USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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: B 38 GLN : amide:sc= 0.0818 K(o=-2.1,f=-0.99) USER MOD Set 1.2: B 41 GLN : amide:sc= -2.16! K(o=-2.1!,f=-0.99) USER MOD Set 2.1: A 50 TYR OH : rot -132:sc= 0.184 USER MOD Set 2.2: B 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 25 LYS NZ :NH3+ -166:sc= -1.29 (180deg=-1.9) USER MOD Set 3.2: B 26 THR OG1 : rot 80:sc= 0.315 USER MOD Set 4.1: A 38 GLN : amide:sc= 0.0982 K(o=-1.9,f=-0.97) USER MOD Set 4.2: A 41 GLN : amide:sc= -2.03! K(o=-1.9!,f=-0.97) USER MOD Set 5.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: B 50 TYR OH : rot -136:sc= 0.166 USER MOD Set 6.1: A 25 LYS NZ :NH3+ -167:sc= -1.34 (180deg=-1.8!) USER MOD Set 6.2: A 26 THR OG1 : rot 82:sc= 0.333 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -139:sc= -1.5 (180deg=-1.7) USER MOD Single : A 22 LYS NZ :NH3+ -111:sc= -2.45 (180deg=-3.94!) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0386 (180deg=-0.279) USER MOD Single : A 32 CYS SG : rot -108:sc= -4.68! USER MOD Single : A 34 LYS NZ :NH3+ 168:sc=-0.00439 (180deg=-0.121) USER MOD Single : A 35 ASN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 36 ASN : amide:sc=-0.00848 K(o=-0.0085,f=-0.92) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0914 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.71! K(o=-4.7!,f=-1.1) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -144:sc= -1.46 (180deg=-1.7) USER MOD Single : B 22 LYS NZ :NH3+ -107:sc= -2.37 (180deg=-3.83!) USER MOD Single : B 29 LYS NZ :NH3+ 165:sc= -0.0376 (180deg=-0.303) USER MOD Single : B 32 CYS SG : rot -109:sc= -4.71! USER MOD Single : B 34 LYS NZ :NH3+ 169:sc=-0.00708 (180deg=-0.137) USER MOD Single : B 35 ASN : amide:sc= 0.608 K(o=0.61,f=0) USER MOD Single : B 36 ASN : amide:sc=-0.00457 K(o=-0.0046,f=-0.9) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN : amide:sc= -5! K(o=-5!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -8.100 6.619 8.772 1.00 0.00 N ATOM 63 CA ALA A 14 -8.111 5.404 9.558 1.00 0.00 C ATOM 64 C ALA A 14 -6.687 5.012 9.899 1.00 0.00 C ATOM 65 O ALA A 14 -5.741 5.556 9.340 1.00 0.00 O ATOM 66 CB ALA A 14 -8.789 4.290 8.786 1.00 0.00 C ATOM 0 HA ALA A 14 -8.667 5.576 10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.792 3.380 9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.815 4.578 8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.248 4.110 7.857 1.00 0.00 H new ATOM 72 N VAL A 15 -6.530 4.064 10.801 1.00 0.00 N ATOM 73 CA VAL A 15 -5.206 3.609 11.179 1.00 0.00 C ATOM 74 C VAL A 15 -4.976 2.218 10.618 1.00 0.00 C ATOM 75 O VAL A 15 -5.929 1.511 10.281 1.00 0.00 O ATOM 76 CB VAL A 15 -5.016 3.561 12.708 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.541 3.655 13.082 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.822 4.651 13.396 1.00 0.00 C ATOM 0 H VAL A 15 -7.297 3.596 11.284 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.489 4.322 10.773 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.389 2.598 13.057 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.438 3.619 14.166 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.999 2.820 12.638 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.130 4.594 12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.668 4.592 14.473 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.496 5.627 13.036 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.880 4.517 13.173 1.00 0.00 H new ATOM 88 N PHE A 16 -3.723 1.826 10.532 1.00 0.00 N ATOM 89 CA PHE A 16 -3.374 0.528 9.996 1.00 0.00 C ATOM 90 C PHE A 16 -2.103 0.028 10.659 1.00 0.00 C ATOM 91 O PHE A 16 -1.087 0.722 10.664 1.00 0.00 O ATOM 92 CB PHE A 16 -3.186 0.627 8.483 1.00 0.00 C ATOM 93 CG PHE A 16 -3.499 -0.643 7.746 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.628 -1.380 8.065 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.677 -1.090 6.727 1.00 0.00 C ATOM 96 CE1 PHE A 16 -4.930 -2.541 7.382 1.00 0.00 C ATOM 97 CE2 PHE A 16 -2.977 -2.248 6.037 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.104 -2.975 6.366 1.00 0.00 C ATOM 0 H PHE A 16 -2.926 2.390 10.828 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.178 -0.179 10.201 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.822 1.424 8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.155 0.913 8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.279 -1.042 8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.792 -0.528 6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.811 -3.108 7.643 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.330 -2.585 5.240 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.338 -3.882 5.829 1.00 0.00 H new ATOM 108 N GLY A 17 -2.178 -1.158 11.243 1.00 0.00 N ATOM 109 CA GLY A 17 -1.028 -1.746 11.899 1.00 0.00 C ATOM 110 C GLY A 17 -0.782 -3.156 11.417 1.00 0.00 C ATOM 111 O GLY A 17 -1.371 -4.106 11.937 1.00 0.00 O ATOM 0 H GLY A 17 -3.023 -1.729 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.146 -1.135 11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.185 -1.750 12.978 1.00 0.00 H new ATOM 115 N ILE A 18 0.073 -3.296 10.416 1.00 0.00 N ATOM 116 CA ILE A 18 0.297 -4.586 9.785 1.00 0.00 C ATOM 117 C ILE A 18 1.765 -4.983 9.820 1.00 0.00 C ATOM 118 O ILE A 18 2.638 -4.160 10.102 1.00 0.00 O ATOM 119 CB ILE A 18 -0.176 -4.574 8.323 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.539 -3.472 7.529 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.679 -4.385 8.275 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.297 -3.542 6.038 1.00 0.00 C ATOM 0 H ILE A 18 0.623 -2.532 10.023 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.281 -5.315 10.353 1.00 0.00 H new ATOM 0 HB ILE A 18 0.074 -5.530 7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.210 -2.500 7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.611 -3.538 7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.012 -4.377 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.166 -5.203 8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.942 -3.439 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.834 -2.732 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.653 -4.499 5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.770 -3.445 5.838 1.00 0.00 H new ATOM 134 N TYR A 19 2.024 -6.253 9.538 1.00 0.00 N ATOM 135 CA TYR A 19 3.383 -6.751 9.431 1.00 0.00 C ATOM 136 C TYR A 19 3.709 -7.058 7.976 1.00 0.00 C ATOM 137 O TYR A 19 3.428 -8.150 7.481 1.00 0.00 O ATOM 138 CB TYR A 19 3.581 -8.005 10.284 1.00 0.00 C ATOM 139 CG TYR A 19 3.378 -7.783 11.764 1.00 0.00 C ATOM 140 CD1 TYR A 19 4.270 -7.017 12.503 1.00 0.00 C ATOM 141 CD2 TYR A 19 2.298 -8.355 12.425 1.00 0.00 C ATOM 142 CE1 TYR A 19 4.089 -6.829 13.859 1.00 0.00 C ATOM 143 CE2 TYR A 19 2.112 -8.166 13.782 1.00 0.00 C ATOM 144 CZ TYR A 19 3.013 -7.403 14.493 1.00 0.00 C ATOM 145 OH TYR A 19 2.838 -7.210 15.844 1.00 0.00 O ATOM 0 H TYR A 19 1.304 -6.958 9.379 1.00 0.00 H new ATOM 0 HA TYR A 19 4.058 -5.979 9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.888 -8.775 9.945 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.588 -8.388 10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.117 -6.562 12.011 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.593 -8.956 11.870 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.792 -6.232 14.421 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.266 -8.614 14.282 1.00 0.00 H new ATOM 0 HH TYR A 19 2.031 -7.680 16.140 1.00 0.00 H new ATOM 155 N MET A 20 4.289 -6.083 7.304 1.00 0.00 N ATOM 156 CA MET A 20 4.621 -6.208 5.886 1.00 0.00 C ATOM 157 C MET A 20 6.122 -6.410 5.723 1.00 0.00 C ATOM 158 O MET A 20 6.892 -6.058 6.618 1.00 0.00 O ATOM 159 CB MET A 20 4.159 -4.957 5.118 1.00 0.00 C ATOM 160 CG MET A 20 4.830 -3.668 5.569 1.00 0.00 C ATOM 161 SD MET A 20 4.041 -2.191 4.887 1.00 0.00 S ATOM 162 CE MET A 20 4.398 -2.362 3.138 1.00 0.00 C ATOM 0 H MET A 20 4.545 -5.185 7.716 1.00 0.00 H new ATOM 0 HA MET A 20 4.103 -7.074 5.474 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.354 -5.103 4.056 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.080 -4.852 5.232 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.810 -3.615 6.658 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.878 -3.685 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.666 -1.390 2.725 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.228 -3.055 3.002 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.517 -2.745 2.623 1.00 0.00 H new ATOM 172 N ASP A 21 6.541 -6.988 4.596 1.00 0.00 N ATOM 173 CA ASP A 21 7.955 -7.239 4.355 1.00 0.00 C ATOM 174 C ASP A 21 8.765 -5.961 4.464 1.00 0.00 C ATOM 175 O ASP A 21 8.284 -4.865 4.161 1.00 0.00 O ATOM 176 CB ASP A 21 8.216 -7.877 2.989 1.00 0.00 C ATOM 177 CG ASP A 21 8.078 -9.390 2.998 1.00 0.00 C ATOM 178 OD1 ASP A 21 6.969 -9.899 3.253 1.00 0.00 O ATOM 179 OD2 ASP A 21 9.092 -10.079 2.736 1.00 0.00 O ATOM 0 H ASP A 21 5.922 -7.288 3.842 1.00 0.00 H new ATOM 0 HA ASP A 21 8.269 -7.943 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.520 -7.460 2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.220 -7.612 2.658 1.00 0.00 H new ATOM 184 N LYS A 22 10.010 -6.109 4.872 1.00 0.00 N ATOM 185 CA LYS A 22 10.854 -4.969 5.136 1.00 0.00 C ATOM 186 C LYS A 22 11.382 -4.408 3.841 1.00 0.00 C ATOM 187 O LYS A 22 11.111 -3.269 3.513 1.00 0.00 O ATOM 188 CB LYS A 22 12.014 -5.354 6.049 1.00 0.00 C ATOM 189 CG LYS A 22 13.014 -4.228 6.251 1.00 0.00 C ATOM 190 CD LYS A 22 14.045 -4.542 7.331 1.00 0.00 C ATOM 191 CE LYS A 22 13.464 -4.438 8.739 1.00 0.00 C ATOM 192 NZ LYS A 22 12.616 -5.607 9.101 1.00 0.00 N ATOM 0 H LYS A 22 10.457 -7.012 5.027 1.00 0.00 H new ATOM 0 HA LYS A 22 10.257 -4.209 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.620 -5.660 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.529 -6.218 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.528 -4.031 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.479 -3.317 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.435 -5.548 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.886 -3.856 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.279 -4.350 9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.871 -3.527 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.622 -5.308 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.710 -6.343 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.923 -5.988 10.019 1.00 0.00 H new ATOM 206 N ASP A 23 12.103 -5.236 3.105 1.00 0.00 N ATOM 207 CA ASP A 23 12.727 -4.828 1.848 1.00 0.00 C ATOM 208 C ASP A 23 11.742 -4.104 0.931 1.00 0.00 C ATOM 209 O ASP A 23 12.106 -3.158 0.238 1.00 0.00 O ATOM 210 CB ASP A 23 13.301 -6.057 1.138 1.00 0.00 C ATOM 211 CG ASP A 23 13.728 -5.775 -0.290 1.00 0.00 C ATOM 212 OD1 ASP A 23 14.859 -5.285 -0.498 1.00 0.00 O ATOM 213 OD2 ASP A 23 12.938 -6.057 -1.215 1.00 0.00 O ATOM 0 H ASP A 23 12.275 -6.209 3.357 1.00 0.00 H new ATOM 0 HA ASP A 23 13.529 -4.128 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.158 -6.427 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.554 -6.851 1.137 1.00 0.00 H new ATOM 218 N LEU A 24 10.493 -4.543 0.948 1.00 0.00 N ATOM 219 CA LEU A 24 9.449 -3.930 0.150 1.00 0.00 C ATOM 220 C LEU A 24 9.039 -2.572 0.715 1.00 0.00 C ATOM 221 O LEU A 24 9.103 -1.555 0.021 1.00 0.00 O ATOM 222 CB LEU A 24 8.247 -4.857 0.113 1.00 0.00 C ATOM 223 CG LEU A 24 6.918 -4.167 -0.120 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.407 -4.446 -1.517 1.00 0.00 C ATOM 225 CD2 LEU A 24 5.932 -4.609 0.940 1.00 0.00 C ATOM 0 H LEU A 24 10.178 -5.331 1.514 1.00 0.00 H new ATOM 0 HA LEU A 24 9.832 -3.768 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.400 -5.595 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.197 -5.402 1.056 1.00 0.00 H new ATOM 0 HG LEU A 24 7.048 -3.088 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.452 -3.941 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.127 -4.078 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.273 -5.520 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.975 -4.114 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.797 -5.689 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.313 -4.342 1.926 1.00 0.00 H new ATOM 237 N LYS A 25 8.604 -2.567 1.972 1.00 0.00 N ATOM 238 CA LYS A 25 8.203 -1.338 2.644 1.00 0.00 C ATOM 239 C LYS A 25 9.363 -0.350 2.657 1.00 0.00 C ATOM 240 O LYS A 25 9.179 0.861 2.574 1.00 0.00 O ATOM 241 CB LYS A 25 7.799 -1.653 4.080 1.00 0.00 C ATOM 242 CG LYS A 25 7.158 -0.487 4.800 1.00 0.00 C ATOM 243 CD LYS A 25 7.039 -0.750 6.292 1.00 0.00 C ATOM 244 CE LYS A 25 8.293 -0.324 7.051 1.00 0.00 C ATOM 245 NZ LYS A 25 9.504 -1.084 6.635 1.00 0.00 N ATOM 0 H LYS A 25 8.521 -3.405 2.547 1.00 0.00 H new ATOM 0 HA LYS A 25 7.360 -0.899 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.105 -2.493 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.681 -1.971 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.749 0.414 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.169 -0.300 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.177 -0.213 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.857 -1.812 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.465 0.740 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.131 -0.464 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.269 -0.919 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.282 -2.099 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.808 -0.765 5.693 1.00 0.00 H new ATOM 259 N THR A 26 10.560 -0.897 2.761 1.00 0.00 N ATOM 260 CA THR A 26 11.775 -0.111 2.844 1.00 0.00 C ATOM 261 C THR A 26 12.169 0.420 1.470 1.00 0.00 C ATOM 262 O THR A 26 12.734 1.505 1.350 1.00 0.00 O ATOM 263 CB THR A 26 12.915 -0.936 3.479 1.00 0.00 C ATOM 264 OG1 THR A 26 12.587 -1.208 4.852 1.00 0.00 O ATOM 265 CG2 THR A 26 14.254 -0.206 3.411 1.00 0.00 C ATOM 0 H THR A 26 10.716 -1.904 2.790 1.00 0.00 H new ATOM 0 HA THR A 26 11.588 0.748 3.489 1.00 0.00 H new ATOM 0 HB THR A 26 13.016 -1.864 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.985 -1.980 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.028 -0.822 3.869 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.512 -0.015 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.180 0.741 3.946 1.00 0.00 H new ATOM 273 N ARG A 27 11.837 -0.334 0.435 1.00 0.00 N ATOM 274 CA ARG A 27 11.999 0.133 -0.934 1.00 0.00 C ATOM 275 C ARG A 27 11.190 1.409 -1.130 1.00 0.00 C ATOM 276 O ARG A 27 11.705 2.439 -1.569 1.00 0.00 O ATOM 277 CB ARG A 27 11.529 -0.952 -1.908 1.00 0.00 C ATOM 278 CG ARG A 27 11.279 -0.464 -3.323 1.00 0.00 C ATOM 279 CD ARG A 27 12.551 0.043 -3.993 1.00 0.00 C ATOM 280 NE ARG A 27 13.570 -1.004 -4.125 1.00 0.00 N ATOM 281 CZ ARG A 27 14.789 -0.798 -4.627 1.00 0.00 C ATOM 282 NH1 ARG A 27 15.121 0.396 -5.108 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.676 -1.789 -4.658 1.00 0.00 N ATOM 0 H ARG A 27 11.452 -1.275 0.516 1.00 0.00 H new ATOM 0 HA ARG A 27 13.050 0.345 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.277 -1.744 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.611 -1.395 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.857 -1.276 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.538 0.335 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.307 0.435 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.958 0.871 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 27 13.332 -1.946 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.443 1.158 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.054 0.550 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.425 -2.710 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.607 -1.628 -5.042 1.00 0.00 H new ATOM 297 N LEU A 28 9.914 1.313 -0.802 1.00 0.00 N ATOM 298 CA LEU A 28 9.017 2.447 -0.799 1.00 0.00 C ATOM 299 C LEU A 28 9.514 3.550 0.142 1.00 0.00 C ATOM 300 O LEU A 28 9.353 4.734 -0.144 1.00 0.00 O ATOM 301 CB LEU A 28 7.633 1.950 -0.392 1.00 0.00 C ATOM 302 CG LEU A 28 6.480 2.913 -0.596 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.437 3.921 0.527 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.616 3.583 -1.944 1.00 0.00 C ATOM 0 H LEU A 28 9.470 0.436 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 28 8.974 2.889 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.420 1.039 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.666 1.676 0.662 1.00 0.00 H new ATOM 0 HG LEU A 28 5.537 2.367 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.605 4.607 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.304 3.402 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.371 4.483 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.787 4.276 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.558 4.130 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.601 2.827 -2.729 1.00 0.00 H new ATOM 316 N LYS A 29 10.103 3.162 1.265 1.00 0.00 N ATOM 317 CA LYS A 29 10.685 4.126 2.196 1.00 0.00 C ATOM 318 C LYS A 29 11.724 4.981 1.480 1.00 0.00 C ATOM 319 O LYS A 29 11.773 6.197 1.652 1.00 0.00 O ATOM 320 CB LYS A 29 11.294 3.391 3.401 1.00 0.00 C ATOM 321 CG LYS A 29 11.951 4.288 4.442 1.00 0.00 C ATOM 322 CD LYS A 29 13.377 4.647 4.058 1.00 0.00 C ATOM 323 CE LYS A 29 14.030 5.527 5.104 1.00 0.00 C ATOM 324 NZ LYS A 29 14.104 4.853 6.425 1.00 0.00 N ATOM 0 H LYS A 29 10.192 2.188 1.555 1.00 0.00 H new ATOM 0 HA LYS A 29 9.904 4.789 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.510 2.811 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.036 2.681 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.365 5.200 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.951 3.784 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.961 3.735 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.377 5.161 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.034 5.796 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.467 6.455 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.756 5.375 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.158 4.831 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.449 3.880 6.299 1.00 0.00 H new ATOM 338 N VAL A 30 12.536 4.337 0.661 1.00 0.00 N ATOM 339 CA VAL A 30 13.539 5.031 -0.132 1.00 0.00 C ATOM 340 C VAL A 30 12.876 5.923 -1.166 1.00 0.00 C ATOM 341 O VAL A 30 13.366 7.004 -1.488 1.00 0.00 O ATOM 342 CB VAL A 30 14.471 4.025 -0.819 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.518 4.728 -1.668 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.116 3.142 0.231 1.00 0.00 C ATOM 0 H VAL A 30 12.521 3.326 0.526 1.00 0.00 H new ATOM 0 HA VAL A 30 14.132 5.655 0.536 1.00 0.00 H new ATOM 0 HB VAL A 30 13.883 3.403 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.162 3.986 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.024 5.322 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.120 5.381 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.779 2.426 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.691 3.759 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.342 2.606 0.781 1.00 0.00 H new ATOM 354 N TYR A 31 11.743 5.471 -1.655 1.00 0.00 N ATOM 355 CA TYR A 31 10.943 6.240 -2.583 1.00 0.00 C ATOM 356 C TYR A 31 10.431 7.504 -1.893 1.00 0.00 C ATOM 357 O TYR A 31 10.372 8.582 -2.495 1.00 0.00 O ATOM 358 CB TYR A 31 9.781 5.382 -3.075 1.00 0.00 C ATOM 359 CG TYR A 31 8.882 6.086 -4.051 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.234 6.201 -5.385 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.683 6.644 -3.634 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.417 6.855 -6.278 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.860 7.301 -4.520 1.00 0.00 C ATOM 364 CZ TYR A 31 7.229 7.407 -5.844 1.00 0.00 C ATOM 365 OH TYR A 31 6.410 8.063 -6.736 1.00 0.00 O ATOM 0 H TYR A 31 11.350 4.560 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 31 11.547 6.537 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.179 4.482 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.190 5.060 -2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.163 5.771 -5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.390 6.562 -2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.705 6.936 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.930 7.731 