USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 805 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 Single : A 1 SER N :NH3+ -109:sc= 0.092 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 27:sc= -0.0817 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.712 F(o=-4.1!,f=-0.71) USER MOD Single : A 40 ASN : amide:sc= 0.606 K(o=0.61,f=-5.6!) USER MOD Single : A 46 LYS NZ :NH3+ 137:sc= -0.5 (180deg=-2.41!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.036) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0197) USER MOD Single : A 59 GLN : amide:sc= -8.4! C(o=-8.4!,f=-22!) USER MOD Single : A 62 SER OG : rot -140:sc= -2.09! USER MOD Single : A 72 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.67) USER MOD Single : A 84 TYR OH : rot 30:sc= -4.05! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.14 F(o=-4.7!,f=-1.1) USER MOD Single : A 87 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 89 GLN : amide:sc= 0.633 K(o=0.63,f=-0.19) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -42:sc= 0.645 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.477 -8.237 9.563 1.00 5.35 N ATOM 2 CA SER A 1 14.709 -8.541 8.136 1.00 4.89 C ATOM 3 C SER A 1 14.789 -7.253 7.320 1.00 4.07 C ATOM 4 O SER A 1 14.312 -6.208 7.761 1.00 4.19 O ATOM 5 CB SER A 1 13.593 -9.443 7.604 1.00 5.38 C ATOM 6 OG SER A 1 13.560 -10.677 8.305 1.00 5.96 O ATOM 0 H1 SER A 1 15.339 -8.445 10.107 1.00 5.35 H new ATOM 0 H2 SER A 1 14.235 -7.231 9.669 1.00 5.35 H new ATOM 0 H3 SER A 1 13.694 -8.821 9.919 1.00 5.35 H new ATOM 0 HA SER A 1 15.660 -9.065 8.040 1.00 4.89 H new ATOM 0 HB2 SER A 1 12.633 -8.937 7.705 1.00 5.38 H new ATOM 0 HB3 SER A 1 13.746 -9.628 6.541 1.00 5.38 H new ATOM 0 HG SER A 1 12.838 -11.236 7.949 1.00 5.96 H new ATOM 14 N ALA A 2 15.395 -7.356 6.134 1.00 3.54 N ATOM 15 CA ALA A 2 15.662 -6.211 5.262 1.00 2.75 C ATOM 16 C ALA A 2 16.707 -5.293 5.873 1.00 2.55 C ATOM 17 O ALA A 2 16.383 -4.329 6.567 1.00 2.81 O ATOM 18 CB ALA A 2 14.404 -5.424 4.918 1.00 2.31 C ATOM 0 H ALA A 2 15.716 -8.244 5.750 1.00 3.54 H new ATOM 0 HA ALA A 2 16.049 -6.620 4.329 1.00 2.75 H new ATOM 0 HB1 ALA A 2 14.664 -4.587 4.269 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.697 -6.075 4.404 1.00 2.31 H new ATOM 0 HB3 ALA A 2 13.950 -5.046 5.834 1.00 2.31 H new ATOM 24 N ALA A 3 17.965 -5.630 5.639 1.00 2.36 N ATOM 25 CA ALA A 3 19.075 -4.794 6.069 1.00 2.24 C ATOM 26 C ALA A 3 19.068 -3.435 5.348 1.00 1.58 C ATOM 27 O ALA A 3 19.231 -2.399 5.996 1.00 2.00 O ATOM 28 CB ALA A 3 20.397 -5.522 5.863 1.00 2.41 C ATOM 0 H ALA A 3 18.244 -6.481 5.151 1.00 2.36 H new ATOM 0 HA ALA A 3 18.956 -4.594 7.134 1.00 2.24 H new ATOM 0 HB1 ALA A 3 21.218 -4.884 6.189 1.00 2.41 H new ATOM 0 HB2 ALA A 3 20.400 -6.443 6.446 1.00 2.41 H new ATOM 0 HB3 ALA A 3 20.520 -5.760 4.807 1.00 2.41 H new ATOM 34 N PRO A 4 18.889 -3.408 4.001 1.00 0.85 N ATOM 35 CA PRO A 4 18.774 -2.154 3.244 1.00 0.76 C ATOM 36 C PRO A 4 17.707 -1.223 3.822 1.00 0.79 C ATOM 37 O PRO A 4 18.024 -0.218 4.459 1.00 1.23 O ATOM 38 CB PRO A 4 18.381 -2.606 1.828 1.00 1.00 C ATOM 39 CG PRO A 4 18.009 -4.044 1.957 1.00 1.18 C ATOM 40 CD PRO A 4 18.820 -4.568 3.100 1.00 1.10 C ATOM 0 HA PRO A 4 19.702 -1.583 3.274 1.00 0.76 H new ATOM 0 HB2 PRO A 4 17.547 -2.018 1.446 1.00 1.00 H new ATOM 0 HB3 PRO A 4 19.209 -2.476 1.131 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.942 -4.157 2.149 1.00 1.18 H new ATOM 0 HG3 PRO A 4 18.227 -4.589 1.039 1.00 1.18 H new ATOM 0 HD2 PRO A 4 18.343 -5.424 3.577 1.00 1.10 H new ATOM 0 HD3 PRO A 4 19.810 -4.892 2.780 1.00 1.10 H new ATOM 48 N LEU A 5 16.445 -1.568 3.593 1.00 0.43 N ATOM 49 CA LEU A 5 15.325 -0.815 4.133 1.00 0.45 C ATOM 50 C LEU A 5 14.127 -1.740 4.258 1.00 0.37 C ATOM 51 O LEU A 5 14.093 -2.786 3.623 1.00 0.42 O ATOM 52 CB LEU A 5 14.979 0.384 3.238 1.00 0.52 C ATOM 53 CG LEU A 5 14.339 0.056 1.883 1.00 0.60 C ATOM 54 CD1 LEU A 5 13.884 1.330 1.206 1.00 1.28 C ATOM 55 CD2 LEU A 5 15.306 -0.692 0.978 1.00 1.27 C ATOM 0 H LEU A 5 16.173 -2.374 3.030 1.00 0.43 H new ATOM 0 HA LEU A 5 15.599 -0.426 5.114 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.301 1.037 3.788 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.892 0.951 3.057 1.00 0.52 H new ATOM 0 HG LEU A 5 13.479 -0.589 2.065 1.00 0.60 H new ATOM 0 HD11 LEU A 5 13.431 1.089 0.244 1.00 1.28 H new ATOM 0 HD12 LEU A 5 13.152 1.835 1.836 1.00 1.28 H new ATOM 0 HD13 LEU A 5 14.741 1.985 1.049 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.820 -0.909 0.027 1.00 1.27 H new ATOM 0 HD22 LEU A 5 16.189 -0.078 0.803 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.602 -1.626 1.455 1.00 1.27 H new ATOM 67 N CYS A 6 13.151 -1.372 5.067 1.00 0.34 N ATOM 68 CA CYS A 6 11.966 -2.203 5.231 1.00 0.31 C ATOM 69 C CYS A 6 10.714 -1.340 5.336 1.00 0.24 C ATOM 70 O CYS A 6 10.686 -0.358 6.075 1.00 0.27 O ATOM 71 CB CYS A 6 12.125 -3.104 6.458 1.00 0.40 C ATOM 72 SG CYS A 6 10.711 -4.184 6.784 1.00 1.35 S ATOM 0 H CYS A 6 13.151 -0.513 5.617 1.00 0.34 H new ATOM 0 HA CYS A 6 11.855 -2.838 4.352 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.014 -3.720 6.328 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.297 -2.478 7.333 1.00 0.40 H new ATOM 0 HG CYS A 6 10.088 -4.431 5.670 1.00 1.35 H new ATOM 78 N VAL A 7 9.686 -1.711 4.586 1.00 0.24 N ATOM 79 CA VAL A 7 8.463 -0.923 4.501 1.00 0.25 C ATOM 80 C VAL A 7 7.288 -1.714 5.076 1.00 0.25 C ATOM 81 O VAL A 7 7.358 -2.938 5.220 1.00 0.31 O ATOM 82 CB VAL A 7 8.172 -0.513 3.042 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.397 0.153 2.441 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.747 -1.703 2.197 1.00 0.61 C ATOM 0 H VAL A 7 9.675 -2.561 4.022 1.00 0.24 H new ATOM 0 HA VAL A 7 8.598 -0.014 5.087 1.00 0.25 H new ATOM 0 HB VAL A 7 7.342 0.194 3.049 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.186 0.440 1.411 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.650 1.041 3.021 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.235 -0.543 2.459 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.551 -1.373 1.177 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.543 -2.448 2.191 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.842 -2.142 2.616 1.00 0.61 H new ATOM 94 N LYS A 8 6.221 -1.017 5.421 1.00 0.26 N ATOM 95 CA LYS A 8 5.065 -1.640 6.051 1.00 0.28 C ATOM 96 C LYS A 8 3.778 -1.252 5.345 1.00 0.28 C ATOM 97 O LYS A 8 3.662 -0.160 4.804 1.00 0.38 O ATOM 98 CB LYS A 8 4.982 -1.225 7.518 1.00 0.35 C ATOM 99 CG LYS A 8 6.079 -1.819 8.380 1.00 0.61 C ATOM 100 CD LYS A 8 6.172 -1.116 9.727 1.00 0.86 C ATOM 101 CE LYS A 8 6.486 0.367 9.564 1.00 1.08 C ATOM 102 NZ LYS A 8 6.618 1.058 10.873 1.00 1.61 N ATOM 0 H LYS A 8 6.128 -0.012 5.275 1.00 0.26 H new ATOM 0 HA LYS A 8 5.188 -2.721 5.979 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.029 -0.138 7.583 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.014 -1.526 7.918 1.00 0.35 H new ATOM 0 HG2 LYS A 8 5.887 -2.881 8.535 1.00 0.61 H new ATOM 0 HG3 LYS A 8 7.034 -1.740 7.861 1.00 0.61 H new ATOM 0 HD2 LYS A 8 5.231 -1.233 10.265 1.00 0.86 H new ATOM 0 HD3 LYS A 8 6.946 -1.588 10.332 1.00 0.86 H new ATOM 0 HE2 LYS A 8 7.411 0.481 8.999 1.00 1.08 H new ATOM 0 HE3 LYS A 8 5.697 0.842 8.982 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 6.831 2.064 10.715 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 5.727 0.972 11.402 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 7.388 0.622 11.419 1.00 1.61 H new ATOM 116 N VAL A 9 2.824 -2.163 5.362 1.00 0.25 N ATOM 117 CA VAL A 9 1.512 -1.936 4.778 1.00 0.26 C ATOM 118 C VAL A 9 0.437 -2.206 5.825 1.00 0.23 C ATOM 119 O VAL A 9 0.380 -3.298 6.377 1.00 0.27 O ATOM 120 CB VAL A 9 1.287 -2.865 3.566 1.00 0.30 C ATOM 121 CG1 VAL A 9 -0.154 -2.800 3.085 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.249 -2.518 2.438 1.00 0.77 C ATOM 0 H VAL A 9 2.936 -3.086 5.782 1.00 0.25 H new ATOM 0 HA VAL A 9 1.455 -0.901 4.442 1.00 0.26 H new ATOM 0 HB VAL A 9 1.486 -3.888 3.885 1.00 0.30 H new ATOM 0 HG11 VAL A 9 -0.283 -3.464 2.231 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.821 -3.110 3.890 1.00 0.89 H new ATOM 0 HG13 VAL A 9 -0.393 -1.778 2.789 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.074 -3.184 1.593 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.087 -1.486 2.126 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.275 -2.635 2.786 1.00 0.77 H new ATOM 132 N GLU A 10 -0.403 -1.223 6.107 1.00 0.21 N ATOM 133 CA GLU A 10 -1.409 -1.380 7.150 1.00 0.23 C ATOM 134 C GLU A 10 -2.761 -0.817 6.701 1.00 0.25 C ATOM 135 O GLU A 10 -2.830 0.020 5.796 1.00 0.26 O ATOM 136 CB GLU A 10 -0.918 -0.705 8.440 1.00 0.28 C ATOM 137 CG GLU A 10 -1.878 -0.789 9.616 1.00 0.37 C ATOM 138 CD GLU A 10 -1.291 -0.196 10.882 1.00 0.48 C ATOM 139 OE1 GLU A 10 -1.358 1.035 11.059 1.00 1.08 O ATOM 140 OE2 GLU A 10 -0.750 -0.964 11.707 1.00 0.99 O ATOM 0 H GLU A 10 -0.411 -0.318 5.636 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.557 -2.442 7.346 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.030 -1.158 8.731 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.717 0.345 8.229 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.801 -0.266 9.367 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.141 -1.832 9.794 1.00 0.37 H new ATOM 147 N PHE A 11 -3.831 -1.304 7.325 1.00 0.30 N ATOM 148 CA PHE A 11 -5.182 -0.863 7.011 1.00 0.34 C ATOM 149 C PHE A 11 -5.504 0.420 7.769 1.00 0.34 C ATOM 150 O PHE A 11 -4.964 0.663 8.849 1.00 0.74 O ATOM 151 CB PHE A 11 -6.207 -1.947 7.388 1.00 0.74 C ATOM 152 CG PHE A 11 -6.975 -1.638 8.651 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.404 -1.838 9.895 1.00 2.77 C ATOM 154 CD2 PHE A 11 -8.262 -1.125 8.587 1.00 2.89 C ATOM 155 CE1 PHE A 11 -7.099 -1.535 11.050 1.00 4.09 C ATOM 156 CE2 PHE A 11 -8.960 -0.818 9.739 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.377 -1.022 10.971 1.00 4.80 C ATOM 0 H PHE A 11 -3.784 -2.012 8.058 1.00 0.30 H new ATOM 0 HA PHE A 11 -5.239 -0.677 5.938 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.911 -2.071 6.565 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.689 -2.898 7.511 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.402 -2.236 9.964 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.724 -0.963 7.624 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -6.642 -1.700 12.014 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -9.961 -0.419 9.674 1.00 4.21 H new ATOM 0 HZ PHE A 11 -8.920 -0.781 11.873 1.00 4.80 H new ATOM 167 N GLY A 12 -6.383 1.235 7.210 1.00 0.23 N ATOM 168 CA GLY A 12 -6.802 2.438 7.893 1.00 0.39 C ATOM 169 C GLY A 12 -8.308 2.595 7.892 1.00 0.28 C ATOM 170 O GLY A 12 -8.959 2.439 8.921 1.00 0.34 O ATOM 0 H GLY A 12 -6.813 1.085 6.297 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.440 2.416 8.921 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.347 3.305 7.413 1.00 0.39 H new ATOM 174 N GLY A 13 -8.864 2.864 6.717 1.00 0.24 N ATOM 175 CA GLY A 13 -10.292 3.107 6.599 1.00 0.26 C ATOM 176 C GLY A 13 -11.098 1.825 6.490 1.00 0.29 C ATOM 177 O GLY A 13 -11.751 1.592 5.478 1.00 0.45 O ATOM 0 H GLY A 13 -8.349 2.919 5.838 