 -14.917 1.00 21.33 H new ATOM 0 HD22 ASN A 23 -0.011 -1.715 -15.460 1.00 21.33 H new ATOM 343 N LYS A 24 1.710 -3.967 -17.645 1.00 34.45 N ATOM 344 CA LYS A 24 1.250 -5.346 -17.524 1.00 25.05 C ATOM 345 C LYS A 24 2.109 -6.120 -16.529 1.00 23.24 C ATOM 346 O LYS A 24 1.593 -6.736 -15.595 1.00 3.43 O ATOM 347 CB LYS A 24 1.283 -6.038 -18.888 1.00 43.22 C ATOM 348 CG LYS A 24 0.217 -7.107 -19.054 1.00 41.21 C ATOM 349 CD LYS A 24 -0.963 -6.596 -19.864 1.00 31.43 C ATOM 350 CE LYS A 24 -1.737 -7.740 -20.502 1.00 52.50 C ATOM 351 NZ LYS A 24 -2.522 -7.286 -21.684 1.00 24.41 N ATOM 0 H LYS A 24 2.123 -3.738 -18.549 1.00 34.45 H new ATOM 0 HA LYS A 24 0.224 -5.330 -17.157 1.00 25.05 H new ATOM 0 HB2 LYS A 24 1.159 -5.288 -19.669 1.00 43.22 H new ATOM 0 HB3 LYS A 24 2.264 -6.490 -19.033 1.00 43.22 H new ATOM 0 HG2 LYS A 24 0.648 -7.978 -19.547 1.00 41.21 H new ATOM 0 HG3 LYS A 24 -0.128 -7.434 -18.073 1.00 41.21 H new ATOM 0 HD2 LYS A 24 -1.627 -6.021 -19.219 1.00 31.43 H new ATOM 0 HD3 LYS A 24 -0.607 -5.918 -20.640 1.00 31.43 H new ATOM 0 HE2 LYS A 24 -1.043 -8.523 -20.806 1.00 52.50 H new ATOM 0 HE3 LYS A 24 -2.410 -8.179 -19.765 1.00 52.50 H new ATOM 0 HZ1 LYS A 24 -3.035 -8.094 -22.091 1.00 24.41 H new ATOM 0 HZ2 LYS A 24 -3.202 -6.556 -21.390 1.00 24.41 H new ATOM 0 HZ3 LYS A 24 -1.877 -6.890 -22.398 1.00 24.41 H new ATOM 365 N LEU A 25 3.421 -6.084 -16.733 1.00 63.33 N ATOM 366 CA LEU A 25 4.352 -6.781 -15.853 1.00 24.51 C ATOM 367 C LEU A 25 4.203 -6.302 -14.413 1.00 0.33 C ATOM 368 O LEU A 25 4.154 -7.105 -13.481 1.00 73.51 O ATOM 369 CB LEU A 25 5.791 -6.568 -16.327 1.00 51.51 C ATOM 370 CG LEU A 25 6.842 -7.502 -15.727 1.00 34.31 C ATOM 371 CD1 LEU A 25 6.913 -8.801 -16.515 1.00 21.01 C ATOM 372 CD2 LEU A 25 8.202 -6.822 -15.691 1.00 64.33 C ATOM 0 H LEU A 25 3.864 -5.579 -17.501 1.00 63.33 H new ATOM 0 HA LEU A 25 4.118 -7.845 -15.889 1.00 24.51 H new ATOM 0 HB2 LEU A 25 5.815 -6.676 -17.411 1.00 51.51 H new ATOM 0 HB3 LEU A 25 6.077 -5.540 -16.103 1.00 51.51 H new ATOM 0 HG LEU A 25 6.550 -7.737 -14.704 1.00 34.31 H new ATOM 0 HD11 LEU A 25 7.666 -9.454 -16.074 1.00 21.01 H new ATOM 0 HD12 LEU A 25 5.943 -9.297 -16.488 1.00 21.01 H new ATOM 0 HD13 LEU A 25 7.181 -8.585 -17.549 1.00 21.01 H new ATOM 0 HD21 LEU A 25 8.937 -7.502 -15.261 1.00 64.33 H new ATOM 0 HD22 LEU A 25 8.503 -6.556 -16.704 1.00 64.33 H new ATOM 0 HD23 LEU A 25 8.142 -5.920 -15.082 1.00 64.33 H new ATOM 384 N CYS A 26 4.129 -4.987 -14.237 1.00 43.43 N ATOM 385 CA CYS A 26 3.983 -4.398 -12.911 1.00 65.44 C ATOM 386 C CYS A 26 2.691 -4.865 -12.249 1.00 15.04 C ATOM 387 O CYS A 26 2.694 -5.318 -11.103 1.00 44.23 O ATOM 388 CB CYS A 26 4.000 -2.871 -13.003 1.00 61.33 C ATOM 389 SG CYS A 26 5.661 -2.136 -12.864 1.00 20.12 S ATOM 0 H CYS A 26 4.168 -4.308 -14.997 1.00 43.43 H new ATOM 0 HA CYS A 26 4.823 -4.727 -12.300 1.00 65.44 H new ATOM 0 HB2 CYS A 26 3.560 -2.570 -13.954 1.00 61.33 H new ATOM 0 HB3 CYS A 26 3.367 -2.463 -12.215 1.00 61.33 H new ATOM 394 N THR A 27 1.584 -4.752 -12.977 1.00 1.40 N ATOM 395 CA THR A 27 0.284 -5.160 -12.461 1.00 30.32 C ATOM 396 C THR A 27 0.276 -6.642 -12.102 1.00 52.11 C ATOM 397 O THR A 27 -0.103 -7.019 -10.994 1.00 10.12 O ATOM 398 CB THR A 27 -0.837 -4.884 -13.480 1.00 73.43 C ATOM 399 OG1 THR A 27 -0.445 -5.348 -14.777 1.00 34.50 O ATOM 400 CG2 THR A 27 -1.158 -3.399 -13.543 1.00 42.43 C ATOM 0 H THR A 27 1.563 -4.381 -13.927 1.00 1.40 H new ATOM 0 HA THR A 27 0.101 -4.570 -11.563 1.00 30.32 H new ATOM 0 HB THR A 27 -1.730 -5.419 -13.158 1.00 73.43 H new ATOM 0 HG1 THR A 27 -0.147 -4.588 -15.320 1.00 34.50 H new ATOM 0 HG21 THR A 27 -1.953 -3.229 -14.270 1.00 42.43 H new ATOM 0 HG22 THR A 27 -1.484 -3.055 -12.561 1.00 42.43 H new ATOM 0 HG23 THR A 27 -0.268 -2.847 -13.843 1.00 42.43 H new ATOM 408 N GLU A 28 0.697 -7.477 -13.047 1.00 32.12 N ATOM 409 CA GLU A 28 0.737 -8.918 -12.829 1.00 22.34 C ATOM 410 C GLU A 28 1.562 -9.258 -11.591 1.00 24.23 C ATOM 411 O GLU A 28 1.192 -10.129 -10.805 1.00 31.20 O ATOM 412 CB GLU A 28 1.320 -9.626 -14.054 1.00 2.14 C ATOM 413 CG GLU A 28 0.329 -10.534 -14.761 1.00 33.41 C ATOM 414 CD GLU A 28 0.075 -11.823 -14.003 1.00 52.01 C ATOM 415 OE1 GLU A 28 1.001 -12.656 -13.921 1.00 22.10 O ATOM 416 