USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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 5 GLN :FLIP amide:sc= -0.0203 F(o=-0.8,f=-0.02) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.117 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.83) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1.9!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -10.1! C(o=-10!,f=-19!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.259 3.282 12.359 1.00 0.00 N ATOM 2 CA GLY A 1 1.029 2.158 11.752 1.00 0.00 C ATOM 3 C GLY A 1 0.567 1.943 10.310 1.00 0.00 C ATOM 4 O GLY A 1 0.475 2.873 9.532 1.00 0.00 O ATOM 0 H1 GLY A 1 0.573 3.428 13.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.421 4.150 11.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.755 3.052 12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.096 2.380 11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.881 1.247 12.332 1.00 0.00 H new ATOM 10 N ILE A 2 0.276 0.725 9.946 1.00 0.00 N ATOM 11 CA ILE A 2 -0.179 0.453 8.553 1.00 0.00 C ATOM 12 C ILE A 2 -1.172 -0.712 8.556 1.00 0.00 C ATOM 13 O ILE A 2 -2.264 -0.604 8.039 1.00 0.00 O ATOM 14 CB ILE A 2 1.029 0.101 7.683 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.539 -0.438 6.339 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.878 -0.962 8.379 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.705 -0.480 5.350 1.00 0.00 C ATOM 0 H ILE A 2 0.333 -0.093 10.552 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.668 1.340 8.150 1.00 0.00 H new ATOM 0 HB ILE A 2 1.634 0.994 7.525 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.120 -1.436 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.259 0.195 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.737 -1.208 7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.225 -0.579 9.339 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.278 -1.858 8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.356 -0.864 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.103 0.525 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.488 -1.131 5.738 1.00 0.00 H new ATOM 29 N VAL A 3 -0.805 -1.825 9.133 1.00 0.00 N ATOM 30 CA VAL A 3 -1.734 -2.991 9.163 1.00 0.00 C ATOM 31 C VAL A 3 -2.597 -2.934 10.425 1.00 0.00 C ATOM 32 O VAL A 3 -3.430 -3.787 10.657 1.00 0.00 O ATOM 33 CB VAL A 3 -0.925 -4.290 9.160 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.762 -5.411 8.541 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.347 -4.093 8.335 1.00 0.00 C ATOM 0 H VAL A 3 0.097 -1.977 9.584 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.377 -2.959 8.284 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.660 -4.556 10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.186 -6.336 8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.671 -5.551 9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.026 -5.145 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.925 -5.017 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.080 -3.828 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.944 -3.293 8.773 1.00 0.00 H new ATOM 45 N GLU A 4 -2.409 -1.934 11.239 1.00 0.00 N ATOM 46 CA GLU A 4 -3.223 -1.826 12.482 1.00 0.00 C ATOM 47 C GLU A 4 -4.544 -1.123 12.166 1.00 0.00 C ATOM 48 O GLU A 4 -5.544 -1.333 12.825 1.00 0.00 O ATOM 49 CB GLU A 4 -2.456 -1.025 13.534 1.00 0.00 C ATOM 50 CG GLU A 4 -3.262 -0.989 14.833 1.00 0.00 C ATOM 51 CD GLU A 4 -2.408 -0.384 15.950 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.088 0.790 15.854 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.090 -1.104 16.881 1.00 0.00 O ATOM 0 H GLU A 4 -1.728 -1.188 11.098 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.425 -2.825 12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.480 -1.477 13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.277 -0.011 13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.168 -0.399 14.694 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.576 -1.996 15.106 1.00 0.00 H new ATOM 60 N GLN A 5 -4.558 -0.288 11.163 1.00 0.00 N ATOM 61 CA GLN A 5 -5.813 0.428 10.806 1.00 0.00 C ATOM 62 C GLN A 5 -6.213 0.073 9.373 1.00 0.00 C ATOM 63 O GLN A 5 -6.897 0.824 8.704 1.00 0.00 O ATOM 64 CB GLN A 5 -5.585 1.938 10.910 1.00 0.00 C ATOM 65 CG GLN A 5 -5.794 2.389 12.356 1.00 0.00 C ATOM 66 CD GLN A 5 -6.223 3.858 12.374 1.00 0.00 C ATOM 67 OE1 GLN A 5 -5.931 4.623 11.359 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -6.830 4.313 13.324 1.00 0.00 N flip ATOM 0 H GLN A 5 -3.753 -0.071 10.575 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.608 0.131 11.490 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.576 2.187 10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.273 2.466 10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.554 1.771 12.835 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.873 2.261 12.925 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.058 3.714 14.118 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.111 5.293 13.327 1.00 0.00 H new ATOM 77 N CYS A 6 -5.790 -1.065 8.893 1.00 0.00 N ATOM 78 CA CYS A 6 -6.146 -1.462 7.502 1.00 0.00 C ATOM 79 C CYS A 6 -6.566 -2.933 7.475 1.00 0.00 C ATOM 80 O CYS A 6 -6.836 -3.491 6.430 1.00 0.00 O ATOM 81 CB CYS A 6 -4.935 -1.264 6.591 1.00 0.00 C ATOM 82 SG CYS A 6 -5.057 0.341 5.768 1.00 0.00 S ATOM 0 H CYS A 6 -5.215 -1.735 9.403 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.973 -0.844 7.152 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.015 -1.317 7.174 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.889 -2.062 5.850 1.00 0.00 H new ATOM 87 N CYS A 7 -6.624 -3.568 8.613 1.00 0.00 N ATOM 88 CA CYS A 7 -7.028 -5.001 8.645 1.00 0.00 C ATOM 89 C CYS A 7 -8.460 -5.113 9.175 1.00 0.00 C ATOM 90 O CYS A 7 -8.945 -6.189 9.463 1.00 0.00 O ATOM 91 CB CYS A 7 -6.078 -5.777 9.558 1.00 0.00 C ATOM 92 SG CYS A 7 -6.554 -7.524 9.581 1.00 0.00 S ATOM 0 H CYS A 7 -6.409 -3.157 9.521 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.981 -5.418 7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.052 -5.673 9.205 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.111 -5.367 10.567 1.00 0.00 H new ATOM 97 N THR A 8 -9.143 -4.008 9.301 1.00 0.00 N ATOM 98 CA THR A 8 -10.543 -4.047 9.808 1.00 0.00 C ATOM 99 C THR A 8 -11.505 -3.721 8.663 1.00 0.00 C ATOM 100 O THR A 8 -12.579 -4.281 8.561 1.00 0.00 O ATOM 101 CB THR A 8 -10.711 -3.013 10.925 1.00 0.00 C ATOM 102 OG1 THR A 8 -10.367 -1.726 10.431 1.00 0.00 O ATOM 103 CG2 THR A 8 -9.800 -3.374 12.098 1.00 0.00 C ATOM 0 H THR A 8 -8.790 -3.078 9.074 1.00 0.00 H new ATOM 0 HA THR A 8 -10.762 -5.041 10.198 1.00 0.00 H new ATOM 0 HB THR A 8 -11.747 -3.007 11.263 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.475 -1.062 11.144 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.920 -2.637 12.892 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.067 -4.361 12.475 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.762 -3.381 11.764 1.00 0.00 H new ATOM 111 N SER A 9 -11.127 -2.820 7.797 1.00 0.00 N ATOM 112 CA SER A 9 -12.016 -2.459 6.658 1.00 0.00 C ATOM 113 C SER A 9 -11.197 -2.419 5.366 1.00 0.00 C ATOM 114 O SER A 9 -10.005 -2.660 5.368 1.00 0.00 O ATOM 115 CB SER A 9 -12.633 -1.082 6.910 1.00 0.00 C ATOM 116 OG SER A 9 -11.595 -0.113 7.006 1.00 0.00 O ATOM 0 H SER A 9 -10.240 -2.318 7.830 1.00 0.00 H new ATOM 0 HA SER A 9 -12.808 -3.202 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.315 -0.822 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.220 -1.096 7.829 1.00 0.00 H new ATOM 0 HG SER A 9 -11.987 0.771 7.166 1.00 0.00 H new ATOM 122 N ILE A 10 -11.823 -2.114 4.263 1.00 0.00 N ATOM 123 CA ILE A 10 -11.077 -2.058 2.976 1.00 0.00 C ATOM 124 C ILE A 10 -10.453 -0.674 2.802 1.00 0.00 C ATOM 125 O ILE A 10 -11.009 0.193 2.157 1.00 0.00 O ATOM 126 CB ILE A 10 -12.026 -2.340 1.818 1.00 0.00 C ATOM 127 CG1 ILE A 10 -11.317 -2.038 0.506 1.00 0.00 C ATOM 128 CG2 ILE A 10 -13.279 -1.477 1.918 1.00 0.00 C ATOM 129 CD1 ILE A 10 -11.726 -3.093 -0.502 1.00 0.00 C ATOM 0 H ILE A 10 -12.818 -1.901 4.198 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.288 -2.810 2.986 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.321 -3.389 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.586 -1.044 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.236 -2.044 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.940 -1.697 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.795 -1.692 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.999 -0.424 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.230 -2.899 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.436 -4.078 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.806 -3.062 -0.643 1.00 0.00 H new ATOM 141 N CYS A 11 -9.300 -0.457 3.372 1.00 0.00 N ATOM 142 CA CYS A 11 -8.641 0.871 3.238 1.00 0.00 C ATOM 143 C CYS A 11 -7.886 0.936 1.910 1.00 0.00 C ATOM 144 O CYS A 11 -7.473 -0.072 1.371 1.00 0.00 O ATOM 145 CB CYS A 11 -7.655 1.069 4.394 1.00 0.00 C ATOM 146 SG CYS A 11 -6.228 -0.023 4.165 1.00 0.00 S ATOM 0 H CYS A 11 -8.786 -1.143 3.925 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.397 1.655 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.328 2.108 4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.144 0.852 5.344 1.00 0.00 H new ATOM 151 N SER A 12 -7.695 2.113 1.383 1.00 0.00 N ATOM 152 CA SER A 12 -6.955 2.238 0.096 1.00 0.00 C ATOM 153 C SER A 12 -5.458 2.341 0.393 1.00 0.00 C ATOM 154 O SER A 12 -5.037 2.278 1.531 1.00 0.00 O ATOM 155 CB SER A 12 -7.421 3.493 -0.641 1.00 0.00 C ATOM 156 OG SER A 12 -7.007 4.644 0.083 1.00 0.00 O ATOM 0 H SER A 12 -8.018 2.992 1.786 1.00 0.00 H new ATOM 0 HA SER A 12 -7.147 1.365 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.004 3.513 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.506 3.486 -0.745 1.00 0.00 H new ATOM 0 HG SER A 12 -7.303 5.451 -0.388 1.00 0.00 H new ATOM 162 N LEU A 13 -4.648 2.500 -0.617 1.00 0.00 N ATOM 163 CA LEU A 13 -3.182 2.608 -0.377 1.00 0.00 C ATOM 164 C LEU A 13 -2.840 4.030 0.074 1.00 0.00 C ATOM 165 O LEU A 13 -1.690 4.378 0.240 1.00 0.00 O ATOM 166 CB LEU A 13 -2.428 2.277 -1.666 1.00 0.00 C ATOM 167 CG LEU A 13 -2.268 0.760 -1.782 1.00 0.00 C ATOM 168 CD1 LEU A 13 -3.036 0.254 -3.004 1.00 0.00 C ATOM 169 CD2 LEU A 13 -0.787 0.413 -1.934 1.00 0.00 C ATOM 0 H LEU A 13 -4.936 2.560 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.888 1.905 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.971 2.664 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.450 2.758 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.663 0.286 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.920 -0.827 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.093 0.499 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.643 0.729 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.673 -0.668 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.392 0.889 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.238 0.770 -1.062 1.00 0.00 H new ATOM 181 N TYR A 14 -3.832 4.856 0.275 1.00 0.00 N ATOM 182 CA TYR A 14 -3.559 6.252 