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.633 3.673 7.466 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -10.480 3.725 5.721 1.00 0.26 H new ATOM 181 N GLY A 14 -11.030 0.986 7.521 1.00 0.28 N ATOM 182 CA GLY A 14 -11.775 -0.267 7.520 1.00 0.35 C ATOM 183 C GLY A 14 -11.299 -1.213 6.437 1.00 0.36 C ATOM 184 O GLY A 14 -11.973 -2.183 6.097 1.00 0.41 O ATOM 0 H GLY A 14 -10.472 1.150 8.359 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.673 -0.749 8.492 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.835 -0.058 7.377 1.00 0.35 H new ATOM 188 N ALA A 15 -10.108 -0.939 5.923 1.00 0.35 N ATOM 189 CA ALA A 15 -9.560 -1.664 4.789 1.00 0.39 C ATOM 190 C ALA A 15 -9.306 -3.139 5.117 1.00 0.39 C ATOM 191 O ALA A 15 -9.325 -3.984 4.227 1.00 0.42 O ATOM 192 CB ALA A 15 -8.286 -0.973 4.319 1.00 0.44 C ATOM 0 H ALA A 15 -9.495 -0.207 6.282 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.294 -1.652 3.983 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.871 -1.514 3.468 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.516 0.050 4.022 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.558 -0.960 5.130 1.00 0.44 H new ATOM 198 N GLU A 16 -9.106 -3.449 6.399 1.00 0.38 N ATOM 199 CA GLU A 16 -8.825 -4.825 6.827 1.00 0.38 C ATOM 200 C GLU A 16 -9.993 -5.747 6.526 1.00 0.36 C ATOM 201 O GLU A 16 -9.813 -6.946 6.335 1.00 0.37 O ATOM 202 CB GLU A 16 -8.506 -4.894 8.323 1.00 0.45 C ATOM 203 CG GLU A 16 -9.665 -4.447 9.206 1.00 0.57 C ATOM 204 CD GLU A 16 -9.476 -4.788 10.671 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.510 -5.984 11.016 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.270 -3.865 11.483 1.00 1.60 O ATOM 0 H GLU A 16 -9.133 -2.769 7.159 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.953 -5.155 6.262 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.233 -5.917 8.583 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.637 -4.270 8.532 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.793 -3.369 9.106 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.584 -4.912 8.849 1.00 0.57 H new ATOM 213 N LEU A 17 -11.191 -5.185 6.492 1.00 0.35 N ATOM 214 CA LEU A 17 -12.394 -5.964 6.251 1.00 0.37 C ATOM 215 C LEU A 17 -12.396 -6.525 4.833 1.00 0.36 C ATOM 216 O LEU A 17 -13.163 -7.431 4.514 1.00 0.41 O ATOM 217 CB LEU A 17 -13.630 -5.102 6.501 1.00 0.39 C ATOM 218 CG LEU A 17 -13.713 -4.511 7.909 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.919 -3.602 8.038 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.764 -5.616 8.953 1.00 0.83 C ATOM 0 H LEU A 17 -11.356 -4.188 6.629 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.414 -6.807 6.942 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.643 -4.287 5.777 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.521 -5.704 6.319 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.816 -3.917 8.082 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.959 -3.192 9.047 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.839 -2.787 7.318 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.827 -4.172 7.841 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.823 -5.174 9.948 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.641 -6.239 8.780 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.864 -6.227 8.880 1.00 0.83 H new ATOM 232 N LEU A 18 -11.516 -5.994 3.995 1.00 0.35 N ATOM 233 CA LEU A 18 -11.337 -6.504 2.643 1.00 0.39 C ATOM 234 C LEU A 18 -10.356 -7.663 2.673 1.00 0.42 C ATOM 235 O LEU A 18 -10.327 -8.499 1.768 1.00 0.49 O ATOM 236 CB LEU A 18 -10.786 -5.410 1.722 1.00 0.38 C ATOM 237 CG LEU A 18 -11.554 -4.085 1.745 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.740 -2.985 1.076 1.00 0.47 C ATOM 239 CD2 LEU A 18 -12.898 -4.239 1.049 1.00 0.49 C ATOM 0 H LEU A 18 -10.912 -5.206 4.230 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.304 -6.834 2.263 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -9.750 -5.215 1.997 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -10.778 -5.789 0.700 1.00 0.38 H new ATOM 0 HG LEU A 18 -11.728 -3.807 2.784 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.301 -2.051 1.101 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -9.797 -2.856 1.607 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.539 -3.260 0.040 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.432 -3.289 1.074 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.739 -4.539 0.013 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.488 -5.000 1.561 1.00 0.49 H new ATOM 251 N PHE A 19 -9.569 -7.705 3.743 1.00 0.39 N ATOM 252 CA PHE A 19 -8.436 -8.610 3.843 1.00 0.47 C ATOM 253 C PHE A 19 -8.666 -9.673 4.913 1.00 0.60 C ATOM 254 O PHE A 19 -7.729 -10.359 5.323 1.00 0.97 O ATOM 255 CB PHE A 19 -7.186 -7.809 4.198 1.00 0.45 C ATOM 256 CG PHE A 19 -6.994 -6.574 3.363 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.229 -6.602 2.002 1.00 0.42 C ATOM 258 CD2 PHE A 19 -6.564 -5.392 3.940 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.044 -5.479 1.231 1.00 0.52 C ATOM 260 CE2 PHE A 19 -6.377 -4.259 3.172 1.00 0.75 C ATOM 261 CZ PHE A 19 -6.619 -4.302 1.815 1.00 0.59 C ATOM 0 H PHE A 19 -9.701 -7.112 4.563 1.00 0.39 H new ATOM 0 HA PHE A 19 -8.312 -9.110 2.883 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.238 -7.521 5.248 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.312 -8.450 4.086 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.562 -7.518 1.538 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -6.373 -5.355 5.002 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -7.231 -5.517 0.168 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -6.042 -3.342 3.633 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.477 -3.418 1.211 1.00 0.59 H new ATOM 271 N ASP A 20 -9.914 -9.773 5.376 1.00 0.55 N ATOM 272 CA ASP A 20 -10.329 -10.778 6.370 1.00 0.69 C ATOM 273 C ASP A 20 -9.893 -10.385 7.787 1.00 0.72 C ATOM 274 O ASP A 20 -10.017 -11.167 8.726 1.00 1.07 O ATOM 275 CB ASP A 20 -9.790 -12.169 5.998 1.00 0.80 C ATOM 276 CG ASP A 20 -10.436 -13.298 6.784 1.00 1.16 C ATOM 277 OD1 ASP A 20 -11.594 -13.657 6.475 1.00 1.55 O ATOM 278 OD2 ASP A 20 -9.780 -13.847 7.694 1.00 1.28 O ATOM 0 H ASP A 20 -10.671 -9.160 5.074 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.418 -10.818 6.361 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -9.950 -12.340 4.933 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -8.713 -12.190 6.166 1.00 0.80 H new ATOM 283 N GLY A 21 -9.402 -9.161 7.944 1.00 0.57 N ATOM 284 CA GLY A 21 -9.082 -8.660 9.271 1.00 0.59 C ATOM 285 C GLY A 21 -7.598 -8.491 9.525 1.00 0.59 C ATOM 286 O GLY A 21 -7.202 -8.083 10.618 1.00 0.79 O ATOM 0 H GLY A 21 -9.220 -8.508 7.182 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.576 -7.699 9.414 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.492 -9.343 10.015 1.00 0.59 H new ATOM 290 N VAL A 22 -6.769 -8.809 8.540 1.00 0.51 N ATOM 291 CA VAL A 22 -5.340 -8.560 8.671 1.00 0.53 C ATOM 292 C VAL A 22 -5.069 -7.071 8.465 1.00 0.45 C ATOM 293 O VAL A 22 -5.586 -6.456 7.532 1.00 0.47 O ATOM 294 CB VAL A 22 -4.497 -9.420 7.698 1.00 0.68 C ATOM 295 CG1 VAL A 22 -4.861 -9.145 6.253 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.011 -9.196 7.932 1.00 1.41 C ATOM 0 H VAL A 22 -7.054 -9.232 7.657 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.035 -8.852 9.676 1.00 0.53 H new ATOM 0 HB VAL A 22 -4.725 -10.467 7.901 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -4.249 -9.766 5.599 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -5.914 -9.376 6.093 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -4.682 -8.094 6.026 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -2.437 -9.810 7.238 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -2.772 -8.145 7.770 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -2.758 -9.473 8.956 1.00 1.41 H new ATOM 306 N LYS A 23 -4.283 -6.492 9.358 1.00 0.48 N ATOM 307 CA LYS A 23 -4.119 -5.051 9.404 1.00 0.52 C ATOM 308 C LYS A 23 -2.716 -4.633 8.979 1.00 0.40 C ATOM 309 O LYS A 23 -2.502 -4.184 7.857 1.00 0.37 O ATOM 310 CB LYS A 23 -4.402 -4.563 10.823 1.00 0.75 C ATOM 311 CG LYS A 23 -5.807 -4.889 11.307 1.00 0.85 C ATOM 312 CD LYS A 23 -5.917 -4.793 12.819 1.00 1.06 C ATOM 313 CE LYS A 23 -5.433 -3.446 13.335 1.00 1.11 C ATOM 314 NZ LYS A 23 -5.498 -3.359 14.815 1.00 2.07 N ATOM 0 H LYS A 23 -3.748 -7.001 10.062 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.822 -4.599 8.704 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.678 -5.011 11.504 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.253 -3.484 10.864 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.519 -4.204 10.846 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -6.078 -5.895 10.986 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.954 -4.946 13.119 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.332 -5.590 13.278 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.407 -3.280 13.007 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -6.039 -2.652 12.899 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -5.159 -2.425 15.123 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -6.481 -3.491 15.128 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -4.899 -4.100 15.233 1.00 2.07 H new ATOM 328 N LYS A 24 -1.771 -4.786 9.893 1.00 0.38 N ATOM 329 CA LYS A 24 -0.392 -4.390 9.662 1.00 0.33 C ATOM 330 C LYS A 24 0.415 -5.541 9.071 1.00 0.34 C ATOM 331 O LYS A 24 0.481 -6.631 9.641 1.00 0.47 O ATOM 332 CB LYS A 24 0.229 -3.932 10.981 1.00 0.43 C ATOM 333 CG LYS A 24 1.640 -3.376 10.854 1.00 0.49 C ATOM 334 CD LYS A 24 2.170 -2.948 12.212 1.00 0.66 C ATOM 335 CE LYS A 24 3.568 -2.363 12.117 1.00 1.04 C ATOM 336 NZ LYS A 24 4.099 -1.997 13.456 1.00 1.59 N ATOM 0 H LYS A 24 -1.939 -5.188 10.815 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.377 -3.569 8.946 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.411 -3.168 11.423 1.00 0.43 H new ATOM 0 HB3 LYS A 24 0.245 -4.774 11.673 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.297 -4.131 10.423 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.642 -2.525 10.172 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.497 -2.210 12.648 1.00 0.66 H new ATOM 0 HD3 LYS A 24 2.181 -3.806 12.884 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.234 -3.085 11.646 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.551 -1.480 11.478 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.055 -1.601 13.354 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.476 -1.289 13.895 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.138 -2.844 14.058 1.00 1.59 H new ATOM 350 N HIS A 25 1.015 -5.293 7.922 1.00 0.29 N ATOM 351 CA HIS A 25 1.836 -6.282 7.248 1.00 0.34 C ATOM 352 C HIS A 25 3.210 -5.702 6.943 1.00 0.34 C ATOM 353 O HIS A 25 3.319 -4.630 6.351 1.00 0.43 O ATOM 354 CB HIS A 25 1.161 -6.715 5.947 1.00 0.42 C ATOM 355 CG HIS A 25 1.852 -7.856 5.259 1.00 0.69 C ATOM 356 ND1 HIS A 25 2.519 -7.724 4.059 1.00 1.46 N ATOM 357 CD2 HIS A 25 1.969 -9.158 5.609 1.00 1.39 C ATOM 358 CE1 HIS A 25 3.017 -8.897 3.705 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.698 -9.782 4.628 