USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 375 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 Set 1.1: A 15 GLN : amide:sc= -0.157 X(o=0.28,f=0.47) USER MOD Set 1.2: A 19 TYR OH : rot 15:sc= 0.437 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0904 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.19) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.306 USER MOD Single : A 12 SER OG : rot -171:sc= -0.251 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.261 K(o=0.26,f=-2.2!) USER MOD Single : B 1 PHE N :NH3+ -101:sc= 0.1 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : B 4 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.28) USER MOD Single : B 5 HIS : no HE2:sc= -0.69 K(o=-0.69,f=-3.2) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.37) USER MOD Single : B 16 TYR OH : rot 180:sc=-0.00067 USER MOD Single : B 26 TYR OH : rot -152:sc= 0.748 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.161) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.160 -6.907 6.206 1.00 0.00 N ATOM 2 CA GLY A 1 -11.682 -6.918 6.410 1.00 0.00 C ATOM 3 C GLY A 1 -11.081 -5.513 6.251 1.00 0.00 C ATOM 4 O GLY A 1 -11.776 -4.565 5.939 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.633 -7.213 7.080 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.470 -5.944 5.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.408 -7.556 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.454 -7.302 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.220 -7.596 5.693 1.00 0.00 H new ATOM 10 N ILE A 2 -9.793 -5.444 6.479 1.00 0.00 N ATOM 11 CA ILE A 2 -9.032 -4.154 6.372 1.00 0.00 C ATOM 12 C ILE A 2 -8.152 -4.186 5.114 1.00 0.00 C ATOM 13 O ILE A 2 -7.763 -3.163 4.585 1.00 0.00 O ATOM 14 CB ILE A 2 -8.158 -3.974 7.655 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.015 -5.047 7.679 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.062 -4.080 8.911 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.276 -5.113 9.034 1.00 0.00 C ATOM 0 H ILE A 2 -9.221 -6.246 6.742 1.00 0.00 H new ATOM 0 HA ILE A 2 -9.720 -3.313 6.292 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.690 -2.990 7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.439 -6.026 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.297 -4.822 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.455 -3.955 9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.824 -3.302 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.543 -5.058 8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.497 -5.874 8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.825 -4.145 9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.984 -5.367 9.823 1.00 0.00 H new ATOM 29 N VAL A 3 -7.877 -5.393 4.694 1.00 0.00 N ATOM 30 CA VAL A 3 -7.037 -5.666 3.489 1.00 0.00 C ATOM 31 C VAL A 3 -8.011 -6.060 2.379 1.00 0.00 C ATOM 32 O VAL A 3 -7.783 -5.803 1.213 1.00 0.00 O ATOM 33 CB VAL A 3 -6.060 -6.808 3.852 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.687 -8.219 3.758 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.793 -6.717 2.991 1.00 0.00 C ATOM 0 H VAL A 3 -8.215 -6.236 5.158 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.443 -4.814 3.159 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.801 -6.668 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.941 -8.967 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.533 -8.288 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.029 -8.398 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.114 -7.527 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.062 -6.800 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.302 -5.760 3.166 1.00 0.00 H new ATOM 45 N GLU A 4 -9.078 -6.679 2.817 1.00 0.00 N ATOM 46 CA GLU A 4 -10.154 -7.139 1.876 1.00 0.00 C ATOM 47 C GLU A 4 -11.205 -6.017 1.809 1.00 0.00 C ATOM 48 O GLU A 4 -12.393 -6.242 1.688 1.00 0.00 O ATOM 49 CB GLU A 4 -10.803 -8.433 2.411 1.00 0.00 C ATOM 50 CG GLU A 4 -9.775 -9.578 2.428 1.00 0.00 C ATOM 51 CD GLU A 4 -10.456 -10.877 2.898 1.00 0.00 C ATOM 52 OE1 GLU A 4 -10.859 -10.896 4.050 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.536 -11.780 2.079 1.00 0.00 O ATOM 0 H GLU A 4 -9.255 -6.890 3.799 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.743 -7.348 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.188 -8.266 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.653 -8.707 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.353 -9.716 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.948 -9.328 3.093 1.00 0.00 H new ATOM 60 N GLN A 5 -10.672 -4.827 1.896 1.00 0.00 N ATOM 61 CA GLN A 5 -11.445 -3.557 1.854 1.00 0.00 C ATOM 62 C GLN A 5 -11.065 -2.952 0.502 1.00 0.00 C ATOM 63 O GLN A 5 -11.888 -2.514 -0.265 1.00 0.00 O ATOM 64 CB GLN A 5 -10.985 -2.647 2.997 1.00 0.00 C ATOM 65 CG GLN A 5 -11.864 -1.371 3.092 1.00 0.00 C ATOM 66 CD GLN A 5 -13.291 -1.726 3.544 1.00 0.00 C ATOM 67 OE1 GLN A 5 -13.486 -2.353 4.567 1.00 0.00 O ATOM 68 NE2 GLN A 5 -14.318 -1.352 2.828 1.00 0.00 N ATOM 0 H GLN A 5 -9.668 -4.682 2.001 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.521 -3.694 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.030 -3.193 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.944 -2.363 2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.419 -0.668 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.897 -0.873 2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.174 -0.825 1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.263 -1.587 3.131 1.00 0.00 H new ATOM 77 N CYS A 6 -9.781 -2.968 0.283 1.00 0.00 N ATOM 78 CA CYS A 6 -9.157 -2.431 -0.965 1.00 0.00 C ATOM 79 C CYS A 6 -9.573 -3.140 -2.267 1.00 0.00 C ATOM 80 O CYS A 