0.719 1.00 0.00 C ATOM 183 C TYR A 14 -2.963 6.230 2.130 1.00 0.00 C ATOM 184 O TYR A 14 -2.510 7.236 2.638 1.00 0.00 O ATOM 185 CB TYR A 14 -4.870 7.047 0.727 1.00 0.00 C ATOM 186 CG TYR A 14 -4.672 8.346 1.474 1.00 0.00 C ATOM 187 CD1 TYR A 14 -4.202 9.480 0.799 1.00 0.00 C ATOM 188 CD2 TYR A 14 -4.959 8.417 2.843 1.00 0.00 C ATOM 189 CE1 TYR A 14 -4.019 10.682 1.492 1.00 0.00 C ATOM 190 CE2 TYR A 14 -4.777 9.620 3.535 1.00 0.00 C ATOM 191 CZ TYR A 14 -4.307 10.753 2.860 1.00 0.00 C ATOM 192 OH TYR A 14 -4.127 11.938 3.545 1.00 0.00 O ATOM 0 H TYR A 14 -4.818 4.624 0.151 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.853 6.723 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.191 7.249 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.659 6.461 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.981 9.427 -0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.321 7.543 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.655 11.555 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.999 9.674 4.590 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.375 11.813 4.485 1.00 0.00 H new ATOM 202 N GLN A 15 -2.962 5.091 2.769 1.00 0.00 N ATOM 203 CA GLN A 15 -2.399 5.009 4.146 1.00 0.00 C ATOM 204 C GLN A 15 -0.896 4.724 4.070 1.00 0.00 C ATOM 205 O GLN A 15 -0.097 5.409 4.679 1.00 0.00 O ATOM 206 CB GLN A 15 -3.091 3.880 4.914 1.00 0.00 C ATOM 207 CG GLN A 15 -3.418 4.356 6.332 1.00 0.00 C ATOM 208 CD GLN A 15 -3.621 3.144 7.243 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.745 2.310 7.369 1.00 0.00 O ATOM 210 NE2 GLN A 15 -4.747 3.010 7.890 1.00 0.00 N ATOM 0 H GLN A 15 -3.327 4.214 2.396 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.564 5.956 4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.004 3.581 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.445 3.003 4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.609 4.979 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.318 4.972 6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.482 3.709 7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.892 2.206 8.501 1.00 0.00 H new ATOM 219 N LEU A 16 -0.503 3.723 3.331 1.00 0.00 N ATOM 220 CA LEU A 16 0.954 3.408 3.230 1.00 0.00 C ATOM 221 C LEU A 16 1.563 4.128 2.024 1.00 0.00 C ATOM 222 O LEU A 16 2.684 3.862 1.634 1.00 0.00 O ATOM 223 CB LEU A 16 1.187 1.889 3.109 1.00 0.00 C ATOM 224 CG LEU A 16 0.226 1.228 2.103 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.101 0.905 2.788 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.019 2.146 0.897 1.00 0.00 C ATOM 0 H LEU A 16 -1.121 3.113 2.796 1.00 0.00 H new ATOM 0 HA LEU A 16 1.440 3.755 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.216 1.705 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.061 1.425 4.087 1.00 0.00 H new ATOM 0 HG LEU A 16 0.683 0.305 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.776 0.438 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.925 0.222 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.550 1.825 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.701 1.658 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.458 3.084 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.928 2.349 0.396 1.00 0.00 H new ATOM 238 N GLU A 17 0.842 5.043 1.436 1.00 0.00 N ATOM 239 CA GLU A 17 1.391 5.781 0.263 1.00 0.00 C ATOM 240 C GLU A 17 2.507 6.717 0.730 1.00 0.00 C ATOM 241 O GLU A 17 3.186 7.336 -0.065 1.00 0.00 O ATOM 242 CB GLU A 17 0.277 6.603 -0.392 1.00 0.00 C ATOM 243 CG GLU A 17 -0.399 5.770 -1.482 1.00 0.00 C ATOM 244 CD GLU A 17 0.109 6.211 -2.855 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.032 7.007 -2.897 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.436 5.747 -3.844 1.00 0.00 O ATOM 0 H GLU A 17 -0.101 5.311 1.716 1.00 0.00 H new ATOM 0 HA GLU A 17 1.789 5.070 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.455 6.904 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.689 7.517 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.188 4.712 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.481 5.891 -1.427 1.00 0.00 H new ATOM 253 N ASN A 18 2.710 6.819 2.017 1.00 0.00 N ATOM 254 CA ASN A 18 3.789 7.705 2.533 1.00 0.00 C ATOM 255 C ASN A 18 5.034 6.859 2.777 1.00 0.00 C ATOM 256 O ASN A 18 6.152 7.317 2.641 1.00 0.00 O ATOM 257 CB ASN A 18 3.337 8.351 3.845 1.00 0.00 C ATOM 258 CG ASN A 18 3.235 9.867 3.662 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.964 10.616 4.280 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.352 10.355 2.833 1.00 0.00 N ATOM 0 H ASN A 18 2.174 6.326 2.731 1.00 0.00 H new ATOM 0 HA ASN A 18 4.009 8.490 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.372 7.945 4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.045 8.117 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.275 11.364 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.739 9.727 2.313 1.00 0.00 H new ATOM 267 N TYR A 19 4.843 5.620 3.130 1.00 0.00 N ATOM 268 CA TYR A 19 5.999 4.722 3.379 1.00 0.00 C ATOM 269 C TYR A 19 6.769 4.519 2.072 1.00 0.00 C ATOM 270 O TYR A 19 7.983 4.492 2.051 1.00 0.00 O ATOM 271 CB TYR A 19 5.482 3.373 3.879 1.00 0.00 C ATOM 272 CG TYR A 19 5.172 3.465 5.355 1.00 0.00 C ATOM 273 CD1 TYR A 19 6.197 3.723 6.272 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.857 3.291 5.802 1.00 0.00 C ATOM 275 CE1 TYR A 19 5.906 3.807 7.639 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.567 3.376 7.170 1.00 0.00 C ATOM 277 CZ TYR A 19 4.592 3.633 8.087 1.00 0.00 C ATOM 278 OH TYR A 19 4.305 3.717 9.435 1.00 0.00 