USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=10 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 Set 1.1: A 7 SER OG : rot -159:sc= 0.736 USER MOD Set 1.2: A 10 THR OG1 : rot -174:sc= 1.54 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 11 ASN : amide:sc= 0.82 K(o=0.82,f=-4.9!) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00747) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -1.89! C(o=-3.6!,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= 0.623 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 65:sc= 1.2 USER MOD Single : A 32 LYS NZ :NH3+ -104:sc= 0.812 (180deg=-1.79!) USER MOD ----------------------------------------------------------------- ATOM 20 N CYS A 2 -2.168 -8.753 -6.543 1.00 22.41 N ATOM 21 CA CYS A 2 -1.444 -7.618 -5.934 1.00 30.11 C ATOM 22 C CYS A 2 -2.394 -6.415 -5.739 1.00 43.24 C ATOM 23 O CYS A 2 -3.134 -6.047 -6.665 1.00 45.51 O ATOM 24 CB CYS A 2 -0.242 -7.193 -6.809 1.00 3.41 C ATOM 25 SG CYS A 2 1.094 -8.423 -6.997 1.00 73.12 S ATOM 0 HA CYS A 2 -1.071 -7.943 -4.963 1.00 30.11 H new ATOM 0 HB2 CYS A 2 -0.614 -6.937 -7.801 1.00 3.41 H new ATOM 0 HB3 CYS A 2 0.186 -6.285 -6.385 1.00 3.41 H new ATOM 30 N TYR A 3 -2.365 -5.816 -4.532 1.00 54.55 N ATOM 31 CA TYR A 3 -3.193 -4.644 -4.190 1.00 65.03 C ATOM 32 C TYR A 3 -2.715 -3.403 -4.956 1.00 51.14 C ATOM 33 O TYR A 3 -1.524 -3.069 -4.924 1.00 64.22 O ATOM 34 CB TYR A 3 -3.141 -4.372 -2.668 1.00 2.52 C ATOM 35 CG TYR A 3 -4.162 -3.344 -2.141 1.00 51.35 C ATOM 36 CD1 TYR A 3 -5.493 -3.388 -2.534 1.00 2.51 C ATOM 37 CD2 TYR A 3 -3.793 -2.333 -1.250 1.00 12.54 C ATOM 38 CE1 TYR A 3 -6.419 -2.472 -2.067 1.00 61.01 C ATOM 39 CE2 TYR A 3 -4.712 -1.416 -0.781 1.00 63.12 C ATOM 40 CZ TYR A 3 -6.021 -1.485 -1.194 1.00 3.31 C ATOM 41 OH TYR A 3 -6.935 -0.557 -0.731 1.00 30.12 O ATOM 0 H TYR A 3 -1.767 -6.131 -3.768 1.00 54.55 H new ATOM 0 HA TYR A 3 -4.222 -4.860 -4.477 1.00 65.03 H new ATOM 0 HB2 TYR A 3 -3.297 -5.314 -2.143 1.00 2.52 H new ATOM 0 HB3 TYR A 3 -2.139 -4.027 -2.413 1.00 2.52 H new ATOM 0 HD1 TYR A 3 -5.814 -4.157 -3.222 1.00 2.51 H new ATOM 0 HD2 TYR A 3 -2.766 -2.268 -0.921 1.00 12.54 H new ATOM 0 HE1 TYR A 3 -7.449 -2.531 -2.386 1.00 61.01 H new ATOM 0 HE2 TYR A 3 -4.403 -0.645 -0.090 1.00 63.12 H new ATOM 0 HH TYR A 3 -6.487 0.068 -0.123 1.00 30.12 H new ATOM 51 N THR A 4 -3.653 -2.734 -5.632 1.00 25.44 N ATOM 52 CA THR A 4 -3.380 -1.528 -6.417 1.00 73.05 C ATOM 53 C THR A 4 -4.000 -0.301 -5.713 1.00 44.53 C ATOM 54 O THR A 4 -5.214 -0.256 -5.493 1.00 43.51 O ATOM 55 CB THR A 4 -3.944 -1.711 -7.858 1.00 61.12 C ATOM 56 OG1 THR A 4 -3.397 -2.922 -8.421 1.00 22.31 O ATOM 57 CG2 THR A 4 -3.596 -0.524 -8.776 1.00 4.21 C ATOM 0 H THR A 4 -4.633 -3.017 -5.650 1.00 25.44 H new ATOM 0 HA THR A 4 -2.305 -1.362 -6.493 1.00 73.05 H new ATOM 0 HB THR A 4 -5.030 -1.766 -7.789 1.00 61.12 H new ATOM 0 HG1 THR A 4 -3.747 -3.048 -9.328 1.00 22.31 H new ATOM 0 HG21 THR A 4 -4.011 -0.698 -9.769 1.00 4.21 H new ATOM 0 HG22 THR A 4 -4.018 0.392 -8.362 1.00 4.21 H new ATOM 0 HG23 THR A 4 -2.513 -0.425 -8.847 1.00 4.21 H new ATOM 65 N PHE A 5 -3.138 0.665 -5.340 1.00 42.42 N ATOM 66 CA PHE A 5 -3.516 1.874 -4.569 1.00 61.05 C ATOM 67 C PHE A 5 -2.553 3.016 -4.926 1.00 1.41 C ATOM 68 O PHE A 5 -1.358 2.785 -5.080 1.00 5.53 O ATOM 69 CB PHE A 5 -3.492 1.583 -3.033 1.00 2.13 C ATOM 70 CG PHE A 5 -2.164 1.039 -2.481 1.00 2.31 C ATOM 71 CD1 PHE A 5 -1.751 -0.257 -2.790 1.00 34.03 C ATOM 72 CD2 PHE A 5 -1.348 1.804 -1.649 1.00 33.42 C ATOM 73 CE1 PHE A 5 -0.582 -0.775 -2.293 1.00 63.01 C ATOM 74 CE2 PHE A 5 -0.170 1.282 -1.146 1.00 10.20 C ATOM 75 CZ PHE A 5 0.211 -0.010 -1.467 1.00 3.52 C ATOM 0 H PHE A 5 -2.144 0.630 -5.567 1.00 42.42 H new ATOM 0 HA PHE A 5 -4.533 2.166 -4.830 1.00 61.05 H new ATOM 0 HB2 PHE A 5 -3.735 2.504 -2.503 1.00 2.13 H new ATOM 0 HB3 PHE A 5 -4.281 0.866 -2.805 1.00 2.13 H new ATOM 0 HD1 PHE A 5 -2.366 -0.867 -3.435 1.00 