USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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+ 141:sc= 0.0397 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.18! C(o=-2.2!,f=-5.8!) USER MOD Single : A 8 THR OG1 : rot -135:sc= 0.707 USER MOD Single : A 9 SER OG : rot -48:sc= 0.742 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00712 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -148:sc= 0.0192 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.399 F(o=-2.2!,f=-0.4) USER MOD Single : B 4 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.9!) USER MOD Single : B 5 HIS : no HD1:sc= -2.71 X(o=-2.7,f=-2.4) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0959 USER MOD Single : B 10 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.013) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -3.26! C(o=-6.1!,f=-3.3!) USER MOD Single : B 26 TYR OH : rot 180:sc= -2.07! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 150:sc= -0.47 (180deg=-0.93) USER MOD Single : B 30 THR OG1 : rot -56:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.952 5.556 9.691 1.00 0.00 N ATOM 2 CA GLY A 1 -1.908 5.543 8.201 1.00 0.00 C ATOM 3 C GLY A 1 -0.702 4.738 7.728 1.00 0.00 C ATOM 4 O GLY A 1 0.320 4.674 8.383 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.250 6.496 10.021 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.629 4.841 10.025 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.007 5.340 10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.825 5.108 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.848 6.563 7.821 1.00 0.00 H new ATOM 10 N ILE A 2 -0.829 4.121 6.593 1.00 0.00 N ATOM 11 CA ILE A 2 0.283 3.303 6.046 1.00 0.00 C ATOM 12 C ILE A 2 1.172 4.184 5.160 1.00 0.00 C ATOM 13 O ILE A 2 2.121 3.719 4.562 1.00 0.00 O ATOM 14 CB ILE A 2 -0.347 2.148 5.249 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.187 0.808 5.766 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.060 2.268 3.748 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.785 -0.314 5.381 1.00 0.00 C ATOM 0 H ILE A 2 -1.667 4.148 6.012 1.00 0.00 H new ATOM 0 HA ILE A 2 0.912 2.896 6.837 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.427 2.200 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.172 0.610 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.305 0.845 6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.522 1.433 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.470 3.206 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.017 2.251 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.405 -1.267 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.761 -0.117 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.881 -0.356 4.296 1.00 0.00 H new ATOM 29 N VAL A 3 0.864 5.448 5.063 1.00 0.00 N ATOM 30 CA VAL A 3 1.685 6.351 4.211 1.00 0.00 C ATOM 31 C VAL A 3 2.867 6.886 5.022 1.00 0.00 C ATOM 32 O VAL A 3 3.961 7.035 4.520 1.00 0.00 O ATOM 33 CB VAL A 3 0.821 7.517 3.732 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.684 8.495 2.931 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.307 6.984 2.841 1.00 0.00 C ATOM 0 H VAL A 3 0.079 5.894 5.537 1.00 0.00 H new ATOM 0 HA VAL A 3 2.061 5.799 3.350 1.00 0.00 H new ATOM 0 HB VAL A 3 0.393 8.030 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.069 9.327 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.487 8.874 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.112 7.982 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.924 7.815 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.121 6.471 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.921 6.286 3.410 1.00 0.00 H new ATOM 45 N GLU A 4 2.657 7.174 6.277 1.00 0.00 N ATOM 46 CA GLU A 4 3.775 7.697 7.113 1.00 0.00 C ATOM 47 C GLU A 4 4.724 6.552 7.471 1.00 0.00 C ATOM 48 O GLU A 4 5.713 6.745 8.152 1.00 0.00 O ATOM 49 CB GLU A 4 3.208 8.312 8.393 1.00 0.00 C ATOM 50 CG GLU A 4 2.387 7.261 9.146 1.00 0.00 C ATOM 51 CD GLU A 4 2.162 7.726 10.584 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.802 8.877 10.766 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.352 6.921 11.482 1.00 0.00 O ATOM 0 H GLU A 4 1.764 7.071 6.758 1.00 0.00 H new ATOM 0 HA GLU A 4 4.321 8.458 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.019 8.676 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.583 9.171 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.430 7.107 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.908 6.304 9.139 1.00 0.00 H new ATOM 60 N GLN A 5 4.435 5.360 7.024 1.00 0.00 N ATOM 61 CA GLN A 5 5.324 4.208 7.346 1.00 0.00 C ATOM 62 C GLN A 5 5.760 3.514 6.055 1.00 0.00 C ATOM 63 O GLN A 5 6.823 2.926 5.983 1.00 0.00 O ATOM 64 CB GLN A 5 4.565 3.214 8.226 1.00 0.00 C ATOM 65 CG GLN A 5 5.104 3.282 9.655 1.00 0.00 C ATOM 66 CD GLN A 5 4.206 4.190 10.495 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.077 4.457 10.128 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.659 4.682 11.617 1.00 0.00 N ATOM 0 H GLN A 5 3.622 5.134 6.450 1.00 0.00 H new ATOM 0 HA GLN A 5 6.206 4.569 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.500 3.444 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.677 2.204 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.138 2.283 10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.125 3.664 9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.605 4.459 11.926 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.067 5.289 12.184 1.00 0.00 H new ATOM 77 N CYS A 6 4.951 3.572 5.034 1.00 0.00 N ATOM 78 CA CYS A 6 5.318 2.912 3.750 1.00 0.00 C ATOM 79 C CYS A 6 5.985 3.931 2.822 1.00 0.00 C ATOM 80 O CYS A 6 7.008 3.662 2.223 1.00 0.00 O ATOM 81 CB CYS A 6 4.060 2.360 3.080 1.00 0.00 C ATOM 82 SG CYS A 6 3.336 1.071 4.126 1.00 0.00 S ATOM 0 H CYS A 6 4.049 4.049 5.033 1.00 0.00 H new ATOM 0 HA CYS A 6 6.011 2.095 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.339 