USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 5 GLN :FLIP amide:sc= 0.463 F(o=0.49,f=1.2) USER MOD Set 1.2: A 19 TYR OH : rot 42:sc= 0.75 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.242 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.669 K(o=0.67,f=-5!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0243 F(o=-0.78,f=-0.024) USER MOD Single : A 21 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.5!) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.00421 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=-0.00377 K(o=-0.0038,f=-3!) USER MOD Single : B 4 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : B 5 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 36:sc= 0.102 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 37:sc= 0.535 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.714 0.919 0.704 1.00 25.00 N ATOM 2 CA GLY A 1 2.500 0.101 -0.274 1.00 25.00 C ATOM 3 C GLY A 1 1.842 0.107 -1.645 1.00 25.00 C ATOM 4 O GLY A 1 1.077 0.963 -1.956 1.00 25.00 O ATOM 0 H1 GLY A 1 2.185 0.898 1.631 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.656 1.901 0.367 1.00 25.00 H new ATOM 0 H3 GLY A 1 0.755 0.526 0.794 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.513 0.495 -0.352 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.584 -0.924 0.088 1.00 25.00 H new ATOM 9 N ILE A 2 2.092 -0.937 -2.460 1.00 25.00 N ATOM 10 CA ILE A 2 1.444 -1.047 -3.771 1.00 25.00 C ATOM 11 C ILE A 2 -0.069 -0.958 -3.646 1.00 25.00 C ATOM 12 O ILE A 2 -0.744 -0.240 -4.398 1.00 25.00 O ATOM 13 CB ILE A 2 1.796 -2.406 -4.464 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.326 -2.571 -4.554 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.163 -2.472 -5.892 1.00 25.00 C ATOM 16 CD1 ILE A 2 3.766 -3.985 -5.115 1.00 25.00 C ATOM 0 H ILE A 2 2.728 -1.702 -2.234 1.00 25.00 H new ATOM 0 HA ILE A 2 1.815 -0.218 -4.373 1.00 25.00 H new ATOM 0 HB ILE A 2 1.386 -3.219 -3.865 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.733 -1.789 -5.196 1.00 25.00 H new ATOM 0 HG13 ILE A 2 3.760 -2.428 -3.564 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.418 -3.423 -6.359 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.079 -2.385 -5.814 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.550 -1.654 -6.500 1.00 25.00 H new ATOM 0 HD11 ILE A 2 4.854 -4.038 -5.154 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.387 -4.770 -4.460 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.360 -4.121 -6.117 1.00 25.00 H new ATOM 28 N VAL A 3 -0.619 -1.607 -2.665 1.00 25.00 N ATOM 29 CA VAL A 3 -2.068 -1.581 -2.496 1.00 25.00 C ATOM 30 C VAL A 3 -2.579 -0.149 -2.172 1.00 25.00 C ATOM 31 O VAL A 3 -3.557 0.284 -2.752 1.00 25.00 O ATOM 32 CB VAL A 3 -2.584 -2.621 -1.447 1.00 25.00 C ATOM 33 CG1 VAL A 3 -2.210 -4.083 -1.846 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.011 -2.302 -0.047 1.00 25.00 C ATOM 0 H VAL A 3 -0.110 -2.157 -1.972 1.00 25.00 H new ATOM 0 HA VAL A 3 -2.489 -1.881 -3.456 1.00 25.00 H new ATOM 0 HB VAL A 3 -3.671 -2.545 -1.423 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -2.587 -4.774 -1.092 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.656 -4.322 -2.812 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.126 -4.176 -1.914 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.379 -3.034 0.672 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -0.922 -2.343 -0.082 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -2.327 -1.304 0.257 1.00 25.00 H new ATOM 44 N GLU A 4 -1.867 0.600 -1.327 1.00 25.00 N ATOM 45 CA GLU A 4 -2.298 1.978 -0.942 1.00 25.00 C ATOM 46 C GLU A 4 -1.936 2.989 -2.011 1.00 25.00 C ATOM 47 O GLU A 4 -2.545 4.077 -2.077 1.00 25.00 O ATOM 48 CB GLU A 4 -1.689 2.395 0.397 1.00 25.00 C ATOM 49 CG GLU A 4 -2.098 1.508 1.562 1.00 25.00 C ATOM 50 CD GLU A 4 -1.829 2.163 2.902 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.994 3.016 3.068 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.608 1.768 3.849 1.00 25.00 O ATOM 0 H GLU A 4 -0.997 0.295 -0.892 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.383 1.957 -0.840 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.603 2.385 0.310 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.982 3.422 0.614 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.159 1.272 1.481 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.556 0.564 1.506 1.00 25.00 H new ATOM 60 N GLN A 5 -0.995 2.652 -2.871 1.00 25.00 N ATOM 61 CA GLN A 5 -0.625 3.550 -3.988 1.00 25.00 C ATOM 62 C GLN A 5 -1.445 3.346 -5.294 1.00 25.00 C ATOM 63 O GLN A 5 -1.770 4.309 -5.977 1.00 25.00 O ATOM 64 CB GLN A 5 0.851 3.346 -4.326 1.00 25.00 C ATOM 65 CG GLN A 5 1.382 4.503 -5.138 1.00 25.00 C ATOM 66 CD GLN A 5 2.895 4.638 -4.997 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.338 5.595 -4.204 1.00 25.00 O flip ATOM 68 NE2 GLN A 5 3.631 3.922 -5.596 1.00 25.00 N flip ATOM 0 H GLN A 5 -0.469 1.779 -2.834 1.00 25.00 H new ATOM 0 HA GLN A 5 -0.843 4.557 -3.634 1.00 25.00 H new ATOM 0 HB2 GLN A 5 1.428 3.246 -3.407 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.976 2.418 -4.883 1.00 25.00 H new ATOM 0 HG2 GLN A 5 1.125 4.360 -6.188 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.902 5.426 -4.815 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.253 3.192 -6.200 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.640 4.037 -5.506 1.00 25.00 H new ATOM 77 N CYS A 6 -1.829 2.102 -5.590 1.00 25.00 N ATOM 78 CA CYS A 6 -2.528 1.790 -6.828 1.00 25.00 C ATOM 79 C CYS A 6 -3.950 1.260 -6.736 1.00 25.00 C ATOM 80 O CYS A 6 -4.713 1.287 -7.720 1.00 25.00 O ATOM 81 CB CYS A 6 -1.716 0.788 -7.697 1.00 25.00 C ATOM 82 SG CYS A 6 -0.772 1.557 -9.044 1.00 25.00 S ATOM 0 H CYS A 6 -1.665 1.297 -4.985 1.00 25.00 H new ATOM 0 HA CYS A 6 -2.613 2.780 -7.276 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.027 0.242 -7.052 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.402 0.056 -8.123 1.00 25.00 H new ATOM 87 N CYS A 7 -4.324 0.694 -5.593 1.00 25.00 N ATOM 88 CA CYS A 7 -5.665 0.086 -5.493 1.00 25.00 C ATOM 89 C CYS A 7 -6.679 1.074 -4.956 1.00 25.00 C ATOM 90 O CYS A 7 -7.885 0.851 -5.022 1.00 25.00 O ATOM 91 CB CYS A 7 -5.632 -1.216 -4.714 1.00 25.00 C ATOM 92 SG CYS A 7 -4.277 -2.253 -5.320 1.00 25.00 S ATOM 0 H CYS A 7 -3.752 0.639 -4.750 1.00 25.00 H new ATOM 0 HA CYS A 7 -5.993 -0.174 -6.499 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.500 -1.012 -3.651 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.581 -1.741 -4.823 1.00 25.00 H new ATOM 97 N THR A 8 -6.165 2.208 -4.486 1.00 25.00 N ATOM 98 CA THR A 8 -6.994 3.398 -4.203 1.00 25.00 C ATOM 99 C THR A 8 -7.312 4.014 -5.552 1.00 25.00 C ATOM 100 O THR A 8 -6.461 4.081 -6.434 1.00 25.00 O ATOM 101 CB THR A 8 -6.220 4.446 -3.311 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.058 5.571 -3.036 1.00 25.00 O ATOM 103 CG2 THR A 8 -4.986 4.977 -4.000 1.00 25.00 C ATOM 0 H THR A 8 -5.173 2.337 -4.289 1.00 25.00 H new ATOM 0 HA THR A 8 -7.892 3.116 -3.653 1.00 25.00 H new ATOM 0 HB THR A 8 -5.935 3.923 -2.398 1.00 25.00 H new ATOM 0 HG1 THR A 8 -6.570 6.215 -2.481 1.00 25.00 H new ATOM 0 HG21 THR A 8 -4.486 5.694 -3.349 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.308 4.152 -4.219 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.272 5.469 -4.930 1.00 25.00 H new ATOM 111 N SER A 9 -8.580 4.393 -5.751 1.00 25.00 N ATOM 112 CA SER A 9 -9.029 4.931 -7.066 1.00 25.00 C ATOM 113 C SER A 9 -8.647 3.951 -8.226 1.00 25.00 C ATOM 114 O SER A 9 -8.672 2.727 -8.036 1.00 25.00 O ATOM 115 CB SER A 9 -8.420 6.335 -7.283 1.00 25.00 C ATOM 116 OG SER A 9 -8.959 7.021 -8.407 1.00 25.00 O ATOM 0 H SER A 9 -9.310 4.344 -5.041 1.00 25.00 H new ATOM 0 HA SER A 9 -10.115 5.022 -7.068 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.584 6.935 -6.388 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.342 6.239 -7.409 1.00 25.00 H new ATOM 0 HG SER A 9 -8.535 7.901 -8.488 1.00 25.00 H new ATOM 122 N ILE A 10 -8.290 4.451 -9.394 1.00 25.00 N ATOM 123 CA ILE A 10 -7.923 3.623 -10.549 1.00 25.00 C ATOM 124 C ILE A 10 -6.485 3.919 -10.920 1.00 25.00 C ATOM 125 O ILE A 10 -6.098 5.077 -10.952 1.00 25.00 O ATOM 126 CB ILE A 10 -8.824 3.908 -11.756 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.329 3.648 -11.432 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.344 3.037 -12.950 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.705 2.205 -10.920 1.00 25.00 C ATOM 0 H ILE A 10 -8.243 5.453 -9.579 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.047 2.575 -10.277 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.746 4.963 -12.018 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.644 4.369 -10.678 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.911 3.852 -12.331 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.976 3.229 -13.817 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.311 3.288 -13.191 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.408 1.983 -12.680 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.777 2.154 -10.731 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.434 1.468 -11.677 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.164 1.994 -9.998 1.00 25.00 H new ATOM 141 N CYS A 11 -5.652 2.917 -11.032 1.00 25.00 N ATOM 142 CA CYS A 11 -4.235 3.159 -11.300 1.00 25.00 C ATOM 143 C CYS A 11 -3.920 3.167 -12.807 1.00 25.00 C ATOM 144 O CYS A 11 -4.282 2.249 -13.567 1.00 25.00 O ATOM 145 CB CYS A 11 -3.351 2.185 -10.574 1.00 25.00 C ATOM 146 SG CYS A 11 -1.983 3.037 -9.687 1.00 25.00 S ATOM 0 H CYS A 11 -5.913 1.935 -10.945 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.018 4.155 -10.915 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.947 1.614 -9.862 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.935 1.472 -11.285 1.00 25.00 H new ATOM 151 N SER A 12 -3.268 4.210 -13.249 1.00 25.00 N ATOM 152 CA SER A 12 -2.885 4.308 -14.671 1.00 25.00 C ATOM 153 C SER A 12 -1.648 3.474 -14.968 1.00 25.00 C ATOM 154 O SER A 12 -0.770 3.330 -14.141 1.00 25.00 O ATOM 155 CB SER A 12 -2.659 5.754 -15.028 1.00 25.00 C ATOM 156 OG SER A 12 -3.899 6.418 -15.214 1.00 25.00 O ATOM 0 H SER A 12 -2.985 5.002 -12.672 1.00 25.00 H new ATOM 0 HA SER A 12 -3.695 3.911 -15.283 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.091 6.246 -14.238 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.063 5.821 -15.938 1.00 25.00 H new ATOM 0 HG SER A 12 -3.736 7.357 -15.444 1.00 25.00 H new ATOM 162 N LEU A 13 -1.479 3.038 -16.222 1.00 25.00 N ATOM 163 CA LEU A 13 -0.318 2.320 -16.742 1.00 25.00 C ATOM 164 C LEU A 13 0.917 3.181 -16.618 1.00 25.00 C ATOM 165 O LEU A 13 2.131 2.648 -16.275 1.00 25.00 O ATOM 166 CB LEU A 13 -0.500 1.978 -18.240 1.00 25.00 C ATOM 167 CG LEU A 13 -1.543 0.838 -18.416 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.088 0.795 -19.838 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.839 -0.474 -18.089 1.00 25.00 C ATOM 0 H LEU A 13 -2.190 3.187 -16.938 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.214 1.402 -16.163 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.826 2.864 -18.784 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.455 1.674 -18.668 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.391 1.009 -17.753 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.814 -0.013 -19.925 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.571 1.744 -20.071 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.269 0.624 -20.537 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.540 -1.301 -18.201 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.001 -0.616 -18.769 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.474 -0.445 -17.062 1.00 25.00 H new ATOM 181 N TYR A 14 0.836 4.515 -16.732 1.00 25.00 N ATOM 182 CA TYR A 14 1.928 5.449 -16.541 1.00 25.00 C ATOM 183 C TYR A 14 2.453 5.344 -15.115 1.00 25.00 C ATOM 184 O TYR A 14 3.617 5.429 -14.855 1.00 25.00 O ATOM 185 CB TYR A 14 1.456 6.918 -16.756 1.00 25.00 C ATOM 186 CG TYR A 14 2.627 7.876 -16.547 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.692 7.859 -17.415 1.00 25.00 C ATOM 188 CD2 TYR A 14 2.616 8.697 -15.463 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.750 8.695 -17.241 1.00 25.00 C ATOM 190 CE2 TYR A 14 3.792 9.667 -15.175 1.00 25.00 C ATOM 191 CZ TYR A 14 4.894 9.547 -16.233 1.00 25.00 C ATOM 192 OH TYR A 14 5.952 10.286 -16.049 1.00 25.00 O ATOM 0 H