USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 261 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+ 176:sc= 1.25 (180deg=1.22) USER MOD Single : A 7 ASN : amide:sc= 0.0573 X(o=0.057,f=-0.13) USER MOD Single : A 9 ASN : amide:sc= -0.0115 K(o=-0.012,f=-0.94) USER MOD Single : A 12 HIS : no HD1:sc= -0.845 K(o=-0.84,f=-3.1) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.611) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.614 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.216 1.493 0.847 1.00 0.00 N ATOM 2 CA GLY A 1 -9.471 0.635 1.796 1.00 0.00 C ATOM 3 C GLY A 1 -8.713 1.456 2.808 1.00 0.00 C ATOM 4 O GLY A 1 -9.179 2.522 3.205 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.671 0.899 0.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.943 2.030 1.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.558 2.154 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.166 -0.028 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.775 0.001 1.246 1.00 0.00 H new ATOM 10 N PHE A 2 -7.553 0.963 3.224 1.00 0.00 N ATOM 11 CA PHE A 2 -6.722 1.669 4.192 1.00 0.00 C ATOM 12 C PHE A 2 -6.192 2.961 3.576 1.00 0.00 C ATOM 13 O PHE A 2 -6.262 4.026 4.183 1.00 0.00 O ATOM 14 CB PHE A 2 -5.565 0.776 4.649 1.00 0.00 C ATOM 15 CG PHE A 2 -4.877 1.262 5.894 1.00 0.00 C ATOM 16 CD1 PHE A 2 -5.582 1.414 7.079 1.00 0.00 C ATOM 17 CD2 PHE A 2 -3.526 1.569 5.882 1.00 0.00 C ATOM 18 CE1 PHE A 2 -4.951 1.860 8.225 1.00 0.00 C ATOM 19 CE2 PHE A 2 -2.890 2.016 7.024 1.00 0.00 C ATOM 20 CZ PHE A 2 -3.605 2.163 8.197 1.00 0.00 C ATOM 0 H PHE A 2 -7.165 0.075 2.905 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.326 1.919 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.943 -0.231 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.833 0.706 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.636 1.181 7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.962 1.457 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -5.511 1.971 9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -1.836 2.250 7.000 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.111 2.515 9.091 1.00 0.00 H new ATOM 30 N GLY A 3 -5.666 2.849 2.365 1.00 0.00 N ATOM 31 CA GLY A 3 -5.154 4.010 1.666 1.00 0.00 C ATOM 32 C GLY A 3 -5.963 4.295 0.419 1.00 0.00 C ATOM 33 O GLY A 3 -6.536 5.378 0.268 1.00 0.00 O ATOM 0 H GLY A 3 -5.584 1.971 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.180 4.877 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.111 3.846 1.397 1.00 0.00 H new ATOM 37 N CYS A 4 -5.998 3.319 -0.480 1.00 0.00 N ATOM 38 CA CYS A 4 -6.750 3.424 -1.723 1.00 0.00 C ATOM 39 C CYS A 4 -8.212 3.813 -1.474 1.00 0.00 C ATOM 40 O CYS A 4 -8.798 3.466 -0.444 1.00 0.00 O ATOM 41 CB CYS A 4 -6.721 2.079 -2.440 1.00 0.00 C ATOM 42 SG CYS A 4 -7.561 0.756 -1.507 1.00 0.00 S ATOM 0 H CYS A 4 -5.506 2.433 -0.367 1.00 0.00 H new ATOM 0 HA CYS A 4 -6.286 4.202 -2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.194 2.184 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.685 1.790 -2.617 1.00 0.00 H new ATOM 47 N PRO A 5 -8.833 4.515 -2.434 1.00 0.00 N ATOM 48 CA PRO A 5 -8.191 4.930 -3.673 1.00 0.00 C ATOM 49 C PRO A 5 -7.739 6.389 -3.652 1.00 0.00 C ATOM 50 O PRO A 5 -7.149 6.878 -4.610 1.00 0.00 O ATOM 51 CB PRO A 5 -9.322 4.754 -4.683 1.00 0.00 C ATOM 52 CG PRO A 5 -10.598 4.929 -3.904 1.00 0.00 C ATOM 53 CD PRO A 5 -10.247 4.897 -2.431 1.00 0.00 C ATOM 0 HA PRO A 5 -7.284 4.362 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.249 5.490 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.280 3.770 -5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.077 5.873 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.305 4.136 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.401 5.867 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.858 4.177 -1.887 1.00 0.00 H new ATOM 61 N PHE A 6 -8.017 7.069 -2.554 1.00 0.00 N ATOM 62 CA PHE A 6 -7.675 8.479 -2.420 1.00 0.00 C ATOM 63 C PHE A 6 -6.283 8.684 -1.836 1.00 0.00 C ATOM 64 O PHE A 6 -5.503 9.480 -2.350 1.00 0.00 O ATOM 65 CB PHE A 6 -8.711 9.192 -1.547 1.00 0.00 C ATOM 66 CG PHE A 6 -10.114 9.101 -2.078 1.00 0.00 C ATOM 67 CD1 PHE A 6 -10.470 9.753 -3.248 1.00 0.00 C ATOM 68 CD2 PHE A 6 -11.077 8.365 -1.406 1.00 0.00 C ATOM 69 CE1 PHE A 6 -11.759 9.671 -3.738 1.00 0.00 C ATOM 70 CE2 PHE A 6 -12.367 8.279 -1.892 1.00 0.00 C ATOM 71 CZ PHE A 6 -12.709 8.934 -3.059 1.00 0.00 C ATOM 0 H PHE A 6 -8.480 6.668 -1.738 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.678 8.907 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.683 8.766 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.434 10.242 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.731 10.332 -3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.816 7.853 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.024 10.183 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.108 7.700 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.718 8.870 -3.440 1.00 0.00 H new ATOM 81 N ASN A 7 -5.959 7.949 -0.782 1.00 0.00 N ATOM 82 CA ASN A 7 -4.666 8.108 -0.127 1.00 0.00 C ATOM 83 C ASN A 7 -3.779 6.894 -0.344 1.00 0.00 C ATOM 84 O ASN A 7 -3.114 6.417 0.578 1.00 0.00 O ATOM 85 CB ASN A 7 -4.855 8.368 1.371 1.00 0.00 C ATOM 86 CG ASN A 7 -5.174 9.821 1.675 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.066 10.121 2.467 1.00 0.00 O ATOM 88 ND2 ASN A 7 -4.437 10.735 1.060 1.00 0.00 N ATOM 0 H ASN A 7 -6.566 7.243 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.170 8.968 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.660 7.737 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.949 8.080 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.601 11.726 1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.706 10.447 0.409 1.00 0.00 H new ATOM 95 N GLU A 8 -3.755 6.405 -1.574 1.00 0.00 N ATOM 96 CA GLU A 8 -2.937 5.249 -1.905 1.00 0.00 C ATOM 97 C GLU A 8 -1.472 5.659 -1.952 1.00 0.00 C ATOM 98 O GLU A 8 -0.582 4.879 -1.621 1.00 0.00 O ATOM 99 CB GLU A 8 -3.369 4.637 -3.238 1.00 0.00 C ATOM 100 CG GLU A 8 -2.706 3.300 -3.537 1.00 0.00 C ATOM 101 CD GLU A 8 -3.006 2.247 -2.485 1.00 0.00 C ATOM 102 OE1 GLU A 8 -2.438 2.322 -1.378 1.00 0.00 O ATOM 103 OE2 GLU A 8 -3.808 1.336 -2.770 1.00 0.00 O ATOM 0 H GLU A 8 -4.289 6.787 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.071 4.490 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.451 4.504 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.137 5.336 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.043 2.942 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.627 3.442 -3.606 1.00 0.00 H new ATOM 110 N ASN A 9 -1.232 6.903 -2.341 1.00 0.00 N ATOM 111 CA ASN A 9 0.123 7.431 -2.412 1.00 0.00 C ATOM 112 C ASN A 9 0.696 7.529 -1.012 1.00 0.00 C ATOM 113 O ASN A 9 1.864 7.226 -0.782 1.00 0.00 O ATOM 114 CB ASN A 9 0.135 8.811 -3.074 1.00 0.00 C ATOM 115 CG ASN A 9 -0.166 8.754 -4.558 1.00 0.00 C ATOM 116 OD1 ASN A 9 0.178 7.790 -5.240 1.00 0.00 O ATOM 117 ND2 ASN A 9 -0.815 9.790 -5.066 1.00 0.00 N ATOM 0 H ASN A 9 -1.958 7.566 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 9 0.731 6.757 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.599 9.450 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.111 9.272 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.048 9.809 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.082 10.569 -4.465 1.00 0.00 H new ATOM 124 N GLU A 10 -0.152 7.930 -0.076 1.00 0.00 N ATOM 125 CA GLU A 10 0.238 8.072 1.316 1.00 0.00 C ATOM 126 C GLU A 10 0.438 6.702 1.941 1.00 0.00 C ATOM 127 O GLU A 10 1.368 6.496 2.722 1.00 0.00 O ATOM 128 CB GLU A 10 -0.814 8.875 2.088 1.00 0.00 C ATOM 129 CG GLU A 10 -0.883 10.345 1.689 1.00 0.00 C ATOM 130 CD GLU A 10 -1.322 10.551 0.250 1.00 0.00 C ATOM 131 OE1 GLU A 10 -2.201 9.794 -0.220 1.00 0.00 O ATOM 132 OE2 GLU