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+ -171:sc= 1.28 (180deg=1.2) USER MOD Single : A 7 ASN : amide:sc= 0.629 K(o=0.63,f=-1.4) USER MOD Single : A 9 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.82) USER MOD Single : A 12 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.7) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= 1.57 (180deg=0.361) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -169:sc= 0.0186 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.126 2.769 -1.581 1.00 0.00 N ATOM 2 CA GLY A 1 -9.630 1.827 -0.548 1.00 0.00 C ATOM 3 C GLY A 1 -8.976 2.571 0.587 1.00 0.00 C ATOM 4 O GLY A 1 -9.368 3.697 0.878 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.704 2.252 -2.274 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.704 3.506 -1.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.318 3.211 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.458 1.229 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.916 1.135 -0.994 1.00 0.00 H new ATOM 10 N PHE A 2 -7.990 1.949 1.227 1.00 0.00 N ATOM 11 CA PHE A 2 -7.277 2.586 2.330 1.00 0.00 C ATOM 12 C PHE A 2 -6.596 3.858 1.837 1.00 0.00 C ATOM 13 O PHE A 2 -6.780 4.934 2.400 1.00 0.00 O ATOM 14 CB PHE A 2 -6.245 1.624 2.928 1.00 0.00 C ATOM 15 CG PHE A 2 -5.594 2.140 4.183 1.00 0.00 C ATOM 16 CD1 PHE A 2 -6.320 2.259 5.357 1.00 0.00 C ATOM 17 CD2 PHE A 2 -4.258 2.508 4.184 1.00 0.00 C ATOM 18 CE1 PHE A 2 -5.725 2.734 6.510 1.00 0.00 C ATOM 19 CE2 PHE A 2 -3.658 2.983 5.334 1.00 0.00 C ATOM 20 CZ PHE A 2 -4.393 3.097 6.498 1.00 0.00 C ATOM 0 H PHE A 2 -7.667 1.008 1.002 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.992 2.846 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.731 0.673 3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.473 1.425 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.363 1.977 5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.680 2.423 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.301 2.821 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.615 3.265 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.926 3.470 7.398 1.00 0.00 H new ATOM 30 N GLY A 3 -5.811 3.718 0.778 1.00 0.00 N ATOM 31 CA GLY A 3 -5.134 4.860 0.204 1.00 0.00 C ATOM 32 C GLY A 3 -5.619 5.141 -1.202 1.00 0.00 C ATOM 33 O GLY A 3 -6.291 6.142 -1.454 1.00 0.00 O ATOM 0 H GLY A 3 -5.632 2.832 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.301 5.736 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.059 4.679 0.190 1.00 0.00 H new ATOM 37 N CYS A 4 -5.288 4.237 -2.112 1.00 0.00 N ATOM 38 CA CYS A 4 -5.674 4.349 -3.514 1.00 0.00 C ATOM 39 C CYS A 4 -7.192 4.456 -3.668 1.00 0.00 C ATOM 40 O CYS A 4 -7.954 3.865 -2.888 1.00 0.00 O ATOM 41 CB CYS A 4 -5.158 3.124 -4.268 1.00 0.00 C ATOM 42 SG CYS A 4 -3.923 2.164 -3.326 1.00 0.00 S ATOM 0 H CYS A 4 -4.742 3.402 -1.900 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.236 5.258 -3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.000 2.477 -4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.716 3.446 -5.211 1.00 0.00 H new ATOM 47 N PRO A 5 -7.663 5.199 -4.683 1.00 0.00 N ATOM 48 CA PRO A 5 -6.816 5.907 -5.645 1.00 0.00 C ATOM 49 C PRO A 5 -6.551 7.360 -5.257 1.00 0.00 C ATOM 50 O PRO A 5 -6.132 8.167 -6.082 1.00 0.00 O ATOM 51 CB PRO A 5 -7.656 5.876 -6.924 1.00 0.00 C ATOM 52 CG PRO A 5 -9.018 5.374 -6.531 1.00 0.00 C ATOM 53 CD PRO A 5 -9.067 5.377 -5.027 1.00 0.00 C ATOM 0 HA PRO A 5 -5.832 5.445 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.722 6.869 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.203 5.223 -7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.799 6.012 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.187 4.370 -6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.469 6.310 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.689 4.572 -4.637 1.00 0.00 H new ATOM 61 N PHE A 6 -6.822 7.691 -4.011 1.00 0.00 N ATOM 62 CA PHE A 6 -6.626 