USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 40 SER OG : rot 155:sc= 0.3 USER MOD Set 1.2: A 78 CYS SG : rot -160:sc= -0.374 USER MOD Set 2.1: A 31 CYS SG : rot 136:sc= 0.0827 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -12.1! C(o=-10!,f=-10!) USER MOD Set 2.3: A 37 THR OG1 : rot 87:sc= 0.577 USER MOD Set 2.4: A 86 CYS SG : rot 18:sc= 1.11 USER MOD Set 2.5: A 88 SER OG : rot 160:sc= 0 USER MOD Set 2.6: A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 170:sc= -2.58 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= -3.61 (180deg=-5.27!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.209) USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.687 -2.090 -6.394 1.00 0.00 N ATOM 29 CA ALA A 18 4.861 -2.230 -7.239 1.00 0.00 C ATOM 30 C ALA A 18 5.576 -3.538 -6.897 1.00 0.00 C ATOM 31 O ALA A 18 6.150 -4.183 -7.774 1.00 0.00 O ATOM 32 CB ALA A 18 5.765 -1.008 -7.064 1.00 0.00 C ATOM 0 HA ALA A 18 4.575 -2.275 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.646 -1.113 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.219 -0.108 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.075 -0.931 -6.022 1.00 0.00 H new ATOM 38 N VAL A 19 5.519 -3.892 -5.622 1.00 0.00 N ATOM 39 CA VAL A 19 6.154 -5.112 -5.154 1.00 0.00 C ATOM 40 C VAL A 19 5.318 -6.317 -5.590 1.00 0.00 C ATOM 41 O VAL A 19 5.835 -7.244 -6.211 1.00 0.00 O ATOM 42 CB VAL A 19 6.363 -5.045 -3.640 1.00 0.00 C ATOM 43 CG1 VAL A 19 6.532 -3.598 -3.172 1.00 0.00 C ATOM 44 CG2 VAL A 19 5.214 -5.731 -2.897 1.00 0.00 C ATOM 0 H VAL A 19 5.042 -3.355 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 19 7.142 -5.224 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 19 7.282 -5.582 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.679 -3.580 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.398 -3.155 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.639 -3.027 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.387 -5.669 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.275 -5.235 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.161 -6.778 -3.196 1.00 0.00 H new ATOM 54 N TYR A 20 4.039 -6.264 -5.247 1.00 0.00 N ATOM 55 CA TYR A 20 3.126 -7.340 -5.595 1.00 0.00 C ATOM 56 C TYR A 20 3.270 -7.726 -7.068 1.00 0.00 C ATOM 57 O TYR A 20 3.223 -8.906 -7.412 1.00 0.00 O ATOM 58 CB TYR A 20 1.718 -6.791 -5.359 1.00 0.00 C ATOM 59 CG TYR A 20 1.055 -7.307 -4.080 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.833 -7.754 -3.032 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.321 -7.325 -3.976 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.208 -8.239 -1.828 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.945 -7.811 -2.773 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.150 -8.244 -1.758 1.00 0.00 C ATOM 65 OH TYR A 20 -0.739 -8.703 -0.621 1.00 0.00 O ATOM 0 H TYR A 20 3.614 -5.493 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 20 3.334 -8.228 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.766 -5.703 -5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.090 -7.050 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.910 -7.740 -3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.929 -6.975 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.805 -8.591 -0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.021 -7.831 -2.679 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.713 -8.647 -0.712 1.00 0.00 H new ATOM 75 N ILE A 21 3.444 -6.709 -7.899 1.00 0.00 N ATOM 76 CA ILE A 21 3.595 -6.927 -9.328 1.00 0.00 C ATOM 77 C ILE A 21 4.988 -7.495 -9.608 1.00 0.00 C ATOM 78 O ILE A 21 5.151 -8.344 -10.482 1.00 0.00 O ATOM 79 CB ILE A 21 3.287 -5.643 -10.101 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.700 -5.960 -11.478 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.526 -4.751 -10.198 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.493 -4.682 -12.293 1.00 0.00 C ATOM 0 H ILE A 21 3.484 -5.732 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 21 2.873 -7.664 -9.680 1.00 0.00 H new ATOM 0 HB ILE A 21 2.531 -5.085 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.367 -6.634 -12.015 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.749 -6.479 -11.361 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.280 -3.845 -10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.861 -4.484 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.321 -5.288 -10.715 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.075 -4.935 -13.267 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.806 -4.021 -11.764 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.450 -4.178 -12.429 1.00 0.00 H new ATOM 94 N ALA A 22 5.956 -7.002 -8.850 1.00 0.00 N ATOM 95 CA ALA A 22 7.330 -7.450 -9.006 1.00 0.00 C ATOM 96 C ALA A 22 7.421 -8.935 -8.647 1.00 0.00 C ATOM 97 O ALA A 22 8.206 -9.673 -9.241 1.00 0.00 O ATOM 98 CB ALA A 22 8.250 -6.584 -8.143 1.00 0.00 C ATOM 0 H ALA A 22 5.817 -6.297 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 22 7.655 -7.340 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.280 -6.920 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.170 -5.543 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.956 -6.671 -7.097 1.00 0.00 H new ATOM 104 N ILE A 23 6.608 -9.328 -7.678 1.00 0.00 N ATOM 105 CA ILE A 23 6.588 -10.711 -7.233 1.00 0.00 C ATOM 106 C ILE A 23 5.506 -11.473 -8.002 1.00 0.00 C ATOM 107 O ILE A 23 5.573 -12.695 -8.127 1.00 0.00 O ATOM 108 CB ILE A 23 6.429 -10.783 -5.713 1.00 0.00 C ATOM 109 CG1 ILE A 23 5.982 -12.179 -5.274 1.00 0.00 C ATOM 110 CG2 ILE A 23 5.482 -9.693 -5.209 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.478 -12.209 -4.992 1.00 0.00 C ATOM 0 H ILE A 23 5.958 -8.713 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 23 7.539 -11.196 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 23 7.402 -10.599 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.225 -12.904 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.530 -12.476 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.386 -9.766 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.881 -8.714 -5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.502 -9.821 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.186 -13.212 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.243 -11.501 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.933 -11.935 -5.895 1.00 0.00 H new ATOM 123 N GLU A 24 4.534 -10.720 -8.495 1.00 0.00 N ATOM 124 CA GLU A 24 3.439 -11.309 -9.248 1.00 0.00 C ATOM 125 C GLU A 24 3.703 -11.189 -10.750 1.00 0.00 C ATOM 126 O GLU A 24 2.850 -11.541 -11.563 1.00 0.00 O ATOM 127 CB GLU A 24 2.105 -10.662 -8.872 1.00 0.00 C ATOM 128 CG GLU A 24 0.937 -11.378 -9.553 1.00 0.00 C ATOM 129 CD GLU A 24 0.437 -10.583 -10.762 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.330 -9.350 -10.691 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.155 -11.292 -11.802 1.00 0.00 O ATOM 0 H GLU A 24 4.482 -9.707 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 24 3.376 -12.367 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.974 -10.693 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.112 -9.612 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.251 -12.372 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.123 -11.514 -8.840 1.00 0.00 H new ATOM 139 N ALA A 25 4.888 -10.691 -11.073 1.00 0.00 N ATOM 140 CA ALA A 25 5.274 -10.521 -12.463 1.00 0.00 C ATOM 141 C ALA A 25 5.697 -11.873 -13.040 1.00 0.00 C ATOM 142 O ALA A 25 6.074 -11.964 -14.207 1.00 0.00 O ATOM 143 CB ALA A 25 6.384 -9.472 -12.560 1.00 0.00 C ATOM 0 H ALA A 25 5.593 -10.400 -10.396 1.00 0.00 H new ATOM 0 HA ALA A 25 4.432 -10.160 -13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.674 -9.344 -13.603 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.023 -8.523 -12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.247 -9.801 -11.981 1.00 0.00 H new ATOM 149 N GLY A 26 5.621 -12.891 -12.195 1.00 0.00 N ATOM 150 CA GLY A 26 5.992 -14.234 -12.606 1.00 0.00 C ATOM 151 C GLY A 26 7.031 -14.831 -11.656 1.00 0.00 C ATOM 152 O GLY A 26 7.513 -15.942 -11.876 1.00 0.00 O ATOM 0 H GLY A 26 5.308 -12.812 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.106 -14.869 -12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.392 -14.210 -13.620 1.00 0.00 H new ATOM 156 N THR A 27 7.347 -14.068 -10.620 1.00 0.00 N ATOM 157 CA THR A 27 8.320 -14.508 -9.635 1.00 0.00 C ATOM 158 C THR A 27 7.880 -15.830 -9.003 1.00 0.00 C ATOM 159 O THR A 27 8.662 -16.776 -8.924 1.00 0.00 O ATOM 160 CB THR A 27 8.507 -13.381 -8.618 1.00 0.00 C ATOM 161 OG1 THR A 27 9.765 -12.806 -8.962 1.00 0.00 O ATOM 162 CG2 THR A 27 8.713 -13.904 -7.195 1.00 0.00 C ATOM 0 H THR A 27 6.946 -13.147 -10.441 1.00 0.00 H new ATOM 0 HA THR A 27 9.286 -14.711 -10.098 1.00 0.00 H new ATOM 0 HB THR A 27 7.637 -12.725 -8.641 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.891 -11.972 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.841 -13.063 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.844 -14.488 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.602 -14.534 -7.164 1.00 0.00 H new ATOM 170 N LEU A 28 6.628 -15.853 -8.569 1.00 0.00 N ATOM 171 CA LEU A 28 6.074 -17.044 -7.946 1.00 0.00 C ATOM 172 C LEU A 28 4.770 -17.422 -8.651 1.00 0.00 C ATOM 173 O LEU A 28 4.306 -16.703 -9.535 1.00 0.00 O ATOM 174 CB LEU A 28 5.921 -16.837 -6.438 1.00 0.00 C ATOM 175 CG LEU A 28 5.393 -15.470 -5.998 1.00 0.00 C ATOM 176 CD1 LEU A 28 3.890 -15.527 -5.720 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.179 -14.939 -4.797 1.00 0.00 C ATOM 0 H LEU A 28 5.982 -15.067 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 28 6.755 -17.887 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.250 -17.605 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.892 -16.997 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 28 5.542 -14.766 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.540 -14.543 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.364 -15.830 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.694 -16.249 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.783 -13.966 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.084 -15.635 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.230 -14.837 -5.066 1.00 0.00 H new ATOM 189 N ALA A 29 4.215 -18.551 -8.233 1.00 0.00 N ATOM 190 CA ALA A 29 2.974 -19.034 -8.813 1.00 0.00 C ATOM 191 C ALA A 29 1.972 -19.324 -7.694 1.00 0.00 C ATOM 192 O ALA A 29 2.364 -19.602 -6.561 1.00 0.00 O ATOM 193 CB ALA A 29 3.258 -20.265 -9.675 1.00 0.00 C ATOM 0 H ALA A 29 4.602 -19.145 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 29 2.534 -18.277 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.327 -20.627 -10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.952 -19.999 -10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.699 -21.048 -9.058 1.00 0.00 H new ATOM 199 N GLU A 30 0.698 -19.250 -8.049 1.00 0.00 N ATOM 200 CA GLU A 30 -0.363 -19.501 -7.089 1.00 0.00 C ATOM 201 C GLU A 30 -1.595 -20.071 -7.795 1.00 0.00 C ATOM 202 O GLU A 30 -1.993 -19.579 -8.850 1.00 0.00 O ATOM 203 CB GLU A 30 -0.715 -18.229 -6.315 1.00 0.00 C ATOM 204 CG GLU A 30 -1.710 -17.369 -7.097 1.00 0.00 C ATOM 205 CD GLU A 30 -1.130 -16.955 -8.451 1.00 0.00 C ATOM 206 OE1 GLU A 30 -1.740 -17.226 -9.496 1.00 0.00 O ATOM 207 OE2 GLU A 30 -0.005 -16.327 -8.393 1.00 0.00 O ATOM 0 H GLU A 30 0.376 -19.020 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.007 -20.238 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.140 -18.494 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.191 -17.656 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.636 -17.924 -7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.962 -16.480 -6.518 1.00 0.00 H new ATOM 215 N CYS A 31 -2.163 -21.101 -7.186 1.00 0.00 N ATOM 216 CA CYS A 31 -3.341 -21.744 -7.743 1.00 0.00 C ATOM 217 C CYS A 31 -4.436 -20.687 -7.900 1.00 0.00 C ATOM 218 O CYS A 31 -4.617 -19.841 -7.025 1.00 0.00 O ATOM 219 CB CYS A 31 -3.804 -22.922 -6.883 1.00 0.00 C ATOM 220 SG CYS A 31 -3.646 -24.483 -7.824 1.00 0.00 S ATOM 0 H CYS A 31 -1.829 -21.507 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.101 -22.165 -8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.208 -22.975 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.840 -22.775 -6.578 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.134 -25.401 -7.059 1.00 0.00 H new ATOM 225 N GLU A 32 -5.138 -20.769 -9.020 1.00 0.00 N ATOM 226 CA GLU A 32 -6.211 -19.830 -9.302 1.00 0.00 C ATOM 227 C GLU A 32 -7.570 -20.488 -9.059 1.00 0.00 C ATOM 228 O GLU A 32 -8.589 -20.022 -9.565 1.00 0.00 O ATOM 229 CB GLU A 32 -6.109 -19.295 -10.732 1.00 0.00 C ATOM 230 CG GLU A 32 -6.886 -17.986 -10.884 1.00 0.00 C ATOM 231 CD GLU A 32 -6.275 -17.109 -11.979 1.00 0.00 C ATOM 232 OE1 GLU A 32 -5.084 -17.250 -12.294 1.00 0.00 O ATOM 233 OE2 GLU A 32 -7.085 -16.258 -12.511 1.00 0.00 O ATOM 0 H GLU A 32 -4.985 -21.471 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.113 -18.982 -8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.062 -19.133 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.498 -20.036 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.927 -18.203 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.884 -17.446 -9.937 1.00 0.00 H new ATOM 241 N VAL A 33 -7.542 -21.563 -8.283 1.00 0.00 N ATOM 242 CA VAL A 33 -8.759 -22.289 -7.967 1.00 0.00 C ATOM 243 C VAL A 33 -9.182 -21.967 -6.532 1.00 0.00 C ATOM 244 O VAL A 33 -10.373 -21.907 -6.231 1.00 0.00 O ATOM 245 CB VAL A 33 -8.552 -23.786 -8.206 1.00 0.00 C ATOM 246 CG1 VAL A 33 -7.155 -24.225 -7.762 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.634 -24.609 -7.504 1.00 0.00 C ATOM 0 H VAL A 33 -6.695 -21.948 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.571 -21.977 -8.624 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.635 -23.968 -9.