A 10 -0.781 11.453 -0.417 1.00 0.00 O ATOM 0 H GLU A 10 -1.127 8.165 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 10 1.181 8.617 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.792 8.420 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.598 8.808 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.576 10.863 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.097 10.801 1.833 1.00 0.00 H new ATOM 139 N CYS A 11 -0.430 5.759 1.592 1.00 0.00 N ATOM 140 CA CYS A 11 -0.304 4.405 2.103 1.00 0.00 C ATOM 141 C CYS A 11 0.983 3.803 1.543 1.00 0.00 C ATOM 142 O CYS A 11 1.717 3.096 2.239 1.00 0.00 O ATOM 143 CB CYS A 11 -1.523 3.555 1.722 1.00 0.00 C ATOM 144 SG CYS A 11 -1.937 2.273 2.953 1.00 0.00 S ATOM 0 H CYS A 11 -1.220 5.907 0.964 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.261 4.423 3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.384 4.210 1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.335 3.076 0.761 1.00 0.00 H new ATOM 149 N HIS A 12 1.266 4.135 0.283 1.00 0.00 N ATOM 150 CA HIS A 12 2.476 3.682 -0.389 1.00 0.00 C ATOM 151 C HIS A 12 3.689 4.350 0.254 1.00 0.00 C ATOM 152 O HIS A 12 4.719 3.714 0.460 1.00 0.00 O ATOM 153 CB HIS A 12 2.409 4.018 -1.888 1.00 0.00 C ATOM 154 CG HIS A 12 3.510 3.414 -2.714 1.00 0.00 C ATOM 155 ND1 HIS A 12 3.275 2.620 -3.815 1.00 0.00 N ATOM 156 CD2 HIS A 12 4.856 3.507 -2.607 1.00 0.00 C ATOM 157 CE1 HIS A 12 4.429 2.254 -4.346 1.00 0.00 C ATOM 158 NE2 HIS A 12 5.405 2.778 -3.631 1.00 0.00 N ATOM 0 H HIS A 12 0.664 4.722 -0.294 1.00 0.00 H new ATOM 0 HA HIS A 12 2.565 2.601 -0.286 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.450 3.679 -2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.437 5.101 -2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.399 4.056 -1.852 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.552 1.630 -5.219 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.402 2.661 -3.810 1.00 0.00 H new ATOM 167 N ALA A 13 3.556 5.640 0.558 1.00 0.00 N ATOM 168 CA ALA A 13 4.623 6.399 1.200 1.00 0.00 C ATOM 169 C ALA A 13 4.945 5.784 2.552 1.00 0.00 C ATOM 170 O ALA A 13 6.108 5.647 2.924 1.00 0.00 O ATOM 171 CB ALA A 13 4.228 7.860 1.356 1.00 0.00 C ATOM 0 H ALA A 13 2.713 6.182 0.368 1.00 0.00 H new ATOM 0 HA ALA A 13 5.512 6.359 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.039 8.407 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.032 8.291 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.329 7.930 1.969 1.00 0.00 H new ATOM 177 N HIS A 14 3.897 5.419 3.281 1.00 0.00 N ATOM 178 CA HIS A 14 4.058 4.770 4.576 1.00 0.00 C ATOM 179 C HIS A 14 4.807 3.463 4.385 1.00 0.00 C ATOM 180 O HIS A 14 5.743 3.150 5.117 1.00 0.00 O ATOM 181 CB HIS A 14 2.699 4.489 5.211 1.00 0.00 C ATOM 182 CG HIS A 14 2.789 3.870 6.574 1.00 0.00 C ATOM 183 ND1 HIS A 14 3.699 4.275 7.530 1.00 0.00 N ATOM 184 CD2 HIS A 14 2.088 2.854 7.132 1.00 0.00 C ATOM 185 CE1 HIS A 14 3.553 3.535 8.616 1.00 0.00 C ATOM 186 NE2 HIS A 14 2.582 2.667 8.401 1.00 0.00 N ATOM 0 H HIS A 14 2.928 5.561 2.998 1.00 0.00 H new ATOM 0 HA HIS A 14 4.618 5.432 5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.140 5.422 5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.132 3.827 4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.290 2.295 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.130 3.625 9.524 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.252 1.970 9.069 1.00 0.00 H new ATOM 195 N CYS A 15 4.359 2.708 3.396 1.00 0.00 N ATOM 196 CA CYS A 15 4.977 1.434 3.043 1.00 0.00 C ATOM 197 C CYS A 15 6.462 1.641 2.754 1.00 0.00 C ATOM 198 O CYS A 15 7.319 0.854 3.165 1.00 0.00 O ATOM 199 CB CYS A 15 4.259 0.837 1.827 1.00 0.00 C ATOM 200 SG CYS A 15 5.075 -0.611 1.088 1.00 0.00 S ATOM 0 H CYS A 15 3.559 2.957 2.814 1.00 0.00 H new ATOM 0 HA CYS A 15 4.886 0.737 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.249 0.554 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.163 