3.161 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.306 1.952 2.100 1.00 0.00 H new ATOM 87 N CYS A 7 5.419 5.100 2.701 1.00 0.00 N ATOM 88 CA CYS A 7 6.027 6.133 1.814 1.00 0.00 C ATOM 89 C CYS A 7 7.346 6.610 2.429 1.00 0.00 C ATOM 90 O CYS A 7 8.332 6.789 1.742 1.00 0.00 O ATOM 91 CB CYS A 7 5.056 7.312 1.669 1.00 0.00 C ATOM 92 SG CYS A 7 5.919 8.750 0.984 1.00 0.00 S ATOM 0 H CYS A 7 4.563 5.385 3.177 1.00 0.00 H new ATOM 0 HA CYS A 7 6.223 5.710 0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.227 7.032 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.629 7.563 2.640 1.00 0.00 H new ATOM 97 N THR A 8 7.373 6.814 3.718 1.00 0.00 N ATOM 98 CA THR A 8 8.631 7.277 4.373 1.00 0.00 C ATOM 99 C THR A 8 9.672 6.158 4.317 1.00 0.00 C ATOM 100 O THR A 8 10.776 6.349 3.847 1.00 0.00 O ATOM 101 CB THR A 8 8.342 7.633 5.835 1.00 0.00 C ATOM 102 OG1 THR A 8 7.976 6.458 6.543 1.00 0.00 O ATOM 103 CG2 THR A 8 7.201 8.648 5.900 1.00 0.00 C ATOM 0 H THR A 8 6.580 6.681 4.346 1.00 0.00 H new ATOM 0 HA THR A 8 9.012 8.156 3.853 1.00 0.00 H new ATOM 0 HB THR A 8 9.234 8.066 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.198 6.646 7.108 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.997 8.900 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.485 9.550 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.306 8.219 5.448 1.00 0.00 H new ATOM 111 N SER A 9 9.330 4.993 4.795 1.00 0.00 N ATOM 112 CA SER A 9 10.298 3.862 4.769 1.00 0.00 C ATOM 113 C SER A 9 9.758 2.755 3.856 1.00 0.00 C ATOM 114 O SER A 9 9.160 3.023 2.835 1.00 0.00 O ATOM 115 CB SER A 9 10.484 3.320 6.187 1.00 0.00 C ATOM 116 OG SER A 9 9.388 2.480 6.518 1.00 0.00 O ATOM 0 H SER A 9 8.421 4.776 5.203 1.00 0.00 H new ATOM 0 HA SER A 9 11.259 4.208 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.418 2.762 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.552 4.144 6.897 1.00 0.00 H new ATOM 0 HG SER A 9 8.549 2.931 6.289 1.00 0.00 H new ATOM 122 N ILE A 10 9.961 1.513 4.212 1.00 0.00 N ATOM 123 CA ILE A 10 9.452 0.405 3.354 1.00 0.00 C ATOM 124 C ILE A 10 8.724 -0.621 4.225 1.00 0.00 C ATOM 125 O ILE A 10 9.327 -1.516 4.785 1.00 0.00 O ATOM 126 CB ILE A 10 10.627 -0.268 2.642 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.428 0.790 1.879 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.096 -1.311 1.657 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.420 0.103 0.938 1.00 0.00 C ATOM 0 H ILE A 10 10.455 1.220 5.055 1.00 0.00 H new ATOM 0 HA ILE A 10 8.761 0.806 2.613 1.00 0.00 H new ATOM 0 HB ILE A 10 11.269 -0.755 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.754 1.430 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.961 1.432 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.933 -1.791 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.520 -2.062 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.456 -0.824 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.989 0.858 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.102 -0.518 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.876 -0.521 0.228 1.00 0.00 H new ATOM 141 N CYS A 11 7.430 -0.497 4.341 1.00 0.00 N ATOM 142 CA CYS A 11 6.656 -1.460 5.174 1.00 0.00 C ATOM 143 C CYS A 11 6.578 -2.814 4.462 1.00 0.00 C ATOM 144 O CYS A 11 7.191 -3.022 3.434 1.00 0.00 O ATOM 145 CB CYS A 11 5.241 -0.916 5.388 1.00 0.00 C ATOM 146 SG CYS A 11 4.487 -0.554 3.782 1.00 0.00 S ATOM 0 H CYS A 11 6.874 0.232 3.893 1.00 0.00 H new ATOM 0 HA CYS A 11 7.152 -1.588 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.637 -1.644 5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.275 -0.013 5.998 1.00 0.00 H new ATOM 151 N SER A 12 5.827 -3.735 5.003 1.00 0.00 N ATOM 152 CA SER A 12 5.707 -5.075 4.360 1.00 0.00 C ATOM 153 C SER A 12 4.270 -5.279 3.871 1.00 0.00 C ATOM 154 O SER A 12 3.378 -4.520 4.198 1.00 0.00 O ATOM 155 CB SER A 12 6.058 -6.161 5.378 1.00 0.00 C ATOM 156 OG SER A 12 5.574 -5.778 6.657 1.00 0.00 O ATOM 0 H SER A 12 5.291 -3.617 5.863 1.00 0.00 H new ATOM 0 HA SER A 12 6.391 -5.135 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.617 -7.112 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.138 -6.307 5.414 1.00 0.00 H new ATOM 0 HG SER A 12 5.796 -6.472 7.312 1.00 0.00 H new ATOM 162 N LEU A 13 4.038 -6.298 3.090 1.00 0.00 N ATOM 163 CA LEU A 13 2.660 -6.552 2.581 1.00 0.00 C ATOM 164 C LEU A 13 1.715 -6.795 3.760 1.00 0.00 C ATOM 165 O LEU A 13 0.533 -6.524 3.686 1.00 0.00 O ATOM 166 CB LEU A 13 2.672 -7.784 1.674 1.00 0.00 C ATOM 167 CG LEU A 13 2.668 -7.340 0.212 1.00 0.00 C ATOM 168 CD1 LEU A 13 2.612 -8.568 -0.697 1.00 0.00 C ATOM 169 CD2 LEU A 13 1.445 -6.458 -0.046 1.00 0.00 C ATOM 0 H LEU A 13 4.744 -6.967 2.782 1.00 0.00 H new ATOM 0 HA LEU A 13 2.317 -5.686 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.554 -8.391 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.802 -8.408 1.878 1.00 0.00 H new ATOM 0 HG LEU A 13 3.577 -6.776 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.609 -8.249 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.483 -9.197 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.704 -9.134 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.439 -6.140 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.537 -7.023 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.485 -5.582 0.601 1.00 0.00 H new ATOM 181 N TYR A 14 2.228 -7.299 4.846 1.00 0.00 N ATOM 182 CA TYR A 14 1.364 -7.557 6.031 1.00 0.00 C ATOM 183 C TYR A 14 0.678 -6.253 6.446 1.00 0.00 C ATOM 184 O TYR A 14 -0.439 -6.251 6.924 1.00 0.00 O ATOM 185 CB TYR A 14 2.230 -8.083 7.181 1.00 0.00 C ATOM 186 CG TYR A 14 1.493 -7.936 8.492 1.00 0.00 C ATOM 187 CD1 TYR A 14 0.139 -8.283 8.578 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.165 -7.450 9.618 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.542 -8.144 9.792 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.483 -7.310 10.834 1.00 