USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=6 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+ -168:sc= 1.25 (180deg=1.22) USER MOD Single : A 7 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.23) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 12 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.3!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 17 SER OG : rot 67:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0.984 (180deg=0.778) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 114:sc= 1.2 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.150 3.352 -0.668 1.00 0.00 N ATOM 2 CA GLY A 1 -9.782 2.372 0.382 1.00 0.00 C ATOM 3 C GLY A 1 -8.865 2.988 1.406 1.00 0.00 C ATOM 4 O GLY A 1 -8.987 4.175 1.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.932 2.972 -1.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.448 4.243 -0.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.328 3.530 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.684 2.005 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.294 1.511 -0.075 1.00 0.00 H new ATOM 10 N PHE A 2 -7.944 2.193 1.938 1.00 0.00 N ATOM 11 CA PHE A 2 -7.001 2.684 2.935 1.00 0.00 C ATOM 12 C PHE A 2 -6.044 3.682 2.294 1.00 0.00 C ATOM 13 O PHE A 2 -5.667 4.682 2.900 1.00 0.00 O ATOM 14 CB PHE A 2 -6.224 1.520 3.559 1.00 0.00 C ATOM 15 CG PHE A 2 -5.449 1.902 4.788 1.00 0.00 C ATOM 16 CD1 PHE A 2 -6.108 2.309 5.938 1.00 0.00 C ATOM 17 CD2 PHE A 2 -4.065 1.854 4.795 1.00 0.00 C ATOM 18 CE1 PHE A 2 -5.399 2.662 7.071 1.00 0.00 C ATOM 19 CE2 PHE A 2 -3.350 2.206 5.926 1.00 0.00 C ATOM 20 CZ PHE A 2 -4.020 2.609 7.065 1.00 0.00 C ATOM 0 H PHE A 2 -7.830 1.209 1.696 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.556 3.186 3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.923 0.723 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.536 1.115 2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.187 2.351 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.538 1.538 3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -5.924 2.979 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.271 2.166 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.465 2.882 7.950 1.00 0.00 H new ATOM 30 N GLY A 3 -5.663 3.398 1.058 1.00 0.00 N ATOM 31 CA GLY A 3 -4.776 4.279 0.336 1.00 0.00 C ATOM 32 C GLY A 3 -5.465 4.904 -0.857 1.00 0.00 C ATOM 33 O GLY A 3 -6.127 5.937 -0.734 1.00 0.00 O ATOM 0 H GLY A 3 -5.955 2.568 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.418 5.063 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.901 3.722 0.001 1.00 0.00 H new ATOM 37 N CYS A 4 -5.338 4.259 -2.004 1.00 0.00 N ATOM 38 CA CYS A 4 -5.948 4.741 -3.235 1.00 0.00 C ATOM 39 C CYS A 4 -7.474 4.739 -3.132 1.00 0.00 C ATOM 40 O CYS A 4 -8.056 4.056 -2.278 1.00 0.00 O ATOM 41 CB CYS A 4 -5.504 3.865 -4.411 1.00 0.00 C ATOM 42 SG CYS A 4 -5.897 2.097 -4.206 1.00 0.00 S ATOM 0 H CYS A 4 -4.813 3.391 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.620 5.767 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.979 4.229 -5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.428 3.974 -4.547 1.00 0.00 H new ATOM 47 N PRO A 5 -8.156 5.508 -3.997 1.00 0.00 N ATOM 48 CA PRO A 5 -7.526 6.344 -5.025 1.00 0.00 C ATOM 49 C PRO A 5 -7.182 7.740 -4.516 1.00 0.00 C ATOM 50 O PRO A 5 -6.749 8.599 -5.279 1.00 0.00 O ATOM 51 CB PRO A 5 -8.610 6.443 -6.109 1.00 0.00 C ATOM 52 CG PRO A 5 -9.830 5.762 -5.558 1.00 0.00 C ATOM 53 CD PRO A 5 -9.610 5.603 -4.082 1.00 0.00 C ATOM 0 HA PRO A 5 -6.582 5.919 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.823 7.484 -6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.281 5.963 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.724 6.354 -5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.979 4.792 -6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.996 6.452 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.100 4.711 -3.691 1.00 