USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 497 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 33 TYR OH : rot 135:sc= 2.24 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -170:sc= 2.3 (180deg=0.542) USER MOD Set 2.1: A 1 ALA N :NH3+ -161:sc= 1.5 (180deg=0.361!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -0.266 K(o=1.2,f=-0.27) USER MOD Set 3.1: A 20 CYS SG : rot 160:sc= 0.127 USER MOD Set 3.2: A 24 CYS SG : rot 133:sc= -0.306 USER MOD Set 4.1: A 8 CYS SG : rot 125:sc= -2.74 USER MOD Set 4.2: A 31 GLN :FLIP amide:sc= -1.06 F(o=-4.9,f=-3.8) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -79:sc= 1.15 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0216 USER MOD Single : A 26 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.16) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 160:sc= -1.66! USER MOD Single : A 42 CYS SG : rot 1:sc= -0.208 USER MOD Single : A 45 CYS SG : rot -58:sc= -0.187 USER MOD Single : A 49 CYS SG : rot 110:sc= -0.308 USER MOD Single : A 52 SER OG : rot -62:sc= 1.18 USER MOD Single : A 55 TYR OH : rot 78:sc= 1.24 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 3.31 (180deg=2.84) USER MOD Single : A 66 SER OG : rot 108:sc= 1.27 USER MOD Single : A 67 TYR OH : rot -178:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= 0.0503 X(o=0.05,f=-0.14) USER MOD Single : A 71 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.722 -4.927 8.798 1.00 0.00 N ATOM 2 CA ALA A 1 -0.952 -4.094 7.864 1.00 0.00 C ATOM 3 C ALA A 1 -1.855 -3.401 6.834 1.00 0.00 C ATOM 4 O ALA A 1 -2.843 -3.990 6.390 1.00 0.00 O ATOM 5 CB ALA A 1 0.014 -3.150 8.558 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.152 -5.113 9.648 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.595 -4.430 9.068 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.965 -5.828 8.340 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.314 -4.773 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.550 -2.565 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.541 -2.480 9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.727 -3.727 9.147 1.00 0.00 H new ATOM 12 N TYR A 2 -1.518 -2.163 6.446 1.00 0.00 N ATOM 13 CA TYR A 2 -2.205 -1.402 5.412 1.00 0.00 C ATOM 14 C TYR A 2 -1.434 -1.550 4.112 1.00 0.00 C ATOM 15 O TYR A 2 -0.224 -1.337 4.089 1.00 0.00 O ATOM 16 CB TYR A 2 -2.339 0.063 5.824 1.00 0.00 C ATOM 17 CG TYR A 2 -3.586 0.321 6.639 1.00 0.00 C ATOM 18 CD1 TYR A 2 -3.591 0.050 8.018 1.00 0.00 C ATOM 19 CD2 TYR A 2 -4.778 0.707 5.998 1.00 0.00 C ATOM 20 CE1 TYR A 2 -4.760 0.249 8.770 1.00 0.00 C ATOM 21 CE2 TYR A 2 -5.948 0.902 6.750 1.00 0.00 C ATOM 22 CZ TYR A 2 -5.922 0.727 8.143 1.00 0.00 C ATOM 23 OH TYR A 2 -7.035 1.000 8.878 1.00 0.00 O ATOM 0 H TYR A 2 -0.736 -1.655 6.860 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.215 -1.786 5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.463 0.356 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.356 0.688 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -2.695 -0.312 8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.793 0.853 4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.765 0.035 9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.866 1.186 6.258 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.747 1.323 8.286 1.00 0.00 H new ATOM 33 N VAL A 3 -2.121 -1.992 3.059 1.00 0.00 N ATOM 34 CA VAL A 3 -1.468 -2.521 1.872 1.00 0.00 C ATOM 35 C VAL A 3 -2.116 -1.990 0.605 1.00 0.00 C ATOM 36 O VAL A 3 -3.255 -1.529 0.591 1.00 0.00 O ATOM 37 CB VAL A 3 -1.484 -4.058 1.899 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.316 -4.627 1.084 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.386 -4.608 3.323 1.00 0.00 C ATOM 0 H VAL A 3 -3.140 -1.992 3.009 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.431 -2.186 1.872 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.435 -4.364 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.346 -5.716 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.397 -4.292 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.626 -4.277 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.401 -5.698 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.456 -4.270 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.231 -4.249 3.911 1.00 0.00 H new ATOM 49 N ILE A 4 -1.343 -2.056 -0.470 1.00 0.00 N ATOM 50 CA ILE A 4 -1.764 -1.642 -1.787 1.00 0.00 C ATOM 51 C ILE A 4 -2.905 -2.535 -2.286 1.00 0.00 C ATOM 52 O ILE A 4 -3.084 -3.648 -1.794 1.00 0.00 O ATOM 53 CB ILE A 4 -0.513 -1.733 -2.696 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.416 -0.553 -3.673 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.412 -3.067 -3.432 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.168 0.764 -2.928 1.00 0.00 C ATOM 0 H ILE A 4 -0.386 -2.408 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.153 -0.624 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 4 0.344 -1.675 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.392 -0.730 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.337 -0.479 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.484 -3.073 -4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.356 -3.879 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.291 -3.203 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.104 1.582 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.990 0.951 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.766 0.696 -2.371 1.00 0.00 H new ATOM 68 N THR A 5 -3.626 -2.077 -3.310 1.00 0.00 N ATOM 69 CA THR A 5 -4.484 -2.940 -4.108 1.00 0.00 C ATOM 70 C THR A 5 -4.076 -2.861 -5.576 1.00 0.00 C ATOM 71 O THR A 5 -3.247 -3.640 -6.035 1.00 0.00 O ATOM 72 CB THR A 5 -5.961 -2.567 -3.919 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.130 -1.160 -3.980 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.506 -3.125 -2.608 1.00 0.00 C ATOM 0 H THR A 5 -3.629 -1.101 -3.605 1.00 0.00 H new ATOM 0 HA THR A 5 -4.362 -3.969 -3.771 1.00 0.00 H new ATOM 0 HB THR A 5 -6.531 -3.016 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.872 -0.762 -3.122 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.554 -2.845 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.419 -4.212 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.935 -2.718 -1.774 1.00 0.00 H new ATOM 82 N GLU A 6 -4.724 -1.956 -6.308 1.00 0.00 N ATOM 83 CA GLU A 6 -4.940 -2.109 -7.738 1.00 0.00 C ATOM 84 C GLU A 6 -5.185 -0.751 -8.413 1.00 0.00 C ATOM 85 O GLU A 6 -4.331 -0.330 -9.191 1.00 0.00 O ATOM 86 CB GLU A 6 -6.010 -3.179 -7.968 1.00 0.00 C ATOM 87 CG GLU A 6 -6.437 -3.387 -9.427 1.00 0.00 C ATOM 88 CD GLU A 6 -5.855 -4.683 -9.989 1.00 0.00 C ATOM 89 OE1 GLU A 6 -4.630 -4.687 -10.234 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.619 -5.667 -10.114 1.00 0.00 O ATOM 0 H GLU A 6 -5.113 -1.096 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.042 -2.476 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.640 -4.127 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.892 -2.917 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.525 -3.415 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.104 -2.543 -10.031 1.00 0.00 H new ATOM 97 N PRO A 7 -6.283 -0.020 -8.129 1.00 0.00 N ATOM 98 CA PRO A 7 -6.551 1.267 -8.773 1.00 0.00 C ATOM 99 C PRO A 7 -5.402 2.281 -8.654 1.00 0.00 C ATOM 100 O PRO A 7 -5.267 3.159 -9.500 1.00 0.00 O ATOM 101 CB PRO A 7 -7.861 1.794 -8.170 1.00 0.00 C ATOM 102 CG PRO A 7 -8.122 0.913 -6.948 1.00 0.00 C ATOM 103 CD PRO A 7 -7.404 -0.393 -7.277 1.00 0.00 C ATOM 0 HA PRO A 7 -6.643 1.121 -9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.771 2.843 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.680 1.726 -8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.730 1.366 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.189 0.754 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.059 -0.890 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.070 -1.089 -7.788 1.00 0.00 H new ATOM 