6 -9.805 -2.482 -3.264 1.00 0.00 O ATOM 81 CB CYS A 6 -7.645 -2.518 -0.781 1.00 0.00 C ATOM 82 SG CYS A 6 -7.037 -1.990 0.839 1.00 0.00 S ATOM 0 H CYS A 6 -9.107 -3.348 0.947 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.511 -1.408 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.333 -3.548 -0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.166 -1.909 -1.548 1.00 0.00 H new ATOM 87 N CYS A 7 -9.666 -4.448 -2.230 1.00 0.00 N ATOM 88 CA CYS A 7 -10.058 -5.217 -3.461 1.00 0.00 C ATOM 89 C CYS A 7 -11.555 -5.589 -3.491 1.00 0.00 C ATOM 90 O CYS A 7 -11.944 -6.539 -4.143 1.00 0.00 O ATOM 91 CB CYS A 7 -9.177 -6.490 -3.509 1.00 0.00 C ATOM 92 SG CYS A 7 -9.313 -7.598 -4.938 1.00 0.00 S ATOM 0 H CYS A 7 -9.488 -5.018 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 7 -9.898 -4.588 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.137 -6.173 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -9.396 -7.076 -2.616 1.00 0.00 H new ATOM 97 N THR A 8 -12.353 -4.827 -2.785 1.00 0.00 N ATOM 98 CA THR A 8 -13.833 -5.076 -2.738 1.00 0.00 C ATOM 99 C THR A 8 -14.486 -3.684 -2.843 1.00 0.00 C ATOM 100 O THR A 8 -15.391 -3.440 -3.617 1.00 0.00 O ATOM 101 CB THR A 8 -14.178 -5.814 -1.387 1.00 0.00 C ATOM 102 OG1 THR A 8 -15.486 -6.327 -1.615 1.00 0.00 O ATOM 103 CG2 THR A 8 -14.357 -4.897 -0.151 1.00 0.00 C ATOM 0 H THR A 8 -12.040 -4.031 -2.230 1.00 0.00 H new ATOM 0 HA THR A 8 -14.198 -5.715 -3.542 1.00 0.00 H new ATOM 0 HB THR A 8 -13.367 -6.509 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.791 -6.811 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.591 -5.505 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.435 -4.344 0.029 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.171 -4.195 -0.333 1.00 0.00 H new ATOM 111 N SER A 9 -13.949 -2.832 -2.013 1.00 0.00 N ATOM 112 CA SER A 9 -14.324 -1.399 -1.842 1.00 0.00 C ATOM 113 C SER A 9 -12.997 -0.633 -2.070 1.00 0.00 C ATOM 114 O SER A 9 -12.092 -1.167 -2.684 1.00 0.00 O ATOM 115 CB SER A 9 -14.873 -1.243 -0.405 1.00 0.00 C ATOM 116 OG SER A 9 -15.253 0.118 -0.252 1.00 0.00 O ATOM 0 H SER A 9 -13.191 -3.106 -1.388 1.00 0.00 H new ATOM 0 HA SER A 9 -15.091 -1.027 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.726 -1.902 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.116 -1.517 0.329 1.00 0.00 H new ATOM 0 HG SER A 9 -15.610 0.259 0.650 1.00 0.00 H new ATOM 122 N ILE A 10 -12.901 0.577 -1.582 1.00 0.00 N ATOM 123 CA ILE A 10 -11.650 1.384 -1.761 1.00 0.00 C ATOM 124 C ILE A 10 -10.982 1.604 -0.388 1.00 0.00 C ATOM 125 O ILE A 10 -11.632 1.568 0.639 1.00 0.00 O ATOM 126 CB ILE A 10 -12.034 2.746 -2.411 1.00 0.00 C ATOM 127 CG1 ILE A 10 -12.857 2.546 -3.725 1.00 0.00 C ATOM 128 CG2 ILE A 10 -10.774 3.594 -2.717 1.00 0.00 C ATOM 129 CD1 ILE A 10 -12.051 1.814 -4.817 1.00 0.00 C ATOM 0 H ILE A 10 -13.642 1.047 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.944 0.862 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.655 3.276 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.760 1.978 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.176 3.518 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.073 4.539 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.234 3.790 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.128 3.050 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.667 1.700 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.161 2.393 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.755 0.830 -4.453 1.00 0.00 H new ATOM 141 N CYS A 11 -9.692 1.824 -0.442 1.00 0.00 N ATOM 142 CA CYS A 11 -8.859 2.065 0.781 1.00 0.00 C ATOM 143 C CYS A 11 -8.072 3.374 0.645 1.00 0.00 C ATOM 144 O CYS A 11 -8.193 4.097 -0.325 1.00 0.00 O ATOM 145 CB CYS A 11 -7.850 0.912 0.984 1.00 0.00 C ATOM 146 SG CYS A 11 -8.456 -0.711 1.497 1.00 0.00 S ATOM 0 H CYS A 11 -9.163 1.847 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.534 2.124 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.311 0.779 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.122 1.240 1.726 1.00 0.00 H new ATOM 151 N SER A 12 -7.281 3.611 1.658 1.00 0.00 N ATOM 152 CA SER A 12 -6.416 4.821 1.740 1.00 0.00 C ATOM 153 C SER A 12 -4.971 4.303 1.764 1.00 0.00 C ATOM 154 O SER A 12 -4.726 3.127 1.574 1.00 0.00 O ATOM 155 CB SER A 12 -6.742 5.582 3.039 1.00 0.00 C ATOM 156 OG SER A 12 -6.382 4.691 4.090 1.00 0.00 O ATOM 0 H SER A 12 -7.198 2.989 2.462 1.00 0.00 H new ATOM 0 HA SER A 12 -6.571 5.503 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.180 6.514 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.799 5.843 3.088 1.00 0.00 H new ATOM 0 HG SER A 12 -6.693 5.052 4.946 1.00 0.00 H new ATOM 162 N LEU A 13 -4.061 5.207 2.001 1.00 0.00 N ATOM 163 CA LEU A 13 -2.618 4.833 2.058 1.00 0.00 C ATOM 164 C LEU A 13 -2.229 4.858 3.549 1.00 0.00 C ATOM 165 O LEU A 13 -1.063 4.915 3.888 1.00 0.00 O ATOM 166 CB LEU A 13 -1.776 5.872 1.259 1.00 0.00 C ATOM 167 CG LEU A 13 -2.003 5.852 -0.293 1.00 0.00 C ATOM 168 CD1 LEU A 13 -1.673 4.465 -0.889 1.00 0.00 C ATOM 169 CD2 LEU A 13 -3.441 6.262 -0.690 1.00 0.00 C ATOM 0 H LEU A 13 -4.256 6.196 2.159 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.435 3.852 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.007 6.870 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.720 5.693 1.459 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.320 6.593 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.840 4.483 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.630 4.221 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.316 3.711 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.542 6.231 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.154 5.571 