34.03 H new ATOM 0 HD2 PHE A 5 -1.638 2.813 -1.395 1.00 33.42 H new ATOM 0 HE1 PHE A 5 -0.284 -1.781 -2.549 1.00 63.01 H new ATOM 0 HE2 PHE A 5 0.454 1.883 -0.502 1.00 10.20 H new ATOM 0 HZ PHE A 5 1.129 -0.417 -1.070 1.00 3.52 H new ATOM 85 N ARG A 6 -3.075 4.243 -5.034 1.00 30.10 N ATOM 86 CA ARG A 6 -2.318 5.396 -5.540 1.00 32.32 C ATOM 87 C ARG A 6 -2.263 6.491 -4.467 1.00 74.35 C ATOM 88 O ARG A 6 -3.261 6.769 -3.809 1.00 53.42 O ATOM 89 CB ARG A 6 -2.985 5.925 -6.845 1.00 24.21 C ATOM 90 CG ARG A 6 -2.244 7.098 -7.537 1.00 74.33 C ATOM 91 CD ARG A 6 -2.934 7.548 -8.840 1.00 33.24 C ATOM 92 NE ARG A 6 -2.224 8.657 -9.515 1.00 64.45 N ATOM 93 CZ ARG A 6 -1.672 8.599 -10.742 1.00 52.44 C ATOM 94 NH1 ARG A 6 -1.715 7.482 -11.470 1.00 62.21 N ATOM 95 NH2 ARG A 6 -1.113 9.686 -11.255 1.00 53.33 N ATOM 0 H ARG A 6 -4.036 4.466 -4.773 1.00 30.10 H new ATOM 0 HA ARG A 6 -1.297 5.094 -5.772 1.00 32.32 H new ATOM 0 HB2 ARG A 6 -3.066 5.100 -7.553 1.00 24.21 H new ATOM 0 HB3 ARG A 6 -4.000 6.245 -6.611 1.00 24.21 H new ATOM 0 HG2 ARG A 6 -2.187 7.942 -6.850 1.00 74.33 H new ATOM 0 HG3 ARG A 6 -1.220 6.796 -7.758 1.00 74.33 H new ATOM 0 HD2 ARG A 6 -3.002 6.699 -9.521 1.00 33.24 H new ATOM 0 HD3 ARG A 6 -3.954 7.860 -8.616 1.00 33.24 H new ATOM 0 HE ARG A 6 -2.146 9.539 -9.009 1.00 64.45 H new ATOM 0 HH11 ARG A 6 -2.173 6.649 -11.100 1.00 62.21 H new ATOM 0 HH12 ARG A 6 -1.290 7.461 -12.397 1.00 62.21 H new ATOM 0 HH21 ARG A 6 -1.104 10.555 -10.721 1.00 53.33 H new ATOM 0 HH22 ARG A 6 -0.692 9.653 -12.183 1.00 53.33 H new ATOM 109 N SER A 7 -1.076 7.073 -4.281 1.00 61.31 N ATOM 110 CA SER A 7 -0.860 8.256 -3.427 1.00 22.24 C ATOM 111 C SER A 7 -1.402 9.531 -4.108 1.00 61.43 C ATOM 112 O SER A 7 -1.613 9.556 -5.322 1.00 52.34 O ATOM 113 CB SER A 7 0.656 8.407 -3.161 1.00 33.24 C ATOM 114 OG SER A 7 0.978 9.623 -2.495 1.00 41.25 O ATOM 0 H SER A 7 -0.222 6.735 -4.724 1.00 61.31 H new ATOM 0 HA SER A 7 -1.395 8.121 -2.487 1.00 22.24 H new ATOM 0 HB2 SER A 7 1.001 7.566 -2.560 1.00 33.24 H new ATOM 0 HB3 SER A 7 1.193 8.363 -4.108 1.00 33.24 H new ATOM 0 HG SER A 7 1.924 9.835 -2.640 1.00 41.25 H new ATOM 120 N GLU A 8 -1.619 10.584 -3.302 1.00 50.42 N ATOM 121 CA GLU A 8 -2.007 11.925 -3.784 1.00 22.13 C ATOM 122 C GLU A 8 -0.854 12.912 -3.522 1.00 72.15 C ATOM 123 O GLU A 8 -0.510 13.728 -4.386 1.00 65.21 O ATOM 124 CB GLU A 8 -3.309 12.402 -3.067 1.00 4.41 C ATOM 125 CG GLU A 8 -3.905 13.731 -3.592 1.00 61.41 C ATOM 126 CD GLU A 8 -4.498 13.632 -5.014 1.00 21.04 C ATOM 127 OE1 GLU A 8 -3.732 13.666 -5.997 1.00 62.15 O ATOM 128 OE2 GLU A 8 -5.738 13.516 -5.153 1.00 51.33 O ATOM 0 H GLU A 8 -1.530 10.530 -2.287 1.00 50.42 H new ATOM 0 HA GLU A 8 -2.206 11.882 -4.855 1.00 22.13 H new ATOM 0 HB2 GLU A 8 -4.064 11.621 -3.163 1.00 4.41 H new ATOM 0 HB3 GLU A 8 -3.099 12.513 -2.003 1.00 4.41 H new ATOM 0 HG2 GLU A 8 -4.684 14.064 -2.906 1.00 61.41 H new ATOM 0 HG3 GLU A 8 -3.127 14.494 -3.586 1.00 61.41 H new ATOM 135 N CYS A 9 -0.257 12.801 -2.320 1.00 11.52 N ATOM 136 CA CYS A 9 0.829 13.693 -1.855 1.00 30.33 C ATOM 137 C CYS A 9 2.106 13.566 -2.716 1.00 53.54 C ATOM 138 O CYS A 9 2.873 14.526 -2.845 1.00 13.31 O ATOM 139 CB CYS A 9 1.150 13.381 -0.382 1.00 24.13 C ATOM 140 SG CYS A 9 -0.255 13.623 0.754 1.00 64.05 S ATOM 0 H CYS A 9 -0.514 12.087 -1.639 1.00 11.52 H new ATOM 0 HA CYS A 9 0.480 14.721 -1.954 1.00 30.33 H new ATOM 0 HB2 CYS A 9 1.491 12.348 -0.307 1.00 24.13 H new ATOM 0 HB3 CYS A 9 1.977 14.014 -0.060 1.00 24.13 H new ATOM 145 N THR A 10 2.329 12.372 -3.289 1.00 71.02 N ATOM 146 CA THR A 10 3.473 12.103 -4.179 1.00 14.14 C ATOM 147 C THR A 10 2.954 11.754 -5.582 1.00 30.24 C ATOM 148 O THR A 10 3.680 11.920 -6.570 1.00 62.12 O ATOM 149 CB THR A 10 4.347 10.928 -3.648 1.00 65.35 C ATOM 150 OG1 THR A 10 3.555 9.730 -3.605 1.00 70.05 O ATOM 151 CG2 THR A 10 4.927 11.228 -2.251 1.00 63.04 C ATOM 0 H THR A 10 1.721 11.565 -3.149 1.00 71.02 H new