TYR A 14 -0.039 4.982 -16.971 1.00 25.00 H new ATOM 0 HA TYR A 14 2.702 5.199 -17.266 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.053 7.036 -17.762 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.651 7.156 -16.060 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.689 7.171 -18.248 1.00 25.00 H new ATOM 0 HD2 TYR A 14 1.772 8.673 -14.789 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.536 8.664 -17.981 1.00 25.00 H new ATOM 0 HE2 TYR A 14 3.829 10.343 -14.333 1.00 25.00 H new ATOM 0 HH TYR A 14 5.832 10.834 -15.245 1.00 25.00 H new ATOM 202 N GLN A 15 1.556 5.075 -14.158 1.00 25.00 N ATOM 203 CA GLN A 15 1.947 4.969 -12.734 1.00 25.00 C ATOM 204 C GLN A 15 2.556 3.614 -12.531 1.00 25.00 C ATOM 205 O GLN A 15 3.524 3.478 -11.837 1.00 25.00 O ATOM 206 CB GLN A 15 0.751 5.144 -11.799 1.00 25.00 C ATOM 207 CG GLN A 15 0.128 6.487 -11.826 1.00 25.00 C ATOM 208 CD GLN A 15 -1.147 6.505 -11.041 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.246 6.400 -11.580 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.001 6.609 -9.713 1.00 25.00 N ATOM 0 H GLN A 15 0.562 4.927 -14.334 1.00 25.00 H new ATOM 0 HA GLN A 15 2.655 5.763 -12.497 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.006 4.404 -12.059 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.071 4.929 -10.780 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.821 7.221 -11.416 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.072 6.778 -12.857 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.069 6.694 -9.308 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -1.822 6.603 -9.108 1.00 25.00 H new ATOM 219 N LEU A 16 2.001 2.601 -13.176 1.00 25.00 N ATOM 220 CA LEU A 16 2.558 1.259 -13.111 1.00 25.00 C ATOM 221 C LEU A 16 4.019 1.167 -13.574 1.00 25.00 C ATOM 222 O LEU A 16 4.745 0.331 -13.093 1.00 25.00 O ATOM 223 CB LEU A 16 1.674 0.323 -13.938 1.00 25.00 C ATOM 224 CG LEU A 16 0.823 -0.641 -13.095 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.256 0.092 -12.290 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.238 -1.603 -14.056 1.00 25.00 C ATOM 0 H LEU A 16 1.163 2.683 -13.752 1.00 25.00 H new ATOM 0 HA LEU A 16 2.569 0.962 -12.062 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.013 0.923 -14.563 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.306 -0.259 -14.609 1.00 25.00 H new ATOM 0 HG LEU A 16 1.431 -1.148 -12.346 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.831 -0.630 -11.711 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.216 0.806 -11.615 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.921 0.623 -12.972 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.382 -2.321 -13.520 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -0.373 -1.066 -14.782 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.038 -2.131 -14.575 1.00 25.00 H new ATOM 238 N GLU A 17 4.448 2.074 -14.481 1.00 25.00 N ATOM 239 CA GLU A 17 5.842 2.123 -14.906 1.00 25.00 C ATOM 240 C GLU A 17 6.779 2.476 -13.758 1.00 25.00 C ATOM 241 O GLU A 17 7.959 2.154 -13.787 1.00 25.00 O ATOM 242 CB GLU A 17 6.098 3.159 -15.998 1.00 25.00 C ATOM 243 CG GLU A 17 5.350 2.891 -17.281 1.00 25.00 C ATOM 244 CD GLU A 17 5.407 4.027 -18.278 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.264 5.188 -17.991 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.645 3.623 -19.472 1.00 25.00 O ATOM 0 H GLU A 17 3.846 2.770 -14.922 1.00 25.00 H new ATOM 0 HA GLU A 17 6.040 1.120 -15.283 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.818 4.144 -15.624 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.166 3.191 -16.211 1.00 25.00 H new ATOM 0 HG2 GLU A 17 5.757 1.993 -17.746 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.307 2.682 -17.044 1.00 25.00 H new ATOM 254 N ASN A 18 6.299 3.203 -12.777 1.00 25.00 N ATOM 255 CA ASN A 18 7.137 3.601 -11.648 1.00 25.00 C ATOM 256 C ASN A 18 7.529 2.374 -10.844 1.00 25.00 C ATOM 257 O ASN A 18 8.511 2.408 -10.130 1.00 25.00 O ATOM 258 CB ASN A 18 6.390 4.540 -10.677 1.00 25.00 C ATOM 259 CG ASN A 18 5.824 5.726 -11.347 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.479 6.198 -12.384 1.00 25.00 O flip ATOM 261 ND2 ASN A 18 4.776 6.254 -10.934 1.00 25.00 N flip ATOM 0 H ASN A 18 5.336 3.535 -12.729 1.00 25.00 H new ATOM 0 HA ASN A 18 8.004 4.113 -12.066 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.587 3.987 -10.190 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.075 4.864 -9.894 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.292 5.863 -10.126 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.401 7.078 -11.403 1.00 25.00 H new ATOM 268 N TYR A 19 6.786 1.283 -10.964 1.00 25.00 N ATOM 269 CA TYR A 19 7.121 0.049 -10.219 1.00 25.00 C ATOM 270 C TYR A 19 8.172 -0.750 -11.002 1.00 25.00 C ATOM 271 O TYR A 19 8.503 -1.856 -10.612 1.00 25.00 O ATOM 272 CB TYR A 19 5.847 -0.821 -10.025 1.00 25.00 C ATOM 273 CG TYR A 19 4.785 -0.146 -9.154 1.00 25.00 C ATOM 274 CD1 TYR A 19 3.858 0.694 -9.740 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.737 -0.334 -7.757 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.881 1.346 -9.016 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.746 0.340 -6.973 1.00 25.00 C ATOM 278 CZ TYR A 19 2.820 1.184 -7.641 1.00 25.00 C ATOM 279 OH TYR A 19 1.818 1.923 -7.042 1.00 25.00 O ATOM 0 H TYR A 19 5.958 1.213 -11.556 1.00 25.00 H new ATOM 0 HA TYR A 19 7.518 0.320 -9.241 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.417 -1.048 -11.001 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.129 -1.772 -9.572 1.00 25.00 H new ATOM 0 HD1 TYR A 19 3.900 0.847 -10.808 1.00 25.00 H new ATOM 0 HD2 TYR A 19 5.450 -0.988 -7.277 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.166 1.980 -9.519 1.00 25.00 H new ATOM 0 HE2 TYR A 19 3.704 0.210 -5.902 1.00 25.00 H new ATOM 0 HH TYR A 19 1.007 1.880 -7.590 1.00 25.00 H new ATOM 289 N CYS A 20 8.642 -0.219 -12.120 1.00 25.00 N ATOM 290 CA CYS A 20 9.685 -0.867 -12.940 1.00 25.00 C ATOM 291 C CYS A 20 10.828 0.093 -13.146 1.00 25.00 C ATOM 292 O CYS A 20 11.141 0.945 -12.296 1.00 25.00 O ATOM 293 CB CYS A 20 9.059 -1.277 -14.296 1.00 25.00 C ATOM 294 SG CYS A 20 9.955 -2.599 -15.188 1.00 25.00 S ATOM 0 H CYS A 