0.00 H new ATOM 61 N PHE A 6 -7.376 7.951 -3.227 1.00 0.00 N ATOM 62 CA PHE A 6 -7.115 9.247 -2.620 1.00 0.00 C ATOM 63 C PHE A 6 -5.681 9.365 -2.108 1.00 0.00 C ATOM 64 O PHE A 6 -4.850 10.032 -2.719 1.00 0.00 O ATOM 65 CB PHE A 6 -8.098 9.499 -1.473 1.00 0.00 C ATOM 66 CG PHE A 6 -9.543 9.429 -1.888 1.00 0.00 C ATOM 67 CD1 PHE A 6 -10.125 10.465 -2.602 1.00 0.00 C ATOM 68 CD2 PHE A 6 -10.317 8.326 -1.563 1.00 0.00 C ATOM 69 CE1 PHE A 6 -11.453 10.402 -2.983 1.00 0.00 C ATOM 70 CE2 PHE A 6 -11.646 8.257 -1.941 1.00 0.00 C ATOM 71 CZ PHE A 6 -12.214 9.296 -2.653 1.00 0.00 C ATOM 0 H PHE A 6 -7.714 7.241 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.252 10.001 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.919 8.767 -0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.899 10.482 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.535 11.331 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.877 7.511 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.895 11.216 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.238 7.393 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.251 9.244 -2.951 1.00 0.00 H new ATOM 81 N ASN A 7 -5.387 8.675 -1.016 1.00 0.00 N ATOM 82 CA ASN A 7 -4.068 8.754 -0.393 1.00 0.00 C ATOM 83 C ASN A 7 -3.178 7.578 -0.776 1.00 0.00 C ATOM 84 O ASN A 7 -2.678 6.847 0.088 1.00 0.00 O ATOM 85 CB ASN A 7 -4.191 8.850 1.139 1.00 0.00 C ATOM 86 CG ASN A 7 -5.614 8.666 1.644 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.408 9.606 1.659 1.00 0.00 O ATOM 88 ND2 ASN A 7 -5.947 7.456 2.074 1.00 0.00 N ATOM 0 H ASN A 7 -6.042 8.054 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.595 9.661 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.551 8.095 1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.820 9.822 1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.886 7.282 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.264 6.699 2.047 1.00 0.00 H new ATOM 95 N GLU A 8 -2.974 7.398 -2.076 1.00 0.00 N ATOM 96 CA GLU A 8 -2.123 6.322 -2.563 1.00 0.00 C ATOM 97 C GLU A 8 -0.675 6.667 -2.285 1.00 0.00 C ATOM 98 O GLU A 8 0.066 5.861 -1.746 1.00 0.00 O ATOM 99 CB GLU A 8 -2.320 6.093 -4.067 1.00 0.00 C ATOM 100 CG GLU A 8 -2.252 4.628 -4.496 1.00 0.00 C ATOM 101 CD GLU A 8 -1.081 3.863 -3.898 1.00 0.00 C ATOM 102 OE1 GLU A 8 0.023 3.890 -4.489 1.00 0.00 O ATOM 103 OE2 GLU A 8 -1.269 3.224 -2.842 1.00 0.00 O ATOM 0 H GLU A 8 -3.384 7.980 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.396 5.403 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.287 6.501 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.560 6.654 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.180 4.133 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.187 4.581 -5.583 1.00 0.00 H new ATOM 110 N ASN A 9 -0.295 7.895 -2.615 1.00 0.00 N ATOM 111 CA ASN A 9 1.073 8.361 -2.412 1.00 0.00 C ATOM 112 C ASN A 9 1.455 8.254 -0.946 1.00 0.00 C ATOM 113 O ASN A 9 2.579 7.895 -0.607 1.00 0.00 O ATOM 114 CB ASN A 9 1.216 9.814 -2.868 1.00 0.00 C ATOM 115 CG ASN A 9 1.015 9.990 -4.360 1.00 0.00 C ATOM 116 OD1 ASN A 9 1.413 9.145 -5.160 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.387 11.091 -4.745 1.00 0.00 N ATOM 0 H ASN A 9 -0.918 8.590 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 9 1.738 7.732 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.491 10.429 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.206 10.179 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.218 11.262 -5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.072 11.768 -4.050 1.00 0.00 H new ATOM 124 N GLU A 10 0.494 8.549 -0.090 1.00 0.00 N ATOM 125 CA GLU A 10 0.692 8.511 1.348 1.00 0.00 C ATOM 126 C GLU A 10 0.852 7.075 1.832 1.00 0.00 C ATOM 127 O GLU A 10 1.788 6.764 2.575 1.00 0.00 O ATOM 128 CB GLU A 10 -0.485 9.190 2.060 1.00 0.00 C ATOM 129 CG GLU A 10 -0.578 10.698 1.816 1.00 0.00 C ATOM 130 CD GLU A 10 -0.807 11.059 0.355 1.00 0.00 