1.610 1.065 1.00 0.00 H new ATOM 205 N LEU A 16 6.752 2.743 2.086 1.00 0.00 N ATOM 206 CA LEU A 16 8.113 3.114 1.731 1.00 0.00 C ATOM 207 C LEU A 16 8.979 3.303 2.973 1.00 0.00 C ATOM 208 O LEU A 16 10.191 3.064 2.942 1.00 0.00 O ATOM 209 CB LEU A 16 8.101 4.413 0.927 1.00 0.00 C ATOM 210 CG LEU A 16 7.993 4.250 -0.588 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.577 5.562 -1.235 1.00 0.00 C ATOM 212 CD2 LEU A 16 9.314 3.771 -1.167 1.00 0.00 C ATOM 0 H LEU A 16 6.047 3.410 1.772 1.00 0.00 H new ATOM 0 HA LEU A 16 8.535 2.306 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.265 5.024 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.013 4.966 1.151 1.00 0.00 H new ATOM 0 HG LEU A 16 7.230 3.501 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.505 5.429 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.608 5.871 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.319 6.329 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.219 3.660 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.094 4.499 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.578 2.810 -0.726 1.00 0.00 H new ATOM 224 N SER A 17 8.345 3.724 4.061 1.00 0.00 N ATOM 225 CA SER A 17 9.043 3.971 5.315 1.00 0.00 C ATOM 226 C SER A 17 9.409 2.674 6.037 1.00 0.00 C ATOM 227 O SER A 17 10.318 2.662 6.864 1.00 0.00 O ATOM 228 CB SER A 17 8.182 4.841 6.235 1.00 0.00 C ATOM 229 OG SER A 17 7.315 5.681 5.490 1.00 0.00 O ATOM 0 H SER A 17 7.341 3.902 4.099 1.00 0.00 H new ATOM 0 HA SER A 17 9.969 4.490 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.595 4.204 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.826 5.451 6.869 1.00 0.00 H new ATOM 0 HG SER A 17 6.777 6.223 6.104 1.00 0.00 H new ATOM 235 N ILE A 18 8.730 1.574 5.721 1.00 0.00 N ATOM 236 CA ILE A 18 9.021 0.311 6.393 1.00 0.00 C ATOM 237 C ILE A 18 9.999 -0.532 5.583 1.00 0.00 C ATOM 238 O ILE A 18 9.957 -1.762 5.612 1.00 0.00 O ATOM 239 CB ILE A 18 7.749 -0.516 6.705 1.00 0.00 C ATOM 240 CG1 ILE A 18 6.546 -0.008 5.910 1.00 0.00 C ATOM 241 CG2 ILE A 18 7.455 -0.473 8.198 1.00 0.00 C ATOM 242 CD1 ILE A 18 5.328 -0.903 6.007 1.00 0.00 C ATOM 0 H ILE A 18 7.991 1.530 5.020 1.00 0.00 H new ATOM 0 HA ILE A 18 9.478 0.579 7.346 1.00 0.00 H new ATOM 0 HB ILE A 18 7.932 -1.548 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.282 0.988 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.830 0.091 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.559 -1.057 8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.299 -0.891 8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.296 0.560 8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.516 -0.477 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.573 -1.894 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.017 -0.983 7.049 1.00 0.00 H new ATOM 254 N GLY A 19 10.868 0.141 4.842 1.00 0.00 N ATOM 255 CA GLY A 19 11.867 -0.549 4.047 1.00 0.00 C ATOM 256 C GLY A 19 11.367 -0.918 2.668 1.00 0.00 C ATOM 257 O GLY A 19 12.126 -0.894 1.699 1.00 0.00 O ATOM 0 H GLY A 19 10.900 1.158 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.749 0.084 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.179 -1.453 4.569 1.00 0.00 H new ATOM 261 N ARG A 20 10.084 -1.230 2.575 1.00 0.00 N ATOM 262 CA ARG A 20 9.479 -1.619 1.306 1.00 0.00 C ATOM 263 C ARG A 20 9.520 -0.449 0.330 1.00 0.00 C ATOM 264 O ARG A 20 9.514 0.708 0.741 1.00 0.00 O ATOM 265 CB ARG A 20 8.030 -2.082 1.504 1.00 0.00 C ATOM 266 CG ARG A 20 7.643 -2.372 2.951 1.00 0.00 C ATOM 267 CD ARG A 20 8.216 -3.693 3.442 1.00 0.00 C ATOM 268 NE ARG A 20 7.281 -4.403 4.310 1.00 0.00 N ATOM 269 CZ ARG A 20 7.390 -4.485 5.633 1.00 0.00 C ATOM 270 NH1 ARG A 20 8.362 -3.843 6.274 1.00 0.00 N ATOM 271 NH2 ARG A 20 6.508 -5.196 6.322 1.00 0.00 N ATOM 0 H ARG A 20 9.438 -1.222 3.364 1.00 0.00 H new ATOM 0 HA ARG A 20 10.051 -2.452 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.362 -1.316 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.867 -2.982 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.998 -1.563 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.557 -2.394 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.465 -4.321 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.144 -3.508 3.983 1.00 0.00 H new ATOM 0 HE ARG A 20 6.488 -4.869 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.033 -3.281 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.436 -3.913 7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.750 -5.677 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.587 -5.262 7.337 1.00 0.00 H new ATOM 285 N LYS A 21 9.612 -0.741 -0.956 1.00 0.00 N ATOM 286 CA LYS A 21 9.663 0.314 -1.959 1.00 0.00 C ATOM 287 C LYS A 21 8.350 0.426 -2.721 1.00 0.00 C ATOM 288 O LYS A 21 7.969 1.503 -3.183 1.00 0.00 O ATOM 289 CB LYS A 21 10.835 0.085 -2.913 1.00 0.00 C ATOM 290 CG LYS A 21 12.190 0.248 -2.239 1.00 0.00 C ATOM 291 CD LYS A 21 12.400 1.674 -1.744 1.00 0.00 C ATOM 292 CE LYS A 21 13.005 1.704 -0.346 1.00 0.00 C ATOM 293 NZ LYS A 21 11.974 1.929 0.708 1.00 0.00 N ATOM 0 H LYS A 21 9.653 -1.689 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 21 9.818 1.261 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.763 -0.918 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.762 0.786 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.266 -0.444 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.981 -0.014 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.054 2.206 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.446 2.201 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.519 0.762 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.755 2.493 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.254 1.435 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.890 2.948 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.058 1.561 0.381 1.00 0.00 H new ATOM 307 N PHE A 22 7.654 -0.685 -2.839 1.00 0.00 N ATOM 308 CA PHE A 22 6.383 -0.707 -3.541 1.00 0.00 C ATOM 309 C PHE A 22 5.321 -1.346 -2.669 1.00 0.00 C ATOM 310 O PHE A 22 5.623 -2.189 -1.822 1.00 0.00 O ATOM 311 CB PHE A 22 6.469 -1.474 -4.862 1.00 0.00 C ATOM 312 CG PHE A 22 7.825 -1.444 -5.514 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.216 -0.356 -6.278 1.00 0.00 C ATOM 314 CD2 PHE A 22 8.706 -2.504 -5.362 1.00 0.00 C ATOM 315 CE1 PHE A 22 9.460 -0.324 -6.877 1.00 0.00 C ATOM 316 CE2 PHE A 22 9.951 -2.477 -5.959 1.00 0.00 C ATOM 317 CZ PHE A 22 10.328 -1.387 -6.719 1.00 0.00 C ATOM 0 H PHE A 22 7.945 -1.586 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 22 6.120 0.327 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.188 -2.512 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.737 -1.061 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.540 0.477 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.415 -3.360 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.754 0.531 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.629 -3.308 -5.832 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.300 -1.366 -7.189 1.00 0.00 H new ATOM 327 N GLY A 23 4.086 -0.951 -2.902 1.00 0.00 N ATOM 328 CA GLY A 23 2.975 -1.472 -2.139 1.00 0.00 C ATOM 329 C GLY A 23 1.725 -0.645 -2.324 1.00 0.00 C ATOM 330 O GLY A 23 1.805 0.568 -2.527 1.00 0.00 O ATOM 0 H GLY A 23 3.828 -0.269 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.778 -2.500 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.241 -1.496 -1.082 1.00 0.00 H new ATOM 334 N PHE A 24 0.580 -1.308 -2.279 1.00 0.00 N ATOM 335 CA PHE A 24 -0.718 -0.661 -2.431 1.00 0.00 C ATOM 336 C PHE A 24 -1.808 -1.660 -2.086 1.00 0.00 C ATOM 337 O PHE A 24 -1.506 -2.820 -1.808 1.00 0.00 O ATOM 338 CB PHE A 24 -0.921 -0.111 -3.852 1.00 0.00 C ATOM 339 CG PHE A 24 -0.946 -1.160 -4.933 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.227 -1.747 -5.384 1.00 0.00 C ATOM 341 CD2 PHE A 24 -2.146 -1.556 -5.501 1.00 0.00 C ATOM 342 CE1 PHE A 24 0.202 -2.706 -6.379 1.00 0.00 C ATOM 343 CE2 PHE A 24 -2.177 -2.515 -6.496 1.00 0.00 C ATOM 344 CZ PHE A 24 -1.002 -3.091 -6.935 1.00 0.00 C ATOM 0 H PHE A 24 0.523 -2.316 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.764 0.191 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.858 0.445 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.123 0.598 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.172 -1.451 -4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.069 -1.110 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.123 -3.154 -6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.120 -2.813 -6.930 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.024 -3.841 -7.712 1.00 0.00 H new ATOM 354 N CYS A 25 -3.056 -1.222 -2.095 1.00 0.00 N ATOM 355 CA CYS A 25 -4.177 -2.093 -1.761 1.00 0.00 C ATOM 356 C CYS A 25 -4.152 -3.394 -2.555 1.00 0.00 C ATOM 357 O CYS A 25 -4.166 -3.391 -3.785 1.00 0.00 O ATOM 358 CB CYS A 25 -5.501 -1.378 -2.010 1.00 0.00 C ATOM 359 SG CYS A 25 -6.040 -0.280 -0.660 1.00 0.00 S ATOM 0 H CYS A 25 -3.322 -0.266 -2.330 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.081 -2.339 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.415 -0.791 -2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.275 -2.126 -2.183 1.00 0.00 H new ATOM 364 N ALA A 26 -4.116 -4.502 -1.835 1.00 0.00 N ATOM 365 CA ALA A 26 -4.100 -5.816 -2.450 1.00 0.00 C ATOM 366 C ALA A 26 -5.041 -6.751 -1.705 1.00 0.00 C ATOM 367 O ALA A 26 -5.682 -6.347 -0.729 1.00 0.00 O ATOM 368 CB ALA A 26 -2.686 -6.379 -2.475 1.00 0.00 C ATOM 0 H ALA A 26 -4.097 -4.516 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.444 -5.726 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.695 -7.365 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.040 -5.714 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.309 -6.462 -1.456 1.00 0.00 H new ATOM 374 N GLY A 27 -5.125 -7.993 -2.162 1.00 0.00 N ATOM 375 CA GLY A 27 -5.997 -8.961 -1.529 1.00 0.00 C ATOM 376 C GLY A 27 -7.427 -8.826 -2.013 1.00 0.00 C ATOM 377 O GLY A 27 -7.706 -9.082 -3.185 1.00 0.00 O ATOM 0 H GLY A 27 -4.602 -8.348 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.635 -9.968 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.964 -8.828 -0.448 1.00 0.00 H new ATOM 381 N PRO A 28 -8.359 -8.421 -1.134 1.00 0.00 N ATOM 382 CA PRO A 28 -9.770 -8.236 -1.491 1.00 0.00 C ATOM 383 C PRO A 28 -9.988 -6.983 -2.343 1.00 0.00 C ATOM 384 O PRO A 28 -10.703 -6.061 -1.940 1.00 0.00 O ATOM 385 CB PRO A 28 -10.481 -8.093 -0.135 1.00 0.00 C ATOM 386 CG PRO A 28 -9.461 -8.454 0.896 1.00 0.00 C ATOM 387 CD PRO A 28 -8.128 -8.142 0.286 1.00 0.00 C ATOM 0 HA PRO A 28 -10.147 -9.065 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.843 -7.075 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.348 -8.751 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.614 -7.884 1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.531 -9.509 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.837 -7.105 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.336 -8.767 0.699 1.00 0.00 H new ATOM 395 N LEU A 29 -9.349 -6.964 -3.513 1.00 0.00 N ATOM 396 CA LEU A 29 -9.440 -5.858 -4.467 1.00 0.00 C ATOM 397 C LEU A 29 -8.777 -4.589 -3.934 1.00 0.00 C ATOM 398 O LEU A 29 -7.654 -4.266 -4.310 1.00 0.00 O ATOM 399 CB LEU A 29 -10.898 -5.575 -4.854 1.00 0.00 C ATOM 400 CG LEU A 29 -11.581 -6.678 -5.667 1.00 0.00 C ATOM 401 CD1 LEU A 29 -13.041 -6.330 -5.913 1.00 0.00 C ATOM 402 CD2 LEU A 29 -10.856 -6.896 -6.987 1.00 0.00 C ATOM 0 H LEU A 29 -8.747 -7.724 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.898 -6.168 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.473 -5.407 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.932 -4.649 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.538 -7.604 