OE2 GLU A 28 -1.051 -11.998 -13.492 1.00 12.33 O ATOM 0 H GLU A 28 1.015 -7.181 -13.970 1.00 32.12 H new ATOM 0 HA GLU A 28 -0.284 -9.264 -12.670 1.00 22.34 H new ATOM 0 HB2 GLU A 28 1.680 -8.877 -14.759 1.00 2.14 H new ATOM 0 HB3 GLU A 28 2.184 -10.215 -13.746 1.00 2.14 H new ATOM 0 HG2 GLU A 28 -0.614 -10.003 -14.894 1.00 33.41 H new ATOM 0 HG3 GLU A 28 0.705 -10.770 -15.757 1.00 33.41 H new ATOM 423 N ASN A 29 2.683 -8.564 -11.425 1.00 45.22 N ATOM 424 CA ASN A 29 3.563 -8.792 -10.284 1.00 75.21 C ATOM 425 C ASN A 29 2.824 -8.548 -8.971 1.00 64.03 C ATOM 426 O ASN A 29 3.180 -9.106 -7.934 1.00 1.40 O ATOM 427 CB ASN A 29 4.790 -7.882 -10.369 1.00 33.40 C ATOM 428 CG ASN A 29 6.027 -8.623 -10.838 1.00 41.04 C ATOM 429 OD1 ASN A 29 6.857 -9.042 -10.031 1.00 74.52 O ATOM 430 ND2 ASN A 29 6.157 -8.787 -12.150 1.00 15.32 N ATOM 0 H ASN A 29 3.004 -7.839 -12.066 1.00 45.22 H new ATOM 0 HA ASN A 29 3.889 -9.832 -10.310 1.00 75.21 H new ATOM 0 HB2 ASN A 29 4.582 -7.059 -11.052 1.00 33.40 H new ATOM 0 HB3 ASN A 29 4.982 -7.443 -9.390 1.00 33.40 H new ATOM 0 HD21 ASN A 29 6.969 -9.277 -12.525 1.00 15.32 H new ATOM 0 HD22 ASN A 29 5.444 -8.423 -12.783 1.00 15.32 H new ATOM 437 N GLY A 30 1.793 -7.710 -9.025 1.00 61.43 N ATOM 438 CA GLY A 30 1.021 -7.407 -7.835 1.00 34.32 C ATOM 439 C GLY A 30 0.979 -5.922 -7.533 1.00 61.31 C ATOM 440 O GLY A 30 0.469 -5.508 -6.493 1.00 53.40 O ATOM 0 H GLY A 30 1.479 -7.236 -9.872 1.00 61.43 H new ATOM 0 HA2 GLY A 30 0.004 -7.778 -7.962 1.00 34.32 H new ATOM 0 HA3 GLY A 30 1.449 -7.936 -6.983 1.00 34.32 H new ATOM 444 N ALA A 31 1.519 -5.120 -8.444 1.00 43.32 N ATOM 445 CA ALA A 31 1.541 -3.673 -8.271 1.00 5.45 C ATOM 446 C ALA A 31 0.257 -3.037 -8.792 1.00 61.33 C ATOM 447 O ALA A 31 -0.487 -3.656 -9.552 1.00 50.35 O ATOM 448 CB ALA A 31 2.751 -3.075 -8.973 1.00 64.24 C ATOM 0 H ALA A 31 1.947 -5.448 -9.310 1.00 43.32 H new ATOM 0 HA ALA A 31 1.613 -3.462 -7.204 1.00 5.45 H new ATOM 0 HB1 ALA A 31 2.754 -1.994 -8.835 1.00 64.24 H new ATOM 0 HB2 ALA A 31 3.663 -3.497 -8.550 1.00 64.24 H new ATOM 0 HB3 ALA A 31 2.705 -3.305 -10.037 1.00 64.24 H new ATOM 454 N GLU A 32 0.004 -1.800 -8.378 1.00 13.20 N ATOM 455 CA GLU A 32 -1.192 -1.082 -8.803 1.00 74.54 C ATOM 456 C GLU A 32 -1.081 -0.658 -10.265 1.00 34.00 C ATOM 457 O GLU A 32 -2.036 -0.782 -11.033 1.00 4.14 O ATOM 458 CB GLU A 32 -1.419 0.146 -7.920 1.00 5.21 C ATOM 459 CG GLU A 32 -2.827 0.709 -8.009 1.00 41.44 C ATOM 460 CD GLU A 32 -2.849 2.156 -8.464 1.00 60.22 C ATOM 461 OE1 GLU A 32 -2.476 3.036 -7.660 1.00 62.40 O ATOM 462 OE2 GLU A 32 -3.239 2.408 -9.623 1.00 54.10 O ATOM 0 H GLU A 32 0.611 -1.274 -7.749 1.00 13.20 H new ATOM 0 HA GLU A 32 -2.043 -1.755 -8.701 1.00 74.54 H new ATOM 0 HB2 GLU A 32 -1.207 -0.118 -6.884 1.00 5.21 H new ATOM 0 HB3 GLU A 32 -0.708 0.922 -8.203 1.00 5.21 H new ATOM 0 HG2 GLU A 32 -3.413 0.105 -8.702 1.00 41.44 H new ATOM 0 HG3 GLU A 32 -3.308 0.631 -7.034 1.00 41.44 H new ATOM 469 N SER A 33 0.090 -0.156 -10.642 1.00 24.40 N ATOM 470 CA SER A 33 0.326 0.291 -12.010 1.00 30.22 C ATOM 471 C SER A 33 1.819 0.312 -12.325 1.00 74.51 C ATOM 472 O SER A 33 2.638 -0.150 -11.532 1.00 45.33 O ATOM 473 CB SER A 33 -0.271 1.683 -12.224 1.00 34.14 C ATOM 474 OG SER A 33 -1.178 1.687 -13.313 1.00 2.11 O ATOM 0 H SER A 33 0.891 -0.048 -10.019 1.00 24.40 H new ATOM 0 HA SER A 33 -0.160 -0.413 -12.685 1.00 30.22 H new ATOM 0 HB2 SER A 33 -0.784 2.005 -11.318 1.00 34.14 H new ATOM 0 HB3 SER A 33 0.528 2.400 -12.410 1.00 34.14 H new ATOM 0 HG SER A 33 -1.547 2.588 -13.428 1.00 2.11 H new ATOM 480 N GLY A 34 2.164 0.851 -13.491 1.00 35.35 N ATOM 481 CA GLY A 34 3.556 0.922 -13.892 1.00 4.14 C ATOM 482 C GLY A 34 3.720 1.266 -15.359 1.00 25.22 C ATOM 483 O GLY A 34 2.752 1.252 -16.119 1.00 12.33 O ATOM 0 H GLY A 34 1.504 1.239 -14.164 1.00 35.35 H new ATOM 0 HA2 GLY A 34 4.067 1.671 -13.287 1.00 4.14 H new ATOM 0 HA3 GLY A 34 4.038 -0.034 -13.690 1.00 4.14 H new ATOM 487 N TYR A 35 4.949 1.576 -15.758 1.00 53.11 N ATOM 488 CA TYR A 35 5.236 1.929 -17.143 1.00 54.24 C ATOM 489 C TYR A 35 6.738 1.917 -17.409 1.00 31.21 C ATOM 490 O TYR A 35 7.542 1.757 -16.490 1.00 13.03 O ATOM 491 CB TYR A 35 4.660 3.308 -17.470 1.00 1.31 C ATOM 492 CG TYR A 35 4.839 4.318 -16.358 1.00 74.43 C ATOM 493 CD1 TYR A 35 6.106 4.670 -15.911 1.00 11.33 C ATOM 494 CD2 TYR A 35 3.740 4.918 -15.755 1.00 24.41 C ATOM 495 CE1 TYR A 35 6.274 5.591 -14.895 1.00 0.41 C ATOM 496 CE2 TYR A 35 3.899 5.841 -14.740 1.00 20.24 C ATOM 497 CZ TYR A 35 5.168 6.174 -14.313 1.00 14.21 C ATOM 498 OH TYR A 35 5.330 7.092 -13.301 1.00 12.22 O ATOM 0 H TYR A 35 5.762 1.590 -15.142 1.00 53.11 H new ATOM 0 HA TYR A 35 4.766 1.184 -17.785 1.00 54.24 H new ATOM 0 HB2 TYR A 35 5.137 3.687 -18.374 1.00 1.31 H new ATOM 0 HB3 TYR A 35 3.597 3.206 -17.689 1.00 1.31 H new ATOM 0 HD1 TYR A 35 6.974 4.216 -16.365 1.00 11.33 H new ATOM 0 HD2 TYR A 35 2.745 4.658 -16.086 1.00 24.41 H new ATOM 0 HE1 TYR A 35 7.266 5.853 -14.558 1.00 0.41 H new ATOM 0 HE2 TYR A 35 3.035 6.300 -14.283 1.00 20.24 H new ATOM 0 HH TYR A 35 5.750 6.658 -12.529 1.00 12.22 H new ATOM 508 N CYS A 36 7.110 2.087 -18.673 1.00 41.40 N ATOM 509 CA CYS A 36 8.515 2.097 -19.063 1.00 31.45 C ATOM 510 C CYS A 36 9.095 3.505 -18.974 1.00 54.45 C ATOM 511 O CYS A 36 8.787 4.366 -19.799 1.00 32.14 O ATOM 512 CB CYS A 36 8.675 1.555 -20.485 1.00 0.34 C ATOM 513 SG CYS A 36 8.180 -0.187 -20.677 1.00 75.11 S ATOM 0 H CYS A 36 6.457 2.220 -19.446 1.00 41.40 H new ATOM 0 HA CYS A 36 9.062 1.455 -18.373 1.00 31.45 H new ATOM 0 HB2 CYS A 36 8.082 2.167 -21.164 1.00 0.34 H new ATOM 0 HB3 CYS A 36 9.717 1.661 -20.788 1.00 0.34 H new ATOM 518 N GLN A 37 9.935 3.732 -17.970 1.00 31.22 N ATOM 519 CA GLN A 37 10.557 5.036 -17.774 1.00 61.21 C ATOM 520 C GLN A 37 11.852 5.146 -18.572 1.00 2.31 C ATOM 521 O GLN A 37 12.946 5.048 -18.015 1.00 74.42 O ATOM 522 CB GLN A 37 10.837 5.273 -16.289 1.00 41.11 C ATOM 523 CG GLN A 37 10.879 6.743 -15.905 1.00 53.42 C ATOM 524 CD GLN A 37 9.822 7.109 -14.881 1.00 45.22 C ATOM 525 OE1 GLN A 37 8.885 7.851 -15.177 1.00 2.11 O ATOM 526 NE2 GLN A 37 9.968 6.589 -13.668 1.00 44.21 N ATOM 0 H GLN A 37 10.201 3.030 -17.279 1.00 31.22 H new ATOM 0 HA GLN A 37 9.865 5.798 -18.132 1.00 61.21 H new ATOM 0 HB2 GLN A 37 10.069 4.774 -15.699 1.00 41.11 H new ATOM 0 HB3 GLN A 37 11.789 4.811 -16.029 1.00 41.11 H new ATOM 0 HG2 GLN A 37 11.865 6.982 -15.506 1.00 53.42 H new ATOM 0 HG3 GLN A 37 10.740 7.352 -16.798 1.00 53.42 H new ATOM 0 HE21 GLN A 37 10.760 5.979 -13.467 1.00 44.21 H new ATOM 0 HE22 GLN A 37 9.288 6.800 -12.938 1.00 44.21 H new ATOM 535 N TRP A 38 11.721 5.351 -19.877 1.00 51.15 N ATOM 536 CA TRP A 38 12.882 5.475 -20.752 1.00 73.50 C ATOM 537 C TRP A 38 13.706 6.706 -20.392 1.00 61.50 C ATOM 538 O TRP A 38 14.855 6.840 -20.812 1.00 33.53 O ATOM 539 CB TRP A 38 12.439 5.552 -22.214 1.00 35.11 C ATOM 540 CG TRP A 38 12.656 4.276 -22.969 1.00 22.51 C ATOM 541 CD1 TRP A 38 12.726 3.016 -22.446 1.00 63.21 C ATOM 542 CD2 TRP A 38 12.834 4.136 -24.383 1.00 31.23 C ATOM 543 NE1 TRP A 38 12.937 2.101 -23.450 1.00 11.32 N ATOM 544 CE2 TRP A 38 13.006 2.763 -24.647 1.00 72.12 C ATOM 545 CE3 TRP A 38 12.862 5.036 -25.451 1.00 5.21 C ATOM 546 CZ2 TRP A 38 13.204 2.273 -25.935 1.00 63.41 C ATOM 547 CZ3 TRP A 38 13.060 4.548 -26.728 1.00 70.05 C ATOM 548 CH2 TRP A 38 13.228 3.177 -26.962 1.00 70.41 C ATOM 0 H TRP A 38 10.823 5.435 -20.353 1.00 51.15 H new ATOM 0 HA TRP A 38 13.505 4.591 -20.615 1.00 73.50 H new ATOM 0 HB2 TRP A 38 11.381 5.813 -22.252 1.00 35.11 H new ATOM 0 HB3 TRP A 38 12.984 6.356 -22.709 1.00 35.11 H new ATOM 0 HD1 TRP A 38 12.630 2.774 -21.398 1.00 63.21 H new ATOM 0 HE1 TRP A 38 13.027 1.093 -23.324 1.00 11.32 H new ATOM 0 HE3 TRP A 38 12.731 6.095 -25.281 1.00 5.21 H new ATOM 0 HZ2 TRP A 38 13.334 1.216 -26.117 1.00 63.41 H new ATOM 0 HZ3 TRP A 38 13.086 5.235 -27.561 1.00 70.05 H new ATOM 0 HH2 TRP A 38 13.379 2.827 -27.972 1.00 70.41 H new ATOM 559 N GLY A 39 13.112 7.603 -19.611 1.00 51.13 N ATOM 560 CA GLY A 39 13.807 8.812 -19.208 1.00 61.43 C ATOM 561 C GLY A 39 13.763 9.033 -17.709 1.00 40.34 C ATOM 562 O GLY A 39 12.894 9.743 -17.205 1.00 72.11 O ATOM 0 H GLY A 39 12.162 7.514 -19.250 1.00 51.13 H new ATOM 0 HA2 GLY A 39 14.846 8.756 -19.534 1.00 61.43 H new ATOM 0 HA3 GLY A 39 13.361 9.669 -19.712 1.00 61.43 H new ATOM 566 N GLY A 40 14.703 8.423 -16.994 1.00 61.43 N ATOM 567 CA GLY A 40 14.749 8.568 -15.551 1.00 71.11 C ATOM 568 C GLY A 40 16.039 