9.052 -3.532 1.00 0.00 C ATOM 63 C PHE A 6 -5.247 9.236 -2.904 1.00 0.00 C ATOM 64 O PHE A 6 -4.432 10.009 -3.400 1.00 0.00 O ATOM 65 CB PHE A 6 -7.718 9.422 -2.525 1.00 0.00 C ATOM 66 CG PHE A 6 -7.940 10.903 -2.398 1.00 0.00 C ATOM 67 CD1 PHE A 6 -8.645 11.595 -3.371 1.00 0.00 C ATOM 68 CD2 PHE A 6 -7.447 11.603 -1.310 1.00 0.00 C ATOM 69 CE1 PHE A 6 -8.852 12.957 -3.260 1.00 0.00 C ATOM 70 CE2 PHE A 6 -7.651 12.965 -1.192 1.00 0.00 C ATOM 71 CZ PHE A 6 -8.355 13.642 -2.169 1.00 0.00 C ATOM 0 H PHE A 6 -7.178 7.041 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.691 9.718 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.652 8.947 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.453 9.017 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.037 11.064 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.896 11.078 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.402 13.485 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.261 13.499 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.516 14.706 -2.080 1.00 0.00 H new ATOM 81 N ASN A 7 -4.983 8.507 -1.828 1.00 0.00 N ATOM 82 CA ASN A 7 -3.709 8.620 -1.123 1.00 0.00 C ATOM 83 C ASN A 7 -2.848 7.381 -1.338 1.00 0.00 C ATOM 84 O ASN A 7 -2.272 6.830 -0.393 1.00 0.00 O ATOM 85 CB ASN A 7 -3.943 8.832 0.378 1.00 0.00 C ATOM 86 CG ASN A 7 -4.882 9.986 0.676 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.050 9.782 1.009 1.00 0.00 O ATOM 88 ND2 ASN A 7 -4.389 11.207 0.544 1.00 0.00 N ATOM 0 H ASN A 7 -5.631 7.832 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.181 9.483 -1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.352 7.918 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.986 9.014 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.982 12.018 0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.416 11.337 0.266 1.00 0.00 H new ATOM 95 N GLU A 8 -2.752 6.942 -2.583 1.00 0.00 N ATOM 96 CA GLU A 8 -1.966 5.760 -2.905 1.00 0.00 C ATOM 97 C GLU A 8 -0.477 6.042 -2.803 1.00 0.00 C ATOM 98 O GLU A 8 0.292 5.192 -2.352 1.00 0.00 O ATOM 99 CB GLU A 8 -2.308 5.231 -4.296 1.00 0.00 C ATOM 100 CG GLU A 8 -2.582 6.314 -5.323 1.00 0.00 C ATOM 101 CD GLU A 8 -3.146 5.745 -6.605 1.00 0.00 C ATOM 102 OE1 GLU A 8 -4.149 5.003 -6.527 1.00 0.00 O ATOM 103 OE2 GLU A 8 -2.587 6.031 -7.680 1.00 0.00 O ATOM 0 H GLU A 8 -3.205 7.383 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.220 4.994 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.484 4.611 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.184 4.586 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.283 7.039 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.659 6.851 -5.539 1.00 0.00 H new ATOM 110 N ASN A 9 -0.075 7.237 -3.204 1.00 0.00 N ATOM 111 CA ASN A 9 1.327 7.628 -3.148 1.00 0.00 C ATOM 112 C ASN A 9 1.780 7.711 -1.703 1.00 0.00 C ATOM 113 O ASN A 9 2.897 7.321 -1.367 1.00 0.00 O ATOM 114 CB ASN A 9 1.540 8.972 -3.845 1.00 0.00 C ATOM 115 CG ASN A 9 1.854 8.817 -5.319 1.00 0.00 C ATOM 116 OD1 ASN A 9 2.594 7.918 -5.717 1.00 0.00 O ATOM 117 ND2 ASN A 9 1.284 9.685 -6.142 1.00 0.00 N ATOM 0 H ASN A 9 -0.699 7.955 -3.572 1.00 0.00 H new ATOM 0 HA ASN A 9 1.920 6.875 -3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.645 9.583 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.356 9.506 -3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.453 9.622 -7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.677 10.416 -5.772 1.00 0.00 H new ATOM 124 N GLU A 10 0.892 8.196 -0.850 1.00 0.00 N ATOM 125 CA GLU A 10 1.175 8.330 0.567 1.00 0.00 C ATOM 126 C GLU A 10 1.259 6.958 1.213 1.00 0.00 C ATOM 127 O GLU A 10 2.154 6.695 2.016 1.00 0.00 O ATOM 128 CB GLU A 10 0.104 9.184 1.247 1.00 0.00 C ATOM 129 CG GLU A 10 0.009 10.592 0.681 1.00 0.00 C ATOM 130 CD GLU A 10 -1.020 10.713 -0.426 1.00 0.00 C ATOM 131 OE1 GLU A 10 -0.929 9.955 -1.419 1.00 0.00 O ATOM 132 OE2 GLU A 10 -1.927 11.555 -0.298 1.00 0.00 O