20 8.319 0.673 -12.495 1.00 25.00 H new ATOM 0 HA CYS A 20 10.070 -1.755 -12.440 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.034 -1.606 -14.122 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.007 -0.397 -14.937 1.00 25.00 H new ATOM 299 N ASN A 21 11.529 -0.006 -14.263 1.00 25.00 N ATOM 300 CA ASN A 21 12.686 0.847 -14.634 1.00 25.00 C ATOM 301 C ASN A 21 12.401 2.354 -14.686 1.00 25.00 C ATOM 302 O ASN A 21 13.193 3.205 -14.392 1.00 25.00 O ATOM 303 CB ASN A 21 13.274 0.418 -16.029 1.00 25.00 C ATOM 304 CG ASN A 21 12.338 0.808 -17.132 1.00 25.00 C ATOM 305 OD1 ASN A 21 11.114 0.792 -17.010 1.00 25.00 O ATOM 306 ND2 ASN A 21 12.891 1.144 -18.254 1.00 25.00 N ATOM 307 OXT ASN A 21 11.157 2.665 -15.086 1.00 25.00 O ATOM 0 H ASN A 21 11.314 -0.704 -14.975 1.00 25.00 H new ATOM 0 HA ASN A 21 13.399 0.685 -13.826 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.244 0.890 -16.183 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.438 -0.660 -16.046 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.310 1.400 -19.052 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.907 1.152 -18.339 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -7.582 -4.461 -22.919 1.00 25.00 N ATOM 317 CA PHE B 1 -7.056 -4.136 -21.589 1.00 25.00 C ATOM 318 C PHE B 1 -7.857 -3.114 -20.893 1.00 25.00 C ATOM 319 O PHE B 1 -8.287 -2.176 -21.458 1.00 25.00 O ATOM 320 CB PHE B 1 -5.605 -3.666 -21.710 1.00 25.00 C ATOM 321 CG PHE B 1 -4.989 -3.387 -20.369 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.411 -4.422 -19.631 1.00 25.00 C ATOM 323 CD2 PHE B 1 -5.058 -2.109 -19.838 1.00 25.00 C ATOM 324 CE1 PHE B 1 -3.846 -4.155 -18.381 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.462 -1.825 -18.613 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.868 -2.819 -17.868 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.792 -4.597 -23.581 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.144 -5.335 -22.866 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.184 -3.682 -23.254 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.110 -5.045 -20.990 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -5.020 -4.427 -22.226 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.566 -2.764 -22.321 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.401 -5.427 -20.026 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.577 -1.330 -20.377 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.396 -4.951 -17.806 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.465 -0.811 -18.241 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.425 -2.594 -16.909 1.00 25.00 H new ATOM 337 N VAL B 2 -8.095 -3.333 -19.630 1.00 25.00 N ATOM 338 CA VAL B 2 -8.913 -2.464 -18.784 1.00 25.00 C ATOM 339 C VAL B 2 -8.120 -2.020 -17.571 1.00 25.00 C ATOM 340 O VAL B 2 -7.520 -2.800 -16.847 1.00 25.00 O ATOM 341 CB VAL B 2 -10.252 -3.198 -18.335 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.126 -2.203 -17.579 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.989 -3.775 -19.542 1.00 25.00 C ATOM 0 H VAL B 2 -7.721 -4.141 -19.132 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.191 -1.585 -19.365 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.008 -4.034 -17.680 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.048 -2.693 -17.265 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.590 -1.842 -16.701 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.366 -1.362 -18.229 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.900 -4.271 -19.209 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -11.245 -2.970 -20.231 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.348 -4.496 -20.049 1.00 25.00 H new ATOM 353 N ASN B 3 -8.113 -0.696 -17.323 1.00 25.00 N ATOM 354 CA ASN B 3 -7.465 -0.172 -16.111 1.00 25.00 C ATOM 355 C ASN B 3 -8.471 -0.286 -15.000 1.00 25.00 C ATOM 356 O ASN B 3 -9.663 -0.156 -15.236 1.00 25.00 O ATOM 357 CB ASN B 3 -7.049 1.271 -16.339 1.00 25.00 C ATOM 358 CG ASN B 3 -5.734 1.383 -17.092 1.00 25.00 C ATOM 359 OD1 ASN B 3 -4.692 0.893 -16.601 1.00 25.00 O ATOM 360 ND2 ASN B 3 -5.753 2.007 -18.261 1.00 25.00 N ATOM 0 H ASN B 3 -8.535 0.009 -17.927 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.564 -0.730 -15.858 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.830 1.787 -16.898 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.958 1.776 -15.377 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.893 2.104 -18.801 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.627 2.390 -18.620 1.00 25.00 H new ATOM 367 N GLN B 4 -8.044 -0.625 -13.817 1.00 25.00 N ATOM 368 CA GLN B 4 -8.999 -0.801 -12.705 1.00 25.00 C ATOM 369 C GLN B 4 -8.242 -0.622 -11.377 1.00 25.00 C ATOM 370 O GLN B 4 -7.152 -0.074 -11.357 1.00 25.00 O ATOM 371 CB GLN B 4 -9.637 -2.223 -12.821 1.00 25.00 C ATOM 372 CG GLN B 4 -11.030 -2.434 -12.194 1.00 25.00 C ATOM 373 CD GLN B 4 -12.074 -1.462 -12.764 1.00 25.00 C ATOM 374 OE1 GLN B 4 -12.526 -0.581 -12.069 1.00 25.00 O ATOM 375 NE2 GLN B 4 -12.504 -1.676 -13.998 1.00 25.00 N ATOM 0 H GLN B 4 -7.066 -0.787 -13.577 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.799 -0.062 -12.744 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.703 -2.476 -13.879 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -8.951 -2.937 -12.365 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -11.355 -3.459 -12.371 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -10.965 -2.302 -11.114 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -12.100 -2.428 -14.556 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.239 -1.088 -14.391 1.00 25.00 H new ATOM 384 N HIS B 5 -8.763 -1.158 -10.279 1.00 25.00 N ATOM 385 CA HIS B 5 -8.053 -1.267 -8.975 1.00 25.00 C ATOM 386 C HIS B 5 -6.999 -2.361 -9.067 1.00 25.00 C ATOM 387 O HIS B 5 -7.224 -3.491 -8.622 1.00 25.00 O ATOM 388 CB HIS B 5 -9.071 -1.676 -7.899 1.00 25.00 C ATOM 389 CG HIS B 5 -10.153 -0.669 -7.643 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.030 0.443 -6.794 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.437 -0.592 -8.136 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.181 1.109 -6.788 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.041 