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.035 -25.293 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.404 -23.674 -8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.030 -24.021 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.463 -25.669 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.597 -24.419 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.614 -24.326 -7.889 1.00 0.00 H new ATOM 257 N HIS A 34 -8.183 -21.767 -5.685 1.00 0.00 N ATOM 258 CA HIS A 34 -8.436 -21.452 -4.290 1.00 0.00 C ATOM 259 C HIS A 34 -7.538 -20.292 -3.854 1.00 0.00 C ATOM 260 O HIS A 34 -6.324 -20.452 -3.740 1.00 0.00 O ATOM 261 CB HIS A 34 -8.268 -22.694 -3.413 1.00 0.00 C ATOM 262 CG HIS A 34 -7.468 -23.799 -4.060 1.00 0.00 C ATOM 263 ND1 HIS A 34 -8.057 -24.881 -4.691 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.120 -23.977 -4.168 1.00 0.00 C ATOM 265 CE1 HIS A 34 -7.097 -25.668 -5.154 1.00 0.00 C ATOM 266 NE2 HIS A 34 -5.897 -25.107 -4.828 1.00 0.00 N ATOM 0 H HIS A 34 -7.196 -21.817 -5.939 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.470 -21.130 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.782 -22.405 -2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.254 -23.078 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.362 -23.311 -3.782 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.240 -26.592 -5.695 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.980 -25.492 -5.054 1.00 0.00 H new ATOM 274 N GLU A 35 -8.170 -19.151 -3.622 1.00 0.00 N ATOM 275 CA GLU A 35 -7.443 -17.966 -3.201 1.00 0.00 C ATOM 276 C GLU A 35 -6.814 -18.189 -1.825 1.00 0.00 C ATOM 277 O GLU A 35 -7.453 -18.736 -0.927 1.00 0.00 O ATOM 278 CB GLU A 35 -8.356 -16.737 -3.194 1.00 0.00 C ATOM 279 CG GLU A 35 -8.579 -16.212 -4.613 1.00 0.00 C ATOM 280 CD GLU A 35 -9.072 -14.763 -4.590 1.00 0.00 C ATOM 281 OE1 GLU A 35 -8.948 -14.082 -3.561 1.00 0.00 O ATOM 282 OE2 GLU A 35 -9.600 -14.350 -5.692 1.00 0.00 O ATOM 0 H GLU A 35 -9.177 -19.022 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.643 -17.781 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.314 -16.994 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.913 -15.954 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.649 -16.275 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.307 -16.840 -5.127 1.00 0.00 H new ATOM 290 N GLY A 36 -5.568 -17.755 -1.701 1.00 0.00 N ATOM 291 CA GLY A 36 -4.845 -17.902 -0.449 1.00 0.00 C ATOM 292 C GLY A 36 -3.703 -18.910 -0.590 1.00 0.00 C ATOM 293 O GLY A 36 -2.696 -18.815 0.110 1.00 0.00 O ATOM 0 H GLY A 36 -5.041 -17.301 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.446 -16.936 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.529 -18.229 0.334 1.00 0.00 H new ATOM 297 N THR A 37 -3.898 -19.853 -1.500 1.00 0.00 N ATOM 298 CA THR A 37 -2.897 -20.878 -1.742 1.00 0.00 C ATOM 299 C THR A 37 -1.875 -20.393 -2.772 1.00 0.00 C ATOM 300 O THR A 37 -2.217 -20.162 -3.930 1.00 0.00 O ATOM 301 CB THR A 37 -3.623 -22.158 -2.163 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.986 -21.760 -2.283 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.639 -23.213 -1.055 1.00 0.00 C ATOM 0 H THR A 37 -4.735 -19.929 -2.079 1.00 0.00 H new ATOM 0 HA THR A 37 -2.325 -21.093 -0.839 1.00 0.00 H new ATOM 0 HB THR A 37 -3.145 -22.571 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.148 -21.416 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.166 -24.101 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.615 -23.479 -0.791 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.147 -22.812 -0.178 1.00 0.00 H new ATOM 311 N TYR A 38 -0.640 -20.254 -2.312 1.00 0.00 N ATOM 312 CA TYR A 38 0.435 -19.801 -3.178 1.00 0.00 C ATOM 313 C TYR A 38 1.688 -20.658 -2.992 1.00 0.00 C ATOM 314 O TYR A 38 1.724 -21.532 -2.127 1.00 0.00 O ATOM 315 CB TYR A 38 0.745 -18.365 -2.749 1.00 0.00 C ATOM 316 CG TYR A 38 -0.227 -17.324 -3.308 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.551 -17.337 -2.917 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.219 -16.373 -4.202 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.466 -16.358 -3.442 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.697 -15.393 -4.728 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.994 -15.434 -4.322 1.00 0.00 C ATOM 322 OH TYR A 38 -2.859 -14.509 -4.818 1.00 0.00 O ATOM 0 H TYR A 38 -0.360 -20.447 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 38 0.139 -19.870 -4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.732 -18.311 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.756 -18.112 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.900 -18.082 -2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.255 -16.363 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.504 -16.357 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.361 -14.643 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.383 -13.913 -5.433 1.00 0.00 H new ATOM 332 N PHE A 39 2.685 -20.379 -3.819 1.00 0.00 N ATOM 333 CA PHE A 39 3.937 -21.114 -3.756 1.00 0.00 C ATOM 334 C PHE A 39 4.997 -20.469 -4.652 1.00 0.00 C ATOM 335 O PHE A 39 4.824 -20.392 -5.867 1.00 0.00 O ATOM 336 CB PHE A 39 3.650 -22.529 -4.263 1.00 0.00 C ATOM 337 CG PHE A 39 3.412 -22.613 -5.772 1.00 0.00 C ATOM 338 CD1 PHE A 39 4.463 -22.774 -6.619 1.00 0.00 C ATOM 339 CD2 PHE A 39 2.147 -22.527 -6.266 1.00 0.00 C ATOM 340 CE1 PHE A 39 4.242 -22.852 -8.020 1.00 0.00 C ATOM 341 CE2 PHE A 39 1.926 -22.605 -7.667 1.00 0.00 C ATOM 342 CZ PHE A 39 2.978 -22.766 -8.514 1.00 0.00 C ATOM 0 H PHE A 39 2.651 -19.654 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 39 4.316 -21.117 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.488 -23.175 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.774 -22.919 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.467 -22.843 -6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.312 -22.400 -5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.077 -22.980 -8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.922 -22.536 -8.060 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.809 -22.826 -9.579 1.00 0.00 H new ATOM 352 N SER A 40 6.070 -20.023 -4.016 1.00 0.00 N ATOM 353 CA SER A 40 7.158 -19.387 -4.740 1.00 0.00 C ATOM 354 C SER A 40 8.256 -20.410 -5.039 1.00 0.00 C ATOM 355 O SER A 40 8.481 -21.331 -4.256 1.00 0.00 O ATOM 356 CB SER A 40 7.731 -18.209 -3.950 1.00 0.00 C ATOM 357 OG SER A 40 8.630 -17.428 -4.732 1.00 0.00 O ATOM 0 H SER A 40 6.210 -20.089 -3.008 1.00 0.00 H new ATOM 0 HA SER A 40 6.764 -19.001 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.915 -17.578 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.249 -18.583 -3.067 1.00 0.00 H new ATOM 0 HG SER A 40 8.663 -16.515 -4.378 1.00 0.00 H new ATOM 363 N ASP A 41 8.909 -20.214 -6.175 1.00 0.00 N ATOM 364 CA ASP A 41 9.978 -21.108 -6.587 1.00 0.00 C ATOM 365 C ASP A 41 10.842 -21.456 -5.374 1.00 0.00 C ATOM 366 O ASP A 41 11.746 -20.703 -5.014 1.00 0.00 O ATOM 367 CB ASP A 41 10.877 -20.446 -7.634 1.00 0.00 C ATOM 368 CG ASP A 41 11.316 -21.359 -8.780 1.00 0.00 C ATOM 369 OD1 ASP A 41 12.114 -22.288 -8.587 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.796 -21.082 -9.927 1.00 0.00 O ATOM 0 H ASP A 41 8.719 -19.450 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 41 9.524 -22.002 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.350 -19.589 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.766 -20.060 -7.136 1.00 0.00 H new ATOM 376 N SER A 42 10.534 -22.598 -4.776 1.00 0.00 N ATOM 377 CA SER A 42 11.272 -23.056 -3.611 1.00 0.00 C ATOM 378 C SER A 42 12.696 -23.445 -4.012 1.00 0.00 C ATOM 379 O SER A 42 12.904 -24.061 -5.057 1.00 0.00 O ATOM 380 CB SER A 42 10.567 -24.237 -2.942 1.00 