8.040 -14.956 1.00 2.10 C ATOM 569 O GLY A 40 17.095 8.103 -15.587 1.00 34.01 O ATOM 0 H GLY A 40 15.434 7.831 -17.389 1.00 61.43 H new ATOM 0 HA2 GLY A 40 14.637 9.621 -15.291 1.00 71.11 H new ATOM 0 HA3 GLY A 40 13.905 8.039 -15.109 1.00 71.11 H new ATOM 573 N LYS A 41 15.957 7.519 -13.736 1.00 52.24 N ATOM 574 CA LYS A 41 17.126 6.978 -13.054 1.00 44.42 C ATOM 575 C LYS A 41 17.867 5.988 -13.947 1.00 24.01 C ATOM 576 O LYS A 41 17.255 5.119 -14.568 1.00 40.34 O ATOM 577 CB LYS A 41 16.711 6.294 -11.750 1.00 73.32 C ATOM 578 CG LYS A 41 17.608 6.632 -10.572 1.00 41.25 C ATOM 579 CD LYS A 41 17.309 8.017 -10.023 1.00 53.03 C ATOM 580 CE LYS A 41 18.505 8.593 -9.281 1.00 70.21 C ATOM 581 NZ LYS A 41 18.122 9.748 -8.424 1.00 11.55 N ATOM 0 H LYS A 41 15.092 7.460 -13.199 1.00 52.24 H new ATOM 0 HA LYS A 41 17.797 7.806 -12.824 1.00 44.42 H new ATOM 0 HB2 LYS A 41 15.687 6.580 -11.510 1.00 73.32 H new ATOM 0 HB3 LYS A 41 16.714 5.214 -11.899 1.00 73.32 H new ATOM 0 HG2 LYS A 41 17.471 5.890 -9.785 1.00 41.25 H new ATOM 0 HG3 LYS A 41 18.652 6.580 -10.882 1.00 41.25 H new ATOM 0 HD2 LYS A 41 17.033 8.682 -10.841 1.00 53.03 H new ATOM 0 HD3 LYS A 41 16.453 7.966 -9.351 1.00 53.03 H new ATOM 0 HE2 LYS A 41 18.957 7.817 -8.664 1.00 70.21 H new ATOM 0 HE3 LYS A 41 19.261 8.909 -10.000 1.00 70.21 H new ATOM 0 HZ1 LYS A 41 18.965 10.112 -7.935 1.00 11.55 H new ATOM 0 HZ2 LYS A 41 17.713 10.499 -9.016 1.00 11.55 H new ATOM 0 HZ3 LYS A 41 17.420 9.441 -7.721 1.00 11.55 H new ATOM 595 N TYR A 42 19.187 6.124 -14.005 1.00 25.34 N ATOM 596 CA TYR A 42 20.011 5.241 -14.822 1.00 45.20 C ATOM 597 C TYR A 42 19.489 5.180 -16.254 1.00 45.23 C ATOM 598 O TYR A 42 19.657 4.177 -16.946 1.00 35.31 O ATOM 599 CB TYR A 42 20.044 3.836 -14.219 1.00 30.20 C ATOM 600 CG TYR A 42 20.267 3.824 -12.723 1.00 75.45 C ATOM 601 CD1 TYR A 42 21.469 4.256 -12.177 1.00 14.31 C ATOM 602 CD2 TYR A 42 19.276 3.379 -11.857 1.00 73.32 C ATOM 603 CE1 TYR A 42 21.677 4.246 -10.811 1.00 51.32 C ATOM 604 CE2 TYR A 42 19.475 3.367 -10.490 1.00 74.43 C ATOM 605 CZ TYR A 42 20.677 3.801 -9.972 1.00 52.11 C ATOM 606 OH TYR A 42 20.879 3.789 -8.611 1.00 43.31 O ATOM 0 H TYR A 42 19.709 6.837 -13.496 1.00 25.34 H new ATOM 0 HA TYR A 42 21.023 5.645 -14.840 1.00 45.20 H new ATOM 0 HB2 TYR A 42 19.104 3.332 -14.442 1.00 30.20 H new ATOM 0 HB3 TYR A 42 20.835 3.262 -14.700 1.00 30.20 H new ATOM 0 HD1 TYR A 42 22.254 4.606 -12.831 1.00 14.31 H new ATOM 0 HD2 TYR A 42 18.334 3.037 -12.259 1.00 73.32 H new ATOM 0 HE1 TYR A 42 22.618 4.585 -10.403 1.00 51.32 H new ATOM 0 HE2 TYR A 42 18.693 3.020 -9.831 1.00 74.43 H new ATOM 0 HH TYR A 42 20.076 3.448 -8.164 1.00 43.31 H new ATOM 616 N GLY A 43 18.856 6.264 -16.693 1.00 70.11 N ATOM 617 CA GLY A 43 18.319 6.315 -18.040 1.00 61.34 C ATOM 618 C GLY A 43 16.983 5.608 -18.159 1.00 44.02 C ATOM 619 O GLY A 43 16.024 5.961 -17.475 1.00 10.01 O ATOM 0 H GLY A 43 18.706 7.108 -16.140 1.00 70.11 H new ATOM 0 HA2 GLY A 43 18.204 7.356 -18.343 1.00 61.34 H new ATOM 0 HA3 GLY A 43 19.030 5.859 -18.729 1.00 61.34 H new ATOM 623 N ASN A 44 16.920 4.608 -19.032 1.00 65.31 N ATOM 624 CA ASN A 44 15.691 3.851 -19.240 1.00 62.01 C ATOM 625 C ASN A 44 15.531 2.770 -18.175 1.00 53.41 C ATOM 626 O ASN A 44 16.457 2.006 -17.907 1.00 5.51 O ATOM 627 CB ASN A 44 15.688 3.215 -20.632 1.00 3.51 C ATOM 628 CG ASN A 44 16.949 2.419 -20.907 1.00 4.24 C ATOM 629 OD1 ASN A 44 17.159 1.350 -20.333 1.00 2.31 O ATOM 630 ND2 ASN A 44 17.796 2.938 -21.788 1.00 5.33 N ATOM 0 H ASN A 44 17.706 4.303 -19.607 1.00 65.31 H new ATOM 0 HA ASN A 44 14.851 4.541 -19.161 1.00 62.01 H new ATOM 0 HB2 ASN A 44 14.821 2.561 -20.728 1.00 3.51 H new ATOM 0 HB3 ASN A 44 15.583 3.996 -21.385 1.00 3.51 H new ATOM 0 HD21 ASN A 44 18.662 2.448 -22.013 1.00 5.33 H new ATOM 0 HD22 ASN A 44 17.581 3.827 -22.240 1.00 5.33 H new ATOM 637 N ALA A 45 14.348 2.713 -17.572 1.00 31.11 N ATOM 638 CA ALA A 45 14.065 1.725 -16.538 1.00 73.24 C ATOM 639 C ALA A 45 12.563 1.567 -16.326 1.00 51.51 C ATOM 640 O ALA A 45 11.816 2.546 -16.354 1.00 33.23 O ATOM 641 CB ALA A 45 14.746 2.114 -15.235 1.00 0.41 C ATOM 0 H ALA A 45 13.571 3.339 -17.782 1.00 31.11 H new ATOM 0 HA ALA A 45 14.462 0.765 -16.869 1.00 73.24 H new ATOM 