USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 60 SER OG : rot -90:sc= 0.00766 USER MOD Set 1.2: A 61 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -10:sc= 0.81 USER MOD Single : A 23 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-2.7!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -173:sc= -7.95! (180deg=-9.64!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -5.79! K(o=-5.8!,f=-3.6) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.505) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 52 THR OG1 : rot 22:sc= 0.686! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 16.091 -14.288 -15.872 1.00 0.00 N ATOM 26 CA ASP A 11 17.148 -15.083 -16.559 1.00 0.00 C ATOM 27 C ASP A 11 18.441 -14.267 -16.621 1.00 0.00 C ATOM 28 O ASP A 11 18.418 -13.057 -16.733 1.00 0.00 O ATOM 29 CB ASP A 11 16.690 -15.421 -17.979 1.00 0.00 C ATOM 30 CG ASP A 11 15.817 -16.677 -17.948 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.370 -17.755 -17.812 1.00 0.00 O ATOM 32 OD2 ASP A 11 14.610 -16.538 -18.061 1.00 0.00 O ATOM 0 HA ASP A 11 17.326 -16.005 -16.006 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.130 -14.586 -18.400 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.555 -15.582 -18.623 1.00 0.00 H new ATOM 37 N ILE A 12 19.568 -14.919 -16.547 1.00 0.00 N ATOM 38 CA ILE A 12 20.862 -14.181 -16.601 1.00 0.00 C ATOM 39 C ILE A 12 21.561 -14.471 -17.931 1.00 0.00 C ATOM 40 O ILE A 12 21.664 -15.605 -18.354 1.00 0.00 O ATOM 41 CB ILE A 12 21.756 -14.639 -15.446 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.980 -14.542 -14.131 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.994 -13.744 -15.374 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.692 -13.073 -13.816 1.00 0.00 C ATOM 0 H ILE A 12 19.649 -15.931 -16.451 1.00 0.00 H new ATOM 0 HA ILE A 12 20.674 -13.111 -16.516 1.00 0.00 H new ATOM 0 HB ILE A 12 22.063 -15.672 -15.612 1.00 0.00 H new ATOM 0 HG12 ILE A 12 20.046 -15.099 -14.206 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.556 -14.992 -13.322 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.631 -14.070 -14.552 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.547 -13.812 -16.311 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.687 -12.711 -15.208 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.139 -13.003 -12.879 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.632 -12.530 -13.724 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.099 -12.638 -14.620 1.00 0.00 H new ATOM 56 N VAL A 13 22.040 -13.455 -18.593 1.00 0.00 N ATOM 57 CA VAL A 13 22.730 -13.670 -19.894 1.00 0.00 C ATOM 58 C VAL A 13 24.075 -12.952 -19.866 1.00 0.00 C ATOM 59 O VAL A 13 24.260 -12.001 -19.133 1.00 0.00 O ATOM 60 CB VAL A 13 21.875 -13.095 -21.025 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.843 -14.133 -21.463 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.156 -11.837 -20.533 1.00 0.00 C ATOM 0 H VAL A 13 21.983 -12.483 -18.288 1.00 0.00 H new ATOM 0 HA VAL A 13 22.881 -14.737 -20.059 1.00 0.00 H new ATOM 0 HB VAL A 13 22.515 -12.841 -21.870 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.234 -13.723 -22.269 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.355 -15.029 -21.815 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.203 -14.389 -20.619 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.547 -11.427 -21.339 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.516 -12.091 -19.688 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.892 -11.096 -20.222 1.00 0.00 H new ATOM 72 N VAL A 14 25.016 -13.384 -20.655 1.00 0.00 N ATOM 73 CA VAL A 14 26.333 -12.693 -20.650 1.00 0.00 C ATOM 74 C VAL A 14 26.542 -11.995 -21.992 1.00 0.00 C ATOM 75 O VAL A 14 26.297 -12.554 -23.043 1.00 0.00 O ATOM 76 CB VAL A 14 27.456 -13.701 -20.401 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.486 -14.720 -21.543 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.797 -12.966 -20.339 1.00 0.00 C ATOM 0 H VAL A 14 24.933 -14.174 -21.295 1.00 0.00 H new ATOM 0 HA VAL A 14 26.349 -11.952 -19.851 1.00 0.00 H new ATOM 0 HB VAL A 14 27.280 -14.216 -19.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.286 -15.440 -21.368 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.531 -15.243 -21.589 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.663 -14.204 -22.487 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.598 -13.684 -20.162 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.974 -12.451 -21.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.776 -12.238 -19.528 1.00 0.00 H new ATOM 88 N ALA A 15 26.987 -10.771 -21.960 1.00 0.00 N ATOM 89 CA ALA A 15 27.209 -10.018 -23.223 1.00 0.00 C ATOM 90 C ALA A 15 28.189 -10.772 -24.118 1.00 0.00 C ATOM 91 O ALA A 15 29.333 -10.984 -23.768 1.00 0.00 O ATOM 92 CB ALA A 15 27.788 -8.641 -22.893 1.00 0.00 C ATOM 0 H ALA A 15 27.208 -10.257 -21.107 1.00 0.00 H new ATOM 0 HA ALA A 15 26.259 -9.909 -23.745 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.953 -8.085 -23.816 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.089 -8.095 -22.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.736 -8.761 -22.368 1.00 0.00 H new ATOM 98 N LEU A 16 27.755 -11.159 -25.284 1.00 0.00 N ATOM 99 CA LEU A 16 28.663 -11.875 -26.217 1.00 0.00 C ATOM 100 C LEU A 16 29.334 -10.838 -27.113 1.00 0.00 C ATOM 101 O LEU A 16 30.434 -11.024 -27.593 1.00 0.00 O ATOM 102 CB LEU A 16 27.851 -12.844 -27.079 1.00 0.00 C ATOM 103 CG LEU A 16 27.337 -13.991 -26.209 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.293 -14.791 -26.988 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.503 -14.908 -25.831 1.00 0.00 C ATOM 0 H LEU A 16 26.808 -11.009 -25.631 1.00 0.00 H new ATOM 0 HA LEU A 16 29.412 -12.438 -25.660 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.014 -12.322 -27.543 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.470 -13.235 -27.887 1.00 0.00 H new ATOM 0 HG LEU A 16 26.885 -13.586 -25.303 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.925 -15.609 -26.369 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.462 -14.139 -27.