ATOM 0 H GLU A 10 -0.041 8.506 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 10 2.136 8.830 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.863 8.692 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.319 9.242 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.244 11.285 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.985 10.891 0.298 1.00 0.00 H new ATOM 139 N CYS A 11 0.328 6.079 0.856 1.00 0.00 N ATOM 140 CA CYS A 11 0.332 4.720 1.382 1.00 0.00 C ATOM 141 C CYS A 11 1.612 4.020 0.922 1.00 0.00 C ATOM 142 O CYS A 11 2.257 3.295 1.685 1.00 0.00 O ATOM 143 CB CYS A 11 -0.908 3.952 0.906 1.00 0.00 C ATOM 144 SG CYS A 11 -1.489 2.679 2.076 1.00 0.00 S ATOM 0 H CYS A 11 -0.434 6.282 0.209 1.00 0.00 H new ATOM 0 HA CYS A 11 0.303 4.749 2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.716 4.662 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.684 3.477 -0.049 1.00 0.00 H new ATOM 149 N HIS A 12 1.987 4.289 -0.326 1.00 0.00 N ATOM 150 CA HIS A 12 3.192 3.729 -0.921 1.00 0.00 C ATOM 151 C HIS A 12 4.428 4.272 -0.201 1.00 0.00 C ATOM 152 O HIS A 12 5.317 3.514 0.188 1.00 0.00 O ATOM 153 CB HIS A 12 3.237 4.084 -2.417 1.00 0.00 C ATOM 154 CG HIS A 12 4.244 3.315 -3.220 1.00 0.00 C ATOM 155 ND1 HIS A 12 3.913 2.571 -4.334 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.583 3.201 -3.086 1.00 0.00 C ATOM 157 CE1 HIS A 12 5.009 2.039 -4.847 1.00 0.00 C ATOM 158 NE2 HIS A 12 6.035 2.406 -4.107 1.00 0.00 N ATOM 0 H HIS A 12 1.463 4.901 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 12 3.181 2.644 -0.817 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.249 3.916 -2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.451 5.148 -2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.188 3.654 -2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.055 1.410 -5.724 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.007 2.142 -4.268 1.00 0.00 H new ATOM 167 N ALA A 13 4.468 5.592 -0.021 1.00 0.00 N ATOM 168 CA ALA A 13 5.581 6.251 0.656 1.00 0.00 C ATOM 169 C ALA A 13 5.707 5.752 2.089 1.00 0.00 C ATOM 170 O ALA A 13 6.810 5.538 2.587 1.00 0.00 O ATOM 171 CB ALA A 13 5.401 7.762 0.634 1.00 0.00 C ATOM 0 H ALA A 13 3.736 6.228 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 13 6.499 6.005 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.240 8.236 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.361 8.109 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.473 8.025 1.142 1.00 0.00 H new ATOM 177 N HIS A 14 4.566 5.569 2.746 1.00 0.00 N ATOM 178 CA HIS A 14 4.544 5.062 4.111 1.00 0.00 C ATOM 179 C HIS A 14 5.181 3.688 4.147 1.00 0.00 C ATOM 180 O HIS A 14 6.020 3.395 4.996 1.00 0.00 O ATOM 181 CB HIS A 14 3.111 4.969 4.630 1.00 0.00 C ATOM 182 CG HIS A 14 3.018 4.540 6.064 1.00 0.00 C ATOM 183 ND1 HIS A 14 3.857 5.015 7.053 1.00 0.00 N ATOM 184 CD2 HIS A 14 2.191 3.655 6.672 1.00 0.00 C ATOM 185 CE1 HIS A 14 3.552 4.441 8.201 1.00 0.00 C ATOM 186 NE2 HIS A 14 2.544 3.612 7.998 1.00 0.00 N ATOM 0 H HIS A 14 3.645 5.765 2.354 1.00 0.00 H new ATOM 0 HA HIS A 14 5.102 5.749 4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.629 5.940 4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.555 4.264 4.012 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.401 3.089 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.043 4.619 9.146 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.100 3.033 8.711 1.00 0.00 H new ATOM 195 N CYS A 15 4.758 2.852 3.213 1.00 0.00 N ATOM 196 CA CYS A 15 5.284 1.501 3.089 1.00 0.00 C ATOM 197 C CYS A 15 6.794 1.543 2.887 1.00 0.00 C ATOM 198 O CYS A 15 7.537 0.704 3.406 1.00 0.00 O ATOM 199 CB CYS A 15 4.610 0.783 1.919 1.00 0.00 C ATOM 200 SG CYS A 15 4.014 -0.891 2.311 1.00 0.00 S ATOM 0 H CYS A 15 4.045 3.088 2.523 1.00 0.00 H new ATOM 0 HA CYS A 15 5.071 0.952 4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.768 1.384 1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.316 