1.00 1.44 N ATOM 0 H HIS A 25 0.947 -4.402 7.430 1.00 0.29 H new ATOM 0 HA HIS A 25 1.952 -7.147 7.900 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.131 -7.001 6.160 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.121 -5.863 5.268 1.00 0.42 H new ATOM 0 HD2 HIS A 25 1.563 -9.621 6.497 1.00 1.39 H new ATOM 0 HE1 HIS A 25 3.589 -9.096 2.811 1.00 1.58 H new ATOM 0 HE2 HIS A 25 2.952 -10.770 4.615 1.00 1.44 H new ATOM 368 N GLN A 26 4.252 -6.408 7.339 1.00 0.36 N ATOM 369 CA GLN A 26 5.611 -5.965 7.085 1.00 0.38 C ATOM 370 C GLN A 26 6.173 -6.679 5.863 1.00 0.33 C ATOM 371 O GLN A 26 6.033 -7.898 5.725 1.00 0.47 O ATOM 372 CB GLN A 26 6.494 -6.249 8.302 1.00 0.54 C ATOM 373 CG GLN A 26 7.880 -5.634 8.209 1.00 0.67 C ATOM 374 CD GLN A 26 8.836 -6.197 9.241 1.00 1.12 C ATOM 375 OE1 GLN A 26 9.543 -7.170 8.981 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.861 -5.598 10.421 1.00 1.59 N ATOM 0 H GLN A 26 4.183 -7.294 7.840 1.00 0.36 H new ATOM 0 HA GLN A 26 5.600 -4.891 6.897 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.998 -5.871 9.196 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.592 -7.328 8.424 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.284 -5.807 7.212 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.804 -4.554 8.340 1.00 0.67 H new ATOM 0 HE21 GLN A 26 8.259 -4.794 10.597 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.482 -5.941 11.154 1.00 1.59 H new ATOM 385 N VAL A 27 6.788 -5.926 4.968 1.00 0.29 N ATOM 386 CA VAL A 27 7.440 -6.513 3.814 1.00 0.29 C ATOM 387 C VAL A 27 8.880 -6.013 3.708 1.00 0.28 C ATOM 388 O VAL A 27 9.140 -4.815 3.562 1.00 0.31 O ATOM 389 CB VAL A 27 6.648 -6.249 2.510 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.386 -4.769 2.302 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.364 -6.847 1.310 1.00 0.44 C ATOM 0 H VAL A 27 6.849 -4.909 5.019 1.00 0.29 H new ATOM 0 HA VAL A 27 7.463 -7.594 3.952 1.00 0.29 H new ATOM 0 HB VAL A 27 5.680 -6.741 2.611 1.00 0.35 H new ATOM 0 HG11 VAL A 27 5.828 -4.625 1.377 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.806 -4.381 3.140 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.335 -4.237 2.240 1.00 0.44 H new ATOM 0 HG21 VAL A 27 6.788 -6.648 0.406 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.353 -6.399 1.216 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.465 -7.924 1.446 1.00 0.44 H new ATOM 401 N ALA A 28 9.813 -6.945 3.817 1.00 0.31 N ATOM 402 CA ALA A 28 11.225 -6.613 3.883 1.00 0.33 C ATOM 403 C ALA A 28 11.834 -6.471 2.494 1.00 0.28 C ATOM 404 O ALA A 28 11.677 -7.346 1.641 1.00 0.29 O ATOM 405 CB ALA A 28 11.966 -7.665 4.689 1.00 0.41 C ATOM 0 H ALA A 28 9.614 -7.944 3.862 1.00 0.31 H new ATOM 0 HA ALA A 28 11.324 -5.648 4.380 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.025 -7.410 4.734 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.558 -7.703 5.699 1.00 0.41 H new ATOM 0 HB3 ALA A 28 11.848 -8.638 4.213 1.00 0.41 H new ATOM 411 N LEU A 29 12.536 -5.364 2.286 1.00 0.28 N ATOM 412 CA LEU A 29 13.145 -5.052 1.000 1.00 0.28 C ATOM 413 C LEU A 29 14.441 -5.818 0.798 1.00 0.32 C ATOM 414 O LEU A 29 15.236 -5.966 1.726 1.00 0.36 O ATOM 415 CB LEU A 29 13.462 -3.555 0.907 1.00 0.35 C ATOM 416 CG LEU A 29 12.317 -2.626 0.507 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.010 -2.783 -0.968 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.071 -2.882 1.339 1.00 1.04 C ATOM 0 H LEU A 29 12.699 -4.658 3.004 1.00 0.28 H new ATOM 0 HA LEU A 29 12.428 -5.340 0.231 1.00 0.28 H new ATOM 0 HB2 LEU A 29 13.840 -3.228 1.876 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.271 -3.424 0.188 1.00 0.35 H new ATOM 0 HG LEU A 29 12.635 -1.601 0.699 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.192 -2.116 -1.242 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.895 -2.532 -1.553 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.721 -3.814 -1.172 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.278 -2.203 1.026 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.744 -3.912 1.196 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.296 -2.715 2.392 1.00 1.04 H new ATOM 430 N PRO A 30 14.666 -6.316 -0.421 1.00 0.38 N ATOM 431 CA PRO A 30 15.956 -6.834 -0.822 1.00 0.53 C ATOM 432 C PRO A 30 16.871 -5.701 -1.264 1.00 0.76 C ATOM 433 O PRO A 30 16.425 -4.733 -1.889 1.00 1.64 O ATOM 434 CB PRO A 30 15.648 -7.754 -2.004 1.00 0.52 C ATOM 435 CG PRO A 30 14.178 -7.621 -2.279 1.00 0.51 C ATOM 436 CD PRO A 30 13.683 -6.435 -1.496 1.00 0.41 C ATOM 0 HA PRO A 30 16.465 -7.352 -0.009 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.233 -7.470 -2.879 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.906 -8.787 -1.769 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.997 -7.481 -3.345 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.648 -8.526 -1.982 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.645 -5.535 -2.109 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.678 -6.599 -1.107 1.00 0.41 H new ATOM 444 N GLY A 31 18.144 -5.828 -0.958 1.00 0.79 N ATOM 445 CA GLY A 31 19.082 -4.759 -1.222 1.00 0.88 C ATOM 446 C GLY A 31 19.648 -4.813 -2.624 1.00 1.01 C ATOM 447 O GLY A 31 20.840 -5.052 -2.810 1.00 1.64 O ATOM 0 H GLY A 31 18.552 -6.658 -0.528 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.586 -3.800 -1.071 1.00 0.88 H new ATOM 0 HA3 GLY A 31 19.899 -4.812 -0.502 1.00 0.88 H new ATOM 451 N GLN A 32 18.798 -4.599 -3.615 1.00 1.08 N ATOM 452 CA GLN A 32 19.250 -4.599 -4.995 1.00 1.37 C ATOM 453 C GLN A 32 18.443 -3.613 -5.839 1.00 1.07 C ATOM 454 O GLN A 32 18.825 -2.452 -5.970 1.00 1.59 O ATOM 455 CB GLN A 32 19.173 -6.007 -5.591 1.00 2.00 C ATOM 456 CG GLN A 32 20.010 -6.187 -6.851 1.00 2.66 C ATOM 457 CD GLN A 32 21.502 -6.334 -6.574 1.00 3.34 C ATOM 458 OE1 GLN A 32 21.987 -5.745 -5.486 1.00 3.88 O flip ATOM 459 NE2 GLN A 32 22.216 -6.992 -7.330 1.00 3.82 N flip ATOM 0 H GLN A 32 17.801 -4.425 -3.491 1.00 1.08 H new ATOM 0 HA GLN A 32 20.291 -4.278 -5.005 1.00 1.37 H new ATOM 0 HB2 GLN A 32 19.501 -6.727 -4.842 1.00 2.00 H new ATOM 0 HB3 GLN A 32 18.133 -6.238 -5.821 1.00 2.00 H new ATOM 0 HG2 GLN A 32 19.660 -7.069 -7.388 1.00 2.66 H new ATOM 0 HG3 GLN A 32 19.853 -5.331 -7.507 1.00 2.66 H new ATOM 0 HE21 GLN A 32 21.813 -7.432 -8.157 1.00 3.82 H new ATOM 0 HE22 GLN A 32 23.210 -7.097 -7.129 1.00 3.82 H new ATOM 468 N GLU A 33 17.327 -4.066 -6.397 1.00 0.97 N ATOM 469 CA GLU A 33 16.511 -3.212 -7.255 1.00 0.88 C ATOM 470 C GLU A 33 15.289 -2.693 -6.510 1.00 0.88 C ATOM 471 O GLU A 33 14.635 -1.763 -6.969 1.00 1.63 O ATOM 472 CB GLU A 33 16.081 -3.967 -8.515 1.00 1.23 C ATOM 473 CG GLU A 33 17.226 -4.279 -9.462 1.00 1.72 C ATOM 474 CD GLU A 33 17.813 -3.037 -10.101 1.00 2.31 C ATOM 475 OE1 GLU A 33 18.658 -2.378 -9.459 1.00 3.02 O ATOM 476 OE2 GLU A 33 17.432 -2.709 -11.245 1.00 2.65 O ATOM 0 H GLU A 33 16.967 -5.012 -6.273 1.00 0.97 H new ATOM 0 HA GLU A 33 17.119 -2.357 -7.549 1.00 0.88 H new ATOM 0 HB2 GLU A 33 15.600 -4.900 -8.222 1.00 1.23 H new ATOM 0 HB3 GLU A 33 15.334 -3.376 -9.045 1.00 1.23 H new ATOM 0 HG2 GLU A 33 18.009 -4.807 -8.917 1.00 1.72 H new ATOM 0 HG3 GLU A 33 16.873 -4.952 -10.243 1.00 1.72 H new ATOM 483 N GLU A 34 14.995 -3.305 -5.361 1.00 0.54 N ATOM 484 CA GLU A 34 13.893 -2.867 -4.497 1.00 0.56 C ATOM 485 C GLU A 34 12.556 -2.930 -5.242 1.00 0.48 C ATOM 486 O GLU A 34 12.066 -1.920 -5.734 1.00 0.58 O ATOM 487 CB GLU A 34 14.155 -1.440 -3.996 1.00 0.72 C ATOM 488 CG GLU A 34 15.550 -1.253 -3.415 1.00 0.96 C ATOM 489 CD GLU A 34 15.985 0.198 -3.379 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.241 0.776 -4.460 1.00 2.31 O ATOM 491 OE2 GLU A 34 16.111 0.763 -2.273 1.00 1.97 O ATOM 0 H GLU A 34 15.508 -4.111 -5.004 1.00 0.54 H new ATOM 0 HA GLU A 34 13.837 -3.541 -3.642 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.016 -0.741 -4.821 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.415 -1.187 -3.236 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.574 -1.659 -2.404 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.264 -1.826 -4.006 1.00 0.96 H new ATOM 498 N PRO A 35 11.953 -4.127 -5.340 1.00 0.41 N ATOM 499 CA PRO A 35 10.745 -4.346 -6.139 1.00 0.40 C ATOM 500 C PRO A 35 9.452 -4.147 -5.356 1.00 0.35 C ATOM 501 O PRO A 35 8.368 -4.459 -5.843 1.00 0.39 O ATOM 502 CB PRO A 35 10.887 -5.811 -6.528 1.00 0.48 C ATOM 503 CG PRO A 35 11.565 -6.448 -5.357 1.00 0.50 C ATOM 504 CD PRO A 35 12.397 -5.375 -4.692 1.00 0.46 C ATOM 0 HA PRO A 35 10.673 -3.642 -6.968 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.915 -6.266 -6.719 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.477 -5.924 -7.438 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.832 -6.854 -4.661 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.193 -7.279 -5.680 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.227 -5.348 -3.616 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.463 -5.546 -4.843 1.00 0.46 H new ATOM 512 N TRP A 36 9.567 -3.627 -4.148 1.00 0.30 N ATOM 513 CA TRP A 36 8.419 -3.520 -3.259 1.00 0.27 C ATOM 514 C TRP A 36 7.768 -2.149 -3.350 1.00 0.24 C ATOM 515 O TRP A 36 7.254 -1.633 -2.359 1.00 0.25 O ATOM 516 CB TRP A 36 8.835 -3.825 -1.818 1.00 0.28 C ATOM 517 CG TRP A 36 9.254 -5.253 -1.605 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.120 -5.708 -0.656 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.835 -6.411 -2.351 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.261 -7.068 -0.755 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.485 -7.523 -1.787 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.974 -6.617 -3.436 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.301 -8.818 -2.268 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.795 -7.901 -3.911 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.455 -8.986 -3.328 1.00 0.42 C ATOM 0 H TRP A 36 10.440 -3.272 -3.758 1.00 0.30 H new ATOM 0 HA TRP A 36 7.680 -4.256 -3.576 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.658 -3.167 -1.539 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.004 -3.595 -1.152 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.623 -5.086 0.070 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.849 -7.648 -0.156 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.459 -5.785 -3.894 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.809 -9.659 -1.819 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.133 -8.070 -4.748 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.293 -9.978 -3.723 1.00 0.42 H new ATOM 536 N ASP A 37 7.780 -1.574 -4.545 1.00 0.24 N ATOM 537 CA ASP A 37 7.153 -0.278 -4.780 1.00 0.21 C ATOM 538 C ASP A 37 5.676 -0.343 -4.430 1.00 0.21 C ATOM 539 O ASP A 37 5.075 -1.420 -4.444 1.00 0.24 O ATOM 540 CB ASP A 37 7.291 0.148 -6.241 1.00 0.25 C ATOM 541 CG ASP A 37 8.648 -0.163 -6.828 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.864 -1.325 -7.240 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.489 0.743 -6.895 1.00 1.21 O ATOM 0 H ASP A 37 8.218 -1.985 -5.369 1.00 0.24 H new ATOM 0 HA ASP A 37 7.659 0.452 -4.148 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.524 -0.352 -6.832 