0 HB1 ALA A 45 14.526 1.367 -14.472 1.00 0.41 H new ATOM 0 HB2 ALA A 45 15.824 2.168 -15.390 1.00 0.41 H new ATOM 0 HB3 ALA A 45 14.377 3.086 -14.908 1.00 0.41 H new ATOM 647 N CYS A 46 12.126 0.330 -16.115 1.00 3.31 N ATOM 648 CA CYS A 46 10.713 0.044 -15.899 1.00 63.10 C ATOM 649 C CYS A 46 10.265 0.525 -14.522 1.00 30.10 C ATOM 650 O CYS A 46 10.671 -0.026 -13.499 1.00 13.14 O ATOM 651 CB CYS A 46 10.448 -1.457 -16.038 1.00 44.54 C ATOM 652 SG CYS A 46 8.697 -1.881 -16.303 1.00 52.12 S ATOM 0 H CYS A 46 12.731 -0.491 -16.089 1.00 3.31 H new ATOM 0 HA CYS A 46 10.140 0.579 -16.656 1.00 63.10 H new ATOM 0 HB2 CYS A 46 11.034 -1.843 -16.872 1.00 44.54 H new ATOM 0 HB3 CYS A 46 10.801 -1.962 -15.139 1.00 44.54 H new ATOM 657 N TRP A 47 9.426 1.554 -14.506 1.00 3.54 N ATOM 658 CA TRP A 47 8.922 2.110 -13.255 1.00 24.35 C ATOM 659 C TRP A 47 7.659 1.383 -12.806 1.00 41.23 C ATOM 660 O TRP A 47 6.891 0.886 -13.631 1.00 3.14 O ATOM 661 CB TRP A 47 8.637 3.604 -13.414 1.00 71.12 C ATOM 662 CG TRP A 47 7.981 4.215 -12.213 1.00 71.11 C ATOM 663 CD1 TRP A 47 6.640 4.330 -11.981 1.00 71.42 C ATOM 664 CD2 TRP A 47 8.637 4.796 -11.081 1.00 40.52 C ATOM 665 NE1 TRP A 47 6.423 4.948 -10.773 1.00 71.52 N ATOM 666 CE2 TRP A 47 7.632 5.243 -10.201 1.00 51.11 C ATOM 667 CE3 TRP A 47 9.975 4.982 -10.724 1.00 64.55 C ATOM 668 CZ2 TRP A 47 7.926 5.863 -8.990 1.00 15.34 C ATOM 669 CZ3 TRP A 47 10.265 5.597 -9.522 1.00 1.51 C ATOM 670 CH2 TRP A 47 9.244 6.032 -8.666 1.00 24.42 C ATOM 0 H TRP A 47 9.080 2.020 -15.345 1.00 3.54 H new ATOM 0 HA TRP A 47 9.688 1.974 -12.491 1.00 24.35 H new ATOM 0 HB2 TRP A 47 9.573 4.126 -13.613 1.00 71.12 H new ATOM 0 HB3 TRP A 47 7.998 3.754 -14.284 1.00 71.12 H new ATOM 0 HD1 TRP A 47 5.864 3.986 -12.649 1.00 71.42 H new ATOM 0 HE1 TRP A 47 5.510 5.154 -10.368 1.00 71.52 H new ATOM 0 HE3 TRP A 47 10.769 4.650 -11.377 1.00 64.55 H new ATOM 0 HZ2 TRP A 47 7.141 6.199 -8.329 1.00 15.34 H new ATOM 0 HZ3 TRP A 47 11.296 5.745 -9.237 1.00 1.51 H new ATOM 0 HH2 TRP A 47 9.503 6.510 -7.733 1.00 24.42 H new ATOM 681 N CYS A 48 7.449 1.325 -11.496 1.00 13.05 N ATOM 682 CA CYS A 48 6.278 0.659 -10.937 1.00 62.03 C ATOM 683 C CYS A 48 5.539 1.578 -9.969 1.00 43.41 C ATOM 684 O CYS A 48 6.158 2.352 -9.237 1.00 71.42 O ATOM 685 CB CYS A 48 6.691 -0.628 -10.221 1.00 22.22 C ATOM 686 SG CYS A 48 6.025 -2.146 -10.976 1.00 60.21 S ATOM 0 H CYS A 48 8.075 1.731 -10.800 1.00 13.05 H new ATOM 0 HA CYS A 48 5.606 0.411 -11.758 1.00 62.03 H new ATOM 0 HB2 CYS A 48 7.779 -0.690 -10.206 1.00 22.22 H new ATOM 0 HB3 CYS A 48 6.361 -0.576 -9.184 1.00 22.22 H new ATOM 691 N ILE A 49 4.214 1.488 -9.971 1.00 73.22 N ATOM 692 CA ILE A 49 3.391 2.310 -9.093 1.00 30.14 C ATOM 693 C ILE A 49 2.672 1.455 -8.054 1.00 4.41 C ATOM 694 O ILE A 49 1.896 0.564 -8.397 1.00 32.34 O ATOM 695 CB ILE A 49 2.347 3.115 -9.889 1.00 45.22 C ATOM 696 CG1 ILE A 49 3.038 3.993 -10.935 1.00 4.34 C ATOM 697 CG2 ILE A 49 1.504 3.964 -8.950 1.00 41.40 C ATOM 698 CD1 ILE A 49 2.081 4.628 -11.919 1.00 31.32 C ATOM 0 H ILE A 49 3.687 0.854 -10.571 1.00 73.22 H new ATOM 0 HA ILE A 49 4.064 3.003 -8.588 1.00 30.14 H new ATOM 0 HB ILE A 49 1.688 2.417 -10.406 1.00 45.22 H new ATOM 0 HG12 ILE A 49 3.597 4.778 -10.426 1.00 4.34 H new ATOM 0 HG13 ILE A 49 3.762 3.390 -11.483 1.00 4.34 H new ATOM 0 HG21 ILE A 49 0.771 4.527 -9.528 1.00 41.40 H new ATOM 0 HG22 ILE A 49 0.988 3.318 -8.240 1.00 41.40 H new ATOM 0 HG23 ILE A 49 2.148 4.657 -8.408 1.00 41.40 H new ATOM 0 HD11 ILE A 49 2.640 5.236 -12.630 1.00 31.32 H new ATOM 0 HD12 ILE A 49 1.540 3.848 -12.455 1.00 31.32 H new ATOM 0 HD13 ILE A 49 1.372 5.258 -11.382 1.00 31.32 H new ATOM 710 N LYS A 50 2.935 1.735 -6.782 1.00 23.22 N ATOM 711 CA LYS A 50 2.312 0.995 -5.691 1.00 21.12 C ATOM 712 C LYS A 50 2.746 -0.467 -5.708 1.00 33.42 C ATOM 713 O LYS A 50 2.044 -1.327 -6.243 1.00 24.44 O ATOM 714 CB LYS A 50 0.788 1.087 -5.790 1.00 53.11 C ATOM 715 CG LYS A 50 0.167 2.020 -4.765 1.00 52.42 C ATOM 716 CD LYS A 50 -0.469 3.231 -5.427 1.00 12.41 C ATOM 717 CE LYS A 50 -0.295 4.484 -4.582 1.00 2.01 C ATOM 718 NZ LYS A 50 -1.128 5.612 -5.083 1.00 60.25 N ATOM 0 H LYS A 50 3.576 2.469 -6.481 1.00 23.22 H new ATOM 0 HA LYS A 50 2.636 1.441 -4.751 1.00 21.12 