0.00 C ATOM 191 CZ TYR A 14 0.129 -7.656 10.920 1.00 0.00 C ATOM 192 OH TYR A 14 -0.543 -7.518 12.119 1.00 0.00 O ATOM 0 H TYR A 14 3.211 -7.544 4.965 1.00 0.00 H new ATOM 0 HA TYR A 14 0.605 -8.300 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.479 -9.130 7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.171 -7.534 7.220 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.379 -8.658 7.708 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.209 -7.183 9.550 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.586 -8.413 9.859 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.001 -6.935 11.704 1.00 0.00 H new ATOM 0 HH TYR A 14 0.070 -7.168 12.799 1.00 0.00 H new ATOM 202 N GLN A 15 1.338 -5.143 6.269 1.00 0.00 N ATOM 203 CA GLN A 15 0.724 -3.844 6.658 1.00 0.00 C ATOM 204 C GLN A 15 -0.438 -3.523 5.713 1.00 0.00 C ATOM 205 O GLN A 15 -1.500 -3.116 6.142 1.00 0.00 O ATOM 206 CB GLN A 15 1.772 -2.736 6.572 1.00 0.00 C ATOM 207 CG GLN A 15 2.719 -2.833 7.769 1.00 0.00 C ATOM 208 CD GLN A 15 2.780 -1.482 8.482 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.811 -0.838 8.503 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.713 -1.020 9.073 1.00 0.00 N ATOM 0 H GLN A 15 2.275 -5.079 5.872 1.00 0.00 H new ATOM 0 HA GLN A 15 0.352 -3.912 7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.334 -2.824 5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.285 -1.761 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.374 -3.604 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.715 -3.126 7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.847 -1.559 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.744 -0.120 9.552 1.00 0.00 H new ATOM 219 N LEU A 16 -0.247 -3.698 4.435 1.00 0.00 N ATOM 220 CA LEU A 16 -1.345 -3.397 3.475 1.00 0.00 C ATOM 221 C LEU A 16 -2.462 -4.432 3.624 1.00 0.00 C ATOM 222 O LEU A 16 -3.525 -4.296 3.051 1.00 0.00 O ATOM 223 CB LEU A 16 -0.807 -3.429 2.040 1.00 0.00 C ATOM 224 CG LEU A 16 0.466 -2.574 1.913 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.566 -2.045 0.482 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.418 -1.382 2.879 1.00 0.00 C ATOM 0 H LEU A 16 0.619 -4.035 4.015 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.740 -2.404 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.590 -4.457 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.568 -3.059 1.353 1.00 0.00 H new ATOM 0 HG LEU A 16 1.330 -3.192 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.465 -1.437 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.614 -2.883 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.310 -1.437 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.328 -0.791 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.447 -0.761 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.340 -1.747 3.903 1.00 0.00 H new ATOM 238 N GLU A 17 -2.237 -5.463 4.392 1.00 0.00 N ATOM 239 CA GLU A 17 -3.298 -6.494 4.574 1.00 0.00 C ATOM 240 C GLU A 17 -4.494 -5.860 5.287 1.00 0.00 C ATOM 241 O GLU A 17 -5.615 -6.314 5.164 1.00 0.00 O ATOM 242 CB GLU A 17 -2.752 -7.647 5.416 1.00 0.00 C ATOM 243 CG GLU A 17 -1.767 -8.468 4.581 1.00 0.00 C ATOM 244 CD GLU A 17 -1.656 -9.877 5.166 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.204 -10.098 6.234 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.022 -10.709 4.538 1.00 0.00 O ATOM 0 H GLU A 17 -1.369 -5.636 4.899 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.610 -6.876 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.256 -7.258 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.570 -8.280 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.104 -8.518 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.789 -7.987 4.575 1.00 0.00 H new ATOM 253 N ASN A 18 -4.262 -4.812 6.030 1.00 0.00 N ATOM 254 CA ASN A 18 -5.384 -4.144 6.749 1.00 0.00 C ATOM 255 C ASN A 18 -6.226 -3.348 5.750 1.00 0.00 C ATOM 256 O ASN A 18 -7.368 -3.019 6.005 1.00 0.00 O ATOM 257 CB ASN A 18 -4.817 -3.192 7.808 1.00 0.00 C ATOM 258 CG ASN A 18 -5.494 -3.461 9.155 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.648 -3.134 9.344 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.817 -4.043 10.107 1.00 0.00 N ATOM 0 H ASN A 18 -3.344 -4.390 6.170 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.006 -4.898 7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.740 -3.331 7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.981 -2.157 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.257 -4.223 11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.848 -4.318 9.949 1.00 0.00 H new ATOM 267 N TYR A 19 -5.669 -3.035 4.611 1.00 0.00 N ATOM 268 CA TYR A 19 -6.432 -2.259 3.593 1.00 0.00 C ATOM 269 C TYR A 19 -7.366 -3.197 2.822 1.00 0.00 C ATOM 270 O TYR A 19 -8.044 -2.791 1.902 1.00 0.00 O ATOM 271 CB TYR A 19 -5.451 -1.596 2.623 1.00 0.00 C ATOM 272 CG TYR A 19 -5.021 -0.267 3.182 1.00 0.00 C ATOM 273 CD1 TYR A 19 -5.784 0.881 2.931 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.865 -0.183 3.957 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.384 2.115 3.463 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.470 1.048 4.484 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.228 2.197 4.240 1.00 0.00 C ATOM 278 OH TYR A 19 -3.830 3.410 4.765 1.00 0.00 O ATOM 0 H TYR A 19 -4.717 -3.284 4.342 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.027 -1.493 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.583 -2.237 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.921 -1.459 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.678 0.816 2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.277 -1.068 4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.970 3.002 3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.574 1.113 5.083 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.649 3.308 5.723 1.00 0.00 H new ATOM 288 N CYS A 20 -7.412 -4.447 3.197 1.00 