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.642 7.273 -0.336 1.00 0.00 H new ATOM 181 N TYR A 14 -3.233 4.812 4.397 1.00 0.00 N ATOM 182 CA TYR A 14 -3.023 4.829 5.872 1.00 0.00 C ATOM 183 C TYR A 14 -3.359 3.484 6.534 1.00 0.00 C ATOM 184 O TYR A 14 -2.604 3.020 7.365 1.00 0.00 O ATOM 185 CB TYR A 14 -3.899 5.954 6.466 1.00 0.00 C ATOM 186 CG TYR A 14 -3.857 5.911 8.007 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.664 6.060 8.693 1.00 0.00 C ATOM 188 CD2 TYR A 14 -5.021 5.715 8.724 1.00 0.00 C ATOM 189 CE1 TYR A 14 -2.642 6.013 10.071 1.00 0.00 C ATOM 190 CE2 TYR A 14 -4.997 5.668 10.101 1.00 0.00 C ATOM 191 CZ TYR A 14 -3.809 5.817 10.782 1.00 0.00 C ATOM 192 OH TYR A 14 -3.793 5.769 12.161 1.00 0.00 O ATOM 0 H TYR A 14 -4.212 4.762 4.114 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.967 5.010 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.546 6.923 6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.927 5.844 6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.746 6.214 8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.958 5.598 8.201 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.706 6.130 10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.915 5.514 10.649 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.703 5.625 12.494 1.00 0.00 H new ATOM 202 N GLN A 15 -4.480 2.901 6.176 1.00 0.00 N ATOM 203 CA GLN A 15 -4.858 1.581 6.793 1.00 0.00 C ATOM 204 C GLN A 15 -3.710 0.591 6.545 1.00 0.00 C ATOM 205 O GLN A 15 -2.987 0.301 7.476 1.00 0.00 O ATOM 206 CB GLN A 15 -6.189 1.092 6.150 1.00 0.00 C ATOM 207 CG GLN A 15 -7.275 2.192 6.270 1.00 0.00 C ATOM 208 CD GLN A 15 -7.508 2.668 7.721 1.00 0.00 C ATOM 209 OE1 GLN A 15 -7.894 3.799 7.943 1.00 0.00 O ATOM 210 NE2 GLN A 15 -7.306 1.876 8.741 1.00 0.00 N ATOM 0 H GLN A 15 -5.142 3.272 5.495 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.015 1.670 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.026 0.844 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.527 0.181 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.986 3.046 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.213 1.812 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.982 0.921 8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.472 2.213 9.689 1.00 0.00 H new ATOM 219 N LEU A 16 -3.548 0.086 5.345 1.00 0.00 N ATOM 220 CA LEU A 16 -2.417 -0.870 5.100 1.00 0.00 C ATOM 221 C LEU A 16 -1.010 -0.423 5.587 1.00 0.00 C ATOM 222 O LEU A 16 -0.125 -1.248 5.719 1.00 0.00 O ATOM 223 CB LEU A 16 -2.284 -1.214 3.595 1.00 0.00 C ATOM 224 CG LEU A 16 -2.799 -2.677 3.288 1.00 0.00 C ATOM 225 CD1 LEU A 16 -2.249 -3.831 4.098 1.00 0.00 C ATOM 226 CD2 LEU A 16 -4.319 -2.680 3.313 1.00 0.00 C ATOM 0 H LEU A 16 -4.137 0.288 4.537 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.707 -1.729 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.853 -0.495 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.241 -1.123 3.290 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.388 -2.890 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.705 -4.762 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.169 -3.887 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.476 -3.676 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.684 -3.685 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.667 -2.366 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.697 -1.991 2.558 1.00 0.00 H new ATOM 238 N GLU A 17 -0.835 0.855 5.836 1.00 0.00 N ATOM 239 CA GLU A 17 0.493 1.379 6.316 1.00 0.00 C ATOM 240 C GLU A 17 0.766 0.925 7.766 1.00 0.00 C ATOM 241 O GLU A 17 1.864 1.019 8.275 1.00 0.00 O ATOM 242 CB GLU A 17 0.459 2.929 6.195 1.00 0.00 C ATOM 243 CG GLU A 17 1.656 3.650 6.893 1.00 0.00 C ATOM 244 CD GLU A 17 3.020 2.978 6.618 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.242 2.601 5.483 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.779 2.877 7.567 1.00 0.00 O ATOM 0 H GLU A 17 -1.559 1.565 5.727 1.00 0.00 H new ATOM 0 HA GLU A 17 1.306 0.982 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.451 3.200 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.473 3.296 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.694 4.685 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.480 3.672 7.969 1.00 0.00 H new ATOM 253 N ASN A 18 -0.272 0.437 8.380 1.00 0.00 N ATOM 254 CA ASN A 18 -0.242 -0.069 9.780 1.00 0.00 C ATOM 255 C ASN A 18 -0.452 -1.596 9.720 1.00 0.00 C ATOM 256 O ASN A 18 -0.542 -2.257 10.736 1.00 0.00 O ATOM 257 CB ASN A 18 -1.373 0.648 10.523 1.00 0.00 C ATOM 258 CG ASN A 18 -0.932 2.088 10.805 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.239 2.356 11.765 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.296 3.049 10.001 1.00 0.00 N ATOM 0 H ASN A 18 -1.191 0.365 7.943 1.00 0.00 H new ATOM 0 HA ASN A 18 0.697 0.122 10.299 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.284 0.641 9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.601 0.132 11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.998 4.007 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.878 2.842 9.189 1.00 0.00 H new ATOM 267 N TYR A 19 -0.512 -2.089 8.505 1.00 0.00 N ATOM 268 CA TYR A 19 -0.715 -3.541 8.179 1.00 0.00 C ATOM 269 C TYR A 19 0.564 -4.086 7.505 1.00 0.00 C ATOM 270 O TYR A 19 0.646 -5.268 7.242 1.00 0.00 O ATOM 271 CB TYR A 19 -1.923 -3.639 7.222 1.00 0.00 C ATOM 272 CG TYR A 19 -3.218 -2.983 7.774 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.401 -2.546 9.078 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.238 -2.763 6.885 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.567 -1.903 9.449 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.381 -2.131 7.236 