0.00 C ATOM 381 OG SER A 42 9.148 -24.118 -3.004 1.00 0.00 O ATOM 0 H SER A 42 9.783 -23.220 -5.077 1.00 0.00 H new ATOM 0 HA SER A 42 11.316 -22.239 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.874 -25.164 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.880 -24.303 -1.900 1.00 0.00 H new ATOM 0 HG SER A 42 8.735 -24.892 -2.567 1.00 0.00 H new ATOM 387 N GLY A 43 13.640 -23.070 -3.162 1.00 0.00 N ATOM 388 CA GLY A 43 15.038 -23.372 -3.415 1.00 0.00 C ATOM 389 C GLY A 43 15.821 -22.103 -3.757 1.00 0.00 C ATOM 390 O GLY A 43 17.018 -22.016 -3.488 1.00 0.00 O ATOM 0 H GLY A 43 13.464 -22.559 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.475 -23.848 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.117 -24.084 -4.236 1.00 0.00 H new ATOM 394 N ASP A 44 15.112 -21.150 -4.345 1.00 0.00 N ATOM 395 CA ASP A 44 15.725 -19.889 -4.727 1.00 0.00 C ATOM 396 C ASP A 44 14.699 -18.764 -4.583 1.00 0.00 C ATOM 397 O ASP A 44 14.081 -18.353 -5.564 1.00 0.00 O ATOM 398 CB ASP A 44 16.190 -19.922 -6.184 1.00 0.00 C ATOM 399 CG ASP A 44 15.301 -20.732 -7.129 1.00 0.00 C ATOM 400 OD1 ASP A 44 15.032 -21.919 -6.892 1.00 0.00 O ATOM 401 OD2 ASP A 44 14.870 -20.087 -8.159 1.00 0.00 O ATOM 0 H ASP A 44 14.119 -21.226 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 44 16.585 -19.721 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.249 -18.898 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 44 17.199 -20.332 -6.218 1.00 0.00 H new ATOM 407 N ILE A 45 14.548 -18.297 -3.352 1.00 0.00 N ATOM 408 CA ILE A 45 13.607 -17.227 -3.067 1.00 0.00 C ATOM 409 C ILE A 45 14.166 -15.906 -3.600 1.00 0.00 C ATOM 410 O ILE A 45 13.410 -14.986 -3.906 1.00 0.00 O ATOM 411 CB ILE A 45 13.268 -17.194 -1.576 1.00 0.00 C ATOM 412 CG1 ILE A 45 14.534 -17.052 -0.729 1.00 0.00 C ATOM 413 CG2 ILE A 45 12.444 -18.419 -1.174 1.00 0.00 C ATOM 414 CD1 ILE A 45 14.274 -16.185 0.504 1.00 0.00 C ATOM 0 H ILE A 45 15.062 -18.640 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 45 12.662 -17.404 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 45 12.652 -16.315 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.881 -18.038 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.329 -16.609 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.216 -18.371 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.515 -18.435 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.013 -19.325 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.190 -16.100 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.951 -15.193 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.495 -16.644 1.114 1.00 0.00 H new ATOM 426 N SER A 46 15.487 -15.855 -3.694 1.00 0.00 N ATOM 427 CA SER A 46 16.157 -14.662 -4.184 1.00 0.00 C ATOM 428 C SER A 46 15.703 -14.357 -5.613 1.00 0.00 C ATOM 429 O SER A 46 15.766 -13.212 -6.057 1.00 0.00 O ATOM 430 CB SER A 46 17.677 -14.824 -4.134 1.00 0.00 C ATOM 431 OG SER A 46 18.141 -15.802 -5.061 1.00 0.00 O ATOM 0 H SER A 46 16.111 -16.620 -3.439 1.00 0.00 H new ATOM 0 HA SER A 46 15.886 -13.828 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.151 -13.866 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.978 -15.109 -3.126 1.00 0.00 H new ATOM 0 HG SER A 46 19.116 -15.874 -4.999 1.00 0.00 H new ATOM 437 N GLU A 47 15.255 -15.402 -6.294 1.00 0.00 N ATOM 438 CA GLU A 47 14.790 -15.260 -7.663 1.00 0.00 C ATOM 439 C GLU A 47 13.669 -14.221 -7.738 1.00 0.00 C ATOM 440 O GLU A 47 13.460 -13.602 -8.780 1.00 0.00 O ATOM 441 CB GLU A 47 14.330 -16.605 -8.228 1.00 0.00 C ATOM 442 CG GLU A 47 14.006 -16.491 -9.719 1.00 0.00 C ATOM 443 CD GLU A 47 15.233 -16.816 -10.574 1.00 0.00 C ATOM 444 OE1 GLU A 47 15.838 -15.907 -11.161 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.553 -18.065 -10.615 1.00 0.00 O ATOM 0 H GLU A 47 15.204 -16.351 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 47 15.622 -14.912 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.109 -17.352 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.449 -16.949 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.192 -17.171 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.659 -15.482 -9.943 1.00 0.00 H new ATOM 453 N ALA A 48 12.977 -14.062 -6.619 1.00 0.00 N ATOM 454 CA ALA A 48 11.883 -13.110 -6.545 1.00 0.00 C ATOM 455 C ALA A 48 12.449 -11.688 -6.533 1.00 0.00 C ATOM 456 O ALA A 48 11.837 -10.768 -7.072 1.00 0.00 O ATOM 457 CB ALA A 48 11.029 -13.407 -5.311 1.00 0.00 C ATOM 0 H ALA A 48 13.153 -14.577 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 48 11.237 -13.201 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.208 -12.692 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.626 -14.417 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.643 -13.323 -4.415 1.00 0.00 H new ATOM 463 N GLU A 49 13.612 -11.554 -5.913 1.00 0.00 N ATOM 464 CA GLU A 49 14.268 -10.261 -5.824 1.00 0.00 C ATOM 465 C GLU A 49 14.864 -9.874 -7.179 1.00 0.00 C ATOM 466 O GLU A 49 14.810 -8.711 -7.576 1.00 0.00 O ATOM 467 CB GLU A 49 15.342 -10.264 -4.734 1.00 0.00 C ATOM 468 CG GLU A 49 14.727 -9.997 -3.359 1.00 0.00 C ATOM 469 CD GLU A 49 15.800 -9.583 -2.350 1.00 0.00 C ATOM 470 OE1 GLU A 49 15.615 -8.601 -1.615 1.00 0.00 O ATOM 471 OE2 GLU A 49 16.857 -10.322 -2.344 1.00 0.00 O ATOM 0 H GLU A 49 14.117 -12.320 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 49 13.522 -9.515 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.855 -11.226 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 49 16.092 -9.504 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.975 -9.212 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.216 -10.892 -3.005 1.00 0.00 H new ATOM 479 N GLU A 50 15.420 -10.871 -7.852 1.00 0.00 N ATOM 480 CA GLU A 50 16.026 -10.649 -9.154 1.00 0.00 C ATOM 481 C GLU A 50 14.952 -10.301 -10.187 1.00 0.00 C ATOM 482 O GLU A 50 15.082 -9.319 -10.916 1.00 0.00 O ATOM 483 CB GLU A 50 16.837 -11.869 -9.596 1.00 0.00 C ATOM 484 CG GLU A 50 17.985 -12.145 -8.624 1.00 0.00 C ATOM 485 CD GLU A 50 19.137 -11.162 -8.842 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.923 -10.914 -7.916 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.200 -10.650 -10.024 1.00 0.00 O ATOM 0 H GLU A 50 15.463 -11.834 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 50 16.713 -9.806 -9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 50 16.186 -12.742 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.235 -11.702 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.625 -12.066 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.343 -13.166 -8.759 1.00 0.00 H new ATOM 495 N LEU A 51 13.914 -11.125 -10.215 1.00 0.00 N ATOM 496 CA LEU A 51 12.818 -10.916 -11.146 1.00 0.00 C ATOM 497 C LEU A 51 12.196 -9.541 -10.895 1.00 0.00 C ATOM 498 O LEU A 51 11.983 -8.773 -11.832 1.00 0.00 O ATOM 499 CB LEU A 51 11.816 -12.069 -11.061 1.00 0.00 C ATOM 500 CG LEU A 51 12.232 -13.372 -11.748 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.402 -14.551 -11.237 1.00 0.00 C ATOM 502 CD2 LEU A 51 12.158 -13.236 -13.271 1.00 0.00 C ATOM 0 H LEU A 51 13.809 -11.938 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 51 13.185 -10.918 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.625 -12.281 -10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.873 -11.737 -11.496 1.00 0.00 H new ATOM 0 HG LEU A 51 13.272 -13.576 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.718 -15.464 -11.741 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.549 -14.661 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.347 -14.369 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.459 -14.175 -13.735 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.136 -12.996 -13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.826 -12.440 -13.598 1.00 0.00 H new ATOM 514 N ALA A 52 11.923 -9.273 -9.627 1.00 0.00 N ATOM 515 CA ALA A 52 11.330 -8.004 -9.241 1.00 0.00 C ATOM 516 C ALA A 52 12.338 -6.880 -9.485 1.00 0.00 C ATOM 517 O ALA A 52 11.958 -5.769 -9.853 1.00 0.00 O ATOM 518 CB ALA A 52 10.877 -8.075 -7.781 1.00 0.00 C ATOM 0 H ALA A 52 12.102 -9.913 -8.853 1.00 0.00 H new ATOM 0 HA ALA A 52 10.448 -7.793 -9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.432 -7.123 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.140 -8.870 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.736 -8.283 -7.143 1.00 0.00 H new ATOM 524 N ARG A 53 13.604 -7.206 -9.271 1.00 0.00 N ATOM 525 CA ARG A 53 14.670 -6.238 -9.463 1.00 0.00 C ATOM 526 C ARG A 53 14.613 -5.660 -10.879 1.00 0.00 C ATOM 527 O ARG A 53 14.685 -4.446 -11.061 1.00 0.00 O ATOM 528 CB ARG A 53 16.042 -6.875 -9.235 1.00 0.00 C ATOM 529 CG ARG A 53 17.112 -6.195 -10.090 1.00 0.00 C ATOM 530 CD ARG A 53 18.516 -6.533 -9.583 1.00 0.00 C ATOM 531 NE ARG A 53 19.109 -7.605 -10.412 1.00 0.00 N ATOM 532 CZ ARG A 53 20.405 -7.944 -10.388 1.00 0.00 C ATOM 533 NH1 ARG A 53 21.252 -7.296 -9.576 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.855 -8.930 -11.175 1.00 0.00 N ATOM 0 H ARG A 53 13.916 -8.128 -8.966 1.00 0.00 H new ATOM 0 HA ARG A 53 14.528 -5.440 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.311 -6.799 -8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.999 -7.937 -9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.010 -6.513 -11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.965 -5.115 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.147 -5.645 -9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.469 -6.851 -8.542 1.00 0.00 H new ATOM 0 HE ARG A 53 18.492 -8.119 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.910 -6.545 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.239 -7.554 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.211 -9.423 -11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.842 -9.187 -11.156 1.00 0.00 H new ATOM 548 N GLU A 54 14.486 -6.558 -11.845 1.00 0.00 N ATOM 549 CA GLU A 54 14.419 -6.152 -13.239 1.00 0.00 C ATOM 550 C GLU A 54 13.024 -5.618 -13.570 1.00 0.00 C ATOM 551 O GLU A 54 12.888 -4.637 -14.300 1.00 0.00 O ATOM 552 CB GLU A 54 14.797 -7.310 -14.165 1.00 0.00 C ATOM 553 CG GLU A 54 16.299 -7.311 -14.456 1.00 0.00 C ATOM 554 CD GLU A 54 17.043 -8.239 -13.494 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.883 -7.773 -12.708 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.722 -9.485 -13.580 1.00 0.00 O ATOM 0 H GLU A 54 14.428 -7.565 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 54 15.140 -5.351 -13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.511 -8.256 -13.705 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.242 -7.229 -15.100 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.474 -7.630 -15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.691 -6.298 -14.366 1.00 0.00 H new ATOM 564 N LYS A 55 12.022 -6.287 -13.018 1.00 0.00 N ATOM 565 CA LYS A 55 10.643 -5.892 -13.246 1.00 0.00 C ATOM 566 C LYS A 55 10.490 -4.399 -12.952 1.00 0.00 C ATOM 567 O LYS A 55 9.985 -3.647 -13.785 1.00 0.00 O ATOM 568 CB LYS A 55 9.692 -6.778 -12.438 1.00 0.00 C ATOM 569 CG LYS A 55 8.306 -6.825 -13.084 1.00 0.00 C ATOM 570 CD LYS A 55 8.377 -7.417 -14.493 1.00 0.00 C ATOM 571 CE LYS A 55 9.457 -8.498 -14.580 1.00 0.00 C ATOM 572 NZ LYS A 55 9.221 -9.549 -13.565 1.00 0.00 N ATOM 0 H LYS A 55 12.138 -7.100 -12.413 1.00 0.00 H new ATOM 0 HA LYS A 55 10.371 -6.041 -14.291 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.099 -7.787 -12.369 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.610 -6.397 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.634 -7.423 -12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.888 -5.820 -13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.410 -7.842 -14.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.590 -6.627 -15.213 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.458 -8.940 -15.576 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.440 -8.052 -14.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.114 -10.042 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.860 -9.114 -12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.524 -10.230 -13.927 1.00 0.00 H new ATOM 586 N PHE A 56 10.935 -4.013 -11.766 1.00 0.00 N ATOM 587 CA PHE A 56 10.854 -2.622 -11.352 1.00 0.00 C ATOM 588 C PHE A 56 11.894 -1.771 -12.083 1.00 0.00 C ATOM 589 O PHE A 56 11.602 -0.652 -12.503 1.00 0.00 O ATOM 590 CB PHE A 56 11.145 -2.584 -9.850 1.00 0.00 C ATOM 591 CG PHE A 56 12.593 -2.230 -9.506 1.00 0.00 C ATOM 592 CD1 PHE A 56 13.075 -0.990 -9.787 1.00 0.00 C ATOM 593 CD2 PHE A 56 13.398 -3.155 -8.919 1.00 0.00 C ATOM 594 CE1 PHE A 56 14.419 -0.661 -9.468 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.742 -2.826 -8.599 1.00 0.00 C ATOM 596 CZ PHE A 56 15.224 -1.586 -8.880 1.00 0.00 C ATOM 0 H PHE A 56 11.353 -4.639 -11.078 1.00 0.00 H new ATOM 0 HA PHE A 56 9.867 -2.221 -11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.483 -1.857 -9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.907 -3.557 -9.419 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.435 -0.255 -10.253 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.015 -4.140 -8.696 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.802 0.324 -9.692 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.381 -3.561 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.246 -1.336 -8.636 1.00 0.00 H new ATOM 606 N GLU A 57 13.087 -2.333 -12.212 1.00 0.00 N ATOM 607 CA GLU A 57 14.172 -1.640 -12.885 1.00 0.00 C ATOM 608 C GLU A 57 13.812 -1.385 -14.350 1.00 0.00 C ATOM 609 O GLU A 57 14.459 -0.583 -15.021 1.00 0.00 O ATOM 610 CB GLU A 57 15.479 -2.426 -12.771 1.00 0.00 C ATOM 611 CG GLU A 57 16.641 -1.652 -13.396 1.00 0.00 C ATOM 612 CD GLU A 57 16.588 -0.174 -13.006 1.00 0.00 C ATOM 613 OE1 GLU A 57 16.481 0.696 -13.883 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.662 0.059 -11.739 1.00 0.00 O ATOM 0 H GLU A 57 13.326 -3.261 -11.862 1.00 0.00 H new ATOM 0 HA GLU A 57 14.321 -0.678 -12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.695 -2.629 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.372 -3.391 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.587 -2.084 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.604 -1.747 -14.481 1.00 0.00 H new ATOM 622 N LYS A 58 12.779 -2.082 -14.802 1.00 0.00 N ATOM 623 CA LYS A 58 12.325 -1.941 -16.175 1.00 0.00 C ATOM 624 C LYS A 58 11.430 -0.705 -16.287 1.00 0.00 C ATOM 625 O LYS A 58 11.162 -0.226 -17.388 1.00 0.00 O ATOM 626 CB LYS A 58 11.656 -3.231 -16.653 1.00 0.00 C ATOM 627 CG LYS A 58 12.685 -4.195 -17.246 1.00 0.00 C ATOM 628 CD LYS A 58 13.330 -3.605 -18.502 1.00 0.00 C ATOM 629 CE LYS A 58 13.745 -4.710 -19.475 1.00 0.00 C ATOM 630 NZ LYS A 58 14.882 -5.483 -18.928 1.00 0.00 N ATOM 0 H LYS A 58 12.244 -2.746 -14.242 1.00 0.00 H new ATOM 0 HA LYS A 58 13.172 -1.783 -16.842 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.143 -3.709 -15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.899 -2.997 -17.401 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.455 -4.412 -16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.203 -5.141 -17.491 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.629 -2.929 -18.992 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.202 -3.014 -18.224 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.901 -5.375 -19.660 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.023 -4.273 -20.