0.00 N ATOM 289 CA CYS A 20 -8.307 -5.402 2.486 1.00 0.00 C ATOM 290 C CYS A 20 -9.743 -5.208 2.974 1.00 0.00 C ATOM 291 O CYS A 20 -9.995 -5.050 4.153 1.00 0.00 O ATOM 292 CB CYS A 20 -7.860 -6.834 2.770 1.00 0.00 C ATOM 293 SG CYS A 20 -7.058 -7.516 1.299 1.00 0.00 S ATOM 0 H CYS A 20 -6.870 -4.846 3.963 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.257 -5.216 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.171 -6.851 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.718 -7.446 3.047 1.00 0.00 H new ATOM 298 N ASN A 21 -10.689 -5.218 2.077 1.00 0.00 N ATOM 299 CA ASN A 21 -12.110 -5.032 2.487 1.00 0.00 C ATOM 300 C ASN A 21 -12.886 -6.328 2.245 1.00 0.00 C ATOM 301 O ASN A 21 -12.827 -6.833 1.136 1.00 0.00 O ATOM 302 CB ASN A 21 -12.730 -3.902 1.663 1.00 0.00 C ATOM 303 CG ASN A 21 -14.081 -3.511 2.264 1.00 0.00 C ATOM 304 OD1 ASN A 21 -14.142 -2.726 3.192 1.00 0.00 O ATOM 305 ND2 ASN A 21 -15.175 -4.024 1.775 1.00 0.00 N ATOM 306 OXT ASN A 21 -13.525 -6.795 3.173 1.00 0.00 O ATOM 0 H ASN A 21 -10.540 -5.347 1.076 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.154 -4.778 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.063 -3.040 1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.859 -4.221 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.080 -3.767 2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.126 -4.682 0.997 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.719 -10.388 -2.006 1.00 0.00 N ATOM 315 CA PHE B 1 8.953 -9.473 -2.899 1.00 0.00 C ATOM 316 C PHE B 1 9.805 -8.241 -3.218 1.00 0.00 C ATOM 317 O PHE B 1 10.974 -8.181 -2.892 1.00 0.00 O ATOM 318 CB PHE B 1 7.664 -9.037 -2.199 1.00 0.00 C ATOM 319 CG PHE B 1 6.474 -9.476 -3.018 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.067 -10.816 -2.999 1.00 0.00 C ATOM 321 CD2 PHE B 1 5.778 -8.544 -3.796 1.00 0.00 C ATOM 322 CE1 PHE B 1 4.964 -11.223 -3.759 1.00 0.00 C ATOM 323 CE2 PHE B 1 4.674 -8.951 -4.555 1.00 0.00 C ATOM 324 CZ PHE B 1 4.268 -10.290 -4.537 1.00 0.00 C ATOM 0 H1 PHE B 1 9.451 -11.373 -2.206 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.738 -10.265 -2.175 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.503 -10.165 -1.013 1.00 0.00 H new ATOM 0 HA PHE B 1 8.704 -9.992 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.614 -9.474 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.654 -7.954 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.604 -11.535 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.092 -7.511 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.650 -12.256 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.136 -8.232 -5.154 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.417 -10.604 -5.124 1.00 0.00 H new ATOM 336 N VAL B 2 9.227 -7.260 -3.854 1.00 0.00 N ATOM 337 CA VAL B 2 10.005 -6.035 -4.197 1.00 0.00 C ATOM 338 C VAL B 2 10.104 -5.128 -2.970 1.00 0.00 C ATOM 339 O VAL B 2 9.125 -4.865 -2.300 1.00 0.00 O ATOM 340 CB VAL B 2 9.301 -5.284 -5.331 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.329 -4.477 -6.124 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.616 -6.289 -6.261 1.00 0.00 C ATOM 0 H VAL B 2 8.251 -7.253 -4.151 1.00 0.00 H new ATOM 0 HA VAL B 2 11.007 -6.321 -4.516 1.00 0.00 H new ATOM 0 HB VAL B 2 8.555 -4.610 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.828 -3.943 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.818 -3.761 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.075 -5.151 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.115 -5.755 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.362 -6.964 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.882 -6.865 -5.697 1.00 0.00 H new ATOM 352 N ASN B 3 11.279 -4.643 -2.672 1.00 0.00 N ATOM 353 CA ASN B 3 11.441 -3.749 -1.491 1.00 0.00 C ATOM 354 C ASN B 3 11.539 -2.297 -1.963 1.00 0.00 C ATOM 355 O ASN B 3 12.593 -1.694 -1.932 1.00 0.00 O ATOM 356 CB ASN B 3 12.716 -4.126 -0.735 1.00 0.00 C ATOM 357 CG ASN B 3 13.881 -4.241 -1.721 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.446 -5.401 -1.912 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 14.281 -3.265 -2.323 1.00 0.00 N flip ATOM 0 H ASN B 3 12.134 -4.828 -3.196 1.00 0.00 H new ATOM 0 HA ASN B 3 10.582 -3.861 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.939 -3.373 0.021 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.575 -5.071 -0.211 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.840 -2.358 -2.174 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.058 -3.353 -2.978 1.00 0.00 H new ATOM 366 N GLN B 4 10.446 -1.731 -2.401 1.00 0.00 N ATOM 367 CA GLN B 4 10.478 -0.318 -2.877 1.00 0.00 C ATOM 368 C GLN B 4 9.630 0.550 -1.944 1.00 0.00 C ATOM 369 O GLN B 4 8.877 0.052 -1.132 1.00 0.00 O ATOM 370 CB GLN B 4 9.911 -0.248 -4.298 1.00 0.00 C ATOM 371 CG GLN B 4 10.663 0.819 -5.097 1.00 0.00 C ATOM 372 CD GLN B 4 11.111 0.232 -6.437 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.675 -0.834 -6.824 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.969 0.890 -7.168 1.00 0.00 N ATOM 0 H GLN B 4 9.534 -2.185 -2.450 1.00 0.00 H new ATOM 0 HA GLN B 4 11.506 0.046 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.006 -1.218 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.848 -0.011 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.021 1.684 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.528 1.168 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.335 1.785 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.273 0.509 -8.064 1.00 0.00 H new ATOM 383 N HIS B 5 9.746 1.846 -2.054 1.00 0.00 N ATOM 384 CA HIS B 5 8.944 2.742 -1.173 1.00 0.00 C ATOM 385 C HIS B 5 7.536 2.899 -1.749 1.00 0.00 C ATOM 386 O HIS B 5 7.274 2.534 -2.877 1.00 0.00 O ATOM 387 CB HIS B 5 9.619 4.114 -1.092 1.00 0.00 C ATOM 388 CG HIS B 5 10.759 4.055 -0.112 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.811 3.165 -0.253 