USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 15 GLN : amide:sc= -0.0914 K(o=-0.091,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 0.537 (180deg=-0.242) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 108:sc= -0.224 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.406 -1.125 0.259 1.00 52.41 N ATOM 2 CA GLY A 1 2.153 -0.384 -0.963 1.00 42.41 C ATOM 3 C GLY A 1 1.435 -1.215 -2.007 1.00 54.12 C ATOM 4 O GLY A 1 0.222 -1.414 -1.927 1.00 0.25 O ATOM 0 H1 GLY A 1 2.899 -0.513 0.940 1.00 52.41 H new ATOM 0 H2 GLY A 1 1.503 -1.441 0.667 1.00 52.41 H new ATOM 0 H3 GLY A 1 2.998 -1.953 0.047 1.00 52.41 H new ATOM 0 HA2 GLY A 1 1.556 0.498 -0.732 1.00 42.41 H new ATOM 0 HA3 GLY A 1 3.099 -0.031 -1.372 1.00 42.41 H new ATOM 8 N CYS A 2 2.183 -1.701 -2.992 1.00 12.02 N ATOM 9 CA CYS A 2 1.610 -2.514 -4.058 1.00 44.33 C ATOM 10 C CYS A 2 2.119 -3.950 -3.980 1.00 63.23 C ATOM 11 O CYS A 2 3.089 -4.240 -3.278 1.00 34.04 O ATOM 12 CB CYS A 2 1.951 -1.914 -5.424 1.00 10.31 C ATOM 13 SG CYS A 2 3.733 -1.658 -5.700 1.00 64.32 S ATOM 0 H CYS A 2 3.188 -1.546 -3.074 1.00 12.02 H new ATOM 0 HA CYS A 2 0.527 -2.524 -3.932 1.00 44.33 H new ATOM 0 HB2 CYS A 2 1.564 -2.570 -6.204 1.00 10.31 H new ATOM 0 HB3 CYS A 2 1.437 -0.958 -5.528 1.00 10.31 H new ATOM 18 N LEU A 3 1.460 -4.846 -4.707 1.00 15.35 N ATOM 19 CA LEU A 3 1.844 -6.253 -4.721 1.00 5.32 C ATOM 20 C LEU A 3 2.840 -6.534 -5.842 1.00 13.30 C ATOM 21 O LEU A 3 2.593 -6.205 -7.002 1.00 30.34 O ATOM 22 CB LEU A 3 0.608 -7.138 -4.887 1.00 23.32 C ATOM 23 CG LEU A 3 -0.513 -6.923 -3.870 1.00 52.10 C ATOM 24 CD1 LEU A 3 -1.856 -7.321 -4.464 1.00 4.14 C ATOM 25 CD2 LEU A 3 -0.237 -7.709 -2.597 1.00 21.13 C ATOM 0 H LEU A 3 0.657 -4.623 -5.295 1.00 15.35 H new ATOM 0 HA LEU A 3 2.322 -6.483 -3.769 1.00 5.32 H new ATOM 0 HB2 LEU A 3 0.202 -6.976 -5.885 1.00 23.32 H new ATOM 0 HB3 LEU A 3 0.923 -8.180 -4.836 1.00 23.32 H new ATOM 0 HG LEU A 3 -0.550 -5.863 -3.618 1.00 52.10 H new ATOM 0 HD11 LEU A 3 -2.642 -7.161 -3.726 1.00 4.14 H new ATOM 0 HD12 LEU A 3 -2.058 -6.714 -5.346 1.00 4.14 H new ATOM 0 HD13 LEU A 3 -1.832 -8.374 -4.746 1.00 4.14 H new ATOM 0 HD21 LEU A 3 -1.045 -7.544 -1.885 1.00 21.13 H new ATOM 0 HD22 LEU A 3 -0.172 -8.771 -2.832 1.00 21.13 H new ATOM 0 HD23 LEU A 3 0.705 -7.376 -2.161 1.00 21.13 H new ATOM 37 N GLY A 4 3.966 -7.146 -5.488 1.00 14.04 N ATOM 38 CA GLY A 4 4.980 -7.463 -6.475 1.00 43.05 C ATOM 39 C GLY A 4 4.461 -8.379 -7.566 1.00 44.11 C ATOM 40 O GLY A 4 3.259 -8.631 -7.654 1.00 43.13 O ATOM 0 H GLY A 4 4.194 -7.428 -4.534 1.00 14.04 H new ATOM 0 HA2 GLY A 4 5.347 -6.540 -6.924 1.00 43.05 H new ATOM 0 HA3 GLY A 4 5.828 -7.936 -5.981 1.00 43.05 H new ATOM 44 N ILE A 5 5.369 -8.877 -8.400 1.00 14.24 N ATOM 45 CA ILE A 5 4.995 -9.769 -9.490 1.00 22.10 C ATOM 46 C ILE A 5 4.825 -11.201 -8.994 1.00 74.14 C ATOM 47 O ILE A 5 5.515 -11.637 -8.073 1.00 62.21 O ATOM 48 CB ILE A 5 6.044 -9.750 -10.618 1.00 11.43 C ATOM 49 CG1 ILE A 5 5.585 -10.624 -11.786 1.00 54.02 C ATOM 50 CG2 ILE A 5 7.393 -10.221 -10.095 1.00 12.42 C ATOM 51 CD1 ILE A 5 6.498 -10.553 -12.990 1.00 2.03 C ATOM 0 H ILE A 5 6.368 -8.678 -8.341 1.00 14.24 H new ATOM 0 HA ILE A 5 4.045 -9.407 -9.882 1.00 22.10 H new ATOM 0 HB ILE A 5 6.152 -8.726 -10.976 1.00 11.43 H new ATOM 0 HG12 ILE A 5 5.519 -11.659 -11.451 1.00 54.02 H new ATOM 0 HG13 ILE A 5 4.581 -10.321 -12.083 1.00 54.02 H new ATOM 0 HG21 ILE A 5 8.124 -10.202 -10.904 1.00 12.42 H new ATOM 0 HG22 ILE A 5 7.723 -9.561 -9.293 1.00 12.42 H new ATOM 0 HG23 ILE A 5 7.300 -11.238 -9.714 1.00 12.42 H new ATOM 0 HD11 ILE A 5 6.111 -11.198 -13.779 1.00 2.03 H new ATOM 0 HD12 ILE A 5 6.545 -9.526 -13.351 1.00 2.03 H new ATOM 0 HD13 ILE A 5 7.498 -10.885 -12.709 1.00 2.03 H new ATOM 63 N PHE A 6 3.901 -11.929 -9.613 1.00 62.52 N ATOM 64 CA PHE A 6 3.640 -13.314 -9.236 1.00 11.41 C ATOM 65 C PHE A 6 3.253 -13.412 -7.763 1.00 71.22 C ATOM 66 O PHE A 6 3.704 -14.308 -7.049 1.00 74.22 O ATOM 67 CB PHE A 6 4.871 -14.180 -9.511 1.00 35.44 C ATOM 68 CG PHE A 6 5.142 -14.390 -10.973 1.00 32.11 C ATOM 69 CD1 PHE A 6 4.122 -14.763 -11.834 1.00 22.24 C ATOM 70 CD2 PHE A 6 6.417 -14.215 -11.487 1.00 14.34 C ATOM 71 CE1 PHE A 6 4.368 -14.957 -13.180 1.00 3.30 C ATOM 72 CE2 PHE A 6 6.669 -14.406 -12.832 1.00 34.30 C ATOM 73 CZ PHE A 6 5.644 -14.779 -13.679 1.00 55.14 C ATOM 0 H PHE A 6 3.321 -11.583 -10.377 1.00 62.52 H new ATOM 0 HA PHE A 6 2.807 -13.678 -9.837 1.00 11.41 H new ATOM 0 HB2 PHE A 6 5.743 -13.714 -9.051 1.00 35.44 H new ATOM 0 HB3 PHE A 6 4.738 -15.150 -9.032 1.00 35.44 H new ATOM 0 HD1 PHE A 6 3.123 -14.904 -11.448 1.00 22.24 H new ATOM 0 HD2 PHE A 6 7.223 -13.926 -10.829 1.00 14.34 H new ATOM 0 HE1 PHE A 6 3.564 -15.247 -13.841 1.00 3.30 H new ATOM 0 HE2 PHE A 6 7.667 -14.264 -13.221 1.00 34.30 H new ATOM 0 HZ PHE A 6 5.840 -14.931 -14.730 1.00 55.14 H new ATOM 83 N LYS A 7 2.415 -12.484 -7.315 1.00 14.03 N ATOM 84 CA LYS A 7 1.965 -12.464 -5.928 1.00 32.41 C ATOM 85 C LYS A 7 0.456 -12.674 -5.842 1.00 64.31 C ATOM 86 O LYS A 7 -0.316 -11.962 -6.482 1.00 52.15 O ATOM 87 CB LYS A 7 2.344 -11.138 -5.266 1.00 3.13 C ATOM 88 CG LYS A 7 3.843 -10.908 -5.179 1.00 22.53 C ATOM 89 CD LYS A 7 4.452 -11.644 -3.997 1.00 63.40 C ATOM 90 CE LYS A 7 5.704 -10.945 -3.490 1.00 0.12 C ATOM 91 NZ LYS A 7 6.275 -11.626 -2.295 1.00 71.52 N ATOM 0 H LYS A 7 2.033 -11.735 -7.893 1.00 14.03 H new ATOM 0 HA LYS A 7 2.459 -13.280 -5.401 1.00 32.41 H new ATOM 0 HB2 LYS A 7 1.891 -10.320 -5.826 1.00 3.13 H new ATOM 0 HB3 LYS A 7 1.922 -11.109 -4.262 1.00 3.13 H new ATOM 0 HG2 LYS A 7 4.318 -11.243 -6.101 1.00 22.53 H new ATOM 0 HG3 LYS A 7 4.044 -9.841 -5.087 1.00 22.53 H new ATOM 0 HD2 LYS A 7 3.720 -11.710 -3.192 1.00 63.40 H new ATOM 0 HD3 LYS A 7 4.697 -12.665 -4.290 1.00 63.40 H new ATOM 0 HE2 LYS A 7 6.451 -10.917 -4.283 1.00 0.12 H new ATOM 0 HE3 LYS A 7 5.466 -9.911 -3.240 1.00 0.12 H new ATOM 0 HZ1 LYS A 7 7.127 -11.119 -1.980 1.00 71.52 H new ATOM 0 HZ2 LYS A 7 5.572 -11.630 -1.529 1.00 71.52 H new ATOM 0 HZ3 LYS A 7 6.526 -12.605 -2.540 1.00 71.52 H new ATOM 105 N ALA A 8 0.044 -13.655 -5.046 1.00 23.31 N ATOM 106 CA ALA A 8 -1.372 -13.956 -4.874 1.00 45.00 C ATOM 107 C ALA A 8 -2.161 -12.700 -4.521 1.00 4.21 C ATOM 108 O ALA A 8 -1.652 -11.804 -3.846 1.00 32.24 O ATOM 109 CB ALA A 8 -1.559 -15.018 -3.801 1.00 70.41 C ATOM 0 H ALA A 8 0.671 -14.255 -4.510 1.00 23.31 H new ATOM 0 HA ALA A 8 -1.754 -14.340 -5.820 1.00 45.00 H new ATOM 0 HB1 ALA A 8 -2.621 -15.233 -3.683 1.00 70.41 H new ATOM 0 HB2 ALA A 8 -1.035 -15.928 -4.094 1.00 70.41 H new ATOM 0 HB3 ALA A 8 -1.155 -14.655 -2.856 1.00 70.41 H new ATOM 115 N CYS A 9 -3.405 -12.639 -4.982 1.00 73.30 N ATOM 116 CA CYS A 9 -4.265 -11.492 -4.716 1.00 60.32 C ATOM 117 C CYS A 9 -5.663 -11.717 -5.286 1.00 2.40 C ATOM 118 O CYS A 9 -5.957 -12.777 -5.836 1.00 51.21 O ATOM 119 CB CYS A 9 -3.656 -10.223 -5.314 1.00 51.45 C ATOM 120 SG CYS A 9 -3.047 -10.422 -7.020 1.00 33.22 S ATOM 0 H CYS A 9 -3.841 -13.371 -5.542 1.00 73.30 H new ATOM 0 HA CYS A 9 -4.347 -11.373 -3.636 1.00 60.32 H new ATOM 0 HB2 CYS A 9 -4.405 -9.431 -5.297 1.00 51.45 H new ATOM 0 HB3 CYS A 9 -2.831 -9.896 -4.681 1.00 51.45 H new ATOM 125 N ASN A 10 -6.520 -10.710 -5.150 1.00 2.13 N ATOM 126 CA ASN A 10 -7.887 -10.797 -5.650 1.00 42.23 C ATOM 127 C ASN A 10 -8.147 -9.729 -6.709 1.00 34.33 C ATOM 128 O ASN A 10 -7.712 -8.584 -6.591 1.00 43.22 O ATOM 129 CB ASN A 10 -8.884 -10.644 -4.500 1.00 30.50 C ATOM 130 CG ASN A 10 -8.388 -9.694 -3.427 1.00 73.21 C ATOM 131 OD1 ASN A 10 -7.475 -10.019 -2.668 1.00 61.04 O ATOM 132 ND2 ASN A 10 -8.991 -8.513 -3.359 1.00 43.33 N ATOM 0 H ASN A 10 -6.292 -9.825 -4.698 1.00 2.13 H new ATOM 0 HA ASN A 10 -8.019 -11.778 -6.107 1.00 42.23 H new ATOM 0 HB2 ASN A 10 -9.834 -10.281 -4.892 1.00 30.50 H new ATOM 0 HB3 ASN A 10 -9.075 -11.621 -4.056 1.00 30.50 H new ATOM 0 