O ATOM 0 H TYR A 19 3.927 5.189 3.257 1.00 0.00 H new ATOM 0 HA TYR A 19 6.659 5.163 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.587 3.087 3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.227 2.598 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.211 3.857 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.067 3.091 5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.696 4.006 8.348 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.553 3.243 7.517 1.00 0.00 H new ATOM 0 HH TYR A 19 3.346 3.573 9.575 1.00 0.00 H new ATOM 288 N CYS A 20 6.066 4.380 0.980 1.00 0.00 N ATOM 289 CA CYS A 20 6.749 4.180 -0.329 1.00 0.00 C ATOM 290 C CYS A 20 7.134 5.541 -0.916 1.00 0.00 C ATOM 291 O CYS A 20 6.592 6.563 -0.545 1.00 0.00 O ATOM 292 CB CYS A 20 5.798 3.454 -1.288 1.00 0.00 C ATOM 293 SG CYS A 20 6.470 3.503 -2.968 1.00 0.00 S ATOM 0 H CYS A 20 5.047 4.396 0.939 1.00 0.00 H new ATOM 0 HA CYS A 20 7.649 3.582 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.664 2.420 -0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.815 3.924 -1.265 1.00 0.00 H new ATOM 298 N ASN A 21 8.064 5.561 -1.832 1.00 0.00 N ATOM 299 CA ASN A 21 8.484 6.855 -2.443 1.00 0.00 C ATOM 300 C ASN A 21 7.679 7.099 -3.722 1.00 0.00 C ATOM 301 O ASN A 21 8.016 6.503 -4.732 1.00 0.00 O ATOM 302 CB ASN A 21 9.974 6.801 -2.782 1.00 0.00 C ATOM 303 CG ASN A 21 10.534 8.221 -2.862 1.00 0.00 C ATOM 304 OD1 ASN A 21 10.853 8.819 -1.853 1.00 0.00 O ATOM 305 ND2 ASN A 21 10.667 8.794 -4.028 1.00 0.00 N ATOM 0 H ASN A 21 8.551 4.737 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 21 8.302 7.665 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.509 6.230 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.123 6.287 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.038 9.742 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.400 8.294 -4.876 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N GLU B 1 -13.185 -8.479 -7.881 1.00 0.00 N ATOM 314 CA GLU B 1 -13.416 -9.739 -7.119 1.00 0.00 C ATOM 315 C GLU B 1 -14.195 -9.423 -5.839 1.00 0.00 C ATOM 316 O GLU B 1 -15.407 -9.500 -5.803 1.00 0.00 O ATOM 317 CB GLU B 1 -12.072 -10.370 -6.754 1.00 0.00 C ATOM 318 CG GLU B 1 -11.784 -11.541 -7.696 1.00 0.00 C ATOM 319 CD GLU B 1 -10.697 -11.137 -8.694 1.00 0.00 C ATOM 320 OE1 GLU B 1 -10.982 -10.317 -9.550 1.00 0.00 O ATOM 321 OE2 GLU B 1 -9.599 -11.657 -8.585 1.00 0.00 O ATOM 0 H1 GLU B 1 -12.656 -8.691 -8.751 1.00 0.00 H new ATOM 0 H2 GLU B 1 -14.100 -8.050 -8.128 1.00 0.00 H new ATOM 0 H3 GLU B 1 -12.638 -7.815 -7.297 1.00 0.00 H new ATOM 0 HA GLU B 1 -13.988 -10.435 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -11.278 -9.627 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -12.090 -10.717 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -11.462 -12.411 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -12.692 -11.827 -8.227 1.00 0.00 H new ATOM 330 N VAL B 2 -13.505 -9.069 -4.790 1.00 0.00 N ATOM 331 CA VAL B 2 -14.201 -8.748 -3.513 1.00 0.00 C ATOM 332 C VAL B 2 -13.215 -8.083 -2.550 1.00 0.00 C ATOM 333 O VAL B 2 -12.061 -7.883 -2.871 1.00 0.00 O ATOM 334 CB VAL B 2 -14.738 -10.035 -2.886 1.00 0.00 C ATOM 335 CG1 VAL B 2 -16.120 -10.348 -3.465 1.00 0.00 C ATOM 336 CG2 VAL B 2 -13.783 -11.189 -3.194 1.00 0.00 C ATOM 0 H VAL B 2 -12.489 -8.988 -4.762 1.00 0.00 H new ATOM 0 HA VAL B 2 -15.030 -8.069 -3.711 1.00 0.00 H new ATOM 0 HB VAL B 2 -14.817 -9.907 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -16.503 -11.266 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -16.801 -9.526 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -16.042 -10.476 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -14.165 -12.107 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -13.703 -11.317 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -12.799 -10.967 -2.781 1.00 0.00 H new ATOM 346 N ASN B 3 -13.660 -7.740 -1.373 1.00 0.00 N ATOM 347 CA ASN B 3 -12.746 -7.089 -0.393 1.00 0.00 C ATOM 348 C ASN B 3 -11.599 -8.041 -0.053 1.00 0.00 C ATOM 349 O ASN B 3 -11.812 -9.150 0.399 1.00 0.00 O ATOM 350 CB ASN B 3 -13.523 -6.751 0.880 1.00 0.00 C ATOM 351 CG ASN B 3 -14.682 -5.814 0.537 1.00 0.00 C ATOM 352 OD1 ASN B 3 -14.748 -5.287 -0.556 1.00 0.00 O ATOM 353 ND2 ASN B 3 -15.603 -5.581 1.431 1.00 0.00 N ATOM 0 H ASN B 3 -14.616 -7.882 -1.048 1.00 0.00 H new ATOM 0 HA ASN B 3 -12.341 -6.174 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.903 -7.663 1.340 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.863 -6.279 1.607 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -16.379 -4.956 1.213 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.547 -6.024 2.348 1.00 0.00 H new ATOM 360 N GLN B 4 -10.383 -7.619 -0.264 1.00 0.00 N ATOM 361 CA GLN B 4 -9.222 -8.499 0.050 1.00 0.00 C ATOM 362 C GLN B 4 -8.760 -8.235 1.483 1.00 0.00 C ATOM 363 O GLN B 4 -8.361 -9.136 2.194 1.00 0.00 O ATOM 364 CB GLN B 4 -8.078 -8.202 -0.919 1.00 0.00 C ATOM 365 CG GLN B 4 -7.607 -6.759 -0.727 1.00 0.00 C ATOM 366 CD GLN B 4 -7.045 -6.225 -2.045 1.00 0.00 C ATOM 367 OE1 GLN B 4 -7.537 -5.250 -2.579 1.00 0.00 O ATOM 368 NE2 GLN B 4 -6.026 -6.826 -2.597 1.00 0.00 N ATOM 0 H GLN B 4 -10.143 -6.702 -0.641 1.00 0.00 H new ATOM 0 HA GLN B 4 -9.518 -9.543 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -7.252 -8.891 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -8.409 -8.354 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -8.437 -6.136 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -6.844 -6.715 0.050 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -5.613 -7.644 -2.149 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -5.643 -6.477 -3.476 1.00 0.00 H new ATOM 377 N HIS B 5 -8.809 -7.004 1.914 1.00 0.00 N ATOM 378 CA HIS B 5 -8.372 -6.679 3.301 1.00 0.00 C ATOM 379 C HIS B 5 -6.863 -6.897 3.426 1.00 0.00 C ATOM 380 O HIS B 5 -6.287 -7.726 2.749 1.00 0.00 O ATOM 381 CB HIS B 5 -9.102 -7.587 4.293 1.00 0.00 C ATOM 382 CG HIS B 5 -9.895 -6.746 5.256 1.00 0.00 C ATOM 383 ND1 HIS B 5 -10.726 -7.305 6.216 1.00 0.00 N ATOM 384 CD2 HIS B 5 -9.996 -5.386 5.422 1.00 0.00 C ATOM 385 CE1 HIS B 5 -11.284 -6.295 6.907 1.00 0.00 C ATOM 386 NE2 HIS B 5 -10.873 -5.104 6.464 1.00 0.00 N ATOM 0 H HIS B 5 -9.133 -6.208 1.364 1.00 0.00 H new ATOM 0 HA HIS B 5 -8.608 -5.638 3.520 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -9.764 -8.268 3.759 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -8.384 -8.201 4.836 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -10.885 -8.301 6.370 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -9.473 -4.647 4.832 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -11.980 -6.431 7.721 1.00 0.00 H new ATOM 394 N LEU B 6 -6.220 -6.160 4.289 1.00 0.00 N ATOM 395 CA LEU B 6 -4.749 -6.324 4.460 1.00 0.00 C ATOM 396 C LEU B 6 -4.448 -6.712 5.909 1.00 0.00 C ATOM 397 O LEU B 6 -4.968 -6.129 6.839 1.00 0.00 O ATOM 398 CB LEU B 6 -4.047 -5.004 4.126 1.00 0.00 C ATOM 399 CG LEU B 6 -4.564 -4.477 2.788 1.00 0.00 C ATOM 400 CD1 LEU B 6 -5.529 -3.314 3.035 1.00 0.00 C ATOM 401 CD2 LEU B 6 -3.387 -3.989 1.942 1.00 0.00 C ATOM 0 H LEU B 6 -6.650 -5.451 4.883 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.387 -7.105 3.792 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -4.231 -4.273 4.913 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.969 -5.155 4.077 1.00 0.00 H new ATOM 0 HG LEU B 6 -5.085 -5.277 2.261 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -5.898 -2.938 2.081 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -6.369 -3.660 3.638 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -5.008 -2.515 3.563 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -3.756 -3.613 0.988 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.866 -3.190 2.470 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.699 -4.816 1.765 1.00 0.00 H new ATOM 413 N CYS B 7 -3.614 -7.697 6.110 1.00 0.00 N ATOM 414 CA CYS B 7 -3.286 -8.122 7.501 1.00 0.00 C ATOM 415 C CYS B 7 -1.975 -8.916 7.509 1.00 0.00 C ATOM 416 O CYS B 7 -1.801 -9.828 8.292 1.00 0.00 O ATOM 417 CB CYS B 7 -4.414 -9.001 8.040 1.00 0.00 C ATOM 418 SG CYS B 7 -4.801 -8.514 9.739 1.00 0.00 S ATOM 0 H CYS B 7 -3.147 -8.225 5.373 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.174 -7.239 8.130 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -5.299 -8.901 7.411 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.118 -10.050 8.010 1.00 0.00 H new ATOM 423 N GLY B 8 -1.049 -8.578 6.651 1.00 0.00 N ATOM 424 CA GLY B 8 0.245 -9.322 6.625 1.00 0.00 C ATOM 425 C GLY B 8 0.753 -9.431 5.186 1.00 0.00 C ATOM 426 O GLY B 8 0.907 -8.445 4.495 1.00 0.00 O ATOM 0 H GLY B 8 -1.131 -7.823 5.970 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.982 -8.809 7.242 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.111 -10.317 7.049 1.00 0.00 H new ATOM 430 N SER B 9 1.013 -10.628 4.729 1.00 0.00 N ATOM 431 CA SER B 9 1.508 -10.803 3.332 1.00 0.00 C ATOM 432 C SER B 9 0.645 -9.971 2.383 1.00 0.00 C ATOM 433 O SER B 9 1.075 -9.584 1.315 1.00 0.00 O ATOM 434 CB SER B 9 1.421 -12.279 2.940 1.00 0.00 C ATOM 435 OG SER B 9 2.118 -13.061 3.901 1.00 0.00 O ATOM 0 H SER B 9 0.904 -11.491 5.262 1.00 0.00 H new ATOM 0 HA SER B 9 2.545 -10.473 3.268 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.378 -12.592 2.886 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.851 -12.430 1.950 1.00 0.00 H new ATOM 0 HG SER B 9 2.063 -14.008 3.654 1.00 0.00 H new ATOM 441 N GLU B 10 -0.566 -9.683 2.770 1.00 0.00 N ATOM 442 CA GLU B 10 -1.450 -8.862 1.889 1.00 0.00 C ATOM 443 C GLU B 10 -0.995 -7.402 1.951 1.00 0.00 C ATOM 444 O GLU B 10 -0.850 -6.746 0.940 1.00 0.00 O ATOM 445 CB GLU B 10 -2.929 -8.957 2.315 1.00 0.00 C ATOM 446 CG GLU B 10 -3.103 -9.893 3.516 1.00 0.00 C ATOM 447 CD GLU B 10 -4.576 -9.927 3.928 1.00 0.00 C ATOM 448 OE1 GLU B 10 -5.016 -8.983 4.564 1.00 0.00 O ATOM 449 OE2 GLU B 10 -5.238 -10.898 3.600 1.00 0.00 O ATOM 0 H GLU B 10 -0.983 -9.978 3.653 1.00 0.00 H new ATOM 0 HA GLU B 10 -1.371 -9.246 0.872 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -3.301 -7.964 2.568 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -3.528 -9.319 1.479 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -2.763 -10.897 3.261 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -2.489 -9.551 4.349 1.00 0.00 H new ATOM 456 N LEU B 11 -0.752 -6.890 3.128 1.00 0.00 N ATOM 457 CA LEU B 11 -0.290 -5.477 3.238 1.00 0.00 C ATOM 458 C LEU B 11 0.888 -5.273 2.284 1.00 0.00 C ATOM 459 O LEU B 11 0.978 -4.283 1.585 1.00 0.00 O ATOM 460 CB LEU B 11 0.173 -5.193 4.672 1.00 0.00 C ATOM 461 CG LEU B 11 -0.218 -3.773 5.101 1.00 0.00 C ATOM 462 CD1 LEU B 11 -0.135 -2.819 3.908 1.00 0.00 C ATOM 463 CD2 LEU B 11 -1.640 -3.779 5.663 1.00 0.00 C ATOM 0 H LEU B 11 -0.853 -7.386 4.013 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.107 -4.802 2.983 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.272 -5.919 5.353 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.254 -5.313 4.740 1.00 0.00 H new ATOM 0 HG LEU B 11 0.473 -3.432 5.872 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.415 -1.814 4.225 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.884 -2.807 3.522 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.815 -3.155 3.125 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.915 -2.769 5.967 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.332 -4.129 4.897 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.687 -4.443 6.526 1.00 0.00 H new ATOM 475 N VAL B 12 1.794 -6.213 2.257 1.00 0.00 N ATOM 476 CA VAL B 12 2.976 -6.101 1.359 1.00 0.00 C ATOM 477 C VAL B 12 2.524 -6.204 -0.104 1.00 0.00 C ATOM 478 O VAL B 12 3.057 -5.544 -0.973 1.00 0.00 O ATOM 479 CB VAL B 12 3.982 -7.217 1.725 1.00 0.00 C ATOM 480 CG1 VAL B 12 4.220 -8.176 0.552 1.00 0.00 C ATOM 481 CG2 VAL B 12 5.313 -6.572 2.118 1.00 0.00 C ATOM 0 H VAL B 12 1.764 -7.060 2.824 1.00 0.00 H new ATOM 0 HA VAL B 12 3.466 -5.135 1.486 1.00 0.00 H new ATOM 0 HB VAL B 12 3.566 -7.792 2.552 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.933 -8.945 0.850 1.00 0.00 H new ATOM 0 HG12 VAL B 12 3.278 -8.645 0.268 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.619 -7.621 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.031 -7.349 2.378 1.00 0.00 H new ATOM 0 HG22 VAL B 12 5.697 -5.990 1.280 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.161 -5.917 2.976 1.00 0.00 H new ATOM 491 N GLU B 13 1.551 -7.025 -0.382 1.00 0.00 N ATOM 492 CA GLU B 13 1.075 -7.160 -1.788 1.00 0.00 C ATOM 493 C GLU B 13 0.617 -5.794 -2.300 1.00 0.00 C ATOM 494 O GLU B 13 0.958 -5.381 -3.390 1.00 0.00 O ATOM 495 CB GLU B 13 -0.092 -8.146 -1.839 1.00 0.00 C ATOM 496 CG GLU B 13 0.438 -9.574 -1.694 1.00 0.00 C ATOM 497 CD GLU B 13 -0.210 -10.470 -2.750 1.00 0.00 C ATOM 498 OE1 GLU B 13 0.349 -10.576 -3.831 1.00 0.00 O ATOM 499 OE2 GLU B 13 -1.251 -11.034 -2.463 1.00 0.00 O ATOM 0 H GLU B 13 1.065 -7.607 0.300 1.00 0.00 H new ATOM 0 HA GLU B 13 1.886 -7.530 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.801 -7.928 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.630 -8.041 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.522 -9.584 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.220 -9.954 -0.696 1.00 0.00 H new ATOM 506 N ALA B 14 -0.149 -5.084 -1.515 1.00 0.00 N ATOM 507 CA ALA B 14 -0.623 -3.742 -1.955 1.00 0.00 C ATOM 508 C ALA B 14 0.574 -2.796 -2.055 1.00 0.00 C ATOM 509 O ALA B 14 0.702 -2.037 -2.994 1.00 0.00 O ATOM 510 CB ALA B 14 -1.623 -3.195 -0.935 1.00 0.00 C ATOM 0 H ALA B 14 -0.466 -5.376 -0.590 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.108 -3.824 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.970 -2.213 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -2.473 -3.873 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -1.140 -3.108 0.038 1.00 0.00 H new ATOM 516 N LEU B 15 1.455 -2.839 -1.092 1.00 0.00 N ATOM 517 CA LEU B 15 2.644 -1.945 -1.131 1.00 0.00 C ATOM 518 C LEU B 15 3.504 -2.290 -2.348 1.00 0.00 C ATOM 519 O LEU B 15 4.286 -1.487 -2.817 1.00 0.00 O ATOM 520 CB LEU B 15 3.468 -2.136 0.144 1.00 0.00 C ATOM 521 CG LEU B 15 2.835 -1.344 1.286 1.00 0.00 C ATOM 522 CD1 LEU B 15 3.417 -1.816 2.619 1.00 0.00 C ATOM 523 CD2 LEU B 15 3.134 0.146 1.097 1.00 0.00 C ATOM 0 H LEU B 15 1.401 -3.455 -0.281 1.00 0.00 H new ATOM 0 HA LEU B 15 2.315 -0.908 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU B 15 3.515 -3.194 0.404 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.493 -1.802 -0.020 1.00 0.00 H new ATOM 0 HG LEU B 15 1.757 -1.503 1.285 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.965 -1.251 3.434 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.206 -2.877 2.753 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.495 -1.657 2.622 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.683 0.714 1.911 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.213 0.304 1.098 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.719 0.483 0.147 1.00 0.00 H new ATOM 535 N GLU B 16 3.364 -3.482 -2.865 1.00 0.00 N ATOM 536 CA GLU B 16 4.172 -3.876 -4.053 1.00 0.00 C ATOM 537 C GLU B 16 3.686 -3.095 -5.275 1.00 0.00 C ATOM 538 O GLU B 16 4.461 -2.714 -6.129 1.00 0.00 O ATOM 539 CB GLU B 16 4.011 -5.377 -4.305 1.00 0.00 C ATOM 540 CG GLU B 16 4.817 -5.775 -5.543 1.00 0.00 C ATOM 541 CD GLU B 16 4.852 -7.300 -5.662 1.00 0.00 C ATOM 542 OE1 GLU B 16 5.333 -7.936 -4.738 1.00 0.00 O ATOM 543 OE2 GLU B 16 4.397 -7.807 -6.674 1.00 0.00 O ATOM 0 H GLU B 16 2.726 -4.197 -2.516 1.00 0.00 H new ATOM 0 HA GLU B 16 5.223 -3.652 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU B 16 4.354 -5.941 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.959 -5.622 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU B 16 4.369 -5.340 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU B 16 5.831 -5.382 -5.471 1.00 0.00 H new ATOM 550 N LEU B 17 2.407 -2.849 -5.360 1.00 0.00 N ATOM 551 CA LEU B 17 1.870 -2.087 -6.522 1.00 0.00 C ATOM 552 C LEU B 17 2.040 -0.589 -6.262 1.00 0.00 C ATOM 553 O LEU B 17 2.204 0.198 -7.176 1.00 0.00 O ATOM 554 CB LEU B 17 0.384 -2.407 -6.699 1.00 0.00 C ATOM 555 CG LEU B 17 0.089 -2.675 -8.175 1.00 0.00 C ATOM 556 CD1 LEU B 17 0.324 -1.399 -8.984 1.00 0.00 C ATOM 557 CD2 LEU B 17 1.016 -3.781 -8.686 1.00 0.00 C ATOM 0 H LEU B 17 1.711 -3.143 -4.675 1.00 0.00 H new ATOM 0 HA LEU B 17 2.411 -2.367 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.115 -3.277 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.223 -1.575 -6.342 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.949 -2.988 -8.287 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.113 -1.591 