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.570 -1.689 8.525 1.00 0.00 C ATOM 278 OH TYR A 19 -6.736 -1.044 8.879 1.00 0.00 O ATOM 0 H TYR A 19 -0.422 -1.504 7.674 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.908 -4.130 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.663 -3.166 6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.122 -4.690 7.010 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.625 -2.710 9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.125 -3.107 5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.694 -1.566 10.467 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.153 -1.972 6.497 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.612 -0.592 9.740 1.00 0.00 H new ATOM 288 N CYS A 20 1.490 -3.183 7.256 1.00 0.00 N ATOM 289 CA CYS A 20 2.825 -3.439 6.609 1.00 0.00 C ATOM 290 C CYS A 20 3.222 -4.881 6.262 1.00 0.00 C ATOM 291 O CYS A 20 3.561 -5.183 5.134 1.00 0.00 O ATOM 292 CB CYS A 20 3.901 -2.825 7.523 1.00 0.00 C ATOM 293 SG CYS A 20 3.798 -1.045 7.834 1.00 0.00 S ATOM 0 H CYS A 20 1.358 -2.201 7.497 1.00 0.00 H new ATOM 0 HA CYS A 20 2.738 -2.981 5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.863 -3.339 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.877 -3.037 7.086 1.00 0.00 H new ATOM 298 N ASN A 21 3.166 -5.716 7.260 1.00 0.00 N ATOM 299 CA ASN A 21 3.518 -7.164 7.115 1.00 0.00 C ATOM 300 C ASN A 21 2.244 -8.018 7.150 1.00 0.00 C ATOM 301 O ASN A 21 1.395 -7.946 6.284 1.00 0.00 O ATOM 302 CB ASN A 21 4.453 -7.570 8.271 1.00 0.00 C ATOM 303 CG ASN A 21 3.770 -7.281 9.620 1.00 0.00 C ATOM 304 OD1 ASN A 21 3.593 -6.144 10.011 1.00 0.00 O ATOM 305 ND2 ASN A 21 3.368 -8.279 10.358 1.00 0.00 N ATOM 0 H ASN A 21 2.882 -5.450 8.203 1.00 0.00 H new ATOM 0 HA ASN A 21 4.021 -7.325 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.699 -8.629 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.391 -7.019 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.911 -8.100 11.252 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.511 -9.238 10.041 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 -7.944 12.766 -5.214 1.00 0.00 N ATOM 314 CA PHE B 1 -7.951 11.432 -4.547 1.00 0.00 C ATOM 315 C PHE B 1 -8.182 10.356 -5.624 1.00 0.00 C ATOM 316 O PHE B 1 -8.689 10.650 -6.690 1.00 0.00 O ATOM 317 CB PHE B 1 -9.082 11.430 -3.484 1.00 0.00 C ATOM 318 CG PHE B 1 -9.042 10.176 -2.590 1.00 0.00 C ATOM 319 CD1 PHE B 1 -9.617 8.983 -2.991 1.00 0.00 C ATOM 320 CD2 PHE B 1 -8.420 10.237 -1.355 1.00 0.00 C ATOM 321 CE1 PHE B 1 -9.568 7.873 -2.171 1.00 0.00 C ATOM 322 CE2 PHE B 1 -8.372 9.129 -0.536 1.00 0.00 C ATOM 323 CZ PHE B 1 -8.946 7.945 -0.944 1.00 0.00 C ATOM 0 H1 PHE B 1 -6.963 13.088 -5.337 1.00 0.00 H new ATOM 0 H2 PHE B 1 -8.403 12.691 -6.144 1.00 0.00 H new ATOM 0 H3 PHE B 1 -8.462 13.451 -4.627 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.005 11.222 -4.047 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.994 12.320 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -10.048 11.486 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -10.107 8.920 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -7.968 11.162 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -10.019 6.946 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.884 9.189 0.426 1.00 0.00 H new ATOM 0 HZ PHE B 1 -8.908 7.076 -0.304 1.00 0.00 H new ATOM 335 N VAL B 2 -7.804 9.141 -5.311 1.00 0.00 N ATOM 336 CA VAL B 2 -7.972 8.004 -6.267 1.00 0.00 C ATOM 337 C VAL B 2 -8.840 6.921 -5.631 1.00 0.00 C ATOM 338 O VAL B 2 -8.609 6.497 -4.516 1.00 0.00 O ATOM 339 CB VAL B 2 -6.568 7.428 -6.643 1.00 0.00 C ATOM 340 CG1 VAL B 2 -5.826 8.449 -7.532 1.00 0.00 C ATOM 341 CG2 VAL B 2 -5.700 7.169 -5.383 1.00 0.00 C ATOM 0 H VAL B 2 -7.380 8.886 -4.419 1.00 0.00 H new ATOM 0 HA VAL B 2 -8.463 8.357 -7.174 1.00 0.00 H new ATOM 0 HB VAL B 2 -6.723 6.484 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -4.845 8.054 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -6.403 8.629 -8.439 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -5.704 9.385 -6.987 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -4.732 6.769 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -5.554 8.105 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -6.204 6.451 -4.736 1.00 0.00 H new ATOM 351 N ASN B 3 -9.822 6.512 -6.390 1.00 0.00 N ATOM 352 CA ASN B 3 -10.778 5.459 -5.939 1.00 0.00 C ATOM 353 C ASN B 3 -10.630 4.236 -6.844 1.00 0.00 C ATOM 354 O ASN B 3 -11.498 3.913 -7.633 1.00 0.00 O ATOM 355 CB ASN B 3 -12.208 6.044 -6.006 1.00 0.00 C ATOM 356 CG ASN B 3 -12.334 7.187 -4.990 1.00 0.00 C ATOM 357 OD1 ASN B 3 -12.239 6.986 -3.795 1.00 0.00 O ATOM 358 ND2 ASN B 3 -12.548 8.400 -5.418 1.00 0.00 N ATOM 0 H ASN B 3 -10.005 6.873 -7.326 1.00 0.00 H new ATOM 0 HA ASN B 3 -10.574 5.149 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.417 6.410 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.942 5.267 -5.791 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -12.634 9.168 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.629 8.581 -6.419 1.00 0.00 H new ATOM 365 N GLN B 4 -9.500 3.594 -6.683 1.00 0.00 N ATOM 366 CA GLN B 4 -9.173 2.382 -7.472 1.00 0.00 C ATOM 367 C GLN B 4 -8.961 1.221 -6.495 1.00 0.00 C ATOM 368 O GLN B 4 -8.845 1.405 -5.298 1.00 0.00 O ATOM 369 CB GLN B 4 -7.894 2.692 -8.290 1.00 0.00 C ATOM 370 CG GLN B 4 -7.597 1.592 -9.336 1.00 0.00 C ATOM 371 CD GLN B 4 -8.772 1.482 -10.318 1.00 0.00 C ATOM 372 OE1 GLN B 4 -9.058 2.393 -11.070 1.00 0.00 O ATOM 373 NE2 GLN B 4 -9.480 0.387 -10.340 1.00 0.00 N ATOM 0 H GLN B 4 -8.777 3.872 -6.019 1.00 0.00 H new ATOM 0 HA GLN B 4 -9.971 2.103 -8.161 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -8.010 