111 N CYS A 8 -4.572 2.149 -7.616 1.00 0.00 N ATOM 112 CA CYS A 8 -3.324 2.881 -7.430 1.00 0.00 C ATOM 113 C CYS A 8 -2.408 2.834 -8.673 1.00 0.00 C ATOM 114 O CYS A 8 -1.760 3.829 -9.006 1.00 0.00 O ATOM 115 CB CYS A 8 -2.647 2.270 -6.228 1.00 0.00 C ATOM 116 SG CYS A 8 -0.948 2.787 -5.906 1.00 0.00 S ATOM 0 H CYS A 8 -4.763 1.501 -6.852 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.534 3.940 -7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.246 2.500 -5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.657 1.186 -6.346 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.856 3.246 -4.693 1.00 0.00 H new ATOM 121 N ILE A 9 -2.333 1.682 -9.349 1.00 0.00 N ATOM 122 CA ILE A 9 -1.374 1.405 -10.416 1.00 0.00 C ATOM 123 C ILE A 9 -1.337 2.524 -11.463 1.00 0.00 C ATOM 124 O ILE A 9 -2.377 3.059 -11.842 1.00 0.00 O ATOM 125 CB ILE A 9 -1.618 0.000 -10.989 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.260 -1.013 -9.889 1.00 0.00 C ATOM 127 CG2 ILE A 9 -0.781 -0.281 -12.246 1.00 0.00 C ATOM 128 CD1 ILE A 9 -1.659 -2.439 -10.252 1.00 0.00 C ATOM 0 H ILE A 9 -2.957 0.897 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.366 1.398 -10.001 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.662 -0.081 -11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.187 -0.976 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.755 -0.726 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.994 -1.287 -12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.033 0.444 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.279 -0.199 -12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.383 -3.112 -9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.736 -2.486 -10.412 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.144 -2.740 -11.164 1.00 0.00 H new ATOM 140 N GLY A 10 -0.135 2.913 -11.907 1.00 0.00 N ATOM 141 CA GLY A 10 0.048 4.031 -12.815 1.00 0.00 C ATOM 142 C GLY A 10 0.182 5.381 -12.102 1.00 0.00 C ATOM 143 O GLY A 10 0.780 6.294 -12.667 1.00 0.00 O ATOM 0 H GLY A 10 0.736 2.453 -11.640 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.939 3.857 -13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.798 4.074 -13.501 1.00 0.00 H new ATOM 216 N CYS A 16 1.501 9.269 -0.489 1.00 0.00 N ATOM 217 CA CYS A 16 1.652 8.121 0.401 1.00 0.00 C ATOM 218 C CYS A 16 3.130 7.895 0.751 1.00 0.00 C ATOM 219 O CYS A 16 3.474 7.638 1.904 1.00 0.00 O ATOM 220 CB CYS A 16 1.018 6.888 -0.189 1.00 0.00 C ATOM 221 SG CYS A 16 1.683 6.295 -1.770 1.00 0.00 S ATOM 0 HA CYS A 16 1.125 8.337 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.105 6.081 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.046 7.085 -0.322 1.00 0.00 H new ATOM 0 HG CYS A 16 1.036 5.231 -2.141 1.00 0.00 H new ATOM 226 N VAL A 17 4.007 8.071 -0.239 1.00 0.00 N ATOM 227 CA VAL A 17 5.450 7.971 -0.076 1.00 0.00 C ATOM 228 C VAL A 17 6.000 8.892 1.027 1.00 0.00 C ATOM 229 O VAL A 17 6.923 8.504 1.739 1.00 0.00 O ATOM 230 CB VAL A 17 6.124 8.203 -1.441 1.00 0.00 C ATOM 231 CG1 VAL A 17 5.969 9.646 -1.949 1.00 0.00 C ATOM 232 CG2 VAL A 17 7.607 7.808 -1.407 1.00 0.00 C ATOM 0 H VAL A 17 3.724 8.291 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 17 5.691 6.966 0.270 1.00 0.00 H new ATOM 0 HB VAL A 17 5.602 7.556 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.465 9.747 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.910 9.882 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.422 10.334 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.053 7.984 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.126 8.407 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.697 6.752 -1.152 1.00 0.00 H new ATOM 242 N GLU A 18 5.474 10.114 1.165 1.00 0.00 N ATOM 243 CA GLU A 18 6.066 11.124 2.036 1.00 0.00 C ATOM 244 C GLU A 18 5.734 10.841 3.501 1.00 0.00 C ATOM 245 O GLU A 18 6.529 11.113 4.396 1.00 0.00 O ATOM 246 CB GLU A 18 5.556 12.531 1.677 1.00 0.00 C ATOM 247 CG GLU A 18 5.522 12.844 0.176 1.00 0.00 C ATOM 248 CD GLU A 18 4.956 14.238 -0.079 1.00 0.00 C ATOM 249 OE1 GLU A 18 5.546 15.195 0.466 1.00 0.00 O ATOM 250 OE2 GLU A 18 3.932 14.318 -0.794 1.00 0.00 O ATOM 0 H GLU A 18 4.633 10.425 0.679 1.00 0.00 H new ATOM 0 HA GLU A 18 7.145 11.082 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.551 12.651 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.188 13.268 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.529 12.775 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.915 12.101 -0.340 1.00 0.00 H new ATOM 257 N VAL A 19 4.500 10.394 3.749 1.00 0.00 N ATOM 258 CA VAL A 19 3.883 10.533 5.059 1.00 0.00 C ATOM 259 C VAL A 19 4.301 9.447 6.055 1.00 0.00 C ATOM 260 O VAL A 19 4.164 9.649 7.261 1.00 0.00 O ATOM 261 CB VAL A 19 2.353 10.617 4.916 1.00 0.00 C ATOM 262 CG1 VAL A 19 1.955 11.833 4.067 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.723 9.351 4.315 1.00 0.00 C ATOM 0 H VAL A 19 3.912 9.933 3.055 1.00 0.00 H new ATOM 0 HA VAL A 19 4.252 11.465 5.486 1.00 0.00 H new ATOM 0 HB VAL A 19 1.966 10.720 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.869 11.875 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.315 12.744 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.398 11.745 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.643 9.481 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.134 9.177 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.944 8.496 4.954 1.00 0.00 H new ATOM 273 N CYS A 20 4.729 8.275 5.577 1.00 0.00 N ATOM 274 CA CYS A 20 4.756 7.080 6.411 1.00 0.00 C ATOM 275 C CYS A 20 5.813 7.146 7.526 1.00 0.00 C ATOM 276 O CYS A 20 7.006 7.214 7.229 1.00 0.00 O ATOM 277 CB CYS A 20 4.911 5.858 5.552 1.00 0.00 C ATOM 278 SG CYS A 20 5.080 4.284 6.430 1.00 0.00 S ATOM 0 H CYS A 20 5.059 8.133 4.622 1.00 0.00 H new ATOM 0 HA CYS A 20 3.800 7.019 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.047 5.791 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.787 5.993 4.918 1.00 0.00 H new ATOM 0 HG CYS A 20 4.782 3.305 5.628 1.00 0.00 H new ATOM 283 N PRO A 21 5.403 7.072 8.810 1.00 0.00 N ATOM 284 CA PRO A 21 6.291 7.091 9.967 1.00 0.00 C ATOM 285 C PRO A 21 7.507 6.164 9.887 1.00 0.00 C ATOM 286 O PRO A 21 8.507 6.433 10.548 1.00 0.00 O ATOM 287 CB PRO A 21 5.415 6.686 11.157 1.00 0.00 C ATOM 288 CG PRO A 21 4.044 7.227 10.773 1.00 0.00 C ATOM 289 CD PRO A 21 4.019 7.006 9.264 1.00 0.00 C ATOM 0 HA PRO A 21 6.727 8.087 10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.398 5.605 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.774 7.122 12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.240 6.690 11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.935 8.280 11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.577 6.039 9.021 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.413 7.766 8.771 1.00 0.00 H new ATOM 297 N VAL A 22 7.397 5.049 9.158 1.00 0.00 N ATOM 298 CA VAL A 22 8.439 4.032 9.062 1.00 0.00 C ATOM 299 C VAL A 22 8.924 3.869 7.615 1.00 0.00 C ATOM 300 O VAL A 22 9.520 2.842 7.290 1.00 0.00 O ATOM 301 CB VAL A 22 7.927 2.713 9.683 1.00 0.00 C ATOM 302 CG1 VAL A 22 7.785 2.846 11.207 1.00 0.00 C ATOM 303 CG2 VAL A 22 6.586 2.269 9.085 1.00 0.00 C ATOM 0 H VAL A 22 6.566 4.828 8.610 1.00 0.00 H new ATOM 0 HA VAL A 22 9.313 4.347 9.631 1.00 0.00 H new ATOM 0 HB VAL A 22 8.671 1.951 9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.423 1.905 11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.755 3.086 11.643 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.076 3.641 11.438 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.269 1.338 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.835 3.039 9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.699 2.114 8.012 1.00 0.00 H new ATOM 313 N ASP A 23 8.667 4.864 6.750 1.00 0.00 N ATOM 314 CA ASP A 23 9.241 4.987 5.408 1.00 0.00 C ATOM 315 C ASP A 23 8.977 3.770 4.508 1.00 0.00 C ATOM 316 O ASP A 23 9.634 3.599 3.482 1.00 0.00 O ATOM 317 CB ASP A 23 10.755 5.266 