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.746 -15.196 -27.893 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.136 -15.726 -25.211 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.955 -15.314 -26.736 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.249 -14.338 -25.277 1.00 0.00 H new ATOM 117 N TYR A 17 28.662 -9.742 -27.337 1.00 0.00 N ATOM 118 CA TYR A 17 29.225 -8.668 -28.196 1.00 0.00 C ATOM 119 C TYR A 17 28.958 -7.311 -27.543 1.00 0.00 C ATOM 120 O TYR A 17 27.911 -7.089 -26.967 1.00 0.00 O ATOM 121 CB TYR A 17 28.538 -8.707 -29.563 1.00 0.00 C ATOM 122 CG TYR A 17 29.182 -9.768 -30.424 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.394 -9.502 -31.073 1.00 0.00 C ATOM 124 CD2 TYR A 17 28.567 -11.016 -30.574 1.00 0.00 C ATOM 125 CE1 TYR A 17 30.990 -10.485 -31.873 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.163 -11.998 -31.373 1.00 0.00 C ATOM 127 CZ TYR A 17 30.375 -11.733 -32.023 1.00 0.00 C ATOM 128 OH TYR A 17 30.961 -12.702 -32.811 1.00 0.00 O ATOM 0 H TYR A 17 27.737 -9.545 -26.956 1.00 0.00 H new ATOM 0 HA TYR A 17 30.298 -8.817 -28.316 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.476 -8.919 -29.441 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.616 -7.734 -30.048 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.869 -8.539 -30.957 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.632 -11.221 -30.073 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.924 -10.280 -32.374 1.00 0.00 H new ATOM 0 HE2 TYR A 17 28.688 -12.961 -31.489 1.00 0.00 H new ATOM 0 HH TYR A 17 30.404 -13.508 -32.806 1.00 0.00 H new ATOM 138 N PRO A 18 29.912 -6.378 -27.651 1.00 0.00 N ATOM 139 CA PRO A 18 29.772 -5.028 -27.088 1.00 0.00 C ATOM 140 C PRO A 18 28.602 -4.271 -27.724 1.00 0.00 C ATOM 141 O PRO A 18 28.355 -4.371 -28.910 1.00 0.00 O ATOM 142 CB PRO A 18 31.105 -4.361 -27.441 1.00 0.00 C ATOM 143 CG PRO A 18 31.594 -5.134 -28.617 1.00 0.00 C ATOM 144 CD PRO A 18 31.202 -6.554 -28.330 1.00 0.00 C ATOM 0 HA PRO A 18 29.562 -5.039 -26.018 1.00 0.00 H new ATOM 0 HB2 PRO A 18 30.972 -3.307 -27.684 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.809 -4.411 -26.610 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.140 -4.777 -29.542 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.673 -5.037 -28.733 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.107 -7.144 -29.241 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.931 -7.060 -27.697 1.00 0.00 H new ATOM 152 N TYR A 19 27.872 -3.525 -26.940 1.00 0.00 N ATOM 153 CA TYR A 19 26.708 -2.772 -27.490 1.00 0.00 C ATOM 154 C TYR A 19 26.759 -1.324 -27.004 1.00 0.00 C ATOM 155 O TYR A 19 26.782 -1.061 -25.818 1.00 0.00 O ATOM 156 CB TYR A 19 25.414 -3.422 -26.996 1.00 0.00 C ATOM 157 CG TYR A 19 24.236 -2.877 -27.774 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.627 -1.677 -27.381 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.749 -3.578 -28.884 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.532 -1.179 -28.100 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.656 -3.079 -29.601 1.00 0.00 C ATOM 162 CZ TYR A 19 22.047 -1.881 -29.211 1.00 0.00 C ATOM 163 OH TYR A 19 20.969 -1.391 -29.920 1.00 0.00 O ATOM 0 H TYR A 19 28.032 -3.404 -25.940 1.00 0.00 H new ATOM 0 HA TYR A 19 26.742 -2.791 -28.579 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.471 -4.504 -27.116 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.281 -3.226 -25.932 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.002 -1.136 -26.524 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.217 -4.503 -29.187 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.062 -0.255 -27.798 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.281 -3.620 -30.458 1.00 0.00 H new ATOM 0 HH TYR A 19 20.567 -0.644 -29.429 1.00 0.00 H new ATOM 173 N ASP A 20 26.763 -0.381 -27.903 1.00 0.00 N ATOM 174 CA ASP A 20 26.796 1.043 -27.473 1.00 0.00 C ATOM 175 C ASP A 20 25.396 1.635 -27.629 1.00 0.00 C ATOM 176 O ASP A 20 24.912 1.829 -28.726 1.00 0.00 O ATOM 177 CB ASP A 20 27.793 1.826 -28.329 1.00 0.00 C ATOM 178 CG ASP A 20 27.587 3.326 -28.107 1.00 0.00 C ATOM 179 OD1 ASP A 20 26.922 3.677 -27.148 1.00 0.00 O ATOM 180 OD2 ASP A 20 28.099 4.098 -28.902 1.00 0.00 O ATOM 0 H ASP A 20 26.745 -0.533 -28.911 1.00 0.00 H new ATOM 0 HA ASP A 20 27.110 1.106 -26.431 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.813 1.545 -28.067 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.656 1.581 -29.382 1.00 0.00 H new ATOM 185 N GLY A 21 24.741 1.905 -26.529 1.00 0.00 N ATOM 186 CA GLY A 21 23.361 2.470 -26.575 1.00 0.00 C ATOM 187 C GLY A 21 23.146 3.276 -27.858 1.00 0.00 C ATOM 188 O GLY A 21 23.386 4.467 -27.902 1.00 0.00 O ATOM 0 H GLY A 21 25.109 1.756 -25.590 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.631 1.663 -26.521 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.195 3.108 -25.707 1.00 0.00 H new ATOM 192 N ILE A 22 22.678 2.640 -28.898 1.00 0.00 N ATOM 193 CA ILE A 22 22.430 3.375 -30.168 1.00 0.00 C ATOM 194 C ILE A 22 21.007 3.937 -30.131 1.00 0.00 C ATOM 195 O ILE A 22 20.636 4.781 -30.922 1.00 0.00 O ATOM 196 CB ILE A 22 22.578 2.419 -31.355 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.063 2.175 -31.633 1.00 0.00 C ATOM 198 CG2 ILE A 22 21.924 3.033 -32.595 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.271 0.717 -32.048 1.00 0.00 C ATOM 0 H ILE A 22 22.457 1.644 -28.922 1.00 0.00 H new ATOM 0 HA ILE A 22 23.150 4.186 -30.279 1.00 0.00 H new ATOM 0 HB ILE A 22 22.091 1.473 -31.118 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.411 2.842 -32.422 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.652 2.399 -30.744 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.031 2.351 -33.438 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.866 3.206 -32.400 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.409 3.980 -32.831 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.329 0.542 -32.246 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.939 0.059 -31.245 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.694 0.509 -32.949 1.00 0.00 H new ATOM 211 N HIS A 23 20.215 3.471 -29.204 1.00 0.00 N ATOM 212 CA HIS A 23 18.816 3.964 -29.085 1.00 0.00 C ATOM 213 C HIS A 23 18.662 4.706 -27.757 1.00 0.00 C ATOM 214 O HIS A 23 19.586 4.786 -26.972 1.00 0.00 O ATOM 215 CB HIS A 23 17.854 2.775 -29.117 1.00 0.00 C ATOM 216 CG HIS A 23 16.977 2.871 -30.336 1.00 0.00 C ATOM 217 ND1 HIS A 23 16.153 1.830 -30.736 1.00 0.00 N ATOM 218 CD2 HIS A 23 16.783 3.875 -31.251 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.508 2.229 -31.847 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.855 3.468 -32.205 1.00 0.00 N ATOM 0 H HIS A 23 20.481 2.764 -28.519 1.00 0.00 H new ATOM 0 HA HIS A 23 18.589 4.636 -29.913 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.415 1.840 -29.132 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.242 2.765 -28.215 1.00 0.00 H new ATOM 0 HD2 HIS A 23 17.276 4.836 -31.234 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.796 1.621 -32.385 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.514 4.001 -33.005 1.00 0.00 H new ATOM 228 N PRO A 24 17.468 5.257 -27.500 1.00 0.00 N ATOM 229 CA PRO A 24 17.193 5.992 -26.261 1.00 0.00 C ATOM 230 C PRO A 24 17.056 5.055 -25.058 1.00 0.00 C ATOM 231 O PRO A 24 17.363 5.418 -23.940 1.00 0.00 O ATOM 232 CB PRO A 24 15.856 6.677 -26.540 1.00 0.00 C ATOM 233 CG PRO A 24 15.199 5.825 -27.575 1.00 0.00 C ATOM 234 CD PRO A 24 16.300 5.209 -28.395 1.00 0.00 C ATOM 0 HA PRO A 24 17.999 6.682 -26.010 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.249 6.741 -25.637 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.001 7.696 -26.900 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.587 5.053 -27.108 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.537 6.421 -28.203 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.059 4.186 -28.685 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.476 5.768 -29.314 1.00 0.00 H new ATOM 242 N ASP A 25 16.585 3.858 -25.275 1.00 0.00 N ATOM 243 CA ASP A 25 16.412 2.907 -24.139 1.00 0.00 C ATOM 244 C ASP A 25 17.391 1.734 -24.272 1.00 0.00 C ATOM 245 O ASP A 25 17.527 0.930 -23.372 1.00 0.00 O ATOM 246 CB ASP A 25 14.981 2.369 -24.152 1.00 0.00 C ATOM 247 CG ASP A 25 13.999 3.536 -24.269 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.286 4.584 -23.713 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.977 3.364 -24.912 1.00 0.00 O ATOM 0 H ASP A 25 16.312 3.497 -26.189 1.00 0.00 H new ATOM 0 HA ASP A 25 16.610 3.430 -23.204 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.847 1.682 -24.987 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.785 1.805 -23.240 1.00 0.00 H new ATOM 254 N ASP A 26 18.063 1.616 -25.385 1.00 0.00 N ATOM 255 CA ASP A 26 19.012 0.482 -25.558 1.00 0.00 C ATOM 256 C ASP A 26 20.108 0.554 -24.495 1.00 0.00 C ATOM 257 O ASP A 26 20.891 1.482 -24.467 1.00 0.00 O ATOM 258 CB ASP A 26 19.654 0.566 -26.943 1.00 0.00 C ATOM 259 CG ASP A 26 18.756 -0.131 -27.966 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.711 -0.622 -27.572 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.128 -0.162 -29.128 1.00 0.00 O ATOM 0 H ASP A 26 17.996 2.254 -26.178 1.00 0.00 H new ATOM 0 HA ASP A 26 18.469 -0.457 -25.455 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.802 1.609 -27.224 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.638 0.097 -26.928 1.00 0.00 H new ATOM 266 N LEU A 27 20.187 -0.417 -23.626 1.00 0.00 N ATOM 267 CA LEU A 27 21.251 -0.390 -22.584 1.00 0.00 C ATOM 268 C LEU A 27 22.559 -0.881 -23.216 1.00 0.00 C ATOM 269 O LEU A 27 22.584 -1.863 -23.931 1.00 0.00 O ATOM 270 CB LEU A 27 20.827 -1.290 -21.411 1.00 0.00 C ATOM 271 CG LEU A 27 22.052 -1.849 -20.680 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.695 -2.958 -21.515 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.062 -0.727 -20.441 1.00 0.00 C ATOM 0 H LEU A 27 19.564 -1.224 -23.593 1.00 0.00 H new ATOM 0 HA LEU A 27 21.401 0.620 -22.202 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.211 -0.721 -20.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.213 -2.111 -21.781 1.00 0.00 H new ATOM 0 HG LEU A 27 21.740 -2.263 -19.721 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.565 -3.351 -20.989 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.974 -3.760 -21.672 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.005 -2.554 -22.479 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.933 -1.126 -19.921 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.372 -0.306 -21.398 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.603 0.053 -19.834 1.00 0.00 H new ATOM 285 N SER A 28 23.640 -0.193 -22.971 1.00 0.00 N ATOM 286 CA SER A 28 24.946 -0.597 -23.569 1.00 0.00 C ATOM 287 C SER A 28 25.616 -1.689 -22.728 1.00 0.00 C ATOM 288 O SER A 28 25.662 -1.618 -21.517 1.00 0.00 O ATOM 289 CB SER A 28 25.866 0.625 -23.618 1.00 0.00 C ATOM 290 OG SER A 28 26.668 0.660 -22.447 1.00 0.00 O ATOM 0 H SER A 28 23.676 0.637 -22.379 1.00 0.00 H new ATOM 0 HA SER A 28 24.768 -0.987 -24.571 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.499 0.582 -24.504 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.274 1.537 -23.694 1.00 0.00 H new ATOM 0 HG SER A 28 27.259 1.441 -22.478 1.00 0.00 H new ATOM 296 N PHE A 29 26.172 -2.682 -23.369 1.00 0.00 N ATOM 297 CA PHE A 29 26.875 -3.757 -22.616 1.00 0.00 C ATOM 298 C PHE A 29 28.154 -4.127 -23.369 1.00 0.00 C ATOM 299 O PHE A 29 28.215 -4.033 -24.579 1.00 0.00 O ATOM 300 CB PHE A 29 25.976 -4.991 -22.469 1.00 0.00 C ATOM 301 CG PHE A 29 25.293 -5.322 -23.776 1.00 0.00 C ATOM 302 CD1 PHE A 29 25.918 -6.171 -24.698 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.023 -4.804 -24.052 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.272 -6.501 -25.897 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.378 -5.129 -25.253 1.00 0.00 C ATOM 306 CZ PHE A 29 24.003 -5.980 -26.175 1.00 0.00 C ATOM 0 H PHE A 29 26.169 -2.794 -24.383 1.00 0.00 H new ATOM 0 HA PHE A 29 27.121 -3.398 -21.617 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.572 -5.842 -22.140 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.227 -4.810 -21.699 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.898 -6.571 -24.485 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.539 -4.153 -23.339 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.753 -7.157 -26.607 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.400 -4.724 -25.468 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.506 -6.234 -27.099 1.00 0.00 H new ATOM 316 N LYS A 30 29.182 -4.528 -22.674 1.00 0.00 N ATOM 317 CA LYS A 30 30.450 -4.879 -23.373 1.00 0.00 C ATOM 318 C LYS A 30 30.657 -6.390 -23.343 1.00 0.00 C ATOM 319 O LYS A 30 30.358 -7.044 -22.363 1.00 0.00 O ATOM 320 CB LYS A 30 31.621 -4.196 -22.664 1.00 0.00 C ATOM 321 CG LYS A 30 31.769 -2.765 -23.187 1.00 0.00 C ATOM 322 CD LYS A 30 31.070 -1.798 -22.229 1.00 0.00 C ATOM 323 CE LYS A 30 30.806 -0.472 -22.947 1.00 0.00 C ATOM 324 NZ LYS A 30 31.480 0.635 -22.209 1.00 0.00 N ATOM 0 H LYS A 30 29.200 -4.627 -21.659 1.00 0.00 H new ATOM 0 HA LYS A 30 30.396 -4.543 -24.409 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.452 -4.185 -21.587 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.541 -4.755 -22.837 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.824 -2.506 -23.277 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.335 -2.684 -24.184 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.131 -2.229 -21.881 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.690 -1.630 -21.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.177 -0.520 -23.971 1.00 0.00 H new ATOM 0 HE3 LYS A 30 29.734 -0.285 -23.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 31.301 1.536 -22.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 31.105 0.685 -21.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 32.504 0.457 -22.175 1.00 0.00 H new ATOM 338 N LYS A 31 31.177 -6.955 -24.400 1.00 0.00 N ATOM 339 CA LYS A 31 31.408 -8.424 -24.403 1.00 0.00 C ATOM 340 C LYS A 31 32.025 -8.816 -23.061 1.00 0.00 C ATOM 341 O LYS A 31 32.691 -8.027 -22.420 1.00 0.00 O ATOM 342 CB LYS A 31 32.360 -8.809 -25.534 1.00 0.00 C ATOM 343 CG LYS A 31 33.579 -7.885 -25.515 1.00 0.00 C ATOM 344 CD LYS A 31 34.691 -8.488 -26.377 1.00 0.00 C ATOM 345 CE LYS A 31 34.113 -8.910 -27.730 1.00 0.00 C ATOM 346 NZ LYS A 31 34.991 -8.405 -28.824 1.00 0.00 N ATOM 0 H LYS A 31 31.449 -6.466 -25.253 1.00 0.00 H new ATOM 0 HA LYS A 31 30.462 -8.944 -24.