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.026 4.773 1.027 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.654 3.368 0.776 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.222 4.336 1.586 1.00 0.00 N ATOM 0 H HIS B 5 10.360 2.322 -2.715 1.00 0.00 H new ATOM 0 HA HIS B 5 8.881 2.308 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.985 4.409 -2.075 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.897 4.869 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.402 5.558 1.428 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.569 2.815 0.928 1.00 0.00 H new ATOM 0 HE2 HIS B 5 12.672 4.681 2.434 1.00 0.00 H new ATOM 400 N LEU B 6 6.629 3.440 -0.983 1.00 0.00 N ATOM 401 CA LEU B 6 5.240 3.619 -1.489 1.00 0.00 C ATOM 402 C LEU B 6 4.786 5.058 -1.233 1.00 0.00 C ATOM 403 O LEU B 6 4.133 5.350 -0.251 1.00 0.00 O ATOM 404 CB LEU B 6 4.305 2.651 -0.760 1.00 0.00 C ATOM 405 CG LEU B 6 4.846 1.227 -0.888 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.916 0.259 -0.155 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.920 0.843 -2.366 1.00 0.00 C ATOM 0 H LEU B 6 6.790 3.765 -0.030 1.00 0.00 H new ATOM 0 HA LEU B 6 5.212 3.415 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.225 2.928 0.291 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.302 2.710 -1.182 1.00 0.00 H new ATOM 0 HG LEU B 6 5.842 1.175 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.302 -0.756 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.863 0.533 0.899 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.920 0.309 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.306 -0.172 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.924 0.895 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.583 1.532 -2.888 1.00 0.00 H new ATOM 419 N CYS B 7 5.130 5.961 -2.111 1.00 0.00 N ATOM 420 CA CYS B 7 4.721 7.380 -1.920 1.00 0.00 C ATOM 421 C CYS B 7 3.731 7.782 -3.016 1.00 0.00 C ATOM 422 O CYS B 7 4.008 7.657 -4.193 1.00 0.00 O ATOM 423 CB CYS B 7 5.957 8.278 -1.998 1.00 0.00 C ATOM 424 SG CYS B 7 6.999 7.998 -0.548 1.00 0.00 S ATOM 0 H CYS B 7 5.677 5.776 -2.952 1.00 0.00 H new ATOM 0 HA CYS B 7 4.246 7.492 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.517 8.065 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.657 9.325 -2.046 1.00 0.00 H new ATOM 429 N GLY B 8 2.580 8.266 -2.641 1.00 0.00 N ATOM 430 CA GLY B 8 1.577 8.679 -3.661 1.00 0.00 C ATOM 431 C GLY B 8 0.721 7.476 -4.060 1.00 0.00 C ATOM 432 O GLY B 8 0.406 6.627 -3.249 1.00 0.00 O ATOM 0 H GLY B 8 2.290 8.393 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.944 9.472 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.082 9.085 -4.538 1.00 0.00 H new ATOM 436 N SER B 9 0.341 7.396 -5.306 1.00 0.00 N ATOM 437 CA SER B 9 -0.498 6.253 -5.761 1.00 0.00 C ATOM 438 C SER B 9 0.345 4.976 -5.775 1.00 0.00 C ATOM 439 O SER B 9 -0.163 3.888 -5.972 1.00 0.00 O ATOM 440 CB SER B 9 -1.019 6.533 -7.168 1.00 0.00 C ATOM 441 OG SER B 9 -0.825 7.909 -7.476 1.00 0.00 O ATOM 0 H SER B 9 0.576 8.075 -6.030 1.00 0.00 H new ATOM 0 HA SER B 9 -1.340 6.126 -5.080 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.496 5.909 -7.893 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.077 6.279 -7.234 1.00 0.00 H new ATOM 0 HG SER B 9 -1.157 8.092 -8.380 1.00 0.00 H new ATOM 447 N HIS B 10 1.628 5.095 -5.573 1.00 0.00 N ATOM 448 CA HIS B 10 2.499 3.887 -5.581 1.00 0.00 C ATOM 449 C HIS B 10 2.029 2.906 -4.503 1.00 0.00 C ATOM 450 O HIS B 10 2.140 1.706 -4.655 1.00 0.00 O ATOM 451 CB HIS B 10 3.947 4.301 -5.306 1.00 0.00 C ATOM 452 CG HIS B 10 4.668 4.494 -6.610 1.00 0.00 C ATOM 453 ND1 HIS B 10 5.245 5.705 -6.966 1.00 0.00 N ATOM 454 CD2 HIS B 10 4.916 3.640 -7.656 1.00 0.00 C ATOM 455 CE1 HIS B 10 5.808 5.545 -8.178 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.637 4.305 -8.644 1.00 0.00 N ATOM 0 H HIS B 10 2.111 5.977 -5.403 1.00 0.00 H new ATOM 0 HA HIS B 10 2.440 3.403 -6.556 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.969 5.224 -4.726 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.448 3.538 -4.710 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.600 2.609 -7.705 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.334 6.324 -8.709 1.00 0.00 H new ATOM 0 HE2 HIS B 10 5.964 3.927 -9.533 1.00 0.00 H new ATOM 464 N LEU B 11 1.500 3.404 -3.416 1.00 0.00 N ATOM 465 CA LEU B 11 1.018 2.494 -2.335 1.00 0.00 C ATOM 466 C LEU B 11 -0.249 1.781 -2.803 1.00 0.00 C ATOM 467 O LEU B 11 -0.472 0.627 -2.497 1.00 0.00 O ATOM 468 CB LEU B 11 0.710 3.303 -1.074 1.00 0.00 C ATOM 469 CG LEU B 11 1.115 2.501 0.165 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.627 3.456 1.245 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.098 1.728 0.698 1.00 0.00 C ATOM 0 H LEU B 11 1.381 4.400 -3.230 1.00 0.00 H new ATOM 0 HA LEU B 11 1.792 1.760 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.248 4.251 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.353 3.541 -1.034 1.00 0.00 H new ATOM 0 HG LEU B 11 1.903 1.797 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.916 2.886 2.128 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.491 4.003 0.867 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.839 4.161 1.510 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.193 1.158 1.580 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.888 2.430 0.964 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.462 1.046 -0.071 1.00 0.00 H new ATOM 483 N VAL B 12 -1.082 2.459 -3.543 1.00 0.00 N ATOM 484 CA VAL B 12 -2.333 1.816 -4.030 1.00 0.00 C ATOM 485 C VAL B 12 -1.967 0.661 -4.964 1.00 0.00 C ATOM 486 O VAL B 12 -2.692 -0.307 -5.086 1.00 0.00 O ATOM 487 CB VAL B 12 -3.177 2.845 -4.783 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.268 2.129 -5.583 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.829 3.797 -3.777 1.00 0.00 C ATOM 0 H VAL B 12 -0.950 3.429 -3.831 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.907 