0.504 -7.564 1.00 25.00 N ATOM 0 H HIS B 5 -9.708 -1.541 -10.252 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.586 -0.314 -8.728 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.533 -2.618 -8.195 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.538 -1.861 -6.966 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.194 0.698 -6.268 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -11.889 -1.270 -8.845 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.375 2.012 -6.228 1.00 25.00 H new ATOM 402 N LEU B 6 -5.979 -2.099 -9.822 1.00 25.00 N ATOM 403 CA LEU B 6 -4.972 -3.121 -10.144 1.00 25.00 C ATOM 404 C LEU B 6 -4.147 -3.496 -8.917 1.00 25.00 C ATOM 405 O LEU B 6 -3.269 -2.753 -8.495 1.00 25.00 O ATOM 406 CB LEU B 6 -4.054 -2.607 -11.274 1.00 25.00 C ATOM 407 CG LEU B 6 -4.751 -2.313 -12.603 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.784 -1.570 -13.547 1.00 25.00 C ATOM 409 CD2 LEU B 6 -5.258 -3.633 -13.248 1.00 25.00 C ATOM 0 H LEU B 6 -5.801 -1.186 -10.241 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.490 -4.020 -10.479 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.561 -1.697 -10.933 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.273 -3.346 -11.449 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.615 -1.674 -12.422 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.286 -1.363 -14.492 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.476 -0.631 -13.087 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.906 -2.190 -13.730 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.752 -3.410 -14.193 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.413 -4.298 -13.428 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.965 -4.119 -12.575 1.00 25.00 H new ATOM 421 N CYS B 7 -4.480 -4.634 -8.337 1.00 25.00 N ATOM 422 CA CYS B 7 -3.850 -5.137 -7.102 1.00 25.00 C ATOM 423 C CYS B 7 -3.232 -6.510 -7.192 1.00 25.00 C ATOM 424 O CYS B 7 -2.033 -6.696 -6.961 1.00 25.00 O ATOM 425 CB CYS B 7 -4.940 -5.184 -6.040 1.00 25.00 C ATOM 426 SG CYS B 7 -4.632 -4.119 -4.582 1.00 25.00 S ATOM 0 H CYS B 7 -5.203 -5.252 -8.705 1.00 25.00 H new ATOM 0 HA CYS B 7 -3.025 -4.462 -6.877 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -5.885 -4.889 -6.495 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.056 -6.214 -5.703 1.00 25.00 H new HETATM 431 N AIB B 8 -4.117 -7.471 -7.566 1.00 25.00 N HETATM 432 CA AIB B 8 -3.899 -8.953 -7.657 1.00 25.00 C HETATM 433 C AIB B 8 -3.046 -9.366 -8.931 1.00 25.00 C HETATM 434 O AIB B 8 -2.205 -8.595 -9.397 1.00 25.00 O HETATM 435 CB1 AIB B 8 -5.355 -9.566 -7.648 1.00 25.00 C HETATM 436 CB2 AIB B 8 -3.163 -9.530 -6.368 1.00 25.00 C HETATM 0 H AIB B 8 -5.070 -7.221 -7.832 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -5.293 -10.652 -7.712 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.862 -9.285 -6.725 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.916 -9.184 -8.501 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -3.026 -10.606 -6.478 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -2.190 -9.050 -6.259 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -3.768 -9.330 -5.484 1.00 25.00 H new ATOM 444 N SER B 9 -3.278 -10.586 -9.529 1.00 25.00 N ATOM 445 CA SER B 9 -2.540 -11.064 -10.720 1.00 25.00 C ATOM 446 C SER B 9 -2.650 -10.090 -11.920 1.00 25.00 C ATOM 447 O SER B 9 -1.749 -9.917 -12.724 1.00 25.00 O ATOM 448 CB SER B 9 -3.051 -12.450 -11.108 1.00 25.00 C ATOM 449 OG SER B 9 -2.334 -13.057 -12.154 1.00 25.00 O ATOM 0 H SER B 9 -3.977 -11.247 -9.191 1.00 25.00 H new ATOM 0 HA SER B 9 -1.483 -11.115 -10.458 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.012 -13.098 -10.232 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.098 -12.370 -11.399 1.00 25.00 H new ATOM 0 HG SER B 9 -2.717 -13.939 -12.345 1.00 25.00 H new ATOM 455 N HIS B 10 -3.758 -9.349 -12.022 1.00 25.00 N ATOM 456 CA HIS B 10 -3.837 -8.324 -13.029 1.00 25.00 C ATOM 457 C HIS B 10 -2.806 -7.246 -12.918 1.00 25.00 C ATOM 458 O HIS B 10 -2.394 -6.734 -13.923 1.00 25.00 O ATOM 459 CB HIS B 10 -5.240 -7.694 -13.064 1.00 25.00 C ATOM 460 CG HIS B 10 -6.236 -8.492 -13.869 1.00 25.00 C ATOM 461 ND1 HIS B 10 -6.306 -8.447 -15.277 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.207 -9.407 -13.525 1.00 25.00 C ATOM 463 CE1 HIS B 10 -7.275 -9.242 -15.703 1.00 25.00 C ATOM 464 NE2 HIS B 10 -7.815 -9.843 -14.677 1.00 25.00 N ATOM 0 H HIS B 10 -4.583 -9.446 -11.431 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.628 -8.844 -13.964 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.609 -7.590 -12.044 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.169 -6.689 -13.481 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.449 -9.726 -12.522 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.571 -9.373 -16.733 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.569 -10.528 -14.724 1.00 25.00 H new ATOM 473 N LEU B 11 -2.425 -6.833 -11.712 1.00 25.00 N ATOM 474 CA LEU B 11 -1.416 -5.808 -11.565 1.00 25.00 C ATOM 475 C LEU B 11 -0.078 -6.327 -12.131 1.00 25.00 C ATOM 476 O LEU B 11 0.628 -5.653 -12.861 1.00 25.00 O ATOM 477 CB LEU B 11 -1.267 -5.478 -10.058 1.00 25.00 C ATOM 478 CG LEU B 11 -0.237 -4.436 -9.620 1.00 25.00 C ATOM 479 CD1 LEU B 11 1.147 -5.077 -9.522 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.236 -3.150 -10.481 1.00 25.00 C ATOM 0 H LEU B 11 -2.800 -7.193 -10.835 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.703 -4.908 -12.109 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.241 -5.148 -9.697 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.033 -6.408 -9.540 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.533 -4.093 -8.629 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.874 -4.327 -9.209 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.123 -5.886 -8.791 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.433 -5.476 -10.495 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.522 -2.462 -10.106 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.013 -3.406 -11.517 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.216 -2.675 -10.427 1.00 25.00 H new ATOM 492 N VAL B 12 0.226 -7.602 -11.796 1.00 25.00 N ATOM 