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.675 -9.846 -25.420 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.849 -8.734 -26.494 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.307 -6.899 -25.891 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.930 -7.750 -24.492 1.00 0.00 H new ATOM 0 HD2 LYS A 31 35.490 -7.760 -26.521 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.131 -9.348 -25.873 1.00 0.00 H new ATOM 0 HE2 LYS A 31 34.037 -9.996 -27.782 1.00 0.00 H new ATOM 0 HE3 LYS A 31 33.104 -8.514 -27.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 34.599 -8.691 -29.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 35.042 -7.367 -28.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 35.945 -8.804 -28.715 1.00 0.00 H new ATOM 360 N GLY A 32 31.801 -10.021 -22.623 1.00 0.00 N ATOM 361 CA GLY A 32 32.367 -10.453 -21.314 1.00 0.00 C ATOM 362 C GLY A 32 31.516 -9.882 -20.170 1.00 0.00 C ATOM 363 O GLY A 32 31.605 -10.323 -19.042 1.00 0.00 O ATOM 0 H GLY A 32 31.251 -10.726 -23.113 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.388 -11.541 -21.257 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.397 -10.109 -21.221 1.00 0.00 H new ATOM 367 N GLU A 33 30.694 -8.904 -20.450 1.00 0.00 N ATOM 368 CA GLU A 33 29.842 -8.308 -19.378 1.00 0.00 C ATOM 369 C GLU A 33 28.584 -9.160 -19.186 1.00 0.00 C ATOM 370 O GLU A 33 28.115 -9.809 -20.096 1.00 0.00 O ATOM 371 CB GLU A 33 29.442 -6.885 -19.770 1.00 0.00 C ATOM 372 CG GLU A 33 29.220 -6.052 -18.506 1.00 0.00 C ATOM 373 CD GLU A 33 27.838 -6.363 -17.927 1.00 0.00 C ATOM 374 OE1 GLU A 33 26.857 -6.017 -18.566 1.00 0.00 O ATOM 375 OE2 GLU A 33 27.783 -6.942 -16.855 1.00 0.00 O ATOM 0 H GLU A 33 30.576 -8.492 -21.376 1.00 0.00 H new ATOM 0 HA GLU A 33 30.405 -8.281 -18.445 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.221 -6.433 -20.384 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.533 -6.904 -20.371 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.993 -6.275 -17.770 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.298 -4.990 -18.739 1.00 0.00 H new ATOM 382 N LYS A 34 28.042 -9.163 -17.996 1.00 0.00 N ATOM 383 CA LYS A 34 26.819 -9.974 -17.723 1.00 0.00 C ATOM 384 C LYS A 34 25.598 -9.058 -17.636 1.00 0.00 C ATOM 385 O LYS A 34 25.675 -7.933 -17.184 1.00 0.00 O ATOM 386 CB LYS A 34 26.989 -10.720 -16.399 1.00 0.00 C ATOM 387 CG LYS A 34 27.536 -12.122 -16.669 1.00 0.00 C ATOM 388 CD LYS A 34 27.113 -13.062 -15.539 1.00 0.00 C ATOM 389 CE LYS A 34 27.557 -14.489 -15.868 1.00 0.00 C ATOM 390 NZ LYS A 34 28.160 -15.114 -14.658 1.00 0.00 N ATOM 0 H LYS A 34 28.396 -8.636 -17.198 1.00 0.00 H new ATOM 0 HA LYS A 34 26.675 -10.690 -18.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.669 -10.173 -15.746 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.032 -10.785 -15.881 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.162 -12.492 -17.623 1.00 0.00 H new ATOM 0 HG3 LYS A 34 28.623 -12.092 -16.743 1.00 0.00 H new ATOM 0 HD2 LYS A 34 27.558 -12.739 -14.598 1.00 0.00 H new ATOM 0 HD3 LYS A 34 26.031 -13.027 -15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 34 26.704 -15.077 -16.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 28.281 -14.477 -16.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 28.462 -16.084 -14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 28.984 -14.557 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 27.456 -15.138 -13.893 1.00 0.00 H new ATOM 404 N MET A 35 24.471 -9.543 -18.074 1.00 0.00 N ATOM 405 CA MET A 35 23.225 -8.731 -18.036 1.00 0.00 C ATOM 406 C MET A 35 22.060 -9.600 -17.573 1.00 0.00 C ATOM 407 O MET A 35 22.061 -10.804 -17.733 1.00 0.00 O ATOM 408 CB MET A 35 22.906 -8.211 -19.435 1.00 0.00 C ATOM 409 CG MET A 35 23.409 -6.773 -19.574 1.00 0.00 C ATOM 410 SD MET A 35 23.238 -6.238 -21.296 1.00 0.00 S ATOM 411 CE MET A 35 23.959 -7.708 -22.068 1.00 0.00 C ATOM 0 H MET A 35 24.359 -10.480 -18.462 1.00 0.00 H new ATOM 0 HA MET A 35 23.370 -7.897 -17.349 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.376 -8.846 -20.186 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.831 -8.250 -19.612 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.841 -6.113 -18.919 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.452 -6.710 -19.264 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.068 -7.540 -23.139 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.937 -7.906 -21.630 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.306 -8.565 -21.900 1.00 0.00 H new ATOM 421 N LYS A 36 21.062 -8.987 -17.010 1.00 0.00 N ATOM 422 CA LYS A 36 19.876 -9.752 -16.538 1.00 0.00 C ATOM 423 C LYS A 36 18.651 -9.265 -17.307 1.00 0.00 C ATOM 424 O LYS A 36 18.437 -8.081 -17.456 1.00 0.00 O ATOM 425 CB LYS A 36 19.674 -9.510 -15.041 1.00 0.00 C ATOM 426 CG LYS A 36 18.637 -10.497 -14.499 1.00 0.00 C ATOM 427 CD LYS A 36 18.433 -10.248 -13.003 1.00 0.00 C ATOM 428 CE LYS A 36 17.808 -11.489 -12.361 1.00 0.00 C ATOM 429 NZ LYS A 36 16.686 -11.075 -11.472 1.00 0.00 N ATOM 0 H LYS A 36 21.015 -7.980 -16.854 1.00 0.00 H new ATOM 0 HA LYS A 36 20.024 -10.819 -16.707 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.619 -9.632 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.342 -8.486 -14.869 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.693 -10.378 -15.031 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.971 -11.521 -14.666 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.387 -10.021 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.787 -9.383 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.444 -12.167 -13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.559 -12.033 -11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.260 -11.917 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.047 -10.444 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.966 -10.574 -12.031 1.00 0.00 H new ATOM 443 N VAL A 37 17.845 -10.161 -17.799 1.00 0.00 N ATOM 444 CA VAL A 37 16.638 -9.729 -18.560 1.00 0.00 C ATOM 445 C VAL A 37 15.397 -9.894 -17.682 1.00 0.00 C ATOM 446 O VAL A 37 15.066 -10.980 -17.251 1.00 0.00 O ATOM 447 CB VAL A 37 16.499 -10.575 -19.829 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.808 -12.037 -19.506 1.00 0.00 C ATOM 449 CG2 VAL A 37 15.071 -10.461 -20.369 1.00 0.00 C ATOM 0 H VAL A 37 17.967 -11.170 -17.709 1.00 0.00 H new ATOM 0 HA VAL A 37 16.740 -8.681 -18.842 1.00 0.00 H new ATOM 0 HB VAL A 37 17.200 -10.214 -20.582 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.709 -12.638 -20.410 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.826 -12.118 -19.126 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.109 -12.398 -18.751 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.974 -11.064 -21.272 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.368 -10.819 -19.617 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.853 -9.419 -20.603 1.00 0.00 H new ATOM 459 N LEU A 38 14.711 -8.818 -17.413 1.00 0.00 N ATOM 460 CA LEU A 38 13.492 -8.901 -16.560 1.00 0.00 C ATOM 461 C LEU A 38 12.266 -9.187 -17.433 1.00 0.00 C ATOM 462 O LEU A 38 11.403 -9.962 -17.070 1.00 0.00 O ATOM 463 CB LEU A 38 13.295 -7.573 -15.825 1.00 0.00 C ATOM 464 CG LEU A 38 14.653 -6.899 -15.615 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.856 -5.818 -16.679 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.698 -6.260 -14.225 1.00 0.00 C ATOM 0 H LEU A 38 14.942 -7.883 -17.748 1.00 0.00 H new ATOM 0 HA LEU A 38 13.613 -9.707 -15.836 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.638 -6.921 -16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.810 -7.745 -14.864 1.00 0.00 H new ATOM 0 HG LEU A 38 15.444 -7.644 -15.698 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.823 -5.338 -16.530 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.825 -6.272 -17.669 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.064 -5.073 -16.597 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.665 -5.780 -14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.907 -5.515 -14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.554 -7.029 -13.466 1.00 0.00 H new ATOM 478 N GLU A 39 12.179 -8.568 -18.579 1.00 0.00 N ATOM 479 CA GLU A 39 11.005 -8.807 -19.466 1.00 0.00 C ATOM 480 C GLU A 39 11.486 -9.132 -20.881 1.00 0.00 C ATOM 481 O GLU A 39 12.388 -8.504 -21.400 1.00 0.00 O ATOM 482 CB GLU A 39 10.127 -7.556 -19.500 1.00 0.00 C ATOM 483 CG GLU A 39 9.465 -7.359 -18.135 1.00 0.00 C ATOM 484 CD GLU A 39 9.997 -6.076 -17.492 1.00 0.00 C ATOM 485 OE1 GLU A 39 11.063 -5.635 -17.888 1.00 0.00 O ATOM 486 OE2 GLU A 39 9.329 -5.557 -16.612 1.00 0.00 O ATOM 0 H GLU A 39 12.869 -7.908 -18.939 1.00 0.00 H new ATOM 0 HA GLU A 39 10.427 -9.646 -19.080 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.729 -6.683 -19.753 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.366 -7.654 -20.274 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.383 -7.300 -18.249 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.672 -8.214 -17.491 1.00 0.00 H new ATOM 493 N GLU A 40 10.889 -10.107 -21.511 1.00 0.00 N ATOM 494 CA GLU A 40 11.311 -10.472 -22.893 1.00 0.00 C ATOM 495 C GLU A 40 10.207 -10.102 -23.883 1.00 0.00 C ATOM 496 O GLU A 40 9.034 -10.173 -23.576 1.00 0.00 O ATOM 497 CB GLU A 40 11.574 -11.978 -22.964 1.00 0.00 C ATOM 498 CG GLU A 40 13.051 -12.253 -22.677 1.00 0.00 C ATOM 499 CD GLU A 40 13.180 -13.538 -21.858 1.00 0.00 C ATOM 500 OE1 GLU A 40 12.156 -14.084 -21.483 1.00 0.00 O ATOM 501 OE2 GLU A 40 14.301 -13.955 -21.619 1.00 0.00 O ATOM 0 H GLU A 40 10.127 -10.667 -21.128 1.00 0.00 H new ATOM 0 HA GLU A 40 12.221 -9.929 -23.148 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.949 -12.501 -22.241 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.307 -12.358 -23.950 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.603 -12.348 -23.612 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.489 -11.416 -22.132 1.00 0.00 H new ATOM 508 N HIS A 41 10.574 -9.710 -25.073 1.00 0.00 N ATOM 509 CA HIS A 41 9.547 -9.339 -26.086 1.00 0.00 C ATOM 510 C HIS A 41 9.632 -10.299 -27.277 1.00 0.00 C ATOM 511 O HIS A 41 9.542 -9.896 -28.420 1.00 0.00 O ATOM 512 CB HIS A 41 9.800 -7.910 -26.568 1.00 0.00 C ATOM 513 CG HIS A 41 9.825 -6.979 -25.388 1.00 0.00 C ATOM 514 ND1 HIS A 41 9.078 -5.813 -25.351 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.501 -7.030 -24.194 1.00 0.00 C ATOM 516 CE1 HIS A 41 9.319 -5.214 -24.170 1.00 0.00 C ATOM 517 NE2 HIS A 41 10.180 -5.914 -23.426 1.00 0.00 N ATOM 0 H HIS A 41 11.541 -9.631 -25.387 1.00 0.00 H new ATOM 0 HA HIS A 41 8.556 -9.403 -25.637 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.747 -7.859 -27.105 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.020 -7.607 -27.267 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.179 -7.816 -23.896 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.871 -4.281 -23.861 1.00 0.00 H new ATOM 0 HE2 HIS A 41 10.527 -5.681 -22.496 1.00 0.00 H new ATOM 525 N GLY A 42 9.801 -11.567 -27.019 1.00 0.00 N ATOM 526 CA GLY A 42 9.885 -12.554 -28.134 1.00 0.00 C ATOM 527 C GLY A 42 10.859 -12.057 -29.205 1.00 0.00 C ATOM 528 O GLY A 42 10.638 -12.234 -30.386 1.00 0.00 O ATOM 0 H GLY A 42 9.885 -11.963 -26.083 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.215 -13.520 -27.751 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.898 -12.705 -28.571 1.00 0.00 H new ATOM 532 N GLU A 43 11.936 -11.441 -28.802 1.00 0.00 N ATOM 533 CA GLU A 43 12.927 -10.938 -29.799 1.00 0.00 C ATOM 534 C GLU A 43 13.812 -9.878 -29.145 1.00 0.00 C ATOM 535 O GLU A 43 15.020 -9.900 -29.264 1.00 0.00 O ATOM 536 CB GLU A 43 12.189 -10.320 -30.990 1.00 0.00 C ATOM 537 CG GLU A 43 12.324 -11.240 -32.205 1.00 0.00 C ATOM 538 CD GLU A 43 12.839 -10.436 -33.400 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.588 -9.241 -33.437 1.00 0.00 O ATOM 540 OE2 GLU A 43 13.474 -11.027 -34.258 1.00 0.00 O ATOM 0 H GLU A 43 12.174 -11.264 -27.826 1.00 0.00 H new ATOM 0 HA GLU A 43 13.544 -11.767 -30.146 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.137 -10.176 -30.745 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.601 -9.337 -31.217 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.009 -12.058 -31.981 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.360 -11.689 -32.444 1.00 0.00 H new ATOM 547 N TRP A 44 13.214 -8.952 -28.454 1.00 0.00 N ATOM 548 CA TRP A 44 14.006 -7.884 -27.783 1.00 0.00 C ATOM 549 C TRP A 44 13.583 -7.799 -26.317 1.00 0.00 C ATOM 550 O TRP A 44 12.438 -7.532 -26.007 1.00 0.00 O ATOM 551 CB TRP A 44 13.739 -6.542 -28.468 1.00 0.00 C ATOM 552 CG TRP A 44 14.700 -6.355 -29.599 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.634 -6.998 -30.788 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.863 -5.479 -29.669 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.683 -6.573 -31.584 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.469 -5.637 -30.940 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.446 -4.573 -28.766 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.611 -4.922 -31.299 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.596 -3.851 -29.124 1.00 0.00 C ATOM 560 CH2 TRP A 44 18.177 -4.025 -30.389 1.00 0.00 C ATOM 0 H TRP A 44 12.204 -8.887 -28.323 1.00 0.00 H new ATOM 0 HA TRP A 44 15.069 -8.117 -27.849 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.715 -6.509 -28.839 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.844 -5.729 -27.750 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.885 -7.724 -31.069 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.855 -6.910 -32.531 1.00 0.00 H new ATOM 0 HE3 TRP A 44 16.006 -4.431 -27.