USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 739 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 8 LYS NZ :NH3+ 162:sc= 1.41 (180deg=1.18) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.25 USER MOD Set 2.1: A 6 CYS SG : rot 72:sc= 1.32 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= 0.676 F(o=-3.3,f=2) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.16) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.0057) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.0647! K(o=0.065!,f=-0.46) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0239) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -5.14! C(o=-5.1!,f=-7.3!) USER MOD Single : A 62 SER OG : rot -119:sc= -0.204 USER MOD Single : A 72 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.13) USER MOD Single : A 84 TYR OH : rot 30:sc= -2.92! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.518 F(o=-1.1,f=-0.52) USER MOD Single : A 87 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.5!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.342 -1.295 3.651 1.00 0.43 N ATOM 49 CA LEU A 5 15.245 -0.642 4.333 1.00 0.45 C ATOM 50 C LEU A 5 14.059 -1.589 4.383 1.00 0.37 C ATOM 51 O LEU A 5 13.928 -2.456 3.527 1.00 0.42 O ATOM 52 CB LEU A 5 14.879 0.647 3.587 1.00 0.52 C ATOM 53 CG LEU A 5 14.293 0.437 2.187 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.782 0.528 2.229 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.859 1.441 1.198 1.00 1.27 C ATOM 0 HA LEU A 5 15.533 -0.384 5.352 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.159 1.205 4.186 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.772 1.267 3.502 1.00 0.52 H new ATOM 0 HG LEU A 5 14.575 -0.560 1.850 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.380 0.377 1.227 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.390 -0.239 2.897 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.487 1.512 2.593 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.424 1.267 0.214 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.618 2.452 1.527 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.941 1.326 1.142 1.00 1.27 H new ATOM 67 N CYS A 6 13.212 -1.446 5.381 1.00 0.34 N ATOM 68 CA CYS A 6 12.005 -2.252 5.460 1.00 0.31 C ATOM 69 C CYS A 6 10.773 -1.364 5.534 1.00 0.24 C ATOM 70 O CYS A 6 10.763 -0.361 6.249 1.00 0.27 O ATOM 71 CB CYS A 6 12.087 -3.202 6.652 1.00 0.40 C ATOM 72 SG CYS A 6 13.012 -2.541 8.057 1.00 1.35 S ATOM 0 H CYS A 6 13.333 -0.783 6.147 1.00 0.34 H new ATOM 0 HA CYS A 6 11.919 -2.854 4.556 1.00 0.31 H new ATOM 0 HB2 CYS A 6 11.076 -3.447 6.978 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.552 -4.134 6.330 1.00 0.40 H new ATOM 0 HG CYS A 6 12.318 -1.603 8.631 1.00 1.35 H new ATOM 78 N VAL A 7 9.750 -1.725 4.774 1.00 0.24 N ATOM 79 CA VAL A 7 8.537 -0.927 4.686 1.00 0.25 C ATOM 80 C VAL A 7 7.349 -1.722 5.223 1.00 0.25 C ATOM 81 O VAL A 7 7.361 -2.957 5.222 1.00 0.31 O ATOM 82 CB VAL A 7 8.263 -0.469 3.232 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.477 0.242 2.663 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.868 -1.637 2.342 1.00 0.61 C ATOM 0 H VAL A 7 9.737 -2.572 4.206 1.00 0.24 H new ATOM 0 HA VAL A 7 8.677 -0.033 5.294 1.00 0.25 H new ATOM 0 HB VAL A 7 7.425 0.227 3.257 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.268 0.557 1.641 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.706 1.116 3.273 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.330 -0.436 2.666 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.684 -1.277 1.330 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.674 -2.370 2.325 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.963 -2.102 2.732 1.00 0.61 H new ATOM 94 N LYS A 8 6.339 -1.019 5.706 1.00 0.26 N ATOM 95 CA LYS A 8 5.162 -1.657 6.271 1.00 0.28 C ATOM 96 C LYS A 8 3.923 -1.293 5.467 1.00 0.28 C ATOM 97 O LYS A 8 3.686 -0.125 5.180 1.00 0.38 O ATOM 98 CB LYS A 8 4.957 -1.223 7.726 1.00 0.35 C ATOM 99 CG LYS A 8 3.767 -1.896 8.397 1.00 0.61 C ATOM 100 CD LYS A 8 3.253 -1.091 9.581 1.00 0.86 C ATOM 101 CE LYS A 8 2.671 0.242 9.138 1.00 1.08 C ATOM 102 NZ LYS A 8 1.974 0.941 10.248 1.00 1.61 N ATOM 0 H LYS A 8 6.311 0.001 5.718 1.00 0.26 H new ATOM 0 HA LYS A 8 5.317 -2.735 6.235 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.860 -1.447 8.295 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.820 -0.142 7.759 1.00 0.35 H new ATOM 0 HG2 LYS A 8 2.965 -2.024 7.670 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.055 -2.892 8.733 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.491 -1.664 10.109 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.067 -0.918 10.285 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.470 0.877 8.755 1.00 1.08 H new ATOM 0 HE3 LYS A 8 1.972 0.078 8.317 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 1.862 1.947 10.009 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.037 0.513 10.394 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 2.534 0.853 11.120 1.00 1.61 H new ATOM 116 N VAL A 9 3.136 -2.293 5.125 1.00 0.25 N ATOM 117 CA VAL A 9 1.870 -2.083 4.447 1.00 0.26 C ATOM 118 C VAL A 9 0.738 -2.370 5.419 1.00 0.23 C ATOM 119 O VAL A 9 0.682 -3.449 6.001 1.00 0.27 O ATOM 120 CB VAL A 9 1.739 -3.000 3.213 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.346 -2.903 2.611 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.794 -2.652 2.174 1.00 0.77 C ATOM 0 H VAL A 9 3.354 -3.272 5.308 1.00 0.25 H new ATOM 0 HA VAL A 9 1.823 -1.049 4.105 1.00 0.26 H new ATOM 0 HB VAL A 9 1.899 -4.028 3.537 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.278 -3.558 1.743 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.393 -3.206 3.353 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.152 -1.875 2.305 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.686 -3.309 1.311 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.667 -1.616 1.859 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.786 -2.781 2.606 1.00 0.77 H new ATOM 132 N GLU A 10 -0.140 -1.405 5.631 1.00 0.21 N ATOM 133 CA GLU A 10 -1.205 -1.569 6.605 1.00 0.23 C ATOM 134 C GLU A 10 -2.485 -0.889 6.130 1.00 0.25 C ATOM 135 O GLU A 10 -2.445 0.036 5.316 1.00 0.26 O ATOM 136 CB GLU A 10 -0.758 -0.988 7.950 1.00 0.28 C ATOM 137 CG GLU A 10 -1.624 -1.387 9.134 1.00 0.37 C ATOM 138 CD GLU A 10 -1.125 -0.785 10.430 1.00 0.48 C ATOM 139 OE1 GLU A 10 0.066 -0.956 10.749 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.926 -0.138 11.142 1.00 1.08 O ATOM 0 H GLU A 10 -0.137 -0.507 5.147 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.416 -2.632 6.723 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.267 -1.304 8.144 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.747 0.099 7.875 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.650 -1.066 8.957 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.640 -2.473 9.221 1.00 0.37 H new ATOM 147 N PHE A 11 -3.613 -1.367 6.630 1.00 0.30 N ATOM 148 CA PHE A 11 -4.909 -0.775 6.323 1.00 0.34 C ATOM 149 C PHE A 11 -5.516 -0.170 7.582 1.00 0.34 C ATOM 150 O PHE A 11 -5.389 -0.735 8.662 1.00 0.74 O ATOM 151 CB PHE A 11 -5.835 -1.830 5.724 1.00 0.74 C ATOM 152 CG PHE A 11 -5.286 -2.423 4.463 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.410 -1.761 3.255 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.665 -3.658 4.485 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.925 -2.316 2.093 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.174 -4.219 3.324 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.233 -3.494 2.134 1.00 4.80 C ATOM 0 H PHE A 11 -3.659 -2.171 7.256 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.777 0.021 5.590 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.998 -2.623 6.454 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.807 -1.382 5.518 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.894 -0.796 3.223 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.563 -4.189 5.420 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -5.091 -1.820 1.148 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.748 -5.211 3.337 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.734 -3.862 1.249 1.00 4.80 H new ATOM 167 N GLY A 12 -6.152 0.988 7.448 1.00 0.23 N ATOM 168 CA GLY A 12 -6.617 1.700 8.626 1.00 0.39 C ATOM 169 C GLY A 12 -7.960 2.381 8.451 1.00 0.28 C ATOM 170 O GLY A 12 -8.665 2.625 9.430 1.00 0.34 O ATOM 0 H GLY A 12 -6.353 1.443 6.557 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.684 0.999 9.458 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -5.875 2.450 8.900 1.00 0.39 H new ATOM 174 N GLY A 13 -8.321 2.703 7.215 1.00 0.24 N ATOM 175 CA GLY A 13 -9.567 3.414 6.970 1.00 0.26 C ATOM 176 C GLY A 13 -10.765 2.488 6.919 1.00 0.29 C ATOM 177 O GLY A 13 -11.730 2.763 6.214 1.00 0.45 O ATOM 0 H GLY A 13 -7.778 2.487 6.379 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -9.718 4.155 7.755 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.492 3.957 6.028 1.00 0.26 H new ATOM 181 N GLY A 14 -10.710 1.394 7.665 1.00 0.28 N ATOM 182 CA GLY A 14 -11.730 0.374 7.542 1.00 0.35 C ATOM 183 C GLY A 14 -11.504 -0.447 6.295 1.00 0.36 C ATOM 184 O GLY A 14 -12.357 -1.232 5.880 1.00 0.41 O ATOM 0 H GLY A 14 -9.981 1.195 8.350 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.714 -0.273 8.419 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.715 0.838 7.506 1.00 0.35 H new ATOM 188 N ALA A 15 -10.323 -0.266 5.718 1.00 0.35 N ATOM 189 CA ALA A 15 -9.951 -0.914 4.476 1.00 0.39 C ATOM 190 C ALA A 15 -9.712 -2.397 4.707 1.00 0.39 C ATOM 191 O ALA A 15 -9.962 -3.219 3.833 1.00 0.42 O ATOM 192 CB ALA A 15 -8.710 -0.245 3.894 1.00 0.44 C ATOM 0 H ALA A 15 -9.596 0.337 6.103 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.766 -0.811 3.760 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.436 -0.737 2.961 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.920 0.807 3.702 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.886 -0.327 4.603 1.00 0.44 H new ATOM 198 N GLU A 16 -9.261 -2.728 5.910 1.00 0.38 N ATOM 199 CA GLU A 16 -8.994 -4.111 6.294 1.00 0.38 C ATOM 200 C GLU A 16 -10.243 -4.964 6.208 1.00 0.36 C ATOM 201 O GLU A 16 -10.162 -6.165 5.974 1.00 0.37 O ATOM 202 CB GLU A 16 -8.471 -4.161 7.715 1.00 0.45 C ATOM 203 CG GLU A 16 -9.355 -3.378 8.665 1.00 0.57 C ATOM 204 CD GLU A 16 -8.813 -1.994 8.982 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.864 -1.110 8.102 1.00 1.60 O ATOM 206 OE2 GLU A 16 -8.325 -1.794 10.118 1.00 1.54 O ATOM 0 H GLU A 16 -9.070 -2.049 6.646 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.251 -4.505 5.600 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.411 -5.198 8.045 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.458 -3.758 7.745 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -10.349 -3.281 8.229 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -9.467 -3.939 9.593 1.00 0.57 H new ATOM 213 N LEU A 17 -11.392 -4.342 6.420 1.00 0.35 N ATOM 214 CA LEU A 17 -12.669 -5.034 6.318 1.00 0.37 C ATOM 215 C LEU A 17 -12.846 -5.654 4.928 1.00 0.36 C ATOM 216 O LEU A 17 -13.600 -6.613 4.757 1.00 0.41 O ATOM 217 CB LEU A 17 -13.826 -4.077 6.620 1.00 0.39 C ATOM 218 CG LEU A 17 -13.800 -3.449 8.014 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.968 -2.489 8.184 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.835 -4.528 9.087 1.00 0.83 C ATOM 0 H LEU A 17 -11.467 -3.355 6.665 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.676 -5.836 7.056 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.820 -3.278 5.878 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.765 -4.617 6.499 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.872 -2.888 8.123 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.936 -2.050 9.181 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.901 -1.698 7.437 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.905 -3.030 8.056 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.816 -4.062 10.072 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.746 -5.117 8.982 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.968 -5.179 8.977 1.00 0.83 H new ATOM 232 N LEU A 18 -12.124 -5.115 3.946 1.00 0.35 N ATOM 233 CA LEU A 18 -12.158 -5.635 2.580 1.00 0.39 C ATOM 234 C LEU A 18 -11.343 -6.917 2.501 1.00 0.42 C ATOM 235 O LEU A 18 -11.500 -7.733 1.589 1.00 0.49 O ATOM 236 CB LEU A 18 -11.583 -4.599 1.613 1.00 0.38 C ATOM 237 CG LEU A 18 -12.366 -3.287 1.529 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.549 -2.224 0.813 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.688 -3.506 0.812 1.00 0.49 C ATOM 0 H LEU A 18 -11.505 -4.314 4.073 1.00 0.35 H new ATOM 0 HA LEU A 18 -13.191 -5.845 2.304 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.559 -4.375 1.911 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.535 -5.040 0.618 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.571 -2.942 2.543 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -12.121 -1.298 0.762 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.622 -2.048 1.359 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -11.317 -2.562 -0.197 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -14.234 -2.564 0.760 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -13.498 -3.872 -0.197 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -14.281 -4.239 1.358 1.00 0.49 H new ATOM 251 N PHE A 19 -10.467 -7.075 3.479 1.00 0.39 N ATOM 252 CA PHE A 19 -9.592 -8.225 3.571 1.00 0.47 C ATOM 253 C PHE A 19 -10.014 -9.085 4.753 1.00 0.60 C ATOM 254 O PHE A 19 -9.217 -9.844 5.302 1.00 0.97 O ATOM 255 CB PHE A 19 -8.153 -7.746 3.742 1.00 0.45 C ATOM 256 CG PHE A 19 -7.782 -6.676 2.759 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.234 -7.003 1.531 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.963 -5.346 3.070 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.874 -6.020 0.634 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.611 -4.360 2.179 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.132 -4.701 0.929 1.00 0.59 C ATOM 0 H PHE A 19 -10.344 -6.402 4.236 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.659 -8.823 2.662 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -8.018 -7.367 4.755 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.476 -8.592 3.626 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.087 -8.041 1.272 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.387 -5.075 4.026 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.392 -6.284 -0.296 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.709 -3.321 2.456 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.961 -3.936 0.186 1.00 0.59 H new ATOM 271 N ASP A 20 -11.282 -8.919 5.143 1.00 0.55 N ATOM 272 CA ASP A 20 -11.916 -9.689 6.224 1.00 0.69 C ATOM 273 C ASP A 20 -11.516 -9.168 7.608 1.00 0.72 C ATOM 274 O ASP A 20 -12.204 -9.424 8.592 1.00 1.07 O ATOM 275 CB ASP A 20 -11.606 -11.189 6.102 1.00 0.80 C ATOM 276 CG ASP A 20 -12.396 -12.037 7.079 1.00 1.16 C ATOM 277 OD1 ASP A 20 -13.574 -12.340 6.788 1.00 1.55 O ATOM 278 OD2 ASP A 20 -11.842 -12.415 8.134 1.00 1.28 O ATOM 0 H ASP A 20 -11.907 -8.238 4.713 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.992 -9.553 6.117 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.823 -11.518 5.086 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -10.541 -11.349 6.269 1.00 0.80 H new ATOM 283 N GLY A 21 -10.427 -8.413 7.683 1.00 0.57 N ATOM 284 CA GLY A 21 -9.992 -7.879 8.963 1.00 0.59 C ATOM 285 C GLY A 21 -8.483 -7.772 9.089 1.00 0.59 C ATOM 286 O GLY A 21 -7.979 -7.134 10.014 1.00 0.79 O ATOM 0 H GLY A 21 -9.840 -8.161 6.888 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -10.432 -6.892 9.105 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.372 -8.516 9.762 1.00 0.59 H new ATOM 290 N VAL A 22 -7.756 -8.387 8.167 1.00 0.51 N ATOM 291 CA VAL A 22 -6.300 -8.324 8.191 1.00 0.53 C ATOM 292 C VAL A 22 -5.830 -7.018 7.557 1.00 0.45 C ATOM 293 O VAL A 22 -6.329 -6.614 6.505 1.00 0.47 O ATOM 294 CB VAL A 22 -5.651 -9.541 7.485 1.00 0.68 C ATOM 295 CG1 VAL A 22 -6.105 -9.652 6.041 1.00 1.02 C ATOM 296 CG2 VAL A 22 -4.132 -9.468 7.568 1.00 1.41 C ATOM 0 H VAL A 22 -8.146 -8.932 7.398 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.981 -8.356 9.233 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.981 -10.439 8.006 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -5.631 -10.516 5.576 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -7.188 -9.771 6.008 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.823 -8.749 5.500 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -3.698 -10.333 7.066 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.785 -8.555 7.084 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.825 -9.464 8.614 1.00 1.41 H new ATOM 306 N LYS A 23 -4.895 -6.345 8.213 1.00 0.48 N ATOM 307 CA LYS A 23 -4.512 -5.005 7.810 1.00 0.52 C ATOM 308 C LYS A 23 -3.000 -4.829 7.679 1.00 0.40 C ATOM 309 O LYS A 23 -2.501 -4.413 6.636 1.00 0.37 O ATOM 310 CB LYS A 23 -5.071 -4.004 8.807 1.00 0.75 C ATOM 311 CG LYS A 23 -5.203 -4.556 10.209 1.00 0.85 C ATOM 312 CD LYS A 23 -5.960 -3.599 11.112 1.00 1.06 C ATOM 313 CE LYS A 23 -5.262 -2.254 11.221 1.00 1.11 C ATOM 314 NZ LYS A 23 -6.199 -1.184 11.643 1.00 2.07 N ATOM 0 H LYS A 23 -4.391 -6.706 9.023 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.930 -4.830 6.819 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.424 -3.127 8.830 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -6.050 -3.669 8.463 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -5.721 -5.515 10.177 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -4.212 -4.742 10.623 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.968 -3.455 10.724 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.060 -4.038 12.105 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.444 -2.325 11.938 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -4.821 -1.993 10.259 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -5.820 -0.258 11.357 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -7.124 -1.334 11.191 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -6.311 -1.208 12.677 1.00 2.07 H new ATOM 328 N LYS A 24 -2.287 -5.112 8.753 1.00 0.38 N ATOM 329 CA LYS A 24 -0.843 -4.914 8.798 1.00 0.33 C ATOM 330 C LYS A 24 -0.076 -6.064 8.143 1.00 0.34 C ATOM 331 O LYS A 24 -0.350 -7.240 8.390 1.00 0.47 O ATOM 332 CB LYS A 24 -0.397 -4.741 10.251 1.00 0.43 C ATOM 333 CG LYS A 24 1.073 -4.397 10.409 1.00 0.49 C ATOM 334 CD LYS A 24 1.423 -4.154 11.865 1.00 0.66 C ATOM 335 CE LYS A 24 2.868 -3.721 12.024 1.00 1.04 C ATOM 336 NZ LYS A 24 3.177 -3.318 13.420 1.00 1.59 N ATOM 0 H LYS A 24 -2.685 -5.483 9.615 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.614 -4.014 8.228 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.995 -3.955 10.713 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.605 -5.662 10.796 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.684 -5.209 10.015 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.307 -3.509 9.822 1.00 0.49 H new ATOM 0 HD2 LYS A 24 0.765 -3.388 12.276 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.249 -5.064 12.439 1.00 0.66 H new ATOM 0 HE2 LYS A 24 3.526 -4.538 11.728 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.073 -2.888 11.352 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 4.174 -3.029 13.485 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 2.567 -2.521 13.694 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.006 -4.121 14.059 1.00 1.59 H new ATOM 350 N HIS A 25 0.880 -5.694 7.299 1.00 0.29 N ATOM 351 CA HIS A 25 1.785 -6.633 6.652 1.00 0.34 C ATOM 352 C HIS A 25 3.135 -5.960 6.397 1.00 0.34 C ATOM 353 O HIS A 25 3.214 -4.972 5.671 1.00 0.43 O ATOM 354 CB HIS A 25 1.185 -7.116 5.326 1.00 0.42 C ATOM 355 CG HIS A 25 2.038 -8.116 4.592 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.766 -9.465 4.571 1.00 1.46 N ATOM 357 CD2 HIS A 25 3.161 -7.954 3.848 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.684 -10.089 3.855 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.544 -9.194 3.403 1.00 1.44 N ATOM 0 H HIS A 25 1.050 -4.721 7.042 1.00 0.29 H new ATOM 0 HA HIS A 25 1.931 -7.492 7.307 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.210 -7.561 5.522 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.018 -6.254 4.680 1.00 0.42 H new ATOM 0 HD2 HIS A 25 3.662 -7.019 3.643 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.725 -11.152 3.670 1.00 1.58 H new ATOM 0 HE2 HIS A 25 4.357 -9.392 2.820 1.00 1.44 H new ATOM 368 N GLN A 26 4.192 -6.495 6.984 1.00 0.36 N ATOM 369 CA GLN A 26 5.526 -5.945 6.785 1.00 0.38 C ATOM 370 C GLN A 26 6.250 -6.714 5.685 1.00 0.33 C ATOM 371 O GLN A 26 6.110 -7.931 5.574 1.00 0.47 O ATOM 372 CB GLN A 26 6.322 -5.988 8.094 1.00 0.54 C ATOM 373 CG GLN A 26 7.741 -5.459 7.962 1.00 0.67 C ATOM 374 CD GLN A 26 8.463 -5.389 9.291 1.00 1.12 C ATOM 375 OE1 GLN A 26 9.095 -6.355 9.719 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.387 -4.242 9.950 1.00 1.59 N ATOM 0 H GLN A 26 4.155 -7.307 7.601 1.00 0.36 H new ATOM 0 HA GLN A 26 5.436 -4.903 6.477 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.795 -5.405 8.849 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.359 -7.016 8.453 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.302 -6.100 7.282 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.714 -4.465 7.515 1.00 0.67 H new ATOM 0 HE21 GLN A 26 7.853 -3.465 9.561 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.863 -4.136 10.846 1.00 1.59 H new ATOM 385 N VAL A 27 7.001 -5.998 4.863 1.00 0.29 N ATOM 386 CA VAL A 27 7.737 -6.617 3.770 1.00 0.29 C ATOM 387 C VAL A 27 9.182 -6.118 3.754 1.00 0.28 C ATOM 388 O VAL A 27 9.451 -4.935 3.993 1.00 0.31 O ATOM 389 CB VAL A 27 7.045 -6.359 2.408 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.882 -4.872 2.146 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.801 -7.029 1.269 1.00 0.44 C ATOM 0 H VAL A 27 7.117 -4.987 4.931 1.00 0.29 H new ATOM 0 HA VAL A 27 7.745 -7.695 3.933 1.00 0.29 H new ATOM 0 HB VAL A 27 6.050 -6.802 2.457 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.393 -4.724 1.183 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.273 -4.428 2.934 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.862 -4.395 2.133 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.291 -6.830 0.327 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.816 -6.633 1.223 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.839 -8.105 1.441 1.00 0.44 H new ATOM 401 N ALA A 28 10.111 -7.028 3.496 1.00 0.31 N ATOM 402 CA ALA A 28 11.529 -6.714 3.572 1.00 0.33 C ATOM 403 C ALA A 28 12.122 -6.455 2.194 1.00 0.28 C ATOM 404 O ALA A 28 11.973 -7.263 1.275 1.00 0.29 O ATOM 405 CB ALA A 28 12.280 -7.837 4.270 1.00 0.41 C ATOM 0 H ALA A 28 9.906 -7.992 3.232 1.00 0.31 H new ATOM 0 HA ALA A 28 11.636 -5.798 4.154 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.340 -7.589 4.320 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.889 -7.964 5.279 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.150 -8.764 3.711 1.00 0.41 H new ATOM 411 N LEU A 29 12.800 -5.322 2.063 1.00 0.28 N ATOM 412 CA LEU A 29 13.434 -4.939 0.810 1.00 0.28 C ATOM 413 C LEU A 29 14.743 -5.700 0.628 1.00 0.32 C ATOM 414 O LEU A 29 15.520 -5.852 1.576 1.00 0.36 O ATOM 415 CB LEU A 29 13.678 -3.422 0.770 1.00 0.35 C ATOM 416 CG LEU A 29 12.454 -2.546 0.438 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.072 -2.711 -1.019 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.265 -2.877 1.332 1.00 1.04 C ATOM 0 H LEU A 29 12.925 -4.647 2.818 1.00 0.28 H new ATOM 0 HA LEU A 29 12.766 -5.197 -0.012 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.069 -3.112 1.739 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.455 -3.219 0.033 1.00 0.35 H new ATOM 0 HG LEU A 29 12.730 -1.508 0.623 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.206 -2.087 -1.241 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.908 -2.410 -1.651 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.827 -3.755 -1.215 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.422 -2.239 1.067 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.986 -3.922 1.195 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.535 -2.708 2.374 1.00 1.04 H new ATOM 430 N PRO A 30 14.984 -6.206 -0.592 1.00 0.38 N ATOM 431 CA PRO A 30 16.155 -7.037 -0.908 1.00 0.53 C ATOM 432 C PRO A 30 17.487 -6.306 -0.747 1.00 0.76 C ATOM 433 O PRO A 30 18.438 -6.859 -0.197 1.00 1.64 O ATOM 434 CB PRO A 30 15.942 -7.419 -2.380 1.00 0.52 C ATOM 435 CG PRO A 30 14.495 -7.188 -2.635 1.00 0.51 C ATOM 436 CD PRO A 30 14.113 -6.031 -1.762 1.00 0.41 C ATOM 0 HA PRO A 30 16.223 -7.885 -0.227 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.561 -6.810 -3.039 1.00 0.52 H new ATOM 0 HB3 PRO A 30 16.213 -8.459 -2.560 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.313 -6.963 -3.686 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.908 -8.073 -2.392 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.287 -5.076 -2.257 1.00 0.41 H new ATOM 0 HD3 PRO A 30 13.058 -6.061 -1.489 1.00 0.41 H new ATOM 483 N GLU A 34 15.185 -2.670 -4.579 1.00 0.54 N ATOM 484 CA GLU A 34 13.906 -2.169 -4.068 1.00 0.56 C ATOM 485 C GLU A 34 12.799 -2.255 -5.120 1.00 0.48 C ATOM 486 O GLU A 34 12.377 -1.246 -5.687 1.00 0.58 O ATOM 487 CB GLU A 34 14.021 -0.737 -3.529 1.00 0.72 C ATOM 488 CG GLU A 34 14.713 -0.635 -2.173 1.00 0.96 C ATOM 489 CD GLU A 34 16.126 -1.179 -2.179 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.294 -2.410 -2.014 1.00 2.31 O ATOM 491 OE2 GLU A 34 17.073 -0.379 -2.348 1.00 1.97 O ATOM 0 HA GLU A 34 13.634 -2.819 -3.236 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.569 -0.132 -4.251 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.022 -0.310 -3.448 1.00 0.72 H new ATOM 0 HG2 GLU A 34 14.735 0.409 -1.862 1.00 0.96 H new ATOM 0 HG3 GLU A 34 14.126 -1.177 -1.432 1.00 0.96 H new ATOM 498 N PRO A 35 12.323 -3.475 -5.400 1.00 0.41 N ATOM 499 CA PRO A 35 11.240 -3.708 -6.338 1.00 0.40 C ATOM 500 C PRO A 35 9.894 -3.737 -5.633 1.00 0.35 C ATOM 501 O PRO A 35 8.873 -4.086 -6.222 1.00 0.39 O ATOM 502 CB PRO A 35 11.584 -5.086 -6.893 1.00 0.48 C ATOM 503 CG PRO A 35 12.257 -5.797 -5.760 1.00 0.50 C ATOM 504 CD PRO A 35 12.814 -4.738 -4.834 1.00 0.46 C ATOM 0 HA PRO A 35 11.152 -2.932 -7.098 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.689 -5.617 -7.217 1.00 0.48 H new ATOM 0 HB3 PRO A 35 12.241 -5.011 -7.759 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.549 -6.436 -5.232 1.00 0.50 H new ATOM 0 HG3 PRO A 35 13.054 -6.442 -6.130 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.465 -4.879 -3.811 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.903 -4.766 -4.806 1.00 0.46 H new ATOM 512 N TRP A 36 9.913 -3.366 -4.361 1.00 0.30 N ATOM 513 CA TRP A 36 8.729 -3.415 -3.521 1.00 0.27 C ATOM 514 C TRP A 36 8.038 -2.067 -3.474 1.00 0.24 C ATOM 515 O TRP A 36 7.624 -1.618 -2.404 1.00 0.25 O ATOM 516 CB TRP A 36 9.103 -3.845 -2.100 1.00 0.28 C ATOM 517 CG TRP A 36 9.564 -5.272 -1.985 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.399 -5.777 -1.033 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.220 -6.373 -2.839 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.594 -7.120 -1.235 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.881 -7.510 -2.338 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.415 -6.509 -3.975 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.762 -8.764 -2.934 1.00 0.38 C ATOM 524 CZ3 TRP A 36 8.300 -7.751 -4.566 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.969 -8.865 -4.043 1.00 0.42 C ATOM 0 H TRP A 36 10.748 -3.024 -3.885 1.00 0.30 H new ATOM 0 HA TRP A 36 8.044 -4.144 -3.953 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.892 -3.190 -1.731 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.239 -3.701 -1.451 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.843 -5.202 -0.234 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.175 -7.729 -0.658 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.892 -5.656 -4.383 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.277 -9.625 -2.534 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.684 -7.866 -5.446 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.856 -9.824 -4.526 1.00 0.42 H new ATOM 536 N ASP A 37 7.899 -1.430 -4.628 1.00 0.24 N ATOM 537 CA ASP A 37 7.242 -0.144 -4.698 1.00 0.21 C ATOM 538 C ASP A 37 5.801 -0.261 -4.260 1.00 0.21 C ATOM 539 O ASP A 37 5.229 -1.355 -4.211 1.00 0.24 O ATOM 540 CB ASP A 37 7.287 0.432 -6.106 1.00 0.25 C ATOM 541 CG ASP A 37 7.099 -0.614 -7.168 1.00 0.82 C ATOM 542 OD1 ASP A 37 6.011 -1.202 -7.224 1.00 1.59 O ATOM 543 OD2 ASP A 37 8.047 -0.861 -7.942 1.00 1.21 O ATOM 0 H ASP A 37 8.233 -1.786 -5.523 1.00 0.24 H new ATOM 0 HA ASP A 37 7.779 0.528 -4.028 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.511 1.191 -6.208 1.00 0.25 H new ATOM 0 HB3 ASP A 37 8.244 0.931 -6.259 1.00 0.25 H new ATOM 548 N ILE A 38 5.216 0.879 -3.965 1.00 0.20 N ATOM 549 CA ILE A 38 3.848 0.932 -3.468 1.00 0.20 C ATOM 550 C ILE A 38 2.880 0.257 -4.446 1.00 0.20 C ATOM 551 O ILE A 38 1.897 -0.361 -4.038 1.00 0.23 O ATOM 552 CB ILE A 38 3.402 2.392 -3.214 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.497 3.161 -2.458 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.092 2.426 -2.435 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.948 2.513 -1.162 1.00 0.24 C ATOM 0 H ILE A 38 5.665 1.790 -4.060 1.00 0.20 H new ATOM 0 HA ILE A 38 3.825 0.391 -2.522 1.00 0.20 H new ATOM 0 HB ILE A 38 3.240 2.875 -4.177 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.361 3.272 -3.113 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.132 4.164 -2.239 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.796 3.461 -2.267 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.316 1.915 -3.005 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.226 1.926 -1.476 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.721 3.126 -0.699 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.099 2.426 -0.484 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.348 1.521 -1.371 1.00 0.24 H new ATOM 567 N ARG A 39 3.189 0.345 -5.735 1.00 0.19 N ATOM 568 CA ARG A 39 2.305 -0.183 -6.765 1.00 0.20 C ATOM 569 C ARG A 39 2.346 -1.720 -6.817 1.00 0.19 C ATOM 570 O ARG A 39 1.308 -2.366 -6.944 1.00 0.25 O ATOM 571 CB ARG A 39 2.632 0.436 -8.128 1.00 0.31 C ATOM 572 CG ARG A 39 3.897 -0.066 -8.776 1.00 0.99 C ATOM 573 CD ARG A 39 3.587 -1.170 -9.765 1.00 1.11 C ATOM 574 NE ARG A 39 2.717 -0.669 -10.833 1.00 1.63 N ATOM 575 CZ ARG A 39 3.034 -0.642 -12.124 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.161 -1.192 -12.556 1.00 2.03 N ATOM 577 NH2 ARG A 39 2.203 -0.070 -12.987 1.00 2.62 N ATOM 0 H ARG A 39 4.043 0.776 -6.090 1.00 0.19 H new ATOM 0 HA ARG A 39 1.284 0.097 -6.505 1.00 0.20 H new ATOM 0 HB2 ARG A 39 1.798 0.248 -8.804 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.708 1.517 -8.009 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.402 0.755 -9.285 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.581 -0.436 -8.012 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.513 -1.555 -10.192 1.00 1.11 H new ATOM 0 HD3 ARG A 39 3.103 -2.001 -9.252 1.00 1.11 H new ATOM 0 HE ARG A 39 1.799 -0.314 -10.566 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.795 -1.642 -11.895 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.394 -1.165 -13.549 1.00 2.03 H new ATOM 0 HH21 ARG A 39 1.331 0.343 -12.658 1.00 2.62 H new ATOM 0 HH22 ARG A 39 2.437 -0.044 -13.979 1.00 2.62 H new ATOM 591 N ASN A 40 3.545 -2.302 -6.720 1.00 0.17 N ATOM 592 CA ASN A 40 3.697 -3.762 -6.729 1.00 0.18 C ATOM 593 C ASN A 40 3.072 -4.374 -5.493 1.00 0.18 C ATOM 594 O ASN A 40 2.510 -5.467 -5.534 1.00 0.22 O ATOM 595 CB ASN A 40 5.170 -4.180 -6.800 1.00 0.22 C ATOM 596 CG ASN A 40 5.675 -4.325 -8.224 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.563 -5.395 -8.824 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.246 -3.265 -8.769 1.00 0.59 N ATOM 0 H ASN A 40 4.422 -1.788 -6.635 1.00 0.17 H new ATOM 0 HA ASN A 40 3.186 -4.127 -7.620 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.778 -3.441 -6.278 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.299 -5.127 -6.276 1.00 0.22 H new ATOM 0 HD21 ASN A 40 6.613 -3.315 -9.719 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.320 -2.396 -8.239 1.00 0.59 H new ATOM 605 N LEU A 41 3.175 -3.661 -4.394 1.00 0.18 N ATOM 606 CA LEU A 41 2.630 -4.128 -3.132 1.00 0.19 C ATOM 607 C LEU A 41 1.117 -4.045 -3.147 1.00 0.19 C ATOM 608 O LEU A 41 0.438 -4.860 -2.528 1.00 0.21 O ATOM 609 CB LEU A 41 3.233 -3.338 -1.972 1.00 0.21 C ATOM 610 CG LEU A 41 4.613 -3.829 -1.524 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.469 -5.090 -0.687 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.500 -4.117 -2.730 1.00 0.29 C ATOM 0 H LEU A 41 3.633 -2.751 -4.345 1.00 0.18 H new ATOM 0 HA LEU A 41 2.898 -5.175 -2.992 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.310 -2.290 -2.263 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.551 -3.384 -1.123 1.00 0.21 H new ATOM 0 HG LEU A 41 5.078 -3.045 -0.925 1.00 0.26 H new ATOM 0 HD11 LEU A 41 5.455 -5.433 -0.373 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.862 -4.876 0.192 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.987 -5.867 -1.280 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.475 -4.464 -2.390 1.00 0.29 H new ATOM 0 HD22 LEU A 41 5.036 -4.886 -3.348 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.624 -3.207 -3.316 1.00 0.29 H new ATOM 624 N LEU A 42 0.597 -3.067 -3.873 1.00 0.19 N ATOM 625 CA LEU A 42 -0.826 -3.000 -4.153 1.00 0.23 C ATOM 626 C LEU A 42 -1.268 -4.264 -4.883 1.00 0.21 C ATOM 627 O LEU A 42 -2.367 -4.772 -4.663 1.00 0.26 O ATOM 628 CB LEU A 42 -1.138 -1.748 -4.984 1.00 0.30 C ATOM 629 CG LEU A 42 -2.538 -1.679 -5.600 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.948 -0.237 -5.789 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.573 -2.393 -6.942 1.00 0.82 C ATOM 0 H LEU A 42 1.143 -2.307 -4.279 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.378 -2.933 -3.215 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.999 -0.872 -4.350 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.406 -1.679 -5.788 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.234 -2.172 -4.921 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.945 -0.197 -6.228 