493 CA VAL B 12 1.456 -8.281 -12.240 1.00 25.00 C ATOM 494 C VAL B 12 1.470 -8.361 -13.805 1.00 25.00 C ATOM 495 O VAL B 12 2.457 -8.029 -14.463 1.00 25.00 O ATOM 496 CB VAL B 12 1.519 -9.720 -11.625 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.802 -10.392 -11.996 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.380 -9.646 -10.057 1.00 25.00 C ATOM 0 H VAL B 12 -0.375 -8.184 -11.212 1.00 25.00 H new ATOM 0 HA VAL B 12 2.326 -7.717 -11.903 1.00 25.00 H new ATOM 0 HB VAL B 12 0.692 -10.305 -12.027 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.829 -11.391 -11.560 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.873 -10.467 -13.081 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.641 -9.808 -11.617 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.425 -10.652 -9.640 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.193 -9.047 -9.648 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.425 -9.188 -9.798 1.00 25.00 H new ATOM 508 N GLU B 13 0.354 -8.779 -14.372 1.00 25.00 N ATOM 509 CA GLU B 13 0.193 -8.808 -15.824 1.00 25.00 C ATOM 510 C GLU B 13 0.313 -7.437 -16.479 1.00 25.00 C ATOM 511 O GLU B 13 0.957 -7.308 -17.513 1.00 25.00 O ATOM 512 CB GLU B 13 -1.175 -9.429 -16.177 1.00 25.00 C ATOM 513 CG GLU B 13 -1.474 -9.475 -17.694 1.00 25.00 C ATOM 514 CD GLU B 13 -0.566 -10.405 -18.418 1.00 25.00 C ATOM 515 OE1 GLU B 13 -0.832 -11.562 -18.593 1.00 25.00 O ATOM 516 OE2 GLU B 13 0.561 -9.875 -18.819 1.00 25.00 O ATOM 0 H GLU B 13 -0.460 -9.105 -13.852 1.00 25.00 H new ATOM 0 HA GLU B 13 1.010 -9.413 -16.217 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.216 -10.443 -15.778 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -1.960 -8.859 -15.680 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.508 -9.784 -17.850 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -1.375 -8.474 -18.113 1.00 25.00 H new ATOM 524 N ALA B 14 -0.317 -6.410 -15.908 1.00 25.00 N ATOM 525 CA ALA B 14 -0.243 -5.092 -16.488 1.00 25.00 C ATOM 526 C ALA B 14 1.198 -4.508 -16.412 1.00 25.00 C ATOM 527 O ALA B 14 1.673 -3.875 -17.383 1.00 25.00 O ATOM 528 CB ALA B 14 -1.225 -4.181 -15.797 1.00 25.00 C ATOM 0 H ALA B 14 -0.874 -6.475 -15.056 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.502 -5.168 -17.544 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.168 -3.185 -16.236 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.234 -4.574 -15.919 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.984 -4.124 -14.736 1.00 25.00 H new ATOM 534 N LEU B 15 1.895 -4.788 -15.326 1.00 25.00 N ATOM 535 CA LEU B 15 3.265 -4.349 -15.172 1.00 25.00 C ATOM 536 C LEU B 15 4.153 -4.999 -16.227 1.00 25.00 C ATOM 537 O LEU B 15 4.982 -4.348 -16.845 1.00 25.00 O ATOM 538 CB LEU B 15 3.815 -4.740 -13.799 1.00 25.00 C ATOM 539 CG LEU B 15 4.343 -3.580 -12.958 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.656 -4.191 -11.575 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.650 -2.965 -13.543 1.00 25.00 C ATOM 0 H LEU B 15 1.531 -5.320 -14.536 1.00 25.00 H new ATOM 0 HA LEU B 15 3.270 -3.264 -15.281 1.00 25.00 H new ATOM 0 HB2 LEU B 15 3.027 -5.245 -13.240 1.00 25.00 H new ATOM 0 HB3 LEU B 15 4.619 -5.462 -13.939 1.00 25.00 H new ATOM 0 HG LEU B 15 3.608 -2.776 -12.926 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.041 -3.415 -10.913 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.745 -4.612 -11.149 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.403 -4.978 -11.685 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.982 -2.145 -12.907 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.426 -3.730 -13.584 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.457 -2.590 -14.548 1.00 25.00 H new ATOM 553 N TYR B 16 3.922 -6.304 -16.424 1.00 25.00 N ATOM 554 CA TYR B 16 4.673 -7.092 -17.389 1.00 25.00 C ATOM 555 C TYR B 16 4.416 -6.562 -18.812 1.00 25.00 C ATOM 556 O TYR B 16 5.319 -6.421 -19.622 1.00 25.00 O ATOM 557 CB TYR B 16 4.241 -8.542 -17.330 1.00 25.00 C ATOM 558 CG TYR B 16 5.037 -9.531 -18.147 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.255 -10.004 -17.679 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.565 -10.002 -19.380 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.969 -11.009 -18.398 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.322 -10.984 -20.133 1.00 25.00 C ATOM 563 CZ TYR B 16 6.493 -11.485 -19.605 1.00 25.00 C ATOM 564 OH TYR B 16 7.240 -12.455 -20.222 1.00 25.00 O ATOM 0 H TYR B 16 3.212 -6.833 -15.918 1.00 25.00 H new ATOM 0 HA TYR B 16 5.733 -7.013 -17.146 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.271 -8.862 -16.288 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.201 -8.598 -17.651 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.666 -9.608 -16.762 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.630 -9.631 -19.773 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.891 -11.402 -17.995 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.972 -11.319 -21.098 1.00 25.00 H new ATOM 0 HH TYR B 16 6.809 -12.715 -21.063 1.00 25.00 H new ATOM 574 N LEU B 17 3.171 -6.233 -19.092 1.00 25.00 N ATOM 575 CA LEU B 17 2.813 -5.702 -20.389 1.00 25.00 C ATOM 576 C LEU B 17 3.501 -4.354 -20.621 1.00 25.00 C ATOM 577 O LEU B 17 4.005 -4.127 -21.730 1.00 25.00 O ATOM 578 CB LEU B 17 1.296 -5.536 -20.529 1.00 25.00 C ATOM 579 CG LEU B 17 0.468 -6.805 -20.806 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.988 -6.437 -20.684 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.797 -7.461 -22.132 1.00 25.00 C ATOM 0 H LEU B 17 2.392 -6.324 -18.439 1.00 25.00 H new ATOM 0 HA LEU B 17 3.150 -6.416 -21.140 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.921 -5.082 -19.612 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.107 -4.828 -21.336 1.00 25.00 H new ATOM 0 HG LEU B 17 0.722 -7.567 -20.069 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.603 -7.317 -20.875 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.187 -6.067 -19.678 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.229 -5.661 -21.410 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.178 -8.348 -22.263 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.602 -6.760 -22.943 