0.720 1.091 1.00 0.00 H new ATOM 205 N LEU A 16 7.240 2.549 2.155 1.00 0.00 N ATOM 206 CA LEU A 16 8.658 2.740 1.878 1.00 0.00 C ATOM 207 C LEU A 16 9.438 2.994 3.162 1.00 0.00 C ATOM 208 O LEU A 16 10.613 2.637 3.266 1.00 0.00 O ATOM 209 CB LEU A 16 8.857 3.909 0.913 1.00 0.00 C ATOM 210 CG LEU A 16 9.120 3.516 -0.541 1.00 0.00 C ATOM 211 CD1 LEU A 16 8.128 2.462 -0.992 1.00 0.00 C ATOM 212 CD2 LEU A 16 9.044 4.735 -1.448 1.00 0.00 C ATOM 0 H LEU A 16 6.635 3.255 1.736 1.00 0.00 H new ATOM 0 HA LEU A 16 9.036 1.826 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.970 4.542 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.693 4.513 1.266 1.00 0.00 H new ATOM 0 HG LEU A 16 10.125 3.100 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.329 2.193 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.226 1.577 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.115 2.856 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.234 4.434 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.052 5.180 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.792 5.465 -1.139 1.00 0.00 H new ATOM 224 N SER A 17 8.769 3.587 4.146 1.00 0.00 N ATOM 225 CA SER A 17 9.399 3.897 5.419 1.00 0.00 C ATOM 226 C SER A 17 9.536 2.646 6.284 1.00 0.00 C ATOM 227 O SER A 17 10.283 2.637 7.260 1.00 0.00 O ATOM 228 CB SER A 17 8.585 4.958 6.164 1.00 0.00 C ATOM 229 OG SER A 17 7.883 5.795 5.257 1.00 0.00 O ATOM 0 H SER A 17 7.789 3.862 4.083 1.00 0.00 H new ATOM 0 HA SER A 17 10.398 4.284 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.878 4.472 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.249 5.563 6.782 1.00 0.00 H new ATOM 0 HG SER A 17 7.370 6.463 5.758 1.00 0.00 H new ATOM 235 N ILE A 18 8.824 1.582 5.922 1.00 0.00 N ATOM 236 CA ILE A 18 8.886 0.348 6.692 1.00 0.00 C ATOM 237 C ILE A 18 9.632 -0.748 5.934 1.00 0.00 C ATOM 238 O ILE A 18 9.333 -1.936 6.074 1.00 0.00 O ATOM 239 CB ILE A 18 7.488 -0.159 7.123 1.00 0.00 C ATOM 240 CG1 ILE A 18 6.395 0.357 6.183 1.00 0.00 C ATOM 241 CG2 ILE A 18 7.200 0.267 8.556 1.00 0.00 C ATOM 242 CD1 ILE A 18 5.017 -0.190 6.489 1.00 0.00 C ATOM 0 H ILE A 18 8.206 1.551 5.111 1.00 0.00 H new ATOM 0 HA ILE A 18 9.441 0.588 7.599 1.00 0.00 H new ATOM 0 HB ILE A 18 7.488 -1.248 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.364 1.445 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.659 0.098 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.215 -0.093 8.852 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.955 -0.155 9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.224 1.355 8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.297 0.221 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.030 -1.277 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.731 0.091 7.502 1.00 0.00 H new ATOM 254 N GLY A 19 10.585 -0.338 5.105 1.00 0.00 N ATOM 255 CA GLY A 19 11.400 -1.292 4.369 1.00 0.00 C ATOM 256 C GLY A 19 10.853 -1.672 3.004 1.00 0.00 C ATOM 257 O GLY A 19 11.622 -2.046 2.114 1.00 0.00 O ATOM 0 H GLY A 19 10.810 0.641 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.399 -0.874 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.506 -2.197 4.968 1.00 0.00 H new ATOM 261 N ARG A 20 9.547 -1.567 2.821 1.00 0.00 N ATOM 262 CA ARG A 20 8.926 -1.933 1.549 1.00 0.00 C ATOM 263 C ARG A 20 9.387 -1.000 0.430 1.00 0.00 C ATOM 264 O ARG A 20 9.714 0.160 0.672 1.00 0.00 O ATOM 265 CB ARG A 20 7.401 -1.908 1.663 1.00 0.00 C ATOM 266 CG ARG A 20 6.825 -3.029 2.519 1.00 0.00 C ATOM 267 CD ARG A 20 6.775 -2.653 3.992 1.00 0.00 C ATOM 268 NE ARG A 20 5.855 -3.503 4.743 1.00 0.00 N ATOM 269 CZ ARG A 20 6.025 -3.860 6.016 1.00 0.00 C ATOM 270 NH1 ARG A 20 7.105 -3.471 6.689 1.00 0.00 N ATOM 271 NH2 ARG A 20 5.115 -4.611 6.617 1.00 0.00 N ATOM 0 H ARG A 20 8.895 -1.233 3.531 1.00 0.00 H new ATOM 0 HA ARG A 20 9.239 -2.948 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.094 -0.950 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.971 -1.971 0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.820 -3.270 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.430 -3.927 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.774 -2.733 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.468 -1.612 4.090 1.00 0.00 H new ATOM 0 HE ARG A 20 5.025 -3.847 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.811 -2.895 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.227 -3.749 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.286 -4.915 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.243 -4.886 7.591 1.00 0.00 H new ATOM 285 N LYS A 21 9.467 -1.527 -0.785 1.00 0.00 N ATOM 286 CA LYS A 21 9.894 -0.731 -1.932 1.00 0.00 C ATOM 287 C LYS A 21 8.723 -0.401 -2.847 1.00 0.00 C ATOM 288 O LYS A 21 8.652 0.682 -3.429 1.00 0.00 O ATOM 289 CB LYS A 21 11.001 -1.452 -2.700 1.00 0.00 C ATOM 290 CG LYS A 21 12.338 -1.432 -1.975 1.00 0.00 C ATOM 291 CD LYS A 21 12.848 -0.009 -1.797 1.00 0.00 C ATOM 292 CE LYS A 21 13.528 0.187 -0.450 1.00 0.00 C ATOM 293 NZ LYS A 21 12.551 0.209 0.675 1.00 0.00 N ATOM 0 H LYS A 21 9.243 -2.498 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 21 10.292 0.212 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.702 -2.486 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.118 -0.988 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.233 -1.908 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.068 -2.015 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.551 0.227 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.016 0.689 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.248 -0.615 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.089 1.122 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.819 0.950 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.600 0.407 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.551 -0.715 1.153 1.00 0.00 H new ATOM 307 N PHE A 22 7.808 -1.337 -2.972 1.00 0.00 N ATOM 308 CA PHE A 22 6.629 -1.143 -3.800 1.00 0.00 C ATOM 309 C PHE A 22 5.409 -1.695 -3.090 1.00 0.00 C ATOM 310 O PHE A 22 5.525 -2.563 -2.222 1.00 0.00 O ATOM 311 CB PHE A 22 6.756 -1.822 -5.168 1.00 0.00 C ATOM 312 CG PHE A 22 8.143 -1.819 -5.750 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.622 -0.709 -6.428 1.00 0.00 C ATOM 314 CD2 PHE A 22 8.966 -2.927 -5.623 1.00 0.00 C ATOM 315 CE1 PHE A 22 9.893 -0.703 -6.967 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.239 -2.927 -6.160 1.00 0.00 C ATOM 317 CZ PHE A 22 10.704 -1.814 -6.834 1.00 0.00 C ATOM 0 H PHE A 22 7.855 -2.245 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 22 6.528 -0.070 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.418 -2.854 -5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.083 -1.326 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.993 0.162 -6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.608 -3.800 -5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.253 0.169 -7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.870 -3.797 -6.053 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.698 -1.812 -7.256 1.00 0.00 H new ATOM 327 N GLY A 23 4.253 -1.194 -3.477 1.00 0.00 N ATOM 328 CA GLY A 23 3.012 -1.633 -2.882 1.00 0.00 C ATOM 329 C GLY A 23 1.864 -0.704 -3.208 1.00 0.00 C ATOM 330 O GLY A 23 2.080 0.469 -3.531 1.00 0.00 O ATOM 0 H GLY A 23 4.150 -0.483 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.777 -2.637 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.131 -1.695 -1.800 1.00 0.00 H new ATOM 334 N PHE A 24 0.654 -1.234 -3.138 1.00 0.00 N ATOM 335 CA PHE A 24 -0.560 -0.478 -3.415 1.00 0.00 C ATOM 336 C PHE A 24 -1.761 -1.279 -2.937 1.00 0.00 C ATOM 337 O PHE A 24 -1.607 -2.413 -2.497 1.00 0.00 O ATOM 338 CB PHE A 24 -0.695 -0.150 -4.910 1.00 0.00 C ATOM 339 CG PHE A 24 -0.772 -1.359 -5.807 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.379 -2.024 -6.203 