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.512 -7.124 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.556 -6.223 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.103 -5.392 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.356 -7.684 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.868 -5.972 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.824 -7.189 -6.791 1.00 0.00 H new ATOM 414 N ARG A 30 -9.466 -3.879 -3.050 1.00 0.00 N ATOM 415 CA ARG A 30 -8.941 -2.639 -2.493 1.00 0.00 C ATOM 416 C ARG A 30 -9.247 -2.540 -1.001 1.00 0.00 C ATOM 417 O ARG A 30 -10.003 -1.666 -0.566 1.00 0.00 O ATOM 418 CB ARG A 30 -9.535 -1.433 -3.229 1.00 0.00 C ATOM 419 CG ARG A 30 -9.038 -1.281 -4.659 1.00 0.00 C ATOM 420 CD ARG A 30 -9.675 -0.086 -5.348 1.00 0.00 C ATOM 421 NE ARG A 30 -11.134 -0.201 -5.415 1.00 0.00 N ATOM 422 CZ ARG A 30 -11.922 0.651 -6.075 1.00 0.00 C ATOM 423 NH1 ARG A 30 -11.391 1.679 -6.732 1.00 0.00 N ATOM 424 NH2 ARG A 30 -13.240 0.472 -6.080 1.00 0.00 N ATOM 0 H ARG A 30 -10.389 -4.140 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.859 -2.640 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.621 -1.524 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.297 -0.526 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.954 -1.166 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.262 -2.188 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.408 0.825 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.273 0.007 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.575 -0.981 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.380 1.817 -6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.995 2.329 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.649 -0.317 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.841 1.123 -6.584 1.00 0.00 H new ATOM 438 N ALA A 31 -8.658 -3.438 -0.224 1.00 0.00 N ATOM 439 CA ALA A 31 -8.871 -3.453 1.215 1.00 0.00 C ATOM 440 C ALA A 31 -7.684 -2.844 1.958 1.00 0.00 C ATOM 441 O ALA A 31 -7.699 -1.667 2.310 1.00 0.00 O ATOM 442 CB ALA A 31 -9.137 -4.871 1.700 1.00 0.00 C ATOM 0 H ALA A 31 -8.030 -4.165 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.747 -2.842 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.294 -4.863 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.026 -5.263 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.281 -5.503 1.462 1.00 0.00 H new ATOM 448 N THR A 32 -6.652 -3.639 2.181 1.00 0.00 N ATOM 449 CA THR A 32 -5.475 -3.169 2.889 1.00 0.00 C ATOM 450 C THR A 32 -4.289 -3.035 1.943 1.00 0.00 C ATOM 451 O THR A 32 -4.087 -3.880 1.067 1.00 0.00 O ATOM 452 CB THR A 32 -5.109 -4.133 4.033 1.00 0.00 C ATOM 453 OG1 THR A 32 -6.298 -4.743 4.552 1.00 0.00 O ATOM 454 CG2 THR A 32 -4.382 -3.399 5.151 1.00 0.00 C ATOM 0 H THR A 32 -6.606 -4.613 1.882 1.00 0.00 H new ATOM 0 HA THR A 32 -5.709 -2.189 3.305 1.00 0.00 H new ATOM 0 HB THR A 32 -4.446 -4.901 3.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.061 -5.357 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.135 -4.102 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.466 -2.956 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.024 -2.613 5.548 1.00 0.00 H new ATOM 462 N CYS A 33 -3.517 -1.967 2.104 1.00 0.00 N ATOM 463 CA CYS A 33 -2.351 -1.748 1.266 1.00 0.00 C ATOM 464 C CYS A 33 -1.280 -2.773 1.596 1.00 0.00 C ATOM 465 O CYS A 33 -0.747 -2.799 2.704 1.00 0.00 O ATOM 466 CB CYS A 33 -1.788 -0.341 1.459 1.00 0.00 C ATOM 467 SG CYS A 33 -3.027 0.909 1.918 1.00 0.00 S ATOM 0 H CYS A 33 -3.679 -1.244 2.805 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.657 -1.856 0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.019 -0.373 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.300 -0.029 0.536 1.00 0.00 H new ATOM 472 N THR A 34 -0.992 -3.627 0.638 1.00 0.00 N ATOM 473 CA THR A 34 0.013 -4.658 0.812 1.00 0.00 C ATOM 474 C THR A 34 1.257 -4.326 -0.002 1.00 