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.055 -5.060 -32.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 18.035 -3.158 -28.422 1.00 0.00 H new ATOM 0 HH2 TRP A 44 19.061 -3.466 -30.659 1.00 0.00 H new ATOM 571 N TRP A 45 14.492 -8.016 -25.409 1.00 0.00 N ATOM 572 CA TRP A 45 14.131 -7.940 -23.966 1.00 0.00 C ATOM 573 C TRP A 45 14.844 -6.752 -23.327 1.00 0.00 C ATOM 574 O TRP A 45 15.757 -6.183 -23.890 1.00 0.00 O ATOM 575 CB TRP A 45 14.566 -9.218 -23.239 1.00 0.00 C ATOM 576 CG TRP A 45 14.837 -10.319 -24.214 1.00 0.00 C ATOM 577 CD1 TRP A 45 14.109 -10.582 -25.325 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.899 -11.315 -24.175 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.659 -11.675 -25.969 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.764 -12.163 -25.299 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.956 -11.561 -23.281 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.648 -13.218 -25.527 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.848 -12.621 -23.508 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.693 -13.449 -24.628 1.00 0.00 C ATOM 0 H TRP A 45 15.468 -8.242 -25.603 1.00 0.00 H new ATOM 0 HA TRP A 45 13.050 -7.825 -23.883 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.461 -9.020 -22.650 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.788 -9.528 -22.541 1.00 0.00 H new ATOM 0 HD1 TRP A 45 13.242 -10.029 -25.654 1.00 0.00 H new ATOM 0 HE1 TRP A 45 14.293 -12.073 -26.834 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.083 -10.930 -22.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.526 -13.852 -26.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.658 -12.799 -22.816 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.380 -14.265 -24.796 1.00 0.00 H new ATOM 595 N LYS A 46 14.445 -6.392 -22.142 1.00 0.00 N ATOM 596 CA LYS A 46 15.108 -5.260 -21.443 1.00 0.00 C ATOM 597 C LYS A 46 15.896 -5.822 -20.262 1.00 0.00 C ATOM 598 O LYS A 46 15.339 -6.392 -19.345 1.00 0.00 O ATOM 599 CB LYS A 46 14.056 -4.269 -20.942 1.00 0.00 C ATOM 600 CG LYS A 46 14.636 -2.853 -20.967 1.00 0.00 C ATOM 601 CD LYS A 46 13.565 -1.857 -20.523 1.00 0.00 C ATOM 602 CE LYS A 46 14.117 -0.982 -19.395 1.00 0.00 C ATOM 603 NZ LYS A 46 14.681 0.272 -19.970 1.00 0.00 N ATOM 0 H LYS A 46 13.685 -6.835 -21.625 1.00 0.00 H new ATOM 0 HA LYS A 46 15.777 -4.738 -22.127 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.166 -4.320 -21.569 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.748 -4.530 -19.929 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.501 -2.791 -20.307 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.982 -2.608 -21.971 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.261 -1.235 -21.365 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.677 -2.389 -20.183 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.326 -0.745 -18.684 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.888 -1.522 -18.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.403 0.655 -19.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.114 0.067 -20.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.920 0.971 -20.092 1.00 0.00 H new ATOM 617 N ALA A 47 17.189 -5.684 -20.289 1.00 0.00 N ATOM 618 CA ALA A 47 18.018 -6.230 -19.181 1.00 0.00 C ATOM 619 C ALA A 47 18.736 -5.100 -18.446 1.00 0.00 C ATOM 620 O ALA A 47 18.506 -3.933 -18.691 1.00 0.00 O ATOM 621 CB ALA A 47 19.056 -7.194 -19.760 1.00 0.00 C ATOM 0 H ALA A 47 17.709 -5.216 -21.031 1.00 0.00 H new ATOM 0 HA ALA A 47 17.370 -6.753 -18.477 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.667 -7.598 -18.953 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.548 -8.010 -20.274 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.693 -6.661 -20.466 1.00 0.00 H new ATOM 627 N LYS A 48 19.617 -5.450 -17.551 1.00 0.00 N ATOM 628 CA LYS A 48 20.374 -4.414 -16.793 1.00 0.00 C ATOM 629 C LYS A 48 21.801 -4.913 -16.553 1.00 0.00 C ATOM 630 O LYS A 48 22.056 -6.101 -16.544 1.00 0.00 O ATOM 631 CB LYS A 48 19.684 -4.147 -15.454 1.00 0.00 C ATOM 632 CG LYS A 48 19.893 -5.345 -14.529 1.00 0.00 C ATOM 633 CD LYS A 48 19.485 -4.966 -13.103 1.00 0.00 C ATOM 634 CE LYS A 48 20.703 -5.061 -12.183 1.00 0.00 C ATOM 635 NZ LYS A 48 20.794 -3.828 -11.352 1.00 0.00 N ATOM 0 H LYS A 48 19.847 -6.414 -17.310 1.00 0.00 H new ATOM 0 HA LYS A 48 20.403 -3.487 -17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.090 -3.245 -14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.619 -3.974 -15.609 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.301 -6.193 -14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.938 -5.656 -14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.081 -3.954 -13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.696 -5.630 -12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.621 -5.939 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.611 -5.182 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.622 -3.892 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.891 -2.998 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.932 -3.732 -10.778 1.00 0.00 H new ATOM 649 N SER A 49 22.740 -4.021 -16.382 1.00 0.00 N ATOM 650 CA SER A 49 24.149 -4.468 -16.174 1.00 0.00 C ATOM 651 C SER A 49 24.460 -4.556 -14.678 1.00 0.00 C ATOM 652 O SER A 49 24.263 -3.613 -13.938 1.00 0.00 O ATOM 653 CB SER A 49 25.100 -3.466 -16.831 1.00 0.00 C ATOM 654 OG SER A 49 24.346 -2.474 -17.512 1.00 0.00 O ATOM 0 H SER A 49 22.595 -3.011 -16.377 1.00 0.00 H new ATOM 0 HA SER A 49 24.280 -5.453 -16.623 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.734 -3.001 -16.076 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.760 -3.980 -17.530 1.00 0.00 H new ATOM 0 HG SER A 49 24.955 -1.831 -17.932 1.00 0.00 H new ATOM 660 N LEU A 50 24.948 -5.678 -14.226 1.00 0.00 N ATOM 661 CA LEU A 50 25.274 -5.813 -12.779 1.00 0.00 C ATOM 662 C LEU A 50 26.473 -4.920 -12.443 1.00 0.00 C ATOM 663 O LEU A 50 26.791 -4.696 -11.292 1.00 0.00 O ATOM 664 CB LEU A 50 25.620 -7.271 -12.465 1.00 0.00 C ATOM 665 CG LEU A 50 24.481 -8.178 -12.935 1.00 0.00 C ATOM 666 CD1 LEU A 50 25.065 -9.449 -13.556 1.00 0.00 C ATOM 667 CD2 LEU A 50 23.600 -8.551 -11.742 1.00 0.00 C ATOM 0 H LEU A 50 25.135 -6.504 -14.794 1.00 0.00 H new ATOM 0 HA LEU A 50 24.414 -5.509 -12.183 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.550 -7.550 -12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.780 -7.395 -11.394 1.00 0.00 H new ATOM 0 HG LEU A 50 23.881 -7.653 -13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.254 -10.096 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.692 -9.183 -14.407 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.665 -9.975 -12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.789 -9.197 -12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.199 -9.076 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.184 -7.646 -11.300 1.00 0.00 H new ATOM 679 N LEU A 51 27.138 -4.410 -13.445 1.00 0.00 N ATOM 680 CA LEU A 51 28.317 -3.531 -13.193 1.00 0.00 C ATOM 681 C LEU A 51 27.847 -2.101 -12.927 1.00 0.00 C ATOM 682 O LEU A 51 28.153 -1.515 -11.907 1.00 0.00 O ATOM 683 CB LEU A 51 29.230 -3.544 -14.421 1.00 0.00 C ATOM 684 CG LEU A 51 30.341 -2.507 -14.241 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.310 -2.981 -13.156 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.097 -2.336 -15.560 1.00 0.00 C ATOM 0 H LEU A 51 26.915 -4.564 -14.428 1.00 0.00 H new ATOM 0 HA LEU A 51 28.863 -3.899 -12.