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.997 -1.827 -6.258 1.00 0.00 C ATOM 342 CE1 PHE A 24 0.310 -3.131 -7.027 1.00 0.00 C ATOM 343 CE2 PHE A 24 -2.073 -2.933 -7.082 1.00 0.00 C ATOM 344 CZ PHE A 24 -0.918 -3.586 -7.468 1.00 0.00 C ATOM 0 H PHE A 24 0.484 -2.208 -2.886 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.510 0.471 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.590 0.455 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.156 0.460 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.342 -1.672 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.903 -1.320 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.214 -3.640 -7.326 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.034 -3.287 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.975 -4.450 -8.113 1.00 0.00 H new ATOM 354 N CYS A 25 -2.944 -0.698 -3.018 1.00 0.00 N ATOM 355 CA CYS A 25 -4.155 -1.377 -2.576 1.00 0.00 C ATOM 356 C CYS A 25 -4.446 -2.601 -3.434 1.00 0.00 C ATOM 357 O CYS A 25 -4.791 -2.480 -4.609 1.00 0.00 O ATOM 358 CB CYS A 25 -5.347 -0.422 -2.619 1.00 0.00 C ATOM 359 SG CYS A 25 -5.011 1.216 -1.895 1.00 0.00 S ATOM 0 H CYS A 25 -3.095 0.242 -3.385 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.994 -1.706 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.659 -0.293 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.184 -0.877 -2.089 1.00 0.00 H new ATOM 364 N ALA A 26 -4.309 -3.776 -2.839 1.00 0.00 N ATOM 365 CA ALA A 26 -4.556 -5.022 -3.548 1.00 0.00 C ATOM 366 C ALA A 26 -5.452 -5.944 -2.731 1.00 0.00 C ATOM 367 O ALA A 26 -4.983 -6.693 -1.877 1.00 0.00 O ATOM 368 CB ALA A 26 -3.239 -5.712 -3.881 1.00 0.00 C ATOM 0 H ALA A 26 -4.028 -3.893 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.072 -4.789 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.440 -6.643 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.635 -5.059 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.699 -5.929 -2.960 1.00 0.00 H new ATOM 374 N GLY A 27 -6.748 -5.882 -2.994 1.00 0.00 N ATOM 375 CA GLY A 27 -7.684 -6.719 -2.274 1.00 0.00 C ATOM 376 C GLY A 27 -9.098 -6.586 -2.800 1.00 0.00 C ATOM 377 O GLY A 27 -9.692 -5.514 -2.707 1.00 0.00 O ATOM 0 H GLY A 27 -7.168 -5.268 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.368 -7.760 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.666 -6.454 -1.217 1.00 0.00 H new ATOM 381 N PRO A 28 -9.659 -7.662 -3.375 1.00 0.00 N ATOM 382 CA PRO A 28 -11.023 -7.648 -3.911 1.00 0.00 C ATOM 383 C PRO A 28 -12.078 -7.538 -2.810 1.00 0.00 C ATOM 384 O PRO A 28 -13.095 -6.870 -2.975 1.00 0.00 O ATOM 385 CB PRO A 28 -11.139 -8.990 -4.641 1.00 0.00 C ATOM 386 CG PRO A 28 -10.117 -9.868 -4.005 1.00 0.00 C ATOM 387 CD PRO A 28 -8.997 -8.965 -3.566 1.00 0.00 C ATOM 0 HA PRO A 28 -11.198 -6.787 -4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.139 -9.410 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.951 -8.876 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.540 -10.404 -3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.758 -10.619 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.534 -9.319 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.209 -8.909 -4.317 1.00 0.00 H new ATOM 395 N LEU A 29 -11.825 -8.198 -1.685 1.00 0.00 N ATOM 396 CA LEU A 29 -12.750 -8.164 -0.559 1.00 0.00 C ATOM 397 C LEU A 29 -12.561 -6.875 0.229 1.00 0.00 C ATOM 398 O LEU A 29 -13.527 -6.240 0.657 1.00 0.00 O ATOM 399 CB LEU A 29 -12.537 -9.373 0.359 1.00 0.00 C ATOM 400 CG LEU A 29 -12.834 -10.737 -0.273 1.00 0.00 C ATOM 401 CD1 LEU A 29 -11.566 -11.354 -0.843 1.00 0.00 C ATOM 402 CD2 LEU A 29 -13.469 -11.668 0.750 1.00 0.00 C ATOM 0 H LEU A 29 -10.989 -8.762 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 29 -13.767 -8.203 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.503 -9.368 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.167 -9.255 1.240 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.538 -10.590 