3.651 -8.795 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -7.045 2.788 -7.613 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -6.680 1.828 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -7.436 0.636 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -9.248 -0.383 -9.713 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -10.266 0.301 -10.984 1.00 0.00 H new ATOM 382 N HIS B 5 -8.918 0.055 -7.074 1.00 0.00 N ATOM 383 CA HIS B 5 -8.723 -1.208 -6.322 1.00 0.00 C ATOM 384 C HIS B 5 -7.335 -1.783 -6.597 1.00 0.00 C ATOM 385 O HIS B 5 -6.740 -1.576 -7.637 1.00 0.00 O ATOM 386 CB HIS B 5 -9.759 -2.252 -6.762 1.00 0.00 C ATOM 387 CG HIS B 5 -11.189 -1.746 -6.578 1.00 0.00 C ATOM 388 ND1 HIS B 5 -11.763 -1.563 -5.439 1.00 0.00 N ATOM 389 CD2 HIS B 5 -12.151 -1.388 -7.508 1.00 0.00 C ATOM 390 CE1 HIS B 5 -12.971 -1.133 -5.622 1.00 0.00 C ATOM 391 NE2 HIS B 5 -13.255 -1.009 -6.895 1.00 0.00 N ATOM 0 H HIS B 5 -9.015 -0.075 -8.081 1.00 0.00 H new ATOM 0 HA HIS B 5 -8.835 -0.985 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -9.596 -2.507 -7.809 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -9.620 -3.167 -6.186 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -11.331 -1.731 -4.530 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -12.016 -1.415 -8.579 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -13.660 -0.904 -4.823 1.00 0.00 H new ATOM 399 N LEU B 6 -6.893 -2.497 -5.605 1.00 0.00 N ATOM 400 CA LEU B 6 -5.567 -3.188 -5.616 1.00 0.00 C ATOM 401 C LEU B 6 -5.818 -4.577 -5.030 1.00 0.00 C ATOM 402 O LEU B 6 -6.453 -4.681 -3.999 1.00 0.00 O ATOM 403 CB LEU B 6 -4.540 -2.429 -4.740 1.00 0.00 C ATOM 404 CG LEU B 6 -4.076 -1.126 -5.461 1.00 0.00 C ATOM 405 CD1 LEU B 6 -4.534 0.119 -4.674 1.00 0.00 C ATOM 406 CD2 LEU B 6 -2.532 -1.129 -5.568 1.00 0.00 C ATOM 0 H LEU B 6 -7.420 -2.639 -4.743 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.158 -3.234 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -4.986 -2.181 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.680 -3.068 -4.539 1.00 0.00 H new ATOM 0 HG LEU B 6 -4.520 -1.093 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -4.202 1.019 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -5.622 0.123 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.103 0.096 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -2.200 -0.221 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.098 -1.169 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.209 -1.999 -6.139 1.00 0.00 H new ATOM 418 N CYS B 7 -5.323 -5.594 -5.693 1.00 0.00 N ATOM 419 CA CYS B 7 -5.510 -7.001 -5.212 1.00 0.00 C ATOM 420 C CYS B 7 -4.162 -7.749 -5.141 1.00 0.00 C ATOM 421 O CYS B 7 -3.126 -7.136 -5.290 1.00 0.00 O ATOM 422 CB CYS B 7 -6.499 -7.675 -6.178 1.00 0.00 C ATOM 423 SG CYS B 7 -8.099 -6.846 -6.371 1.00 0.00 S ATOM 0 H CYS B 7 -4.790 -5.509 -6.559 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.909 -7.019 -4.198 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.028 -7.748 -7.158 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -6.678 -8.694 -5.833 1.00 0.00 H new ATOM 428 N GLY B 8 -4.229 -9.041 -4.922 1.00 0.00 N ATOM 429 CA GLY B 8 -3.052 -9.962 -4.809 1.00 0.00 C ATOM 430 C GLY B 8 -1.657 -9.351 -4.599 1.00 0.00 C ATOM 431 O GLY B 8 -1.431 -8.522 -3.739 1.00 0.00 O ATOM 0 H GLY B 8 -5.119 -9.526 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.243 -10.643 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.016 -10.566 -5.716 1.00 0.00 H new ATOM 435 N SER B 9 -0.754 -9.819 -5.415 1.00 0.00 N ATOM 436 CA SER B 9 0.674 -9.357 -5.378 1.00 0.00 C ATOM 437 C SER B 9 0.799 -7.834 -5.292 1.00 0.00 C ATOM 438 O SER B 9 1.436 -7.308 -4.400 1.00 0.00 O ATOM 439 CB SER B 9 1.378 -9.899 -6.644 1.00 0.00 C ATOM 440 OG SER B 9 2.733 -9.486 -6.516 1.00 0.00 O ATOM 0 H SER B 9 -0.947 -10.522 -6.128 1.00 0.00 H new ATOM 0 HA SER B 9 1.149 -9.743 -4.476 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.300 -10.985 -6.705 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.926 -9.496 -7.550 1.00 0.00 H new ATOM 0 HG SER B 9 3.245 -9.799 -7.291 1.00 0.00 H new ATOM 446 N HIS B 10 0.183 -7.190 -6.248 1.00 0.00 N ATOM 447 CA HIS B 10 0.175 -5.687 -6.344 1.00 0.00 C ATOM 448 C HIS B 10 0.050 -5.120 -4.926 1.00 0.00 C ATOM 449 O HIS B 10 0.872 -4.333 -4.505 1.00 0.00 O ATOM 450 CB HIS B 10 -1.026 -5.235 -7.210 1.00 0.00 C ATOM 451 CG HIS B 10 -1.150 -6.156 -8.428 1.00 0.00 C ATOM 452 ND1 HIS B 10 -0.217 -6.376 -9.294 1.00 0.00 N ATOM 453 CD2 HIS B 10 -2.211 -6.930 -8.863 1.00 0.00 C ATOM 454 CE1 HIS B 10 -0.643 -7.207 -10.191 1.00 0.00 C ATOM 455 NE2 HIS B 10 -1.878 -7.578 -9.962 1.00 0.00 N ATOM 0 H HIS B 10 -0.334 -7.654 -6.995 1.00 0.00 H new ATOM 0 HA HIS B 10 1.093 -5.325 -6.807 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -1.944 -5.265 -6.623 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -0.888 -4.203 -7.533 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -3.172 -6.994 -8.374 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -0.052 -7.552 -11.026 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -2.451 -8.221 -10.509 1.00 0.00 H new ATOM 463 N LEU B 11 -0.989 -5.554 -4.249 1.00 0.00 N ATOM 464 CA LEU B 11 -1.252 -5.108 -2.849 1.00 0.00 C ATOM 465 C LEU B 11 -0.025 -5.355 -1.982 1.00 0.00 C ATOM 466 O LEU B 11 0.480 -4.400 -1.435 1.00 0.00 O ATOM 467 CB LEU B 11 -2.452 -5.882 -2.212 1.00 0.00 C ATOM 468 CG LEU B 11 -3.767 -5.068 -2.265 1.00 0.00 C ATOM 469 CD1 LEU B 11 -4.908 -5.927 -1.672 1.00 0.00 C ATOM 470 CD2 LEU B 11 -3.660 -3.786 -1.398 1.00 0.00 C ATOM 0 H LEU B 11 -1.676 -6.211 -4.619 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.491 -4.045 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.591 -6.828 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.217 -6.123 -1.175 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.959 -4.797 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -5.841 -5.364 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -5.016 -6.841 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -4.672 -6.181 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.597 -3.231 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.461 -4.063 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.847 -3.162 -1.770 1.00 0.00 H new ATOM 482 N VAL B 12 0.404 -6.599 -1.884 1.00 0.00 N ATOM 483 CA VAL B 12 1.613 -6.955 -1.050 1.00 0.00 C ATOM 484 C VAL B 12 2.666 -5.865 -1.126 1.00 0.00 C ATOM 485 O VAL B 12 3.159 -5.392 -0.125 1.00 0.00 O ATOM 486 CB VAL B 12 2.297 -8.272 -1.537 1.00 0.00 C ATOM 487 CG1 VAL B 12 3.440 -8.672 -0.573 1.00 0.00 C ATOM 488 CG2 VAL B 12 1.312 -9.422 -1.615 1.00 0.00 C ATOM 0 H VAL B 12 -0.036 -7.392 -2.351 1.00 0.00 H new ATOM 0 HA VAL B 12 1.243 -7.078 -0.032 1.00 0.00 H new ATOM 0 HB VAL B 12 2.691 -8.076 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL B 12 3.908 -9.592 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.184 -7.876 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.034 -8.831 0.426 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.827 -10.320 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.885 -9.603 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.515 -9.171 -2.315 1.00 0.00 H new ATOM 498 N GLU B 13 2.972 -5.500 -2.338 1.00 0.00 N ATOM 499 CA GLU B 13 3.992 -4.442 -2.523 1.00 0.00 C ATOM 500 C GLU B 13 3.439 -3.085 -2.137 1.00 0.00 C ATOM 501 O GLU B 13 3.979 -2.506 -1.227 1.00 0.00 O ATOM 502 CB GLU B 13 4.443 -4.421 -3.984 1.00 0.00 C ATOM 503 CG GLU B 13 4.984 -5.812 -4.379 1.00 0.00 C ATOM 504 CD GLU B 13 5.592 -5.759 -5.789 1.00 0.00 C ATOM 505 OE1 GLU B 13 4.819 -5.561 -6.714 1.00 0.00 O ATOM 506 OE2 GLU B 13 6.801 -5.917 -5.863 1.00 0.00 O ATOM 0 H GLU B 13 2.567 -5.882 -3.192 1.00 0.00 H new ATOM 0 HA GLU B 13 4.843 -4.661 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.608 -4.148 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.216 -3.665 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.738 -6.135 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.179 -6.546 -4.349 1.00 0.00 H new ATOM 513 N ALA B 14 2.415 -2.616 -2.801 1.00 0.00 N ATOM 514 CA ALA B 14 1.803 -1.284 -2.486 1.00 0.00 C ATOM 515 C ALA B 14 1.748 -0.979 -0.981 1.00 0.00 C ATOM 516 O ALA B 14 2.189 0.059 -0.535 1.00 0.00 O ATOM 517 CB ALA B 14 0.387 -1.260 -3.084 1.00 0.00 C ATOM 0 H ALA B 14 1.964 -3.112 -3.569 1.00 0.00 H new ATOM 0 HA ALA B 14 2.433 -0.509 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -0.082 -0.300 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.445 -1.402 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.207 -2.061 -2.644 1.00 0.00 H new ATOM 523 N LEU B 15 1.213 -1.910 -0.240 1.00 0.00 N ATOM 524 CA LEU B 15 1.086 -1.756 1.238 1.00 0.00 C ATOM 525 C LEU B 15 2.479 -1.740 1.857 1.00 0.00 C ATOM 526 O LEU B 15 2.744 -0.962 2.753 1.00 0.00 O ATOM 527 CB LEU B 15 0.197 -2.944 1.748 1.00 0.00 C ATOM 528 CG LEU B 15 0.819 -4.353 1.626 1.00 0.00 C ATOM 529 CD1 LEU B 15 1.678 -4.698 2.872 1.00 0.00 C ATOM 530 CD2 LEU B 15 -0.316 -5.396 1.517 1.00 0.00 C ATOM 0 H LEU B 15 0.850 -2.791 -0.605 1.00 0.00 H new ATOM 0 HA LEU B 15 0.609 -0.819 1.525 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.048 -2.766 2.795 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.742 -2.933 1.195 1.00 0.00 H new ATOM 0 HG LEU B 15 1.456 -4.369 0.741 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.102 -5.695 2.757 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.483 -3.970 2.971 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.052 -4.671 3.764 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.114 -6.394 1.430 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.942 -5.347 2.408 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.921 -5.184 0.636 1.00 0.00 H new ATOM 542 N TYR B 16 3.340 -2.590 1.358 1.00 0.00 N ATOM 543 CA TYR B 16 4.719 -2.631 1.908 1.00 0.00 C ATOM 544 C TYR B 16 5.540 -1.519 1.252 1.00 0.00 C ATOM 545 O TYR B 16 6.680 -1.328 1.621 1.00 0.00 O ATOM 546 CB TYR B 16 5.299 -4.078 1.636 1.00 0.00 C ATOM 547 CG TYR B 16 6.081 -4.416 0.338 1.00 0.00 C ATOM 548 CD1 TYR B 16 6.833 -3.532 -0.415 1.00 0.00 C ATOM 549 CD2 TYR B 16 6.042 -5.732 -0.089 1.00 0.00 C ATOM 550 CE1 TYR B 16 7.516 -3.909 -1.519 1.00 0.00 C ATOM 551 CE2 TYR B 16 6.726 -6.139 -1.216 1.00 0.00 C ATOM 552 CZ TYR B 16 7.478 -5.225 -1.948 1.00 0.00 C ATOM 553 OH TYR B 16 8.171 -5.619 -3.075 1.00 0.00 O ATOM 0 H TYR B 16 3.147 -3.248 0.603 1.00 0.00 H new ATOM 0 HA TYR B 16 4.747 -2.454 2.983 1.00 0.00 H new ATOM 0 HB2 TYR B 16 5.957 -4.316 2.472 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.458 -4.769 1.686 1.00 0.00 H new ATOM 0 HD1 TYR B 16 6.876 -2.497 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.465 -6.454 0.470 1.00 0.00 H new ATOM 0 HE1 TYR B 16 8.094 -3.181 -2.069 1.00 0.00 H new ATOM 0 HE2 TYR B 16 6.678 -7.171 -1.531 1.00 0.00 H new ATOM 0 HH TYR B 16 8.031 -6.577 -3.227 1.00 0.00 H new ATOM 563 N LEU B 17 4.937 -0.817 0.313 1.00 0.00 N ATOM 564 CA LEU B 17 5.618 0.291 -0.414 1.00 0.00 C ATOM 565 C LEU B 17 5.351 1.494 0.470 1.00 0.00 C ATOM 566 O LEU B 17 6.259 2.259 0.705 1.00 0.00 O ATOM 567 CB LEU B 17 4.983 0.451 -1.819 1.00 0.00 C ATOM 568 CG LEU B 17 6.062 0.876 -2.854 1.00 0.00 C ATOM 569 CD1 LEU B 17 5.442 0.855 -4.266 1.00 0.00 C ATOM 570 CD2 LEU B 17 6.580 2.295 -2.555 1.00 0.00 C ATOM 0 H LEU B 17 3.974 -0.978 0.019 1.00 0.00 H new ATOM 0 HA