ATOM 0 HA THR A 10 4.093 12.999 -4.214 1.00 14.14 H new ATOM 0 HB THR A 10 5.189 10.796 -4.328 1.00 65.35 H new ATOM 0 HG1 THR A 10 4.069 9.013 -3.179 1.00 70.05 H new ATOM 0 HG21 THR A 10 5.530 10.383 -1.918 1.00 63.04 H new ATOM 0 HG22 THR A 10 5.550 12.121 -2.300 1.00 63.04 H new ATOM 0 HG23 THR A 10 4.112 11.392 -1.546 1.00 63.04 H new ATOM 159 N ASN A 11 1.702 11.209 -5.630 1.00 63.43 N ATOM 160 CA ASN A 11 0.947 10.930 -6.879 1.00 64.41 C ATOM 161 C ASN A 11 1.415 9.612 -7.568 1.00 34.44 C ATOM 162 O ASN A 11 0.915 9.239 -8.636 1.00 44.55 O ATOM 163 CB ASN A 11 1.004 12.182 -7.818 1.00 53.23 C ATOM 164 CG ASN A 11 0.195 12.098 -9.113 1.00 64.34 C ATOM 165 OD1 ASN A 11 -0.880 11.493 -9.159 1.00 12.23 O ATOM 166 ND2 ASN A 11 0.709 12.697 -10.183 1.00 30.22 N ATOM 0 H ASN A 11 1.187 10.950 -4.788 1.00 63.43 H new ATOM 0 HA ASN A 11 -0.100 10.754 -6.630 1.00 64.41 H new ATOM 0 HB2 ASN A 11 0.657 13.048 -7.254 1.00 53.23 H new ATOM 0 HB3 ASN A 11 2.046 12.367 -8.078 1.00 53.23 H new ATOM 0 HD21 ASN A 11 0.213 12.664 -11.073 1.00 30.22 H new ATOM 0 HD22 ASN A 11 1.600 13.189 -10.113 1.00 30.22 H new ATOM 173 N LYS A 12 2.351 8.885 -6.922 1.00 43.52 N ATOM 174 CA LYS A 12 2.823 7.560 -7.398 1.00 25.42 C ATOM 175 C LYS A 12 1.751 6.489 -7.097 1.00 25.01 C ATOM 176 O LYS A 12 1.172 6.499 -6.015 1.00 41.55 O ATOM 177 CB LYS A 12 4.170 7.147 -6.717 1.00 71.11 C ATOM 178 CG LYS A 12 5.452 7.869 -7.216 1.00 63.34 C ATOM 179 CD LYS A 12 5.551 9.333 -6.752 1.00 53.42 C ATOM 180 CE LYS A 12 6.835 10.046 -7.223 1.00 2.42 C ATOM 181 NZ LYS A 12 8.078 9.443 -6.657 1.00 13.54 N ATOM 0 H LYS A 12 2.801 9.194 -6.060 1.00 43.52 H new ATOM 0 HA LYS A 12 2.994 7.633 -8.472 1.00 25.42 H new ATOM 0 HB2 LYS A 12 4.077 7.320 -5.645 1.00 71.11 H new ATOM 0 HB3 LYS A 12 4.307 6.075 -6.856 1.00 71.11 H new ATOM 0 HG2 LYS A 12 6.327 7.324 -6.863 1.00 63.34 H new ATOM 0 HG3 LYS A 12 5.476 7.839 -8.305 1.00 63.34 H new ATOM 0 HD2 LYS A 12 4.685 9.882 -7.122 1.00 53.42 H new ATOM 0 HD3 LYS A 12 5.507 9.364 -5.663 1.00 53.42 H new ATOM 0 HE2 LYS A 12 6.884 10.012 -8.311 1.00 2.42 H new ATOM 0 HE3 LYS A 12 6.786 11.097 -6.939 1.00 2.42 H new ATOM 0 HZ1 LYS A 12 8.905 9.984 -6.981 1.00 13.54 H new ATOM 0 HZ2 LYS A 12 8.034 9.467 -5.618 1.00 13.54 H new ATOM 0 HZ3 LYS A 12 8.162 8.457 -6.977 1.00 13.54 H new ATOM 195 N GLU A 13 1.483 5.585 -8.061 1.00 5.10 N ATOM 196 CA GLU A 13 0.608 4.398 -7.836 1.00 50.41 C ATOM 197 C GLU A 13 1.469 3.189 -7.425 1.00 65.25 C ATOM 198 O GLU A 13 2.624 3.074 -7.843 1.00 51.31 O ATOM 199 CB GLU A 13 -0.240 4.062 -9.097 1.00 62.43 C ATOM 200 CG GLU A 13 0.577 3.683 -10.347 1.00 5.13 C ATOM 201 CD GLU A 13 -0.277 3.111 -11.487 1.00 70.22 C ATOM 202 OE1 GLU A 13 -0.725 1.951 -11.371 1.00 22.23 O ATOM 203 OE2 GLU A 13 -0.517 3.816 -12.490 1.00 10.12 O ATOM 0 H GLU A 13 1.857 5.648 -9.008 1.00 5.10 H new ATOM 0 HA GLU A 13 -0.088 4.636 -7.032 1.00 50.41 H new ATOM 0 HB2 GLU A 13 -0.911 3.238 -8.856 1.00 62.43 H new ATOM 0 HB3 GLU A 13 -0.865 4.922 -9.336 1.00 62.43 H new ATOM 0 HG2 GLU A 13 1.105 4.566 -10.707 1.00 5.13 H new ATOM 0 HG3 GLU A 13 1.334 2.950 -10.068 1.00 5.13 H new ATOM 210 N PHE A 14 0.894 2.279 -6.624 1.00 70.35 N ATOM 211 CA PHE A 14 1.642 1.172 -5.990 1.00 33.20 C ATOM 212 C PHE A 14 0.949 -0.164 -6.252 1.00 14.24 C ATOM 213 O PHE A 14 -0.279 -0.225 -6.416 1.00 2.42 O ATOM 214 CB PHE A 14 1.778 1.402 -4.466 1.00 2.14 C ATOM 215 CG PHE A 14 2.318 2.780 -4.106 1.00 50.43 C ATOM 216 CD1 PHE A 14 3.667 3.092 -4.296 1.00 61.14 C ATOM 217 CD2 PHE A 14 1.471 3.772 -3.611 1.00 4.22 C ATOM 218 CE1 PHE A 14 4.145 4.353 -3.996 1.00 32.23 C ATOM 219 CE2 PHE A 14 1.952 5.025 -3.318 1.00 54.11 C ATOM 220 CZ PHE A 14 3.284 5.313 -3.508 1.00 21.43 C ATOM 0 H PHE A 14 -0.100 2.286 -6.395 1.00 70.35 H new ATOM 0 HA PHE A 14 2.639 1.146 -6.430 1.00 33.20 H new ATOM 0 HB2 PHE A 14 0.803 1.269 -3.998 1.00 2.14 H new ATOM 0 HB3 PHE A 14 2.438 0.641 -4.049 1.00 2.14 H new ATOM 0 HD1 PHE A 14 4.341 2.341 -4.681 1.00 61.14 H new ATOM 0 HD2 PHE A 14 0.425 3.552 -3.456 1.00 4.22 H new ATOM 0 HE1 PHE A 14 5.189 4.586 -4.143 1.00 32.23 H new ATOM 0 HE2 PHE A 14 1.284 5.784 -2.938 1.00 54.11 H new ATOM 0 HZ PHE A 14 3.658 6.299 -3.273 1.00 21.43 H new ATOM 230 N THR A 15 1.764 -1.224 -6.284 1.00 71.45 N ATOM 231 CA THR A 15 1.326 -2.602 -6.507 1.00 32.13 C ATOM 232 C THR A 15 2.139 -3.524 -5.568 1.00 22.43 C ATOM 233 O THR A 15 3.362 -3.627 -5.719 1.00 63.01 O ATOM 234 CB THR A 15 1.550 -2.974 -8.019 1.00 32.20 C ATOM 235 OG1 THR A 15 0.836 -2.041 -8.857 1.00 61.12 O ATOM 236 CG2 THR A 15 1.091 -4.395 -8.370 1.00 74.22 C ATOM 0 H THR A 15 2.772 -1.143 -6.152 1.00 71.45 H new ATOM 0 HA THR A 15 0.265 -2.722 -6.286 1.00 32.13 H new ATOM 0 HB THR A 15 2.625 -2.924 -8.193 1.00 32.20 H new ATOM 0 HG1 THR A 15 0.977 -2.273 -9.799 1.00 61.12 H new ATOM 0 HG21 THR A 15 1.274 -4.586 -9.427 1.00 74.22 H new ATOM 0 HG22 THR A 15 1.647 -5.115 -7.770 1.00 74.22 H new ATOM 0 HG23 THR A 15 0.026 -4.495 -8.163 1.00 74.22 H new ATOM 244 N VAL A 16 1.463 -4.171 -4.594 1.00 11.13 N ATOM 245 CA VAL A 16 2.139 -5.009 -3.569 1.00 2.21 C ATOM 246 C VAL A 16 1.383 -6.344 -3.379 1.00 70.33 C ATOM 247 O VAL A 16 0.160 -6.367 -3.190 1.00 54.55 O ATOM 248 CB VAL A 16 2.288 -4.232 -2.190 1.00 45.31 C ATOM 249 CG1 VAL A 16 0.928 -3.876 -1.548 1.00 45.52 C ATOM 250 CG2 VAL A 16 3.190 -5.008 -1.196 1.00 21.41 C ATOM 0 H VAL A 16 0.449 -4.131 -4.493 1.00 11.13 H new ATOM 0 HA VAL A 16 3.145 -5.232 -3.925 1.00 2.21 H new ATOM 0 HB VAL A 16 2.776 -3.286 -2.426 1.00 45.31 H new ATOM 0 HG11 VAL A 16 1.096 -3.347 -0.610 1.00 45.52 H new ATOM 0 HG12 VAL A 16 0.361 -3.239 -2.227 1.00 45.52 H new ATOM 0 HG13 VAL A 16 0.367 -4.790 -1.354 1.00 45.52 H new ATOM 0 HG21 VAL A 16 3.270 -4.448 -0.264 1.00 21.41 H new ATOM 0 HG22 VAL A 16 2.753 -5.986 -0.995 1.00 21.41 H new ATOM 0 HG23 VAL A 16 4.182 -5.136 -1.629 1.00 21.41 H new ATOM 260 N CYS A 17 2.112 -7.464 -3.488 1.00 73.13 N ATOM 261 CA CYS A 17 1.575 -8.814 -3.240 1.00 4.40 C ATOM 262 C CYS A 17 2.090 -9.353 -1.905 1.00 4.10 C ATOM 263 O CYS A 17 3.281 -9.253 -1.586 1.00 43.41 O ATOM 264 CB CYS A 17 1.935 -9.782 -4.400 1.00 51.54 C ATOM 265 SG CYS A 17 0.646 -9.900 -5.688 1.00 1.43 S ATOM 0 H CYS A 17 3.097 -7.461 -3.752 1.00 73.13 H new ATOM 0 HA CYS A 17 0.488 -8.744 -3.191 1.00 4.40 H new ATOM 0 HB2 CYS A 17 2.866 -9.452 -4.860 1.00 51.54 H new ATOM 0 HB3 CYS A 17 2.117 -10.775 -3.989 1.00 51.54 H new ATOM 270 N ARG A 18 1.157 -9.908 -1.130 1.00 64.13 N ATOM 271 CA ARG A 18 1.428 -10.642 0.110 1.00 23.44 C ATOM 272 C ARG A 18 0.586 -11.933 0.098 1.00 44.31 C ATOM 273 O ARG A 18 -0.522 -11.930 -0.461 1.00 71.31 O ATOM 274 CB ARG A 18 1.095 -9.767 1.354 1.00 31.03 C ATOM 275 CG ARG A 18 2.099 -8.618 1.630 1.00 5.20 C ATOM 276 CD ARG A 18 3.490 -9.143 2.043 1.00 65.33 C ATOM 277 NE ARG A 18 4.421 -8.052 2.376 1.00 63.33 N ATOM 278 CZ ARG A 18 5.170 -7.973 3.487 1.00 1.41 C ATOM 279 NH1 ARG A 18 5.125 -8.918 4.423 1.00 4.52 N ATOM 280 NH2 ARG A 18 6.000 -6.958 3.633 1.00 43.15 N ATOM 0 H ARG A 18 0.163 -9.859 -1.353 1.00 64.13 H new ATOM 0 HA ARG A 18 2.487 -10.894 0.171 1.00 23.44 H new ATOM 0 HB2 ARG A 18 0.101 -9.338 1.223 1.00 31.03 H new ATOM 0 HB3 ARG A 18 1.051 -10.411 2.232 1.00 31.03 H new ATOM 0 HG2 ARG A 18 2.196 -8.001 0.737 1.00 5.20 H new ATOM 0 HG3 ARG A 18 1.706 -7.977 2.419 1.00 5.20 H new ATOM 0 HD2 ARG A 18 3.386 -9.804 2.903 1.00 65.33 H new ATOM 0 HD3 ARG A 18 3.907 -9.739 1.231 1.00 65.33 H new ATOM 0 HE ARG A 18 4.504 -7.290 1.704 1.00 63.33 H new ATOM 0 HH11 ARG A 18 4.512 -9.724 4.304 1.00 4.52 H new ATOM 0 HH12 ARG A 18 5.704 -8.836 5.259 1.00 4.52 H new ATOM 0 HH21 ARG A 18 6.067 -6.245 2.906 1.00 43.15 H new ATOM 0 HH22 ARG A 18 6.575 -6.886 4.472 1.00 43.15 H new ATOM 294 N PRO A 19 1.074 -13.056 0.725 1.00 50.34 N ATOM 295 CA PRO A 19 0.335 -14.352 0.751 