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.956 0.269 -4.823 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.239 0.259 -6.452 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.577 -2.331 -7.361 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.866 -1.921 -7.624 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.301 -3.440 -6.805 1.00 0.82 H new ATOM 643 N VAL A 43 -0.400 -4.765 -5.752 1.00 0.20 N ATOM 644 CA VAL A 43 -0.670 -5.992 -6.487 1.00 0.22 C ATOM 645 C VAL A 43 -0.733 -7.165 -5.528 1.00 0.22 C ATOM 646 O VAL A 43 -1.658 -7.972 -5.593 1.00 0.24 O ATOM 647 CB VAL A 43 0.403 -6.270 -7.559 1.00 0.27 C ATOM 648 CG1 VAL A 43 0.132 -7.589 -8.266 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.471 -5.125 -8.555 1.00 0.32 C ATOM 0 H VAL A 43 0.501 -4.337 -5.965 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.628 -5.866 -6.991 1.00 0.22 H new ATOM 0 HB VAL A 43 1.370 -6.348 -7.063 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.902 -7.764 -9.018 1.00 0.31 H new ATOM 0 HG12 VAL A 43 0.144 -8.401 -7.539 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -0.844 -7.549 -8.749 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.234 -5.339 -9.304 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.496 -5.011 -9.044 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.724 -4.203 -8.032 1.00 0.32 H new ATOM 659 N TRP A 44 0.243 -7.237 -4.630 1.00 0.23 N ATOM 660 CA TRP A 44 0.252 -8.258 -3.590 1.00 0.27 C ATOM 661 C TRP A 44 -1.064 -8.205 -2.819 1.00 0.28 C ATOM 662 O TRP A 44 -1.709 -9.230 -2.579 1.00 0.33 O ATOM 663 CB TRP A 44 1.433 -8.034 -2.629 1.00 0.31 C ATOM 664 CG TRP A 44 1.484 -9.029 -1.506 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.820 -8.955 -0.314 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.248 -10.238 -1.465 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.112 -10.052 0.458 1.00 0.56 N ATOM 668 CE2 TRP A 44 1.989 -10.853 -0.225 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.121 -10.865 -2.359 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.572 -12.061 0.142 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.699 -12.064 -1.992 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.422 -12.651 -0.750 1.00 0.85 C ATOM 0 H TRP A 44 1.039 -6.600 -4.602 1.00 0.23 H new ATOM 0 HA TRP A 44 0.365 -9.238 -4.053 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.365 -8.085 -3.192 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.367 -7.029 -2.212 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.161 -8.151 -0.022 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.737 -10.240 1.388 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.339 -10.420 -3.319 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.360 -12.516 1.098 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.376 -12.558 -2.673 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.890 -13.590 -0.493 1.00 0.85 H new ATOM 683 N ILE A 45 -1.456 -6.987 -2.467 1.00 0.26 N ATOM 684 CA ILE A 45 -2.700 -6.737 -1.760 1.00 0.29 C ATOM 685 C ILE A 45 -3.899 -7.219 -2.572 1.00 0.31 C ATOM 686 O ILE A 45 -4.727 -7.982 -2.084 1.00 0.37 O ATOM 687 CB ILE A 45 -2.860 -5.233 -1.458 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.817 -4.778 -0.434 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.264 -4.931 -0.968 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.814 -3.283 -0.191 1.00 0.47 C ATOM 0 H ILE A 45 -0.917 -6.144 -2.666 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.662 -7.292 -0.823 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.697 -4.677 -2.382 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -2.000 -5.290 0.510 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.828 -5.084 -0.776 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.356 -3.865 -0.761 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.986 -5.215 -1.734 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.461 -5.496 -0.057 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -1.050 -3.036 0.546 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.600 -2.763 -1.125 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.790 -2.973 0.181 1.00 0.47 H new ATOM 702 N LYS A 46 -3.983 -6.779 -3.816 1.00 0.29 N ATOM 703 CA LYS A 46 -5.113 -7.117 -4.668 1.00 0.35 C ATOM 704 C LYS A 46 -5.191 -8.625 -4.896 1.00 0.39 C ATOM 705 O LYS A 46 -6.205 -9.253 -4.593 1.00 0.44 O ATOM 706 CB LYS A 46 -5.002 -6.380 -6.009 1.00 0.39 C ATOM 707 CG LYS A 46 -6.222 -6.541 -6.908 1.00 0.91 C ATOM 708 CD LYS A 46 -6.002 -5.892 -8.269 1.00 0.91 C ATOM 709 CE LYS A 46 -5.886 -4.375 -8.173 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.184 -3.729 -7.833 1.00 1.93 N ATOM 0 H LYS A 46 -3.282 -6.186 -4.260 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.028 -6.802 -4.166 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.843 -5.319 -5.817 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.122 -6.743 -6.540 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.441 -7.601 -7.040 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.092 -6.094 -6.427 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.095 -6.296 -8.720 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -6.829 -6.150 -8.930 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -5.145 -4.117 -7.416 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -5.524 -3.980 -9.122 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -7.080 -2.695 -7.879 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.912 -4.034 -8.511 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -7.468 -4.006 -6.872 1.00 1.93 H new ATOM 724 N LYS A 47 -4.098 -9.197 -5.386 1.00 0.41 N ATOM 725 CA LYS A 47 -4.071 -10.602 -5.792 1.00 0.52 C ATOM 726 C LYS A 47 -4.318 -11.551 -4.619 1.00 0.57 C ATOM 727 O LYS A 47 -5.230 -12.379 -4.661 1.00 0.78 O ATOM 728 CB LYS A 47 -2.722 -10.955 -6.429 1.00 0.65 C ATOM 729 CG LYS A 47 -2.355 -10.124 -7.649 1.00 1.31 C ATOM 730 CD LYS A 47 -3.327 -10.329 -8.796 1.00 1.66 C ATOM 731 CE LYS A 47 -2.803 -9.693 -10.074 1.00 2.33 C ATOM 732 NZ LYS A 47 -3.711 -9.923 -11.229 1.00 2.96 N ATOM 0 H LYS A 47 -3.212 -8.708 -5.513 1.00 0.41 H new ATOM 0 HA LYS A 47 -4.876 -10.728 -6.516 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -1.940 -10.838 -5.679 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -2.735 -12.007 -6.714 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -2.336 -9.069 -7.375 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -1.349 -10.387 -7.976 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -3.487 -11.395 -8.955 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -4.294 -9.896 -8.540 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -2.678 -8.621 -9.920 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -1.817 -10.099 -10.302 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -3.314 -9.472 -12.078 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -3.810 -10.945 -11.394 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -4.644 -9.513 -11.024 1.00 2.96 H new ATOM 746 N ASN A 48 -3.509 -11.432 -3.576 1.00 0.50 N ATOM 747 CA ASN A 48 -3.485 -12.444 -2.523 1.00 0.58 C ATOM 748 C ASN A 48 -4.280 -12.037 -1.292 1.00 0.58 C ATOM 749 O ASN A 48 -4.578 -12.880 -0.444 1.00 0.77 O ATOM 750 CB ASN A 48 -2.044 -12.757 -2.098 1.00 0.61 C ATOM 751 CG ASN A 48 -1.270 -13.564 -3.125 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.484 -13.445 -4.331 1.00 2.21 O ATOM 753 ND2 ASN A 48 -0.366 -14.405 -2.647 1.00 2.09 N ATOM 0 H ASN A 48 -2.865 -10.654 -3.434 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.953 -13.330 -2.951 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.517 -11.821 -1.912 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.063 -13.305 -1.156 1.00 0.61 H new ATOM 0 HD21 ASN A 48 0.181 -14.982 -3.285 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -0.217 -14.476 -1.640 1.00 2.09 H new ATOM 760 N LEU A 49 -4.627 -10.766 -1.171 1.00 0.42 N ATOM 761 CA LEU A 49 -5.216 -10.294 0.071 1.00 0.44 C ATOM 762 C LEU A 49 -6.671 -9.847 -0.099 1.00 0.39 C ATOM 763 O LEU A 49 -7.469 -10.010 0.824 1.00 0.39 O ATOM 764 CB LEU A 49 -4.360 -9.163 0.652 1.00 0.50 C ATOM 765 CG LEU A 49 -4.613 -8.834 2.123 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.351 -10.054 2.993 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.739 -7.668 2.563 1.00 1.10 C ATOM 0 H LEU A 49 -4.515 -10.058 -1.897 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.232 -11.132 0.768 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.310 -9.428 0.533 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.530 -8.262 0.062 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.658 -8.546 2.239 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.536 -9.803 4.037 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -5.014 -10.865 2.692 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.315 -10.370 2.874 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.931 -7.446 3.613 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.689 -7.931 2.434 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -3.971 -6.791 1.958 1.00 1.10 H new ATOM 779 N LEU A 50 -7.026 -9.293 -1.261 1.00 0.39 N ATOM 780 CA LEU A 50 -8.388 -8.796 -1.470 1.00 0.39 C ATOM 781 C LEU A 50 -9.366 -9.969 -1.493 1.00 0.41 C ATOM 782 O LEU A 50 -9.337 -10.797 -2.404 1.00 0.50 O ATOM 783 CB LEU A 50 -8.491 -7.986 -2.773 1.00 0.47 C ATOM 784 CG LEU A 50 -9.530 -6.845 -2.776 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.925 -7.354 -2.463 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.144 -5.773 -1.780 1.00 0.62 C ATOM 0 H LEU A 50 -6.401 -9.178 -2.059 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.643 -8.131 -0.645 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.512 -7.560 -2.992 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.730 -8.671 -3.586 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.541 -6.420 -3.780 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.627 -6.521 -2.475 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.221 -8.088 -3.212 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.930 -7.819 -1.477 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.888 -4.977 -1.796 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.096 -6.205 -0.780 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.169 -5.364 -2.045 1.00 0.62 H new ATOM 798 N LYS A 51 -10.224 -10.033 -0.483 1.00 0.40 N ATOM 799 CA LYS A 51 -11.138 -11.153 -0.326 1.00 0.47 C ATOM 800 C LYS A 51 -12.367 -11.015 -1.214 1.00 0.52 C ATOM 801 O LYS A 51 -12.776 -11.975 -1.867 1.00 0.63 O ATOM 802 CB LYS A 51 -11.564 -11.270 1.138 1.00 0.52 C ATOM 803 CG LYS A 51 -10.388 -11.386 2.089 1.00 0.57 C ATOM 804 CD LYS A 51 -9.532 -12.596 1.759 1.00 1.08 C ATOM 805 CE LYS A 51 -8.230 -12.588 2.541 1.00 1.81 C ATOM 806 NZ LYS A 51 -7.338 -13.698 2.125 1.00 2.26 N ATOM 0 H LYS A 51 -10.305 -9.319 0.241 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.611 -12.057 -0.633 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.159 -10.397 1.409 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.207 -12.143 1.255 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.781 -10.482 2.033 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.752 -11.463 3.114 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.087 -13.507 1.983 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.316 -12.609 0.691 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -7.721 -11.636 2.392 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -8.444 -12.672 3.606 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -6.458 -13.663 2.679 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -7.815 -14.607 2.290 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -7.114 -13.603 1.114 1.00 2.26 H new ATOM 820 N GLU A 52 -12.954 -9.828 -1.244 1.00 0.52 N ATOM 821 CA GLU A 52 -14.189 -9.624 -1.985 1.00 0.59 C ATOM 822 C GLU A 52 -13.944 -8.908 -3.314 1.00 0.58 C ATOM 823 O GLU A 52 -12.947 -9.159 -3.992 1.00 0.72 O ATOM 824 CB GLU A 52 -15.204 -8.848 -1.138 1.00 0.66 C ATOM 825 CG GLU A 52 -14.804 -7.420 -0.791 1.00 0.64 C ATOM 826 CD GLU A 52 -16.027 -6.557 -0.564 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.642 -6.127 -1.563 1.00 1.15 O ATOM 828 OE2 GLU A 52 -16.404 -6.343 0.605 1.00 1.16 O ATOM 0 H GLU A 52 -12.599 -8.998 -0.768 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.598 -10.608 -2.213 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.154 -8.822 -1.672 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.374 -9.396 -0.211 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -14.182 -7.419 0.104 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.202 -7.000 -1.597 1.00 0.64 H new ATOM 835 N ARG A 53 -14.873 -8.034 -3.680 1.00 0.65 N ATOM 836 CA ARG A 53 -14.807 -7.295 -4.930 1.00 0.68 C ATOM 837 C ARG A 53 -13.754 -6.196 -4.844 1.00 0.59 C ATOM 838 O ARG A 53 -13.853 -5.305 -4.012 1.00 0.65 O ATOM 839 CB ARG A 53 -16.170 -6.665 -5.252 1.00 0.87 C ATOM 840 CG ARG A 53 -17.289 -7.665 -5.536 1.00 1.34 C ATOM 841 CD ARG A 53 -17.755 -8.407 -4.287 1.00 1.78 C ATOM 842 NE ARG A 53 -18.299 -7.505 -3.268 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.565 -7.536 -2.845 1.00 3.32 C ATOM 844 NH1 ARG A 53 -20.432 -8.394 -3.376 1.00 3.80 N ATOM 845 NH2 ARG A 53 -19.969 -6.701 -1.896 1.00 4.10 N ATOM 0 H ARG A 53 -15.695 -7.819 -3.115 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.536 -7.993 -5.722 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.470 -6.035 -4.415 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -16.057 -6.013 -6.118 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -18.136 -7.139 -5.977 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.944 -8.389 -6.274 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.515 -9.137 -4.565 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -16.918 -8.963 -3.865 1.00 1.78 H new ATOM 0 HE ARG A 53 -17.673 -6.812 -2.857 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -20.131 -9.034 -4.111 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -21.398 -8.412 -3.048 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -19.312 -6.035 -1.489 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -20.936 -6.725 -1.573 1.00 4.10 H new ATOM 859 N PRO A 54 -12.729 -6.242 -5.701 1.00 0.55 N ATOM 860 CA PRO A 54 -11.681 -5.221 -5.730 1.00 0.53 C ATOM 861 C PRO A 54 -12.142 -3.941 -6.420 1.00 0.57 C ATOM 862 O PRO A 54 -11.446 -2.927 -6.405 1.00 0.59 O ATOM 863 CB PRO A 54 -10.555 -5.867 -6.541 1.00 0.61 C ATOM 864 CG PRO A 54 -10.986 -7.277 -6.803 1.00 0.68 C ATOM 865 CD PRO A 54 -12.482 -7.292 -6.692 1.00 0.65 C ATOM 0 HA PRO A 54 -11.385 -4.927 -4.723 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.390 -5.330 -7.475 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.615 -5.843 -5.990 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.667 -7.603 -7.793 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.537 -7.960 -6.083 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.963 -7.074 -7.645 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.856 -8.261 -6.361 1.00 0.65 H new ATOM 873 N GLU A 55 -13.314 -4.010 -7.034 1.00 0.64 N ATOM 874 CA GLU A 55 -13.876 -2.880 -7.768 1.00 0.75 C ATOM 875 C GLU A 55 -14.109 -1.668 -6.876 1.00 0.69 C ATOM 876 O GLU A 55 -13.737 -0.550 -7.236 1.00 0.80 O ATOM 877 CB GLU A 55 -15.181 -3.276 -8.450 1.00 0.92 C ATOM 878 CG GLU A 55 -15.006 -4.260 -9.592 1.00 1.39 C ATOM 879 CD GLU A 55 -16.311 -4.570 -10.288 1.00 1.89 C ATOM 880 OE1 GLU A 55 -16.927 -3.642 -10.852 1.00 2.27 O ATOM 881 OE2 GLU A 55 -16.730 -5.744 -10.278 1.00 2.43 O ATOM 0 H GLU A 55 -13.901 -4.844 -7.039 1.00 0.64 H new ATOM 0 HA GLU A 55 -13.141 -2.600 -8.523 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.849 -3.712 -7.708 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.668 -2.378 -8.829 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.299 -3.852 -10.315 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -14.573 -5.184 -9.209 1.00 1.39 H new ATOM 888 N LEU A 56 -14.718 -1.884 -5.721 1.00 0.64 N ATOM 889 CA LEU A 56 -14.951 -0.794 -4.781 1.00 0.68 C ATOM 890 C LEU A 56 -13.678 -0.478 -4.000 1.00 0.59 C ATOM 891 O LEU A 56 -13.615 0.491 -3.242 1.00 0.69 O ATOM 892 CB LEU A 56 -16.122 -1.110 -3.837 1.00 0.81 C ATOM 893 CG LEU A 56 -16.218 -2.552 -3.327 1.00 1.09 C ATOM 894 CD1 LEU A 56 -14.974 -2.948 -2.555 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.456 -2.717 -2.464 1.00 2.05 C ATOM 0 H LEU A 56 -15.058 -2.795 -5.412 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.226 0.092 -5.353 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -16.054 -0.447 -2.975 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -17.051 -0.868 -4.353 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.296 -3.214 -4.190 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -15.074 -3.976 -2.207 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -14.102 -2.868 -3.204 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -14.851 -2.285 -1.698 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -17.516 -3.745 -2.106 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.399 -2.039 -1.612 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -18.344 -2.486 -3.053 1.00 2.05 H new ATOM 907 N PHE A 57 -12.663 -1.302 -4.199 1.00 0.47 N ATOM 908 CA PHE A 57 -11.357 -1.061 -3.626 1.00 0.41 C ATOM 909 C PHE A 57 -10.582 -0.128 -4.569 1.00 0.37 C ATOM 910 O PHE A 57 -11.162 0.453 -5.485 1.00 0.37 O ATOM 911 CB PHE A 57 -10.658 -2.416 -3.395 1.00 0.38 C ATOM 912 CG PHE A 57 -9.304 -2.353 -2.741 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.140 -1.760 -1.502 1.00 0.35 C ATOM 914 CD2 PHE A 57 -8.197 -2.904 -3.369 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.898 -1.715 -0.900 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.953 -2.864 -2.771 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.803 -2.268 -1.534 1.00 0.35 C ATOM 0 H PHE A 57 -12.724 -2.152 -4.760 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.419 -0.567 -2.656 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.308 -3.039 -2.781 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.553 -2.917 -4.357 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.993 -1.327 -1.000 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.309 -3.370 -4.337 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.783 -1.247 0.067 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -6.099 -3.298 -3.270 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.831 -2.235 -1.064 1.00 0.35 H new ATOM 927 N ILE A 58 -9.295 0.030 -4.348 1.00 0.36 N ATOM 928 CA ILE A 58 -8.496 1.011 -5.069 1.00 0.36 C ATOM 929 C ILE A 58 -8.060 0.538 -6.456 1.00 0.30 C ATOM 930 O ILE A 58 -8.051 -0.662 -6.752 1.00 0.30 O ATOM 931 CB ILE A 58 -7.246 1.356 -4.251 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.341 0.133 -4.147 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.651 1.842 -2.872 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.132 0.337 -3.268 1.00 0.90 C ATOM 0 H ILE A 58 -8.769 -0.515 -3.665 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.132 1.885 -5.209 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.695 2.153 -4.751 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.922 -0.704 -3.760 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -6.008 -0.146 -5.147 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.759 2.086 -2.295 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.275 2.731 -2.968 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.211 1.059 -2.360 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.540 -0.578 -3.246 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.527 1.152 -3.665 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.455 0.585 -2.257 1.00 0.90 H new ATOM 946 N GLN A 59 -7.701 1.508 -7.299 1.00 0.31 N ATOM 947 CA GLN A 59 -7.225 1.236 -8.649 1.00 0.30 C ATOM 948 C GLN A 59 -5.845 0.585 -8.601 1.00 0.27 C ATOM 949 O GLN A 59 -5.051 0.879 -7.706 1.00 0.29 O ATOM 950 CB GLN A 59 -7.237 2.522 -9.502 1.00 0.39 C ATOM 951 CG GLN A 59 -6.320 3.650 -9.033 1.00 0.56 C ATOM 952 CD GLN A 59 -4.867 3.460 -9.429 1.00 0.60 C ATOM 953 OE1 GLN A 59 -4.564 2.799 -10.418 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.964 4.080 -8.678 1.00 0.58 N ATOM 0 H GLN A 59 -7.733 2.500 -7.063 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.902 0.530 -9.131 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.962 2.259 -10.523 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -8.258 2.902 -9.535 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -6.679 4.593 -9.445 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -6.384 3.731 -7.948 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -4.261 4.619 -7.864 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -2.974 4.017 -8.915 1.00 0.58 H new ATOM 963 N GLY A 60 -5.578 -0.304 -9.553 1.00 0.32 N ATOM 964 CA GLY A 60 -4.402 -1.160 -9.496 1.00 0.38 C ATOM 965 C GLY A 60 -3.088 -0.471 -9.828 1.00 0.37 C ATOM 966 O GLY A 60 -2.378 -0.893 -10.738 1.00 0.55 O ATOM 0 H GLY A 60 -6.164 -0.449 -10.375 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.329 -1.585 -8.495 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.543 -1.992 -10.186 1.00 0.38 H new ATOM 970 N ASP A 61 -2.759 0.570 -9.076 1.00 0.40 N ATOM 971 CA ASP A 61 -1.455 1.227 -9.178 1.00 0.46 C ATOM 972 C ASP A 61 -1.076 1.872 -7.850 1.00 0.44 C ATOM 973 O ASP A 61 0.041 1.724 -7.380 1.00 0.54 O ATOM 974 CB ASP A 61 -1.431 2.287 -10.286 1.00 0.55 C ATOM 975 CG ASP A 61 -1.100 1.715 -11.652 1.00 0.81 C ATOM 976 OD1 ASP A 61 0.083 1.412 -11.908 1.00 1.06 O ATOM 977 OD2 ASP A 61 -2.029 1.540 -12.473 1.00 0.96 O ATOM 0 H ASP A 61 -3.381 0.984 -8.381 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.728 0.455 -9.431 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.403 2.779 -10.331 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.698 3.052 -10.032 1.00 0.55 H new ATOM 982 N SER A 62 -2.017 2.576 -7.241 1.00 0.40 N ATOM 983 CA SER A 62 -1.750 3.271 -5.989 1.00 0.46 C ATOM 984 C SER A 62 -2.975 3.194 -5.076 1.00 0.47 C ATOM 985 O SER A 62 -3.006 2.413 -4.131 1.00 0.70 O ATOM 986 CB SER A 62 -1.368 4.729 -6.283 1.00 0.53 C ATOM 987 OG SER A 62 -0.864 5.386 -5.139 1.00 0.80 O ATOM 0 H SER A 62 -2.969 2.682 -7.591 1.00 0.40 H new ATOM 0 HA SER A 62 -0.917 2.793 -5.474 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.619 4.755 -7.075 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.242 5.265 -6.653 1.00 0.53 H new ATOM 0 HG SER A 62 -1.438 6.150 -4.921 1.00 0.80 H new ATOM 993 N VAL A 63 -3.981 4.005 -5.382 1.00 0.38 N ATOM 994 CA VAL A 63 -5.273 3.981 -4.691 1.00 0.37 C ATOM 995 C VAL A 63 -6.330 4.641 -5.557 1.00 0.40 C ATOM 996 O VAL A 63 -6.004 5.383 -6.484 1.00 0.52 O ATOM 997 CB VAL A 63 -5.256 4.707 -3.326 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.937 3.748 -2.189 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.274 5.863 -3.342 1.00 0.78 C