1.435 -3.186 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.540 3.409 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.868 2.864 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.807 1.447 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.907 1.565 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.432 4.532 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.466 3.229 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.055 4.308 -3.205 1.00 0.00 H new ATOM 499 N GLU B 13 -0.842 0.753 -5.619 1.00 0.00 N ATOM 500 CA GLU B 13 -0.425 -0.340 -6.539 1.00 0.00 C ATOM 501 C GLU B 13 -0.032 -1.565 -5.714 1.00 0.00 C ATOM 502 O GLU B 13 -0.053 -2.682 -6.192 1.00 0.00 O ATOM 503 CB GLU B 13 0.771 0.120 -7.377 1.00 0.00 C ATOM 504 CG GLU B 13 0.292 1.084 -8.464 1.00 0.00 C ATOM 505 CD GLU B 13 -0.233 0.287 -9.660 1.00 0.00 C ATOM 506 OE1 GLU B 13 -0.256 -0.930 -9.571 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.603 0.906 -10.643 1.00 0.00 O ATOM 0 H GLU B 13 -0.194 1.538 -5.556 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.250 -0.594 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.508 0.610 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.263 -0.740 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.493 1.730 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.111 1.732 -8.777 1.00 0.00 H new ATOM 514 N ALA B 14 0.317 -1.366 -4.471 1.00 0.00 N ATOM 515 CA ALA B 14 0.699 -2.521 -3.613 1.00 0.00 C ATOM 516 C ALA B 14 -0.503 -2.915 -2.752 1.00 0.00 C ATOM 517 O ALA B 14 -0.539 -3.976 -2.163 1.00 0.00 O ATOM 518 CB ALA B 14 1.870 -2.128 -2.713 1.00 0.00 C ATOM 0 H ALA B 14 0.354 -0.454 -4.015 1.00 0.00 H new ATOM 0 HA ALA B 14 0.999 -3.363 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.147 -2.975 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.721 -1.838 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.578 -1.289 -2.081 1.00 0.00 H new ATOM 524 N LEU B 15 -1.491 -2.062 -2.681 1.00 0.00 N ATOM 525 CA LEU B 15 -2.696 -2.379 -1.865 1.00 0.00 C ATOM 526 C LEU B 15 -3.612 -3.318 -2.656 1.00 0.00 C ATOM 527 O LEU B 15 -4.043 -4.341 -2.162 1.00 0.00 O ATOM 528 CB LEU B 15 -3.447 -1.086 -1.540 1.00 0.00 C ATOM 529 CG LEU B 15 -2.661 -0.290 -0.496 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.302 1.086 -0.315 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.682 -1.041 0.838 1.00 0.00 C ATOM 0 H LEU B 15 -1.514 -1.159 -3.154 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.391 -2.863 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.578 -0.491 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.444 -1.316 -1.163 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.631 -0.170 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.742 1.653 0.429 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.289 1.621 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.332 0.966 0.020 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.122 -0.475 1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.713 -1.161 1.172 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.226 -2.023 0.710 1.00 0.00 H new ATOM 543 N HIS B 16 -3.909 -2.980 -3.884 1.00 0.00 N ATOM 544 CA HIS B 16 -4.792 -3.856 -4.705 1.00 0.00 C ATOM 545 C HIS B 16 -4.101 -5.207 -4.922 1.00 0.00 C ATOM 546 O HIS B 16 -4.736 -6.238 -4.999 1.00 0.00 O ATOM 547 CB HIS B 16 -5.063 -3.183 -6.061 1.00 0.00 C ATOM 548 CG HIS B 16 -3.884 -3.367 -6.977 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.568 -3.013 -6.851 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -3.993 -3.989 -8.214 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.863 -3.403 -7.985 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.768 -3.986 -8.774 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.578 -2.136 -4.352 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.739 -4.013 -4.189 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.956 -3.611 -6.516 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.257 -2.120 -5.915 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.893 -4.399 -8.647 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.811 -3.264 -8.184 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.557 -4.381 -9.690 1.00 0.00 H new ATOM 560 N LEU B 17 -2.800 -5.198 -5.020 1.00 0.00 N ATOM 561 CA LEU B 17 -2.057 -6.472 -5.230 1.00 0.00 C ATOM 562 C LEU B 17 -2.314 -7.409 -4.049 1.00 0.00 C ATOM 563 O LEU B 17 -2.193 -8.614 -4.161 1.00 0.00 O ATOM 564 CB LEU B 17 -0.561 -6.164 -5.329 1.00 0.00 C ATOM 565 CG LEU B 17 0.214 -7.457 -5.584 1.00 0.00 C ATOM 566 CD1 LEU B 17 -0.232 -8.066 -6.915 1.00 0.00 C ATOM 567 CD2 LEU B 17 1.710 -7.144 -5.647 1.00 0.00 C ATOM 0 H LEU B 17 -2.219 -4.362 -4.964 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.393 -6.952 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.378 -5.454 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.214 -5.696 -4.408 1.00 0.00 H new ATOM 0 HG LEU B 17 0.019 -8.164 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.321 -8.988 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.299 -8.284 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.036 -7.360 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.267 -8.063 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.900 -6.439 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.030 -6.707 -4.701 1.00 0.00 H new ATOM 579 N VAL B 18 -2.674 -6.867 -2.918 1.00 0.00 N ATOM 580 CA VAL B 18 -2.943 -7.724 -1.730 1.00 0.00 C ATOM 581 C VAL B 18 -4.357 -8.297 -1.829 1.00 0.00 C ATOM 582 O VAL B 18 -4.561 -9.493 -1.746 1.00 0.00 O ATOM 583 CB VAL B 18 -2.818 -6.886 -0.458 1.00 0.00 C ATOM 584 CG1 VAL B 18 -3.323 -7.695 0.738 1.00 0.00 C ATOM 585 CG2 VAL B 18 -1.351 -6.518 -0.237 1.00 0.00 C ATOM 0 H VAL B 18 -2.794 -5.866 -2.766 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.221 -8.540 -1.697 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.413 -5.978 