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 31 5.613 8.391 -6.269 1.00 0.00 H new ATOM 375 N CYS A 32 10.086 7.362 -0.618 1.00 0.00 N ATOM 376 CA CYS A 32 9.621 8.486 0.187 1.00 0.00 C ATOM 377 C CYS A 32 10.779 9.396 0.576 1.00 0.00 C ATOM 378 O CYS A 32 10.592 10.575 0.836 1.00 0.00 O ATOM 379 CB CYS A 32 8.908 7.988 1.441 1.00 0.00 C ATOM 380 SG CYS A 32 7.478 6.946 1.097 1.00 0.00 S ATOM 0 H CYS A 32 10.120 6.474 -0.117 1.00 0.00 H new ATOM 0 HA CYS A 32 8.918 9.060 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.616 7.428 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.587 8.847 2.031 1.00 0.00 H new ATOM 0 HG CYS A 32 6.389 7.599 1.374 1.00 0.00 H new ATOM 386 N ALA A 33 11.975 8.842 0.608 1.00 0.00 N ATOM 387 CA ALA A 33 13.162 9.613 0.931 1.00 0.00 C ATOM 388 C ALA A 33 13.648 10.374 -0.296 1.00 0.00 C ATOM 389 O ALA A 33 14.169 11.485 -0.192 1.00 0.00 O ATOM 390 CB ALA A 33 14.247 8.691 1.461 1.00 0.00 C ATOM 0 H ALA A 33 12.152 7.856 0.414 1.00 0.00 H new ATOM 0 HA ALA A 33 12.916 10.340 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.135 9.275 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.890 8.187 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.496 7.948 0.703 1.00 0.00 H new ATOM 396 N LYS A 34 13.457 9.761 -1.455 1.00 0.00 N ATOM 397 CA LYS A 34 13.871 10.336 -2.722 1.00 0.00 C ATOM 398 C LYS A 34 12.938 11.455 -3.155 1.00 0.00 C ATOM 399 O LYS A 34 13.383 12.507 -3.602 1.00 0.00 O ATOM 400 CB LYS A 34 13.906 9.232 -3.782 1.00 0.00 C ATOM 401 CG LYS A 34 14.385 9.685 -5.147 1.00 0.00 C ATOM 402 CD LYS A 34 14.243 8.563 -6.166 1.00 0.00 C ATOM 403 CE LYS A 34 14.765 8.967 -7.534 1.00 0.00 C ATOM 404 NZ LYS A 34 16.232 9.199 -7.524 1.00 0.00 N ATOM 0 H LYS A 34 13.009 8.849 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 34 14.865 10.768 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.555 8.430 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.906 8.811 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.809 10.552 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.427 9.999 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.785 7.685 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.194 8.278 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.526 8.188 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.257 9.874 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.579 9.272 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.440 10.082 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.706 8.406 -7.047 1.00 0.00 H new ATOM 418 N ASN A 35 11.643 11.231 -3.012 1.00 0.00 N ATOM 419 CA ASN A 35 10.658 12.228 -3.403 1.00 0.00 C ATOM 420 C ASN A 35 10.270 13.079 -2.214 1.00 0.00 C ATOM 421 O ASN A 35 9.422 13.964 -2.324 1.00 0.00 O ATOM 422 CB ASN A 35 9.407 11.564 -3.972 1.00 0.00 C ATOM 423 CG ASN A 35 9.656 10.882 -5.303 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.513 11.491 -6.362 1.00 0.00 O ATOM 425 ND2 ASN A 35 10.024 9.612 -5.261 1.00 0.00 N ATOM 0 H ASN A 35 11.249 10.371 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 35 11.108 12.857 -4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.034 10.830 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.627 12.315 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.200 9.103 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.132 9.142 -4.362 1.00 0.00 H new ATOM 432 N ASN A 36 10.903 12.794 -1.075 1.00 0.00 N ATOM 433 CA ASN A 36 10.565 13.446 0.193 1.00 0.00 C ATOM 434 C ASN A 36 9.083 13.267 0.527 1.00 0.00 C ATOM 435 O ASN A 36 8.500 14.054 1.274 1.00 0.00 O ATOM 436 CB ASN A 36 10.929 14.928 0.144 1.00 0.00 C ATOM 437 CG ASN A 36 12.425 15.159 0.095 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.209 14.378 0.636 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.836 16.229 -0.567 1.00 0.00 N ATOM 0 H ASN A 36 11.658 12.111 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 36 11.146 12.971 0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.466 15.383 -0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.516 15.429 1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.833 16.430 -0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.156 16.852 -1.002 1.00 0.00 H new ATOM 446 N LEU A 37 8.486 12.217 -0.034 1.00 0.00 N ATOM 447 CA LEU A 37 7.086 11.888 0.204 1.00 0.00 C ATOM 448 C LEU A 37 6.888 11.331 1.599 1.00 0.00 C ATOM 449 O LEU A 37 7.842 10.934 2.268 1.00 0.00 O ATOM 450 CB LEU A 37 6.611 10.857 -0.820 1.00 0.00 C ATOM 451 CG LEU A 37 5.694 11.387 -1.923 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.303 12.598 -2.611 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.406 10.288 -2.933 1.00 0.00 C ATOM 0 H LEU A 37 8.961 11.572 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 37 6.504 12.804 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.487 10.407 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.088 10.061 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 37 4.756 11.703 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.628 12.952 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.461 13.391 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.258 12.321 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.752 10.675 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.341 9.948 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.918 9.452 -2.432 1.00 0.00 H new ATOM 465 N GLN A 38 5.640 11.304 2.032 1.00 0.00 N ATOM 466 CA GLN A 38 5.300 10.702 3.305 1.00 0.00 C ATOM 467 C GLN A 38 5.105 9.212 3.117 1.00 0.00 C ATOM 468 O GLN A 38 4.457 8.805 2.150 1.00 0.00 O ATOM 469 CB GLN A 38 4.023 11.305 3.879 1.00 0.00 C ATOM 470 CG GLN A 38 4.114 12.789 4.156 1.00 0.00 C ATOM 471 CD GLN A 38 2.805 13.357 4.664 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.561 13.396 5.869 1.00 0.00 O ATOM 473 NE2 GLN A 38 1.945 13.785 3.750 1.00 0.00 N ATOM 0 H GLN A 38 4.847 11.692 1.520 1.00 0.00 H new ATOM 0 HA GLN A 38 6.115 10.894 4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.204 11.125 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.773 10.788 4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.897 12.972 4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.405 13.310 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.186 13.735 2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.043 14.164 4.037 1.00 0.00 H new ATOM 482 N LEU A 39 5.672 8.411 4.006 1.00 0.00 N ATOM 483 CA LEU A 39 5.508 6.958 3.946 1.00 0.00 C ATOM 484 C LEU A 39 4.046 6.583 3.717 1.00 0.00 C ATOM 485 O LEU A 39 3.719 5.853 2.779 1.00 0.00 O ATOM 486 CB LEU A 39 6.014 6.301 5.231 1.00 0.00 C ATOM 487 CG LEU A 39 7.113 5.246 5.045 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.739 4.255 3.951 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.446 5.905 4.736 1.00 0.00 C ATOM 0 H LEU A 39 6.251 8.738 4.780 1.00 0.00 H new ATOM 0 HA LEU A 39 6.099 6.593 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.391 7.081 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.169 5.835 5.737 1.00 0.00 H new ATOM 0 HG LEU A 39 7.211 4.696 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.535 3.518 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.811 3.749 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.603 4.787 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.210 5.138 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.360 6.488 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.726 6.563 5.559 1.00 0.00 H new ATOM 501 N THR A 40 3.174 7.117 4.559 1.00 0.00 N ATOM 502 CA THR A 40 1.750 6.849 4.468 1.00 0.00 C ATOM 503 C THR A 40 1.190 7.263 3.113 1.00 0.00 C ATOM 504 O THR A 40 0.502 6.485 2.455 1.00 0.00 O ATOM 505 CB THR A 40 0.996 7.600 5.575 1.00 0.00 C ATOM 506 OG1 THR A 40 1.698 7.456 6.817 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.424 7.082 5.724 1.00 0.00 C ATOM 0 H THR A 40 3.433 7.745 5.320 1.00 0.00 H new ATOM 0 HA THR A 40 1.611 5.775 4.588 1.00 0.00 H new ATOM 0 HB THR A 40 0.944 8.653 5.300 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.217 7.937 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.931 7.634 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.961 7.218 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.400 6.022 5.978 1.00 0.00 H new ATOM 515 N GLN A 41 1.516 8.484 2.707 1.00 0.00 N ATOM 516 CA GLN A 41 1.055 9.043 1.442 1.00 0.00 C ATOM 517 C GLN A 41 1.408 8.117 0.283 1.00 0.00 C ATOM 518 O GLN A 41 0.617 7.922 -0.638 1.00 0.00 O ATOM 519 CB GLN A 41 1.710 10.408 1.234 1.00 0.00 C ATOM 520 CG GLN A 41 1.055 11.262 0.166 1.00 0.00 C ATOM 521 CD GLN A 41 1.827 12.541 -0.074 1.00 0.00 C ATOM 522 OE1 GLN A 41 1.621 13.543 0.610 1.00 0.00 O ATOM 523 NE2 GLN A 41 2.715 12.522 -1.056 1.00 0.00 N ATOM 0 H GLN A 41 2.108 9.115 3.246 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.029 9.151 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.693 10.953 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.757 10.258 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.989 10.696 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.035 11.503 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.856 11.671 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.258 13.359 -1.269 1.00 0.00 H new ATOM 532 N ALA A 42 2.597 7.534 0.350 1.00 0.00 N ATOM 533 CA ALA A 42 3.065 6.623 -0.682 1.00 0.00 C ATOM 534 C ALA A 42 2.300 5.312 -0.638 1.00 0.00 C ATOM 535 O ALA A 42 1.926 4.781 -1.676 1.00 0.00 O ATOM 536 CB ALA A 42 4.544 6.373 -0.521 1.00 0.00 C ATOM 0 H ALA A 42 3.258 7.678 1.114 1.00 0.00 H new ATOM 0 HA ALA A 42 2.887 7.085 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.884 5.689 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.084 7.316 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.734 5.932 0.458 1.00 0.00 H new ATOM 542 N ILE A 43 2.073 4.789 0.566 1.00 0.00 N ATOM 543 CA ILE A 43 1.258 3.588 0.732 1.00 0.00 C ATOM 544 C ILE A 43 -0.134 3.807 0.153 1.00 0.00 C ATOM 545 O ILE A 43 -0.660 2.961 -0.564 1.00 0.00 O ATOM 546 CB ILE A 43 1.128 3.173 2.220 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.218 2.169 2.606 