C ATOM 131 OE1 GLU A 10 -1.501 10.290 -0.348 1.00 0.00 O ATOM 132 OE2 GLU A 10 -0.273 12.089 -0.095 1.00 0.00 O ATOM 0 H GLU A 10 -0.447 8.822 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 10 1.607 9.053 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.413 8.722 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.399 9.011 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.391 11.106 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.341 11.172 2.160 1.00 0.00 H new ATOM 139 N CYS A 11 -0.049 6.198 1.405 1.00 0.00 N ATOM 140 CA CYS A 11 0.023 4.794 1.793 1.00 0.00 C ATOM 141 C CYS A 11 1.284 4.172 1.198 1.00 0.00 C ATOM 142 O CYS A 11 1.993 3.402 1.853 1.00 0.00 O ATOM 143 CB CYS A 11 -1.225 4.040 1.318 1.00 0.00 C ATOM 144 SG CYS A 11 -1.711 2.650 2.394 1.00 0.00 S ATOM 0 H CYS A 11 -0.832 6.431 0.795 1.00 0.00 H new ATOM 0 HA CYS A 11 0.065 4.722 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.057 4.742 1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.046 3.661 0.312 1.00 0.00 H new ATOM 149 N HIS A 12 1.562 4.556 -0.041 1.00 0.00 N ATOM 150 CA HIS A 12 2.727 4.092 -0.780 1.00 0.00 C ATOM 151 C HIS A 12 4.008 4.514 -0.070 1.00 0.00 C ATOM 152 O HIS A 12 4.856 3.680 0.245 1.00 0.00 O ATOM 153 CB HIS A 12 2.699 4.689 -2.190 1.00 0.00 C ATOM 154 CG HIS A 12 3.316 3.830 -3.243 1.00 0.00 C ATOM 155 ND1 HIS A 12 2.602 3.314 -4.300 1.00 0.00 N ATOM 156 CD2 HIS A 12 4.591 3.421 -3.415 1.00 0.00 C ATOM 157 CE1 HIS A 12 3.413 2.621 -5.078 1.00 0.00 C ATOM 158 NE2 HIS A 12 4.629 2.671 -4.563 1.00 0.00 N ATOM 0 H HIS A 12 0.977 5.206 -0.567 1.00 0.00 H new ATOM 0 HA HIS A 12 2.703 3.004 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.663 4.889 -2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.216 5.648 -2.174 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.603 3.446 -4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.427 3.643 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.131 2.102 -5.982 1.00 0.00 H new ATOM 167 N ALA A 13 4.132 5.816 0.188 1.00 0.00 N ATOM 168 CA ALA A 13 5.307 6.362 0.856 1.00 0.00 C ATOM 169 C ALA A 13 5.480 5.746 2.232 1.00 0.00 C ATOM 170 O ALA A 13 6.592 5.406 2.629 1.00 0.00 O ATOM 171 CB ALA A 13 5.212 7.876 0.966 1.00 0.00 C ATOM 0 H ALA A 13 3.428 6.512 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 13 6.180 6.113 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.100 8.261 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.142 8.310 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.326 8.144 1.541 1.00 0.00 H new ATOM 177 N HIS A 14 4.372 5.596 2.955 1.00 0.00 N ATOM 178 CA HIS A 14 4.410 5.002 4.284 1.00 0.00 C ATOM 179 C HIS A 14 5.026 3.615 4.223 1.00 0.00 C ATOM 180 O HIS A 14 5.968 3.312 4.952 1.00 0.00 O ATOM 181 CB HIS A 14 3.008 4.906 4.882 1.00 0.00 C ATOM 182 CG HIS A 14 3.003 4.445 6.310 1.00 0.00 C ATOM 183 ND1 HIS A 14 3.886 4.921 7.261 1.00 0.00 N ATOM 184 CD2 HIS A 14 2.234 3.526 6.943 1.00 0.00 C ATOM 185 CE1 HIS A 14 3.660 4.312 8.412 1.00 0.00 C ATOM 186 NE2 HIS A 14 2.663 3.464 8.246 1.00 0.00 N ATOM 0 H HIS A 14 3.443 5.877 2.642 1.00 0.00 H new ATOM 0 HA HIS A 14 5.019 5.645 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.527 5.882 4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.411 4.218 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.433 2.950 6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.200 4.480 9.332 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.273 2.859 8.969 1.00 0.00 H new ATOM 195 N CYS A 15 4.483 2.783 3.345 1.00 0.00 N ATOM 196 CA CYS A 15 4.973 1.420 3.173 1.00 0.00 C ATOM 197 C CYS A 15 6.455 1.432 2.810 1.00 0.00 C ATOM 198 O CYS A 15 7.252 0.642 3.321 1.00 0.00 O ATOM 199 CB CYS A 15 4.166 0.694 2.094 1.00 0.00 C ATOM 200 SG CYS A 15 4.290 -1.122 2.173 1.00 0.00 S ATOM 0 H CYS A 15 3.700 3.028 2.738 1.00 0.00 H new ATOM 0 HA CYS A 15 4.850 0.886 4.115 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.118 