5.497 1.00 0.00 C ATOM 318 CG ASP A 23 11.101 6.511 6.301 1.00 0.00 C ATOM 319 OD1 ASP A 23 11.129 7.596 5.683 1.00 0.00 O ATOM 320 OD2 ASP A 23 11.364 6.349 7.512 1.00 0.00 O ATOM 0 H ASP A 23 8.032 5.629 6.978 1.00 0.00 H new ATOM 0 HA ASP A 23 8.734 5.830 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.248 4.405 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.156 5.372 4.489 1.00 0.00 H new ATOM 325 N CYS A 24 8.025 2.898 4.854 1.00 0.00 N ATOM 326 CA CYS A 24 8.004 1.541 4.314 1.00 0.00 C ATOM 327 C CYS A 24 7.261 1.417 2.980 1.00 0.00 C ATOM 328 O CYS A 24 6.773 0.337 2.643 1.00 0.00 O ATOM 329 CB CYS A 24 7.493 0.547 5.358 1.00 0.00 C ATOM 330 SG CYS A 24 5.704 0.679 5.588 1.00 0.00 S ATOM 0 H CYS A 24 7.265 3.108 5.501 1.00 0.00 H new ATOM 0 HA CYS A 24 9.038 1.286 4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.746 -0.467 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.996 0.726 6.308 1.00 0.00 H new ATOM 0 HG CYS A 24 5.176 -0.509 5.574 1.00 0.00 H new ATOM 336 N ILE A 25 7.223 2.505 2.201 1.00 0.00 N ATOM 337 CA ILE A 25 6.717 2.528 0.836 1.00 0.00 C ATOM 338 C ILE A 25 7.932 2.326 -0.068 1.00 0.00 C ATOM 339 O ILE A 25 8.882 3.105 -0.008 1.00 0.00 O ATOM 340 CB ILE A 25 5.962 3.841 0.511 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.581 3.931 1.176 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.695 3.947 -1.001 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.589 4.090 2.696 1.00 0.00 C ATOM 0 H ILE A 25 7.554 3.416 2.518 1.00 0.00 H new ATOM 0 HA ILE A 25 5.979 1.740 0.683 1.00 0.00 H new ATOM 0 HB ILE A 25 6.608 4.635 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.044 4.775 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.018 3.032 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.164 4.875 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.643 3.941 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.089 3.100 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.564 4.143 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.092 3.235 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.118 5.005 2.963 1.00 0.00 H new ATOM 355 N HIS A 26 7.927 1.269 -0.878 1.00 0.00 N ATOM 356 CA HIS A 26 9.024 0.885 -1.742 1.00 0.00 C ATOM 357 C HIS A 26 8.462 0.554 -3.120 1.00 0.00 C ATOM 358 O HIS A 26 7.253 0.444 -3.261 1.00 0.00 O ATOM 359 CB HIS A 26 9.622 -0.371 -1.143 1.00 0.00 C ATOM 360 CG HIS A 26 9.956 -0.309 0.320 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.785 0.593 0.947 1.00 0.00 N ATOM 362 CD2 HIS A 26 9.432 -1.138 1.272 1.00 0.00 C ATOM 363 CE1 HIS A 26 10.785 0.287 2.255 1.00 0.00 C ATOM 364 NE2 HIS A 26 9.977 -0.759 2.503 1.00 0.00 N ATOM 0 H HIS A 26 7.128 0.639 -0.948 1.00 0.00 H new ATOM 0 HA HIS A 26 9.766 1.678 -1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.924 -1.193 -1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.531 -0.615 -1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.727 -1.939 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.357 0.811 3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.797 -1.191 3.410 1.00 0.00 H new ATOM 372 N GLU A 27 9.292 0.364 -4.144 1.00 0.00 N ATOM 373 CA GLU A 27 8.777 0.213 -5.495 1.00 0.00 C ATOM 374 C GLU A 27 8.336 -1.218 -5.811 1.00 0.00 C ATOM 375 O GLU A 27 8.866 -2.184 -5.260 1.00 0.00 O ATOM 376 CB GLU A 27 9.813 0.675 -6.517 1.00 0.00 C ATOM 377 CG GLU A 27 10.001 2.195 -6.543 1.00 0.00 C ATOM 378 CD GLU A 27 9.037 2.850 -7.526 1.00 0.00 C ATOM 379 OE1 GLU A 27 7.817 2.581 -7.455 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.508 3.578 -8.427 1.00 0.00 O ATOM 0 H GLU A 27 10.307 0.312 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 27 7.890 0.843 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.769 0.201 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.512 0.336 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.840 2.602 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.027 2.433 -6.822 1.00 0.00 H new ATOM 387 N GLY A 28 7.404 -1.327 -6.759 1.00 0.00 N ATOM 388 CA GLY A 28 7.112 -2.522 -7.531 1.00 0.00 C ATOM 389 C GLY A 28 7.552 -2.317 -8.978 1.00 0.00 C ATOM 390 O GLY A 28 8.324 -1.405 -9.267 1.00 0.00 O ATOM 0 H GLY A 28 6.806 -0.542 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.629 -3.380 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.045 -2.740 -7.492 1.00 0.00 H new ATOM 394 N GLU A 29 7.051 -3.156 -9.888 1.00 0.00 N ATOM 395 CA GLU A 29 7.338 -3.109 -11.307 1.00 0.00 C ATOM 396 C GLU A 29 7.012 -1.728 -11.886 1.00 0.00 C ATOM 397 O GLU A 29 7.908 -0.997 -12.303 1.00 0.00 O ATOM 398 CB GLU A 29 6.537 -4.220 -11.997 1.00 0.00 C ATOM 399 CG GLU A 29 6.860 -5.627 -11.463 1.00 0.00 C ATOM 400 CD GLU A 29 5.849 -6.101 -10.431 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.754 -5.462 -9.361 1.00 0.00 O ATOM 402 OE2 GLU A 29 5.109 -7.065 -10.718 1.00 0.00 O ATOM 0 H GLU A 29 6.412 -3.911 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 29 8.402 -3.273 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.473 -4.025 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.737 -4.191 -13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.884 -6.332 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.855 -5.624 -11.018 1.00 0.00 H new ATOM 409 N ASP A 30 5.721 -1.381 -11.909 1.00 0.00 N ATOM 410 CA ASP A 30 5.268 -0.020 -12.144 1.00 0.00 C ATOM 411 C ASP A 30 5.182 0.677 -10.795 1.00 0.00 C ATOM 412 O ASP A 30 5.973 1.562 -10.479 1.00 0.00 O ATOM 413 CB ASP A 30 3.890 -0.018 -12.827 1.00 0.00 C ATOM 414 CG ASP A 30 3.281 1.385 -12.796 1.00 0.00 C ATOM 415 OD1 ASP A 30 3.940 2.298 -13.333 1.00 0.00 O ATOM 416 OD2 ASP A 30 2.195 1.531 -12.190 1.00 0.00 O ATOM 0 H ASP A 30 4.962 -2.046 -11.763 1.00 0.00 H new ATOM 0 HA ASP A 30 5.965 0.499 -12.802 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.988 -0.356 -13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.226 -0.721 -12.323 1.00 0.00 H new ATOM 421 N GLN A 31 4.180 0.271 -10.020 1.00 0.00 N ATOM 422 CA GLN A 31 3.640 1.034 -8.915 1.00 0.00 C ATOM 423 C GLN A 31 4.350 0.696 -7.613 1.00 0.00 C ATOM 424 O GLN A 31 4.818 -0.425 -7.432 1.00 0.00 O ATOM 425 CB GLN A 31 2.146 0.718 -8.850 1.00 0.00 C ATOM 426 CG GLN A 31 1.389 1.469 -7.754 1.00 0.00 C ATOM 427 CD GLN A 31 1.606 2.979 -7.816 1.00 0.00 C ATOM 428 OE1 GLN A 31 2.059 3.577 -6.714 1.00 0.00 O flip ATOM 429 NE2 GLN A 31 1.419 3.596 -8.860 1.00 0.00 N flip ATOM 0 H GLN A 31 3.712 -0.626 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 31 3.794 2.102 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.695 0.954 -9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.020 -0.353 -8.693 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.324 1.255 -7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.708 1.100 -6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.071 3.108 -9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.611 4.597 -8.902 1.00 0.00 H new ATOM 438 N TYR A 32 4.404 1.659 -6.692 1.00 0.00 N ATOM 439 CA TYR A 32 4.935 1.403 -5.371 1.00 0.00 C ATOM 440 C TYR A 32 4.023 0.491 -4.551 1.00 0.00 C ATOM 441 O TYR A 32 2.802 0.521 -4.683 1.00 0.00 O ATOM 442 CB TYR A 32 5.189 2.683 -4.579 1.00 0.00 C ATOM 443 CG TYR A 32 6.148 3.711 -5.151 1.00 0.00 C ATOM 444 CD1 TYR A 32 5.696 4.662 -6.086 1.00 0.00 C ATOM 445 CD2 TYR A 32 7.419 3.868 -4.564 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.520 5.743 -6.451 1.00 0.00 C ATOM 447 CE2 TYR A 32 8.233 4.957 -4.915 1.00 0.00 C ATOM 448 CZ TYR A 32 7.788 5.893 -5.862 1.00 0.00 C ATOM 449 OH TYR A 32 8.567 6.975 -6.136 1.00 0.00 O ATOM 0 H TYR A 32 4.086 2.616 -6.844 1.00 0.00 H new ATOM 0 HA TYR A 32 5.888 0.902 -5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.228 3.175 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.559 2.396 -3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.714 4.562 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.769 3.147 -3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.178 