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.253 2.601 2.505 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.617 2.739 2.572 1.00 0.00 C ATOM 0 H ILE A 43 2.440 5.176 1.436 1.00 0.00 H new ATOM 0 HA ILE A 43 1.764 2.785 0.196 1.00 0.00 H new ATOM 0 HB ILE A 43 1.259 4.067 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.014 1.794 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.168 1.316 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.320 2.317 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.011 3.352 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.419 1.723 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.331 1.967 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.843 3.088 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.687 3.574 3.269 1.00 0.00 H new ATOM 561 N GLU A 44 -0.715 4.947 0.474 1.00 0.00 N ATOM 562 CA GLU A 44 -2.056 5.280 0.024 1.00 0.00 C ATOM 563 C GLU A 44 -2.110 5.385 -1.488 1.00 0.00 C ATOM 564 O GLU A 44 -3.024 4.859 -2.113 1.00 0.00 O ATOM 565 CB GLU A 44 -2.519 6.587 0.660 1.00 0.00 C ATOM 566 CG GLU A 44 -2.612 6.524 2.172 1.00 0.00 C ATOM 567 CD GLU A 44 -3.101 7.816 2.778 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.270 8.700 3.071 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.323 7.949 2.966 1.00 0.00 O ATOM 0 H GLU A 44 -0.276 5.665 1.050 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.727 4.479 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.829 7.383 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.495 6.853 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.285 5.716 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.632 6.283 2.583 1.00 0.00 H new ATOM 576 N GLU A 45 -1.128 6.052 -2.076 1.00 0.00 N ATOM 577 CA GLU A 45 -1.030 6.128 -3.525 1.00 0.00 C ATOM 578 C GLU A 45 -0.760 4.742 -4.097 1.00 0.00 C ATOM 579 O GLU A 45 -1.267 4.388 -5.162 1.00 0.00 O ATOM 580 CB GLU A 45 0.072 7.102 -3.941 1.00 0.00 C ATOM 581 CG GLU A 45 -0.215 8.545 -3.551 1.00 0.00 C ATOM 582 CD GLU A 45 -1.433 9.112 -4.247 1.00 0.00 C ATOM 583 OE1 GLU A 45 -1.304 9.554 -5.409 1.00 0.00 O ATOM 584 OE2 GLU A 45 -2.524 9.127 -3.642 1.00 0.00 O ATOM 0 H GLU A 45 -0.391 6.546 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.976 6.498 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.012 6.791 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.207 7.046 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.360 8.603 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.653 9.160 -3.790 1.00 0.00 H new ATOM 591 N ALA A 46 0.013 3.952 -3.360 1.00 0.00 N ATOM 592 CA ALA A 46 0.331 2.596 -3.768 1.00 0.00 C ATOM 593 C ALA A 46 -0.924 1.746 -3.820 1.00 0.00 C ATOM 594 O ALA A 46 -1.251 1.155 -4.846 1.00 0.00 O ATOM 595 CB ALA A 46 1.336 1.976 -2.808 1.00 0.00 C ATOM 0 H ALA A 46 0.431 4.233 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 46 0.770 2.634 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.565 0.959 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.250 2.570 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.914 1.955 -1.803 1.00 0.00 H new ATOM 601 N ILE A 47 -1.633 1.715 -2.705 1.00 0.00 N ATOM 602 CA ILE A 47 -2.801 0.893 -2.562 1.00 0.00 C ATOM 603 C ILE A 47 -3.955 1.426 -3.417 1.00 0.00 C ATOM 604 O ILE A 47 -4.833 0.675 -3.836 1.00 0.00 O ATOM 605 CB ILE A 47 -3.207 0.796 -1.075 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.195 -0.349 -0.861 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.768 2.118 -0.562 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.711 -0.428 0.556 1.00 0.00 C ATOM 0 H ILE A 47 -1.406 2.264 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.564 -0.110 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.310 0.581 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.037 -0.226 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.711 -1.291 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.043 2.014 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.013 2.897 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.649 2.389 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.408 -1.261 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.876 -0.581 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.222 0.501 0.809 1.00 0.00 H new ATOM 620 N LYS A 48 -3.921 2.724 -3.703 1.00 0.00 N ATOM 621 CA LYS A 48 -4.935 3.353 -4.537 1.00 0.00 C ATOM 622 C LYS A 48 -4.757 2.922 -5.983 1.00 0.00 C ATOM 623 O LYS A 48 -5.677 2.391 -6.606 1.00 0.00 O ATOM 624 CB LYS A 48 -4.826 4.874 -4.447 1.00 0.00 C ATOM 625 CG LYS A 48 -5.813 5.635 -5.328 1.00 0.00 C ATOM 626 CD LYS A 48 -7.199 5.785 -4.695 1.00 0.00 C ATOM 627 CE LYS A 48 -8.009 4.490 -4.701 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.449 4.742 -4.404 1.00 0.00 N ATOM 0 H LYS A 48 -3.199 3.361 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.918 3.042 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.977 5.175 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.813 5.169 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.410 6.625 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.911 5.118 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.086 6.130 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.754 6.555 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.917 4.007 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.600 3.801 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.969 3.841 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.538 5.181 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.845 5.380 -5.123 1.00 0.00 H new ATOM 642 N GLU A 49 -3.552 3.136 -6.500 1.00 0.00 N ATOM 643 CA GLU A 49 -3.238 2.788 -7.881 1.00 0.00 C ATOM 644 C GLU A 49 -3.210 1.277 -8.058 1.00 0.00 C ATOM 645 O GLU A 49 -3.195 0.772 -9.176 1.00 0.00 O ATOM 646 CB GLU A 49 -1.892 3.408 -8.309 1.00 0.00 C ATOM 647 CG GLU A 49 -1.974 4.869 -8.772 1.00 0.00 C ATOM 648 CD GLU A 49 -0.678 5.624 -8.572 1.00 0.00 C ATOM 649 OE1 GLU A 49 0.304 5.333 -9.289 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.643 6.527 -7.715 1.00 0.00 O ATOM 0 H GLU A 49 -2.776 3.549 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.020 3.196 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.197 3.345 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.473 2.809 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.245 4.896 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.771 5.374 -8.226 1.00 0.00 H new ATOM 657 N TYR A 50 -3.224 0.563 -6.948 1.00 0.00 N ATOM 658 CA TYR A 50 -3.285 -0.873 -6.967 1.00 0.00 C ATOM 659 C TYR A 50 -4.703 -1.323 -7.267 1.00 0.00 C ATOM 660 O TYR A 50 -4.921 -2.173 -8.124 1.00 0.00 O ATOM 661 CB TYR A 50 -2.811 -1.405 -5.628 1.00 0.00 C ATOM 662 CG TYR A 50 -2.992 -2.884 -5.426 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.246 -3.803 -6.143 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.879 -3.348 -4.473 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.383 -5.156 -5.916 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.028 -4.698 -4.238 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.275 -5.602 -4.961 1.00 0.00 C ATOM 668 OH TYR A 50 -3.417 -6.952 -4.737 1.00 0.00 O ATOM 0 H TYR A 50 -3.193 0.969 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.636 -1.267 -7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.754 -1.166 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.344 -0.878 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.547 -3.456 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.465 -2.642 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.796 -5.863 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.729 -5.046 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.369 -7.183 -4.723 1.00 0.00 H new ATOM 678 N LEU A 51 -5.666 -0.732 -6.566 1.00 0.00 N ATOM 679 CA LEU A 51 -7.071 -1.015 -6.823 1.00 0.00 C ATOM 680 C LEU A 51 -7.445 -0.666 -8.254 1.00 0.00 C ATOM 681 O LEU A 51 -8.191 -1.394 -8.895 1.00 0.00 O ATOM 682 CB LEU A 51 -7.988 -0.263 -5.854 1.00 0.00 C ATOM 683 CG LEU A 51 -8.403 -1.027 -4.589 1.00 0.00 C ATOM 684 CD1 LEU A 51 -8.194 -2.528 -4.749 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.666 -0.491 -3.370 1.00 0.00 C ATOM 0 H LEU A 51 -5.499 -0.058 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.211 -2.085 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.487 0.657 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.891 0.028 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.470 -0.865 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.498 -3.037 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.793 -2.892 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.141 -2.730 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.975 -1.047 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.592 -0.607 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.903 0.565 -3.237 1.00 0.00 H new ATOM 697 N GLN A 52 -6.910 0.435 -8.760 1.00 0.00 N ATOM 698 CA GLN A 52 -7.213 0.856 -10.125 1.00 0.00 C ATOM 699 C GLN A 52 -6.530 -0.044 -11.144 1.00 0.00 C ATOM 700 O GLN A 52 -7.107 -0.369 -12.180 1.00 0.00 O ATOM 701 CB GLN A 52 -6.810 2.314 -10.374 1.00 0.00 C ATOM 702 CG GLN A 52 -7.897 3.325 -10.036 1.00 0.00 C ATOM 703 CD GLN A 52 -8.094 3.526 -8.550 1.00 0.00 C ATOM 704 OE1 GLN A 52 -8.889 2.838 -7.909 1.00 0.00 O ATOM 705 NE2 GLN A 52 -7.373 4.485 -7.995 1.00 0.00 N ATOM 0 H GLN A 52 -6.271 1.049 -8.255 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.293 0.772 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.922 2.540 -9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.534 2.430 -11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.647 4.282 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.838 2.996 -10.478 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.726 5.031 -8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.464 4.679 -6.998 1.00 0.00 H new ATOM 844 N ALA B 14 8.456 -6.443 8.785 1.00 0.00 N ATOM 845 CA ALA B 14 8.482 -5.203 9.532 1.00 0.00 C ATOM 846 C ALA B 14 7.064 -4.801 9.895 1.00 0.00 C ATOM 847 O ALA B 14 6.105 -5.367 9.380 1.00 0.00 O ATOM 848 CB ALA B 14 