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.662 -4.536 -14.556 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.653 -3.323 -15.319 1.00 0.00 H new ATOM 0 HG LEU A 51 29.904 -1.553 -13.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.102 -2.243 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.772 -3.104 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.748 -3.935 -13.451 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.889 -1.597 -15.433 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.535 -3.290 -15.855 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.407 -1.999 -16.334 1.00 0.00 H new ATOM 698 N THR A 52 27.101 -1.539 -13.834 1.00 0.00 N ATOM 699 CA THR A 52 26.602 -0.149 -13.635 1.00 0.00 C ATOM 700 C THR A 52 25.102 -0.192 -13.346 1.00 0.00 C ATOM 701 O THR A 52 24.431 0.821 -13.319 1.00 0.00 O ATOM 702 CB THR A 52 26.860 0.676 -14.898 1.00 0.00 C ATOM 703 OG1 THR A 52 25.919 1.739 -14.967 1.00 0.00 O ATOM 704 CG2 THR A 52 26.716 -0.215 -16.131 1.00 0.00 C ATOM 0 H THR A 52 26.814 -1.982 -14.707 1.00 0.00 H new ATOM 0 HA THR A 52 27.123 0.311 -12.796 1.00 0.00 H new ATOM 0 HB THR A 52 27.870 1.085 -14.865 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.563 1.920 -14.072 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.900 0.374 -17.029 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.438 -1.030 -16.077 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.707 -0.626 -16.167 1.00 0.00 H new ATOM 712 N LYS A 53 24.574 -1.364 -13.122 1.00 0.00 N ATOM 713 CA LYS A 53 23.121 -1.491 -12.823 1.00 0.00 C ATOM 714 C LYS A 53 22.304 -0.696 -13.840 1.00 0.00 C ATOM 715 O LYS A 53 21.187 -0.299 -13.573 1.00 0.00 O ATOM 716 CB LYS A 53 22.842 -0.953 -11.420 1.00 0.00 C ATOM 717 CG LYS A 53 23.825 -1.579 -10.429 1.00 0.00 C ATOM 718 CD LYS A 53 24.759 -0.495 -9.884 1.00 0.00 C ATOM 719 CE LYS A 53 26.211 -0.961 -10.010 1.00 0.00 C ATOM 720 NZ LYS A 53 26.808 -1.097 -8.652 1.00 0.00 N ATOM 0 H LYS A 53 25.090 -2.244 -13.134 1.00 0.00 H new ATOM 0 HA LYS A 53 22.837 -2.542 -12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.940 0.133 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.818 -1.184 -11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.282 -2.051 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.405 -2.361 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 53 24.615 0.434 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 53 24.522 -0.287 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.254 -1.915 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.784 -0.246 -10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.795 -1.414 -8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.780 -0.178 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.266 -1.795 -8.103 1.00 0.00 H new ATOM 734 N LYS A 54 22.837 -0.472 -15.006 1.00 0.00 N ATOM 735 CA LYS A 54 22.068 0.282 -16.031 1.00 0.00 C ATOM 736 C LYS A 54 21.103 -0.684 -16.711 1.00 0.00 C ATOM 737 O LYS A 54 21.419 -1.837 -16.917 1.00 0.00 O ATOM 738 CB LYS A 54 23.027 0.872 -17.066 1.00 0.00 C ATOM 739 CG LYS A 54 22.781 2.377 -17.189 1.00 0.00 C ATOM 740 CD LYS A 54 22.096 2.675 -18.525 1.00 0.00 C ATOM 741 CE LYS A 54 22.315 4.143 -18.894 1.00 0.00 C ATOM 742 NZ LYS A 54 21.520 4.473 -20.110 1.00 0.00 N ATOM 0 H LYS A 54 23.767 -0.777 -15.293 1.00 0.00 H new ATOM 0 HA LYS A 54 21.515 1.097 -15.563 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.059 0.684 -16.770 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.879 0.388 -18.032 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.158 2.723 -16.364 1.00 0.00 H new ATOM 0 HG3 LYS A 54 23.726 2.917 -17.124 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.499 2.029 -19.305 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.029 2.462 -18.455 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.017 4.786 -18.066 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.373 4.329 -19.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.668 5.471 -20.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.825 3.868 -20.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.511 4.310 -19.920 1.00 0.00 H new ATOM 756 N GLU A 55 19.932 -0.235 -17.061 1.00 0.00 N ATOM 757 CA GLU A 55 18.965 -1.151 -17.725 1.00 0.00 C ATOM 758 C GLU A 55 18.603 -0.595 -19.103 1.00 0.00 C ATOM 759 O GLU A 55 18.592 0.601 -19.317 1.00 0.00 O ATOM 760 CB GLU A 55 17.701 -1.271 -16.870 1.00 0.00 C ATOM 761 CG GLU A 55 17.054 0.109 -16.719 1.00 0.00 C ATOM 762 CD GLU A 55 16.678 0.337 -15.253 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.769 -0.606 -14.485 1.00 0.00 O ATOM 764 OE2 GLU A 55 16.306 1.451 -14.925 1.00 0.00 O ATOM 0 H GLU A 55 19.604 0.720 -16.918 1.00 0.00 H new ATOM 0 HA GLU A 55 19.417 -2.137 -17.838 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.000 -1.964 -17.334 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.949 -1.677 -15.890 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.743 0.884 -17.054 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.167 0.178 -17.348 1.00 0.00 H new ATOM 771 N GLY A 56 18.311 -1.454 -20.040 1.00 0.00 N ATOM 772 CA GLY A 56 17.955 -0.974 -21.404 1.00 0.00 C ATOM 773 C GLY A 56 17.399 -2.133 -22.224 1.00 0.00 C ATOM 774 O GLY A 56 17.071 -3.179 -21.702 1.00 0.00 O ATOM 0 H GLY A 56 18.304 -2.467 -19.