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.151 -6.229 -19.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.691 -4.848 -18.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.604 -5.916 -18.024 1.00 0.00 H new ATOM 754 N VAL A 67 17.494 -0.449 -5.846 1.00 0.00 N ATOM 755 CA VAL A 67 17.305 -1.821 -6.287 1.00 0.00 C ATOM 756 C VAL A 67 17.379 -2.755 -5.078 1.00 0.00 C ATOM 757 O VAL A 67 16.568 -3.671 -4.947 1.00 0.00 O ATOM 758 CB VAL A 67 18.326 -2.167 -7.373 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.756 -2.000 -6.855 1.00 0.00 C ATOM 760 CG2 VAL A 67 18.098 -3.582 -7.909 1.00 0.00 C ATOM 0 HA VAL A 67 16.319 -1.946 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 67 18.186 -1.470 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.462 -2.252 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 67 19.912 -0.967 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.914 -2.662 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.837 -3.803 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.197 -4.300 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.097 -3.653 -8.335 1.00 0.00 H new ATOM 770 N GLU A 68 18.358 -2.492 -4.225 1.00 0.00 N ATOM 771 CA GLU A 68 18.547 -3.298 -3.031 1.00 0.00 C ATOM 772 C GLU A 68 17.342 -3.158 -2.099 1.00 0.00 C ATOM 773 O GLU A 68 16.967 -4.111 -1.417 1.00 0.00 O ATOM 774 CB GLU A 68 19.843 -2.916 -2.312 1.00 0.00 C ATOM 775 CG GLU A 68 19.671 -1.615 -1.525 1.00 0.00 C ATOM 776 CD GLU A 68 19.528 -0.419 -2.469 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.052 -0.449 -3.592 1.00 0.00 O ATOM 778 OE2 GLU A 68 18.843 0.567 -1.998 1.00 0.00 O ATOM 0 H GLU A 68 19.029 -1.732 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 68 18.630 -4.343 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.138 -3.718 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.646 -2.801 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.791 -1.686 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.529 -1.466 -0.870 1.00 0.00 H new ATOM 786 N GLU A 69 16.769 -1.964 -2.100 1.00 0.00 N ATOM 787 CA GLU A 69 15.614 -1.687 -1.263 1.00 0.00 C ATOM 788 C GLU A 69 14.362 -2.342 -1.853 1.00 0.00 C ATOM 789 O GLU A 69 13.600 -2.989 -1.137 1.00 0.00 O ATOM 790 CB GLU A 69 15.413 -0.181 -1.086 1.00 0.00 C ATOM 791 CG GLU A 69 14.411 0.111 0.033 1.00 0.00 C ATOM 792 CD GLU A 69 14.964 -0.327 1.391 1.00 0.00 C ATOM 793 OE1 GLU A 69 14.227 -0.904 2.204 1.00 0.00 O ATOM 794 OE2 GLU A 69 16.208 -0.048 1.589 1.00 0.00 O ATOM 0 H GLU A 69 17.083 -1.177 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 69 15.794 -2.114 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.368 0.292 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.058 0.254 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.185 1.177 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.474 -0.409 -0.167 1.00 0.00 H new ATOM 802 N LEU A 70 14.190 -2.150 -3.152 1.00 0.00 N ATOM 803 CA LEU A 70 13.044 -2.714 -3.846 1.00 0.00 C ATOM 804 C LEU A 70 13.024 -4.230 -3.640 1.00 0.00 C ATOM 805 O LEU A 70 12.025 -4.785 -3.184 1.00 0.00 O ATOM 806 CB LEU A 70 13.048 -2.293 -5.317 1.00 0.00 C ATOM 807 CG LEU A 70 11.675 -2.108 -5.966 1.00 0.00 C ATOM 808 CD1 LEU A 70 11.010 -3.459 -6.237 1.00 0.00 C ATOM 809 CD2 LEU A 70 10.788 -1.193 -5.120 1.00 0.00 C ATOM 0 H LEU A 70 14.824 -1.612 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 70 12.116 -2.323 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.598 -1.356 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.599 -3.041 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 70 11.816 -1.619 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.036 -3.299 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.637 -4.045 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.883 -3.997 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.818 -1.078 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.651 -1.631 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.262 -0.217 -5.021 1.00 0.00 H new ATOM 821 N VAL A 71 14.139 -4.857 -3.986 1.00 0.00 N ATOM 822 CA VAL A 71 14.261 -6.298 -3.845 1.00 0.00 C ATOM 823 C VAL A 71 13.942 -6.694 -2.402 1.00 0.00 C ATOM 824 O VAL A 71 13.159 -7.612 -2.165 1.00 0.00 O ATOM 825 CB VAL A 71 15.652 -6.751 -4.295 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.783 -6.686 -5.818 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.745 -5.925 -3.615 1.00 0.00 C ATOM 0 H VAL A 71 14.966 -4.394 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 71 13.543 -6.807 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 71 15.780 -7.790 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.780 -7.013 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.038 -7.337 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.624 -5.661 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.723 -6.268 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.620 -4.873 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.672 -6.044 -2.534 1.00 0.00 H new ATOM 837 N LYS A 72 14.564 -5.981 -1.475 1.00 0.00 N ATOM 838 CA LYS A 72 14.356 -6.246 -0.061 1.00 0.00 C ATOM 839 C LYS A 72 12.854 -6.316 0.224 1.00 0.00 C ATOM 840 O LYS A 72 12.400 -7.186 0.965 1.00 0.00 O ATOM 841 CB LYS A 72 15.097 -5.215 0.792 1.00 0.00 C ATOM 842 CG LYS A 72 15.438 -5.787 2.170 1.00 0.00 C ATOM 843 CD LYS A 72 14.175 -5.991 3.007 1.00 0.00 C ATOM 844 CE LYS A 72 13.847 -7.479 3.150 1.00 0.00 C ATOM 845 NZ LYS A 72 14.647 -8.084 4.237 1.00 0.00 N ATOM 0 H LYS A 72 15.213 -5.220 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 72 14.778 -7.213 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.012 -4.908 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.482 -4.323 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.959 -6.737 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.118 -5.112 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.313 -5.549 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.337 -5.473 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.785 -7.605 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.050 -7.994 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.412 -9.094 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.659 -7.981 