9.144 -4.111 8.713 1.00 0.00 C ATOM 0 HA ALA B 14 9.059 -5.346 10.446 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.157 -3.184 9.286 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.166 -4.404 8.474 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.585 -3.959 7.790 1.00 0.00 H new ATOM 854 N VAL B 15 6.928 -3.830 10.774 1.00 0.00 N ATOM 855 CA VAL B 15 5.612 -3.364 11.169 1.00 0.00 C ATOM 856 C VAL B 15 5.362 -1.992 10.573 1.00 0.00 C ATOM 857 O VAL B 15 6.303 -1.288 10.198 1.00 0.00 O ATOM 858 CB VAL B 15 5.458 -3.270 12.697 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.993 -3.353 13.104 1.00 0.00 C ATOM 860 CG2 VAL B 15 6.282 -4.338 13.395 1.00 0.00 C ATOM 0 H VAL B 15 7.706 -3.350 11.227 1.00 0.00 H new ATOM 0 HA VAL B 15 4.888 -4.090 10.799 1.00 0.00 H new ATOM 0 HB VAL B 15 5.837 -2.298 13.013 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.912 -3.284 14.189 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.441 -2.532 12.646 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.575 -4.302 12.769 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.155 -4.249 14.474 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.949 -5.324 13.071 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.334 -4.209 13.142 1.00 0.00 H new ATOM 870 N PHE B 16 4.105 -1.610 10.497 1.00 0.00 N ATOM 871 CA PHE B 16 3.742 -0.331 9.930 1.00 0.00 C ATOM 872 C PHE B 16 2.486 0.190 10.604 1.00 0.00 C ATOM 873 O PHE B 16 1.471 -0.502 10.653 1.00 0.00 O ATOM 874 CB PHE B 16 3.526 -0.471 8.423 1.00 0.00 C ATOM 875 CG PHE B 16 3.820 0.778 7.644 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.956 1.527 7.914 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.975 1.195 6.629 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.239 2.668 7.190 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.258 2.334 5.900 1.00 0.00 C ATOM 880 CZ PHE B 16 4.390 3.070 6.181 1.00 0.00 C ATOM 0 H PHE B 16 3.316 -2.169 10.822 1.00 0.00 H new ATOM 0 HA PHE B 16 4.550 0.381 10.098 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.158 -1.277 8.049 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.493 -0.766 8.241 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.627 1.214 8.700 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.086 0.624 6.405 1.00 0.00 H new ATOM 0 HE1 PHE B 16 6.124 3.245 7.414 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.592 2.648 5.110 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.611 3.960 5.611 1.00 0.00 H new ATOM 890 N GLY B 17 2.577 1.391 11.154 1.00 0.00 N ATOM 891 CA GLY B 17 1.441 2.003 11.814 1.00 0.00 C ATOM 892 C GLY B 17 1.186 3.401 11.297 1.00 0.00 C ATOM 893 O GLY B 17 1.783 4.367 11.779 1.00 0.00 O ATOM 0 H GLY B 17 3.425 1.958 11.155 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.554 1.389 11.658 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.619 2.038 12.889 1.00 0.00 H new ATOM 897 N ILE B 18 0.306 3.511 10.314 1.00 0.00 N ATOM 898 CA ILE B 18 0.063 4.781 9.647 1.00 0.00 C ATOM 899 C ILE B 18 -1.401 5.176 9.702 1.00 0.00 C ATOM 900 O ILE B 18 -2.264 4.361 10.031 1.00 0.00 O ATOM 901 CB ILE B 18 0.504 4.726 8.176 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.225 3.599 7.431 1.00 0.00 C ATOM 903 CG2 ILE B 18 2.008 4.535 8.105 1.00 0.00 C ATOM 904 CD1 ILE B 18 -0.016 3.624 5.936 1.00 0.00 C ATOM 0 H ILE B 18 -0.253 2.735 9.960 1.00 0.00 H new ATOM 0 HA ILE B 18 0.651 5.528 10.180 1.00 0.00 H new ATOM 0 HB ILE B 18 0.243 5.666 7.691 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.115 2.639 7.820 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.292 3.668 7.641 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.321 4.496 7.062 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.504 5.369 8.602 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.280 3.603 8.601 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.561 2.798 5.479 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.382 4.568 5.533 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.047 3.523 5.715 1.00 0.00 H new ATOM 916 N TYR B 19 -1.666 6.437 9.385 1.00 0.00 N ATOM 917 CA TYR B 19 -3.027 6.933 9.293 1.00 0.00 C ATOM 918 C TYR B 19 -3.384 7.197 7.838 1.00 0.00 C ATOM 919 O TYR B 19 -3.120 8.274 7.306 1.00 0.00 O ATOM 920 CB TYR B 19 -3.208 8.213 10.112 1.00 0.00 C ATOM 921 CG TYR B 19 -2.974 8.036 11.593 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.849 7.291 12.373 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.884 8.630 12.217 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.642 7.144 13.729 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.670 8.481 13.573 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.554 7.738 14.324 1.00 0.00 C ATOM 927 OH TYR B 19 -2.351 7.589 15.678 1.00 0.00 O ATOM 0 H TYR B 19 -0.950 7.136 9.187 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.693 6.172 9.700 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.523 8.972 9.735 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.219 8.591 9.957 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.704 6.820 11.911 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.193 9.218 11.632 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.333 6.563 14.322 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.815 8.944 14.042 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.538 8.069 15.942 1.00 0.00 H new ATOM 937 N MET B 20 -3.977 6.202 7.209 1.00 0.00 N ATOM 938 CA MET B 20 -4.344 6.281 5.797 1.00 0.00 C ATOM 939 C MET B 20 -5.848 6.478 5.664 1.00 0.00 C ATOM 940 O MET B 20 -6.596 6.148 6.589 1.00 0.00 O ATOM 941 CB MET B 20 -3.897 5.006 5.059 1.00 0.00 C ATOM 942 CG MET B 20 -4.557 3.730 5.562 1.00 0.00 C ATOM 943 SD MET B 20 -3.778 2.236 4.907 1.00 0.00 S ATOM 944 CE MET B 20 -4.181 2.350 3.163 1.00 0.00 C ATOM 0 H MET B 20 -4.220 5.317 7.654 1.00 0.00 H new ATOM 0 HA MET B 20 -3.838 7.134 5.344 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.114 5.120 3.997 1.00 0.00 H new ATOM 0 HB3 MET B 20 -2.816 4.905 5.154 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.515 3.709 6.651 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.611 3.737 5.284 1.00 0.00 H new ATOM 0 HE1 MET B 20 -4.368 1.352 2.767 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.072 2.964 3.035 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.348 2.803 2.626 1.00 0.00 H new ATOM 954 N ASP B 21 -6.296 7.018 4.531 1.00 0.00 N ATOM 955 CA ASP B 21 -7.716 7.260 4.314 1.00 0.00 C ATOM 956 C ASP B 21 -8.524 5.986 4.481 1.00 0.00 C ATOM 957 O ASP B 21 -8.048 4.881 4.201 1.00 0.00 O ATOM 958 CB ASP B 21 -8.004 7.850 2.932 1.00 0.00 C ATOM 959 CG ASP B 21 -7.869 9.360 2.888 1.00 0.00 C ATOM 960 OD1 ASP B 21 -6.753 9.880 3.081 1.00 0.00 O ATOM 961 OD2 ASP B 21 -8.892 10.037 2.639 1.00 0.00 O ATOM 0 H ASP B 21 -5.696 7.294 3.754 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.014 7.987 5.070 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.321 7.409 2.206 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.014 7.573 2.629 1.00 0.00 H new ATOM 966 N LYS B 22 -9.760 6.145 4.911 1.00 0.00 N ATOM 967 CA LYS B 22 -10.595 5.013 5.227 1.00 0.00 C ATOM 968 C LYS B 22 -11.152 4.414 3.962 1.00 0.00 C ATOM 969 O LYS B 22 -10.889 3.266 3.661 1.00 0.00 O ATOM 970 CB LYS B 22 -11.736 5.422 6.156 1.00 0.00 C ATOM 971 CG LYS B 22 -12.730 4.301 6.414 1.00 0.00 C ATOM 972 CD LYS B 22 -13.734 4.647 7.510 1.00 0.00 C ATOM 973 CE LYS B 22 -13.118 4.584 8.907 1.00 0.00 C ATOM 974 NZ LYS B 22 -12.270 5.771 9.220 1.00 0.00 N ATOM 0 H LYS B 22 -10.206 7.052 5.049 1.00 0.00 H new ATOM 0 HA LYS B 22 -9.984 4.269 5.739 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.320 5.756 7.107 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.262 6.272 5.722 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.267 4.077 5.492 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.188 3.398 6.695 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -14.128 5.648 7.335 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.577 3.959 7.457 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -13.915 4.507 9.647 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -12.515 3.680 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -11.267 5.496 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -12.438 6.514 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -12.513 6.132 10.165 1.00 0.00 H new ATOM 988 N ASP B 23 -11.891 5.221 3.220 1.00 0.00 N ATOM 989 CA ASP B 23 -12.542 4.778 1.986 1.00 0.00 C ATOM 990 C ASP B 23 -11.576 4.025 1.072 1.00 0.00 C ATOM 991 O ASP B 23 -11.956 3.055 0.417 1.00 0.00 O ATOM 992 CB ASP B 23 -13.130 5.985 1.249 1.00 0.00 C ATOM 993 CG ASP B 23 -13.588 5.655 -0.160 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.724 5.160 -0.324 1.00 0.00 O ATOM 995 OD2 ASP B 23 -12.813 5.895 -1.112 1.00 0.00 O ATOM 0 H ASP B 23 -12.060 6.200 3.450 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.341 4.088 2.258 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.974 6.375 1.818 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.382 6.777 1.206 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.325 4.462 1.049 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.299 3.825 0.247 1.00 0.00 C ATOM 1002 C LEU B 24 -8.875 2.486 0.841 1.00 0.00 C ATOM 1003 O LEU B 24 -8.951 1.452 0.176 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.101 4.751 0.153 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.777 4.056 -0.093 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.294 4.295 -1.507 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -5.769 4.528 0.931 1.00 0.00 C ATOM 0 H LEU B 24 -9.997 5.265 1.585 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.705 3.631 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.275 5.466 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.028 5.323 1.078 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.907 2.979 0.017 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.342 3.786 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -7.029 3.907 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.163 5.365 