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -3.234 -7.097 1.645 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.368 -7.963 0.581 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -2.728 -8.602 0.841 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -1.258 -5.920 0.670 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.759 -7.428 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.988 -5.943 -1.089 1.00 0.00 H new ATOM 595 N CYS B 19 -5.336 -7.454 -2.008 1.00 0.00 N ATOM 596 CA CYS B 19 -6.735 -7.952 -2.113 1.00 0.00 C ATOM 597 C CYS B 19 -7.064 -8.255 -3.576 1.00 0.00 C ATOM 598 O CYS B 19 -7.102 -9.397 -3.991 1.00 0.00 O ATOM 599 CB CYS B 19 -7.697 -6.891 -1.590 1.00 0.00 C ATOM 600 SG CYS B 19 -8.515 -7.506 -0.098 1.00 0.00 S ATOM 0 H CYS B 19 -5.227 -6.443 -2.086 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.837 -8.861 -1.520 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.156 -5.971 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.439 -6.649 -2.351 1.00 0.00 H new ATOM 605 N GLY B 20 -7.307 -7.241 -4.359 1.00 0.00 N ATOM 606 CA GLY B 20 -7.638 -7.471 -5.794 1.00 0.00 C ATOM 607 C GLY B 20 -9.149 -7.340 -5.990 1.00 0.00 C ATOM 608 O GLY B 20 -9.729 -6.301 -5.743 1.00 0.00 O ATOM 0 H GLY B 20 -7.291 -6.264 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.114 -6.749 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.304 -8.462 -6.102 1.00 0.00 H new ATOM 612 N GLU B 21 -9.791 -8.387 -6.430 1.00 0.00 N ATOM 613 CA GLU B 21 -11.264 -8.319 -6.639 1.00 0.00 C ATOM 614 C GLU B 21 -11.942 -7.869 -5.341 1.00 0.00 C ATOM 615 O GLU B 21 -12.936 -7.173 -5.360 1.00 0.00 O ATOM 616 CB GLU B 21 -11.787 -9.700 -7.039 1.00 0.00 C ATOM 617 CG GLU B 21 -12.534 -9.597 -8.369 1.00 0.00 C ATOM 618 CD GLU B 21 -13.125 -10.961 -8.733 1.00 0.00 C ATOM 619 OE1 GLU B 21 -13.734 -11.571 -7.869 1.00 0.00 O ATOM 620 OE2 GLU B 21 -12.960 -11.372 -9.869 1.00 0.00 O ATOM 0 H GLU B 21 -9.360 -9.284 -6.653 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.487 -7.605 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -10.958 -10.402 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.451 -10.087 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -13.328 -8.854 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -11.856 -9.262 -9.154 1.00 0.00 H new ATOM 627 N ARG B 22 -11.409 -8.260 -4.216 1.00 0.00 N ATOM 628 CA ARG B 22 -12.024 -7.850 -2.921 1.00 0.00 C ATOM 629 C ARG B 22 -12.056 -6.324 -2.838 1.00 0.00 C ATOM 630 O ARG B 22 -13.011 -5.736 -2.366 1.00 0.00 O ATOM 631 CB ARG B 22 -11.200 -8.406 -1.762 1.00 0.00 C ATOM 632 CG ARG B 22 -11.614 -9.854 -1.488 1.00 0.00 C ATOM 633 CD ARG B 22 -11.651 -10.100 0.021 1.00 0.00 C ATOM 634 NE ARG B 22 -12.484 -11.302 0.309 1.00 0.00 N ATOM 635 CZ ARG B 22 -12.428 -11.878 1.480 1.00 0.00 C ATOM 636 NH1 ARG B 22 -11.641 -11.401 2.409 1.00 0.00 N ATOM 637 NH2 ARG B 22 -13.158 -12.932 1.725 1.00 0.00 N ATOM 0 H ARG B 22 -10.577 -8.844 -4.137 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.039 -8.242 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.138 -8.360 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.352 -7.798 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -12.594 -10.051 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.911 -10.540 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.640 -10.246 0.401 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -12.061 -9.229 0.532 1.00 0.00 H new ATOM 0 HE ARG B 22 -13.101 -11.677 -0.412 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.069 -10.578 2.220 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.599 -11.852 3.323 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.772 -13.306 1.002 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.114 -13.382 2.640 1.00 0.00 H new ATOM 651 N GLY B 23 -11.020 -5.675 -3.295 1.00 0.00 N ATOM 652 CA GLY B 23 -10.992 -4.186 -3.245 1.00 0.00 C ATOM 653 C GLY B 23 -10.433 -3.729 -1.897 1.00 0.00 C ATOM 654 O GLY B 23 -10.539 -4.418 -0.903 1.00 0.00 O ATOM 0 H GLY B 23 -10.192 -6.111 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.377 -3.796 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.997 -3.788 -3.387 1.00 0.00 H new ATOM 658 N PHE B 24 -9.839 -2.568 -1.857 1.00 0.00 N ATOM 659 CA PHE B 24 -9.272 -2.063 -0.575 1.00 0.00 C ATOM 660 C PHE B 24 -9.721 -0.615 -0.362 1.00 0.00 C ATOM 661 O PHE B 24 -10.033 0.092 -1.298 1.00 0.00 O ATOM 662 CB PHE B 24 -7.745 -2.126 -0.634 1.00 0.00 C ATOM 663 CG PHE B 24 -7.272 -1.553 -1.943 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.411 -2.304 -3.110 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.701 -0.275 -1.994 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.978 -1.784 -4.335 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.269 0.248 -3.217 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.406 -0.506 -4.388 1.00 0.00 C ATOM 0 H PHE B 24 -9.722 -1.947 -2.658 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.625 -2.679 0.252 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.314 -1.567 0.197 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.408 -3.158 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.853 -3.288 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.594 0.306 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.085 -2.367 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.830 1.234 -3.258 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.071 -0.103 -5.332 1.00 0.00 H new ATOM 678 N PHE B 25 -9.752 -0.170 0.863 1.00 0.00 N ATOM 679 CA PHE B 25 -10.182 1.233 1.132 1.00 0.00 C ATOM 680 C PHE B 25 -8.956 2.097 1.431 1.00 0.00 C ATOM 681 O PHE B 25 -8.739 2.523 2.546 1.00 0.00 O ATOM 682 CB PHE B 25 -11.153 1.266 2.320 1.00 0.00 C ATOM 683 CG PHE B 25 -10.480 0.738 3.568 1.00 0.00 C ATOM 684 CD1 PHE B 25 -10.309 -0.641 3.745 1.00 0.00 C ATOM 685 CD2 PHE B 25 -10.034 1.628 4.550 1.00 0.00 C ATOM 686 CE1 PHE