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.106 1.219 -6.319 1.00 0.25 H new ATOM 548 N ILE A 38 5.088 0.812 -4.143 1.00 0.20 N ATOM 549 CA ILE A 38 3.684 0.882 -3.740 1.00 0.20 C ATOM 550 C ILE A 38 2.788 0.226 -4.785 1.00 0.20 C ATOM 551 O ILE A 38 1.862 -0.505 -4.447 1.00 0.23 O ATOM 552 CB ILE A 38 3.220 2.345 -3.511 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.271 3.113 -2.701 1.00 0.20 C ATOM 554 CG2 ILE A 38 1.874 2.373 -2.797 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.671 2.451 -1.394 1.00 0.24 C ATOM 0 H ILE A 38 5.560 1.715 -4.181 1.00 0.20 H new ATOM 0 HA ILE A 38 3.599 0.343 -2.796 1.00 0.20 H new ATOM 0 HB ILE A 38 3.104 2.829 -4.481 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.162 3.241 -3.316 1.00 0.20 H new ATOM 0 HG13 ILE A 38 3.887 4.110 -2.485 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.564 3.407 -2.645 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.130 1.857 -3.403 1.00 0.23 H new ATOM 0 HG23 ILE A 38 1.964 1.875 -1.831 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.418 3.064 -0.889 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.794 2.348 -0.755 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.089 1.465 -1.598 1.00 0.24 H new ATOM 567 N ARG A 39 3.099 0.467 -6.054 1.00 0.19 N ATOM 568 CA ARG A 39 2.338 -0.095 -7.165 1.00 0.20 C ATOM 569 C ARG A 39 2.363 -1.634 -7.143 1.00 0.19 C ATOM 570 O ARG A 39 1.368 -2.282 -7.465 1.00 0.25 O ATOM 571 CB ARG A 39 2.878 0.446 -8.495 1.00 0.31 C ATOM 572 CG ARG A 39 4.370 0.238 -8.686 1.00 0.99 C ATOM 573 CD ARG A 39 4.668 -1.006 -9.503 1.00 1.11 C ATOM 574 NE ARG A 39 4.471 -0.782 -10.934 1.00 1.63 N ATOM 575 CZ ARG A 39 4.580 -1.730 -11.862 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.838 -2.985 -11.515 1.00 2.03 N ATOM 577 NH2 ARG A 39 4.421 -1.420 -13.144 1.00 2.62 N ATOM 0 H ARG A 39 3.882 1.055 -6.341 1.00 0.19 H new ATOM 0 HA ARG A 39 1.297 0.211 -7.058 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.346 -0.037 -9.315 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.659 1.512 -8.558 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.797 1.109 -9.182 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.853 0.157 -7.712 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.696 -1.320 -9.323 1.00 1.11 H new ATOM 0 HD3 ARG A 39 4.024 -1.820 -9.172 1.00 1.11 H new ATOM 0 HE ARG A 39 4.235 0.162 -11.241 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.954 -3.229 -10.531 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.920 -3.706 -12.232 1.00 2.03 H new ATOM 0 HH21 ARG A 39 4.216 -0.458 -13.414 1.00 2.62 H new ATOM 0 HH22 ARG A 39 4.504 -2.144 -13.858 1.00 2.62 H new ATOM 591 N ASN A 40 3.500 -2.217 -6.749 1.00 0.17 N ATOM 592 CA ASN A 40 3.649 -3.672 -6.694 1.00 0.18 C ATOM 593 C ASN A 40 2.966 -4.247 -5.467 1.00 0.18 C ATOM 594 O ASN A 40 2.340 -5.306 -5.529 1.00 0.22 O ATOM 595 CB ASN A 40 5.129 -4.043 -6.697 1.00 0.22 C ATOM 596 CG ASN A 40 5.754 -3.828 -8.054 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.190 -4.206 -9.081 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.884 -3.157 -8.073 1.00 0.59 N ATOM 0 H ASN A 40 4.332 -1.700 -6.463 1.00 0.17 H new ATOM 0 HA ASN A 40 3.170 -4.098 -7.575 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.656 -3.444 -5.954 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.243 -5.087 -6.405 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.328 -2.930 -8.963 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.317 -2.863 -7.198 1.00 0.59 H new ATOM 605 N LEU A 41 3.085 -3.546 -4.351 1.00 0.18 N ATOM 606 CA LEU A 41 2.425 -3.960 -3.121 1.00 0.19 C ATOM 607 C LEU A 41 0.923 -3.864 -3.278 1.00 0.19 C ATOM 608 O LEU A 41 0.175 -4.663 -2.725 1.00 0.21 O ATOM 609 CB LEU A 41 2.895 -3.108 -1.947 1.00 0.21 C ATOM 610 CG LEU A 41 4.097 -3.671 -1.194 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.689 -4.910 -0.415 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.218 -4.015 -2.160 1.00 0.29 C ATOM 0 H LEU A 41 3.632 -2.689 -4.270 1.00 0.18 H new ATOM 0 HA LEU A 41 2.689 -4.997 -2.917 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.147 -2.113 -2.315 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.068 -2.989 -1.247 1.00 0.21 H new ATOM 0 HG LEU A 41 4.456 -2.912 -0.499 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.553 -5.305 0.119 1.00 0.32 H new ATOM 0 HD12 LEU A 41 2.908 -4.650 0.300 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.312 -5.666 -1.104 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.067 -4.415 -1.605 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.867 -4.760 -2.874 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.525 -3.117 -2.695 1.00 0.29 H new ATOM 624 N LEU A 42 0.498 -2.887 -4.052 1.00 0.19 N ATOM 625 CA LEU A 42 -0.898 -2.729 -4.407 1.00 0.23 C ATOM 626 C LEU A 42 -1.408 -3.982 -5.118 1.00 0.21 C ATOM 627 O LEU A 42 -2.550 -4.408 -4.921 1.00 0.26 O ATOM 628 CB LEU A 42 -1.023 -1.488 -5.290 1.00 0.30 C ATOM 629 CG LEU A 42 -2.412 -1.157 -5.818 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.506 0.330 -6.061 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.690 -1.904 -7.111 1.00 0.82 C ATOM 0 H LEU A 42 1.112 -2.178 -4.454 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.510 -2.598 -3.515 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.662 -0.630 -4.723 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.356 -1.610 -6.143 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.153 -1.463 -5.079 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.498 0.575 -6.439 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.332 0.863 -5.126 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.755 0.627 -6.793 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.688 -1.652 -7.469 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.952 -1.620 -7.861 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.629 -2.977 -6.931 1.00 0.82 H new ATOM 643 N VAL A 43 -0.549 -4.567 -5.939 1.00 0.20 N ATOM 644 CA VAL A 43 -0.861 -5.815 -6.615 1.00 0.22 C ATOM 645 C VAL A 43 -0.922 -6.946 -5.607 1.00 0.22 C ATOM 646 O VAL A 43 -1.867 -7.730 -5.605 1.00 0.24 O ATOM 647 CB VAL A 43 0.186 -6.156 -7.693 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.149 -7.472 -8.384 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.295 -5.028 -8.701 1.00 0.32 C ATOM 0 H VAL A 43 0.376 -4.193 -6.153 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.828 -5.692 -7.102 1.00 0.22 H new ATOM 0 HB VAL A 43 1.153 -6.274 -7.204 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.606 -7.689 -9.140 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.166 -8.276 -7.648 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.127 -7.395 -8.859 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.039 -5.285 -9.455 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.671 -4.875 -9.181 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.596 -4.113 -8.192 1.00 0.32 H new ATOM 659 N TRP A 44 0.084 -7.009 -4.742 1.00 0.23 N ATOM 660 CA TRP A 44 0.127 -8.013 -3.688 1.00 0.27 C ATOM 661 C TRP A 44 -1.150 -7.954 -2.855 1.00 0.28 C ATOM 662 O TRP A 44 -1.754 -8.983 -2.549 1.00 0.33 O ATOM 663 CB TRP A 44 1.353 -7.797 -2.791 1.00 0.31 C ATOM 664 CG TRP A 44 1.467 -8.787 -1.668 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.902 -8.691 -0.424 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.201 -10.018 -1.678 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.228 -9.793 0.329 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.028 -10.620 -0.417 1.00 0.61 C ATOM 669 CE3 TRP A 44 2.987 -10.673 -2.633 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.608 -11.842 -0.087 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.563 -11.887 -2.304 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.372 -12.459 -1.039 1.00 0.85 C ATOM 0 H TRP A 44 0.882 -6.374 -4.751 1.00 0.23 H new ATOM 0 HA TRP A 44 0.203 -8.998 -4.149 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.253 -7.852 -3.403 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.312 -6.791 -2.373 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.289 -7.869 -0.084 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.924 -9.968 1.287 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.141 -10.238 -3.610 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.460 -12.287 0.886 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.170 -12.402 -3.034 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.838 -13.406 -0.811 1.00 0.85 H new ATOM 683 N ILE A 45 -1.569 -6.742 -2.519 1.00 0.26 N ATOM 684 CA ILE A 45 -2.772 -6.548 -1.731 1.00 0.29 C ATOM 685 C ILE A 45 -4.005 -6.987 -2.516 1.00 0.31 C ATOM 686 O ILE A 45 -4.822 -7.749 -2.019 1.00 0.37 O ATOM 687 CB ILE A 45 -2.936 -5.078 -1.292 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.784 -4.655 -0.375 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.264 -4.887 -0.585 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.828 -3.191 0.019 1.00 0.47 C ATOM 0 H ILE A 45 -1.092 -5.880 -2.781 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.673 -7.163 -0.837 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.916 -4.450 -2.182 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.806 -5.266 0.527 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.838 -4.860 -0.876 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.367 -3.846 -0.280 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -5.077 -5.150 -1.261 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.303 -5.528 0.296 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.982 -2.963 0.668 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.775 -2.572 -0.876 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.758 -2.985 0.549 1.00 0.47 H new ATOM 702 N LYS A 46 -4.129 -6.525 -3.748 1.00 0.29 N ATOM 703 CA LYS A 46 -5.283 -6.882 -4.567 1.00 0.35 C ATOM 704 C LYS A 46 -5.338 -8.389 -4.803 1.00 0.39 C ATOM 705 O LYS A 46 -6.323 -9.048 -4.474 1.00 0.44 O ATOM 706 CB LYS A 46 -5.249 -6.160 -5.920 1.00 0.39 C ATOM 707 CG LYS A 46 -6.479 -6.447 -6.773 1.00 0.91 C ATOM 708 CD LYS A 46 -6.403 -5.818 -8.161 1.00 0.91 C ATOM 709 CE LYS A 46 -6.696 -4.323 -8.142 1.00 1.26 C ATOM 710 NZ LYS A 46 -5.535 -3.521 -7.678 1.00 1.93 N ATOM 0 H LYS A 46 -3.455 -5.909 -4.203 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.174 -6.570 -4.022 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -5.172 -5.086 -5.752 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.355 -6.462 -6.466 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.600 -7.525 -6.875 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.365 -6.074 -6.259 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.410 -5.985 -8.578 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -7.113 -6.316 -8.821 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -6.980 -3.999 -9.143 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.549 -4.132 -7.491 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -5.429 -2.682 -8.283 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -5.691 -3.221 -6.695 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -4.671 -4.098 -7.731 1.00 1.93 H new ATOM 724 N LYS A 47 -4.253 -8.922 -5.336 1.00 0.41 N ATOM 725 CA LYS A 47 -4.201 -10.308 -5.783 1.00 0.52 C ATOM 726 C LYS A 47 -4.267 -11.294 -4.622 1.00 0.57 C ATOM 727 O LYS A 47 -5.047 -12.244 -4.653 1.00 0.78 O ATOM 728 CB LYS A 47 -2.918 -10.544 -6.585 1.00 0.65 C ATOM 729 CG LYS A 47 -2.837 -9.713 -7.855 1.00 1.31 C ATOM 730 CD LYS A 47 -3.783 -10.238 -8.915 1.00 1.66 C ATOM 731 CE LYS A 47 -3.892 -9.290 -10.098 1.00 2.33 C ATOM 732 NZ LYS A 47 -4.800 -9.825 -11.147 1.00 2.96 N ATOM 0 H LYS A 47 -3.382 -8.409 -5.472 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.075 -10.481 -6.410 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.058 -10.316 -5.955 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -2.851 -11.600 -6.846 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -3.080 -8.675 -7.629 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -1.816 -9.726 -8.237 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -3.436 -11.212 -9.261 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -4.770 -10.388 -8.478 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -4.260 -8.322 -9.757 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.902 -9.123 -10.523 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -4.850 -9.152 -11.939 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -4.435 -10.737 -11.490 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -5.750 -9.961 -10.747 1.00 2.96 H new ATOM 746 N ASN A 48 -3.463 -11.057 -3.596 1.00 0.50 N ATOM 747 CA ASN A 48 -3.272 -12.041 -2.538 1.00 0.58 C ATOM 748 C ASN A 48 -4.104 -11.730 -1.293 1.00 0.58 C ATOM 749 O ASN A 48 -4.338 -12.614 -0.465 1.00 0.77 O ATOM 750 CB ASN A 48 -1.778 -12.118 -2.185 1.00 0.61 C ATOM 751 CG ASN A 48 -1.460 -13.142 -1.108 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.297 -14.329 -1.395 1.00 2.21 O ATOM 753 ND2 ASN A 48 -1.342 -12.689 0.130 1.00 2.09 N ATOM 0 H ASN A 48 -2.933 -10.194 -3.473 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.618 -13.006 -2.908 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.213 -12.361 -3.085 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.441 -11.136 -1.852 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.108 -13.331 0.888 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.485 -11.698 0.326 1.00 2.09 H new ATOM 760 N LEU A 49 -4.575 -10.497 -1.162 1.00 0.42 N ATOM 761 CA LEU A 49 -5.230 -10.086 0.075 1.00 0.44 C ATOM 762 C LEU A 49 -6.704 -9.725 -0.130 1.00 0.39 C ATOM 763 O LEU A 49 -7.543 -10.064 0.704 1.00 0.39 O ATOM 764 CB LEU A 49 -4.484 -8.903 0.694 1.00 0.50 C ATOM 765 CG LEU A 49 -4.597 -8.788 2.211 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.019 -10.023 2.882 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.892 -7.534 2.699 1.00 1.10 C ATOM 0 H LEU A 49 -4.519 -9.776 -1.881 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.200 -10.940 0.752 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.430 -8.980 0.429 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.859 -7.983 0.247 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.652 -8.716 2.477 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.108 -9.924 3.964 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.566 -10.906 2.552 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -2.968 -10.126 2.612 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.981 -7.465 3.783 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.838 -7.578 2.423 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.350 -6.657 2.241 1.00 1.10 H new ATOM 779 N LEU A 50 -7.019 -9.033 -1.224 1.00 0.39 N ATOM 780 CA LEU A 50 -8.386 -8.589 -1.476 1.00 0.39 C ATOM 781 C LEU A 50 -9.275 -9.793 -1.771 1.00 0.41 C ATOM 782 O LEU A 50 -9.100 -10.476 -2.780 1.00 0.50 O ATOM 783 CB LEU A 50 -8.415 -7.594 -2.647 1.00 0.47 C ATOM 784 CG LEU A 50 -9.454 -6.468 -2.544 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.861 -7.024 -2.444 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.155 -5.580 -1.353 1.00 0.62 C ATOM 0 H LEU A 50 -6.348 -8.769 -1.946 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.766 -8.083 -0.588 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.427 -7.143 -2.740 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.600 -8.150 -3.566 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.391 -5.872 -3.454 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.573 -6.202 -2.372 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.081 -7.618 -3.331 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.942 -7.652 -1.557 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.901 -4.787 -1.294 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.184 -6.174 -0.440 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.165 -5.139 -1.467 1.00 0.62 H new ATOM 798 N LYS A 51 -10.218 -10.051 -0.875 1.00 0.40 N ATOM 799 CA LYS A 51 -11.085 -11.221 -0.982 1.00 0.47 C ATOM 800 C LYS A 51 -12.266 -10.965 -1.916 1.00 0.52 C ATOM 801 O LYS A 51 -12.693 -11.853 -2.658 1.00 0.63 O ATOM 802 CB LYS A 51 -11.613 -11.610 0.397 1.00 0.52 C ATOM 803 CG LYS A 51 -10.533 -11.768 1.455 1.00 0.57 C ATOM 804 CD LYS A 51 -11.131 -12.106 2.811 1.00 1.08 C ATOM 805 CE LYS A 51 -12.152 -11.065 3.249 1.00 1.81 C ATOM 806 NZ LYS A 51 -13.552 -11.534 3.064 1.00 2.26 N ATOM 0 H LYS A 51 -10.404 -9.464 -0.062 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.488 -12.033 -1.397 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.323 -10.853 0.729 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.163 -12.547 0.312 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.840 -12.554 1.155 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -9.957 -10.846 1.529 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -11.606 -13.086 2.766 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -10.336 -12.172 3.554 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -11.989 -10.819 4.298 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -12.000 -10.148 2.679 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -14.205 -10.733 3.180 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -13.661 -11.934 2.110 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -13.770 -12.263 3.773 1.00 2.26 H new ATOM 820 N GLU A 52 -12.800 -9.756 -1.863 1.00 0.52 N ATOM 821 CA GLU A 52 -13.986 -9.401 -2.631 1.00 0.59 C ATOM 822 C GLU A 52 -13.605 -8.625 -3.894 1.00 0.58 C ATOM 823 O GLU A 52 -12.527 -8.831 -4.452 1.00 0.72 O ATOM 824 CB GLU A 52 -14.945 -8.596 -1.748 1.00 0.66 C ATOM 825 CG GLU A 52 -14.297 -7.420 -1.035 1.00 0.64 C ATOM 826 CD GLU A 52 -15.208 -6.812 0.012 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.017 -5.927 -0.332 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.125 -7.228 1.186 1.00 1.16 O ATOM 0 H GLU A 52 -12.429 -8.997 -1.292 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.491 -10.312 -2.952 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.764 -8.226 -2.364 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.381 -9.262 -1.004 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.372 -7.749 -0.562 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.027 -6.658 -1.766 1.00 0.64 H new ATOM 835 N ARG A 53 -14.489 -7.746 -4.347 1.00 0.65 N ATOM 836 CA ARG A 53 -14.252 -6.993 -5.569 1.00 0.68 C ATOM 837 C ARG A 53 -13.304 -5.831 -5.313 1.00 0.59 C ATOM 838 O ARG A 53 -13.554 -4.999 -4.450 1.00 0.65 O ATOM 839 CB ARG A 53 -15.572 -6.476 -6.143 1.00 0.87 C ATOM 840 CG ARG A 53 -16.576 -7.582 -6.409 1.00 1.34 C ATOM 841 CD ARG A 53 -16.036 -8.594 -7.403 1.00 1.78 C ATOM 842 NE ARG A 53 -16.720 -9.879 -7.285 1.00 2.46 N ATOM 843 CZ ARG A 53 -16.225 -11.030 -7.731 1.00 3.32 C ATOM 844 NH1 ARG A 53 -15.088 -11.049 -8.416 1.00 3.80 N ATOM 845 NH2 ARG A 53 -16.878 -12.161 -7.504 1.00 4.10 N ATOM 0 H ARG A 53 -15.375 -7.538 -3.887 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.790 -7.663 -6.295 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.007 -5.757 -5.449 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.373 -5.942 -7.072 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -16.822 -8.084 -5.474 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -17.501 -7.151 -6.792 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -16.155 -8.209 -8.416 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -14.968 -8.733 -7.238 1.00 1.78 H new ATOM 0 HE ARG A 53 -17.634 -9.895 -6.832 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -14.590 -10.178 -8.602 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -14.712 -11.934 -8.756 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -17.758 -12.147 -6.988 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -16.501 -13.045 -7.845 1.00 4.10 H new ATOM 859 N PRO A 54 -12.198 -5.764 -6.064 1.00 0.55 N ATOM 860 CA PRO A 54 -11.217 -4.674 -5.955 1.00 0.53 C ATOM 861 C PRO A 54 -11.755 -3.345 -6.480 1.00 0.57 C ATOM 862 O PRO A 54 -11.092 -2.317 -6.392 1.00 0.59 O ATOM 863 CB PRO A 54 -10.064 -5.137 -6.847 1.00 0.61 C ATOM 864 CG PRO A 54 -10.305 -6.589 -7.090 1.00 0.68 C ATOM 865 CD PRO A 54 -11.791 -6.759 -7.064 1.00 0.65 C ATOM 0 HA PRO A 54 -10.941 -4.494 -4.916 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.045 -4.580 -7.784 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.102 -4.975 -6.360 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.891 -6.900 -8.049 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.827 -7.199 -6.324 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.240 -6.565 -8.038 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.081 -7.769 -6.775 1.00 0.65 H new ATOM 873 N GLU A 55 -12.956 -3.387 -7.029 1.00 0.64 N ATOM 874 CA GLU A 55 -13.575 -2.219 -7.645 1.00 0.75 C ATOM 875 C GLU A 55 -13.846 -1.107 -6.631 1.00 0.69 C ATOM 876 O GLU A 55 -13.711 0.074 -6.948 1.00 0.80 O ATOM 877 CB GLU A 55 -14.868 -2.626 -8.346 1.00 0.92 C ATOM 878 CG GLU A 55 -14.674 -3.749 -9.353 1.00 1.39 C ATOM 879 CD GLU A 55 -13.559 -3.461 -10.338 1.00 1.89 C ATOM 880 OE1 GLU A 55 -13.801 -2.735 -11.322 1.00 2.27 O ATOM 881 OE2 GLU A 55 -12.434 -3.961 -10.135 1.00 2.43 O ATOM 0 H GLU A 55 -13.532 -4.228 -7.062 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.873 -1.821 -8.378 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.597 -2.939 -7.598 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.287 -1.758 -8.855 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.454 -4.675 -8.821 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -15.604 -3.908 -9.899 1.00 1.39 H new ATOM 888 N LEU A 56 -14.221 -1.478 -5.412 1.00 0.64 N ATOM 889 CA LEU A 56 -14.413 -0.495 -4.349 1.00 0.68 C ATOM 890 C LEU A 56 -13.104 -0.272 -3.600 1.00 0.59 C ATOM 891 O LEU A 56 -13.041 0.465 -2.613 1.00 0.69 O ATOM 892 CB LEU A 56 -15.555 -0.883 -3.379 1.00 0.81 C ATOM 893 CG LEU A 56 -15.680 -2.360 -2.952 1.00 1.09 C ATOM 894 CD1 LEU A 56 -16.222 -3.215 -4.088 1.00 1.86 C ATOM 895 CD2 LEU A 56 -14.355 -2.911 -2.450 1.00 2.05 C ATOM 0 H LEU A 56 -14.397 -2.444 -5.135 1.00 0.64 H new ATOM 0 HA LEU A 56 -14.717 0.441 -4.819 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.442 -0.284 -2.475 