ATOM 0 H VAL A 63 -3.927 4.705 -6.122 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.497 2.930 -4.509 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.256 5.106 -3.154 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.933 4.292 -1.244 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.692 2.963 -2.153 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.957 3.301 -2.354 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.280 6.359 -2.371 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.273 5.487 -3.552 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.563 6.575 -4.115 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.589 4.340 -5.270 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.703 5.050 -5.878 1.00 0.40 C ATOM 1011 C ARG A 64 -8.854 6.379 -5.148 1.00 0.40 C ATOM 1012 O ARG A 64 -8.276 6.546 -4.080 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.005 4.232 -5.755 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.429 3.966 -4.314 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.808 3.319 -4.225 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.876 4.224 -4.666 1.00 1.05 N ATOM 1017 CZ ARG A 64 -14.175 3.911 -4.690 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.591 2.717 -4.301 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -15.059 4.808 -5.110 1.00 2.05 N ATOM 0 H ARG A 64 -7.864 3.606 -4.617 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.511 5.209 -6.939 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.807 4.763 -6.268 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.875 3.279 -6.268 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.695 3.318 -3.836 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.434 4.905 -3.760 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.824 2.417 -4.836 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.997 3.011 -3.197 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.608 5.158 -4.976 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.917 2.023 -3.978 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.585 2.491 -4.324 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.745 5.730 -5.412 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -16.052 4.575 -5.131 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.622 7.339 -5.685 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.923 8.580 -4.961 1.00 0.53 C ATOM 1035 C PRO A 65 -10.564 8.278 -3.607 1.00 0.44 C ATOM 1036 O PRO A 65 -10.530 9.090 -2.682 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.914 9.308 -5.868 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.730 8.716 -7.222 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.228 7.311 -7.024 1.00 0.61 C ATOM 0 HA PRO A 65 -9.029 9.167 -4.753 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.937 9.174 -5.518 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.719 10.380 -5.880 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.670 8.715 -7.774 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.019 9.301 -7.805 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.039 6.585 -7.081 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.500 7.035 -7.787 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.160 7.094 -3.533 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.735 6.588 -2.307 1.00 0.32 C ATOM 1049 C GLY A 66 -10.727 6.418 -1.183 1.00 0.25 C ATOM 1050 O GLY A 66 -10.848 7.058 -0.143 1.00 0.27 O ATOM 0 H GLY A 66 -11.255 6.461 -4.327 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.522 7.267 -1.978 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.207 5.626 -2.508 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.760 5.524 -1.357 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.792 5.262 -0.304 1.00 0.23 C ATOM 1056 C ILE A 67 -7.514 6.078 -0.494 1.00 0.24 C ATOM 1057 O ILE A 67 -7.028 6.230 -1.606 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.470 3.758 -0.248 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.773 2.983 -0.019 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.458 3.452 0.850 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.611 1.484 -0.016 1.00 0.34 C ATOM 0 H ILE A 67 -9.628 4.976 -2.207 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.235 5.569 0.643 1.00 0.23 H new ATOM 0 HB ILE A 67 -8.022 3.451 -1.193 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.203 3.292 0.934 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.487 3.258 -0.795 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.250 2.382 0.865 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.535 3.998 0.656 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.864 3.757 1.814 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.580 1.014 0.152 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -9.212 1.159 -0.977 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.924 1.194 0.779 1.00 0.34 H new ATOM 1073 N LEU A 68 -6.999 6.616 0.603 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.758 7.391 0.590 1.00 0.29 C ATOM 1075 C LEU A 68 -4.594 6.535 1.074 1.00 0.28 C ATOM 1076 O LEU A 68 -4.797 5.571 1.808 1.00 0.41 O ATOM 1077 CB LEU A 68 -5.882 8.611 1.506 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.163 9.432 1.363 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.163 10.571 2.367 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.311 9.970 -0.049 1.00 0.44 C ATOM 0 H LEU A 68 -7.425 6.530 1.526 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.575 7.717 -0.434 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -5.805 8.273 2.539 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.032 9.267 1.321 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.014 8.781 1.564 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.079 11.151 2.259 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.108 10.166 3.377 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.302 11.215 2.187 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.231 10.550 -0.123 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.460 10.608 -0.286 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.349 9.139 -0.753 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.382 6.882 0.663 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.190 6.185 1.128 1.00 0.27 C ATOM 1094 C VAL A 69 -1.253 7.134 1.858 1.00 0.19 C ATOM 1095 O VAL A 69 -0.914 8.203 1.354 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.409 5.530 -0.034 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.060 5.011 0.435 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.202 4.402 -0.646 1.00 0.81 C ATOM 0 H VAL A 69 -3.198 7.642 0.008 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.538 5.406 1.806 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.244 6.298 -0.790 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.466 4.556 -0.404 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.531 5.838 0.829 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.209 4.267 1.217 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.632 3.957 -1.461 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.402 3.645 0.112 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.146 4.788 -1.032 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.844 6.745 3.047 1.00 0.18 N ATOM 1109 CA LEU A 70 0.233 7.435 3.724 1.00 0.16 C ATOM 1110 C LEU A 70 1.546 6.792 3.330 1.00 0.15 C ATOM 1111 O LEU A 70 1.760 5.609 3.574 1.00 0.19 O ATOM 1112 CB LEU A 70 0.080 7.382 5.247 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.130 8.111 5.828 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.068 8.083 7.348 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.197 9.545 5.315 1.00 0.90 C ATOM 0 H LEU A 70 -1.239 5.958 3.563 1.00 0.18 H new ATOM 0 HA LEU A 70 0.207 8.483 3.426 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.028 6.336 5.550 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.981 7.800 5.697 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.036 7.600 5.504 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.933 8.604 7.757 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.071 7.049 7.693 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.155 8.575 7.684 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -2.067 10.044 5.742 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.293 10.079 5.607 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.280 9.539 4.228 1.00 0.90 H new ATOM 1127 N ILE A 71 2.400 7.550 2.674 1.00 0.14 N ATOM 1128 CA ILE A 71 3.749 7.093 2.421 1.00 0.17 C ATOM 1129 C ILE A 71 4.612 7.512 3.583 1.00 0.20 C ATOM 1130 O ILE A 71 4.869 8.705 3.760 1.00 0.24 O ATOM 1131 CB ILE A 71 4.354 7.665 1.125 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.531 7.244 -0.091 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.799 7.203 0.982 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.456 5.747 -0.296 1.00 0.20 C ATOM 0 H ILE A 71 2.186 8.478 2.309 1.00 0.14 H new ATOM 0 HA ILE A 71 3.712 6.010 2.304 1.00 0.17 H new ATOM 0 HB ILE A 71 4.335 8.753 1.181 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.520 7.637 0.014 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.960 7.701 -0.983 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.222 7.610 0.064 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.379 7.554 1.836 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.831 6.114 0.944 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.854 5.530 -1.179 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.461 5.348 -0.435 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.999 5.283 0.578 1.00 0.20 H new ATOM 1146 N ASN A 72 4.987 6.536 4.402 1.00 0.22 N ATOM 1147 CA ASN A 72 5.812 6.763 5.583 1.00 0.28 C ATOM 1148 C ASN A 72 4.943 7.325 6.696 1.00 0.27 C ATOM 1149 O ASN A 72 4.955 6.812 7.814 1.00 0.31 O ATOM 1150 CB ASN A 72 6.994 7.692 5.271 1.00 0.41 C ATOM 1151 CG ASN A 72 8.232 7.342 6.059 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.444 7.828 7.169 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.065 6.509 5.469 1.00 1.33 N ATOM 0 H ASN A 72 4.726 5.560 4.265 1.00 0.22 H new ATOM 0 HA ASN A 72 6.238 5.814 5.908 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.220 7.641 4.206 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.709 8.722 5.488 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.932 6.240 5.934 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.843 6.133 4.547 1.00 1.33 H new ATOM 1160 N ASP A 73 4.195 8.375 6.353 1.00 0.26 N ATOM 1161 CA ASP A 73 3.138 8.944 7.200 1.00 0.29 C ATOM 1162 C ASP A 73 2.561 10.207 6.539 1.00 0.28 C ATOM 1163 O ASP A 73 1.930 11.036 7.192 1.00 0.36 O ATOM 1164 CB ASP A 73 3.671 9.276 8.602 1.00 0.36 C ATOM 1165 CG ASP A 73 2.576 9.618 9.594 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.770 8.724 9.936 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.489 10.793 10.011 1.00 0.65 O ATOM 0 H ASP A 73 4.306 8.864 5.465 1.00 0.26 H new ATOM 0 HA ASP A 73 2.348 8.201 7.307 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.240 8.425 8.978 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.363 10.115 8.531 1.00 0.36 H new ATOM 1172 N ALA A 74 2.737 10.330 5.223 1.00 0.27 N ATOM 1173 CA ALA A 74 2.363 11.556 4.519 1.00 0.29 C ATOM 1174 C ALA A 74 1.604 11.255 3.230 1.00 0.25 C ATOM 1175 O ALA A 74 1.482 10.099 2.829 1.00 0.20 O ATOM 1176 CB ALA A 74 3.600 12.387 4.221 1.00 0.33 C ATOM 0 H ALA A 74 3.133 9.602 4.628 1.00 0.27 H new ATOM 0 HA ALA A 