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.335 -0.611 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.362 -1.084 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.807 -3.974 -9.738 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.054 -3.467 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.848 -4.691 -8.110 1.00 0.00 H new ATOM 569 N VAL B 18 2.007 -0.189 -5.022 1.00 0.00 N ATOM 570 CA VAL B 18 2.171 1.253 -4.693 1.00 0.00 C ATOM 571 C VAL B 18 3.639 1.651 -4.883 1.00 0.00 C ATOM 572 O VAL B 18 3.952 2.792 -5.160 1.00 0.00 O ATOM 573 CB VAL B 18 1.701 1.487 -3.239 1.00 0.00 C ATOM 574 CG1 VAL B 18 2.836 2.017 -2.352 1.00 0.00 C ATOM 575 CG2 VAL B 18 0.563 2.506 -3.240 1.00 0.00 C ATOM 0 H VAL B 18 1.873 -0.803 -4.218 1.00 0.00 H new ATOM 0 HA VAL B 18 1.567 1.873 -5.355 1.00 0.00 H new ATOM 0 HB VAL B 18 1.369 0.530 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.465 2.168 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.652 1.295 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.198 2.965 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.226 2.676 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.916 3.445 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.266 2.125 -3.836 1.00 0.00 H new ATOM 585 N CYS B 19 4.538 0.719 -4.735 1.00 0.00 N ATOM 586 CA CYS B 19 5.980 1.046 -4.908 1.00 0.00 C ATOM 587 C CYS B 19 6.520 0.341 -6.153 1.00 0.00 C ATOM 588 O CYS B 19 6.731 0.952 -7.182 1.00 0.00 O ATOM 589 CB CYS B 19 6.760 0.577 -3.677 1.00 0.00 C ATOM 590 SG CYS B 19 7.754 1.946 -3.036 1.00 0.00 S ATOM 0 H CYS B 19 4.337 -0.254 -4.502 1.00 0.00 H new ATOM 0 HA CYS B 19 6.096 2.124 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS B 19 6.071 0.223 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.404 -0.263 -3.939 1.00 0.00 H new ATOM 595 N GLY B 20 6.745 -0.941 -6.069 1.00 0.00 N ATOM 596 CA GLY B 20 7.274 -1.685 -7.247 1.00 0.00 C ATOM 597 C GLY B 20 8.706 -2.140 -6.962 1.00 0.00 C ATOM 598 O GLY B 20 8.946 -2.955 -6.092 1.00 0.00 O ATOM 0 H GLY B 20 6.585 -1.506 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.642 -2.548 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY B 20 7.253 -1.049 -8.132 1.00 0.00 H new ATOM 602 N GLU B 21 9.659 -1.621 -7.686 1.00 0.00 N ATOM 603 CA GLU B 21 11.074 -2.023 -7.452 1.00 0.00 C ATOM 604 C GLU B 21 11.704 -1.086 -6.420 1.00 0.00 C ATOM 605 O GLU B 21 12.659 -1.433 -5.752 1.00 0.00 O ATOM 606 CB GLU B 21 11.852 -1.934 -8.767 1.00 0.00 C ATOM 607 CG GLU B 21 11.950 -0.473 -9.205 1.00 0.00 C ATOM 608 CD GLU B 21 12.404 -0.405 -10.664 1.00 0.00 C ATOM 609 OE1 GLU B 21 11.923 -1.201 -11.452 1.00 0.00 O ATOM 610 OE2 GLU B 21 13.225 0.446 -10.970 1.00 0.00 O ATOM 0 H GLU B 21 9.519 -0.936 -8.429 1.00 0.00 H new ATOM 0 HA GLU B 21 11.106 -3.047 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU B 21 12.850 -2.354 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU B 21 11.354 -2.523 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.983 0.017 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU B 21 12.655 0.062 -8.569 1.00 0.00 H new ATOM 617 N ARG B 22 11.175 0.099 -6.282 1.00 0.00 N ATOM 618 CA ARG B 22 11.740 1.058 -5.291 1.00 0.00 C ATOM 619 C ARG B 22 11.647 0.459 -3.887 1.00 0.00 C ATOM 620 O ARG B 22 12.391 0.817 -2.997 1.00 0.00 O ATOM 621 CB ARG B 22 10.949 2.366 -5.340 1.00 0.00 C ATOM 622 CG ARG B 22 10.862 2.861 -6.785 1.00 0.00 C ATOM 623 CD ARG B 22 11.114 4.368 -6.825 1.00 0.00 C ATOM 624 NE ARG B 22 10.031 5.036 -7.611 1.00 0.00 N ATOM 625 CZ ARG B 22 9.675 4.594 -8.792 1.00 0.00 C ATOM 626 NH1 ARG B 22 10.377 3.676 -9.402 1.00 0.00 N ATOM 627 NH2 ARG B 22 8.640 5.117 -9.389 1.00 0.00 N ATOM 0 H ARG B 22 10.376 0.445 -6.813 1.00 0.00 H new ATOM 0 HA ARG B 22 12.785 1.254 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.948 2.212 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG B 22 11.432 3.118 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG B 22 11.595 2.343 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.879 2.635 -7.199 1.00 0.00 H new ATOM 0 HD2 ARG B 22 11.143 4.769 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG B 22 12.085 4.573 -7.277 1.00 0.00 H new ATOM 0 HE ARG B 22 9.560 5.852 -7.220 1.00 0.00 H new ATOM 0 HH11 ARG B 22 11.213 3.295 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.089 3.341 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG B 22 8.114 5.865 -8.936 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.357 4.778 -10.308 1.00 0.00 H new ATOM 641 N GLY B 23 10.734 -0.450 -3.680 1.00 0.00 N ATOM 642 CA GLY B 23 10.590 -1.068 -2.331 1.00 0.00 C ATOM 643 C GLY B 23 10.011 -0.040 -1.360 1.00 0.00 C ATOM 644 O GLY B 23 10.093 1.152 -1.580 1.00 0.00 O ATOM 0 H GLY B 23 10.082 -0.791 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY B 23 9.938 -1.940 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY B 23 11.559 -1.417 -1.973 1.00 0.00 H new ATOM 648 N PHE B 24 9.420 -0.489 -0.286 1.00 0.00 N ATOM 649 CA PHE B 24 8.834 0.467 0.695 1.00 0.00 C ATOM 650 C PHE B 24 9.274 0.080 2.109 1.00 0.00 C ATOM 651 O PHE B 24 9.925 -0.925 2.315 1.00 0.00 O ATOM 652 CB PHE B 24 7.308 0.416 0.604 1.00 0.00 C ATOM 653 CG PHE B 24 6.868 -0.998 0.320 1.00 0.00 C ATOM 654 CD1 PHE B 24 6.845 -1.467 -0.997 1.00 0.00 C ATOM 655 CD2 PHE B 24 6.484 -1.840 1.370 1.00 0.00 C ATOM 656 CE1 PHE B 24 6.440 -2.778 -1.268 1.00 0.00 C ATOM 657 CE2 PHE B 24 6.078 -3.152 1.102 1.00 0.00 C ATOM 658 CZ PHE B 24 6.055 -3.622 -0.217 1.00 0.00 C ATOM 0 H PHE B 24 9.318 -1.475 -0.046 1.00 0.00 H new ATOM 0 HA PHE