1.00 74.43 C ATOM 296 C PRO A 19 -0.941 -14.330 1.630 1.00 32.34 C ATOM 297 O PRO A 19 -1.594 -15.367 1.793 1.00 42.34 O ATOM 298 CB PRO A 19 1.392 -15.348 1.295 1.00 3.11 C ATOM 299 CG PRO A 19 2.313 -14.508 2.123 1.00 34.22 C ATOM 300 CD PRO A 19 2.388 -13.167 1.424 1.00 71.24 C ATOM 0 HA PRO A 19 -0.051 -14.615 -0.234 1.00 74.43 H new ATOM 0 HB2 PRO A 19 0.927 -16.132 1.892 1.00 3.11 H new ATOM 0 HB3 PRO A 19 1.927 -15.840 0.483 1.00 3.11 H new ATOM 0 HG2 PRO A 19 1.935 -14.399 3.139 1.00 34.22 H new ATOM 0 HG3 PRO A 19 3.299 -14.966 2.197 1.00 34.22 H new ATOM 0 HD2 PRO A 19 2.533 -12.353 2.134 1.00 71.24 H new ATOM 0 HD3 PRO A 19 3.220 -13.128 0.721 1.00 71.24 H new ATOM 308 N ASN A 20 -1.271 -13.155 2.200 1.00 30.11 N ATOM 309 CA ASN A 20 -2.546 -12.907 2.905 1.00 70.43 C ATOM 310 C ASN A 20 -2.827 -11.381 2.950 1.00 51.54 C ATOM 311 O ASN A 20 -1.886 -10.588 3.121 1.00 23.11 O ATOM 312 CB ASN A 20 -2.573 -13.525 4.341 1.00 23.33 C ATOM 313 CG ASN A 20 -1.511 -12.997 5.318 1.00 63.01 C ATOM 314 OD1 ASN A 20 -0.283 -12.818 4.860 1.00 10.30 O flip ATOM 315 ND2 ASN A 20 -1.783 -12.800 6.502 1.00 30.34 N flip ATOM 0 H ASN A 20 -0.655 -12.342 2.184 1.00 30.11 H new ATOM 0 HA ASN A 20 -3.337 -13.407 2.345 1.00 70.43 H new ATOM 0 HB2 ASN A 20 -3.558 -13.347 4.774 1.00 23.33 H new ATOM 0 HB3 ASN A 20 -2.454 -14.605 4.253 1.00 23.33 H new ATOM 0 HD21 ASN A 20 -2.736 -12.943 6.837 1.00 30.34 H new ATOM 0 HD22 ASN A 20 -1.056 -12.493 7.148 1.00 30.34 H new ATOM 322 N PRO A 21 -4.130 -10.949 2.777 1.00 50.14 N ATOM 323 CA PRO A 21 -4.543 -9.517 2.850 1.00 21.01 C ATOM 324 C PRO A 21 -4.166 -8.808 4.173 1.00 12.22 C ATOM 325 O PRO A 21 -4.088 -7.587 4.195 1.00 21.01 O ATOM 326 CB PRO A 21 -6.082 -9.564 2.668 1.00 74.12 C ATOM 327 CG PRO A 21 -6.329 -10.833 1.914 1.00 2.14 C ATOM 328 CD PRO A 21 -5.299 -11.816 2.435 1.00 21.01 C ATOM 0 HA PRO A 21 -4.023 -8.931 2.092 1.00 21.01 H new ATOM 0 HB2 PRO A 21 -6.596 -9.566 3.629 1.00 74.12 H new ATOM 0 HB3 PRO A 21 -6.443 -8.697 2.116 1.00 74.12 H new ATOM 0 HG2 PRO A 21 -7.342 -11.199 2.082 1.00 2.14 H new ATOM 0 HG3 PRO A 21 -6.219 -10.680 0.840 1.00 2.14 H new ATOM 0 HD2 PRO A 21 -5.666 -12.357 3.307 1.00 21.01 H new ATOM 0 HD3 PRO A 21 -5.039 -12.561 1.683 1.00 21.01 H new ATOM 336 N GLU A 22 -3.926 -9.589 5.253 1.00 74.43 N ATOM 337 CA GLU A 22 -3.564 -9.059 6.591 1.00 30.40 C ATOM 338 C GLU A 22 -2.282 -8.212 6.509 1.00 44.51 C ATOM 339 O GLU A 22 -2.238 -7.075 7.009 1.00 41.51 O ATOM 340 CB GLU A 22 -3.399 -10.250 7.587 1.00 62.04 C ATOM 341 CG GLU A 22 -3.284 -9.892 9.100 1.00 52.51 C ATOM 342 CD GLU A 22 -1.924 -9.305 9.550 1.00 21.14 C ATOM 343 OE1 GLU A 22 -0.866 -9.850 9.169 1.00 22.20 O ATOM 344 OE2 GLU A 22 -1.907 -8.298 10.282 1.00 65.04 O ATOM 0 H GLU A 22 -3.978 -10.607 5.222 1.00 74.43 H new ATOM 0 HA GLU A 22 -4.359 -8.407 6.954 1.00 30.40 H new ATOM 0 HB2 GLU A 22 -4.250 -10.919 7.460 1.00 62.04 H new ATOM 0 HB3 GLU A 22 -2.508 -10.810 7.302 1.00 62.04 H new ATOM 0 HG2 GLU A 22 -4.067 -9.175 9.345 1.00 52.51 H new ATOM 0 HG3 GLU A 22 -3.481 -10.791 9.683 1.00 52.51 H new ATOM 351 N GLU A 23 -1.249 -8.775 5.851 1.00 24.32 N ATOM 352 CA GLU A 23 0.029 -8.075 5.633 1.00 52.35 C ATOM 353 C GLU A 23 -0.150 -6.889 4.674 1.00 45.11 C ATOM 354 O GLU A 23 0.515 -5.866 4.836 1.00 12.14 O ATOM 355 CB GLU A 23 1.119 -9.030 5.111 1.00 33.00 C ATOM 356 CG GLU A 23 1.491 -10.173 6.065 1.00 11.52 C ATOM 357 CD GLU A 23 2.629 -11.036 5.505 1.00 52.14 C ATOM 358 OE1 GLU A 23 2.400 -11.767 4.520 1.00 41.34 O ATOM 359 OE2 GLU A 23 3.764 -10.962 6.018 1.00 44.25 O ATOM 0 H GLU A 23 -1.277 -9.717 5.460 1.00 24.32 H new ATOM 0 HA GLU A 23 0.357 -7.692 6.600 1.00 52.35 H new ATOM 0 HB2 GLU A 23 0.783 -9.459 4.167 1.00 33.00 H new ATOM 0 HB3 GLU A 23 2.016 -8.450 4.896 1.00 33.00 H new ATOM 0 HG2 GLU A 23 1.789 -9.760 7.029 1.00 11.52 H new ATOM 0 HG3 GLU A 23 0.615 -10.797 6.243 1.00 11.52 H new ATOM 366 N VAL