74 1.698 12.124 5.169 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.309 13.297 3.697 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.096 12.649 5.156 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.283 11.811 3.597 1.00 0.33 H new ATOM 1182 N ASP A 75 1.103 12.308 2.587 1.00 0.30 N ATOM 1183 CA ASP A 75 0.305 12.176 1.368 1.00 0.29 C ATOM 1184 C ASP A 75 1.105 11.551 0.232 1.00 0.23 C ATOM 1185 O ASP A 75 2.015 12.164 -0.323 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.252 13.530 0.921 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.396 14.007 1.791 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -2.556 13.656 1.503 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -1.139 14.738 2.771 1.00 0.62 O ATOM 0 H ASP A 75 1.237 13.272 2.893 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.526 11.512 1.608 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.547 14.271 0.940 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.593 13.455 -0.112 1.00 0.36 H new ATOM 1194 N TRP A 76 0.734 10.324 -0.104 1.00 0.21 N ATOM 1195 CA TRP A 76 1.385 9.540 -1.147 1.00 0.17 C ATOM 1196 C TRP A 76 1.548 10.309 -2.461 1.00 0.16 C ATOM 1197 O TRP A 76 2.646 10.363 -3.019 1.00 0.14 O ATOM 1198 CB TRP A 76 0.585 8.250 -1.391 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.744 8.443 -2.093 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.093 7.905 -3.295 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.877 9.234 -1.673 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.350 8.307 -3.653 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.857 9.113 -2.677 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.167 10.026 -0.556 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.091 9.749 -2.600 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.392 10.657 -0.481 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.341 10.513 -1.497 1.00 0.34 C ATOM 0 H TRP A 76 -0.040 9.836 0.347 1.00 0.21 H new ATOM 0 HA TRP A 76 2.390 9.306 -0.795 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.196 7.568 -1.983 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.405 7.765 -0.432 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.465 7.252 -3.883 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.832 8.046 -4.513 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.442 10.142 0.236 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.825 9.642 -3.385 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.621 11.272 0.377 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.292 11.017 -1.407 1.00 0.34 H new ATOM 1218 N GLU A 77 0.467 10.915 -2.934 1.00 0.19 N ATOM 1219 CA GLU A 77 0.424 11.496 -4.268 1.00 0.21 C ATOM 1220 C GLU A 77 1.450 12.613 -4.430 1.00 0.21 C ATOM 1221 O GLU A 77 2.019 12.799 -5.505 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.979 12.033 -4.561 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.500 12.974 -3.483 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.812 13.632 -3.851 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.874 13.024 -3.625 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.784 14.772 -4.360 1.00 0.82 O ATOM 0 H GLU A 77 -0.400 11.017 -2.407 1.00 0.19 H new ATOM 0 HA GLU A 77 0.671 10.709 -4.980 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.968 12.557 -5.517 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.667 11.194 -4.665 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.628 12.418 -2.554 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.755 13.746 -3.292 1.00 0.49 H new ATOM 1233 N LEU A 78 1.696 13.340 -3.352 1.00 0.24 N ATOM 1234 CA LEU A 78 2.607 14.473 -3.389 1.00 0.29 C ATOM 1235 C LEU A 78 4.045 14.010 -3.190 1.00 0.25 C ATOM 1236 O LEU A 78 4.989 14.777 -3.367 1.00 0.35 O ATOM 1237 CB LEU A 78 2.234 15.484 -2.302 1.00 0.47 C ATOM 1238 CG LEU A 78 0.804 16.022 -2.372 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.533 16.959 -1.207 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.560 16.733 -3.695 1.00 1.00 C ATOM 0 H LEU A 78 1.277 13.165 -2.439 1.00 0.24 H new ATOM 0 HA LEU A 78 2.524 14.949 -4.366 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.381 15.017 -1.328 1.00 0.47 H new ATOM 0 HB3 LEU A 78 2.924 16.326 -2.359 1.00 0.47 H new ATOM 0 HG LEU A 78 0.117 15.178 -2.306 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.489 17.333 -1.271 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.664 16.420 -0.269 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.229 17.797 -1.244 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.463 17.108 -3.723 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.255 17.567 -3.793 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.713 16.034 -4.517 1.00 1.00 H new ATOM 1252 N LEU A 79 4.205 12.749 -2.822 1.00 0.20 N ATOM 1253 CA LEU A 79 5.517 12.218 -2.491 1.00 0.20 C ATOM 1254 C LEU A 79 6.071 11.311 -3.596 1.00 0.20 C ATOM 1255 O LEU A 79 7.284 11.237 -3.792 1.00 0.22 O ATOM 1256 CB LEU A 79 5.436 11.448 -1.170 1.00 0.22 C ATOM 1257 CG LEU A 79 5.750 12.253 0.099 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.779 13.410 0.278 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.721 11.343 1.320 1.00 0.75 C ATOM 0 H LEU A 79 3.443 12.075 -2.745 1.00 0.20 H new ATOM 0 HA LEU A 79 6.203 13.060 -2.392 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.432 11.034 -1.075 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.125 10.605 -1.221 1.00 0.22 H new ATOM 0 HG LEU A 79 6.750 12.672 -0.009 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.030 13.959 1.186 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.847 14.078 -0.580 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.763 13.023 0.357 1.00 0.79 H new ATOM 0 HD21 LEU A 79 5.945 11.926 2.213 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.732 10.896 1.417 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.465 10.555 1.204 1.00 0.75 H new ATOM 1271 N GLY A 80 5.188 10.639 -4.327 1.00 0.20 N ATOM 1272 CA GLY A 80 5.635 9.734 -5.377 1.00 0.22 C ATOM 1273 C GLY A 80 4.766 8.500 -5.485 1.00 0.19 C ATOM 1274 O GLY A 80 4.727 7.852 -6.532 1.00 0.22 O ATOM 0 H GLY A 80 4.176 10.702 -4.215 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.633 10.261 -6.331 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.664 9.434 -5.180 1.00 0.22 H new ATOM 1278 N GLU A 81 4.084 8.186 -4.382 1.00 0.17 N ATOM 1279 CA GLU A 81 3.096 7.104 -4.300 1.00 0.20 C ATOM 1280 C GLU A 81 3.519 5.804 -5.011 1.00 0.16 C ATOM 1281 O GLU A 81 4.564 5.241 -4.697 1.00 0.17 O ATOM 1282 CB GLU A 81 1.721 7.594 -4.782 1.00 0.33 C ATOM 1283 CG GLU A 81 1.742 8.394 -6.070 1.00 0.48 C ATOM 1284 CD GLU A 81 0.354 8.656 -6.611 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.478 7.727 -6.586 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.090 9.787 -7.062 1.00 0.41 O ATOM 0 H GLU A 81 4.204 8.686 -3.501 1.00 0.17 H new ATOM 0 HA GLU A 81 3.028 6.835 -3.246 1.00 0.20 H new ATOM 0 HB2 GLU A 81 1.071 6.730 -4.919 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.275 8.207 -3.998 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.246 9.345 -5.895 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.325 7.857 -6.818 1.00 0.48 H new ATOM 1293 N LEU A 82 2.695 5.359 -5.963 1.00 0.16 N ATOM 1294 CA LEU A 82 2.796 4.034 -6.597 1.00 0.18 C ATOM 1295 C LEU A 82 4.234 3.581 -6.905 1.00 0.16 C ATOM 1296 O LEU A 82 4.649 2.504 -6.483 1.00 0.20 O ATOM 1297 CB LEU A 82 1.961 3.988 -7.888 1.00 0.24 C ATOM 1298 CG LEU A 82 2.409 4.899 -9.036 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.649 4.557 -10.307 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.196 6.358 -8.675 1.00 1.19 C ATOM 0 H LEU A 82 1.922 5.918 -6.325 1.00 0.16 H new ATOM 0 HA LEU A 82 2.404 3.335 -5.858 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.956 2.961 -8.252 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.931 4.242 -7.635 1.00 0.24 H new ATOM 0 HG LEU A 82 3.473 4.737 -9.208 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.977 5.212 -11.114 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.843 3.520 -10.579 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.581 4.694 -10.140 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.520 6.989 -9.503 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.138 6.533 -8.478 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.776 6.601 -7.785 1.00 1.19 H new ATOM 1312 N ASP A 83 5.002 4.400 -7.613 1.00 0.20 N ATOM 1313 CA ASP A 83 6.314 3.973 -8.104 1.00 0.24 C ATOM 1314 C ASP A 83 7.428 4.358 -7.141 1.00 0.26 C ATOM 1315 O ASP A 83 8.584 4.517 -7.542 1.00 0.56 O ATOM 1316 CB ASP A 83 6.585 4.558 -9.495 1.00 0.34 C ATOM 1317 CG ASP A 83 6.491 6.070 -9.540 1.00 1.21 C ATOM 1318 OD1 ASP A 83 7.512 6.747 -9.301 1.00 1.72 O ATOM 1319 OD2 ASP A 83 5.394 6.589 -9.835 1.00 2.00 O ATOM 0 H ASP A 83 4.746 5.356 -7.860 1.00 0.20 H new ATOM 0 HA ASP A 83 6.299 2.885 -8.175 1.00 0.24 H new ATOM 0 HB2 ASP A 83 7.579 4.253 -9.822 1.00 0.34 H new ATOM 0 HB3 ASP A 83 5.873 4.136 -10.204 1.00 0.34 H new ATOM 1324 N TYR A 84 7.082 4.478 -5.870 1.00 0.21 N ATOM 1325 CA TYR A 84 8.049 4.797 -4.835 1.00 0.19 C ATOM 1326 C TYR A 84 9.153 3.757 -4.757 1.00 0.21 C ATOM 1327 O TYR A 84 8.891 2.562 -4.711 1.00 0.33 O ATOM 1328 CB TYR A 84 7.369 4.888 -3.481 1.00 0.19 C ATOM 1329 CG TYR A 84 7.520 6.237 -2.851 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.768 6.709 -2.483 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.420 7.047 -2.644 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.917 7.953 -1.916 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.551 8.293 -2.078 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.810 8.743 -1.713 1.00 0.25 C ATOM 1335 OH TYR A 84 7.966 9.979 -1.136 1.00 0.30 O ATOM 0 H TYR A 84 6.128 4.358 -5.529 1.00 0.21 H new ATOM 0 HA TYR A 84 8.490 5.759 -5.098 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.309 4.661 -3.595 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.788 4.132 -2.817 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.639 6.091 -2.644 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.440 6.695 -2.932 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.897 8.307 -1.632 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.682 8.915 -1.919 1.00 0.21 H new ATOM 0 HH TYR A 84 8.850 10.337 -1.363 1.00 0.30 H new ATOM 1345 N GLN A 85 10.387 4.226 -4.697 1.00 0.27 N ATOM 1346 CA GLN A 85 11.537 3.339 -4.583 1.00 0.28 C ATOM 1347 C GLN A 85 11.797 2.953 -3.127 1.00 0.24 C ATOM 1348 O GLN A 85 12.866 2.446 -2.795 1.00 0.28 O ATOM 1349 CB GLN A 85 12.789 3.974 -5.217 1.00 0.40 C ATOM 1350 CG GLN A 85 13.014 5.454 -4.898 1.00 0.70 C ATOM 1351 CD GLN A 85 13.278 5.739 -3.433 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.234 6.083 -2.694 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 14.417 5.682 -2.977 1.00 0.74 N flip ATOM 0 H GLN A 85 10.621 5.218 -4.725 1.00 0.27 H new ATOM 0 HA GLN A 85 11.307 2.426 -5.133 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.664 3.413 -4.889 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.724 3.860 -6.299 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.858 5.817 -5.485 1.00 0.70 H new ATOM 0 HG3 GLN A 85 12.138 6.020 -5.215 1.00 0.70 H new ATOM 0 HE21 GLN A 85 15.195 5.413 -3.580 1.00 0.74 H new ATOM 0 HE22 GLN A 85 14.585 5.904 -1.996 1.00 0.74 H new ATOM 1362 N LEU A 86 10.772 3.153 -2.288 1.00 0.22 N ATOM 1363 CA LEU A 86 10.834 2.876 -0.843 1.00 0.24 C ATOM 1364 C