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -4.815 4.031 0.758 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -5.638 5.606 0.842 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.127 4.288 1.932 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.411 2.516 2.088 1.00 0.00 N ATOM 1020 CA LYS B 25 -7.993 1.307 2.787 1.00 0.00 C ATOM 1021 C LYS B 25 -9.153 0.318 2.859 1.00 0.00 C ATOM 1022 O LYS B 25 -8.969 -0.896 2.811 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.558 1.664 4.203 1.00 0.00 C ATOM 1024 CG LYS B 25 -6.896 0.521 4.945 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.739 0.836 6.422 1.00 0.00 C ATOM 1026 CE LYS B 25 -7.970 0.429 7.226 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.199 1.169 6.826 1.00 0.00 N ATOM 0 H LYS B 25 -8.315 3.371 2.636 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.163 0.854 2.245 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.867 2.506 4.160 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.429 1.996 4.768 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.490 -0.385 4.826 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.918 0.320 4.508 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.863 0.318 6.812 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.560 1.904 6.548 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.140 -0.640 7.102 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.778 0.601 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.936 1.032 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.982 2.182 6.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.538 0.810 5.911 1.00 0.00 H new ATOM 1041 N THR B 26 -10.347 0.870 2.972 1.00 0.00 N ATOM 1042 CA THR B 26 -11.560 0.086 3.106 1.00 0.00 C ATOM 1043 C THR B 26 -11.981 -0.490 1.756 1.00 0.00 C ATOM 1044 O THR B 26 -12.541 -1.582 1.682 1.00 0.00 O ATOM 1045 CB THR B 26 -12.690 0.932 3.740 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.338 1.247 5.096 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.024 0.198 3.723 1.00 0.00 C ATOM 0 H THR B 26 -10.503 1.878 2.973 1.00 0.00 H new ATOM 0 HA THR B 26 -11.360 -0.751 3.774 1.00 0.00 H new ATOM 0 HB THR B 26 -12.802 1.842 3.151 1.00 0.00 H new ATOM 0 HG1 THR B 26 -11.711 2.000 5.105 1.00 0.00 H new ATOM 0 HG21 THR B 26 -14.791 0.826 4.177 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.302 -0.027 2.693 1.00 0.00 H new ATOM 0 HG23 THR B 26 -13.935 -0.731 4.286 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.671 0.236 0.693 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.863 -0.270 -0.658 1.00 0.00 C ATOM 1057 C ARG B 27 -11.056 -1.551 -0.834 1.00 0.00 C ATOM 1058 O ARG B 27 -11.581 -2.594 -1.229 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.415 0.787 -1.675 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.201 0.256 -3.079 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.485 -0.273 -3.705 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.512 0.766 -3.843 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.739 0.541 -4.318 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -15.077 -0.667 -4.759 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.627 1.527 -4.358 1.00 0.00 N ATOM 0 H ARG B 27 -11.285 1.179 0.740 1.00 0.00 H new ATOM 0 HA ARG B 27 -12.918 -0.487 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.162 1.580 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.487 1.239 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.795 1.050 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.458 -0.541 -3.053 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -12.262 -0.691 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.875 -1.086 -3.093 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.274 1.716 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.397 -1.427 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -16.016 -0.833 -5.121 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -15.372 2.457 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.564 1.355 -4.721 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.774 -1.445 -0.538 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.877 -2.577 -0.522 1.00 0.00 C ATOM 1081 C LEU B 28 -9.352 -3.655 0.463 1.00 0.00 C ATOM 1082 O LEU B 28 -9.197 -4.847 0.207 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.486 -2.066 -0.162 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.336 -3.035 -0.361 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.266 -4.007 0.791 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.503 -3.746 -1.684 1.00 0.00 C ATOM 0 H LEU B 28 -9.325 -0.560 -0.300 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.856 -3.049 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.286 -1.173 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.496 -1.758 0.884 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.393 -2.489 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.436 -4.697 0.635 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.113 -3.459 1.721 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.198 -4.569 0.850 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.678 -4.443 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.445 -4.294 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.507 -3.015 -2.492 1.00 0.00 H new ATOM 1098 N LYS B 29 -9.915 -3.235 1.588 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.477 -4.172 2.562 1.00 0.00 C ATOM 1100 C LYS B 29 -11.531 -5.049 1.898 1.00 0.00 C ATOM 1101 O LYS B 29 -11.576 -6.260 2.113 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.060 -3.400 3.754 1.00 0.00 C ATOM 1103 CG LYS B 29 -11.695 -4.261 4.839 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.128 -4.640 4.498 1.00 0.00 C ATOM 1105 CE LYS B 29 -13.755 -5.490 5.585 1.00 0.00 C ATOM 1106 NZ LYS B 29 -13.805 -4.772 6.882 1.00 0.00 N ATOM 0 H LYS B 29 -9.997 -2.253 1.852 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.687 -4.824 2.935 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.265 -2.805 4.204 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.810 -2.702 3.382 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.103 -5.166 4.977 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.678 -3.722 5.786 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.720 -3.736 4.356 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.146 -5.185 3.554 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.764 -5.775 5.288 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.185 -6.412 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.454 -5.266 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.854 -4.746 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.142 -3.800 6.728 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.361 -4.429 1.077 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.379 -5.145 0.328 1.00 0.00 C ATOM 1122 C VAL B 30 -12.738 -6.068 -0.693 1.00 0.00 C ATOM 1123 O VAL B 30 -13.230 -7.159 -0.970 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.325 -4.161 -0.369 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.388 -4.891 -1.175 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -14.951 -3.249 0.667 1.00 0.00 C ATOM 0 H VAL B 30 -12.349 -3.423 0.911 1.00 0.00 H new ATOM 0 HA VAL B 30 -13.958 -5.748 1.028 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.752 -3.558 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.042 -4.164 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -14.909 -5.508 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -15.976 -5.525 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.625 -2.548 0.175 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.511 -3.846 1.386 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.168 -2.696 1.186 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.615 -5.630 -1.219 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.836 -6.427 -2.140 1.00 0.00 C ATOM 1138 C TYR B 31 -10.310 -7.670 -1.425 1.00 0.00 C ATOM 1139 O TYR B 31 -10.269 -8.767 -1.994 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.685 -5.584 -2.687 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.807 -6.317 -3.661 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.188 -6.468 -4.982 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.600 -6.863 -3.255 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.392 -7.143 -5.876 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.794 -7.539 -4.142 1.00 0.00 C ATOM 1146 CZ TYR B 31 -7.193 -7.679 -5.453 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.393 -8.353 -6.345 1.00 0.00 O ATOM 0 H TYR B 31 -11.217 -4.712 -1.020 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.460 -6.750 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -10.095 -4.700 -3.175 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.075 -5.234 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -10.126 -6.049 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.287 -6.756 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.703 -7.253 -6.904 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.854 -7.957 -3.812 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.585 -8.666 -5.888 1.00 0.00 H new ATOM 1157 N CYS B 32 -9.935 -7.488 -0.165 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.448 -8.588 0.661 1.00 0.00 C ATOM 1159 C CYS B 32 -10.595 -9.485 1.108 1.00 0.00 C ATOM 1160 O CYS B 32 -10.398 -10.653 1.413 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.708 -8.050 1.881 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.289 -7.016 1.474 1.00 0.00 S ATOM 0 H CYS B 32 -9.959 -6.585 0.310 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.760 -9.180 0.058 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.403 -7.473 2.491 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.371 -8.889 2.489 1.00 0.00 H new ATOM 0 HG CYS B 32 -6.192 -7.650 1.766 1.00 0.00 H new ATOM 1168 N ALA B 33 -11.791 -8.931 1.146 1.00 0.00 N ATOM 1169 CA ALA B 33 -12.969 -9.694 1.519 1.00 0.00 C ATOM 1170 C ALA B 33 -13.478 -10.495 0.328 1.00 0.00 C ATOM 1171 O ALA B 33 -13.983 -11.606 0.476 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.046 -8.759 2.044 1.00 0.00 C ATOM 0 H ALA B 33 -11.974 -7.953 0.923 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.705 -10.395 2.310 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -14.927 -9.338 2.322 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.671 -8.227 2.918 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.314 -8.041 1.269 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.320 -9.918 -0.852 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.761 -10.533 -2.092 1.00 0.00 C ATOM 1180 C LYS B 34 -12.834 -11.664 -2.513 1.00 0.00 C ATOM 1181 O LYS B 34 -13.286 -12.734 -2.916 1.00 0.00 O ATOM 1182 CB LYS B 34 -13.824 -9.459 -3.183 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.334 -9.950 -4.524 1.00 0.00 C ATOM 1184 CD LYS B 34 -14.213 -8.861 -5.579 1.00 0.00 C ATOM 1185 CE LYS B 34 -14.764 -9.304 -6.923 1.00 0.00 C ATOM 1186 NZ LYS B 34 -16.229 -9.539 -6.873 1.00 0.00 N ATOM 0 H LYS B 34 -12.880 -9.006 -0.977 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.750 -10.965 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.467 -8.648 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -12.827 -9.040 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.767 -10.828 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.375 -10.259 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -14.747 -7.972 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.166 -8.581 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.544 -8.544 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -14.261 -10.218 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -16.595 -9.657 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.424 -10.399 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -16.696 -8.726 -6.423 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.539 -11.433 -2.406 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.561 -12.440 -2.791 1.00 0.00 C ATOM 1202 C ASN B 35 -10.148 -13.256 -1.587 1.00 0.00 C ATOM 1203 O ASN B 35 -9.309 -14.152 -1.688 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.322 -11.789 -3.404 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.602 -11.150 -4.745 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.498 -11.797 -5.784 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -9.961 -9.875 -4.739 1.00 0.00 N ATOM 0 H ASN B 35 -11.139 -10.562 -2.058 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.025 -13.090 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.937 -11.033 -2.719 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.541 -12.541 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.162 -9.398 -5.618 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.037 -9.371 -3.856 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.755 -12.935 -0.444 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.386 -13.547 0.833 1.00 0.00 C ATOM 1216 C ASN B 36 -8.892 -13.360 1.119 1.00 0.00 C ATOM 1217 O ASN B 36 -8.282 -14.139 1.848 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.751 -15.031 0.838 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.251 -15.260 0.825 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.020 -14.462 1.361 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.677 -16.351 0.211 1.00 0.00 N ATOM 0 H ASN B 36 -11.508 -12.251 -0.377 1.00 0.00 H new ATOM 0 HA ASN B 36 -10.946 -13.048 1.624 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.305 -15.514 -0.031 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.322 -15.505 1.721 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.675 -16.556 0.169 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.007 -16.988 -0.221 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.313 -12.317 0.527 1.00 0.00 N ATOM 1229 CA LEU B 37 -6.910 -11.982 0.724 1.00 0.00 C ATOM 1230 C LEU B 37 -6.681 -11.383 2.097 1.00 0.00 C ATOM 1231 O LEU B 37 -7.622 -10.974 2.780 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.458 -10.980 -0.341 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.562 -11.543 -1.445 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.188 -12.770 -2.088 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.292 -10.473 -2.491 1.00 0.00 C ATOM 0 H LEU B 37 -8.806 -11.683 -0.102 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.330 -12.901 0.640 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.344 -10.546 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -5.926 -10.167 0.154 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.617 -11.848 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.528 -13.148 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.335 -13.542 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.150 -12.501 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.653 -10.882 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.235 -10.145 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.794 -9.624 -2.023 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.425 -11.342 2.501 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.057 -10.702 3.745 1.00 0.00 C ATOM 1249 C GLN B 38 -4.871 -9.218 3.509 1.00 0.00 C ATOM 1250 O GLN B 38 -4.249 -8.839 2.516 1.00 0.00 O ATOM 1251 CB GLN B 38 -3.765 -11.285 4.307 1.00 0.00 C ATOM 1252 CG GLN B 38 -3.849 -12.759 4.629 1.00 0.00 C ATOM 1253 CD GLN B 38 -2.527 -13.310 5.123 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.252 -13.311 6.319 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -1.692 -13.770 4.206 1.00 0.00 N ATOM 0 H GLN B 38 -4.644 -11.745 1.984 1.00 0.00 H new ATOM 0 HA GLN B 38 -5.855 -10.875 4.467 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.962 -11.125 3.587 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.495 -10.740 5.212 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.615 -12.921 5.387 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.160 -13.307 3.740 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.956 -13.753 3.221 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -0.784 -14.142 4.484 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.415 -8.392 4.389 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.258 -6.940 4.275 1.00 0.00 C ATOM 1266 C LEU B 39 -3.802 -6.571 3.999 1.00 0.00 C ATOM 1267 O LEU B 39 -3.496 -5.875 3.029 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.734 -6.244 5.552 1.00 0.00 C ATOM 1269 CG LEU B 39 -6.839 -5.198 5.361 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.493 -4.241 4.233 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.178 -5.867 5.103 1.00 0.00 C ATOM 0 H LEU B 39 -5.969 -8.696 5.190 1.00 0.00 H new ATOM 0 HA LEU B 39 -5.870 -6.603 3.438 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.093 -7.003 6.247 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -4.878 -5.761 6.022 1.00 0.00 H new ATOM 0 HG LEU B 39 -6.917 -4.622 6.283 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.293 -3.509 4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.561 -3.726 4.466 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.377 -4.800 3.304 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -8.946 -5.105 4.971 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.113 -6.476 4.202 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.438 -6.500 5.951 1.00 0.00 H new ATOM 1283 N THR B 40 -2.910 -7.079 4.838 1.00 0.00 N ATOM 1284 CA THR B 40 -1.488 -6.812 4.708 1.00 0.00 C ATOM 1285 C THR B 40 -0.955 -7.266 3.354 1.00 0.00 C ATOM 1286 O THR B 40 -0.276 -6.511 2.660 1.00 0.00 O ATOM 1287 CB THR B 40 -0.707 -7.531 5.821 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.381 -7.360 7.075 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.714 -7.000 5.925 1.00 0.00 C ATOM 0 H THR B 40 -3.152 -7.684 5.623 1.00 0.00 H new ATOM 0 HA THR B 40 -1.350 -5.734 4.793 1.00 0.00 H new ATOM 0 HB THR B 40 -0.658 -8.591 5.573 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.881 -7.821 7.781 1.00 0.00 H new ATOM 0 HG21 THR B 40 1.242 -7.527 6.720 1.00 0.00 H new ATOM 0 HG22 THR B 40 1.232 -7.158 4.979 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.688 -5.934 6.151 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.292 -8.498 2.989 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.858 -9.096 1.733 1.00 0.00 C ATOM 1299 C GLN B 41 -1.237 -8.204 0.556 1.00 0.00 C ATOM 1300 O GLN B 41 -0.467 -8.034 -0.385 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.513 -10.471 1.582 1.00 0.00 C ATOM 1302 CG GLN B 41 -0.883 -11.354 0.521 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.653 -12.645 0.334 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -1.426 -13.627 1.042 1.00 0.00 O ATOM 1305 NE2 GLN B 41 -2.571 -12.654 -0.619 1.00 0.00 N ATOM 0 H GLN B 41 -1.876 -9.111 3.558 1.00 0.00 H new ATOM 0 HA GLN B 41 0.227 -9.204 1.743 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.468 -10.988 2.541 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.567 -10.333 1.343 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -0.844 -10.814 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.146 -11.581 0.801 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -2.728 -11.819 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -3.121 -13.496 -0.789 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.425 -7.620 0.633 1.00 0.00 N ATOM 1315 CA ALA B 42 -2.921 -6.740 -0.415 1.00 0.00 C ATOM 1316 C ALA B 42 -2.158 -5.428 -0.426 1.00 0.00 C ATOM 1317 O ALA B 42 -1.810 -4.926 -1.488 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.395 -6.487 -0.224 1.00 0.00 C ATOM 0 H ALA B 42 -3.067 -7.741 1.416 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.767 -7.230 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.756 -5.828 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.935 -7.433 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.561 -6.017 0.746 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.902 -4.871 0.756 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.088 -3.666 0.866 1.00 0.00 C ATOM 1326 C ILE B 43 0.291 -3.899 0.265 1.00 0.00 C ATOM 1327 O ILE B 43 0.805 -3.073 -0.483 1.00 0.00 O ATOM 1328 CB ILE B 43 -0.925 -3.203 2.340 