LEU B 17 6.684 0.135 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.524 -0.488 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.189 1.197 -1.784 1.00 0.00 H new ATOM 0 HG LEU B 17 6.897 0.178 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.193 1.152 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.091 -0.151 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.603 1.549 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.334 2.570 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.752 3.002 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.021 2.319 -1.559 1.00 0.00 H new ATOM 582 N VAL B 18 4.137 1.655 0.940 1.00 0.00 N ATOM 583 CA VAL B 18 3.867 2.824 1.831 1.00 0.00 C ATOM 584 C VAL B 18 4.768 2.557 3.068 1.00 0.00 C ATOM 585 O VAL B 18 5.282 3.471 3.681 1.00 0.00 O ATOM 586 CB VAL B 18 2.366 2.876 2.256 1.00 0.00 C ATOM 587 CG1 VAL B 18 2.132 4.184 3.049 1.00 0.00 C ATOM 588 CG2 VAL B 18 1.464 2.961 1.014 1.00 0.00 C ATOM 0 H VAL B 18 3.342 1.045 0.751 1.00 0.00 H new ATOM 0 HA VAL B 18 4.075 3.776 1.343 1.00 0.00 H new ATOM 0 HB VAL B 18 2.136 1.985 2.840 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.088 4.241 3.356 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.771 4.194 3.932 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.372 5.040 2.418 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.420 2.997 1.324 1.00 0.00 H new ATOM 0 HG22 VAL B 18 1.706 3.862 0.450 1.00 0.00 H new ATOM 0 HG23 VAL B 18 1.626 2.085 0.386 1.00 0.00 H new ATOM 598 N CYS B 19 4.916 1.285 3.373 1.00 0.00 N ATOM 599 CA CYS B 19 5.752 0.803 4.529 1.00 0.00 C ATOM 600 C CYS B 19 7.139 0.330 4.007 1.00 0.00 C ATOM 601 O CYS B 19 7.827 -0.439 4.652 1.00 0.00 O ATOM 602 CB CYS B 19 5.080 -0.396 5.208 1.00 0.00 C ATOM 603 SG CYS B 19 3.460 -0.274 5.998 1.00 0.00 S ATOM 0 H CYS B 19 4.474 0.531 2.847 1.00 0.00 H new ATOM 0 HA CYS B 19 5.861 1.624 5.237 1.00 0.00 H new ATOM 0 HB2 CYS B 19 5.002 -1.180 4.454 1.00 0.00 H new ATOM 0 HB3 CYS B 19 5.773 -0.754 5.969 1.00 0.00 H new ATOM 608 N GLY B 20 7.498 0.820 2.848 1.00 0.00 N ATOM 609 CA GLY B 20 8.803 0.480 2.183 1.00 0.00 C ATOM 610 C GLY B 20 9.572 1.820 2.123 1.00 0.00 C ATOM 611 O GLY B 20 10.737 1.892 2.455 1.00 0.00 O ATOM 0 H GLY B 20 6.920 1.467 2.312 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.355 -0.268 2.752 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.644 0.069 1.186 1.00 0.00 H new ATOM 615 N GLU B 21 8.830 2.803 1.679 1.00 0.00 N ATOM 616 CA GLU B 21 9.197 4.241 1.485 1.00 0.00 C ATOM 617 C GLU B 21 10.472 4.781 2.146 1.00 0.00 C ATOM 618 O GLU B 21 11.398 5.206 1.482 1.00 0.00 O ATOM 619 CB GLU B 21 7.956 5.074 1.948 1.00 0.00 C ATOM 620 CG GLU B 21 7.411 6.009 0.843 1.00 0.00 C ATOM 621 CD GLU B 21 6.842 5.199 -0.343 1.00 0.00 C ATOM 622 OE1 GLU B 21 7.638 4.812 -1.183 1.00 0.00 O ATOM 623 OE2 GLU B 21 5.637 5.006 -0.345 1.00 0.00 O ATOM 0 H GLU B 21 7.860 2.634 1.411 1.00 0.00 H new ATOM 0 HA GLU B 21 9.453 4.335 0.430 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.165 4.393 2.263 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.229 5.670 2.819 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.632 6.650 1.256 1.00 0.00 H new ATOM 0 HG3 GLU B 21 8.208 6.663 0.491 1.00 0.00 H new ATOM 630 N ARG B 22 10.457 4.746 3.449 1.00 0.00 N ATOM 631 CA ARG B 22 11.614 5.239 4.265 1.00 0.00 C ATOM 632 C ARG B 22 12.232 4.138 5.135 1.00 0.00 C ATOM 633 O ARG B 22 12.579 4.351 6.281 1.00 0.00 O ATOM 634 CB ARG B 22 11.089 6.421 5.127 1.00 0.00 C ATOM 635 CG ARG B 22 10.911 7.690 4.256 1.00 0.00 C ATOM 636 CD ARG B 22 12.306 8.234 3.850 1.00 0.00 C ATOM 637 NE ARG B 22 12.461 8.152 2.367 1.00 0.00 N ATOM 638 CZ ARG B 22 12.820 9.219 1.704 1.00 0.00 C ATOM 639 NH1 ARG B 22 14.086 9.531 1.662 1.00 0.00 N ATOM 640 NH2 ARG B 22 11.907 9.940 1.112 1.00 0.00 N ATOM 0 H ARG B 22 9.676 4.389 3.999 1.00 0.00 H new ATOM 0 HA ARG B 22 12.419 5.565 3.607 1.00 0.00 H new ATOM 0 HB2 ARG B 22 10.138 6.151 5.585 1.00 0.00 H new ATOM 0 HB3 ARG B 22 11.787 6.625 5.939 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.327 7.455 3.366 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.359 8.450 4.809 1.00 0.00 H new ATOM 0 HD2 ARG B 22 12.416 9.267 4.181 1.00 0.00 H new ATOM 0 HD3 ARG B 22 13.090 7.657 4.341 1.00 0.00 H new ATOM 0 HE ARG B 22 12.289 7.274 1.878 1.00 0.00 H new ATOM 0 HH11 ARG B 22 14.771 8.947 2.141 1.00 0.00 H new ATOM 0 HH12 ARG B 22 14.390 10.359 1.151 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.926 9.668 1.170 1.00 0.00 H new ATOM 0 HH22 ARG B 22 12.175 10.775 0.591 1.00 0.00 H new ATOM 654 N GLY B 23 12.347 2.980 4.538 1.00 0.00 N ATOM 655 CA GLY B 23 12.931 1.794 5.226 1.00 0.00 C ATOM 656 C GLY B 23 14.032 1.198 4.357 1.00 0.00 C ATOM 657 O GLY B 23 15.181 1.121 4.748 1.00 0.00 O ATOM 0 H GLY B 23 12.052 2.805 3.577 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.335 2.084 6.196 1.00 0.00 H new ATOM 0 HA3 GLY B 23 12.157 1.050 5.413 1.00 0.00 H new ATOM 661 N GLY B 24 13.612 0.798 3.187 1.00 0.00 N ATOM 662 CA GLY B 24 14.549 0.179 2.191 1.00 0.00 C ATOM 663 C GLY B 24 14.171 0.272 0.730 1.00 0.00 C ATOM 664 O GLY B 24 14.905 -0.053 -0.183 1.00 0.00 O ATOM 0 H GLY B 24 12.645 0.873 2.870 1.00 0.00 H new ATOM 0 HA2 GLY B 24 15.528 0.642 2.316 1.00 0.00 H new ATOM 0 HA3 GLY B 24 14.661 -0.875 2.444 1.00 0.00 H new ATOM 668 N PHE B 25 12.984 0.739 0.635 1.00 0.00 N ATOM 669 CA PHE B 25 12.274 0.962 -0.662 1.00 0.00 C ATOM 670 C PHE B 25 12.042 2.459 -0.874 1.00 0.00 C ATOM 671 O PHE B 25 11.135 3.041 -0.313 1.00 0.00 O ATOM 672 CB PHE B 25 10.921 0.236 -0.641 1.00 0.00 C ATOM 673 CG PHE B 25 11.088 -1.254 -0.304 1.00 0.00 C ATOM 674 CD1 PHE B 25 11.161 -1.662 1.016 1.00 