B 24 9.179 1.476 0.471 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.866 0.765 1.537 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.958 1.082 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.140 -0.816 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.501 -1.477 2.387 1.00 0.00 H new ATOM 0 HE1 PHE B 24 6.424 -3.140 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.782 -3.802 1.912 1.00 0.00 H new ATOM 0 HZ PHE B 24 5.741 -4.634 -0.424 1.00 0.00 H new ATOM 668 N PHE B 25 8.925 0.871 3.088 1.00 0.00 N ATOM 669 CA PHE B 25 9.325 0.547 4.486 1.00 0.00 C ATOM 670 C PHE B 25 8.852 -0.866 4.833 1.00 0.00 C ATOM 671 O PHE B 25 9.643 -1.771 5.002 1.00 0.00 O ATOM 672 CB PHE B 25 8.684 1.551 5.447 1.00 0.00 C ATOM 673 CG PHE B 25 9.631 2.701 5.680 1.00 0.00 C ATOM 674 CD1 PHE B 25 10.121 3.438 4.595 1.00 0.00 C ATOM 675 CD2 PHE B 25 10.019 3.032 6.983 1.00 0.00 C ATOM 676 CE1 PHE B 25 11.000 4.507 4.815 1.00 0.00 C ATOM 677 CE2 PHE B 25 10.898 4.100 7.203 1.00 0.00 C ATOM 678 CZ PHE B 25 11.387 4.838 6.120 1.00 0.00 C ATOM 0 H PHE B 25 8.381 1.727 2.979 1.00 0.00 H new ATOM 0 HA PHE B 25 10.410 0.602 4.577 1.00 0.00 H new ATOM 0 HB2 PHE B 25 7.745 1.918 5.033 1.00 0.00 H new ATOM 0 HB3 PHE B 25 8.447 1.064 6.393 1.00 0.00 H new ATOM 0 HD1 PHE B 25 9.822 3.183 3.589 1.00 0.00 H new ATOM 0 HD2 PHE B 25 9.640 2.464 7.820 1.00 0.00 H new ATOM 0 HE1 PHE B 25 11.379 5.076 3.979 1.00 0.00 H new ATOM 0 HE2 PHE B 25 11.198 4.354 8.209 1.00 0.00 H new ATOM 0 HZ PHE B 25 12.063 5.663 6.290 1.00 0.00 H new ATOM 688 N TYR B 26 7.565 -1.061 4.941 1.00 0.00 N ATOM 689 CA TYR B 26 7.045 -2.417 5.276 1.00 0.00 C ATOM 690 C TYR B 26 7.786 -3.464 4.443 1.00 0.00 C ATOM 691 O TYR B 26 8.146 -3.227 3.307 1.00 0.00 O ATOM 692 CB TYR B 26 5.548 -2.479 4.965 1.00 0.00 C ATOM 693 CG TYR B 26 4.948 -3.706 5.611 1.00 0.00 C ATOM 694 CD1 TYR B 26 5.277 -4.035 6.931 1.00 0.00 C ATOM 695 CD2 TYR B 26 4.062 -4.516 4.891 1.00 0.00 C ATOM 696 CE1 TYR B 26 4.722 -5.171 7.530 1.00 0.00 C ATOM 697 CE2 TYR B 26 3.505 -5.653 5.489 1.00 0.00 C ATOM 698 CZ TYR B 26 3.835 -5.981 6.809 1.00 0.00 C ATOM 699 OH TYR B 26 3.289 -7.101 7.399 1.00 0.00 O ATOM 0 H TYR B 26 6.853 -0.342 4.812 1.00 0.00 H new ATOM 0 HA TYR B 26 7.203 -2.618 6.336 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.052 -1.581 5.334 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.391 -2.509 3.887 1.00 0.00 H new ATOM 0 HD1 TYR B 26 5.960 -3.411 7.488 1.00 0.00 H new ATOM 0 HD2 TYR B 26 3.808 -4.263 3.872 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.977 -5.424 8.549 1.00 0.00 H new ATOM 0 HE2 TYR B 26 2.821 -6.276 4.932 1.00 0.00 H new ATOM 0 HH TYR B 26 2.694 -7.549 6.762 1.00 0.00 H new ATOM 709 N GLU B 27 8.021 -4.621 5.000 1.00 0.00 N ATOM 710 CA GLU B 27 8.742 -5.680 4.241 1.00 0.00 C ATOM 711 C GLU B 27 8.368 -7.055 4.805 1.00 0.00 C ATOM 712 O GLU B 27 8.204 -7.208 6.000 1.00 0.00 O ATOM 713 CB GLU B 27 10.251 -5.469 4.381 1.00 0.00 C ATOM 714 CG GLU B 27 10.871 -5.271 2.997 1.00 0.00 C ATOM 715 CD GLU B 27 11.649 -3.954 2.971 1.00 0.00 C ATOM 716 OE1 GLU B 27 12.786 -3.950 3.411 1.00 0.00 O ATOM 717 OE2 GLU B 27 11.093 -2.969 2.511 1.00 0.00 O ATOM 0 H GLU B 27 7.745 -4.878 5.948 1.00 0.00 H new ATOM 0 HA GLU B 27 8.462 -5.628 3.189 1.00 0.00 H new ATOM 0 HB2 GLU B 27 10.450 -4.600 5.008 1.00 0.00 H new ATOM 0 HB3 GLU B 27 10.705 -6.329 4.874 1.00 0.00 H new ATOM 0 HG2 GLU B 27 11.535 -6.103 2.762 1.00 0.00 H new ATOM 0 HG3 GLU B 27 10.091 -5.260 2.235 1.00 0.00 H new ATOM 724 N PRO B 28 8.247 -8.016 3.925 1.00 0.00 N ATOM 725 CA PRO B 28 7.892 -9.408 4.285 1.00 0.00 C ATOM 726 C PRO B 28 8.961 -9.999 5.211 1.00 0.00 C ATOM 727 O PRO B 28 9.861 -9.313 5.652 1.00 0.00 O ATOM 728 CB PRO B 28 7.844 -10.187 2.965 1.00 0.00 C ATOM 729 CG PRO B 28 8.192 -9.203 1.831 1.00 0.00 C ATOM 730 CD PRO B 28 8.446 -7.831 2.469 1.00 0.00 C ATOM 0 HA PRO B 28 6.939 -9.457 4.811 1.00 0.00 H new ATOM 0 HB2 PRO B 28 8.552 -11.016 2.983 1.00 0.00 H new ATOM 0 HB3 PRO B 28 6.854 -10.616 2.809 1.00 0.00 H new ATOM 0 HG2 PRO B 28 9.074 -9.542 1.287 1.00 0.00 H new ATOM 0 HG3 PRO B 28 7.376 -9.145 1.110 1.00 0.00 H new ATOM 0 HD2 PRO B 28 9.456 -7.482 2.254 1.00 0.00 H new ATOM 0 HD3 PRO B 28 7.759 -7.083 2.073 1.00 0.00 H new ATOM 738 N LYS B 29 8.867 -11.266 5.506 1.00 0.00 N ATOM 739 CA LYS B 29 9.876 -11.899 6.403 1.00 0.00 C ATOM 740 C LYS B 29 10.028 -13.376 6.037 1.00 0.00 C ATOM 741 O LYS B 29 9.159 -13.887 5.349 1.00 0.00 O ATOM 742 CB LYS B 29 9.412 -11.778 7.856 1.00 0.00 C ATOM 743 CG LYS B 29 7.941 -12.185 7.956 1.00 0.00 C ATOM 744 CD LYS B 29 7.608 -12.544 9.405 1.00 0.00 C ATOM 745 CE LYS B 29 7.098 -13.986 9.468 1.00 0.00 C ATOM 746 NZ LYS B 29 7.619 -14.642 10.701 1.00 0.00 N ATOM 0 H LYS B 29 8.136 -11.891 5.165 1.00 0.00 H new ATOM 0 HA LYS B 29 10.835 -11.395 6.285 1.00 0.00 H new ATOM 0 HB2 LYS B 29 10.021 -12.414 8.498 1.00 0.00 H new ATOM 0 HB3 LYS B 29 9.542 -10.754 8.207 1.00 0.00 H new ATOM 0 HG2 LYS B 29 7.303 -11.369 7.617 1.00 0.00 H new ATOM 0 HG3 LYS B 29 7.743 -13.036 7.305 1.00 0.00 H new ATOM 0 HD2 LYS B 29 8.493 -12.432 10.031 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.853 -11.862 9.796 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.008 -13.998 9.469 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.422 -14.537 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.273 -15.622 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.659 -14.642 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.289 -14.120 11.538 1.00 0.00 H new TER 760 LYS B 29