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.006 -2.191 2.722 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.460 -2.623 2.575 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.403 -2.764 2.739 1.00 0.00 C ATOM 0 H ILE B 43 -2.245 -5.234 1.646 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.609 -2.882 0.316 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.042 -4.078 2.979 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.778 -1.786 3.708 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.974 -1.358 2.020 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.550 -2.306 3.614 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.213 -3.381 2.360 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.611 -1.765 1.919 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.112 -1.985 3.019 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.653 -3.143 1.748 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.454 -3.578 3.462 1.00 0.00 H new ATOM 1343 N GLU B 44 0.878 -5.030 0.606 1.00 0.00 N ATOM 1344 CA GLU B 44 2.210 -5.376 0.141 1.00 0.00 C ATOM 1345 C GLU B 44 2.234 -5.530 -1.369 1.00 0.00 C ATOM 1346 O GLU B 44 3.138 -5.034 -2.030 1.00 0.00 O ATOM 1347 CB GLU B 44 2.690 -6.663 0.809 1.00 0.00 C ATOM 1348 CG GLU B 44 2.818 -6.553 2.317 1.00 0.00 C ATOM 1349 CD GLU B 44 3.323 -7.825 2.952 1.00 0.00 C ATOM 1350 OE1 GLU B 44 4.554 -7.973 3.075 1.00 0.00 O ATOM 1351 OE2 GLU B 44 2.497 -8.684 3.332 1.00 0.00 O ATOM 0 H GLU B 44 0.449 -5.732 1.209 1.00 0.00 H new ATOM 0 HA GLU B 44 2.885 -4.565 0.414 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.995 -7.468 0.569 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.657 -6.941 0.390 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.496 -5.735 2.561 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.847 -6.300 2.743 1.00 0.00 H new ATOM 1358 N GLU B 45 1.239 -6.212 -1.914 1.00 0.00 N ATOM 1359 CA GLU B 45 1.110 -6.330 -3.359 1.00 0.00 C ATOM 1360 C GLU B 45 0.825 -4.964 -3.969 1.00 0.00 C ATOM 1361 O GLU B 45 1.305 -4.644 -5.058 1.00 0.00 O ATOM 1362 CB GLU B 45 0.002 -7.320 -3.720 1.00 0.00 C ATOM 1363 CG GLU B 45 0.301 -8.749 -3.295 1.00 0.00 C ATOM 1364 CD GLU B 45 1.521 -9.327 -3.982 1.00 0.00 C ATOM 1365 OE1 GLU B 45 1.389 -9.806 -5.129 1.00 0.00 O ATOM 1366 OE2 GLU B 45 2.613 -9.309 -3.383 1.00 0.00 O ATOM 0 H GLU B 45 0.512 -6.690 -1.382 1.00 0.00 H new ATOM 0 HA GLU B 45 2.049 -6.707 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -0.928 -6.998 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.158 -7.296 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.451 -8.778 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.564 -9.376 -3.514 1.00 0.00 H new ATOM 1373 N ALA B 46 0.066 -4.151 -3.241 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.260 -2.809 -3.681 1.00 0.00 C ATOM 1375 C ALA B 46 0.990 -1.958 -3.786 1.00 0.00 C ATOM 1376 O ALA B 46 1.289 -1.394 -4.835 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.244 -2.160 -2.716 1.00 0.00 C ATOM 0 H ALA B 46 -0.335 -4.405 -2.338 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.719 -2.879 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.480 -1.153 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.158 -2.752 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.799 -2.110 -1.722 1.00 0.00 H new ATOM 1383 N ILE B 47 1.724 -1.896 -2.690 1.00 0.00 N ATOM 1384 CA ILE B 47 2.896 -1.068 -2.596 1.00 0.00 C ATOM 1385 C ILE B 47 4.030 -1.626 -3.460 1.00 0.00 C ATOM 1386 O ILE B 47 4.897 -0.884 -3.921 1.00 0.00 O ATOM 1387 CB ILE B 47 3.332 -0.926 -1.120 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.322 0.226 -0.961 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.904 -2.231 -0.580 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.872 0.348 0.442 1.00 0.00 C ATOM 0 H ILE B 47 1.517 -2.423 -1.841 1.00 0.00 H new ATOM 0 HA ILE B 47 2.653 -0.076 -2.976 1.00 0.00 H new ATOM 0 HB ILE B 47 2.447 -0.694 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.149 0.085 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE B 47 3.830 1.160 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE B 47 4.200 -2.095 0.460 1.00 0.00 H new ATOM 0 HG22 ILE B 47 3.148 -3.013 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.774 -2.519 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.569 1.185 0.488 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.053 0.519 1.140 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.391 -0.572 0.710 1.00 0.00 H new ATOM 1402 N LYS B 48 3.997 -2.932 -3.704 1.00 0.00 N ATOM 1403 CA LYS B 48 4.993 -3.581 -4.542 1.00 0.00 C ATOM 1404 C LYS B 48 4.780 -3.196 -5.995 1.00 0.00 C ATOM 1405 O LYS B 48 5.686 -2.687 -6.657 1.00 0.00 O ATOM 1406 CB LYS B 48 4.891 -5.099 -4.407 1.00 0.00 C ATOM 1407 CG LYS B 48 5.857 -5.888 -5.288 1.00 0.00 C ATOM 1408 CD LYS B 48 7.259 -6.018 -4.687 1.00 0.00 C ATOM 1409 CE LYS B 48 8.061 -4.720 -4.747 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.506 -4.948 -4.461 1.00 0.00 N ATOM 0 H LYS B 48 3.287 -3.562 -3.330 1.00 0.00 H new ATOM 0 HA LYS B 48 5.981 -3.255 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.068 -5.369 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.872 -5.403 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.449 -6.884 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.930 -5.401 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.174 -6.337 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.804 -6.799 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.952 -4.271 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.656 -4.009 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 10.017 -4.043 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.612 -5.353 -3.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.899 -5.607 -5.163 1.00 0.00 H new ATOM 1424 N GLU B 49 3.562 -3.426 -6.478 1.00 0.00 N ATOM 1425 CA GLU B 49 3.214 -3.123 -7.862 1.00 0.00 C ATOM 1426 C GLU B 49 3.178 -1.617 -8.087 1.00 0.00 C ATOM 1427 O GLU B 49 3.131 -1.149 -9.222 1.00 0.00 O ATOM 1428 CB GLU B 49 1.859 -3.759 -8.237 1.00 0.00 C ATOM 1429 CG GLU B 49 1.930 -5.234 -8.658 1.00 0.00 C ATOM 1430 CD GLU B 49 0.638 -5.981 -8.412 1.00 0.00 C ATOM 1431 OE1 GLU B 49 -0.362 -5.698 -9.112 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.621 -6.874 -7.541 1.00 0.00 O ATOM 0 H GLU B 49 2.799 -3.822 -5.930 1.00 0.00 H new ATOM 0 HA GLU B 49 3.981 -3.550 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.185 -3.672 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.418 -3.185 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU B 49 2.181 -5.292 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.736 -5.724 -8.112 1.00 0.00 H new ATOM 1439 N TYR B 50 3.218 -0.869 -7.000 1.00 0.00 N ATOM 1440 CA TYR B 50 3.278 0.566 -7.064 1.00 0.00 C ATOM 1441 C TYR B 50 4.687 1.007 -7.407 1.00 0.00 C ATOM 1442 O TYR B 50 4.884 1.828 -8.298 1.00 0.00 O ATOM 1443 CB TYR B 50 2.833 1.138 -5.730 1.00 0.00 C ATOM 1444 CG TYR B 50 3.014 2.624 -5.577 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.251 3.521 -6.303 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.922 3.118 -4.659 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.391 4.881 -6.120 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.076 4.474 -4.468 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.305 5.355 -5.200 1.00 0.00 C ATOM 1450 OH TYR B 50 3.452 6.712 -5.018 1.00 0.00 O ATOM 0 H TYR B 50 3.209 -1.246 -6.052 1.00 0.00 H new ATOM 0 HA TYR B 50 2.612 0.936 -7.844 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.779 0.900 -5.584 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.386 0.637 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.536 3.151 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.521 2.429 -4.082 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.789 5.571 -6.693 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.794 4.845 -3.751 1.00 0.00 H new ATOM 0 HH TYR B 50 4.405 6.934 -4.969 1.00 0.00 H new ATOM 1460 N LEU B 51 5.665 0.443 -6.706 1.00 0.00 N ATOM 1461 CA LEU B 51 7.064 0.719 -7.004 1.00 0.00 C ATOM 1462 C LEU B 51 7.406 0.328 -8.434 1.00 0.00 C ATOM 1463 O LEU B 51 8.130 1.040 -9.115 1.00 0.00 O ATOM 1464 CB LEU B 51 8.003 -0.004 -6.036 1.00 0.00 C ATOM 1465 CG LEU B 51 8.447 0.795 -4.803 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.231 2.287 -5.003 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.737 0.295 -3.555 1.00 0.00 C ATOM 0 H LEU B 51 5.515 -0.204 -5.932 1.00 0.00 H new ATOM 0 HA LEU B 51 7.206 1.793 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.510 -0.915 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.893 -0.310 -6.586 1.00 0.00 H new ATOM 0 HG LEU B 51 9.517 0.638 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.555 2.824 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.810 2.626 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.173 2.481 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.066 0.875 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.660 0.408 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.975 -0.757 -3.398 1.00 0.00 H new ATOM 1479 N GLN B 52 6.866 -0.791 -8.894 1.00 0.00 N ATOM 1480 CA GLN B 52 7.138 -1.252 -10.254 1.00 0.00 C ATOM 1481 C GLN B 52 6.431 -0.381 -11.284 1.00 0.00 C ATOM 1482 O GLN B 52 6.987 -0.075 -12.340 1.00 0.00 O ATOM 1483 CB GLN B 52 6.728 -2.715 -10.448 1.00 0.00 C ATOM 1484 CG GLN B 52 7.820 -3.719 -10.100 1.00 0.00 C ATOM 1485 CD GLN B 52 8.047 -3.875 -8.613 1.00 0.00 C ATOM 1486 OE1 GLN B 52 8.850 -3.163 -8.008 1.00 0.00 O ATOM 1487 NE2 GLN B 52 7.349 -4.819 -8.013 1.00 0.00 N ATOM 0 H GLN B 52 6.243 -1.393 -8.355 1.00 0.00 H new ATOM 0 HA GLN B 52 8.215 -1.172 -10.404 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.852 -2.920 -9.833 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.431 -2.863 -11.486 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.558 -4.689 -10.523 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.752 -3.407 -10.571 1.00 0.00 H new ATOM 0 HE21 GLN B 52 6.694 -5.388 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.464 -4.981 -7.012 1.00 0.00 H new