6.458 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.203 5.075 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 32 9.408 6.908 -5.637 1.00 0.00 H new ATOM 459 N TYR A 33 4.654 -0.282 -3.671 1.00 0.00 N ATOM 460 CA TYR A 33 4.075 -1.157 -2.668 1.00 0.00 C ATOM 461 C TYR A 33 4.491 -0.684 -1.280 1.00 0.00 C ATOM 462 O TYR A 33 5.282 0.245 -1.133 1.00 0.00 O ATOM 463 CB TYR A 33 4.635 -2.562 -2.895 1.00 0.00 C ATOM 464 CG TYR A 33 4.324 -3.166 -4.244 1.00 0.00 C ATOM 465 CD1 TYR A 33 3.188 -2.765 -4.972 1.00 0.00 C ATOM 466 CD2 TYR A 33 5.228 -4.078 -4.812 1.00 0.00 C ATOM 467 CE1 TYR A 33 2.983 -3.228 -6.274 1.00 0.00 C ATOM 468 CE2 TYR A 33 5.000 -4.573 -6.104 1.00 0.00 C ATOM 469 CZ TYR A 33 3.881 -4.144 -6.836 1.00 0.00 C ATOM 470 OH TYR A 33 3.667 -4.609 -8.099 1.00 0.00 O ATOM 0 H TYR A 33 5.673 -0.311 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 33 2.988 -1.151 -2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.717 -2.529 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.244 -3.222 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.471 -2.095 -4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.097 -4.397 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.135 -2.881 -6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.686 -5.286 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 33 4.508 -4.589 -8.602 1.00 0.00 H new ATOM 480 N ILE A 34 3.968 -1.367 -0.266 1.00 0.00 N ATOM 481 CA ILE A 34 4.236 -1.107 1.140 1.00 0.00 C ATOM 482 C ILE A 34 4.785 -2.403 1.723 1.00 0.00 C ATOM 483 O ILE A 34 4.442 -3.467 1.215 1.00 0.00 O ATOM 484 CB ILE A 34 2.914 -0.698 1.827 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.436 0.654 1.274 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.044 -0.583 3.355 1.00 0.00 C ATOM 487 CD1 ILE A 34 0.934 0.880 1.440 1.00 0.00 C ATOM 0 H ILE A 34 3.323 -2.144 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 34 4.953 -0.300 1.287 1.00 0.00 H new ATOM 0 HB ILE A 34 2.194 -1.487 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.975 1.456 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.691 0.716 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.084 -0.293 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.348 -1.545 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.792 0.170 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.665 1.853 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.388 0.099 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.676 0.850 2.499 1.00 0.00 H new ATOM 499 N ASP A 35 5.602 -2.344 2.778 1.00 0.00 N ATOM 500 CA ASP A 35 5.905 -3.500 3.605 1.00 0.00 C ATOM 501 C ASP A 35 4.919 -3.577 4.782 1.00 0.00 C ATOM 502 O ASP A 35 5.022 -2.753 5.695 1.00 0.00 O ATOM 503 CB ASP A 35 7.354 -3.448 4.088 1.00 0.00 C ATOM 504 CG ASP A 35 7.720 -4.688 4.883 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.898 -5.148 5.705 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.842 -5.197 4.684 1.00 0.00 O ATOM 0 H ASP A 35 6.070 -1.488 3.078 1.00 0.00 H new ATOM 0 HA ASP A 35 5.791 -4.406 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.021 -3.354 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.501 -2.562 4.706 1.00 0.00 H new ATOM 511 N PRO A 36 3.974 -4.539 4.794 1.00 0.00 N ATOM 512 CA PRO A 36 2.998 -4.653 5.861 1.00 0.00 C ATOM 513 C PRO A 36 3.488 -5.429 7.076 1.00 0.00 C ATOM 514 O PRO A 36 2.736 -5.538 8.042 1.00 0.00 O ATOM 515 CB PRO A 36 1.783 -5.347 5.263 1.00 0.00 C ATOM 516 CG PRO A 36 2.326 -6.122 4.058 1.00 0.00 C ATOM 517 CD PRO A 36 3.697 -5.512 3.750 1.00 0.00 C ATOM 0 HA PRO A 36 2.777 -3.653 6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.315 -6.016 5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.025 -4.625 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.413 -7.185 4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.657 -6.032 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.466 -6.284 3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.696 -5.036 2.770 1.00 0.00 H new ATOM 525 N ASP A 37 4.692 -6.004 7.057 1.00 0.00 N ATOM 526 CA ASP A 37 5.285 -6.541 8.242 1.00 0.00 C ATOM 527 C ASP A 37 5.847 -5.360 9.041 1.00 0.00 C ATOM 528 O ASP A 37 5.787 -5.347 10.268 1.00 0.00 O ATOM 529 CB ASP A 37 6.380 -7.490 7.816 1.00 0.00 C ATOM 530 CG ASP A 37 5.992 -8.621 6.867 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.864 -9.151 6.970 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.870 -8.946 6.037 1.00 0.00 O ATOM 0 H ASP A 37 5.264 -6.101 6.218 1.00 0.00 H new ATOM 0 HA ASP A 37 4.573 -7.086 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.168 -6.905 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.810 -7.935 8.714 1.00 0.00 H new ATOM 537 N VAL A 38 6.408 -4.371 8.330 1.00 0.00 N ATOM 538 CA VAL A 38 6.968 -3.170 8.928 1.00 0.00 C ATOM 539 C VAL A 38 5.860 -2.189 9.314 1.00 0.00 C ATOM 540 O VAL A 38 5.888 -1.653 10.421 1.00 0.00 O ATOM 541 CB VAL A 38 7.998 -2.537 7.976 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.374 -1.122 8.429 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.253 -3.421 7.883 1.00 0.00 C ATOM 0 H VAL A 38 6.482 -4.392 7.313 1.00 0.00 H new ATOM 0 HA VAL A 38 7.489 -3.438 9.847 1.00 0.00 H new ATOM 0 HB VAL A 38 7.544 -2.464 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.103 -0.700 7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.482 -0.495 8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.804 -1.163 9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.973 -2.961 7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.699 -3.524 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.977 -4.405 7.505 1.00 0.00 H new ATOM 553 N CYS A 39 4.923 -1.903 8.403 1.00 0.00 N ATOM 554 CA CYS A 39 3.821 -0.990 8.693 1.00 0.00 C ATOM 555 C CYS A 39 3.101 -1.435 9.971 1.00 0.00 C ATOM 556 O CYS A 39 2.700 -2.589 10.105 1.00 0.00 O ATOM 557 CB CYS A 39 2.851 -0.990 7.551 1.00 0.00 C ATOM 558 SG CYS A 39 1.288 -0.118 7.861 1.00 0.00 S ATOM 0 H CYS A 39 4.909 -2.292 7.460 1.00 0.00 H new ATOM 0 HA CYS A 39 4.219 0.015 8.832 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.335 -0.538 6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.626 -2.023 7.287 1.00 0.00 H new ATOM 0 HG CYS A 39 0.729 0.186 6.728 1.00 0.00 H new ATOM 563 N ILE A 40 2.947 -0.522 10.927 1.00 0.00 N ATOM 564 CA ILE A 40 2.525 -0.861 12.279 1.00 0.00 C ATOM 565 C ILE A 40 0.998 -0.862 12.449 1.00 0.00 C ATOM 566 O ILE A 40 0.522 -0.604 13.551 1.00 0.00 O ATOM 567 CB ILE A 40 3.264 0.053 13.281 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.059 1.569 13.084 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.770 -0.247 13.238 1.00 0.00 C ATOM 570 CD1 ILE A 40 1.960 2.125 13.992 1.00 0.00 C ATOM 0 H ILE A 40 3.112 0.474 10.783 1.00 0.00 H new ATOM 0 HA ILE A 40 2.807 -1.892 12.491 1.00 0.00 H new ATOM 0 HB ILE A 40 2.820 -0.182 14.248 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.995 2.090 13.287 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.803 1.767 12.043 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.290 0.399 13.946 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.941 -1.290 13.505 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.149 -0.063 12.233 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.851 3.196 13.818 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.017 1.624 13.771 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.227 1.952 15.034 1.00 0.00 H new ATOM 582 N ASP A 41 0.219 -1.147 11.392 1.00 0.00 N ATOM 583 CA ASP A 41 -1.227 -0.892 11.393 1.00 0.00 C ATOM 584 C ASP A 41 -1.550 0.510 11.918 1.00 0.00 C ATOM 585 O ASP A 41 -2.336 0.688 12.848 1.00 0.00 O ATOM 586 CB ASP A 41 -2.011 -2.000 12.116 1.00 0.00 C ATOM 587 CG ASP A 41 -2.237 -3.191 11.212 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.817 -3.014 10.114 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.786 -4.302 11.540 1.00 0.00 O ATOM 0 H ASP A 41 0.570 -1.555 10.525 