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.498 -0.589 -3.840 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.390 -2.400 -2.126 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -16.300 -4.251 -3.759 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.208 -2.852 -4.378 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -15.547 -3.155 -4.942 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -14.482 -3.954 -2.158 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -13.609 -2.844 -3.242 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -14.023 -2.331 -1.589 1.00 2.05 H new ATOM 907 N PHE A 57 -12.059 -0.891 -4.117 1.00 0.47 N ATOM 908 CA PHE A 57 -10.745 -0.815 -3.558 1.00 0.41 C ATOM 909 C PHE A 57 -9.892 -0.070 -4.571 1.00 0.37 C ATOM 910 O PHE A 57 -10.419 0.583 -5.470 1.00 0.37 O ATOM 911 CB PHE A 57 -10.204 -2.228 -3.250 1.00 0.38 C ATOM 912 CG PHE A 57 -8.845 -2.254 -2.593 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.632 -1.603 -1.387 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.784 -2.927 -3.179 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.390 -1.624 -0.782 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.543 -2.950 -2.579 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.340 -2.304 -1.388 1.00 0.35 C ATOM 0 H PHE A 57 -12.113 -1.470 -4.955 1.00 0.47 H new ATOM 0 HA PHE A 57 -10.737 -0.285 -2.606 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.915 -2.741 -2.603 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.154 -2.794 -4.180 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.447 -1.073 -0.915 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.932 -3.440 -4.118 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.236 -1.114 0.158 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.728 -3.479 -3.050 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.366 -2.323 -0.921 1.00 0.35 H new ATOM 927 N ILE A 58 -8.605 -0.169 -4.442 1.00 0.36 N ATOM 928 CA ILE A 58 -7.697 0.638 -5.201 1.00 0.36 C ATOM 929 C ILE A 58 -7.534 0.145 -6.642 1.00 0.30 C ATOM 930 O ILE A 58 -7.781 -1.020 -6.964 1.00 0.30 O ATOM 931 CB ILE A 58 -6.340 0.602 -4.525 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.467 0.938 -3.047 1.00 0.51 C ATOM 933 CG2 ILE A 58 -5.408 1.556 -5.184 1.00 0.97 C ATOM 934 CD1 ILE A 58 -6.766 2.396 -2.784 1.00 0.90 C ATOM 0 H ILE A 58 -8.150 -0.818 -3.801 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.105 1.648 -5.240 1.00 0.36 H new ATOM 0 HB ILE A 58 -5.939 -0.407 -4.620 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -7.258 0.329 -2.611 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.541 0.668 -2.540 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -4.438 1.519 -4.688 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -5.290 1.283 -6.233 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -5.812 2.566 -5.115 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -6.843 2.564 -1.710 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -5.963 3.011 -3.190 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -7.708 2.666 -3.262 1.00 0.90 H new ATOM 946 N GLN A 59 -7.060 1.057 -7.473 1.00 0.31 N ATOM 947 CA GLN A 59 -6.843 0.842 -8.889 1.00 0.30 C ATOM 948 C GLN A 59 -5.459 0.229 -9.049 1.00 0.27 C ATOM 949 O GLN A 59 -4.627 0.403 -8.170 1.00 0.29 O ATOM 950 CB GLN A 59 -6.973 2.177 -9.665 1.00 0.39 C ATOM 951 CG GLN A 59 -5.652 2.882 -9.982 1.00 0.56 C ATOM 952 CD GLN A 59 -4.953 3.497 -8.785 1.00 0.60 C ATOM 953 OE1 GLN A 59 -5.105 3.041 -7.669 1.00 1.35 O ATOM 954 NE2 GLN A 59 -4.150 4.527 -9.025 1.00 0.58 N ATOM 0 H GLN A 59 -6.808 1.997 -7.169 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.593 0.168 -9.302 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -7.496 1.984 -10.601 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.598 2.856 -9.085 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -4.977 2.165 -10.449 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -5.842 3.666 -10.715 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -4.047 4.883 -9.975 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.636 4.962 -8.259 1.00 0.58 H new ATOM 963 N GLY A 60 -5.237 -0.559 -10.089 1.00 0.32 N ATOM 964 CA GLY A 60 -3.935 -1.198 -10.273 1.00 0.38 C ATOM 965 C GLY A 60 -2.791 -0.218 -10.552 1.00 0.37 C ATOM 966 O GLY A 60 -2.049 -0.395 -11.518 1.00 0.55 O ATOM 0 H GLY A 60 -5.926 -0.772 -10.810 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -3.696 -1.774 -9.379 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.003 -1.905 -11.100 1.00 0.38 H new ATOM 970 N ASP A 61 -2.642 0.798 -9.699 1.00 0.40 N ATOM 971 CA ASP A 61 -1.572 1.787 -9.823 1.00 0.46 C ATOM 972 C ASP A 61 -1.128 2.279 -8.441 1.00 0.44 C ATOM 973 O ASP A 61 -0.057 1.912 -7.963 1.00 0.54 O ATOM 974 CB ASP A 61 -2.011 2.993 -10.666 1.00 0.55 C ATOM 975 CG ASP A 61 -2.231 2.667 -12.130 1.00 0.81 C ATOM 976 OD1 ASP A 61 -1.244 2.649 -12.894 1.00 1.06 O ATOM 977 OD2 ASP A 61 -3.396 2.447 -12.527 1.00 0.96 O ATOM 0 H ASP A 61 -3.260 0.957 -8.903 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.739 1.295 -10.324 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.934 3.398 -10.251 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.255 3.775 -10.587 1.00 0.55 H new ATOM 982 N SER A 62 -1.973 3.081 -7.787 1.00 0.40 N ATOM 983 CA SER A 62 -1.608 3.726 -6.520 1.00 0.46 C ATOM 984 C SER A 62 -2.779 3.718 -5.524 1.00 0.47 C ATOM 985 O SER A 62 -2.779 2.946 -4.566 1.00 0.70 O ATOM 986 CB SER A 62 -1.148 5.162 -6.786 1.00 0.53 C ATOM 987 OG SER A 62 -0.673 5.788 -5.610 1.00 0.80 O ATOM 0 H SER A 62 -2.914 3.300 -8.113 1.00 0.40 H new ATOM 0 HA SER A 62 -0.792 3.159 -6.073 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.360 5.158 -7.539 1.00 0.53 H new ATOM 0 HB3 SER A 62 -1.977 5.739 -7.196 1.00 0.53 H new ATOM 0 HG SER A 62 -0.976 6.720 -5.590 1.00 0.80 H new ATOM 993 N VAL A 63 -3.763 4.593 -5.747 1.00 0.38 N ATOM 994 CA VAL A 63 -4.997 4.618 -4.952 1.00 0.37 C ATOM 995 C VAL A 63 -6.170 5.068 -5.803 1.00 0.40 C ATOM 996 O VAL A 63 -6.003 5.815 -6.771 1.00 0.52 O ATOM 997 CB VAL A 63 -4.941 5.570 -3.747 1.00 0.53 C ATOM 998 CG1 VAL A 63 -3.946 5.112 -2.712 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.634 6.976 -4.199 1.00 0.78 C ATOM 0 H VAL A 63 -3.729 5.302 -6.480 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.115 3.597 -4.590 1.00 0.37 H new ATOM 0 HB VAL A 63 -5.924 5.560 -3.275 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -3.939 5.814 -1.878 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.226 4.122 -2.351 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -2.952 5.068 -3.157 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.598 7.637 -3.333 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.670 6.992 -4.708 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.411 7.316 -4.883 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.350 4.602 -5.441 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.574 5.156 -5.980 1.00 0.40 C ATOM 1011 C ARG A 64 -8.874 6.436 -5.208 1.00 0.40 C ATOM 1012 O ARG A 64 -8.369 6.604 -4.100 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.734 4.161 -5.843 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.177 3.918 -4.406 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.482 3.136 -4.338 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.511 3.695 -5.217 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.818 3.482 -5.075 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.277 2.759 -4.060 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.666 3.990 -5.959 1.00 2.05 N ATOM 0 H ARG A 64 -7.485 3.841 -4.776 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.456 5.366 -7.043 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.584 4.529 -6.417 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.438 3.210 -6.286 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.398 3.372 -3.874 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.300 4.874 -3.897 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.296 2.098 -4.614 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.847 3.132 -3.311 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.206 4.287 -5.990 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.627 2.362 -3.382 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.280 2.601 -3.959 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.316 4.541 -6.743 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.668 3.830 -5.855 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.696 7.344 -5.757 1.00 0.49 N ATOM 1034 CA PRO A 65 -10.045 8.598 -5.071 1.00 0.53 C ATOM 1035 C PRO A 65 -10.679 8.350 -3.704 1.00 0.44 C ATOM 1036 O PRO A 65 -10.772 9.251 -2.868 1.00 0.51 O ATOM 1037 CB PRO A 65 -11.061 9.260 -6.006 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.871 8.614 -7.334 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.334 7.235 -7.079 1.00 0.61 C ATOM 0 HA PRO A 65 -9.163 9.209 -4.880 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -12.079 9.116 -5.643 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.894 10.335 -6.067 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.814 8.566 -7.878 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.178 9.190 -7.948 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.130 6.490 -7.079 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.618 6.937 -7.845 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.102 7.113 -3.493 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.761 6.739 -2.267 1.00 0.32 C ATOM 1049 C GLY A 66 -10.808 6.460 -1.115 1.00 0.25 C ATOM 1050 O GLY A 66 -11.171 6.656 0.040 1.00 0.27 O ATOM 0 H GLY A 66 -10.996 6.352 -4.164 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.444 7.537 -1.975 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.367 5.851 -2.448 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.601 5.981 -1.400 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.666 5.661 -0.335 1.00 0.23 C ATOM 1056 C ILE A 67 -7.442 6.569 -0.370 1.00 0.24 C ATOM 1057 O ILE A 67 -6.844 6.786 -1.421 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.225 4.191 -0.430 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.470 3.307 -0.489 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.336 3.809 0.744 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.176 1.825 -0.525 1.00 0.34 C ATOM 0 H ILE A 67 -9.254 5.809 -2.344 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.182 5.823 0.611 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.636 4.047 -1.336 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.095 3.521 0.378 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.049 3.573 -1.373 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.039 2.764 0.651 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.447 4.440 0.748 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.884 3.949 1.676 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.113 1.269 -0.566 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.578 1.594 -1.407 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.625 1.541 0.372 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.092 