H new ATOM 0 HB2 LYS A 50 0.517 1.427 -6.790 1.00 53.11 H new ATOM 0 HB3 LYS A 50 0.363 0.091 -5.666 1.00 53.11 H new ATOM 0 HG2 LYS A 50 -0.586 1.481 -4.190 1.00 52.42 H new ATOM 0 HG3 LYS A 50 0.931 2.349 -4.061 1.00 52.42 H new ATOM 0 HD2 LYS A 50 -0.021 3.388 -6.408 1.00 12.41 H new ATOM 0 HD3 LYS A 50 -1.531 3.044 -5.587 1.00 12.41 H new ATOM 0 HE2 LYS A 50 -0.564 4.265 -3.549 1.00 2.01 H new ATOM 0 HE3 LYS A 50 0.754 4.779 -4.583 1.00 2.01 H new ATOM 0 HZ1 LYS A 50 -0.981 6.447 -4.480 1.00 60.25 H new ATOM 0 HZ2 LYS A 50 -0.854 5.838 -6.061 1.00 60.25 H new ATOM 0 HZ3 LYS A 50 -2.132 5.340 -5.059 1.00 60.25 H new ATOM 732 N LEU A 51 3.904 -0.743 -5.119 1.00 31.14 N ATOM 733 CA LEU A 51 4.430 -2.103 -5.065 1.00 3.45 C ATOM 734 C LEU A 51 4.540 -2.587 -3.622 1.00 70.14 C ATOM 735 O LEU A 51 4.993 -1.867 -2.732 1.00 51.04 O ATOM 736 CB LEU A 51 5.800 -2.167 -5.742 1.00 24.32 C ATOM 737 CG LEU A 51 6.236 -3.544 -6.244 1.00 25.10 C ATOM 738 CD1 LEU A 51 5.364 -3.989 -7.407 1.00 72.12 C ATOM 739 CD2 LEU A 51 7.702 -3.523 -6.652 1.00 64.30 C ATOM 0 H LEU A 51 4.497 -0.044 -4.672 1.00 31.14 H new ATOM 0 HA LEU A 51 3.738 -2.756 -5.596 1.00 3.45 H new ATOM 0 HB2 LEU A 51 5.798 -1.478 -6.587 1.00 24.32 H new ATOM 0 HB3 LEU A 51 6.549 -1.805 -5.037 1.00 24.32 H new ATOM 0 HG LEU A 51 6.115 -4.261 -5.432 1.00 25.10 H new ATOM 0 HD11 LEU A 51 5.689 -4.971 -7.751 1.00 72.12 H new ATOM 0 HD12 LEU A 51 4.325 -4.044 -7.082 1.00 72.12 H new ATOM 0 HD13 LEU A 51 5.452 -3.272 -8.223 1.00 72.12 H new ATOM 0 HD21 LEU A 51 7.995 -4.511 -7.007 1.00 64.30 H new ATOM 0 HD22 LEU A 51 7.848 -2.794 -7.449 1.00 64.30 H new ATOM 0 HD23 LEU A 51 8.315 -3.249 -5.793 1.00 64.30 H new ATOM 751 N PRO A 52 4.118 -3.838 -3.384 1.00 52.23 N ATOM 752 CA PRO A 52 4.161 -4.448 -2.052 1.00 41.21 C ATOM 753 C PRO A 52 5.586 -4.737 -1.593 1.00 2.32 C ATOM 754 O PRO A 52 6.496 -4.878 -2.411 1.00 15.33 O ATOM 755 CB PRO A 52 3.383 -5.753 -2.234 1.00 70.33 C ATOM 756 CG PRO A 52 3.517 -6.075 -3.683 1.00 14.12 C ATOM 757 CD PRO A 52 3.566 -4.753 -4.398 1.00 3.14 C ATOM 0 HA PRO A 52 3.744 -3.791 -1.289 1.00 41.21 H new ATOM 0 HB2 PRO A 52 3.793 -6.549 -1.612 1.00 70.33 H new ATOM 0 HB3 PRO A 52 2.337 -5.634 -1.950 1.00 70.33 H new ATOM 0 HG2 PRO A 52 4.421 -6.655 -3.872 1.00 14.12 H new ATOM 0 HG3 PRO A 52 2.675 -6.675 -4.029 1.00 14.12 H new ATOM 0 HD2 PRO A 52 4.198 -4.799 -5.285 1.00 3.14 H new ATOM 0 HD3 PRO A 52 2.576 -4.437 -4.728 1.00 3.14 H new ATOM 765 N ASP A 53 5.774 -4.824 -0.281 1.00 15.04 N ATOM 766 CA ASP A 53 7.088 -5.098 0.287 1.00 4.15 C ATOM 767 C ASP A 53 7.656 -6.403 -0.262 1.00 5.14 C ATOM 768 O ASP A 53 8.869 -6.548 -0.413 1.00 24.40 O ATOM 769 CB ASP A 53 7.004 -5.166 1.813 1.00 4.31 C ATOM 770 CG ASP A 53 7.794 -4.061 2.486 1.00 3.52 C ATOM 771 OD1 ASP A 53 9.041 -4.134 2.480 1.00 2.41 O ATOM 772 OD2 ASP A 53 7.166 -3.122 3.018 1.00 34.03 O ATOM 0 H ASP A 53 5.032 -4.709 0.409 1.00 15.04 H new ATOM 0 HA ASP A 53 7.756 -4.284 0.004 1.00 4.15 H new ATOM 0 HB2 ASP A 53 5.960 -5.101 2.120 1.00 4.31 H new ATOM 0 HB3 ASP A 53 7.376 -6.133 2.152 1.00 4.31 H new ATOM 777 N SER A 54 6.772 -7.350 -0.557 1.00 15.40 N ATOM 778 CA SER A 54 7.185 -8.645 -1.085 1.00 0.34 C ATOM 779 C SER A 54 8.122 -8.472 -2.276 1.00 4.21 C ATOM 780 O SER A 54 9.001 -9.301 -2.515 1.00 54.31 O ATOM 781 CB SER A 54 5.962 -9.465 -1.499 1.00 14.44 C ATOM 782 OG SER A 54 6.347 -10.701 -2.074 1.00 1.02 O ATOM 0 H SER A 54 5.764 -7.245 -0.439 1.00 15.40 H new ATOM 0 HA SER A 54 7.720 -9.176 -0.298 1.00 0.34 H new ATOM 0 HB2 SER A 54 5.330 -9.646 -0.629 1.00 14.44 H new ATOM 0 HB3 SER A 54 5.365 -8.898 -2.214 1.00 14.44 H new ATOM 0 HG SER A 54 5.547 -11.207 -2.329 1.00 1.02 H new ATOM 788 N VAL A 55 7.929 -7.388 -3.021 1.00 12.12 N ATOM 789 CA VAL A 55 8.756 -7.104 -4.187 1.00 44.00 C ATOM 790 C VAL A 55 9.579 -5.837 -3.982 1.00 24.25 C ATOM 791 O VAL A 55 9.178 -4.738 -4.363 1.00 12.53 O ATOM 792 CB VAL A 55 7.900 -6.946 -5.458 1.00 24.42 C ATOM 793 CG1 VAL A 55 8.780 -6.952 -6.699 1.00 3.55 C ATOM 794 CG2 VAL A 55 6.852 -8.046 -5.533 1.00 50.01 C ATOM 0 H VAL A 55 7.206 -6.692 -2.837 1.00 12.12 H new ATOM 0 HA VAL A 55 9.427 -7.954 -4.313 1.00 44.00 H new ATOM 0 HB VAL A 55 7.385 -5.986 -5.412 