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.564 -0.919 10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.465 -2.314 13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.971 -1.609 12.453 1.00 0.00 H new ATOM 594 N CYS A 42 -0.942 1.510 11.275 1.00 0.00 N ATOM 595 CA CYS A 42 -1.244 2.919 11.494 1.00 0.00 C ATOM 596 C CYS A 42 -2.270 3.377 10.443 1.00 0.00 C ATOM 597 O CYS A 42 -2.883 2.534 9.792 1.00 0.00 O ATOM 598 CB CYS A 42 0.058 3.696 11.604 1.00 0.00 C ATOM 599 SG CYS A 42 0.552 4.907 10.355 1.00 0.00 S ATOM 0 H CYS A 42 -0.215 1.356 10.577 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.740 3.116 12.445 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.033 4.220 12.559 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.860 2.961 11.665 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.367 4.985 9.439 1.00 0.00 H new ATOM 604 N GLY A 43 -2.496 4.684 10.294 1.00 0.00 N ATOM 605 CA GLY A 43 -3.273 5.251 9.201 1.00 0.00 C ATOM 606 C GLY A 43 -2.417 6.270 8.447 1.00 0.00 C ATOM 607 O GLY A 43 -1.290 5.963 8.050 1.00 0.00 O ATOM 0 H GLY A 43 -2.137 5.385 10.942 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.600 4.462 8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.172 5.730 9.589 1.00 0.00 H new ATOM 611 N ALA A 44 -2.956 7.481 8.273 1.00 0.00 N ATOM 612 CA ALA A 44 -2.357 8.648 7.633 1.00 0.00 C ATOM 613 C ALA A 44 -2.294 8.455 6.119 1.00 0.00 C ATOM 614 O ALA A 44 -2.900 9.214 5.358 1.00 0.00 O ATOM 615 CB ALA A 44 -1.003 9.031 8.255 1.00 0.00 C ATOM 0 H ALA A 44 -3.899 7.683 8.605 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.004 9.505 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.601 9.905 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.140 9.261 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.307 8.198 8.153 1.00 0.00 H new ATOM 621 N CYS A 45 -1.553 7.438 5.686 1.00 0.00 N ATOM 622 CA CYS A 45 -1.417 7.089 4.285 1.00 0.00 C ATOM 623 C CYS A 45 -2.795 6.810 3.670 1.00 0.00 C ATOM 624 O CYS A 45 -3.130 7.384 2.639 1.00 0.00 O ATOM 625 CB CYS A 45 -0.424 5.961 4.152 1.00 0.00 C ATOM 626 SG CYS A 45 -0.912 4.403 4.926 1.00 0.00 S ATOM 0 H CYS A 45 -1.025 6.829 6.311 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.014 7.921 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.245 5.780 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.524 6.281 4.585 1.00 0.00 H new ATOM 0 HG CYS A 45 -1.130 4.597 6.193 1.00 0.00 H new ATOM 631 N GLU A 46 -3.631 5.998 4.321 1.00 0.00 N ATOM 632 CA GLU A 46 -4.977 5.697 3.845 1.00 0.00 C ATOM 633 C GLU A 46 -5.832 6.960 3.689 1.00 0.00 C ATOM 634 O GLU A 46 -6.564 7.090 2.709 1.00 0.00 O ATOM 635 CB GLU A 46 -5.658 4.608 4.697 1.00 0.00 C ATOM 636 CG GLU A 46 -5.352 4.609 6.205 1.00 0.00 C ATOM 637 CD GLU A 46 -5.887 5.832 6.937 1.00 0.00 C ATOM 638 OE1 GLU A 46 -7.040 5.765 7.404 1.00 0.00 O ATOM 639 OE2 GLU A 46 -5.126 6.822 7.019 1.00 0.00 O ATOM 0 H GLU A 46 -3.390 5.531 5.195 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.878 5.280 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.736 4.703 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.374 3.636 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.779 3.712 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.273 4.554 6.348 1.00 0.00 H new ATOM 646 N ALA A 47 -5.752 7.889 4.644 1.00 0.00 N ATOM 647 CA ALA A 47 -6.481 9.145 4.583 1.00 0.00 C ATOM 648 C ALA A 47 -6.028 9.973 3.381 1.00 0.00 C ATOM 649 O ALA A 47 -6.862 10.530 2.669 1.00 0.00 O ATOM 650 CB ALA A 47 -6.304 9.920 5.892 1.00 0.00 C ATOM 0 H ALA A 47 -5.177 7.786 5.480 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.542 8.932 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.854 10.859 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.686 9.325 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.246 10.128 6.051 1.00 0.00 H new ATOM 656 N VAL A 48 -4.712 10.093 3.167 1.00 0.00 N ATOM 657 CA VAL A 48 -4.179 10.902 2.085 1.00 0.00 C ATOM 658 C VAL A 48 -4.429 10.251 0.715 1.00 0.00 C ATOM 659 O VAL A 48 -4.687 10.952 -0.262 1.00 0.00 O ATOM 660 CB VAL A 48 -2.707 11.239 2.383 1.00 0.00 C ATOM 661 CG1 VAL A 48 -1.679 10.400 1.615 1.00 0.00 C ATOM 662 CG2 VAL A 48 -2.456 12.726 2.149 1.00 0.00 C ATOM 0 H VAL A 48 -4.001 9.634 3.737 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.711 11.852 2.026 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.557 10.982 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.673 10.713 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.813 9.347 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.820 10.543 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.412 12.957 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.678 12.973 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.098 13.311 2.807 1.00 0.00 H new ATOM 672 N CYS A 49 -4.332 8.921 0.640 1.00 0.00 N ATOM 673 CA CYS A 49 -4.453 8.169 -0.599 1.00 0.00 C ATOM 674 C CYS A 49 -5.840 8.381 -1.234 1.00 0.00 C ATOM 675 O CYS A 49 -6.852 8.202 -0.551 1.00 0.00 O ATOM 676 CB CYS A 49 -4.224 6.707 -0.319 1.00 0.00 C ATOM 677 SG CYS A 49 -4.293 5.674 -1.785 1.00 0.00 S ATOM 0 H CYS A 49 -4.164 8.332 1.456 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.703 8.525 -1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.250 6.585 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.972 6.361 0.394 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.101 5.235 -2.063 1.00 0.00 H new ATOM 682 N PRO A 50 -5.933 8.763 -2.523 1.00 0.00 N ATOM 683 CA PRO A 50 -7.207 8.917 -3.204 1.00 0.00 C ATOM 684 C PRO A 50 -8.101 7.685 -3.028 1.00 0.00 C ATOM 685 O PRO A 50 -7.752 6.585 -3.453 1.00 0.00 O ATOM 686 CB PRO A 50 -6.876 9.171 -4.679 1.00 0.00 C ATOM 687 CG PRO A 50 -5.459 9.739 -4.644 1.00 0.00 C ATOM 688 CD PRO A 50 -4.831 9.082 -3.416 1.00 0.00 C ATOM 0 HA PRO A 50 -7.775 9.746 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.924 8.252 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.577 9.873 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.908 9.496 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.466 10.825 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.281 8.183 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.121 9.754 -2.934 1.00 0.00 H new ATOM 696 N VAL A 51 -9.264 7.875 -2.395 1.00 0.00 N ATOM 697 CA VAL A 51 -10.251 6.825 -2.155 1.00 0.00 C ATOM 698 C VAL A 51 -9.657 5.676 -1.317 1.00 0.00 C ATOM 699 O VAL A 51 -10.187 4.564 -1.321 1.00 0.00 O ATOM 700 CB VAL A 51 -10.879 6.348 -3.490 1.00 0.00 C ATOM 701 CG1 VAL A 51 -12.273 5.737 -3.271 1.00 0.00 C ATOM 702 CG2 VAL A 51 -11.049 7.489 -4.508 1.00 0.00 C ATOM 0 H VAL A 51 -9.548 8.784 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.064 7.239 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.182 5.606 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.683 5.414 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.194 4.880 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.932 6.484 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.493 7.097 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.700 8.257 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.075 7.923 -4.734 1.00 0.00 H new ATOM 712 N SER A 52 -8.569 5.939 -0.581 1.00 0.00 N ATOM 713 CA SER A 52 -7.867 4.949 0.219 1.00 0.00 C ATOM 714 C SER A 52 -7.592 3.678 -0.585 1.00 0.00 C ATOM 715 O SER A 52 -7.955 2.587 -0.161 1.00 0.00 O ATOM 716 CB SER A 52 -8.645 4.665 1.506 1.00 0.00 C ATOM 717 OG SER A 52 -8.994 5.880 2.142 1.00 0.00 O ATOM 0 H SER A 52 -8.150 6.868 -0.530 1.00 0.00 H new ATOM 0 HA SER A 52 -6.894 5.352 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.545 4.094 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.042 4.054 2.178 1.00 0.00 H new ATOM 0 HG SER A 52 -8.179 6.364 2.392 1.00 0.00 H new ATOM 723 N ALA A 53 -6.941 3.805 -1.745 1.00 0.00 N ATOM 724 CA ALA A 53 -6.508 2.642 -2.516 1.00 0.00 C ATOM 725 C ALA A 53 -5.599 1.741 -1.667 1.00 0.00 C ATOM 726 O ALA A 53 -5.596 