7.097 0.791 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.919 7.945 0.940 1.00 0.29 C ATOM 1075 C LEU A 68 -4.782 7.122 1.522 1.00 0.28 C ATOM 1076 O LEU A 68 -5.007 6.283 2.393 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.229 9.129 1.863 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.458 9.957 1.481 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.646 11.103 2.460 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.340 10.481 0.058 1.00 0.44 C ATOM 0 H LEU A 68 -7.612 6.951 1.656 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.631 8.334 -0.037 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.367 8.751 2.876 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.361 9.788 1.884 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.335 9.311 1.529 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.524 11.684 2.176 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.784 10.704 3.465 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.765 11.745 2.442 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.226 11.066 -0.189 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.454 11.111 -0.026 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.255 9.642 -0.633 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.569 7.342 1.048 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.438 6.547 1.495 1.00 0.27 C ATOM 1094 C VAL A 69 -1.326 7.403 2.077 1.00 0.19 C ATOM 1095 O VAL A 69 -0.877 8.372 1.472 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.887 5.664 0.352 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.466 5.199 0.629 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.791 4.465 0.155 1.00 0.81 C ATOM 0 H VAL A 69 -3.342 8.059 0.359 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.809 5.901 2.290 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.865 6.267 -0.555 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -0.117 4.581 -0.199 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.186 6.066 0.735 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.447 4.616 1.550 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.401 3.844 -0.651 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.829 3.883 1.076 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.795 4.804 -0.102 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.889 7.038 3.265 1.00 0.18 N ATOM 1109 CA LEU A 70 0.276 7.656 3.853 1.00 0.16 C ATOM 1110 C LEU A 70 1.512 6.893 3.433 1.00 0.15 C ATOM 1111 O LEU A 70 1.635 5.703 3.710 1.00 0.19 O ATOM 1112 CB LEU A 70 0.186 7.676 5.380 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.917 8.553 5.970 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.819 8.552 7.484 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -0.831 9.973 5.427 1.00 0.90 C ATOM 0 H LEU A 70 -1.324 6.317 3.840 1.00 0.18 H new ATOM 0 HA LEU A 70 0.330 8.687 3.502 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.038 6.654 5.730 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.143 8.013 5.777 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.884 8.143 5.678 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.608 9.179 7.900 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.931 7.533 7.855 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.153 8.943 7.786 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.627 10.578 5.862 1.00 0.90 H new ATOM 0 HD22 LEU A 70 0.136 10.404 5.687 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -0.940 9.955 4.343 1.00 0.90 H new ATOM 1127 N ILE A 71 2.398 7.562 2.726 1.00 0.14 N ATOM 1128 CA ILE A 71 3.711 7.011 2.465 1.00 0.17 C ATOM 1129 C ILE A 71 4.593 7.353 3.636 1.00 0.20 C ATOM 1130 O ILE A 71 4.940 8.523 3.815 1.00 0.24 O ATOM 1131 CB ILE A 71 4.359 7.570 1.183 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.515 7.211 -0.047 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.788 7.040 1.048 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.446 5.731 -0.346 1.00 0.20 C ATOM 0 H ILE A 71 2.234 8.485 2.323 1.00 0.14 H new ATOM 0 HA ILE A 71 3.601 5.936 2.325 1.00 0.17 H new ATOM 0 HB ILE A 71 4.401 8.657 1.250 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.503 7.587 0.100 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.924 7.726 -0.916 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.240 7.439 0.140 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.375 7.351 1.912 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.769 5.951 0.996 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.830 5.567 -1.230 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.451 5.349 -0.528 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.007 5.208 0.504 1.00 0.20 H new ATOM 1146 N ASN A 72 4.880 6.350 4.461 1.00 0.22 N ATOM 1147 CA ASN A 72 5.714 6.519 5.644 1.00 0.28 C ATOM 1148 C ASN A 72 4.890 7.174 6.741 1.00 0.27 C ATOM 1149 O ASN A 72 4.687 6.588 7.806 1.00 0.31 O ATOM 1150 CB ASN A 72 6.966 7.332 5.307 1.00 0.41 C ATOM 1151 CG ASN A 72 8.158 6.986 6.164 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.040 6.713 7.361 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.312 6.952 5.529 1.00 1.33 N ATOM 0 H ASN A 72 4.540 5.398 4.327 1.00 0.22 H new ATOM 0 HA ASN A 72 6.054 5.547 6.001 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.223 7.171 4.260 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.742 8.393 5.421 1.00 0.41 H new ATOM 0 HD21 ASN A 72 10.162 6.691 6.029 1.00 1.33 H new ATOM 0 HD22 ASN A 72 9.356 7.187 4.537 1.00 1.33 H new ATOM 1160 N ASP A 73 4.405 8.375 6.445 1.00 0.26 N ATOM 1161 CA ASP A 73 3.435 9.082 7.281 1.00 0.29 C ATOM 1162 C ASP A 73 3.005 10.381 6.588 1.00 0.28 C ATOM 1163 O ASP A 73 2.566 11.332 7.230 1.00 0.36 O ATOM 1164 CB ASP A 73 4.029 9.393 8.661 1.00 0.36 C ATOM 1165 CG ASP A 73 2.994 9.891 9.651 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.135 9.091 10.085 1.00 1.03 O ATOM 1167 OD2 ASP A 73 3.024 11.090 9.996 1.00 0.65 O ATOM 0 H ASP A 73 4.676 8.893 5.609 1.00 0.26 H new ATOM 0 HA ASP A 73 2.564 8.442 7.421 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.502 8.495 9.058 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.812 10.144 8.553 1.00 0.36 H new ATOM 1172 N ALA A 74 3.100 10.407 5.264 1.00 0.27 N ATOM 1173 CA ALA A 74 2.845 11.632 4.514 1.00 0.29 C ATOM 1174 C ALA A 74 1.977 11.370 3.288 1.00 0.25 C ATOM 1175 O ALA A 74 1.728 10.217 2.933 1.00 0.20 O ATOM 1176 CB ALA A 74 4.159 12.269 4.102 1.00 0.33 C ATOM 0 H ALA A 74 3.350 9.601 4.691 1.00 0.27 H new ATOM 0 HA ALA A 74 2.299 12.317 5.164 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.961 13.183 3.542 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.742 12.507 4.991 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.719 11.575 3.476 1.00 0.33 H new ATOM 1182 N ASP A 75 1.531 12.444 2.643 1.00 0.30 N ATOM 1183 CA ASP A 75 0.665 12.345 1.469 1.00 0.29 C ATOM 1184 C ASP A 75 1.378 11.666 0.309 1.00 0.23 C ATOM 1185 O ASP A 75 2.304 12.220 -0.279 1.00 0.24 O ATOM 1186 CB ASP A 75 0.173 13.727 1.036 1.00 0.36 C ATOM 1187 CG ASP A 75 -0.898 14.284 1.951 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -0.562 14.719 3.073 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.080 14.294 1.546 1.00 0.61 O ATOM 0 H ASP A 75 1.756 13.401 2.915 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.193 11.735 1.751 1.00 0.29 H new ATOM 0 HB2 ASP A 75 1.017 14.416 1.011 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.219 13.666 0.021 1.00 0.36 H new ATOM 1194 N TRP A 76 0.921 10.464 -0.009 1.00 0.21 N ATOM 1195 CA TRP A 76 1.490 9.646 -1.072 1.00 0.17 C ATOM 1196 C TRP A 76 1.654 10.416 -2.381 1.00 0.16 C ATOM 1197 O TRP A 76 2.713 10.373 -3.007 1.00 0.14 O ATOM 1198 CB TRP A 76 0.596 8.415 -1.298 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.719 8.716 -1.973 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.108 8.272 -3.201 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.802 9.539 -1.491 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.344 8.767 -3.516 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.796 9.536 -2.482 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.032 10.272 -0.322 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -3.992 10.234 -2.347 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.219 10.963 -0.188 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.186 10.937 -1.195 1.00 0.34 C ATOM 0 H TRP A 76 0.135 10.023 0.469 1.00 0.21 H new ATOM 0 HA TRP A 76 2.487 9.340 -0.756 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.143 7.690 -1.901 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.397 7.944 -0.335 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.524 7.622 -3.835 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.848 8.590 -4.385 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.292 10.297 0.464 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.740 10.219 -3.126 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.403 11.533 0.711 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.107 11.485 -1.059 1.00 0.34 H new ATOM 1218 N GLU A 77 0.613 11.137 -2.768 1.00 0.19 N ATOM 1219 CA GLU A 77 0.542 11.751 -4.080 1.00 0.21 C ATOM 1220 C GLU A 77 1.640 12.791 -4.262 1.00 0.21 C ATOM 1221 O GLU A 77 2.272 12.865 -5.313 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.839 12.383 -4.273 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.248 13.302 -3.134 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.639 13.874 -3.302 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.011 14.235 -4.439 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.361 13.988 -2.290 1.00 0.74 O ATOM 0 H GLU A 77 -0.203 11.311 -2.181 1.00 0.19 H new ATOM 0 HA GLU A 77 0.694 10.980 -4.836 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.845 12.948 -5.205 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.581 11.591 -4.375 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.200 12.751 -2.195 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.532 14.120 -3.060 1.00 0.49 H new ATOM 1233 N LEU A 78 1.889 13.562 -3.212 1.00 0.24 N ATOM 1234 CA LEU A 78 2.867 14.639 -3.262 1.00 0.29 C ATOM 1235 C LEU A 78 4.280 14.084 -3.150 1.00 0.25 C ATOM 1236 O LEU A 78 5.255 14.783 -3.420 1.00 0.35 O ATOM 1237 CB LEU A 78 2.617 15.629 -2.122 1.00 0.47 C ATOM 1238 CG LEU A 78 1.183 16.150 -2.010 1.00 0.55 C ATOM 1239 CD1 LEU A 78 1.052 17.101 -0.834 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.760 16.840 -3.294 1.00 1.00 C ATOM 0 H LEU A 78 1.424 13.460 -2.310 1.00 0.24 H new ATOM 0 HA LEU A 78 2.763 15.152 -4.218 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.886 15.149 -1.181 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.286 16.480 -2.249 1.00 0.47 H new ATOM 0 HG LEU A 78 0.524 15.298 -1.844 1.00 0.55 H new ATOM 0 HD11 LEU A 78 0.025 17.461 -0.770 1.00 1.12 H new ATOM 0 HD12 LEU A 78 1.311 16.579 0.087 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.725 17.947 -0.973 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.263 17.203 -3.192 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.425 17.681 -3.491 