1.00 24.42 H new ATOM 0 HG11 VAL A 55 8.158 -6.839 -7.587 1.00 3.55 H new ATOM 0 HG12 VAL A 55 9.489 -6.126 -6.646 1.00 3.55 H new ATOM 0 HG13 VAL A 55 9.324 -7.895 -6.755 1.00 3.55 H new ATOM 0 HG21 VAL A 55 6.256 -7.920 -6.437 1.00 50.01 H new ATOM 0 HG22 VAL A 55 7.345 -9.018 -5.557 1.00 50.01 H new ATOM 0 HG23 VAL A 55 6.203 -7.990 -4.659 1.00 50.01 H new ATOM 804 N PRO A 56 10.760 -5.992 -3.365 1.00 23.53 N ATOM 805 CA PRO A 56 11.666 -4.872 -3.095 1.00 40.32 C ATOM 806 C PRO A 56 12.293 -4.314 -4.368 1.00 64.44 C ATOM 807 O PRO A 56 12.917 -5.048 -5.136 1.00 40.44 O ATOM 808 CB PRO A 56 12.739 -5.491 -2.197 1.00 25.30 C ATOM 809 CG PRO A 56 12.728 -6.942 -2.538 1.00 13.54 C ATOM 810 CD PRO A 56 11.303 -7.274 -2.883 1.00 74.13 C ATOM 0 HA PRO A 56 11.146 -4.028 -2.641 1.00 40.32 H new ATOM 0 HB2 PRO A 56 13.717 -5.048 -2.385 1.00 25.30 H new ATOM 0 HB3 PRO A 56 12.514 -5.330 -1.143 1.00 25.30 H new ATOM 0 HG2 PRO A 56 13.392 -7.151 -3.377 1.00 13.54 H new ATOM 0 HG3 PRO A 56 13.077 -7.543 -1.698 1.00 13.54 H new ATOM 0 HD2 PRO A 56 11.245 -8.048 -3.648 1.00 74.13 H new ATOM 0 HD3 PRO A 56 10.755 -7.642 -2.016 1.00 74.13 H new ATOM 818 N ILE A 57 12.125 -3.014 -4.586 1.00 33.55 N ATOM 819 CA ILE A 57 12.676 -2.360 -5.765 1.00 44.41 C ATOM 820 C ILE A 57 14.189 -2.540 -5.837 1.00 72.13 C ATOM 821 O ILE A 57 14.787 -3.200 -4.987 1.00 73.24 O ATOM 822 CB ILE A 57 12.349 -0.855 -5.778 1.00 50.25 C ATOM 823 CG1 ILE A 57 12.783 -0.205 -4.463 1.00 41.53 C ATOM 824 CG2 ILE A 57 10.862 -0.638 -6.017 1.00 61.33 C ATOM 825 CD1 ILE A 57 14.240 0.203 -4.442 1.00 73.25 C ATOM 0 H ILE A 57 11.611 -2.393 -3.961 1.00 33.55 H new ATOM 0 HA ILE A 57 12.214 -2.832 -6.632 1.00 44.41 H new ATOM 0 HB ILE A 57 12.900 -0.386 -6.593 1.00 50.25 H new ATOM 0 HG12 ILE A 57 12.165 0.674 -4.281 1.00 41.53 H new ATOM 0 HG13 ILE A 57 12.597 -0.901 -3.645 1.00 41.53 H new ATOM 0 HG21 ILE A 57 10.647 0.430 -6.023 1.00 61.33 H new ATOM 0 HG22 ILE A 57 10.581 -1.071 -6.977 1.00 61.33 H new ATOM 0 HG23 ILE A 57 10.292 -1.118 -5.222 1.00 61.33 H new ATOM 0 HD11 ILE A 57 14.477 0.657 -3.480 1.00 73.25 H new ATOM 0 HD12 ILE A 57 14.866 -0.676 -4.593 1.00 73.25 H new ATOM 0 HD13 ILE A 57 14.428 0.923 -5.239 1.00 73.25 H new ATOM 837 N ARG A 58 14.802 -1.947 -6.857 1.00 31.53 N ATOM 838 CA ARG A 58 16.245 -2.042 -7.040 1.00 22.13 C ATOM 839 C ARG A 58 16.982 -1.236 -5.974 1.00 44.25 C ATOM 840 O ARG A 58 16.856 -0.013 -5.908 1.00 43.04 O ATOM 841 CB ARG A 58 16.638 -1.546 -8.433 1.00 33.04 C ATOM 842 CG ARG A 58 17.660 -2.430 -9.128 1.00 42.31 C ATOM 843 CD ARG A 58 19.059 -2.205 -8.575 1.00 12.00 C ATOM 844 NE ARG A 58 20.080 -2.869 -9.381 1.00 54.34 N ATOM 845 CZ ARG A 58 21.366 -2.909 -9.051 1.00 54.14 C ATOM 846 NH1 ARG A 58 21.786 -2.327 -7.937 1.00 32.25 N ATOM 847 NH2 ARG A 58 22.234 -3.533 -9.837 1.00 43.40 N ATOM 0 H ARG A 58 14.322 -1.396 -7.569 1.00 31.53 H new ATOM 0 HA ARG A 58 16.531 -3.089 -6.941 1.00 22.13 H new ATOM 0 HB2 ARG A 58 15.744 -1.483 -9.053 1.00 33.04 H new ATOM 0 HB3 ARG A 58 17.040 -0.536 -8.350 1.00 33.04 H new ATOM 0 HG2 ARG A 58 17.382 -3.477 -9.003 1.00 42.31 H new ATOM 0 HG3 ARG A 58 17.653 -2.224 -10.198 1.00 42.31 H new ATOM 0 HD2 ARG A 58 19.266 -1.136 -8.537 1.00 12.00 H new ATOM 0 HD3 ARG A 58 19.108 -2.576 -7.551 1.00 12.00 H new ATOM 0 HE ARG A 58 19.790 -3.327 -10.245 1.00 54.34 H new ATOM 0 HH11 ARG A 58 21.121 -1.847 -7.331 1.00 32.25 H new ATOM 0 HH12 ARG A 58 22.774 -2.359 -7.686 1.00 32.25 H new ATOM 0 HH21 ARG A 58 21.914 -3.982 -10.695 1.00 43.40 H new ATOM 0 HH22 ARG A 58 23.221 -3.563 -9.583 1.00 43.40 H new ATOM 861 N VAL A 59 17.752 -1.929 -5.142 1.00 31.54 N ATOM 862 CA VAL A 59 18.510 -1.279 -4.080 1.00 12.44 C ATOM 863 C VAL A 59 19.905 -0.893 -4.557 1.00 42.34 C ATOM 864 O VAL A 59 20.447 -1.470 -5.500 1.00 63.01 O ATOM 865 CB VAL A 59 18.636 -2.187 -2.842 1.00 72.02 C ATOM 866 CG1 VAL A 59 17.290 -2.334 -2.148 1.00 61.35 C ATOM 867 CG2 VAL A 59 19.194 -3.547 -3.234 1.00 43.55 C ATOM 0 H VAL A 59 17.867 -2.942 -5.183 1.00 31.54 H new ATOM 0 HA VAL A 59 17.961 -0.378 -3.806 1.00 12.44 H new ATOM 0 HB VAL A 59 19.330 -1.723 -2.141 1.00 72.02 H new ATOM 0 HG11 VAL A 59 17.399 -2.979 -1.276 1.00 61.35 H new ATOM 0 HG12 VAL A 59 