0.519 -1.833 1.00 0.00 O ATOM 727 CB ALA A 53 -5.817 3.081 -3.810 1.00 0.00 C ATOM 0 H ALA A 53 -6.704 4.702 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.386 2.059 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.502 2.201 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.512 3.666 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.945 3.689 -3.569 1.00 0.00 H new ATOM 733 N ILE A 54 -4.851 2.352 -0.740 1.00 0.00 N ATOM 734 CA ILE A 54 -4.245 1.661 0.386 1.00 0.00 C ATOM 735 C ILE A 54 -5.374 1.152 1.282 1.00 0.00 C ATOM 736 O ILE A 54 -6.028 1.943 1.962 1.00 0.00 O ATOM 737 CB ILE A 54 -3.316 2.607 1.167 1.00 0.00 C ATOM 738 CG1 ILE A 54 -2.179 3.085 0.261 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.746 1.914 2.411 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.282 4.116 0.951 1.00 0.00 C ATOM 0 H ILE A 54 -4.652 3.352 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.637 0.827 0.035 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.899 3.467 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.577 2.229 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.598 3.520 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.093 2.604 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.563 1.609 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.176 1.035 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.490 4.425 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.877 4.985 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.839 3.674 1.844 1.00 0.00 H new ATOM 752 N TYR A 55 -5.585 -0.163 1.295 1.00 0.00 N ATOM 753 CA TYR A 55 -6.602 -0.812 2.100 1.00 0.00 C ATOM 754 C TYR A 55 -5.963 -1.827 3.034 1.00 0.00 C ATOM 755 O TYR A 55 -4.891 -2.367 2.768 1.00 0.00 O ATOM 756 CB TYR A 55 -7.654 -1.454 1.199 1.00 0.00 C ATOM 757 CG TYR A 55 -8.620 -0.504 0.519 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.541 0.239 1.282 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.687 -0.460 -0.887 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.476 1.073 0.643 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.664 0.321 -1.525 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.501 1.150 -0.761 1.00 0.00 C ATOM 763 OH TYR A 55 -11.319 2.043 -1.383 1.00 0.00 O ATOM 0 H TYR A 55 -5.039 -0.815 0.732 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.105 -0.067 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.141 -2.030 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.231 -2.161 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.529 0.168 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.984 -1.029 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.173 1.653 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.771 0.284 -2.599 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.919 2.937 -1.342 1.00 0.00 H new ATOM 773 N HIS A 56 -6.620 -2.073 4.164 1.00 0.00 N ATOM 774 CA HIS A 56 -6.112 -3.013 5.138 1.00 0.00 C ATOM 775 C HIS A 56 -6.175 -4.423 4.559 1.00 0.00 C ATOM 776 O HIS A 56 -7.155 -4.783 3.911 1.00 0.00 O ATOM 777 CB HIS A 56 -6.921 -2.881 6.427 1.00 0.00 C ATOM 778 CG HIS A 56 -6.439 -3.825 7.498 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.941 -5.084 7.744 1.00 0.00 N ATOM 780 CD2 HIS A 56 -5.250 -3.715 8.169 1.00 0.00 C ATOM 781 CE1 HIS A 56 -6.058 -5.720 8.535 1.00 0.00 C ATOM 782 NE2 HIS A 56 -5.005 -4.932 8.814 1.00 0.00 N ATOM 0 H HIS A 56 -7.503 -1.632 4.421 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.069 -2.801 5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.856 -1.856 6.792 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.972 -3.078 6.217 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.820 -5.464 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.614 -2.843 8.195 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.179 -6.730 8.898 1.00 0.00 H new ATOM 790 N GLU A 57 -5.135 -5.222 4.791 1.00 0.00 N ATOM 791 CA GLU A 57 -4.904 -6.481 4.111 1.00 0.00 C ATOM 792 C GLU A 57 -6.078 -7.456 4.068 1.00 0.00 C ATOM 793 O GLU A 57 -6.164 -8.249 3.132 1.00 0.00 O ATOM 794 CB GLU A 57 -3.694 -7.134 4.771 1.00 0.00 C ATOM 795 CG GLU A 57 -3.829 -7.368 6.268 1.00 0.00 C ATOM 796 CD GLU A 57 -2.518 -7.904 6.801 1.00 0.00 C ATOM 797 OE1 GLU A 57 -2.204 -9.072 6.497 1.00 0.00 O ATOM 798 OE2 GLU A 57 -1.783 -7.108 7.415 1.00 0.00 O ATOM 0 H GLU A 57 -4.414 -4.999 5.477 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.742 -6.243 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.505 -8.091 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.820 -6.508 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.089 -6.438 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.634 -8.075 6.468 1.00 0.00 H new ATOM 805 N ASP A 58 -6.959 -7.424 5.070 1.00 0.00 N ATOM 806 CA ASP A 58 -8.109 -8.307 5.121 1.00 0.00 C ATOM 807 C ASP A 58 -9.350 -7.669 4.493 1.00 0.00 C ATOM 808 O ASP A 58 -10.177 -8.370 3.910 1.00 0.00 O ATOM 809 CB ASP A 58 -8.375 -8.749 6.557 1.00 0.00 C ATOM 810 CG ASP A 58 -9.342 -9.930 6.572 1.00 0.00 C ATOM 811 OD1 ASP A 58 -9.204 -10.797 5.675 1.00 0.00 O ATOM 812 OD2 ASP A 58 -10.212 -9.931 7.465 1.00 0.00 O ATOM 0 H ASP A 58 -6.889 -6.785 5.862 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.878 -9.191 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.438 -9.030 7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.792 -7.920 7.129 1.00 0.00 H new ATOM 817 N PHE A 59 -9.468 -6.339 4.605 1.00 0.00 N ATOM 818 CA PHE A 59 -10.505 -5.542 3.986 1.00 0.00 C ATOM 819 C PHE A 59 -10.326 -5.589 2.472 1.00 0.00 C ATOM 820 O PHE A 59 -11.296 -5.603 1.719 1.00 0.00 O ATOM 821 CB PHE A 59 -10.336 -4.100 4.460 1.00 0.00 C ATOM 822 CG PHE A 59 -10.702 -3.749 5.892 1.00 0.00 C ATOM 823 CD1 PHE A 59 -10.897 -4.733 6.882 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.781 -2.387 6.243 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.135 -4.355 8.215 1.00 0.00 C ATOM 826 CE2 PHE A 59 -11.025 -2.010 7.574 1.00 0.00 C ATOM 827 CZ PHE A 59 -11.194 -2.995 8.563 1.00 0.00 C ATOM 0 H PHE A 59 -8.814 -5.780 5.152 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.492 -5.921 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.292 -3.824 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -10.931 -3.466 3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.864 -5.779 6.616 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.653 -1.629 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.273 -5.112 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -11.083 -0.964 7.837 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.369 -2.707 9.589 1.00 0.00 H new ATOM 837 N VAL A 60 -9.063 -5.590 2.044 1.00 0.00 N ATOM 838 CA VAL A 60 -8.670 -5.914 0.686 1.00 0.00 C ATOM 839 C VAL A 60 -9.436 -7.165 0.245 1.00 0.00 C ATOM 840 O VAL A 60 -9.476 -8.133 0.998 1.00 0.00 O ATOM 841 CB VAL A 60 -7.141 -6.094 0.675 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.611 -7.040 -0.403 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.590 -4.702 0.425 1.00 0.00 C ATOM 0 H VAL A 60 -8.275 -5.360 2.649 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.916 -5.126 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.832 -6.547 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.525 -7.102 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.041 -8.031 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.888 -6.662 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.501 -4.740 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.960 -4.330 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.913 -4.034 1.224 1.00 0.00 H new ATOM 853 N PRO A 61 -10.066 -7.163 -0.938 1.00 0.00 N ATOM 854 CA PRO A 61 -10.818 -8.316 -1.399 1.00 0.00 C ATOM 855 C PRO A 61 -9.869 -9.491 -1.630 1.00 0.00 C ATOM 856 O PRO A 61 -8.712 -9.283 -1.987 1.00 0.00 O ATOM 857 CB PRO A 61 -11.511 -7.869 -2.691 1.00 0.00 C ATOM 858 CG PRO A 61 -10.752 -6.620 -3.156 1.00 0.00 C ATOM 859 CD PRO A 61 -10.070 -6.076 -1.901 