0.00 C ATOM 475 O THR A 34 1.164 -3.956 -1.175 1.00 0.00 O ATOM 476 CB THR A 34 -0.534 -6.032 0.387 1.00 0.00 C ATOM 477 OG1 THR A 34 -1.908 -6.140 0.781 1.00 0.00 O ATOM 478 CG2 THR A 34 0.269 -7.156 1.022 1.00 0.00 C ATOM 0 H THR A 34 -1.443 -3.629 -0.277 1.00 0.00 H new ATOM 0 HA THR A 34 0.276 -4.699 1.869 1.00 0.00 H new ATOM 0 HB THR A 34 -0.450 -6.120 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.213 -7.063 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.137 -8.117 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.310 -7.082 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.211 -7.077 2.108 1.00 0.00 H new ATOM 486 N CYS A 35 2.415 -4.431 0.628 1.00 0.00 N ATOM 487 CA CYS A 35 3.669 -4.137 -0.039 1.00 0.00 C ATOM 488 C CYS A 35 4.196 -5.370 -0.770 1.00 0.00 C ATOM 489 O CYS A 35 3.642 -6.461 -0.626 1.00 0.00 O ATOM 490 CB CYS A 35 4.695 -3.624 0.969 1.00 0.00 C ATOM 491 SG CYS A 35 4.120 -2.189 1.937 1.00 0.00 S ATOM 0 H CYS A 35 2.511 -4.718 1.602 1.00 0.00 H new ATOM 0 HA CYS A 35 3.493 -3.358 -0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.954 -4.432 1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.607 -3.351 0.438 1.00 0.00 H new ATOM 496 N GLY A 36 5.257 -5.183 -1.558 1.00 0.00 N ATOM 497 CA GLY A 36 5.845 -6.279 -2.320 1.00 0.00 C ATOM 498 C GLY A 36 6.129 -7.512 -1.480 1.00 0.00 C ATOM 499 O GLY A 36 5.896 -8.636 -1.919 1.00 0.00 O ATOM 0 H GLY A 36 5.723 -4.284 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.171 -6.549 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.774 -5.937 -2.776 1.00 0.00 H new ATOM 503 N LYS A 37 6.635 -7.302 -0.276 1.00 0.00 N ATOM 504 CA LYS A 37 6.941 -8.403 0.625 1.00 0.00 C ATOM 505 C LYS A 37 6.235 -8.193 1.955 1.00 0.00 C ATOM 506 O LYS A 37 6.847 -8.305 3.017 1.00 0.00 O ATOM 507 CB LYS A 37 8.453 -8.524 0.838 1.00 0.00 C ATOM 508 CG LYS A 37 9.194 -9.067 -0.373 1.00 0.00 C ATOM 509 CD LYS A 37 10.660 -9.321 -0.064 1.00 0.00 C ATOM 510 CE LYS A 37 11.380 -9.931 -1.255 1.00 0.00 C ATOM 511 NZ LYS A 37 12.806 -10.228 -0.950 1.00 0.00 N ATOM 0 H LYS A 37 6.843 -6.378 0.101 1.00 0.00 H new ATOM 0 HA LYS A 37 6.586 -9.331 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.856 -7.543 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.641 -9.176 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.725 -9.994 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.113 -8.359 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.142 -8.384 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.742 -9.988 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.874 -10.849 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.325 -9.247 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.261 -10.643 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.296 -9.348 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.859 -10.901 -0.159 1.00 0.00 H new ATOM 525 N GLN A 38 4.943 -7.874 1.870 1.00 0.00 N ATOM 526 CA GLN A 38 4.113 -7.628 3.046 1.00 0.00 C ATOM 527 C GLN A 38 4.667 -6.457 3.849 1.00 0.00 C ATOM 528 O GLN A 38 4.603 -6.496 5.094 1.00 0.00 O ATOM 529 CB GLN A 38 4.013 -8.882 3.923 1.00 0.00 C ATOM 530 CG GLN A 38 3.072 -9.939 3.367 1.00 0.00 C ATOM 531 CD GLN A 38 2.921 -11.131 4.293 1.00 0.00 C ATOM 532 OE1 GLN A 38 3.630 -12.126 4.169 1.00 0.00 O ATOM 533 NE2 GLN A 38 1.993 -11.036 5.234 1.00 0.00 N ATOM 534 OXT GLN A 38 5.178 -5.506 3.222 1.00 0.00 O ATOM 0 H GLN A 38 4.445 -7.779 0.985 1.00 0.00 H new ATOM 0 HA GLN A 38 3.109 -7.375 2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.006 -9.316 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.675 -8.593 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.093 -9.493 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.444 -10.279 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.423 -10.193 5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.848 -11.806 5.887 1.00 0.00 H new TER 543 GLN A 38