A 24 -1.074 -7.035 3.700 1.00 1.43 N ATOM 367 CA VAL A 24 -1.387 -5.965 2.735 1.00 33.44 C ATOM 368 C VAL A 24 -1.986 -4.734 3.450 1.00 41.13 C ATOM 369 O VAL A 24 -1.690 -3.614 3.063 1.00 3.53 O ATOM 370 CB VAL A 24 -2.368 -6.442 1.598 1.00 65.23 C ATOM 371 CG1 VAL A 24 -2.719 -5.287 0.641 1.00 64.14 C ATOM 372 CG2 VAL A 24 -1.797 -7.636 0.807 1.00 41.35 C ATOM 0 H VAL A 24 -1.617 -7.888 3.563 1.00 1.43 H new ATOM 0 HA VAL A 24 -0.442 -5.691 2.266 1.00 33.44 H new ATOM 0 HB VAL A 24 -3.282 -6.774 2.091 1.00 65.23 H new ATOM 0 HG11 VAL A 24 -3.397 -5.648 -0.132 1.00 64.14 H new ATOM 0 HG12 VAL A 24 -3.201 -4.485 1.200 1.00 64.14 H new ATOM 0 HG13 VAL A 24 -1.808 -4.910 0.177 1.00 64.14 H new ATOM 0 HG21 VAL A 24 -2.506 -7.932 0.033 1.00 41.35 H new ATOM 0 HG22 VAL A 24 -0.853 -7.348 0.344 1.00 41.35 H new ATOM 0 HG23 VAL A 24 -1.628 -8.473 1.484 1.00 41.35 H new ATOM 382 N GLU A 25 -2.808 -4.962 4.503 1.00 45.44 N ATOM 383 CA GLU A 25 -3.424 -3.865 5.294 1.00 24.10 C ATOM 384 C GLU A 25 -2.344 -2.921 5.835 1.00 44.41 C ATOM 385 O GLU A 25 -2.437 -1.695 5.712 1.00 62.14 O ATOM 386 CB GLU A 25 -4.238 -4.416 6.496 1.00 42.13 C ATOM 387 CG GLU A 25 -5.334 -5.429 6.144 1.00 5.31 C ATOM 388 CD GLU A 25 -6.372 -4.887 5.156 1.00 43.31 C ATOM 389 OE1 GLU A 25 -7.270 -4.124 5.585 1.00 12.33 O ATOM 390 OE2 GLU A 25 -6.298 -5.212 3.952 1.00 23.31 O ATOM 0 H GLU A 25 -3.061 -5.896 4.826 1.00 45.44 H new ATOM 0 HA GLU A 25 -4.094 -3.327 4.624 1.00 24.10 H new ATOM 0 HB2 GLU A 25 -3.546 -4.884 7.196 1.00 42.13 H new ATOM 0 HB3 GLU A 25 -4.698 -3.576 7.016 1.00 42.13 H new ATOM 0 HG2 GLU A 25 -4.871 -6.320 5.720 1.00 5.31 H new ATOM 0 HG3 GLU A 25 -5.841 -5.737 7.059 1.00 5.31 H new ATOM 397 N LYS A 26 -1.306 -3.550 6.399 1.00 3.33 N ATOM 398 CA LYS A 26 -0.186 -2.868 7.042 1.00 54.52 C ATOM 399 C LYS A 26 0.712 -2.182 5.989 1.00 24.31 C ATOM 400 O LYS A 26 0.992 -0.999 6.107 1.00 74.03 O ATOM 401 CB LYS A 26 0.591 -3.894 7.907 1.00 34.00 C ATOM 402 CG LYS A 26 -0.274 -4.507 9.041 1.00 62.34 C ATOM 403 CD LYS A 26 0.444 -5.623 9.839 1.00 73.32 C ATOM 404 CE LYS A 26 0.853 -6.818 8.966 1.00 72.21 C ATOM 405 NZ LYS A 26 1.355 -7.969 9.772 1.00 72.22 N ATOM 0 H LYS A 26 -1.223 -4.566 6.419 1.00 3.33 H new ATOM 0 HA LYS A 26 -0.551 -2.076 7.695 1.00 54.52 H new ATOM 0 HB2 LYS A 26 0.962 -4.694 7.267 1.00 34.00 H new ATOM 0 HB3 LYS A 26 1.462 -3.407 8.345 1.00 34.00 H new ATOM 0 HG2 LYS A 26 -0.570 -3.715 9.728 1.00 62.34 H new ATOM 0 HG3 LYS A 26 -1.189 -4.913 8.609 1.00 62.34 H new ATOM 0 HD2 LYS A 26 1.332 -5.207 10.315 1.00 73.32 H new ATOM 0 HD3 LYS A 26 -0.212 -5.971 10.637 1.00 73.32 H new ATOM 0 HE2 LYS A 26 -0.003 -7.140 8.372 1.00 72.21 H new ATOM 0 HE3 LYS A 26 1.627 -6.504 8.265 1.00 72.21 H new ATOM 0 HZ1 LYS A 26 2.280 -8.272 9.406 1.00 72.22 H new ATOM 0 HZ2 LYS A 26 1.454 -7.680 10.766 1.00 72.22 H new ATOM 0 HZ3 LYS A 26 0.681 -8.759 9.707 1.00 72.22 H new ATOM 419 N GLU A 27 1.073 -2.928 4.923 1.00 63.35 N ATOM 420 CA GLU A 27 1.939 -2.440 3.822 1.00 10.40 C ATOM 421 C GLU A 27 1.314 -1.231 3.108 1.00 61.11 C ATOM 422 O GLU A 27 1.992 -0.234 2.850 1.00 21.44 O ATOM 423 CB GLU A 27 2.201 -3.583 2.795 1.00 21.34 C ATOM 424 CG GLU A 27 3.158 -4.682 3.294 1.00 3.33 C ATOM 425 CD GLU A 27 4.607 -4.184 3.473 1.00 1.22 C ATOM 426 OE1 GLU A 27 5.368 -4.173 2.477 1.00 22.24 O ATOM 427 OE2 GLU A 27 4.996 -3.807 4.602 1.00 64.04 O ATOM 0 H GLU A 27 0.770 -3.894 4.799 1.00 63.35 H new ATOM 0 HA GLU A 27 2.885 -2.123 4.261 1.00 10.40 H new ATOM 0 HB2 GLU A 27 1.248 -4.041 2.530 1.00 21.34 H new ATOM 0 HB3 GLU A 27 2.611 -3.148 1.883 1.00 21.34 H new ATOM 0 HG2 GLU A 27 2.793 -5.070 4.245 1.00 3.33 H new ATOM 0 HG3 GLU A 27 3.150 -5.512 2.587 1.00 3.33 H new ATOM 434 N ALA A 28 0.006 -1.339 2.836 1.00 41.14 N ATOM 435 CA ALA A 28 -0.748 -0.330 2.088 1.00 1.33 C ATOM 436 C ALA A 28 -0.855 0.969 2.877 1.00 63.22 C ATOM 437 O ALA A 28 -0.506 2.033 2.365 1.00 