1.00 0.00 C ATOM 0 HA PRO A 61 -11.556 -8.656 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.475 -8.654 -3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.563 -7.645 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.021 -6.867 -3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.431 -5.884 -3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.054 -5.748 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.607 -5.212 -1.510 1.00 0.00 H new ATOM 867 N GLU A 62 -10.349 -10.725 -1.461 1.00 0.00 N ATOM 868 CA GLU A 62 -9.662 -11.963 -1.715 1.00 0.00 C ATOM 869 C GLU A 62 -8.868 -11.903 -3.023 1.00 0.00 C ATOM 870 O GLU A 62 -7.690 -12.256 -3.061 1.00 0.00 O ATOM 871 CB GLU A 62 -10.766 -13.021 -1.731 1.00 0.00 C ATOM 872 CG GLU A 62 -11.042 -13.601 -0.335 1.00 0.00 C ATOM 873 CD GLU A 62 -11.477 -12.545 0.671 1.00 0.00 C ATOM 874 OE1 GLU A 62 -12.191 -11.612 0.244 1.00 0.00 O ATOM 875 OE2 GLU A 62 -11.035 -12.651 1.836 1.00 0.00 O ATOM 0 H GLU A 62 -11.297 -10.880 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.912 -12.192 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.682 -12.581 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.483 -13.828 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.817 -14.364 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.143 -14.096 0.031 1.00 0.00 H new ATOM 882 N GLU A 63 -9.512 -11.390 -4.073 1.00 0.00 N ATOM 883 CA GLU A 63 -8.907 -11.091 -5.363 1.00 0.00 C ATOM 884 C GLU A 63 -7.534 -10.418 -5.201 1.00 0.00 C ATOM 885 O GLU A 63 -6.544 -10.841 -5.801 1.00 0.00 O ATOM 886 CB GLU A 63 -9.905 -10.219 -6.133 1.00 0.00 C ATOM 887 CG GLU A 63 -9.491 -9.910 -7.574 1.00 0.00 C ATOM 888 CD GLU A 63 -10.621 -9.206 -8.314 1.00 0.00 C ATOM 889 OE1 GLU A 63 -11.181 -8.260 -7.718 1.00 0.00 O ATOM 890 OE2 GLU A 63 -10.925 -9.648 -9.442 1.00 0.00 O ATOM 0 H GLU A 63 -10.506 -11.165 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.709 -12.006 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.873 -10.720 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.038 -9.280 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.600 -9.282 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.231 -10.834 -8.090 1.00 0.00 H new ATOM 897 N TRP A 64 -7.470 -9.383 -4.358 1.00 0.00 N ATOM 898 CA TRP A 64 -6.288 -8.573 -4.113 1.00 0.00 C ATOM 899 C TRP A 64 -5.521 -8.973 -2.851 1.00 0.00 C ATOM 900 O TRP A 64 -4.404 -8.501 -2.655 1.00 0.00 O ATOM 901 CB TRP A 64 -6.658 -7.085 -4.230 1.00 0.00 C ATOM 902 CG TRP A 64 -7.165 -6.679 -5.592 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.810 -7.264 -6.763 1.00 0.00 C ATOM 904 CD2 TRP A 64 -8.095 -5.611 -5.967 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.454 -6.652 -7.810 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.306 -5.673 -7.376 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.758 -4.568 -5.283 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.151 -4.797 -8.062 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.509 -3.604 -5.985 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.720 -3.725 -7.369 1.00 0.00 C ATOM 0 H TRP A 64 -8.275 -9.080 -3.810 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.549 -8.772 -4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.420 -6.852 -3.487 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.782 -6.484 -3.987 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.121 -8.091 -6.858 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.315 -6.897 -8.790 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.688 -4.508 -4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.361 -4.946 -9.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.927 -2.762 -5.453 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.318 -2.994 -7.894 1.00 0.00 H new ATOM 921 N LYS A 65 -6.000 -9.941 -2.063 1.00 0.00 N ATOM 922 CA LYS A 65 -5.158 -10.595 -1.056 1.00 0.00 C ATOM 923 C LYS A 65 -3.898 -11.191 -1.711 1.00 0.00 C ATOM 924 O LYS A 65 -2.835 -11.274 -1.087 1.00 0.00 O ATOM 925 CB LYS A 65 -5.963 -11.611 -0.219 1.00 0.00 C ATOM 926 CG LYS A 65 -6.240 -11.033 1.180 1.00 0.00 C ATOM 927 CD LYS A 65 -7.425 -11.661 1.947 1.00 0.00 C ATOM 928 CE LYS A 65 -8.530 -10.600 2.075 1.00 0.00 C ATOM 929 NZ LYS A 65 -9.570 -10.878 3.091 1.00 0.00 N ATOM 0 H LYS A 65 -6.959 -10.287 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.811 -9.846 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.903 -11.843 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.408 -12.545 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.340 -11.147 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.423 -9.963 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.799 -12.537 1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.104 -11.997 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.064 -9.643 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.015 -10.488 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.176 -10.041 3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.149 -11.685 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.116 -11.104 3.999 1.00 0.00 H new ATOM 943 N SER A 66 -3.992 -11.531 -2.999 1.00 0.00 N ATOM 944 CA SER A 66 -2.857 -11.781 -3.871 1.00 0.00 C ATOM 945 C SER A 66 -1.793 -10.675 -3.763 1.00 0.00 C ATOM 946 O SER A 66 -0.623 -10.957 -3.501 1.00 0.00 O ATOM 947 CB SER A 66 -3.378 -11.905 -5.308 1.00 0.00 C ATOM 948 OG SER A 66 -4.549 -12.699 -5.317 1.00 0.00 O ATOM 0 H SER A 66 -4.889 -11.641 -3.471 1.00 0.00 H new ATOM 0 HA SER A 66 -2.367 -12.706 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.592 -10.917 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.616 -12.354 -5.945 1.00 0.00 H new ATOM 0 HG SER A 66 -5.329 -12.129 -5.482 1.00 0.00 H new ATOM 954 N TYR A 67 -2.184 -9.409 -3.959 1.00 0.00 N ATOM 955 CA TYR A 67 -1.261 -8.284 -3.886 1.00 0.00 C ATOM 956 C TYR A 67 -0.675 -8.152 -2.497 1.00 0.00 C ATOM 957 O TYR A 67 0.473 -7.742 -2.357 1.00 0.00 O ATOM 958 CB TYR A 67 -1.938 -6.950 -4.213 1.00 0.00 C ATOM 959 CG TYR A 67 -2.014 -6.637 -5.690 1.00 0.00 C ATOM 960 CD1 TYR A 67 -0.867 -6.190 -6.372 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.234 -6.764 -6.377 1.00 0.00 C ATOM 962 CE1 TYR A 67 -0.944 -5.869 -7.737 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.315 -6.419 -7.737 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.178 -5.939 -8.408 1.00 0.00 C ATOM 965 OH TYR A 67 -2.236 -5.612 -9.728 1.00 0.00 O ATOM 0 H TYR A 67 -3.146 -9.143 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.486 -8.494 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.948 -6.958 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.396 -6.148 -3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.071 -6.094 -5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.110 -7.127 -5.859 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.055 -5.568 -8.272 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.251 -6.523 -8.266 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.162 -5.680 -10.042 1.00 0.00 H new ATOM 975 N ILE A 68 -1.455 -8.436 -1.458 1.00 0.00 N ATOM 976 CA ILE A 68 -0.962 -8.281 -0.113 1.00 0.00 C ATOM 977 C ILE A 68 0.192 -9.239 0.100 1.00 0.00 C ATOM 978 O ILE A 68 1.268 -8.844 0.546 1.00 0.00 O ATOM 979 CB ILE A 68 -2.129 -8.517 0.848 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.998 -7.262 0.972 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.697 -8.981 2.243 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.088 -6.368 -0.275 1.00 0.00 C ATOM 0 H ILE A 68 -2.416 -8.769 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.577 -7.278 0.072 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.707 -9.330 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.007 -7.571 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.615 -6.661 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.579 -9.127 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.151 -9.921 