4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.433 -7.604 5.134 1.00 0.00 H new ATOM 859 N LYS A 73 12.126 -5.387 -0.379 1.00 0.00 N ATOM 860 CA LYS A 73 10.685 -5.333 -0.198 1.00 0.00 C ATOM 861 C LYS A 73 10.039 -6.513 -0.928 1.00 0.00 C ATOM 862 O LYS A 73 8.977 -6.987 -0.530 1.00 0.00 O ATOM 863 CB LYS A 73 10.142 -3.970 -0.632 1.00 0.00 C ATOM 864 CG LYS A 73 10.043 -3.015 0.559 1.00 0.00 C ATOM 865 CD LYS A 73 11.412 -2.810 1.213 1.00 0.00 C ATOM 866 CE LYS A 73 11.290 -1.978 2.491 1.00 0.00 C ATOM 867 NZ LYS A 73 10.751 -0.634 2.185 1.00 0.00 N ATOM 0 H LYS A 73 12.507 -4.667 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 73 10.429 -5.432 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.793 -3.541 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.159 -4.094 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.647 -2.055 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.342 -3.414 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.856 -3.778 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.082 -2.312 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.637 -2.485 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.267 -1.885 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.832 -0.028 3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.291 -0.214 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.751 -0.715 1.912 1.00 0.00 H new ATOM 881 N VAL A 74 10.709 -6.952 -1.984 1.00 0.00 N ATOM 882 CA VAL A 74 10.213 -8.068 -2.772 1.00 0.00 C ATOM 883 C VAL A 74 10.339 -9.358 -1.959 1.00 0.00 C ATOM 884 O VAL A 74 9.349 -10.049 -1.728 1.00 0.00 O ATOM 885 CB VAL A 74 10.951 -8.130 -4.111 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.640 -9.435 -4.848 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.615 -6.916 -4.980 1.00 0.00 C ATOM 0 H VAL A 74 11.590 -6.556 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 74 9.156 -7.933 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 74 12.021 -8.108 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.177 -9.454 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.953 -10.282 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.568 -9.500 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.153 -6.985 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.543 -6.893 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.910 -6.004 -4.461 1.00 0.00 H new ATOM 897 N VAL A 75 11.566 -9.643 -1.549 1.00 0.00 N ATOM 898 CA VAL A 75 11.835 -10.838 -0.766 1.00 0.00 C ATOM 899 C VAL A 75 10.921 -10.855 0.461 1.00 0.00 C ATOM 900 O VAL A 75 10.406 -11.905 0.841 1.00 0.00 O ATOM 901 CB VAL A 75 13.321 -10.904 -0.407 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.577 -10.303 0.976 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.839 -12.342 -0.484 1.00 0.00 C ATOM 0 H VAL A 75 12.385 -9.067 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 75 11.615 -11.734 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 75 13.870 -10.310 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.641 -10.362 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.262 -9.260 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.012 -10.858 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.897 -12.362 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.282 -12.967 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.707 -12.723 -1.497 1.00 0.00 H new ATOM 913 N ALA A 76 10.749 -9.679 1.047 1.00 0.00 N ATOM 914 CA ALA A 76 9.906 -9.546 2.223 1.00 0.00 C ATOM 915 C ALA A 76 8.493 -10.027 1.890 1.00 0.00 C ATOM 916 O ALA A 76 7.928 -10.851 2.608 1.00 0.00 O ATOM 917 CB ALA A 76 9.929 -8.094 2.705 1.00 0.00 C ATOM 0 H ALA A 76 11.179 -8.810 0.729 1.00 0.00 H new ATOM 0 HA ALA A 76 10.282 -10.166 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.297 -7.993 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.951 -7.810 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.556 -7.442 1.915 1.00 0.00 H new ATOM 923 N VAL A 77 7.962 -9.493 0.800 1.00 0.00 N ATOM 924 CA VAL A 77 6.625 -9.858 0.363 1.00 0.00 C ATOM 925 C VAL A 77 6.585 -11.357 0.056 1.00 0.00 C ATOM 926 O VAL A 77 5.659 -12.054 0.469 1.00 0.00 O ATOM 927 CB VAL A 77 6.209 -8.993 -0.828 1.00 0.00 C ATOM 928 CG1 VAL A 77 6.241 -9.798 -2.129 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.829 -8.373 -0.601 1.00 0.00 C ATOM 0 H VAL A 77 8.433 -8.810 0.206 1.00 0.00 H new ATOM 0 HA VAL A 77 5.900 -9.668 1.154 1.00 0.00 H new ATOM 0 HB VAL A 77 6.930 -8.181 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.941 -9.159 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.251 -10.169 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.554 -10.640 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.558 -7.763 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.091 -9.165 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.853 -7.749 0.292 1.00 0.00 H new ATOM 939 N CYS A 78 7.600 -11.808 -0.666 1.00 0.00 N ATOM 940 CA CYS A 78 7.692 -13.211 -1.033 1.00 0.00 C ATOM 941 C CYS A 78 7.559 -14.050 0.240 1.00 0.00 C ATOM 942 O CYS A 78 6.755 -14.979 0.294 1.00 0.00 O ATOM 943 CB CYS A 78 8.990 -13.515 -1.783 1.00 0.00 C ATOM 944 SG CYS A 78 8.762 -14.976 -2.861 1.00 0.00 S ATOM 0 H CYS A 78 8.366 -11.227 -1.007 1.00 0.00 H new ATOM 0 HA CYS A 78 6.884 -13.464 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.284 -12.653 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.796 -13.699 -1.072 1.00 0.00 H new ATOM 0 HG CYS A 78 9.922 -15.481 -3.159 1.00 0.00 H new ATOM 950 N GLU A 79 8.359 -13.692 1.233 1.00 0.00 N ATOM 951 CA GLU A 79 8.341 -14.400 2.502 1.00 0.00 C ATOM 952 C GLU A 79 7.037 -14.116 3.249 1.00 0.00 C ATOM 953 O GLU A 79 6.571 -14.945 4.030 1.00 0.00 O ATOM 954 CB GLU A 79 9.555 -14.028 3.355 1.00 0.00 C ATOM 955 CG GLU A 79 10.836 -14.639 2.783 1.00 0.00 C ATOM 956 CD GLU A 79 12.056 -14.225 3.608 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.146 -14.567 4.797 1.00 0.00 O ATOM 958 OE2 GLU A 79 12.932 -13.524 2.972 1.00 0.00 O ATOM 0 H GLU A 79 9.024 -12.920 1.185 1.00 0.00 H new ATOM 0 HA GLU A 79 8.395 -15.470 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.654 -12.943 3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.406 -14.377 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.752 -15.726 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.966 -14.319 1.749 1.00 0.00 H new ATOM 966 N GLU A 80 6.484 -12.942 2.984 1.00 0.00 N ATOM 967 CA GLU A 80 5.242 -12.538 3.622 1.00 0.00 C ATOM 968 C GLU A 80 4.082 -13.398 3.117 1.00 0.00 C ATOM 969 O GLU A 80 3.044 -13.492 3.771 1.00 0.00 O ATOM 970 CB GLU A 80 4.965 -11.051 3.390 1.00 0.00 C ATOM 971 CG GLU A 80 3.761 -10.584 4.210 1.00 0.00 C ATOM 972 CD GLU A 80 3.870 -11.055 5.662 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.476 -12.187 5.978 1.00 0.00 O ATOM 974 OE2 GLU A 80 4.386 -10.197 6.476 1.00 0.00 O ATOM 0 H GLU A 80 6.873 -12.257 2.336 1.00 0.00 H new ATOM 0 HA GLU A 80 5.341 -12.692 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.844 -10.467 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.780 -10.873 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.696 -9.496 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.843 -10.970 3.767 1.00 0.00 H new ATOM 982 N LEU A 81 4.296 -14.003 1.958 1.00 0.00 N ATOM 983 CA LEU A 81 3.281 -14.851 1.358 1.00 0.00 C ATOM 984 C LEU A 81 3.354 -16.246 1.983 1.00 0.00 C ATOM 985 O LEU A 81 2.394 -17.012 1.913 1.00 0.00 O ATOM 986 CB LEU A 81 3.417 -14.853 -0.166 1.00 0.00 C ATOM 987 CG LEU A 81 2.601 -13.795 -0.913 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.597 -14.068 -2.418 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.184 -13.694 -0.345 1.00 0.00 C ATOM 0 H LEU A 81 5.158 -13.923 1.418 1.00 0.00 H new ATOM 0 HA LEU A 81 2.285 -14.459 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.469 -14.717 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.126 -15.836 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 81 3.078 -12.826 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.010 -13.302 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.620 -14.050 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.158 -15.047 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.625 -12.935 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.683 -14.657 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.233 -13.418 0.708 1.00 0.00 H new ATOM 1001 N GLY A 82 4.501 -16.533 2.579 1.00 0.00 N ATOM 1002 CA GLY A 82 4.712 -17.822 3.216 1.00 0.00 C ATOM 1003 C GLY A 82 3.929 -18.923 2.497 1.00 0.00 C ATOM 1004 O GLY A 82 3.096 -19.595 3.104 1.00 0.00 O ATOM 0 H GLY A 82 5.295 -15.895 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.775 -18.064 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.401 -17.771 4.259 1.00 0.00 H new ATOM 1008 N ALA A 83 4.224 -19.074 1.215 1.00 0.00 N ATOM 1009 CA ALA A 83 3.559 -20.082 0.407 1.00 0.00 C ATOM 1010 C ALA A 83 4.597 -20.812 -0.447 1.00 0.00 C ATOM 1011 O ALA A 83 5.429 -20.180 -1.095 1.00 0.00 O ATOM 1012 CB ALA A 83 2.469 -19.420 -0.439 1.00 0.00 C ATOM 0 H ALA A 83 4.915 -18.515 0.715 1.00 0.00 H new ATOM 0 HA ALA A 83 3.074 -20.824 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.970 -20.176 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.741 -18.941 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.919 -18.671 -1.091 1.00 0.00 H new ATOM 1018 N GLU A 84 4.514 -22.134 -0.420 1.00 0.00 N ATOM 1019 CA GLU A 84 5.436 -22.958 -1.184 1.00 0.00 C ATOM 1020 C GLU A 84 4.706 -24.167 -1.772 1.00 0.00 C ATOM 1021 O GLU A 84 5.334 -25.164 -2.125 1.00 0.00 O ATOM 1022 CB GLU A 84 6.621 -23.398 -0.321 1.00 0.00 C ATOM 1023 CG GLU A 84 6.188 -24.437 0.716 1.00 0.00 C ATOM 1024 CD GLU A 84 6.412 -25.858 0.196 1.00 0.00 C ATOM 1025 OE1 GLU A 84 7.233 -26.064 -0.711 1.00 0.00 O ATOM 1026 OE2 GLU A 84 5.699 -26.767 0.768 1.00 0.00 O ATOM 0 H GLU A 84 3.822 -22.655 0.119 1.00 0.00 H new ATOM 0 HA GLU A 84 5.830 -22.362 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.402 -23.816 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.050 -22.532 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.750 -24.291 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.135 -24.297 0.959 1.00 0.00 H new ATOM 1034 N GLU A 85 3.390 -24.039 -1.858 1.00 0.00 N ATOM 1035 CA GLU A 85 2.568 -25.109 -2.397 1.00 0.00 C ATOM 1036 C GLU A 85 1.136 -24.996 -1.868 1.00 0.00 C ATOM 1037 O GLU A 85 0.911 -24.453 -0.788 1.00 0.00 O ATOM 1038 CB GLU A 85 3.167 -26.478 -2.070 1.00 0.00 C ATOM 1039 CG GLU A 85 3.926 -27.045 -3.271 1.00 0.00 C ATOM 1040 CD GLU A 85 4.929 -28.114 -2.831 1.00 0.00 C ATOM 1041 OE1 GLU A 85 6.145 -27.875 -2.867 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.405 -29.225 -2.439 1.00 0.00 O ATOM 0 H GLU A 85 2.873 -23.211 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 85 2.543 -25.010 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.841 -26.390 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.373 -27.166 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.220 -27.474 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.450 -26.241 -3.788 1.00 0.00 H new ATOM 1050 N CYS A 86 0.206 -25.517 -2.655 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.197 -25.482 -2.280 1.00 0.00 C ATOM 1052 C CYS A 86 -1.615 -26.889 -1.848 1.00 0.00 C ATOM 1053 O CYS A 86 -1.392 -27.857 -2.574 1.00 0.00 O ATOM 1054 CB CYS A 86 -2.073 -24.950 -3.416 1.00 0.00 C ATOM 1055 SG CYS A 86 -2.233 -26.215 -4.728 1.00 0.00 S ATOM 0 H CYS A 86 0.397 -25.966 -3.551 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.336 -24.792 -1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.058 -24.685 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.636 -24.040 -3.828 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.898 -27.378 -4.253 1.00 0.00 H new ATOM 1060 N PHE A 87 -2.212 -26.958 -0.668 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.663 -28.231 -0.131 1.00 0.00 C ATOM 1062 C PHE A 87 -4.093 -28.540 -0.578 1.00 0.00 C ATOM 1063 O PHE A 87 -4.579 -29.655 -0.394 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.634 -28.109 1.394 1.00 0.00 C ATOM 1065 CG PHE A 87 -1.233 -27.909 1.975 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -0.225 -28.754 1.627 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -0.995 -26.887 2.840 1.00 0.00 C ATOM 1068 CE1 PHE A 87 1.075 -28.568 2.167 1.00 0.00 C ATOM 1069 CE2 PHE A 87 0.305 -26.701 3.380 1.00 0.00 C ATOM 1070 CZ PHE A 87 1.313 -27.546 3.032 1.00 0.00 C ATOM 0 H PHE A 87 -2.394 -26.153 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.018 -29.034 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.263 -27.271 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.072 -29.008 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.414 -29.566 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.795 -26.216 3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.875 -29.239 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.494 -25.889 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.302 -27.405 3.443 1.00 0.00 H new ATOM 1080 N SER A 88 -4.728 -27.532 -1.158 1.00 0.00 N ATOM 1081 CA SER A 88 -6.093 -27.681 -1.634 1.00 0.00 C ATOM 1082 C SER A 88 -6.160 -28.780 -2.696 1.00 0.00 C ATOM 1083 O SER A 88 -7.034 -29.643 -2.647 1.00 0.00 O ATOM 1084 CB SER A 88 -6.627 -26.363 -2.199 1.00 0.00 C ATOM 1085 OG SER A 88 -7.263 -25.572 -1.199 1.00 0.00 O ATOM 0 H SER A 88 -4.322 -26.608 -1.309 1.00 0.00 H new ATOM 0 HA SER A 88 -6.721 -27.963 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.805 -25.798 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.336 -26.573 -3.000 1.00 0.00 H new ATOM 0 HG SER A 88 -7.295 -24.637 -1.492 1.00 0.00 H new ATOM 1091 N CYS A 89 -5.224 -28.712 -3.632 1.00 0.00 N ATOM 1092 CA CYS A 89 -5.166 -29.690 -4.704 1.00 0.00 C ATOM 1093 C CYS A 89 -4.935 -31.070 -4.084 1.00 0.00 C ATOM 1094 O CYS A 89 -5.152 -32.091 -4.734 1.00 0.00 O ATOM 1095 CB CYS A 89 -4.088 -29.339 -5.732 1.00 0.00 C ATOM 1096 SG CYS A 89 -4.735 -28.107 -6.921 1.00 0.00 S ATOM 0 H CYS A 89 -4.500 -27.994 -3.670 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.110 -29.691 -5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -3.208 -28.942 -5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.773 -30.238 -6.262 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.812 -27.814 -7.788 1.00 0.00 H new