B 25 -9.690 -1.127 4.902 1.00 0.00 C ATOM 687 CE2 PHE B 25 -9.415 1.143 5.709 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.243 -0.236 5.884 1.00 0.00 C ATOM 0 H PHE B 25 -9.499 -0.714 1.688 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.691 1.627 0.253 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.496 2.287 2.489 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.035 0.667 2.094 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.655 -1.329 2.988 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.167 2.691 4.415 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.557 -2.190 5.037 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.071 1.831 6.467 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.765 -0.612 6.777 1.00 0.00 H new ATOM 698 N TYR B 26 -8.152 2.365 0.437 1.00 0.00 N ATOM 699 CA TYR B 26 -6.944 3.205 0.662 1.00 0.00 C ATOM 700 C TYR B 26 -7.382 4.646 0.939 1.00 0.00 C ATOM 701 O TYR B 26 -8.540 4.987 0.803 1.00 0.00 O ATOM 702 CB TYR B 26 -6.058 3.163 -0.587 1.00 0.00 C ATOM 703 CG TYR B 26 -4.757 3.889 -0.322 1.00 0.00 C ATOM 704 CD1 TYR B 26 -3.988 3.571 0.806 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.318 4.880 -1.209 1.00 0.00 C ATOM 706 CE1 TYR B 26 -2.784 4.245 1.043 1.00 0.00 C ATOM 707 CE2 TYR B 26 -3.116 5.553 -0.970 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.348 5.236 0.156 1.00 0.00 C ATOM 709 OH TYR B 26 -1.161 5.899 0.391 1.00 0.00 O ATOM 0 H TYR B 26 -8.281 2.038 -0.520 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.380 2.826 1.515 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.857 2.129 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.577 3.624 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.324 2.807 1.491 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.909 5.125 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.191 4.000 1.912 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.780 6.318 -1.655 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.006 6.554 -0.321 1.00 0.00 H new ATOM 719 N THR B 27 -6.469 5.497 1.323 1.00 0.00 N ATOM 720 CA THR B 27 -6.841 6.914 1.599 1.00 0.00 C ATOM 721 C THR B 27 -5.924 7.848 0.804 1.00 0.00 C ATOM 722 O THR B 27 -5.233 8.670 1.372 1.00 0.00 O ATOM 723 CB THR B 27 -6.692 7.200 3.094 1.00 0.00 C ATOM 724 OG1 THR B 27 -6.487 5.978 3.792 1.00 0.00 O ATOM 725 CG2 THR B 27 -7.958 7.883 3.616 1.00 0.00 C ATOM 0 H THR B 27 -5.483 5.272 1.457 1.00 0.00 H new ATOM 0 HA THR B 27 -7.876 7.082 1.300 1.00 0.00 H new ATOM 0 HB THR B 27 -5.837 7.857 3.253 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.390 6.161 4.750 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.849 8.086 4.681 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.112 8.821 3.082 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.816 7.230 3.457 1.00 0.00 H new ATOM 733 N PRO B 28 -5.949 7.689 -0.495 1.00 0.00 N ATOM 734 CA PRO B 28 -5.133 8.496 -1.432 1.00 0.00 C ATOM 735 C PRO B 28 -5.475 9.980 -1.289 1.00 0.00 C ATOM 736 O PRO B 28 -6.184 10.379 -0.386 1.00 0.00 O ATOM 737 CB PRO B 28 -5.495 8.004 -2.838 1.00 0.00 C ATOM 738 CG PRO B 28 -6.555 6.895 -2.684 1.00 0.00 C ATOM 739 CD PRO B 28 -6.793 6.686 -1.185 1.00 0.00 C ATOM 0 HA PRO B 28 -4.068 8.386 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.883 8.824 -3.443 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.612 7.621 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.482 7.179 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -6.213 5.971 -3.150 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.845 6.822 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.522 5.674 -0.884 1.00 0.00 H new ATOM 747 N LYS B 29 -4.979 10.800 -2.175 1.00 0.00 N ATOM 748 CA LYS B 29 -5.275 12.257 -2.090 1.00 0.00 C ATOM 749 C LYS B 29 -5.929 12.719 -3.394 1.00 0.00 C ATOM 750 O LYS B 29 -5.988 13.898 -3.687 1.00 0.00 O ATOM 751 CB LYS B 29 -3.975 13.032 -1.867 1.00 0.00 C ATOM 752 CG LYS B 29 -3.887 13.465 -0.403 1.00 0.00 C ATOM 753 CD LYS B 29 -5.083 14.357 -0.061 1.00 0.00 C ATOM 754 CE LYS B 29 -6.084 13.568 0.785 1.00 0.00 C ATOM 755 NZ LYS B 29 -7.450 13.717 0.204 1.00 0.00 N ATOM 0 H LYS B 29 -4.382 10.523 -2.954 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.953 12.442 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.119 12.409 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -3.943 13.905 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -3.876 12.589 0.246 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -2.956 14.004 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -4.748 15.240 0.483 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -5.561 14.708 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -5.802 12.515 0.814 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -6.073 13.930 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.007 12.862 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -7.919 14.543 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -7.377 13.850 -0.825 1.00 0.00 H new ATOM 769 N THR B 30 -6.421 11.802 -4.181 1.00 0.00 N ATOM 770 CA THR B 30 -7.071 12.187 -5.464 1.00 0.00 C ATOM 771 C THR B 30 -8.589 12.235 -5.274 1.00 0.00 C ATOM 772 O THR B 30 -9.019 12.384 -4.144 1.00 0.00 O ATOM 773 CB THR B 30 -6.725 11.154 -6.541 1.00 0.00 C ATOM 774 OG1 THR B 30 -7.405 11.481 -7.744 1.00 0.00 O ATOM 775 CG2 THR B 30 -7.154 9.762 -6.071 1.00 0.00 C ATOM 776 OXT THR B 30 -9.294 12.120 -6.264 1.00 0.00 O ATOM 0 H THR B 30 -6.400 10.800 -3.990 1.00 0.00 H new ATOM 0 HA THR B 30 -6.712 13.169 -5.772 1.00 0.00 H new ATOM 0 HB THR B 30 -5.650 11.159 -6.719 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.368 11.532 -7.572 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.908 9.027 -6.838 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.631 9.512 -5.148 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.229 9.754 -5.893 1.00 0.00 H new TER 784 THR B 30