11.14 O ATOM 438 CB ALA A 28 -2.140 -0.861 1.713 1.00 23.40 C ATOM 0 H ALA A 28 -0.560 -2.135 3.132 1.00 41.14 H new ATOM 0 HA ALA A 28 -0.206 -0.116 1.167 1.00 1.33 H new ATOM 0 HB1 ALA A 28 -2.684 -0.096 1.158 1.00 23.40 H new ATOM 0 HB2 ALA A 28 -2.035 -1.752 1.095 1.00 23.40 H new ATOM 0 HB3 ALA A 28 -2.690 -1.111 2.620 1.00 23.40 H new ATOM 444 N ARG A 29 -1.305 0.859 4.146 1.00 70.02 N ATOM 445 CA ARG A 29 -1.520 2.031 5.007 1.00 12.52 C ATOM 446 C ARG A 29 -0.190 2.727 5.331 1.00 71.33 C ATOM 447 O ARG A 29 -0.135 3.949 5.369 1.00 4.23 O ATOM 448 CB ARG A 29 -2.270 1.649 6.309 1.00 24.33 C ATOM 449 CG ARG A 29 -1.439 0.846 7.342 1.00 42.44 C ATOM 450 CD ARG A 29 -2.250 0.422 8.570 1.00 10.21 C ATOM 451 NE ARG A 29 -1.456 -0.400 9.493 1.00 21.14 N ATOM 452 CZ ARG A 29 -1.968 -1.250 10.394 1.00 33.14 C ATOM 453 NH1 ARG A 29 -3.283 -1.421 10.514 1.00 73.41 N ATOM 454 NH2 ARG A 29 -1.149 -1.916 11.183 1.00 73.21 N ATOM 0 H ARG A 29 -1.525 -0.032 4.592 1.00 70.02 H new ATOM 0 HA ARG A 29 -2.147 2.731 4.455 1.00 12.52 H new ATOM 0 HB2 ARG A 29 -2.626 2.563 6.785 1.00 24.33 H new ATOM 0 HB3 ARG A 29 -3.151 1.065 6.043 1.00 24.33 H new ATOM 0 HG2 ARG A 29 -1.032 -0.042 6.859 1.00 42.44 H new ATOM 0 HG3 ARG A 29 -0.591 1.450 7.665 1.00 42.44 H new ATOM 0 HD2 ARG A 29 -2.610 1.309 9.091 1.00 10.21 H new ATOM 0 HD3 ARG A 29 -3.129 -0.138 8.249 1.00 10.21 H new ATOM 0 HE ARG A 29 -0.440 -0.318 9.445 1.00 21.14 H new ATOM 0 HH11 ARG A 29 -3.922 -0.900 9.913 1.00 73.41 H new ATOM 0 HH12 ARG A 29 -3.651 -2.073 11.206 1.00 73.41 H new ATOM 0 HH21 ARG A 29 -0.141 -1.781 11.103 1.00 73.21 H new ATOM 0 HH22 ARG A 29 -1.523 -2.567 11.874 1.00 73.21 H new ATOM 468 N ARG A 30 0.887 1.921 5.522 1.00 62.45 N ATOM 469 CA ARG A 30 2.232 2.451 5.790 1.00 21.00 C ATOM 470 C ARG A 30 2.725 3.266 4.600 1.00 31.44 C ATOM 471 O ARG A 30 3.184 4.394 4.769 1.00 50.33 O ATOM 472 CB ARG A 30 3.261 1.331 6.127 1.00 63.23 C ATOM 473 CG ARG A 30 3.154 0.695 7.533 1.00 73.21 C ATOM 474 CD ARG A 30 3.260 1.703 8.699 1.00 51.45 C ATOM 475 NE ARG A 30 1.945 2.263 9.084 1.00 4.40 N ATOM 476 CZ ARG A 30 1.645 3.565 9.133 1.00 14.22 C ATOM 477 NH1 ARG A 30 2.547 4.484 8.808 1.00 22.33 N ATOM 478 NH2 ARG A 30 0.433 3.945 9.494 1.00 43.45 N ATOM 0 H ARG A 30 0.840 0.902 5.494 1.00 62.45 H new ATOM 0 HA ARG A 30 2.151 3.092 6.668 1.00 21.00 H new ATOM 0 HB2 ARG A 30 3.158 0.539 5.386 1.00 63.23 H new ATOM 0 HB3 ARG A 30 4.264 1.744 6.015 1.00 63.23 H new ATOM 0 HG2 ARG A 30 2.202 0.169 7.609 1.00 73.21 H new ATOM 0 HG3 ARG A 30 3.941 -0.052 7.642 1.00 73.21 H new ATOM 0 HD2 ARG A 30 3.708 1.210 9.562 1.00 51.45 H new ATOM 0 HD3 ARG A 30 3.928 2.516 8.413 1.00 51.45 H new ATOM 0 HE ARG A 30 1.208 1.602 9.332 1.00 4.40 H new ATOM 0 HH11 ARG A 30 3.482 4.200 8.516 1.00 22.33 H new ATOM 0 HH12 ARG A 30 2.304 5.474 8.850 1.00 22.33 H new ATOM 0 HH21 ARG A 30 -0.270 3.246 9.734 1.00 43.45 H new ATOM 0 HH22 ARG A 30 0.200 4.937 9.533 1.00 43.45 H new ATOM 492 N THR A 31 2.574 2.697 3.388 1.00 73.23 N ATOM 493 CA THR A 31 2.967 3.386 2.148 1.00 24.02 C ATOM 494 C THR A 31 2.208 4.730 2.005 1.00 62.12 C ATOM 495 O THR A 31 2.834 5.775 1.866 1.00 65.21 O ATOM 496 CB THR A 31 2.762 2.486 0.884 1.00 14.40 C ATOM 497 OG1 THR A 31 3.440 1.236 1.068 1.00 54.34 O ATOM 498 CG2 THR A 31 3.306 3.152 -0.394 1.00 14.21 C ATOM 0 H THR A 31 2.184 1.766 3.244 1.00 73.23 H new ATOM 0 HA THR A 31 4.034 3.598 2.217 1.00 24.02 H new ATOM 0 HB THR A 31 1.689 2.334 0.765 1.00 14.40 H new ATOM 0 HG1 THR A 31 3.026 0.745 1.808 1.00 54.34 H new ATOM 0 HG21 THR A 31 3.142 2.492 -1.246 1.00 14.21 H new ATOM 0 HG22 THR A 31 2.787 4.096 -0.561 1.00 14.21 H new ATOM 0 HG23 THR A 31 4.374 3.340 -0.280 1.00 14.21 H new ATOM 506 N LYS A 32 0.871 4.675 2.167 1.00 31.30 N ATOM 507 CA LYS A 32 -0.029 5.851 2.071 1.00 12.50 C ATOM 508 C LYS A 32 0.389 6.990 3.034 1.00 24.44 C ATOM 509 O LYS A 32 0.481 8.157 2.617 1.00 14.33 O ATOM 