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.849 -7.747 -22.145 1.00 25.00 H new ATOM 593 N VAL B 18 3.459 -3.439 -19.647 1.00 25.00 N ATOM 594 CA VAL B 18 3.898 -2.056 -19.914 1.00 25.00 C ATOM 595 C VAL B 18 5.435 -1.974 -19.872 1.00 25.00 C ATOM 596 O VAL B 18 6.042 -1.123 -20.515 1.00 25.00 O ATOM 597 CB VAL B 18 3.228 -1.113 -18.915 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.827 -1.248 -17.523 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.356 0.366 -19.366 1.00 25.00 C ATOM 0 H VAL B 18 3.138 -3.616 -18.695 1.00 25.00 H new ATOM 0 HA VAL B 18 3.594 -1.746 -20.914 1.00 25.00 H new ATOM 0 HB VAL B 18 2.176 -1.398 -18.881 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.324 -0.561 -16.842 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.697 -2.271 -17.169 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.890 -1.009 -17.560 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.870 1.013 -18.635 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.410 0.633 -19.443 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.878 0.493 -20.337 1.00 25.00 H new ATOM 609 N CYS B 19 6.069 -2.849 -19.117 1.00 25.00 N ATOM 610 CA CYS B 19 7.553 -2.767 -18.949 1.00 25.00 C ATOM 611 C CYS B 19 8.275 -3.736 -19.879 1.00 25.00 C ATOM 612 O CYS B 19 9.440 -3.599 -20.141 1.00 25.00 O ATOM 613 CB CYS B 19 7.961 -3.040 -17.489 1.00 25.00 C ATOM 614 SG CYS B 19 9.598 -2.292 -17.125 1.00 25.00 S ATOM 0 H CYS B 19 5.619 -3.613 -18.613 1.00 25.00 H new ATOM 0 HA CYS B 19 7.850 -1.752 -19.213 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.210 -2.631 -16.813 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.998 -4.115 -17.311 1.00 25.00 H new ATOM 619 N GLY B 20 7.585 -4.752 -20.376 1.00 25.00 N ATOM 620 CA GLY B 20 8.163 -5.729 -21.249 1.00 25.00 C ATOM 621 C GLY B 20 8.587 -7.003 -20.494 1.00 25.00 C ATOM 622 O GLY B 20 8.549 -7.039 -19.248 1.00 25.00 O ATOM 0 H GLY B 20 6.598 -4.911 -20.174 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.444 -5.991 -22.026 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.031 -5.299 -21.749 1.00 25.00 H new ATOM 626 N GLU B 21 8.981 -8.018 -21.268 1.00 25.00 N ATOM 627 CA GLU B 21 9.354 -9.337 -20.745 1.00 25.00 C ATOM 628 C GLU B 21 10.682 -9.307 -19.958 1.00 25.00 C ATOM 629 O GLU B 21 11.076 -10.363 -19.417 1.00 25.00 O ATOM 630 CB GLU B 21 9.524 -10.300 -21.943 1.00 25.00 C ATOM 631 CG GLU B 21 8.316 -10.292 -22.907 1.00 25.00 C ATOM 632 CD GLU B 21 8.517 -11.213 -24.075 1.00 25.00 C ATOM 633 OE1 GLU B 21 8.232 -12.360 -24.036 1.00 25.00 O ATOM 634 OE2 GLU B 21 8.948 -10.633 -25.155 1.00 25.00 O ATOM 0 H GLU B 21 9.051 -7.948 -22.283 1.00 25.00 H new ATOM 0 HA GLU B 21 8.568 -9.662 -20.063 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.423 -10.027 -22.495 1.00 25.00 H new ATOM 0 HB3 GLU B 21 9.675 -11.312 -21.568 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.418 -10.587 -22.364 1.00 25.00 H new ATOM 0 HG3 GLU B 21 8.150 -9.278 -23.270 1.00 25.00 H new ATOM 642 N ARG B 22 11.354 -8.170 -19.934 1.00 25.00 N ATOM 643 CA ARG B 22 12.615 -8.008 -19.213 1.00 25.00 C ATOM 644 C ARG B 22 12.448 -8.153 -17.717 1.00 25.00 C ATOM 645 O ARG B 22 13.447 -8.386 -17.017 1.00 25.00 O ATOM 646 CB ARG B 22 13.254 -6.627 -19.494 1.00 25.00 C ATOM 647 CG ARG B 22 12.276 -5.482 -19.869 1.00 25.00 C ATOM 648 CD ARG B 22 12.125 -5.339 -21.367 1.00 25.00 C ATOM 649 NE ARG B 22 13.177 -4.490 -21.932 1.00 25.00 N ATOM 650 CZ ARG B 22 13.234 -4.106 -23.217 1.00 25.00 C ATOM 651 NH1 ARG B 22 12.330 -4.462 -24.110 1.00 25.00 N ATOM 652 NH2 ARG B 22 14.232 -3.316 -23.604 1.00 25.00 N ATOM 0 H ARG B 22 11.043 -7.326 -20.415 1.00 25.00 H new ATOM 0 HA ARG B 22 13.265 -8.803 -19.578 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.814 -6.323 -18.610 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.974 -6.741 -20.304 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.301 -5.676 -19.423 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.637 -4.543 -19.449 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.160 -6.324 -21.833 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.149 -4.912 -21.597 1.00 25.00 H new ATOM 0 HE ARG B 22 13.916 -4.169 -21.307 1.00 25.00 H new ATOM 0 HH11 ARG B 22 11.546 -5.054 -23.834 1.00 25.00 H new ATOM 0 HH12 ARG B 22 12.415 -4.145 -25.076 1.00 25.00 H new ATOM 0 HH21 ARG B 22 14.935 -3.014 -22.929 1.00 25.00 H new ATOM 0 HH22 ARG B 22 14.295 -3.012 -24.576 1.00 25.00 H new ATOM 666 N GLY B 23 11.204 -7.999 -17.241 1.00 25.00 N ATOM 667 CA GLY B 23 10.890 -8.124 -15.827 1.00 25.00 C ATOM 668 C GLY B 23 10.922 -6.817 -15.032 1.00 25.00 C ATOM 669 O GLY B 23 11.348 -5.781 -15.517 1.00 25.00 O ATOM 0 H GLY B 23 10.398 -7.786 -17.828 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.898 -8.565 -15.730 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.595 -8.822 -15.375 1.00 25.00 H new ATOM 673 N PHE B 24 10.434 -6.882 -13.811 1.00 25.00 N ATOM 674 CA PHE B 24 10.295 -5.673 -12.936 1.00 25.00 C ATOM 675 C PHE B 24 10.677 -6.058 -11.505 1.00 25.00 C ATOM 676 O PHE B 24 10.279 -5.447 -10.551 1.00 25.00 O ATOM 677 CB PHE B 24 8.838 -5.228 -12.973 1.00 25.00 C ATOM 678 CG PHE B 24 7.851 -6.371 -12.898 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.469 -6.947 -11.647 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.278 -6.885 -14.094 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.562 -8.010 -11.602 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.357 -7.991 -14.055 1.00 25.00 C ATOM 683 CZ PHE B 24 6.008 -8.526 -12.810 1.00 25.00 C ATOM 0 H PHE B 24 10.118 -7.749 -13.375 1.00 25.00 H new ATOM 0 HA PHE B 24 10.942 -4.866 -13.281 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.654 -4.546 -12.143 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.662 -4.667 -13.891 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.884 -6.558 -10.729 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.537 -6.440 -15.043 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.281 -8.440 -10.652 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.945 -8.399 -14.966 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.306 -9.345 -12.763 1.00 25.00 H new ATOM 693 