16.934 -1.353 -1.832 1.00 61.35 H new ATOM 0 HG13 VAL A 59 16.571 -2.775 -2.838 1.00 61.35 H new ATOM 0 HG21 VAL A 59 19.276 -4.176 -2.347 1.00 43.55 H new ATOM 0 HG22 VAL A 59 18.526 -4.020 -3.954 1.00 43.55 H new ATOM 0 HG23 VAL A 59 20.180 -3.421 -3.682 1.00 43.55 H new ATOM 877 N PRO A 60 20.503 0.107 -3.892 1.00 52.14 N ATOM 878 CA PRO A 60 21.844 0.592 -4.231 1.00 1.42 C ATOM 879 C PRO A 60 22.931 -0.419 -3.884 1.00 21.12 C ATOM 880 O PRO A 60 23.290 -0.584 -2.719 1.00 3.12 O ATOM 881 CB PRO A 60 21.992 1.852 -3.374 1.00 23.14 C ATOM 882 CG PRO A 60 21.073 1.636 -2.222 1.00 13.45 C ATOM 883 CD PRO A 60 19.915 0.841 -2.759 1.00 24.54 C ATOM 0 HA PRO A 60 21.954 0.772 -5.300 1.00 1.42 H new ATOM 0 HB2 PRO A 60 23.021 1.985 -3.040 1.00 23.14 H new ATOM 0 HB3 PRO A 60 21.721 2.746 -3.935 1.00 23.14 H new ATOM 0 HG2 PRO A 60 21.575 1.099 -1.418 1.00 13.45 H new ATOM 0 HG3 PRO A 60 20.736 2.586 -1.809 1.00 13.45 H new ATOM 0 HD2 PRO A 60 19.510 0.163 -2.008 1.00 24.54 H new ATOM 0 HD3 PRO A 60 19.098 1.487 -3.079 1.00 24.54 H new ATOM 891 N GLY A 61 23.452 -1.095 -4.904 1.00 1.42 N ATOM 892 CA GLY A 61 24.494 -2.081 -4.685 1.00 75.53 C ATOM 893 C GLY A 61 24.868 -2.820 -5.955 1.00 32.21 C ATOM 894 O GLY A 61 24.664 -2.315 -7.059 1.00 61.53 O ATOM 0 H GLY A 61 23.171 -0.977 -5.877 1.00 1.42 H new ATOM 0 HA2 GLY A 61 25.378 -1.587 -4.282 1.00 75.53 H new ATOM 0 HA3 GLY A 61 24.160 -2.798 -3.936 1.00 75.53 H new ATOM 898 N LYS A 62 25.419 -4.019 -5.799 1.00 75.33 N ATOM 899 CA LYS A 62 25.823 -4.830 -6.942 1.00 23.14 C ATOM 900 C LYS A 62 24.712 -5.793 -7.347 1.00 13.14 C ATOM 901 O LYS A 62 23.754 -6.001 -6.601 1.00 1.31 O ATOM 902 CB LYS A 62 27.096 -5.613 -6.612 1.00 30.31 C ATOM 903 CG LYS A 62 28.373 -4.822 -6.836 1.00 53.34 C ATOM 904 CD LYS A 62 29.196 -4.719 -5.564 1.00 24.23 C ATOM 905 CE LYS A 62 30.242 -5.821 -5.486 1.00 43.24 C ATOM 906 NZ LYS A 62 30.896 -5.872 -4.149 1.00 61.04 N ATOM 0 H LYS A 62 25.596 -4.451 -4.892 1.00 75.33 H new ATOM 0 HA LYS A 62 26.021 -4.160 -7.779 1.00 23.14 H new ATOM 0 HB2 LYS A 62 27.055 -5.934 -5.571 1.00 30.31 H new ATOM 0 HB3 LYS A 62 27.126 -6.515 -7.223 1.00 30.31 H new ATOM 0 HG2 LYS A 62 28.966 -5.300 -7.616 1.00 53.34 H new ATOM 0 HG3 LYS A 62 28.125 -3.822 -7.192 1.00 53.34 H new ATOM 0 HD2 LYS A 62 29.687 -3.747 -5.525 1.00 24.23 H new ATOM 0 HD3 LYS A 62 28.538 -4.779 -4.697 1.00 24.23 H new ATOM 0 HE2 LYS A 62 29.773 -6.782 -5.698 1.00 43.24 H new ATOM 0 HE3 LYS A 62 30.998 -5.659 -6.254 1.00 43.24 H new ATOM 0 HZ1 LYS A 62 31.602 -6.636 -4.137 1.00 61.04 H new ATOM 0 HZ2 LYS A 62 31.365 -4.964 -3.957 1.00 61.04 H new ATOM 0 HZ3 LYS A 62 30.178 -6.052 -3.418 1.00 61.04 H new ATOM 920 N CYS A 63 24.846 -6.379 -8.531 1.00 73.44 N ATOM 921 CA CYS A 63 23.854 -7.321 -9.036 1.00 32.35 C ATOM 922 C CYS A 63 24.388 -8.750 -8.991 1.00 2.04 C ATOM 923 O CYS A 63 25.575 -8.986 -9.217 1.00 34.14 O ATOM 924 CB CYS A 63 23.457 -6.958 -10.468 1.00 32.42 C ATOM 925 SG CYS A 63 22.355 -8.171 -11.264 1.00 64.32 S ATOM 0 H CYS A 63 25.633 -6.218 -9.160 1.00 73.44 H new ATOM 0 HA CYS A 63 22.974 -7.260 -8.396 1.00 32.35 H new ATOM 0 HB2 CYS A 63 22.965 -5.985 -10.462 1.00 32.42 H new ATOM 0 HB3 CYS A 63 24.360 -6.855 -11.069 1.00 32.42 H new ATOM 930 N GLN A 64 23.504 -9.698 -8.698 1.00 14.22 N ATOM 931 CA GLN A 64 23.887 -11.103 -8.623 1.00 54.30 C ATOM 932 C GLN A 64 22.824 -11.991 -9.260 1.00 73.44 C ATOM 933 O GLN A 64 21.804 -11.504 -9.750 1.00 32.34 O ATOM 934 CB GLN A 64 24.108 -11.516 -7.167 1.00 12.01 C ATOM 935 CG GLN A 64 25.371 -12.334 -6.952 1.00 10.12 C ATOM 936 CD GLN A 64 25.597 -12.686 -5.495 1.00 22.02 C ATOM 937 OE1 GLN A 64 24.836 -13.453 -4.904 1.00 41.11 O ATOM 938 NE2 GLN A 64 26.648 -12.126 -4.906 1.00 72.34 N ATOM 0 H GLN A 64 22.518 -9.519 -8.509 1.00 14.22 H new ATOM 0 HA GLN A 64 24.819 -11.230 -9.174 1.00 54.30 H new ATOM 0 HB2 GLN A 64 24.155 -10.621 -6.547 1.00 12.01 H new ATOM 0 HB3 GLN A 64 23.248 -12.094 -6.827 1.00 12.01 H new ATOM 0 HG2 GLN A 64 25.310 -13.251 -7.538 1.00 10.12 H new ATOM 0 HG3 GLN A 64 26.229 -11.775 -7.324 1.00 10.12 H new ATOM 0 HE21 GLN A 64 27.253 -11.496 -5.433 1.00 72.34 H new ATOM 0 HE22 GLN A 64 26.850 -12.326 -3.926 1.00 72.34 H new TER 947 GLN A 64