HD21 ASN A 10 -8.702 -7.832 -2.657 1.00 43.33 H new ATOM 0 HD22 ASN A 10 -9.744 -8.286 -4.009 1.00 43.33 H new ATOM 139 N PRO A 11 -8.876 -10.112 -7.768 1.00 42.31 N ATOM 140 CA PRO A 11 -9.212 -9.202 -8.867 1.00 71.35 C ATOM 141 C PRO A 11 -10.209 -8.128 -8.447 1.00 2.35 C ATOM 142 O PRO A 11 -10.226 -7.031 -9.005 1.00 10.22 O ATOM 143 CB PRO A 11 -9.835 -10.128 -9.916 1.00 3.13 C ATOM 144 CG PRO A 11 -10.365 -11.281 -9.136 1.00 11.14 C ATOM 145 CD PRO A 11 -9.428 -11.461 -7.974 1.00 24.41 C ATOM 0 HA PRO A 11 -8.339 -8.655 -9.224 1.00 71.35 H new ATOM 0 HB2 PRO A 11 -10.629 -9.624 -10.467 1.00 3.13 H new ATOM 0 HB3 PRO A 11 -9.095 -10.452 -10.648 1.00 3.13 H new ATOM 0 HG2 PRO A 11 -11.380 -11.085 -8.792 1.00 11.14 H new ATOM 0 HG3 PRO A 11 -10.404 -12.182 -9.749 1.00 11.14 H new ATOM 0 HD2 PRO A 11 -9.951 -11.821 -7.088 1.00 24.41 H new ATOM 0 HD3 PRO A 11 -8.645 -12.186 -8.198 1.00 24.41 H new ATOM 153 N SER A 12 -11.037 -8.450 -7.458 1.00 54.04 N ATOM 154 CA SER A 12 -12.040 -7.513 -6.965 1.00 4.31 C ATOM 155 C SER A 12 -11.378 -6.279 -6.358 1.00 22.53 C ATOM 156 O SER A 12 -11.933 -5.182 -6.394 1.00 33.52 O ATOM 157 CB SER A 12 -12.933 -8.190 -5.924 1.00 75.25 C ATOM 158 OG SER A 12 -14.185 -7.533 -5.822 1.00 21.21 O ATOM 0 H SER A 12 -11.033 -9.352 -6.983 1.00 54.04 H new ATOM 0 HA SER A 12 -12.653 -7.198 -7.809 1.00 4.31 H new ATOM 0 HB2 SER A 12 -13.088 -9.234 -6.197 1.00 75.25 H new ATOM 0 HB3 SER A 12 -12.435 -8.184 -4.954 1.00 75.25 H new ATOM 0 HG SER A 12 -14.738 -7.985 -5.151 1.00 21.21 H new ATOM 164 N ASN A 13 -10.186 -6.469 -5.800 1.00 34.31 N ATOM 165 CA ASN A 13 -9.448 -5.373 -5.184 1.00 23.14 C ATOM 166 C ASN A 13 -7.981 -5.401 -5.604 1.00 75.04 C ATOM 167 O ASN A 13 -7.084 -5.265 -4.773 1.00 22.11 O ATOM 168 CB ASN A 13 -9.554 -5.452 -3.659 1.00 71.14 C ATOM 169 CG ASN A 13 -9.534 -4.083 -3.007 1.00 23.54 C ATOM 170 OD1 ASN A 13 -8.755 -3.211 -3.392 1.00 23.42 O ATOM 171 ND2 ASN A 13 -10.392 -3.889 -2.013 1.00 34.45 N ATOM 0 H ASN A 13 -9.712 -7.371 -5.762 1.00 34.31 H new ATOM 0 HA ASN A 13 -9.888 -4.436 -5.525 1.00 23.14 H new ATOM 0 HB2 ASN A 13 -10.475 -5.967 -3.388 1.00 71.14 H new ATOM 0 HB3 ASN A 13 -8.729 -6.049 -3.270 1.00 71.14 H new ATOM 0 HD21 ASN A 13 -10.424 -2.988 -1.535 1.00 34.45 H new ATOM 0 HD22 ASN A 13 -11.020 -4.640 -1.727 1.00 34.45 H new ATOM 178 N ASP A 14 -7.747 -5.577 -6.900 1.00 22.41 N ATOM 179 CA ASP A 14 -6.390 -5.621 -7.432 1.00 62.41 C ATOM 180 C ASP A 14 -5.576 -4.426 -6.946 1.00 54.11 C ATOM 181 O ASP A 14 -6.018 -3.282 -7.047 1.00 3.53 O ATOM 182 CB ASP A 14 -6.419 -5.646 -8.961 1.00 74.31 C ATOM 183 CG ASP A 14 -5.097 -5.228 -9.573 1.00 24.24 C ATOM 184 OD1 ASP A 14 -4.043 -5.575 -9.000 1.00 2.33 O ATOM 185 OD2 ASP A 14 -5.115 -4.554 -10.624 1.00 13.43 O ATOM 0 H ASP A 14 -8.479 -5.691 -7.601 1.00 22.41 H new ATOM 0 HA ASP A 14 -5.914 -6.533 -7.070 1.00 62.41 H new ATOM 0 HB2 ASP A 14 -6.671 -6.651 -9.300 1.00 74.31 H new ATOM 0 HB3 ASP A 14 -7.207 -4.982 -9.317 1.00 74.31 H new ATOM 190 N GLN A 15 -4.388 -4.700 -6.418 1.00 62.54 N ATOM 191 CA GLN A 15 -3.514 -3.647 -5.915 1.00 73.02 C ATOM 192 C GLN A 15 -2.058 -3.933 -6.267 1.00 52.25 C ATOM 193 O GLN A 15 -1.149 -3.621 -5.498 1.00 13.55 O ATOM 194 CB GLN A 15 -3.667 -3.509 -4.399 1.00 71.44 C ATOM 195 CG GLN A 15 -4.958 -2.827 -3.978 1.00 13.14 C ATOM 196 CD GLN A 15 -5.318 -3.101 -2.531 1.00 24.24 C ATOM 197 OE1 GLN A 15 -4.864 -4.083 -1.941 1.00 42.45 O ATOM 198 NE2 GLN A 15 -6.137 -2.233 -1.949 1.00 1.00 N ATOM 0 H GLN A 15 -4.008 -5.642 -6.327 1.00 62.54 H new ATOM 0 HA GLN A 15 -3.806 -2.710 -6.389 1.00 73.02 H new ATOM 0 HB2 GLN A 15 -3.625 -4.500 -3.946 1.00 71.44 H new ATOM 0 HB3 GLN A 15 -2.822 -2.943 -4.007 1.00 71.44 H new ATOM 0 HG2 GLN A 15 -4.862 -1.752 -4.127 1.00 13.14 H new ATOM 0 HG3 GLN A 15 -5.770 -3.166 -4.621 1.00 13.14 H new ATOM 0 HE21 GLN A 15 -6.490 -1.433 -2.475 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -6.413 -2.366 -0.976 1.00 1.00 H new ATOM 207 N CYS A 16 -1.843 -4.529 -7.436 1.00 12.44 N ATOM 208 CA CYS A 16 -0.498 -4.858 -7.891 1.00 2.35 C ATOM 209 C CYS A 16 0.295 -3.592 -8.206 1.00 33.33 C ATOM 210 O CYS A 16 -0.264 -2.497 -8.274 1.00 73.20 O ATOM 211 CB CYS A 16 -0.561 -5.755 -9.128 1.00 44.12 C ATOM 212 SG CYS A 16 -1.481 -7.307 -8.876 1.00 1.41 S ATOM 0 H CYS A 16 -2.584 -4.794 -8.085 1.00 12.44 H new ATOM 0 HA CYS A 16 0.010 -5.393 -7.088 1.00 2.35 H new ATOM 0 HB2 CYS A 16 -1.024 -5.199 -9.943 1.00 44.12 H new ATOM 0 HB3 CYS A 16 0.455 -5.994 -9.442 1.00 44.12 H new ATOM 217 N CYS A 17 1.600 -3.751 -8.397 1.00 40.32 N ATOM 218 CA CYS A 17 2.471 -2.623 -8.705 1.00 53.31 C ATOM 219 C CYS A 17 2.288 -2.174 -10.152 1.00 42.30 C ATOM 220 O CYS A 17 3.013 -2.611 -11.046 1.00 71.10 O ATOM 221 CB CYS A 17 3.933 -2.998 -8.457 1.00 1.45 C ATOM 222 SG CYS A 17 4.337 -3.297 -6.706 1.00 35.25 S ATOM 0 H CYS A 17 2.078 -4.650 -8.344 1.00 40.32 H new ATOM 0 HA CYS A 17 2.199 -1.796 -8.049 1.00 53.31 H new ATOM 0 HB2 CYS A 17 4.170 -3.894 -9.031 1.00 1.45 H new ATOM 0 HB3 CYS A 17 4.571 -2.199 -8.835 1.00 1.45 H new ATOM 227 N LYS A 18 1.315 -1.297 -10.375 1.00 72.23 N ATOM 228 CA LYS A 18 1.036 -0.786 -11.712 1.00 63.42 C ATOM 229 C LYS A 18 2.309 -0.267 -12.372 1.00 44.51 C ATOM 230 O LYS A 18 2.468 -0.352 -13.590 1.00 22.32 O ATOM 231 CB LYS A 18 -0.009 0.329 -11.647 1.00 11.43 C ATOM 232 CG LYS A 18 -1.335 -0.113 -11.052 1.00 24.24 C ATOM 233 CD LYS A 18 -2.257 -0.690 -12.112 1.00 71.22 C ATOM 234 CE LYS A 18 -3.325 -1.581 -11.497 1.00 34.11 C ATOM 235 NZ LYS A 18 -2.732 -2.744 -10.781 1.00 35.50 N ATOM 0 H LYS A 18 0.706 -0.925 -9.646 1.00 72.23 H new ATOM 0 HA LYS A 18 0.645 -1.607 -12.313 1.00 63.42 H new ATOM 0 HB2 LYS A 18 0.388 1.154 -11.055 1.00 11.43 H new ATOM 0 HB3 LYS A 18 -0.182 0.713 -12.653 1.00 11.43 H new ATOM 0 HG2 LYS A 18 -1.157 -0.860 -10.278 1.00 24.24 H new ATOM 0 HG3 LYS A 18 -1.820 0.736 -10.570 1.00 24.24 H new ATOM 0 HD2 LYS A 18 -2.732 0.122 -12.663 1.00 71.22 H new ATOM 0 HD3 LYS A 18 -1.672 -1.264 -12.831 1.00 71.22 H new ATOM 0 HE2 LYS A 18 -3.930 -0.997 -10.803 1.00 34.11 H new ATOM 0 HE3 LYS A 18 -3.994 -1.939 -12.279 1.00 34.11 H new ATOM 0 HZ1 LYS A 18 -3.450 -3.488 -10.673 1.00 35.50 H new ATOM 0 HZ2 LYS A 18 -1.929 -3.115 -11.327 1.00 35.50 H new ATOM 0 HZ3 LYS A 18 -2.402 -2.442 -9.842 1.00 35.50 H new ATOM 249 N SER A 19 3.214 0.271 -11.560 1.00 42.34 N ATOM 250 CA SER A 19 4.473 0.807 -12.066 1.00 74.13 C ATOM 251 C SER A 19 5.215 -0.239 -12.893 1.00 51.40 C ATOM 252 O SER A 19 5.868 0.087 -13.884 1.00 73.05 O ATOM 253 CB SER A 19 5.354 1.277 -10.907 1.00 71.14 C ATOM 254 OG SER A 19 4.633 2.123 -10.029 1.00 34.13 O ATOM 0 H SER A 19 3.099 0.347 -10.549 1.00 42.34 H new ATOM 0 HA SER A 19 4.246 1.658 -12.708 1.00 74.13 H new ATOM 0 HB2 SER A 19 5.730 0.413 -10.358 1.00 71.14 H new ATOM 0 HB3 SER A 19 6.222 1.808 -11.298 1.00 71.14 H new ATOM 0 HG SER A 19 5.218 2.408 -9.296 1.00 34.13 H new ATOM 260 N SER A 20 5.109 -1.497 -12.477 1.00 45.31 N ATOM 261 CA SER A 20 5.773 -2.591 -13.176 1.00 3.02 C ATOM 262 C SER A 20 4.806 -3.299 -14.120 1.00 0.04 C ATOM 263 O SER A 20 5.013 -4.456 -14.487 1.00 11.21 O ATOM 264 CB SER A 20 6.348 -3.592 -12.171 1.00 52.42 C ATOM 265 OG SER A 20 7.700 -3.293 -11.870 1.00 12.31 O ATOM 0 H SER A 20 4.570 -1.784 -11.660 1.00 45.31 H new ATOM 0 HA SER A 20 6.587 -2.171 -13.766 1.00 3.02 H new ATOM 0 HB2 SER A 20 5.756 -3.574 -11.256 1.00 52.42 H new ATOM 0 HB3 SER A 20 6.277 -4.601 -12.577 1.00 52.42 H new ATOM 0 HG SER A 20 8.044 -3.946 -11.225 1.00 12.31 H new ATOM 271 N LYS A 21 3.748 -2.596 -14.509 1.00 0.21 N ATOM 272 CA LYS A 21 2.748 -3.154 -15.411 1.00 15.22 C ATOM 273 C LYS A 21 2.277 -4.520 -14.923 1.00 63.52 C ATOM 274 O LYS A 21 2.423 -5.524 -15.622 1.00 74.23 O ATOM 275 CB LYS A 21 3.317 -3.274 -16.826 1.00 42.21 C ATOM 276 CG LYS A 21 2.272 -3.122 -17.918 