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.800 -12.322 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.152 -10.695 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.836 -11.488 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.674 -12.633 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.787 -11.806 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.402 -11.232 1.109 1.00 0.00 H new ATOM 414 N ARG A 30 -11.305 -6.502 0.420 1.00 0.00 N ATOM 415 CA ARG A 30 -10.954 -5.288 1.139 1.00 0.00 C ATOM 416 C ARG A 30 -9.805 -4.598 0.424 1.00 0.00 C ATOM 417 O ARG A 30 -8.686 -5.108 0.406 1.00 0.00 O ATOM 418 CB ARG A 30 -10.562 -5.599 2.588 1.00 0.00 C ATOM 419 CG ARG A 30 -11.737 -5.963 3.482 1.00 0.00 C ATOM 420 CD ARG A 30 -12.842 -4.918 3.410 1.00 0.00 C ATOM 421 NE ARG A 30 -13.948 -5.217 4.320 1.00 0.00 N ATOM 422 CZ ARG A 30 -15.147 -5.653 3.924 1.00 0.00 C ATOM 423 NH1 ARG A 30 -15.381 -5.901 2.639 1.00 0.00 N ATOM 424 NH2 ARG A 30 -16.108 -5.859 4.821 1.00 0.00 N ATOM 0 H ARG A 30 -10.502 -7.032 0.081 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.823 -4.630 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.847 -6.422 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.053 -4.733 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.134 -6.934 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.394 -6.060 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.429 -3.939 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.219 -4.861 2.389 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.794 -5.084 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.643 -5.759 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.299 -6.234 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.929 -5.684 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.024 -6.192 4.520 1.00 0.00 H new ATOM 438 N ALA A 31 -10.090 -3.450 -0.175 1.00 0.00 N ATOM 439 CA ALA A 31 -9.083 -2.696 -0.912 1.00 0.00 C ATOM 440 C ALA A 31 -8.095 -1.999 0.022 1.00 0.00 C ATOM 441 O ALA A 31 -8.119 -0.774 0.176 1.00 0.00 O ATOM 442 CB ALA A 31 -9.753 -1.685 -1.831 1.00 0.00 C ATOM 0 H ALA A 31 -11.014 -3.018 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.514 -3.405 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.991 -1.128 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.397 -2.207 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.352 -0.995 -1.237 1.00 0.00 H new ATOM 448 N THR A 32 -7.236 -2.785 0.646 1.00 0.00 N ATOM 449 CA THR A 32 -6.228 -2.260 1.549 1.00 0.00 C ATOM 450 C THR A 32 -4.870 -2.276 0.856 1.00 0.00 C ATOM 451 O THR A 32 -4.679 -2.998 -0.124 1.00 0.00 O ATOM 452 CB THR A 32 -6.165 -3.075 2.861 1.00 0.00 C ATOM 453 OG1 THR A 32 -5.298 -2.430 3.802 1.00 0.00 O ATOM 454 CG2 THR A 32 -5.679 -4.497 2.607 1.00 0.00 C ATOM 0 H THR A 32 -7.217 -3.800 0.542 1.00 0.00 H new ATOM 0 HA THR A 32 -6.498 -1.236 1.808 1.00 0.00 H new ATOM 0 HB THR A 32 -7.174 -3.126 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.267 -2.953 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.646 -5.044 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.362 -4.998 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.681 -4.468 2.169 1.00 0.00 H new ATOM 462 N CYS A 33 -3.936 -1.474 1.344 1.00 0.00 N ATOM 463 CA CYS A 33 -2.613 -1.417 0.744 1.00 0.00 C ATOM 464 C CYS A 33 -1.834 -2.687 1.033 1.00 0.00 C ATOM 465 O CYS A 33 -1.760 -3.147 2.172 1.00 0.00 O ATOM 466 CB CYS A 33 -1.819 -0.214 1.252 1.00 0.00 C ATOM 467 SG CYS A 33 -2.598 1.407 0.943 1.00 0.00 S ATOM 0 H CYS A 33 -4.068 -0.859 2.147 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.754 -1.315 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.663 -0.327 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.835 -0.223 0.784 1.00 0.00 H new ATOM 472 N THR A 34 -1.286 -3.256 -0.016 1.00 0.00 N ATOM 473 CA THR A 34 -0.488 -4.461 0.077 1.00 0.00 C ATOM 474 C THR A 34 0.857 -4.227 -0.598 