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.054 -8.226 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.730 -5.513 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.092 -6.016 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.506 -6.940 -1.103 1.00 0.00 H new ATOM 994 N GLN A 69 -0.026 -10.500 -0.260 1.00 0.00 N ATOM 995 CA GLN A 69 1.036 -11.474 -0.232 1.00 0.00 C ATOM 996 C GLN A 69 2.169 -11.028 -1.152 1.00 0.00 C ATOM 997 O GLN A 69 3.313 -11.194 -0.762 1.00 0.00 O ATOM 998 CB GLN A 69 0.467 -12.852 -0.586 1.00 0.00 C ATOM 999 CG GLN A 69 0.075 -13.624 0.682 1.00 0.00 C ATOM 1000 CD GLN A 69 -0.744 -12.800 1.675 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.281 -12.515 2.779 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -1.949 -12.382 1.300 1.00 0.00 N ATOM 0 H GLN A 69 -0.928 -10.861 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 69 1.464 -11.554 0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.405 -12.736 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.206 -13.421 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.497 -14.507 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.980 -13.977 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.312 -12.631 0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.511 -11.812 1.933 1.00 0.00 H new ATOM 1011 N LYS A 70 1.889 -10.425 -2.313 1.00 0.00 N ATOM 1012 CA LYS A 70 2.926 -9.877 -3.185 1.00 0.00 C ATOM 1013 C LYS A 70 3.795 -8.840 -2.469 1.00 0.00 C ATOM 1014 O LYS A 70 5.014 -8.984 -2.444 1.00 0.00 O ATOM 1015 CB LYS A 70 2.309 -9.285 -4.460 1.00 0.00 C ATOM 1016 CG LYS A 70 3.349 -9.053 -5.562 1.00 0.00 C ATOM 1017 CD LYS A 70 2.719 -8.227 -6.693 1.00 0.00 C ATOM 1018 CE LYS A 70 3.717 -8.043 -7.843 1.00 0.00 C ATOM 1019 NZ LYS A 70 3.201 -7.149 -8.897 1.00 0.00 N ATOM 0 H LYS A 70 0.941 -10.305 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 70 3.579 -10.703 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.535 -9.957 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.822 -8.340 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.216 -8.532 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.704 -10.008 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.821 -8.725 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.410 -7.253 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.649 -7.637 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.951 -9.015 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.830 -7.188 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.246 -7.454 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.163 -6.174 -8.537 1.00 0.00 H new ATOM 1033 N ASN A 71 3.194 -7.790 -1.900 1.00 0.00 N ATOM 1034 CA ASN A 71 3.894 -6.822 -1.072 1.00 0.00 C ATOM 1035 C ASN A 71 4.713 -7.557 -0.017 1.00 0.00 C ATOM 1036 O ASN A 71 5.907 -7.308 0.133 1.00 0.00 O ATOM 1037 CB ASN A 71 2.868 -5.887 -0.411 1.00 0.00 C ATOM 1038 CG ASN A 71 2.359 -4.762 -1.311 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.203 -3.622 -0.875 1.00 0.00 O ATOM 1040 ND2 ASN A 71 2.095 -5.054 -2.581 1.00 0.00 N ATOM 0 H ASN A 71 2.199 -7.593 -2.007 1.00 0.00 H new ATOM 0 HA ASN A 71 4.571 -6.225 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.017 -6.481 -0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.318 -5.447 0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.757 -4.327 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.230 -6.005 -2.924 1.00 0.00 H new ATOM 1047 N ARG A 72 4.087 -8.502 0.687 1.00 0.00 N ATOM 1048 CA ARG A 72 4.797 -9.303 1.668 1.00 0.00 C ATOM 1049 C ARG A 72 5.993 -10.021 1.034 1.00 0.00 C ATOM 1050 O ARG A 72 7.061 -10.077 1.635 1.00 0.00 O ATOM 1051 CB ARG A 72 3.846 -10.274 2.388 1.00 0.00 C ATOM 1052 CG ARG A 72 4.199 -10.303 3.884 1.00 0.00 C ATOM 1053 CD ARG A 72 3.229 -11.150 4.715 1.00 0.00 C ATOM 1054 NE ARG A 72 1.879 -10.564 4.768 1.00 0.00 N ATOM 1055 CZ ARG A 72 1.463 -9.599 5.611 1.00 0.00 C ATOM 1056 NH1 ARG A 72 2.302 -8.985 6.452 1.00 0.00 N ATOM 1057 NH2 ARG A 72 0.175 -9.255 5.602 1.00 0.00 N ATOM 0 H ARG A 72 3.096 -8.725 0.592 1.00 0.00 H new ATOM 0 HA ARG A 72 5.197 -8.632 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.812 -9.959 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.934 -11.273 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.209 -10.694 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.204 -9.284 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.171 -12.153 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.617 -11.254 5.728 1.00 0.00 H new ATOM 0 HE ARG A 72 1.194 -10.923 4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.289 -9.244 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.955 -8.258 7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.473 -9.720 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.163 -8.527 6.231 1.00 0.00 H new ATOM 1071 N ASP A 73 5.823 -10.584 -0.167 1.00 0.00 N ATOM 1072 CA ASP A 73 6.840 -11.363 -0.854 1.00 0.00 C ATOM 1073 C ASP A 73 8.036 -10.478 -1.165 1.00 0.00 C ATOM 1074 O ASP A 73 9.170 -10.811 -0.824 1.00 0.00 O ATOM 1075 CB ASP A 73 6.253 -11.993 -2.127 1.00 0.00 C ATOM 1076 CG ASP A 73 6.668 -13.442 -2.279 1.00 0.00 C ATOM 1077 OD1 ASP A 73 6.090 -14.242 -1.509 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.541 -13.722 -3.120 1.00 0.00 O ATOM 0 H ASP A 73 4.953 -10.505 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 73 7.178 -12.176 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.165 -11.927 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.583 -11.427 -2.998 1.00 0.00 H new ATOM 1083 N PHE A 74 7.741 -9.321 -1.765 1.00 0.00 N ATOM 1084 CA PHE A 74 8.719 -8.320 -2.156 1.00 0.00 C ATOM 1085 C PHE A 74 9.719 -8.046 -1.037 1.00 0.00 C ATOM 1086 O PHE A 74 10.907 -7.875 -1.301 1.00 0.00 O ATOM 1087 CB PHE A 74 7.991 -7.034 -2.574 1.00 0.00 C ATOM 1088 CG PHE A 74 7.928 -6.834 -4.073 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.287 -7.790 -4.883 1.00 0.00 C ATOM 1090 CD2 PHE A 74 8.641 -5.776 -4.668 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.336 -7.671 -6.283 1.00 0.00 C ATOM 1092 CE2 PHE A 74 8.698 -5.665 -6.067 1.00 0.00 C ATOM 1093 CZ PHE A 74 8.021 -6.594 -6.876 1.00 0.00 C ATOM 0 H PHE A 74 6.784 -9.054 -1.996 1.00 0.00 H new ATOM 0 HA PHE A 74 9.289 -8.701 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.977 -7.055 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.494 -6.179 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.758 -8.615 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.145 -5.049 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.847 -8.407 -6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.263 -4.865 -6.522 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.026 -6.482 -7.950 1.00 0.00 H new ATOM 1103 N PHE A 75 9.234 -7.990 0.204 1.00 0.00 N ATOM 1104 CA PHE A 75 10.033 -7.633 1.355 1.00 0.00 C ATOM 1105 C PHE A 75 10.033 -8.751 2.392 1.00 0.00 C ATOM 1106 O PHE A 75 10.073 -8.448 3.583 1.00 0.00 O ATOM 1107 CB PHE A 75 9.443 -6.350 1.947 1.00 0.00 C ATOM 1108 CG PHE A 75 9.079 -5.290 0.927 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.066 -4.758 0.077 1.00 0.00 C ATOM 1110 CD2 PHE A 75 7.727 -4.962 0.723 1.00 0.00 C ATOM 1111 CE1 PHE A 75 9.693 -3.920 -0.988 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.354 -4.131 -0.341 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.336 -3.624 -1.204 1.00 0.00 C ATOM 0 H PHE A 75 8.261 -8.196 0.431 1.00 0.00 H new ATOM 0 HA PHE A 75 11.069 -7.476 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.551 -6.607 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.161 -5.927 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.107 -4.993 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.973 -5.353 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.448 -3.504 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.315 -3.882 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.048 -3.003 -2.039 1.00 0.00 H new