0.981 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.505 1.029 1.114 1.00 0.00 H new ATOM 205 N LEU A 16 6.819 2.370 1.960 1.00 0.00 N ATOM 206 CA LEU A 16 8.198 2.518 1.517 1.00 0.00 C ATOM 207 C LEU A 16 9.109 2.895 2.683 1.00 0.00 C ATOM 208 O LEU A 16 10.298 2.568 2.688 1.00 0.00 O ATOM 209 CB LEU A 16 8.279 3.580 0.420 1.00 0.00 C ATOM 210 CG LEU A 16 8.320 3.038 -1.014 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.207 2.027 -1.240 1.00 0.00 C ATOM 212 CD2 LEU A 16 8.208 4.175 -2.020 1.00 0.00 C ATOM 0 H LEU A 16 6.175 3.050 1.556 1.00 0.00 H new ATOM 0 HA LEU A 16 8.537 1.562 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.420 4.244 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.170 4.185 0.588 1.00 0.00 H new ATOM 0 HG LEU A 16 9.277 2.537 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.255 1.656 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.325 1.195 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.242 2.505 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.239 3.770 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.266 4.703 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.038 4.867 -1.881 1.00 0.00 H new ATOM 224 N SER A 17 8.535 3.555 3.682 1.00 0.00 N ATOM 225 CA SER A 17 9.291 3.981 4.852 1.00 0.00 C ATOM 226 C SER A 17 9.599 2.804 5.778 1.00 0.00 C ATOM 227 O SER A 17 10.489 2.891 6.620 1.00 0.00 O ATOM 228 CB SER A 17 8.522 5.056 5.627 1.00 0.00 C ATOM 229 OG SER A 17 8.059 6.085 4.769 1.00 0.00 O ATOM 0 H SER A 17 7.547 3.807 3.704 1.00 0.00 H new ATOM 0 HA SER A 17 10.234 4.396 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.675 4.600 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.167 5.484 6.395 1.00 0.00 H new ATOM 0 HG SER A 17 7.380 5.724 4.162 1.00 0.00 H new ATOM 235 N ILE A 18 8.879 1.695 5.619 1.00 0.00 N ATOM 236 CA ILE A 18 9.111 0.538 6.475 1.00 0.00 C ATOM 237 C ILE A 18 9.963 -0.516 5.771 1.00 0.00 C ATOM 238 O ILE A 18 9.812 -1.715 6.005 1.00 0.00 O ATOM 239 CB ILE A 18 7.805 -0.100 7.009 1.00 0.00 C ATOM 240 CG1 ILE A 18 6.599 0.291 6.154 1.00 0.00 C ATOM 241 CG2 ILE A 18 7.578 0.314 8.457 1.00 0.00 C ATOM 242 CD1 ILE A 18 5.316 -0.414 6.542 1.00 0.00 C ATOM 0 H ILE A 18 8.146 1.575 4.920 1.00 0.00 H new ATOM 0 HA ILE A 18 9.657 0.917 7.339 1.00 0.00 H new ATOM 0 HB ILE A 18 7.914 -1.183 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.447 1.368 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.821 0.072 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.657 -0.139 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.417 -0.022 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.497 1.399 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.508 -0.083 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.447 -1.491 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.068 -0.175 7.576 1.00 0.00 H new ATOM 254 N GLY A 19 10.839 -0.059 4.882 1.00 0.00 N ATOM 255 CA GLY A 19 11.739 -0.963 4.187 1.00 0.00 C ATOM 256 C GLY A 19 11.213 -1.475 2.860 1.00 0.00 C ATOM 257 O GLY A 19 11.979 -2.007 2.054 1.00 0.00 O ATOM 0 H GLY A 19 10.942 0.924 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.686 -0.452 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.949 -1.815 4.834 1.00 0.00 H new ATOM 261 N ARG A 20 9.927 -1.303 2.610 1.00 0.00 N ATOM 262 CA ARG A 20 9.328 -1.781 1.369 1.00 0.00 C ATOM 263 C ARG A 20 9.743 -0.898 0.192 1.00 0.00 C ATOM 264 O ARG A 20 10.037 0.282 0.366 1.00 0.00 O ATOM 265 CB ARG A 20 7.803 -1.828 1.490 1.00 0.00 C ATOM 266 CG ARG A 20 7.284 -2.968 2.360 1.00 0.00 C ATOM 267 CD ARG A 20 7.373 -2.647 3.847 1.00 0.00 C ATOM 268 NE ARG A 20 6.501 -3.508 4.641 1.00 0.00 N ATOM 269 CZ ARG A 20 6.772 -3.944 5.871 1.00 0.00 C ATOM 270 NH1 ARG A 20 7.895 -3.592 6.489 1.00 0.00 N ATOM 271 NH2 ARG A 20 5.900 -4.734 6.478 1.00 0.00 N ATOM 0 H ARG A 20 9.277 -0.839 3.244 1.00 0.00 H new ATOM 0 HA ARG A 20 9.691 -2.792 