N PHE B 25 11.404 -7.159 -11.360 1.00 25.00 N ATOM 694 CA PHE B 25 11.686 -7.679 -10.014 1.00 25.00 C ATOM 695 C PHE B 25 12.612 -6.823 -9.179 1.00 25.00 C ATOM 696 O PHE B 25 13.450 -6.109 -9.709 1.00 25.00 O ATOM 697 CB PHE B 25 12.307 -9.076 -10.132 1.00 25.00 C ATOM 698 CG PHE B 25 13.615 -9.100 -10.881 1.00 25.00 C ATOM 699 CD1 PHE B 25 14.840 -8.723 -10.256 1.00 25.00 C ATOM 700 CD2 PHE B 25 13.651 -9.489 -12.240 1.00 25.00 C ATOM 701 CE1 PHE B 25 16.031 -8.717 -10.961 1.00 25.00 C ATOM 702 CE2 PHE B 25 14.865 -9.483 -12.966 1.00 25.00 C ATOM 703 CZ PHE B 25 16.064 -9.099 -12.318 1.00 25.00 C ATOM 0 H PHE B 25 11.802 -7.700 -12.128 1.00 25.00 H new ATOM 0 HA PHE B 25 10.724 -7.689 -9.501 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.465 -9.479 -9.132 1.00 25.00 H new ATOM 0 HB3 PHE B 25 11.600 -9.736 -10.634 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.838 -8.437 -9.215 1.00 25.00 H new ATOM 0 HD2 PHE B 25 12.739 -9.795 -12.731 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.943 -8.417 -10.467 1.00 25.00 H new ATOM 0 HE2 PHE B 25 14.877 -9.769 -14.007 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.998 -9.099 -12.860 1.00 25.00 H new ATOM 713 N TYR B 26 12.380 -6.891 -7.863 1.00 25.00 N ATOM 714 CA TYR B 26 13.161 -6.127 -6.909 1.00 25.00 C ATOM 715 C TYR B 26 14.138 -7.068 -6.165 1.00 25.00 C ATOM 716 O TYR B 26 15.245 -6.739 -5.760 1.00 25.00 O ATOM 717 CB TYR B 26 12.186 -5.427 -5.963 1.00 25.00 C ATOM 718 CG TYR B 26 12.854 -4.755 -4.828 1.00 25.00 C ATOM 719 CD1 TYR B 26 13.557 -3.544 -5.020 1.00 25.00 C ATOM 720 CD2 TYR B 26 12.786 -5.281 -3.529 1.00 25.00 C ATOM 721 CE1 TYR B 26 14.186 -2.879 -3.904 1.00 25.00 C ATOM 722 CE2 TYR B 26 13.421 -4.653 -2.445 1.00 25.00 C ATOM 723 CZ TYR B 26 14.096 -3.475 -2.629 1.00 25.00 C ATOM 724 OH TYR B 26 14.720 -2.932 -1.533 1.00 25.00 O ATOM 0 H TYR B 26 11.654 -7.471 -7.443 1.00 25.00 H new ATOM 0 HA TYR B 26 13.770 -5.370 -7.403 1.00 25.00 H new ATOM 0 HB2 TYR B 26 11.611 -4.691 -6.525 1.00 25.00 H new ATOM 0 HB3 TYR B 26 11.477 -6.159 -5.577 1.00 25.00 H new ATOM 0 HD1 TYR B 26 13.624 -3.113 -6.008 1.00 25.00 H new ATOM 0 HD2 TYR B 26 12.231 -6.192 -3.358 1.00 25.00 H new ATOM 0 HE1 TYR B 26 14.713 -1.947 -4.042 1.00 25.00 H new ATOM 0 HE2 TYR B 26 13.377 -5.100 -1.463 1.00 25.00 H new ATOM 0 HH TYR B 26 14.539 -3.487 -0.745 1.00 25.00 H new ATOM 734 N THR B 27 13.714 -8.317 -6.096 1.00 25.00 N ATOM 735 CA THR B 27 14.526 -9.390 -5.550 1.00 25.00 C ATOM 736 C THR B 27 15.022 -10.217 -6.725 1.00 25.00 C ATOM 737 O THR B 27 14.264 -10.536 -7.639 1.00 25.00 O ATOM 738 CB THR B 27 13.694 -10.288 -4.625 1.00 25.00 C ATOM 739 OG1 THR B 27 12.544 -10.777 -5.364 1.00 25.00 O ATOM 740 CG2 THR B 27 13.196 -9.509 -3.432 1.00 25.00 C ATOM 0 H THR B 27 12.794 -8.617 -6.418 1.00 25.00 H new ATOM 0 HA THR B 27 15.350 -8.975 -4.969 1.00 25.00 H new ATOM 0 HB THR B 27 14.319 -11.112 -4.279 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.801 -10.945 -6.295 1.00 25.00 H new ATOM 0 HG21 THR B 27 12.608 -10.164 -2.789 1.00 25.00 H new ATOM 0 HG22 THR B 27 14.046 -9.118 -2.872 1.00 25.00 H new ATOM 0 HG23 THR B 27 12.574 -8.681 -3.772 1.00 25.00 H new ATOM 748 N LYS B 28 16.313 -10.528 -6.746 1.00 25.00 N ATOM 749 CA LYS B 28 16.855 -11.245 -7.891 1.00 25.00 C ATOM 750 C LYS B 28 16.190 -12.657 -8.081 1.00 25.00 C ATOM 751 O LYS B 28 15.798 -13.294 -7.111 1.00 25.00 O ATOM 752 CB LYS B 28 18.395 -11.343 -7.770 1.00 25.00 C ATOM 753 CG LYS B 28 18.891 -12.110 -6.508 1.00 25.00 C ATOM 754 CD LYS B 28 20.399 -12.399 -6.602 1.00 25.00 C ATOM 755 CE LYS B 28 21.275 -11.157 -6.594 1.00 25.00 C ATOM 756 NZ LYS B 28 22.773 -11.466 -6.809 1.00 25.00 N ATOM 0 H LYS B 28 16.983 -10.304 -6.010 1.00 25.00 H new ATOM 0 HA LYS B 28 16.614 -10.678 -8.790 1.00 25.00 H new ATOM 0 HB2 LYS B 28 18.787 -11.838 -8.659 1.00 25.00 H new ATOM 0 HB3 LYS B 28 18.812 -10.336 -7.756 1.00 25.00 H new ATOM 0 HG2 LYS B 28 18.684 -11.521 -5.614 1.00 25.00 H new ATOM 0 HG3 LYS B 28 18.342 -13.046 -6.407 1.00 25.00 H new ATOM 0 HD2 LYS B 28 20.687 -13.038 -5.768 1.00 25.00 H new ATOM 0 HD3 LYS B 28 20.593 -12.961 -7.516 1.00 25.00 H new ATOM 0 HE2 LYS B 28 20.936 -10.476 -7.375 1.00 25.00 H new ATOM 0 HE3 LYS B 28 21.151 -10.639 -5.643 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 23.316 -10.579 -6.793 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 23.111 -12.092 -6.051 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 22.902 -11.935 -7.728 1.00 25.00 H new ATOM 770 N PRO B 29 16.070 -13.175 -9.315 1.00 25.00 N ATOM 771 CA PRO B 29 15.543 -14.539 -9.464 1.00 25.00 C ATOM 772 C PRO B 29 16.537 -15.624 -9.107 1.00 25.00 C ATOM 773 O PRO B 29 17.177 -16.189 -9.956 1.00 25.00 O ATOM 774 CB PRO B 29 15.171 -14.573 -10.941 1.00 25.00 C ATOM 775 CG PRO B 29 16.218 -13.757 -11.616 1.00 25.00 C ATOM 776 CD PRO B 29 16.413 -12.586 -10.629 1.00 25.00 C ATOM 0 HA PRO B 29 14.715 -14.742 -8.785 1.00 25.00 H new ATOM 0 HB2 PRO B 29 15.158 -15.594 -11.322 1.00 25.00 H new ATOM 0 HB3 PRO B 29 14.177 -14.158 -11.108 1.00 25.00 H new ATOM 0 HG2 PRO B 29 17.139 -14.321 -11.765 1.00 25.00 H new ATOM 0 HG3 PRO B 29 15.894 -13.411 -12.598 1.00 25.00 H new ATOM 0 HD2 PRO B 29 17.437 -12.214 -10.646 1.00 25.00 H new ATOM 0 HD3 PRO B 29 15.764 -11.745 -10.872 1.00 25.00 H new ATOM 784 N THR B 30 16.564 -15.990 -7.811 1.00 25.00 N ATOM 785 CA THR B 30 17.389 -17.041 -7.309 1.00 25.00 C ATOM 786 C THR B 30 16.980 -18.374 -7.856 1.00 25.00 C ATOM 787 O THR B 30 17.717 -19.035 -8.556 1.00 25.00 O ATOM 788 CB THR B 30 17.465 -17.105 -5.751 1.00 25.00 C ATOM 789 OG1 THR B 30 16.152 -17.246 -5.197 1.00 25.00 O ATOM 790 CG2 THR B 30 18.175 -15.927 -5.109 1.00 25.00 C ATOM 791 OXT THR B 30 15.766 -18.784 -7.516 1.00 25.00 O ATOM 0 H THR B 30 15.995 -15.540 -7.094 1.00 25.00 H new ATOM 0 HA THR B 30 18.392 -16.798 -7.660 1.00 25.00 H new ATOM 0 HB THR B 30 18.072 -17.981 -5.522 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.614 -17.826 -5.775 1.00 25.00 H new ATOM 0 HG21 THR B 30 18.182 -16.053 -4.026 1.00 25.00 H new ATOM 0 HG22 THR B 30 19.200 -15.877 -5.475 1.00 25.00 H new ATOM 0 HG23 THR B 30 17.653 -15.005 -5.364 1.00 25.00 H new TER 800 THR B 30