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.217 -0.175 -21.338 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.834 -0.557 -21.895 1.00 0.00 H new ATOM 778 N PHE A 57 17.295 -1.955 -23.509 1.00 0.00 N ATOM 779 CA PHE A 57 16.762 -3.048 -24.366 1.00 0.00 C ATOM 780 C PHE A 57 17.928 -3.828 -24.976 1.00 0.00 C ATOM 781 O PHE A 57 18.875 -3.261 -25.483 1.00 0.00 O ATOM 782 CB PHE A 57 15.892 -2.460 -25.479 1.00 0.00 C ATOM 783 CG PHE A 57 14.438 -2.538 -25.079 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.878 -3.768 -24.714 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.650 -1.380 -25.072 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.530 -3.841 -24.342 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.302 -1.453 -24.702 1.00 0.00 C ATOM 788 CZ PHE A 57 11.742 -2.683 -24.337 1.00 0.00 C ATOM 0 H PHE A 57 17.555 -1.101 -24.003 1.00 0.00 H new ATOM 0 HA PHE A 57 16.154 -3.719 -23.760 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.173 -1.424 -25.665 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.054 -3.006 -26.408 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.486 -4.661 -24.719 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.082 -0.431 -25.352 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.098 -4.790 -24.059 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.694 -0.560 -24.698 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.702 -2.739 -24.051 1.00 0.00 H new ATOM 798 N ILE A 58 17.859 -5.129 -24.931 1.00 0.00 N ATOM 799 CA ILE A 58 18.952 -5.963 -25.507 1.00 0.00 C ATOM 800 C ILE A 58 18.348 -6.948 -26.506 1.00 0.00 C ATOM 801 O ILE A 58 17.288 -7.495 -26.276 1.00 0.00 O ATOM 802 CB ILE A 58 19.645 -6.740 -24.383 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.615 -7.590 -23.635 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.296 -5.755 -23.409 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.330 -8.720 -22.891 1.00 0.00 C ATOM 0 H ILE A 58 17.088 -5.654 -24.518 1.00 0.00 H new ATOM 0 HA ILE A 58 19.680 -5.325 -26.009 1.00 0.00 H new ATOM 0 HB ILE A 58 20.409 -7.390 -24.810 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.059 -6.971 -22.931 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.890 -8.003 -24.337 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.789 -6.307 -22.609 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.031 -5.151 -23.940 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.531 -5.105 -22.984 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.597 -9.326 -22.358 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.866 -9.344 -23.606 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.037 -8.296 -22.178 1.00 0.00 H new ATOM 817 N PRO A 59 19.027 -7.182 -27.639 1.00 0.00 N ATOM 818 CA PRO A 59 18.528 -8.106 -28.657 1.00 0.00 C ATOM 819 C PRO A 59 18.716 -9.558 -28.209 1.00 0.00 C ATOM 820 O PRO A 59 19.528 -9.842 -27.351 1.00 0.00 O ATOM 821 CB PRO A 59 19.400 -7.807 -29.872 1.00 0.00 C ATOM 822 CG PRO A 59 20.666 -7.247 -29.311 1.00 0.00 C ATOM 823 CD PRO A 59 20.315 -6.573 -28.010 1.00 0.00 C ATOM 0 HA PRO A 59 17.463 -7.982 -28.854 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.591 -8.710 -30.453 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.915 -7.095 -30.540 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.399 -8.038 -29.150 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.113 -6.535 -30.005 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.076 -6.750 -27.249 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.228 -5.493 -28.129 1.00 0.00 H new ATOM 831 N SER A 60 17.986 -10.482 -28.765 1.00 0.00 N ATOM 832 CA SER A 60 18.158 -11.896 -28.331 1.00 0.00 C ATOM 833 C SER A 60 19.231 -12.572 -29.188 1.00 0.00 C ATOM 834 O SER A 60 19.206 -13.769 -29.400 1.00 0.00 O ATOM 835 CB SER A 60 16.833 -12.644 -28.468 1.00 0.00 C ATOM 836 OG SER A 60 16.464 -12.705 -29.837 1.00 0.00 O ATOM 0 H SER A 60 17.287 -10.324 -29.491 1.00 0.00 H new ATOM 0 HA SER A 60 18.471 -11.916 -27.287 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.927 -13.651 -28.061 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.057 -12.139 -27.893 1.00 0.00 H new ATOM 0 HG SER A 60 15.924 -11.920 -30.066 1.00 0.00 H new ATOM 842 N ASN A 61 20.177 -11.818 -29.680 1.00 0.00 N ATOM 843 CA ASN A 61 21.251 -12.426 -30.516 1.00 0.00 C ATOM 844 C ASN A 61 22.603 -11.782 -30.183 1.00 0.00 C ATOM 845 O ASN A 61 23.622 -12.148 -30.732 1.00 0.00 O ATOM 846 CB ASN A 61 20.935 -12.204 -31.994 1.00 0.00 C ATOM 847 CG ASN A 61 19.431 -12.367 -32.225 1.00 0.00 C ATOM 848 OD1 ASN A 61 18.839 -13.335 -31.792 1.00 0.00 O ATOM 849 ND2 ASN A 61 18.784 -11.453 -32.896 1.00 0.00 N ATOM 0 H ASN A 61 20.252 -10.811 -29.540 1.00 0.00 H new ATOM 0 HA ASN A 61 21.302 -13.495 -30.308 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.255 -11.208 -32.299 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.487 -12.917 -32.606 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.782 -11.552 -33.056 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.281 -10.640 -33.260 1.00 0.00 H new ATOM 856 N TYR A 62 22.623 -10.825 -29.294 1.00 0.00 N ATOM 857 CA TYR A 62 23.916 -10.168 -28.943 1.00 0.00 C ATOM 858 C TYR A 62 24.450 -10.731 -27.625 1.00 0.00 C ATOM 859 O TYR A 62 25.641 -10.733 -27.383 1.00 0.00 O ATOM 860 CB TYR A 62 23.706 -8.660 -28.798 1.00 0.00 C ATOM 861 CG TYR A 62 23.599 -8.033 -30.168 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.596 -8.448 -31.053 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.505 -7.038 -30.555 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.500 -7.869 -32.323 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.409 -6.459 -31.825 1.00 0.00 C ATOM 866 CZ TYR A 62 23.406 -6.874 -32.710 1.00 0.00 C ATOM 867 OH TYR A 62 23.310 -6.303 -33.962 1.00 0.00 O ATOM 0 H TYR A 62 21.805 -10.471 -28.798 1.00 0.00 H new ATOM 0 HA TYR A 62 24.637 -10.363 -29.737 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.801 -8.462 -28.224 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.536 -8.218 -28.248 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.897 -9.215 -30.755 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.278 -6.717 -29.873 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.727 -8.190 -33.005 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.108 -5.692 -32.123 1.00 0.00 H new ATOM 0 HH TYR A 62 24.014 -5.630 -34.069 1.00 0.00 H new ATOM 877 N VAL A 63 23.589 -11.213 -26.771 1.00 0.00 N ATOM 878 CA VAL A 63 24.077 -11.772 -25.477 1.00 0.00 C ATOM 879 C VAL A 63 23.808 -13.277 -25.433 1.00 0.00 C ATOM 880 O VAL A 63 22.977 -13.793 -26.154 1.00 0.00 O ATOM 881 CB VAL A 63 23.364 -11.085 -24.312 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.521 -9.568 -24.440 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.877 -11.448 -24.341 1.00 0.00 C ATOM 0 H VAL A 63 22.579 -11.244 -26.910 1.00 0.00 H new ATOM 0 HA VAL A 63 25.149 -11.595 -25.392 1.00 0.00 H new ATOM 0 HB VAL A 63 23.802 -11.417 -23.371 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.013 -9.078 -23.609 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.580 -9.309 -24.421 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.083 -9.235 -25.381 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.367 -10.959 -23.511 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.440 -11.115 -25.282 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.764 -12.528 -24.250 1.00 0.00 H new