0.00 C ATOM 675 CD2 PHE B 25 11.165 -2.203 -1.306 1.00 0.00 C ATOM 676 CE1 PHE B 25 11.308 -2.996 1.331 1.00 0.00 C ATOM 677 CE2 PHE B 25 11.312 -3.538 -0.991 1.00 0.00 C ATOM 678 CZ PHE B 25 11.382 -3.936 0.327 1.00 0.00 C ATOM 0 H PHE B 25 12.427 0.997 1.449 1.00 0.00 H new ATOM 0 HA PHE B 25 12.885 0.571 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.266 0.705 0.093 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.436 0.339 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE B 25 11.102 -0.929 1.807 1.00 0.00 H new ATOM 0 HD2 PHE B 25 11.110 -1.898 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE B 25 11.365 -3.304 2.365 1.00 0.00 H new ATOM 0 HE2 PHE B 25 11.372 -4.274 -1.779 1.00 0.00 H new ATOM 0 HZ PHE B 25 11.495 -4.982 0.572 1.00 0.00 H new ATOM 688 N TYR B 26 12.887 3.026 -1.688 1.00 0.00 N ATOM 689 CA TYR B 26 12.819 4.483 -2.019 1.00 0.00 C ATOM 690 C TYR B 26 12.423 4.622 -3.497 1.00 0.00 C ATOM 691 O TYR B 26 12.032 3.654 -4.122 1.00 0.00 O ATOM 692 CB TYR B 26 14.211 5.120 -1.752 1.00 0.00 C ATOM 693 CG TYR B 26 15.305 4.459 -2.618 1.00 0.00 C ATOM 694 CD1 TYR B 26 15.760 3.182 -2.339 1.00 0.00 C ATOM 695 CD2 TYR B 26 15.842 5.133 -3.698 1.00 0.00 C ATOM 696 CE1 TYR B 26 16.728 2.595 -3.123 1.00 0.00 C ATOM 697 CE2 TYR B 26 16.811 4.545 -4.483 1.00 0.00 C ATOM 698 CZ TYR B 26 17.260 3.271 -4.199 1.00 0.00 C ATOM 699 OH TYR B 26 18.227 2.675 -4.980 1.00 0.00 O ATOM 0 H TYR B 26 13.646 2.527 -2.153 1.00 0.00 H new ATOM 0 HA TYR B 26 12.080 4.996 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR B 26 14.171 6.188 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR B 26 14.466 5.014 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR B 26 15.352 2.641 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR B 26 15.499 6.131 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR B 26 17.073 1.598 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR B 26 17.221 5.084 -5.324 1.00 0.00 H new ATOM 0 HH TYR B 26 18.797 3.365 -5.378 1.00 0.00 H new ATOM 709 N THR B 27 12.535 5.819 -4.012 1.00 0.00 N ATOM 710 CA THR B 27 12.178 6.070 -5.439 1.00 0.00 C ATOM 711 C THR B 27 13.497 6.175 -6.234 1.00 0.00 C ATOM 712 O THR B 27 14.365 6.943 -5.872 1.00 0.00 O ATOM 713 CB THR B 27 11.337 7.385 -5.499 1.00 0.00 C ATOM 714 OG1 THR B 27 11.161 7.682 -6.879 1.00 0.00 O ATOM 715 CG2 THR B 27 12.070 8.619 -4.927 1.00 0.00 C ATOM 0 H THR B 27 12.861 6.639 -3.501 1.00 0.00 H new ATOM 0 HA THR B 27 11.579 5.270 -5.874 1.00 0.00 H new ATOM 0 HB THR B 27 10.427 7.215 -4.924 1.00 0.00 H new ATOM 0 HG1 THR B 27 10.634 8.503 -6.972 1.00 0.00 H new ATOM 0 HG21 THR B 27 11.424 9.494 -5.003 1.00 0.00 H new ATOM 0 HG22 THR B 27 12.319 8.442 -3.881 1.00 0.00 H new ATOM 0 HG23 THR B 27 12.985 8.794 -5.493 1.00 0.00 H new ATOM 723 N PRO B 28 13.610 5.400 -7.293 1.00 0.00 N ATOM 724 CA PRO B 28 14.913 5.066 -7.937 1.00 0.00 C ATOM 725 C PRO B 28 15.616 6.326 -8.464 1.00 0.00 C ATOM 726 O PRO B 28 15.418 6.736 -9.591 1.00 0.00 O ATOM 727 CB PRO B 28 14.526 4.050 -9.028 1.00 0.00 C ATOM 728 CG PRO B 28 13.092 4.491 -9.400 1.00 0.00 C ATOM 729 CD PRO B 28 12.472 4.760 -8.020 1.00 0.00 C ATOM 0 HA PRO B 28 15.649 4.642 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO B 28 15.200 4.096 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO B 28 14.552 3.026 -8.657 1.00 0.00 H new ATOM 0 HG2 PRO B 28 13.089 5.381 -10.029 1.00 0.00 H new ATOM 0 HG3 PRO B 28 12.555 3.714 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO B 28 11.605 5.418 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO B 28 12.141 3.842 -7.534 1.00 0.00 H new ATOM 737 N LYS B 29 16.418 6.895 -7.601 1.00 0.00 N ATOM 738 CA LYS B 29 17.180 8.133 -7.936 1.00 0.00 C ATOM 739 C LYS B 29 18.674 7.811 -8.047 1.00 0.00 C ATOM 740 O LYS B 29 19.286 8.040 -9.073 1.00 0.00 O ATOM 741 CB LYS B 29 16.868 9.145 -6.818 1.00 0.00 C ATOM 742 CG LYS B 29 17.529 10.506 -7.076 1.00 0.00 C ATOM 743 CD LYS B 29 17.061 11.473 -5.968 1.00 0.00 C ATOM 744 CE LYS B 29 17.827 12.802 -6.060 1.00 0.00 C ATOM 745 NZ LYS B 29 17.620 13.443 -7.392 1.00 0.00 N ATOM 0 H LYS B 29 16.579 6.544 -6.657 1.00 0.00 H new ATOM 0 HA LYS B 29 16.893 8.553 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.789 9.275 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.214 8.749 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.615 10.411 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.250 10.887 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.991 11.655 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.221 11.020 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS B 29 17.491 13.475 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS B 29 18.890 12.626 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 17.987 14.416 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 18.125 12.899 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 16.604 13.461 -7.615 1.00 0.00 H new ATOM 759 N THR B 30 19.200 7.290 -6.973 1.00 0.00 N ATOM 760 CA THR B 30 20.651 6.908 -6.905 1.00 0.00 C ATOM 761 C THR B 30 20.829 5.435 -6.531 1.00 0.00 C ATOM 762 O THR B 30 19.931 4.749 -6.086 1.00 0.00 O ATOM 763 CB THR B 30 21.378 7.788 -5.862 1.00 0.00 C ATOM 764 OG1 THR B 30 20.588 7.720 -4.681 1.00 0.00 O ATOM 765 CG2 THR B 30 21.371 9.264 -6.278 1.00 0.00 C ATOM 0 H THR B 30 18.677 7.106 -6.117 1.00 0.00 H new ATOM 0 HA THR B 30 21.081 7.066 -7.894 1.00 0.00 H new ATOM 0 HB THR B 30 22.406 7.443 -5.747 1.00 0.00 H new ATOM 0 HG1 THR B 30 21.003 8.262 -3.978 1.00 0.00 H new ATOM 0 HG21 THR B 30 21.890 9.857 -5.525 1.00 0.00 H new ATOM 0 HG22 THR B 30 21.877 9.374 -7.237 1.00 0.00 H new ATOM 0 HG23 THR B 30 20.342 9.612 -6.368 1.00 0.00 H new TER 773 THR B 30