LEU A 86 11.904 3.722 -0.136 1.00 0.30 C ATOM 1365 O LEU A 86 12.984 3.965 -0.667 1.00 0.34 O ATOM 1366 CB LEU A 86 11.056 1.373 -0.578 1.00 0.25 C ATOM 1367 CG LEU A 86 9.978 0.438 -1.131 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.590 1.024 -0.902 1.00 0.75 C ATOM 1369 CD2 LEU A 86 10.225 0.148 -2.603 1.00 0.86 C ATOM 0 H LEU A 86 9.868 3.514 -2.593 1.00 0.22 H new ATOM 0 HA LEU A 86 9.870 3.161 -0.421 1.00 0.24 H new ATOM 0 HB2 LEU A 86 12.016 1.085 -1.006 1.00 0.25 H new ATOM 0 HB3 LEU A 86 11.128 1.219 0.499 1.00 0.25 H new ATOM 0 HG LEU A 86 10.030 -0.509 -0.594 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.838 0.344 -1.302 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.424 1.160 0.167 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.514 1.987 -1.407 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.448 -0.518 -2.978 1.00 0.86 H new ATOM 0 HD22 LEU A 86 10.205 1.081 -3.166 1.00 0.86 H new ATOM 0 HD23 LEU A 86 11.199 -0.327 -2.722 1.00 0.86 H new ATOM 1381 N GLN A 87 11.596 4.187 1.063 1.00 0.39 N ATOM 1382 CA GLN A 87 12.508 5.058 1.793 1.00 0.51 C ATOM 1383 C GLN A 87 13.156 4.323 2.943 1.00 0.76 C ATOM 1384 O GLN A 87 14.295 3.874 2.828 1.00 1.74 O ATOM 1385 CB GLN A 87 11.780 6.314 2.282 1.00 0.46 C ATOM 1386 CG GLN A 87 11.159 7.130 1.162 1.00 0.86 C ATOM 1387 CD GLN A 87 9.642 7.183 1.237 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.067 8.085 1.847 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.984 6.214 0.614 1.00 0.48 N ATOM 0 H GLN A 87 10.725 3.978 1.552 1.00 0.39 H new ATOM 0 HA GLN A 87 13.299 5.369 1.111 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.999 6.021 2.984 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.483 6.941 2.831 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.555 8.145 1.197 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.455 6.705 0.203 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.498 5.485 0.120 1.00 0.48 H new ATOM 0 HE22 GLN A 87 7.964 6.198 0.629 1.00 0.48 H new ATOM 1398 N ASP A 88 12.439 4.205 4.038 1.00 0.43 N ATOM 1399 CA ASP A 88 12.883 3.403 5.159 1.00 0.40 C ATOM 1400 C ASP A 88 11.852 3.477 6.275 1.00 0.32 C ATOM 1401 O ASP A 88 11.328 4.557 6.560 1.00 0.36 O ATOM 1402 CB ASP A 88 14.264 3.837 5.692 1.00 0.56 C ATOM 1403 CG ASP A 88 14.246 5.165 6.430 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.360 6.219 5.773 1.00 2.44 O ATOM 1405 OD2 ASP A 88 14.143 5.155 7.677 1.00 1.53 O ATOM 0 H ASP A 88 11.536 4.659 4.178 1.00 0.43 H new ATOM 0 HA ASP A 88 12.986 2.377 4.805 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.644 3.065 6.361 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.961 3.906 4.856 1.00 0.56 H new ATOM 1410 N GLN A 89 11.530 2.325 6.869 1.00 0.31 N ATOM 1411 CA GLN A 89 10.560 2.258 7.970 1.00 0.34 C ATOM 1412 C GLN A 89 9.234 2.864 7.537 1.00 0.34 C ATOM 1413 O GLN A 89 8.471 3.392 8.346 1.00 0.42 O ATOM 1414 CB GLN A 89 11.096 2.965 9.220 1.00 0.40 C ATOM 1415 CG GLN A 89 12.222 2.209 9.905 1.00 0.62 C ATOM 1416 CD GLN A 89 11.785 0.837 10.387 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.919 -0.164 9.533 1.00 1.56 O flip ATOM 1418 NE2 GLN A 89 11.323 0.677 11.515 1.00 0.71 N flip ATOM 0 H GLN A 89 11.927 1.423 6.607 1.00 0.31 H new ATOM 0 HA GLN A 89 10.400 1.210 8.223 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.451 3.958 8.943 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.279 3.105 9.928 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.057 2.100 9.213 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.585 2.791 10.752 1.00 0.62 H new ATOM 0 HE21 GLN A 89 11.234 1.472 12.147 1.00 0.71 H new ATOM 0 HE22 GLN A 89 11.028 -0.251 11.819 1.00 0.71 H new ATOM 1427 N ASP A 90 8.979 2.754 6.246 1.00 0.30 N ATOM 1428 CA ASP A 90 7.811 3.339 5.624 1.00 0.34 C ATOM 1429 C ASP A 90 6.530 2.792 6.211 1.00 0.32 C ATOM 1430 O ASP A 90 6.275 1.593 6.149 1.00 0.45 O ATOM 1431 CB ASP A 90 7.834 3.053 4.128 1.00 0.45 C ATOM 1432 CG ASP A 90 8.566 4.114 3.343 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.045 5.242 3.236 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.663 3.822 2.831 1.00 1.06 O ATOM 0 H ASP A 90 9.584 2.251 5.596 1.00 0.30 H new ATOM 0 HA ASP A 90 7.839 4.413 5.808 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.308 2.087 3.954 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.810 2.977 3.761 1.00 0.45 H new ATOM 1439 N SER A 91 5.725 3.660 6.784 1.00 0.23 N ATOM 1440 CA SER A 91 4.402 3.268 7.185 1.00 0.21 C ATOM 1441 C SER A 91 3.457 3.567 6.041 1.00 0.17 C ATOM 1442 O SER A 91 3.010 4.699 5.867 1.00 0.17 O ATOM 1443 CB SER A 91 3.976 4.016 8.443 1.00 0.25 C ATOM 1444 OG SER A 91 2.727 3.557 8.936 1.00 1.14 O ATOM 0 H SER A 91 5.965 4.632 6.979 1.00 0.23 H new ATOM 0 HA SER A 91 4.383 2.203 7.417 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.737 3.893 9.213 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.911 5.082 8.226 1.00 0.25 H new ATOM 0 HG SER A 91 2.489 4.059 9.743 1.00 1.14 H new ATOM 1450 N ILE A 92 3.200 2.556 5.238 1.00 0.17 N ATOM 1451 CA ILE A 92 2.308 2.700 4.109 1.00 0.15 C ATOM 1452 C ILE A 92 0.918 2.304 4.551 1.00 0.14 C ATOM 1453 O ILE A 92 0.634 1.124 4.760 1.00 0.17 O ATOM 1454 CB ILE A 92 2.747 1.821 2.911 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.259 1.947 2.663 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.968 2.198 1.660 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.751 3.373 2.509 1.00 0.21 C ATOM 0 H ILE A 92 3.598 1.623 5.347 1.00 0.17 H new ATOM 0 HA ILE A 92 2.330 3.737 3.774 1.00 0.15 H new ATOM 0 HB ILE A 92 2.529 0.781 3.155 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.791 1.479 3.491 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.515 1.388 1.763 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.289 1.571 0.829 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.903 2.049 1.836 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.153 3.244 1.418 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.827 3.370 2.337 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.250 3.841 1.662 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.530 3.934 3.417 1.00 0.21 H new ATOM 1469 N LEU A 93 0.060 3.287 4.712 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.243 3.046 5.287 1.00 0.14 C ATOM 1471 C LEU A 93 -2.343 3.428 4.315 1.00 0.14 C ATOM 1472 O LEU A 93 -2.391 4.557 3.827 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.408 3.829 6.593 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.155 3.084 7.700 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.499 4.021 8.841 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.411 2.430 7.155 1.00 0.56 C ATOM 0 H LEU A 93 0.241 4.257 4.454 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.322 1.980 5.500 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.420 4.103 6.962 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.937 4.757 6.379 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.499 2.303 8.083 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.030 3.470 9.617 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.583 4.440 9.256 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.132 4.828 8.471 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.927 1.906 7.960 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.068 3.194 6.740 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.142 1.720 6.373 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.221 2.480 4.041 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.377 2.729 3.208 1.00 0.14 C ATOM 1490 C PHE A 94 -5.547 3.173 4.079 1.00 0.13 C ATOM 1491 O PHE A 94 -6.047 2.415 4.918 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.737 1.470 2.417 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.660 1.041 1.457 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.471 0.498 1.920 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.837 1.191 0.094 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.480 0.112 1.040 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.847 0.808 -0.792 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.669 0.268 -0.319 1.00 0.33 C ATOM 0 H PHE A 94 -3.151 1.523 4.388 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.147 3.523 2.497 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.938 0.656 3.114 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.658 1.649 1.862 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.318 0.376 2.982 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.758 1.612 -0.282 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.559 -0.311 1.413 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.996 0.932 -1.855 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.896 -0.032 -1.011 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.976 4.406 3.875 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.034 5.002 4.668 1.00 0.17 C ATOM 1510 C ILE A 95 -8.226 5.343 3.790 1.00 0.18 C ATOM 1511 O ILE A 95 -8.168 6.267 2.984 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.545 6.279 5.388 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.427 5.939 6.378 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.699 6.976 6.101 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.841 4.943 7.440 1.00 1.16 C ATOM 0 H ILE A 95 -5.600 5.022 3.154 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.332 4.272 5.420 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.148 6.963 4.638 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.575 5.538 5.828 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.091 6.856 6.863 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.330 7.872 6.600 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.462 7.254 5.373 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.131 6.301 6.840 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.000 4.750 8.105 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.673 5.349 8.015 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.149 4.012 6.965 1.00 1.16 H new ATOM 1527 N SER A 96 -9.291 4.575 3.930 1.00 0.20 N ATOM 1528 CA SER A 96 -10.505 4.825 3.179 1.00 0.24 C ATOM 1529 C SER A 96 -11.110 6.157 3.607 1.00 0.28 C ATOM 1530 O SER A 96 -11.315 6.394 4.799 1.00 0.35 O ATOM 1531 CB SER A 96 -11.494 3.676 3.389 1.00 0.31 C ATOM 1532 OG SER A 96 -12.619 3.799 2.543 1.00 0.37 O ATOM 0 H SER A 96 -9.339 3.772 4.558 1.00 0.20 H new ATOM 0 HA SER A 96 -10.272 4.881 2.116 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.995 2.726 3.197 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.820 3.661 4.429 1.00 0.31 H new ATOM 0 HG SER A 96 -13.230 3.049 2.700 1.00 0.37 H new ATOM 1538 N THR A 97 -11.363 7.034 2.643 1.00 0.27 N ATOM 1539 CA THR A 97 -11.869 8.356 2.953 1.00 0.36 C ATOM 1540 C THR A 97 -13.148 8.640 2.160 1.00 0.48 C ATOM 1541 O THR A 97 -13.845 9.627 2.407 1.00 0.58 O ATOM 1542 CB THR A 97 -10.808 9.448 2.667 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.076 10.622 3.450 1.00 0.43 O ATOM 1544 CG2 THR A 97 -10.774 9.825 1.190 1.00 0.35 C ATOM 0 H THR A 97 -11.226 6.851 1.649 1.00 0.27 H new ATOM 0 HA THR A 97 -12.100 8.382 4.018 1.00 0.36 H new ATOM 0 HB THR A 97 -9.836 9.036 2.940 1.00 0.34 H new ATOM 0 HG1 THR A 97 -10.397 11.303 3.261 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.018 10.593 1.028 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.530 8.945 0.595 1.00 0.35 H new ATOM 0 HG23 THR A 97 -11.750 10.207 0.889 1.00 0.35 H new