510 CB LYS A 32 -1.502 5.414 2.353 1.00 71.42 C ATOM 511 CG LYS A 32 -2.134 4.513 1.259 1.00 3.23 C ATOM 512 CD LYS A 32 -2.378 5.252 -0.078 1.00 70.42 C ATOM 513 CE LYS A 32 -3.384 6.400 0.074 1.00 5.13 C ATOM 514 NZ LYS A 32 -3.631 7.107 -1.202 1.00 25.21 N ATOM 0 H LYS A 32 0.377 3.806 2.370 1.00 31.30 H new ATOM 0 HA LYS A 32 0.049 6.245 1.058 1.00 12.50 H new ATOM 0 HB2 LYS A 32 -1.533 4.882 3.304 1.00 71.42 H new ATOM 0 HB3 LYS A 32 -2.116 6.308 2.467 1.00 71.42 H new ATOM 0 HG2 LYS A 32 -1.481 3.659 1.080 1.00 3.23 H new ATOM 0 HG3 LYS A 32 -3.081 4.118 1.626 1.00 3.23 H new ATOM 0 HD2 LYS A 32 -1.433 5.646 -0.452 1.00 70.42 H new ATOM 0 HD3 LYS A 32 -2.745 4.544 -0.821 1.00 70.42 H new ATOM 0 HE2 LYS A 32 -4.326 6.006 0.456 1.00 5.13 H new ATOM 0 HE3 LYS A 32 -3.012 7.110 0.813 1.00 5.13 H new ATOM 0 HZ1 LYS A 32 -3.128 8.017 -1.198 1.00 25.21 H new ATOM 0 HZ2 LYS A 32 -3.288 6.526 -1.993 1.00 25.21 H new ATOM 0 HZ3 LYS A 32 -4.651 7.276 -1.313 1.00 25.21 H new ATOM 528 N GLU A 33 0.667 6.628 4.305 1.00 51.53 N ATOM 529 CA GLU A 33 1.053 7.598 5.348 1.00 25.22 C ATOM 530 C GLU A 33 2.414 8.235 5.036 1.00 64.12 C ATOM 531 O GLU A 33 2.528 9.451 4.967 1.00 13.51 O ATOM 532 CB GLU A 33 1.107 6.917 6.743 1.00 41.32 C ATOM 533 CG GLU A 33 -0.247 6.415 7.271 1.00 25.11 C ATOM 534 CD GLU A 33 -1.281 7.529 7.485 1.00 30.23 C ATOM 535 OE1 GLU A 33 -1.156 8.281 8.479 1.00 63.23 O ATOM 536 OE2 GLU A 33 -2.223 7.662 6.676 1.00 70.41 O ATOM 0 H GLU A 33 0.630 5.663 4.633 1.00 51.53 H new ATOM 0 HA GLU A 33 0.294 8.380 5.362 1.00 25.22 H new ATOM 0 HB2 GLU A 33 1.796 6.074 6.693 1.00 41.32 H new ATOM 0 HB3 GLU A 33 1.521 7.625 7.461 1.00 41.32 H new ATOM 0 HG2 GLU A 33 -0.652 5.686 6.569 1.00 25.11 H new ATOM 0 HG3 GLU A 33 -0.088 5.894 8.215 1.00 25.11 H new ATOM 543 N GLU A 34 3.421 7.382 4.824 1.00 51.45 N ATOM 544 CA GLU A 34 4.807 7.787 4.539 1.00 23.24 C ATOM 545 C GLU A 34 4.943 8.639 3.249 1.00 13.42 C ATOM 546 O GLU A 34 5.948 9.343 3.087 1.00 1.24 O ATOM 547 CB GLU A 34 5.732 6.531 4.485 1.00 10.52 C ATOM 548 CG GLU A 34 6.233 6.003 5.858 1.00 61.45 C ATOM 549 CD GLU A 34 5.152 5.435 6.806 1.00 21.34 C ATOM 550 OE1 GLU A 34 4.368 6.217 7.385 1.00 64.42 O ATOM 551 OE2 GLU A 34 5.107 4.203 7.014 1.00 74.41 O ATOM 0 H GLU A 34 3.296 6.370 4.845 1.00 51.45 H new ATOM 0 HA GLU A 34 5.125 8.433 5.357 1.00 23.24 H new ATOM 0 HB2 GLU A 34 5.194 5.728 3.982 1.00 10.52 H new ATOM 0 HB3 GLU A 34 6.600 6.768 3.869 1.00 10.52 H new ATOM 0 HG2 GLU A 34 6.973 5.224 5.676 1.00 61.45 H new ATOM 0 HG3 GLU A 34 6.746 6.816 6.371 1.00 61.45 H new ATOM 558 N GLU A 35 3.955 8.570 2.336 1.00 10.23 N ATOM 559 CA GLU A 35 3.934 9.430 1.132 1.00 62.14 C ATOM 560 C GLU A 35 3.475 10.862 1.462 1.00 1.21 C ATOM 561 O GLU A 35 3.870 11.817 0.790 1.00 44.53 O ATOM 562 CB GLU A 35 3.068 8.802 0.010 1.00 44.13 C ATOM 563 CG GLU A 35 3.622 7.470 -0.552 1.00 32.30 C ATOM 564 CD GLU A 35 5.043 7.567 -1.147 1.00 21.44 C ATOM 565 OE1 GLU A 35 6.034 7.503 -0.385 1.00 51.42 O ATOM 566 OE2 GLU A 35 5.179 7.694 -2.379 1.00 42.35 O ATOM 0 H GLU A 35 3.163 7.931 2.407 1.00 10.23 H new ATOM 0 HA GLU A 35 4.957 9.498 0.763 1.00 62.14 H new ATOM 0 HB2 GLU A 35 2.063 8.630 0.396 1.00 44.13 H new ATOM 0 HB3 GLU A 35 2.978 9.518 -0.807 1.00 44.13 H new ATOM 0 HG2 GLU A 35 3.626 6.728 0.246 1.00 32.30 H new ATOM 0 HG3 GLU A 35 2.943 7.106 -1.323 1.00 32.30 H new ATOM 573 N CYS A 36 2.646 11.007 2.502 1.00 61.41 N ATOM 574 CA CYS A 36 2.211 12.327 3.013 1.00 31.41 C ATOM 575 C CYS A 36 3.006 12.747 4.269 1.00 65.42 C ATOM 576 O CYS A 36 2.815 13.846 4.788 1.00 72.21 O ATOM 577 CB CYS A 36 0.699 12.298 3.314 1.00 61.03 C ATOM 578 SG CYS A 36 -0.332 11.923 1.867 1.00 72.04 S ATOM 0 H CYS A 36 2.254 10.219 3.017 1.00 61.41 H new ATOM 0 HA CYS A 36 2.411 13.070 2.241 1.00 31.41 H new ATOM 0 HB2 CYS A 36 0.507 11.554 4.087 1.00 61.03 H new ATOM 0 HB3 CYS A 36 0.401 13.265 3.720 1.00 61.03 H new