1.00 32.45 C ATOM 277 CD LYS A 21 1.500 -4.413 -18.133 1.00 74.20 C ATOM 278 CE LYS A 21 0.264 -4.478 -17.249 1.00 11.35 C ATOM 279 NZ LYS A 21 -0.985 -4.229 -18.021 1.00 23.20 N ATOM 0 H LYS A 21 3.561 -1.638 -14.213 1.00 0.21 H new ATOM 0 HA LYS A 21 1.893 -2.479 -15.427 1.00 15.22 H new ATOM 0 HB2 LYS A 21 4.087 -2.515 -16.964 1.00 42.21 H new ATOM 0 HB3 LYS A 21 3.802 -4.244 -16.932 1.00 42.21 H new ATOM 0 HG2 LYS A 21 1.580 -2.323 -17.652 1.00 32.45 H new ATOM 0 HG3 LYS A 21 2.757 -2.827 -18.849 1.00 32.45 H new ATOM 0 HD2 LYS A 21 1.205 -4.491 -19.179 1.00 74.20 H new ATOM 0 HD3 LYS A 21 2.146 -5.264 -17.920 1.00 74.20 H new ATOM 0 HE2 LYS A 21 0.208 -5.458 -16.775 1.00 11.35 H new ATOM 0 HE3 LYS A 21 0.350 -3.741 -16.450 1.00 11.35 H new ATOM 0 HZ1 LYS A 21 -1.804 -4.282 -17.382 1.00 23.20 H new ATOM 0 HZ2 LYS A 21 -0.943 -3.284 -18.453 1.00 23.20 H new ATOM 0 HZ3 LYS A 21 -1.081 -4.947 -18.767 1.00 23.20 H new ATOM 293 N LEU A 22 1.712 -4.552 -13.721 1.00 62.44 N ATOM 294 CA LEU A 22 1.219 -5.796 -13.141 1.00 34.32 C ATOM 295 C LEU A 22 -0.257 -5.678 -12.774 1.00 73.34 C ATOM 296 O LEU A 22 -0.705 -4.643 -12.282 1.00 3.43 O ATOM 297 CB LEU A 22 2.036 -6.163 -11.901 1.00 11.12 C ATOM 298 CG LEU A 22 3.544 -6.302 -12.108 1.00 64.12 C ATOM 299 CD1 LEU A 22 4.300 -5.801 -10.887 1.00 34.11 C ATOM 300 CD2 LEU A 22 3.910 -7.749 -12.408 1.00 4.55 C ATOM 0 H LEU A 22 1.584 -3.731 -13.129 1.00 62.44 H new ATOM 0 HA LEU A 22 1.328 -6.584 -13.887 1.00 34.32 H new ATOM 0 HB2 LEU A 22 1.863 -5.404 -11.138 1.00 11.12 H new ATOM 0 HB3 LEU A 22 1.655 -7.105 -11.505 1.00 11.12 H new ATOM 0 HG LEU A 22 3.831 -5.690 -12.963 1.00 64.12 H new ATOM 0 HD11 LEU A 22 5.372 -5.908 -11.053 1.00 34.11 H new ATOM 0 HD12 LEU A 22 4.062 -4.751 -10.717 1.00 34.11 H new ATOM 0 HD13 LEU A 22 4.008 -6.385 -10.014 1.00 34.11 H new ATOM 0 HD21 LEU A 22 4.987 -7.829 -12.553 1.00 4.55 H new ATOM 0 HD22 LEU A 22 3.608 -8.381 -11.573 1.00 4.55 H new ATOM 0 HD23 LEU A 22 3.397 -8.074 -13.313 1.00 4.55 H new ATOM 312 N VAL A 23 -1.009 -6.747 -13.017 1.00 33.44 N ATOM 313 CA VAL A 23 -2.434 -6.765 -12.709 1.00 74.32 C ATOM 314 C VAL A 23 -2.878 -8.147 -12.242 1.00 14.34 C ATOM 315 O VAL A 23 -2.474 -9.165 -12.804 1.00 44.42 O ATOM 316 CB VAL A 23 -3.277 -6.353 -13.931 1.00 32.33 C ATOM 317 CG1 VAL A 23 -4.761 -6.412 -13.600 1.00 62.04 C ATOM 318 CG2 VAL A 23 -2.883 -4.963 -14.405 1.00 41.21 C ATOM 0 H VAL A 23 -0.655 -7.612 -13.426 1.00 33.44 H new ATOM 0 HA VAL A 23 -2.594 -6.045 -11.907 1.00 74.32 H new ATOM 0 HB VAL A 23 -3.081 -7.057 -14.740 1.00 32.33 H new ATOM 0 HG11 VAL A 23 -5.341 -6.118 -14.475 1.00 62.04 H new ATOM 0 HG12 VAL A 23 -5.029 -7.428 -13.312 1.00 62.04 H new ATOM 0 HG13 VAL A 23 -4.977 -5.732 -12.776 1.00 62.04 H new ATOM 0 HG21 VAL A 23 -3.488 -4.688 -15.269 1.00 41.21 H new ATOM 0 HG22 VAL A 23 -3.048 -4.244 -13.602 1.00 41.21 H new ATOM 0 HG23 VAL A 23 -1.829 -4.959 -14.684 1.00 41.21 H new ATOM 328 N CYS A 24 -3.714 -8.175 -11.209 1.00 20.42 N ATOM 329 CA CYS A 24 -4.214 -9.432 -10.664 1.00 54.31 C ATOM 330 C CYS A 24 -5.291 -10.026 -11.568 1.00 22.01 C ATOM 331 O CYS A 24 -6.395 -9.492 -11.669 1.00 73.11 O ATOM 332 CB CYS A 24 -4.777 -9.214 -9.258 1.00 23.10 C ATOM 333 SG CYS A 24 -4.663 -10.676 -8.177 1.00 60.12 S ATOM 0 H CYS A 24 -4.059 -7.342 -10.733 1.00 20.42 H new ATOM 0 HA CYS A 24 -3.381 -10.133 -10.610 1.00 54.31 H new ATOM 0 HB2 CYS A 24 -4.245 -8.386 -8.789 1.00 23.10 H new ATOM 0 HB3 CYS A 24 -5.822 -8.916 -9.339 1.00 23.10 H new ATOM 338 N SER A 25 -4.960 -11.135 -12.223 1.00 12.54 N ATOM 339 CA SER A 25 -5.897 -11.800 -13.121 1.00 4.03 C ATOM 340 C SER A 25 -6.993 -12.510 -12.333 1.00 73.20 C ATOM 341 O SER A 25 -6.773 -12.959 -11.208 1.00 72.21 O ATOM 342 CB SER A 25 -5.159 -12.804 -14.008 1.00 63.04 C ATOM 343 OG SER A 25 -5.790 -12.929 -15.271 1.00 32.12 O ATOM 0 H SER A 25 -4.051 -11.591 -12.149 1.00 12.54 H new ATOM 0 HA SER A 25 -6.360 -11.041 -13.751 1.00 4.03 H new ATOM 0 HB2 SER A 25 -4.126 -12.483 -14.144 1.00 63.04 H new ATOM 0 HB3 SER A 25 -5.129 -13.776 -13.515 1.00 63.04 H new ATOM 0 HG SER A 25 -5.298 -13.575 -15.820 1.00 32.12 H new ATOM 349 N ARG A 26 -8.175 -12.608 -12.933 1.00 13.33 N ATOM 350 CA ARG A 26 -9.308 -13.262 -12.288 1.00 5.20 C ATOM 351 C ARG A 26 -9.171 -14.780 -12.358 1.00 44.12 C ATOM 352 O ARG A 26 -9.692 -15.501 -11.508 1.00 31.43 O ATOM 353 CB ARG A 26 -10.618 -12.826 -12.946 1.00 70.22 C ATOM 354 CG ARG A 26 -10.707 -11.329 -13.193 1.00 74.22 C ATOM 355 CD ARG A 26 -12.152 -10.856 -13.232 1.00 71.20 C ATOM 356 NE ARG A 26 -12.528 -10.352 -14.550 1.00 61.43 N ATOM 357 CZ ARG A 26 -12.862 -11.137 -15.569 1.00 11.31 C ATOM 358 NH1 ARG A 26 -12.868 -12.454 -15.421 1.00 63.34 N ATOM 359 NH2 ARG A 26 -13.192 -10.603 -16.738 1.00 73.21 N ATOM 0 H ARG A 26 -8.373 -12.243 -13.865 1.00 13.33 H new ATOM 0 HA ARG A 26 -9.319 -12.964 -11.240 1.00 5.20 H new ATOM 0 HB2 ARG A 26 -10.730 -13.350 -13.895 1.00 70.22 H new ATOM 0 HB3 ARG A 26 -11.452 -13.131 -12.314 1.00 70.22 H new ATOM 0 HG2 ARG A 26 -10.170 -10.797 -12.408 1.00 74.22 H new ATOM 0 HG3 ARG A 26 -10.217 -11.085 -14.136 1.00 74.22 H new ATOM 0 HD2 ARG A 26 -12.811 -11.680 -12.958 1.00 71.20 H new ATOM 0 HD3 ARG A 26 -12.297 -10.072 -12.489 1.00 71.20 H new ATOM 0 HE ARG A 26 -12.535 -9.343 -14.696 1.00 61.43 H new ATOM 0 HH11 ARG A 26 -12.616 -12.867 -14.523 1.00 63.34 H new ATOM 0 HH12 ARG A 26 -13.125 -13.054 -16.205 1.00 63.34 H new ATOM 0 HH21 ARG A 26 -13.189 -9.590 -16.855 1.00 73.21 H new ATOM 0 HH22 ARG A 26 -13.448 -11.206 -17.520 1.00 73.21 H new ATOM 373 N LYS A 27 -8.466 -15.259 -13.378 1.00 10.41 N ATOM 374 CA LYS A 27 -8.259 -16.690 -13.560 1.00 61.33 C ATOM 375 C LYS A 27 -6.992 -17.152 -12.847 1.00 33.12 C ATOM 376 O LYS A 27 -6.960 -18.229 -12.250 1.00 72.03 O ATOM 377 CB LYS A 27 -8.170 -17.028 -15.050 1.00 44.13 C ATOM 378 CG LYS A 27 -8.477 -18.482 -15.364 1.00 2.10 C ATOM 379 CD LYS A 27 -7.715 -18.961 -16.588 1.00 71.23 C ATOM 380 CE LYS A 27 -8.030 -20.415 -16.907 1.00 3.13 C ATOM 381 NZ LYS A 27 -7.244 -21.352 -16.056 1.00 40.54 N ATOM 0 H LYS A 27 -8.028 -14.676 -14.091 1.00 10.41 H new ATOM 0 HA LYS A 27 -9.111 -17.213 -13.125 1.00 61.33 H new ATOM 0 HB2 LYS A 27 -8.864 -16.392 -15.600 1.00 44.13 H new ATOM 0 HB3 LYS A 27 -7.168 -16.792 -15.408 1.00 44.13 H new ATOM 0 HG2 LYS A 27 -8.217 -19.103 -14.507 1.00 2.10 H new ATOM 0 HG3 LYS A 27 -9.548 -18.601 -15.531 1.00 2.10 H new ATOM 0 HD2 LYS A 27 -7.970 -18.336 -17.444 1.00 71.23 H new ATOM 0 HD3 LYS A 27 -6.644 -18.848 -16.418 1.00 71.23 H new ATOM 0 HE2 LYS A 27 -9.095 -20.597 -16.760 1.00 3.13 H new ATOM 0 HE3 LYS A 27 -7.815 -20.611 -17.957 1.00 3.13 H new ATOM 0 HZ1 LYS A 27 -7.487 -22.332 -16.304 1.00 40.54 H new ATOM 0 HZ2 LYS A 27 -6.228 -21.196 -16.215 1.00 40.54 H new ATOM 0 HZ3 LYS A 27 -7.468 -21.182 -15.055 1.00 40.54 H new ATOM 395 N THR A 28 -5.949 -16.330 -12.911 1.00 33.05 N ATOM 396 CA THR A 28 -4.681 -16.654 -12.271 1.00 4.04 C ATOM 397 C THR A 28 -4.687 -16.250 -10.801 1.00 13.13 C ATOM 398 O THR A 28 -4.037 -16.884 -9.970 1.00 23.10 O ATOM 399 CB THR A 28 -3.501 -15.959 -12.977 1.00 55.10 C ATOM 400 OG1 THR A 28 -3.327 -14.637 -12.454 1.00 21.53 O ATOM 401 CG2 THR A 28 -3.736 -15.888 -14.478 1.00 64.45 C ATOM 0 H THR A 28 -5.958 -15.435 -13.400 1.00 33.05 H new ATOM 0 HA THR A 28 -4.556 -17.734 -12.348 1.00 4.04 H new ATOM 0 HB THR A 28 -2.600 -16.544 -12.793 1.00 55.10 H new ATOM 0 HG1 THR A 28 -2.515 -14.606 -11.907 1.00 21.53 H new ATOM 0 HG21 THR A 28 -2.890 -15.393 -14.956 1.00 64.45 H new ATOM 0 HG22 THR A 28 -3.840 -16.897 -14.878 1.00 64.45 H new ATOM 0 HG23 THR A 28 -4.647 -15.323 -14.677 1.00 64.45 H new ATOM 409 N ARG A 29 -5.427 -15.191 -10.486 1.00 62.42 N ATOM 410 CA ARG A 29 -5.517 -14.703 -9.116 1.00 14.34 C ATOM 411 C ARG A 29 -4.149 -14.262 -8.604 1.00 50.11 C ATOM 412 O ARG A 29 -3.854 -14.376 -7.414 1.00 61.55 O ATOM 413 CB ARG A 29 -6.090 -15.788 -8.202 1.00 12.54 C ATOM 414 CG ARG A 29 -7.587 -15.996 -8.368 1.00 25.33 C ATOM 415 CD ARG A 29 -8.110 -17.058 -7.413 1.00 52.12 C ATOM 416 NE ARG A 29 -7.770 -18.408 -7.856 1.00 1.55 N ATOM 417 CZ ARG A 29 -7.979 -19.496 -7.123 1.00 1.42 C ATOM 418 NH1 ARG A 29 -8.524 -19.393 -5.919 1.00 35.42 N ATOM 419 NH2 ARG A 29 -7.642 -20.689 -7.595 1.00 33.35 N ATOM 0 H ARG A 29 -5.972 -14.655 -11.161 1.00 62.42 H new ATOM 0 HA ARG A 29 -6.184 -13.841 -9.108 1.00 14.34 H new ATOM 0 HB2 ARG A 29 -5.577 -16.728 -8.402 1.00 12.54 H new ATOM 0 HB3 ARG A 29 -5.881 -15.525 -7.165 1.00 12.54 H new ATOM 0 HG2 ARG A 29 -8.108 -15.056 -8.189 1.00 25.33 H new ATOM 0 HG3 ARG A 29 -7.803 -16.290 -9.395 1.00 25.33 H new ATOM 0 HD2 ARG A 29 -7.696 -16.888 -6.419 1.00 52.12 H new ATOM 0 HD3 ARG A 29 -9.193 -16.967 -7.327 1.00 52.12 H new ATOM 0 HE ARG A 29 -7.349 -18.521 -8.778 1.00 1.55 H new ATOM 0 HH11 ARG A 29 -8.784 -18.477 -5.554 1.00 35.42 H new ATOM 0 HH12 ARG A 29 -8.683 -20.230 -5.358 1.00 35.42 H new ATOM 0 HH21 ARG A 29 -7.222 -20.771 -8.521 1.00 33.35 H new ATOM 0 HH22 ARG A 29 -7.803 -21.524 -7.032 1.00 33.35 H new ATOM 433 N TRP A 30 -3.319 -13.759 -9.510 1.00 42.22 N ATOM 434 CA TRP A 30 -1.981 -13.301 -9.151 1.00 33.34 C ATOM 435 C TRP A 30 -1.488 -12.240 -10.128 1.00 22.22 C ATOM 436 O TRP A 30 -1.868 -12.236 -11.299 1.00 43.02 O ATOM 437 CB TRP A 30 -1.007 -14.480 -9.124 1.00 21.14 C ATOM 438 CG TRP A 30 -0.552 -14.906 -10.487 1.00 33.33 C ATOM 439 CD1 TRP A 30 0.133 -14.151 -11.395 1.00 61.42 C ATOM 440 CD2 TRP A 30 -0.753 -16.187 -11.095 1.00 44.55 C ATOM 441 NE1 TRP A 30 0.371 -14.885 -12.532 1.00 71.33 N ATOM 442 CE2 TRP A 30 -0.162 -16.137 -12.373 1.00 64.32 C ATOM 443 CE3 TRP A 30 -1.372 -17.370 -10.685 1.00 63.21 C ATOM 444 CZ2 TRP A 30 -0.174 -17.226 -13.241 1.00 50.22 C ATOM 445 CZ3 TRP A 30 -1.383 -18.450 -11.548 1.00 15.52 C ATOM 446 CH2 TRP A 30 -0.787 -18.372 -12.814 1.00 12.05 C ATOM 0 H TRP A 30 -3.548 -13.658 -10.499 1.00 42.22 H new ATOM 0 HA TRP A 30 -2.030 -12.857 -8.157 1.00 33.34 H new ATOM 0 HB2 TRP A 30 -0.137 -14.209 -8.526 1.00 21.14 H new ATOM 0 HB3 TRP A 30 -1.484 -15.325 -8.628 1.00 21.14 H new ATOM 0 HD1 TRP A 30 0.442 -13.128 -11.242 1.00 61.42 H new ATOM 0 HE1 TRP A 30 0.864 -14.552 -13.360 1.00 71.33 H new ATOM 0 HE3 TRP A 30 -1.834 -17.440 -9.711 1.00 63.21 H new ATOM 0 HZ2 TRP A 30 0.285 -17.168 -14.217 1.00 50.22 H new ATOM 0 HZ3 TRP A 30 -1.859 -19.370 -11.241 1.00 15.52 H new ATOM 0 HH2 TRP A 30 -0.812 -19.233 -13.465 1.00 12.05 H new ATOM 457 N CYS A 31 -0.639 -11.341 -9.640 1.00 33.41 N ATOM 458 CA CYS A 31 -0.094 -10.275 -10.470 1.00 44.42 C ATOM 459 C CYS A 31 0.771 -10.845 -11.591 1.00 30.44 C ATOM 460 O CYS A 31 1.840 -11.404 -11.342 1.00 53.04 O ATOM 461 CB CYS A 31 0.730 -9.307 -9.618 1.00 22.21 C ATOM 462 SG CYS A 31 -0.161 -8.646 -8.173 1.00 4.20 S ATOM 0 H CYS A 31 -0.314 -11.330 -8.673 1.00 33.41 H new ATOM 0 HA CYS A 31 -0.929 -9.735 -10.918 1.00 44.42 H new ATOM 0 HB2 CYS A 31 1.630 -9.818 -9.274 1.00 22.21 H new ATOM 0 HB3 CYS A 31 1.055 -8.475 -10.243 1.00 22.21 H new ATOM 467 N LYS A 32 0.301 -10.701 -12.825 1.00 0.10 N ATOM 468 CA LYS A 32 1.030 -11.200 -13.985 1.00 40.30 C ATOM 469 C LYS A 32 1.686 -10.054 -14.749 1.00 25.30 C ATOM 470 O LYS A 32 1.183 -8.931 -14.754 1.00 43.23 O ATOM 471 CB LYS A 32 0.088 -11.971 -14.912 1.00 20.30 C ATOM 472 CG LYS A 32 -0.824 -11.077 -15.734 1.00 10.03 C ATOM 473 CD LYS A 32 -2.065 -11.821 -16.197 1.00 33.14 C ATOM 474 CE LYS A 32 -2.565 -11.294 -17.533 1.00 70.41 C ATOM 475 NZ LYS A 32 -1.814 -11.882 -18.677 1.00 4.22 N ATOM 0 H LYS A 32 -0.582 -10.242 -13.048 1.00 0.10 H new ATOM 0 HA LYS A 32 1.812 -11.872 -13.630 1.00 40.30 H new ATOM 0 HB2 LYS A 32 0.681 -12.589 -15.586 1.00 20.30 H new ATOM 0 HB3 LYS A 32 -0.523 -12.647 -14.314 1.00 20.30 H new ATOM 0 HG2 LYS A 32 -1.118 -10.211 -15.140 