1.00 0.00 C ATOM 475 O THR A 34 0.916 -3.806 -1.756 1.00 0.00 O ATOM 476 CB THR A 34 -1.204 -5.646 -0.589 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.613 -5.539 -0.357 1.00 0.00 O ATOM 478 CG2 THR A 34 -0.693 -6.971 -0.043 1.00 0.00 C ATOM 0 H THR A 34 -1.381 -2.895 -0.965 1.00 0.00 H new ATOM 0 HA THR A 34 -0.338 -4.701 1.130 1.00 0.00 H new ATOM 0 HB THR A 34 -1.000 -5.618 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.053 -6.373 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.217 -7.792 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.376 -7.056 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.872 -7.015 1.031 1.00 0.00 H new ATOM 486 N CYS A 35 1.932 -4.476 0.126 1.00 0.00 N ATOM 487 CA CYS A 35 3.261 -4.268 -0.413 1.00 0.00 C ATOM 488 C CYS A 35 3.996 -5.589 -0.608 1.00 0.00 C ATOM 489 O CYS A 35 3.538 -6.635 -0.151 1.00 0.00 O ATOM 490 CB CYS A 35 4.050 -3.336 0.504 1.00 0.00 C ATOM 491 SG CYS A 35 3.434 -1.620 0.509 1.00 0.00 S ATOM 0 H CYS A 35 1.911 -4.821 1.086 1.00 0.00 H new ATOM 0 HA CYS A 35 3.166 -3.803 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.017 -3.728 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.095 -3.337 0.196 1.00 0.00 H new ATOM 496 N GLY A 36 5.134 -5.531 -1.299 1.00 0.00 N ATOM 497 CA GLY A 36 5.925 -6.725 -1.562 1.00 0.00 C ATOM 498 C GLY A 36 6.386 -7.425 -0.299 1.00 0.00 C ATOM 499 O GLY A 36 6.575 -8.638 -0.280 1.00 0.00 O ATOM 0 H GLY A 36 5.525 -4.671 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.335 -7.420 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.796 -6.452 -2.157 1.00 0.00 H new ATOM 503 N LYS A 37 6.577 -6.652 0.754 1.00 0.00 N ATOM 504 CA LYS A 37 7.008 -7.196 2.032 1.00 0.00 C ATOM 505 C LYS A 37 5.910 -7.015 3.067 1.00 0.00 C ATOM 506 O LYS A 37 6.191 -6.787 4.245 1.00 0.00 O ATOM 507 CB LYS A 37 8.296 -6.514 2.507 1.00 0.00 C ATOM 508 CG LYS A 37 9.502 -6.799 1.627 1.00 0.00 C ATOM 509 CD LYS A 37 10.804 -6.415 2.316 1.00 0.00 C ATOM 510 CE LYS A 37 11.096 -7.323 3.501 1.00 0.00 C ATOM 511 NZ LYS A 37 12.406 -7.007 4.136 1.00 0.00 N ATOM 0 H LYS A 37 6.440 -5.641 0.751 1.00 0.00 H new ATOM 0 HA LYS A 37 7.210 -8.259 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.133 -5.437 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.515 -6.840 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.524 -7.858 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.409 -6.247 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.625 -6.472 1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.747 -5.380 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.301 -7.222 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.094 -8.362 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.566 -7.648 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.168 -7.128 3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.400 -6.024 4.474 1.00 0.00 H new ATOM 525 N GLN A 38 4.665 -7.121 2.603 1.00 0.00 N ATOM 526 CA GLN A 38 3.489 -6.964 3.453 1.00 0.00 C ATOM 527 C GLN A 38 3.458 -5.564 4.050 1.00 0.00 C ATOM 528 O GLN A 38 3.842 -4.610 3.337 1.00 0.00 O ATOM 529 CB GLN A 38 3.464 -8.022 4.564 1.00 0.00 C ATOM 530 CG GLN A 38 2.844 -9.350 4.146 1.00 0.00 C ATOM 531 CD GLN A 38 3.543 -9.986 2.958 1.00 0.00 C ATOM 532 OE1 GLN A 38 3.135 -9.808 1.813 1.00 0.00 O ATOM 533 NE2 GLN A 38 4.607 -10.728 3.223 1.00 0.00 N ATOM 534 OXT GLN A 38 3.072 -5.422 5.227 1.00 0.00 O ATOM 0 H GLN A 38 4.445 -7.318 1.627 1.00 0.00 H new ATOM 0 HA GLN A 38 2.601 -7.105 2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.484 -8.201 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.910 -7.626 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.874 -10.040 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.794 -9.192 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.915 -10.852 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.119 -11.176 2.463 1.00 0.00 H new TER 543 GLN A 38