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.452 -0.882 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.372 -1.921 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.247 -3.179 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.857 -3.872 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.403 -2.764 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.101 -1.604 4.011 1.00 0.00 H new ATOM 0 HE ARG A 20 5.617 -3.798 4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.564 -2.980 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.088 -3.934 7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.037 -5.000 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.092 -5.077 7.419 1.00 0.00 H new ATOM 285 N LYS A 21 9.815 -1.488 -0.997 1.00 0.00 N ATOM 286 CA LYS A 21 10.200 -0.741 -2.194 1.00 0.00 C ATOM 287 C LYS A 21 9.002 -0.477 -3.093 1.00 0.00 C ATOM 288 O LYS A 21 8.851 0.607 -3.650 1.00 0.00 O ATOM 289 CB LYS A 21 11.289 -1.482 -2.972 1.00 0.00 C ATOM 290 CG LYS A 21 12.694 -1.204 -2.460 1.00 0.00 C ATOM 291 CD LYS A 21 13.128 -2.227 -1.422 1.00 0.00 C ATOM 292 CE LYS A 21 14.179 -1.659 -0.478 1.00 0.00 C ATOM 293 NZ LYS A 21 13.620 -0.585 0.394 1.00 0.00 N ATOM 0 H LYS A 21 9.614 -2.475 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 21 10.596 0.220 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.097 -2.554 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.231 -1.199 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.394 -1.214 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.732 -0.205 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.261 -2.553 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.528 -3.108 -1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.580 -2.460 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.011 -1.260 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.353 -0.259 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.307 0.213 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.810 -0.959 0.929 1.00 0.00 H new ATOM 307 N PHE A 22 8.158 -1.479 -3.232 1.00 0.00 N ATOM 308 CA PHE A 22 6.965 -1.368 -4.060 1.00 0.00 C ATOM 309 C PHE A 22 5.772 -1.947 -3.324 1.00 0.00 C ATOM 310 O PHE A 22 5.926 -2.795 -2.441 1.00 0.00 O ATOM 311 CB PHE A 22 7.124 -2.094 -5.402 1.00 0.00 C ATOM 312 CG PHE A 22 8.529 -2.111 -5.942 1.00 0.00 C ATOM 313 CD1 PHE A 22 9.034 -1.015 -6.624 1.00 0.00 C ATOM 314 CD2 PHE A 22 9.341 -3.222 -5.770 1.00 0.00 C ATOM 315 CE1 PHE A 22 10.323 -1.025 -7.122 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.631 -3.238 -6.266 1.00 0.00 C ATOM 317 CZ PHE A 22 11.123 -2.137 -6.944 1.00 0.00 C ATOM 0 H PHE A 22 8.274 -2.386 -2.781 1.00 0.00 H new ATOM 0 HA PHE A 22 6.810 -0.308 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.780 -3.122 -5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.472 -1.620 -6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.413 -0.143 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.961 -4.084 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.705 -0.164 -7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.254 -4.109 -6.124 1.00 0.00 H new ATOM 0 HZ PHE A 22 12.130 -2.147 -7.333 1.00 0.00 H new ATOM 327 N GLY A 23 4.593 -1.502 -3.714 1.00 0.00 N ATOM 328 CA GLY A 23 3.369 -1.957 -3.092 1.00 0.00 C ATOM 329 C GLY A 23 2.263 -0.936 -3.235 1.00 0.00 C ATOM 330 O GLY A 23 2.538 0.249 -3.414 1.00 0.00 O ATOM 0 H GLY A 23 4.459 -0.822 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.058 -2.898 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.548 -2.155 -2.035 1.00 0.00 H new ATOM 334 N PHE A 24 1.021 -1.395 -3.163 1.00 0.00 N ATOM 335 CA PHE A 24 -0.143 -0.523 -3.294 1.00 0.00 C ATOM 336 C PHE A 24 -1.396 -1.293 -2.909 1.00 0.00 C ATOM 337 O PHE A 24 -1.314 -2.468 -2.556 1.00 0.00 O ATOM 338 CB PHE A 24 -0.275 0.028 -4.725 1.00 0.00 C ATOM 339 CG PHE A 24 -0.388 -1.032 -5.790 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.747 -1.634 -6.313 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.629 -1.423 -6.271 1.00 0.00 C ATOM 342 CE1 PHE A 24 0.645 -2.605 -7.291 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.736 -2.392 -7.249 1.00 0.00 C ATOM 344 CZ PHE A 24 -0.597 -2.984 -7.760 1.00 0.00 C ATOM 0 H PHE A 24 0.790 -2.377 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.014 0.328 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.154 0.671 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.591 0.654 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.722 -1.340 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.523 -0.964 -5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.537 -3.067 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.709 -2.687 -7.614 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.678 -3.742 -8.525 1.00 0.00 H new ATOM 354 N CYS A 25 -2.547 -0.644 -2.971 1.00 0.00 N ATOM 355 CA CYS A 25 -3.802 -1.297 -2.617 1.00 0.00 C ATOM 356 C CYS A 25 -4.116 -2.445 -3.567 1.00 0.00 C ATOM 357 O CYS A 25 -4.489 -2.229 -4.720 1.00 0.00 O ATOM 358 CB CYS A 25 -4.953 -0.294 -2.613 1.00 0.00 C ATOM 359 SG CYS A 25 -4.450 1.422 -2.955 1.00 0.00 S ATOM 0 H CYS A 25 -2.641 0.329 -3.261 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.686 -1.705 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.689 -0.600 -3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.447 -0.329 -1.642 1.00 0.00 H new ATOM 364 N ALA A 26 -3.963 -3.664 -3.065 1.00 0.00 N ATOM 365 CA ALA A 26 -4.220 -4.866 -3.848 1.00 0.00 C ATOM 366 C ALA A 26 -4.317 -6.081 -2.935 1.00 0.00 C ATOM 367 O ALA A 26 -3.902 -6.027 -1.779 1.00 0.00 O ATOM 368 CB ALA A 26 -3.122 -5.075 -4.885 1.00 0.00 C ATOM 0 H ALA A 26 -3.659 -3.847 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.169 -4.740 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.331 -5.977 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.087 -4.217 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.161 -5.180 -4.381 1.00 0.00 H new ATOM 374 N GLY A 27 -4.868 -7.168 -3.455 1.00 0.00 N ATOM 375 CA GLY A 27 -4.996 -8.378 -2.669 1.00 0.00 C ATOM 376 C GLY A 27 -6.419 -8.895 -2.631 1.00 0.00 C ATOM 377 O GLY A 27 -6.868 -9.547 -3.572 1.00 0.00 O ATOM 0 H GLY A 27 -5.229 -7.234 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.344 -9.147 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.655 -8.185 -1.652 1.00 0.00 H new ATOM 381 N PRO A 28 -7.156 -8.617 -1.545 1.00 0.00 N ATOM 382 CA PRO A 28 -8.538 -9.064 -1.394 1.00 0.00 C ATOM 383 C PRO A 28 -9.527 -8.145 -2.108 1.00 0.00 C ATOM 384 O PRO A 28 -9.133 -7.260 -2.867 1.00 0.00 O ATOM 385 CB PRO A 28 -8.744 -8.996 0.117 1.00 0.00 C ATOM 386 CG PRO A 28 -7.876 -7.869 0.562 1.00 0.00 C ATOM 387 CD PRO A 28 -6.695 -7.845 -0.375 1.00 0.00 C ATOM 0 HA PRO A 28 -8.708 -10.050 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.789 -8.815 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.458 -9.931 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.418 -6.924 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.551 -8.013 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.424 -6.826 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.814 -8.297 0.081 1.00 0.00 H new ATOM 395 N LEU A 29 -10.814 -8.339 -1.834 1.00 0.00 N ATOM 396 CA LEU A 29 -11.863 -7.526 -2.444 1.00 0.00 C ATOM 397 C LEU A 29 -12.012 -6.198 -1.703 1.00 0.00 C ATOM 398 O LEU A 29 -13.123 -5.689 -1.520 1.00 0.00 O ATOM 399 CB LEU A 29 -13.195 -8.285 -2.439 1.00 0.00 C ATOM 400 CG LEU A 29 -13.214 -9.577 -3.258 1.00 0.00 C ATOM 401 CD1 LEU A 29 -14.536 -10.302 -3.069 1.00 0.00 C ATOM 402 CD2 LEU A 29 -12.973 -9.279 -4.732 1.00 0.00 C ATOM 0 H LEU A 29 -11.157 -9.054 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.580 -7.318 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.454 -8.524 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.973 -7.623 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.411 -10.224 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.535 -11.219 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.669 -10.547 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.353 -9.660 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.990 -10.210 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.754 -8.615 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.002 -8.799 -4.852 1.00 0.00 H new ATOM 414 N ARG A 30 -10.883 -5.649 -1.276 1.00 0.00 N ATOM 415 CA ARG A 30 -10.845 -4.390 -0.551 1.00 0.00 C ATOM 416 C ARG A 30 -9.600 -3.616 -0.953 1.00 0.00 C ATOM 417 O ARG A 30 -8.547 -4.206 -1.188 1.00 0.00 O ATOM 418 CB ARG A 30 -10.840 -4.626 0.964 1.00 0.00 C ATOM 419 CG ARG A 30 -12.197 -5.014 1.534 1.00 0.00 C ATOM 420 CD ARG A 30 -13.283 -4.041 1.101 1.00 0.00 C ATOM 421 NE ARG A 30 -14.565 -4.320 1.746 1.00 0.00 N ATOM 422 CZ ARG A 30 -15.612 -4.865 1.120 1.00 0.00 C ATOM 423 NH1 ARG A 30 -15.512 -5.239 -0.152 1.00 0.00 N ATOM 424 NH2 ARG A 30 -16.755 -5.048 1.774 1.00 0.00 N ATOM 0 H ARG A 30 -9.965 -6.068 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.737 -3.817 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.121 -5.412 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.494 -3.720 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.457 -6.020 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.142 -5.039 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.973 -3.024 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.404 -4.093 0.019 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.666 -4.084 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.633 -5.110 -0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.314 -5.655 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.832 -4.772 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.555 -5.464 1.297 1.00 0.00 H new ATOM 438 N ALA A 31 -9.723 -2.300 -1.032 1.00 0.00 N ATOM 439 CA ALA A 31 -8.603 -1.455 -1.418 1.00 0.00 C ATOM 440 C ALA A 31 -7.636 -1.244 -0.253 1.00 0.00 C ATOM 441 O ALA A 31 -7.548 -0.148 0.310 1.00 0.00 O ATOM 442 CB ALA A 31 -9.109 -0.124 -1.951 1.00 0.00 C ATOM 0 H ALA A 31 -10.586 -1.794 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.053 -1.962 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.262 0.499 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.741 -0.297 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.687 0.382 -1.178 1.00 0.00 H new ATOM 448 N THR A 32 -6.931 -2.304 0.107 1.00 0.00 N ATOM 449 CA THR A 32 -5.953 -2.261 1.183 1.00 0.00 C ATOM 450 C THR A 32 -4.546 -2.294 0.596 1.00 0.00 C ATOM 451 O THR A 32 -4.257 -3.104 -0.285 1.00 0.00 O ATOM 452 CB THR A 32 -6.142 -3.447 2.149 1.00 0.00 C ATOM 453 OG1 THR A 32 -7.541 -3.643 2.411 1.00 0.00 O ATOM 454 CG2 THR A 32 -5.409 -3.203 3.460 1.00 0.00 C ATOM 0 H THR A 32 -7.020 -3.218 -0.337 1.00 0.00 H new ATOM 0 HA THR A 32 -6.097 -1.337 1.743 1.00 0.00 H new ATOM 0 HB THR A 32 -5.727 -4.339 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.656 -4.399 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.558 -4.054 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.344 -3.078 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.799 -2.302 3.933 1.00 0.00 H new ATOM 462 N CYS A 33 -3.684 -1.399 1.062 1.00 0.00 N ATOM 463 CA CYS A 33 -2.319 -1.326 0.558 1.00 0.00 C ATOM 464 C CYS A 33 -1.495 -2.524 0.996 1.00 0.00 C ATOM 465 O CYS A 33 -1.315 -2.770 2.188 1.00 0.00 O ATOM 466 CB CYS A 33 -1.632 -0.044 1.029 1.00 0.00 C ATOM 467 SG CYS A 33 -2.735 1.398 1.167 1.00 0.00 S ATOM 0 H CYS A 33 -3.905 -0.715 1.786 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.383 -1.325 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.173 -0.229 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.826 0.196 0.336 1.00 0.00 H new ATOM 472 N THR A 34 -1.012 -3.260 0.016 1.00 0.00 N ATOM 473 CA THR A 34 -0.182 -4.421 0.254 1.00 0.00 C ATOM 474 C THR A 34 1.110 -4.285 -0.547 1.00 0.00 C ATOM 475 O THR A 34 1.079 -3.970 -1.743 1.00 0.00 O ATOM 476 CB THR A 34 -0.910 -5.719 -0.143 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.269 -5.677 0.315 1.00 0.00 O ATOM 478 CG2 THR A 34 -0.213 -6.937 0.444 1.00 0.00 C ATOM 0 H THR A 34 -1.185 -3.068 -0.971 1.00 0.00 H new ATOM 0 HA THR A 34 0.043 -4.476 1.319 1.00 0.00 H new ATOM 0 HB THR A 34 -0.892 -5.799 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.874 -5.658 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.748 -7.840 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.811 -6.984 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.202 -6.861 1.531 1.00 0.00 H new ATOM 486 N CYS A 35 2.238 -4.489 0.105 1.00 0.00 N ATOM 487 CA CYS A 35 3.525 -4.370 -0.554 1.00 0.00 C ATOM 488 C CYS A 35 4.150 -5.738 -0.802 1.00 0.00 C ATOM 489 O CYS A 35 3.671 -6.754 -0.296 1.00 0.00 O ATOM 490 CB CYS A 35 4.460 -3.497 0.288 1.00 0.00 C ATOM 491 SG CYS A 35 4.059 -1.718 0.247 1.00 0.00 S ATOM 0 H CYS A 35 2.290 -4.738 1.093 1.00 0.00 H new ATOM 0 HA CYS A 35 3.371 -3.898 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.428 -3.842 1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.483 -3.636 -0.063 1.00 0.00 H new ATOM 496 N GLY A 36 5.226 -5.757 -1.590 1.00 0.00 N ATOM 497 CA GLY A 36 5.910 -7.004 -1.898 1.00 0.00 C ATOM 498 C GLY A 36 6.519 -7.646 -0.670 1.00 0.00 C ATOM 499 O GLY A 36 6.784 -8.846 -0.639 1.00 0.00 O ATOM 0 H GLY A 36 5.636 -4.929 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.206 -7.698 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.693 -6.814 -2.632 1.00 0.00 H new ATOM 503 N LYS A 37 6.755 -6.830 0.338 1.00 0.00 N ATOM 504 CA LYS A 37 7.319 -7.299 1.591 1.00 0.00 C ATOM 505 C LYS A 37 6.365 -6.979 2.729 1.00 0.00 C ATOM 506 O LYS A 37 6.786 -6.479 3.771 1.00 0.00 O ATOM 507 CB LYS A 37 8.689 -6.658 1.847 1.00 0.00 C ATOM 508 CG LYS A 37 9.771 -7.104 0.874 1.00 0.00 C ATOM 509 CD LYS A 37 9.931 -8.619 0.857 1.00 0.00 C ATOM 510 CE LYS A 37 10.375 -9.159 2.209 1.00 0.00 C ATOM 511 NZ LYS A 37 10.376 -10.648 2.240 1.00 0.00 N ATOM 0 H LYS A 37 6.563 -5.829 0.314 1.00 0.00 H new ATOM 0 HA LYS A 37 7.459 -8.378 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.588 -5.574 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.007 -6.896 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.524 -6.754 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.719 -6.642 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.985 -9.081 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.661 -8.898 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.375 -8.791 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.712 -8.780 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.684 -10.975 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.416 -11.000 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.028 -11.010 1.515 1.00 0.00 H new ATOM 525 N GLN A 38 5.083 -7.269 2.496 1.00 0.00 N ATOM 526 CA GLN A 38 4.015 -7.025 3.463 1.00 0.00 C ATOM 527 C GLN A 38 3.694 -5.534 3.517 1.00 0.00 C ATOM 528 O GLN A 38 2.952 -5.064 2.636 1.00 0.00 O ATOM 529 CB GLN A 38 4.381 -7.564 4.856 1.00 0.00 C ATOM 530 CG GLN A 38 3.297 -7.367 5.902 1.00 0.00 C ATOM 531 CD GLN A 38 3.766 -7.732 7.295 1.00 0.00 C ATOM 532 OE1 GLN A 38 4.315 -6.901 8.020 1.00 0.00 O ATOM 533 NE2 GLN A 38 3.555 -8.980 7.682 1.00 0.00 N ATOM 534 OXT GLN A 38 4.205 -4.843 4.421 1.00 0.00 O ATOM 0 H GLN A 38 4.756 -7.683 1.623 1.00 0.00 H new ATOM 0 HA GLN A 38 3.126 -7.564 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.604 -8.628 4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.293 -7.072 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.971 -6.327 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.430 -7.975 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.097 -9.639 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.850 -9.283 8.610 1.00 0.00 H new TER 543 GLN A 38