1.00 10.03 H new ATOM 0 HG3 LYS A 32 -0.281 -10.700 -16.600 1.00 10.03 H new ATOM 0 HD2 LYS A 32 -1.841 -12.884 -16.285 1.00 33.14 H new ATOM 0 HD3 LYS A 32 -2.851 -11.721 -15.448 1.00 33.14 H new ATOM 0 HE2 LYS A 32 -3.626 -11.522 -17.639 1.00 70.41 H new ATOM 0 HE3 LYS A 32 -2.468 -10.209 -17.554 1.00 70.41 H new ATOM 0 HZ1 LYS A 32 -2.184 -11.498 -19.570 1.00 4.22 H new ATOM 0 HZ2 LYS A 32 -0.805 -11.644 -18.590 1.00 4.22 H new ATOM 0 HZ3 LYS A 32 -1.927 -12.916 -18.672 1.00 4.22 H new ATOM 489 N TRP A 33 2.810 -10.347 -15.393 1.00 43.43 N ATOM 490 CA TRP A 33 3.534 -9.340 -16.162 1.00 23.51 C ATOM 491 C TRP A 33 3.009 -9.266 -17.591 1.00 44.25 C ATOM 492 O TRP A 33 3.208 -10.187 -18.383 1.00 35.21 O ATOM 493 CB TRP A 33 5.031 -9.655 -16.171 1.00 21.32 C ATOM 494 CG TRP A 33 5.894 -8.434 -16.272 1.00 23.24 C ATOM 495 CD1 TRP A 33 5.526 -7.207 -16.743 1.00 12.40 C ATOM 496 CD2 TRP A 33 7.271 -8.324 -15.894 1.00 30.51 C ATOM 497 NE1 TRP A 33 6.591 -6.340 -16.681 1.00 75.21 N ATOM 498 CE2 TRP A 33 7.673 -7.001 -16.163 1.00 74.41 C ATOM 499 CE3 TRP A 33 8.203 -9.214 -15.353 1.00 32.13 C ATOM 500 CZ2 TRP A 33 8.965 -6.550 -15.910 1.00 62.11 C ATOM 501 CZ3 TRP A 33 9.485 -8.765 -15.102 1.00 43.24 C ATOM 502 CH2 TRP A 33 9.857 -7.443 -15.380 1.00 51.42 C ATOM 0 H TRP A 33 3.240 -11.272 -15.398 1.00 43.43 H new ATOM 0 HA TRP A 33 3.376 -8.372 -15.686 1.00 23.51 H new ATOM 0 HB2 TRP A 33 5.286 -10.197 -15.261 1.00 21.32 H new ATOM 0 HB3 TRP A 33 5.251 -10.317 -17.009 1.00 21.32 H new ATOM 0 HD1 TRP A 33 4.542 -6.954 -17.111 1.00 12.40 H new ATOM 0 HE1 TRP A 33 6.578 -5.363 -16.973 1.00 75.21 H new ATOM 0 HE3 TRP A 33 7.926 -10.235 -15.135 1.00 32.13 H new ATOM 0 HZ2 TRP A 33 9.254 -5.532 -16.124 1.00 62.11 H new ATOM 0 HZ3 TRP A 33 10.213 -9.445 -14.684 1.00 43.24 H new ATOM 0 HH2 TRP A 33 10.867 -7.122 -15.172 1.00 51.42 H new ATOM 513 N GLN A 34 2.340 -8.164 -17.915 1.00 2.01 N ATOM 514 CA GLN A 34 1.787 -7.971 -19.250 1.00 71.01 C ATOM 515 C GLN A 34 2.714 -7.114 -20.105 1.00 44.20 C ATOM 516 O GLN A 34 3.379 -6.209 -19.600 1.00 44.32 O ATOM 517 CB GLN A 34 0.406 -7.319 -19.164 1.00 10.15 C ATOM 518 CG GLN A 34 -0.739 -8.281 -19.434 1.00 33.31 C ATOM 519 CD GLN A 34 -0.979 -8.502 -20.914 1.00 52.35 C ATOM 520 OE1 GLN A 34 -0.782 -9.602 -21.430 1.00 34.51 O ATOM 521 NE2 GLN A 34 -1.407 -7.453 -21.608 1.00 31.03 N ATOM 0 H GLN A 34 2.168 -7.392 -17.271 1.00 2.01 H new ATOM 0 HA GLN A 34 1.690 -8.950 -19.720 1.00 71.01 H new ATOM 0 HB2 GLN A 34 0.279 -6.886 -18.172 1.00 10.15 H new ATOM 0 HB3 GLN A 34 0.356 -6.498 -19.879 1.00 10.15 H new ATOM 0 HG2 GLN A 34 -0.525 -9.238 -18.958 1.00 33.31 H new ATOM 0 HG3 GLN A 34 -1.649 -7.894 -18.976 1.00 33.31 H new ATOM 0 HE21 GLN A 34 -1.557 -6.559 -21.140 1.00 31.03 H new ATOM 0 HE22 GLN A 34 -1.585 -7.542 -22.608 1.00 31.03 H new ATOM 530 N ILE A 35 2.754 -7.405 -21.401 1.00 20.22 N ATOM 531 CA ILE A 35 3.600 -6.660 -22.325 1.00 74.33 C ATOM 532 C ILE A 35 2.810 -5.562 -23.029 1.00 2.53 C ATOM 533 O ILE A 35 1.617 -5.711 -23.293 1.00 62.40 O ATOM 534 CB ILE A 35 4.226 -7.586 -23.385 1.00 43.52 C ATOM 535 CG1 ILE A 35 5.129 -6.783 -24.324 1.00 62.23 C ATOM 536 CG2 ILE A 35 3.139 -8.303 -24.171 1.00 41.24 C ATOM 537 CD1 ILE A 35 5.984 -7.647 -25.225 1.00 30.10 C ATOM 0 H ILE A 35 2.210 -8.151 -21.835 1.00 20.22 H new ATOM 0 HA ILE A 35 4.396 -6.209 -21.732 1.00 74.33 H new ATOM 0 HB ILE A 35 4.834 -8.336 -22.879 1.00 43.52 H new ATOM 0 HG12 ILE A 35 4.510 -6.131 -24.940 1.00 62.23 H new ATOM 0 HG13 ILE A 35 5.777 -6.139 -23.729 1.00 62.23 H new ATOM 0 HG21 ILE A 35 3.598 -8.953 -24.916 1.00 41.24 H new ATOM 0 HG22 ILE A 35 2.533 -8.901 -23.491 1.00 41.24 H new ATOM 0 HG23 ILE A 35 2.507 -7.569 -24.670 1.00 41.24 H new ATOM 0 HD11 ILE A 35 6.598 -7.011 -25.863 1.00 30.10 H new ATOM 0 HD12 ILE A 35 6.629 -8.281 -24.616 1.00 30.10 H new ATOM 0 HD13 ILE A 35 5.342 -8.272 -25.846 1.00 30.10 H new TER 549 ILE A 35