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.814 16.133 -4.122 1.00 1.00 H new ATOM 1252 N LEU A 79 4.376 12.823 -2.752 1.00 0.20 N ATOM 1253 CA LEU A 79 5.665 12.203 -2.477 1.00 0.20 C ATOM 1254 C LEU A 79 6.141 11.312 -3.626 1.00 0.20 C ATOM 1255 O LEU A 79 7.343 11.184 -3.858 1.00 0.22 O ATOM 1256 CB LEU A 79 5.572 11.377 -1.190 1.00 0.22 C ATOM 1257 CG LEU A 79 6.006 12.087 0.095 1.00 0.38 C ATOM 1258 CD1 LEU A 79 5.124 13.288 0.386 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.981 11.115 1.263 1.00 0.75 C ATOM 0 H LEU A 79 3.575 12.208 -2.612 1.00 0.20 H new ATOM 0 HA LEU A 79 6.395 13.004 -2.362 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.541 11.046 -1.068 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.182 10.482 -1.311 1.00 0.22 H new ATOM 0 HG LEU A 79 7.025 12.448 -0.045 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.458 13.771 1.305 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.189 13.996 -0.440 1.00 0.79 H new ATOM 0 HD13 LEU A 79 4.091 12.961 0.503 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.291 11.630 2.172 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.970 10.728 1.393 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.663 10.289 1.063 1.00 0.75 H new ATOM 1271 N GLY A 80 5.211 10.713 -4.356 1.00 0.20 N ATOM 1272 CA GLY A 80 5.599 9.822 -5.438 1.00 0.22 C ATOM 1273 C GLY A 80 4.682 8.621 -5.565 1.00 0.19 C ATOM 1274 O GLY A 80 4.607 8.006 -6.632 1.00 0.22 O ATOM 0 H GLY A 80 4.206 10.824 -4.224 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.598 10.376 -6.377 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.620 9.478 -5.272 1.00 0.22 H new ATOM 1278 N GLU A 81 3.997 8.294 -4.463 1.00 0.17 N ATOM 1279 CA GLU A 81 2.964 7.248 -4.409 1.00 0.20 C ATOM 1280 C GLU A 81 3.349 5.949 -5.143 1.00 0.16 C ATOM 1281 O GLU A 81 4.373 5.347 -4.826 1.00 0.17 O ATOM 1282 CB GLU A 81 1.606 7.796 -4.887 1.00 0.33 C ATOM 1283 CG GLU A 81 1.654 8.618 -6.161 1.00 0.48 C ATOM 1284 CD GLU A 81 0.276 8.900 -6.725 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.368 9.873 -6.277 1.00 0.41 O ATOM 1286 OE2 GLU A 81 -0.168 8.162 -7.625 1.00 0.58 O ATOM 0 H GLU A 81 4.146 8.756 -3.566 1.00 0.17 H new ATOM 0 HA GLU A 81 2.874 6.963 -3.361 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.927 6.957 -5.040 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.180 8.410 -4.093 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.161 9.562 -5.961 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.247 8.090 -6.908 1.00 0.48 H new ATOM 1293 N LEU A 82 2.514 5.538 -6.108 1.00 0.16 N ATOM 1294 CA LEU A 82 2.608 4.234 -6.784 1.00 0.18 C ATOM 1295 C LEU A 82 4.049 3.794 -7.075 1.00 0.16 C ATOM 1296 O LEU A 82 4.472 2.719 -6.649 1.00 0.20 O ATOM 1297 CB LEU A 82 1.806 4.242 -8.102 1.00 0.24 C ATOM 1298 CG LEU A 82 2.364 5.076 -9.265 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.527 4.860 -10.517 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.401 6.547 -8.906 1.00 1.19 C ATOM 0 H LEU A 82 1.741 6.111 -6.447 1.00 0.16 H new ATOM 0 HA LEU A 82 2.184 3.512 -6.086 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.709 3.211 -8.443 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.801 4.601 -7.882 1.00 0.24 H new ATOM 0 HG LEU A 82 3.385 4.747 -9.462 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.933 5.457 -11.334 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.549 3.806 -10.792 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.498 5.163 -10.323 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.800 7.116 -9.745 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.392 6.892 -8.680 1.00 1.19 H new ATOM 0 HD23 LEU A 82 3.038 6.693 -8.033 1.00 1.19 H new ATOM 1312 N ASP A 83 4.815 4.631 -7.759 1.00 0.20 N ATOM 1313 CA ASP A 83 6.158 4.250 -8.171 1.00 0.24 C ATOM 1314 C ASP A 83 7.168 4.762 -7.161 1.00 0.26 C ATOM 1315 O ASP A 83 7.858 5.753 -7.391 1.00 0.56 O ATOM 1316 CB ASP A 83 6.480 4.772 -9.577 1.00 0.34 C ATOM 1317 CG ASP A 83 7.766 4.185 -10.139 1.00 1.21 C ATOM 1318 OD1 ASP A 83 7.726 3.070 -10.698 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.828 4.835 -10.019 1.00 2.00 O ATOM 0 H ASP A 83 4.533 5.571 -8.039 1.00 0.20 H new ATOM 0 HA ASP A 83 6.213 3.162 -8.208 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.654 4.534 -10.247 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.564 5.858 -9.547 1.00 0.34 H new ATOM 1324 N TYR A 84 7.176 4.123 -6.009 1.00 0.21 N ATOM 1325 CA TYR A 84 8.092 4.448 -4.952 1.00 0.19 C ATOM 1326 C TYR A 84 9.112 3.341 -4.778 1.00 0.21 C ATOM 1327 O TYR A 84 8.756 2.228 -4.412 1.00 0.33 O ATOM 1328 CB TYR A 84 7.334 4.647 -3.644 1.00 0.19 C ATOM 1329 CG TYR A 84 7.495 6.023 -3.064 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.754 6.561 -2.833 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.388 6.787 -2.751 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.900 7.826 -2.304 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.519 8.049 -2.224 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.815 8.555 -1.984 1.00 0.25 C ATOM 1335 OH TYR A 84 7.884 9.835 -1.484 1.00 0.30 O ATOM 0 H TYR A 84 6.539 3.358 -5.785 1.00 0.21 H new ATOM 0 HA TYR A 84 8.608 5.371 -5.216 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.275 4.454 -3.814 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.679 3.912 -2.917 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.632 5.980 -3.071 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.401 6.385 -2.924 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.888 8.233 -2.146 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.646 8.643 -1.997 1.00 0.21 H new ATOM 0 HH TYR A 84 8.686 10.279 -1.830 1.00 0.30 H new ATOM 1345 N GLN A 85 10.376 3.666 -4.996 1.00 0.27 N ATOM 1346 CA GLN A 85 11.482 2.743 -4.737 1.00 0.28 C ATOM 1347 C GLN A 85 11.705 2.565 -3.231 1.00 0.24 C ATOM 1348 O GLN A 85 12.770 2.127 -2.799 1.00 0.28 O ATOM 1349 CB GLN A 85 12.780 3.229 -5.416 1.00 0.40 C ATOM 1350 CG GLN A 85 12.960 4.748 -5.510 1.00 0.70 C ATOM 1351 CD GLN A 85 12.692 5.490 -4.213 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.488 6.032 -4.083 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 13.572 5.631 -3.368 1.00 0.74 N flip ATOM 0 H GLN A 85 10.669 4.574 -5.357 1.00 0.27 H new ATOM 0 HA GLN A 85 11.213 1.776 -5.163 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.629 2.815 -4.871 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.816 2.816 -6.424 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.979 4.962 -5.834 1.00 0.70 H new ATOM 0 HG3 GLN A 85 12.293 5.134 -6.281 1.00 0.70 H new ATOM 0 HE21 GLN A 85 14.485 5.198 -3.505 1.00 0.74 H new ATOM 0 HE22 GLN A 85 13.390 6.181 -2.529 1.00 0.74 H new ATOM 1362 N LEU A 86 10.657 2.870 -2.462 1.00 0.22 N ATOM 1363 CA LEU A 86 10.660 2.792 -0.995 1.00 0.24 C ATOM 1364 C LEU A 86 11.732 3.688 -0.358 1.00 0.30 C ATOM 1365 O LEU A 86 12.726 4.043 -0.985 1.00 0.34 O ATOM 1366 CB LEU A 86 10.818 1.337 -0.526 1.00 0.25 C ATOM 1367 CG LEU A 86 9.752 0.359 -1.035 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.373 1.005 -1.022 1.00 0.75 C ATOM 1369 CD2 LEU A 86 10.114 -0.154 -2.422 1.00 0.86 C ATOM 0 H LEU A 86 9.766 3.184 -2.846 1.00 0.22 H new ATOM 0 HA LEU A 86 9.694 3.167 -0.658 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.797 0.976 -0.842 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.809 1.322 0.564 1.00 0.25 H new ATOM 0 HG LEU A 86 9.720 -0.497 -0.361 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.634 0.292 -1.387 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.120 1.301 -0.004 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.377 1.885 -1.665 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.346 -0.846 -2.766 1.00 0.86 H new ATOM 0 HD22 LEU A 86 10.182 0.685 -3.114 1.00 0.86 H new ATOM 0 HD23 LEU A 86 11.074 -0.669 -2.380 1.00 0.86 H new ATOM 1381 N GLN A 87 11.506 4.086 0.885 1.00 0.39 N ATOM 1382 CA GLN A 87 12.464 4.925 1.591 1.00 0.51 C ATOM 1383 C GLN A 87 13.116 4.173 2.731 1.00 0.76 C ATOM 1384 O GLN A 87 14.315 3.894 2.673 1.00 1.74 O ATOM 1385 CB GLN A 87 11.790 6.213 2.072 1.00 0.46 C ATOM 1386 CG GLN A 87 11.176 7.008 0.932 1.00 0.86 C ATOM 1387 CD GLN A 87 9.658 6.940 0.887 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.971 7.780 1.468 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.126 5.944 0.189 1.00 0.48 N ATOM 0 H GLN A 87 10.674 3.844 1.423 1.00 0.39 H new ATOM 0 HA GLN A 87 13.258 5.201 0.898 1.00 0.51 H new ATOM 0 HB2 GLN A 87 11.015 5.965 2.797 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.523 6.832 2.589 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.482 8.050 1.022 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.575 6.639 -0.013 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.731 5.268 -0.278 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.112 5.854 0.120 1.00 0.48 H new ATOM 1398 N ASP A 88 12.327 3.875 3.753 1.00 0.43 N ATOM 1399 CA ASP A 88 12.708 2.974 4.838 1.00 0.40 C ATOM 1400 C ASP A 88 11.829 3.243 6.050 1.00 0.32 C ATOM 1401 O ASP A 88 11.578 4.402 6.383 1.00 0.36 O ATOM 1402 CB ASP A 88 14.178 3.085 5.264 1.00 0.56 C ATOM 1403 CG ASP A 88 14.503 2.201 6.462 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.013 1.053 6.516 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.234 2.665 7.371 1.00 1.53 O ATOM 0 H ASP A 88 11.387 4.258 3.856 1.00 0.43 H new ATOM 0 HA ASP A 88 12.569 1.964 4.451 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.818 2.808 4.427 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.405 4.123 5.509 1.00 0.56 H new ATOM 1410 N GLN A 89 11.368 2.175 6.699 1.00 0.31 N ATOM 1411 CA GLN A 89 10.439 2.276 7.826 1.00 0.34 C ATOM 1412 C GLN A 89 9.134 2.886 7.341 1.00 0.34 C ATOM 1413 O GLN A 89 8.336 3.411 8.116 1.00 0.42 O ATOM 1414 CB GLN A 89 11.032 3.101 8.975 1.00 0.40 C ATOM 1415 CG GLN A 89 12.344 2.552 9.519 1.00 0.62 C ATOM 1416 CD GLN A 89 12.268 1.078 9.871 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.874 0.713 10.978 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.667 0.223 8.942 1.00 0.71 N ATOM 0 H GLN A 89 11.626 1.218 6.460 1.00 0.31 H new ATOM 0 HA GLN A 89 10.252 1.276 8.217 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.193 4.122 8.630 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.306 3.149 9.786 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.130 2.703 8.779 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.628 3.118 10.406 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.987 0.566 8.036 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.655 -0.779 9.132 1.00 0.71 H new ATOM 1427 N ASP A 90 8.938 2.773 6.040 1.00 0.30 N ATOM 1428 CA ASP A 90 7.796 3.327 5.352 1.00 0.34 C ATOM 1429 C ASP A 90 6.506 2.748 5.892 1.00 0.32 C ATOM 1430 O ASP A 90 6.220 1.578 5.673 1.00 0.45 O ATOM 1431 CB ASP A 90 7.905 2.982 3.867 1.00 0.45 C ATOM 1432 CG ASP A 90 8.967 3.770 3.127 1.00 0.75 C ATOM 1433 OD1 ASP A 90 9.701 4.545 3.769 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.085 3.594 1.898 1.00 1.06 O ATOM 0 H ASP A 90 9.585 2.282 5.423 1.00 0.30 H new ATOM 0 HA ASP A 90 7.785 4.407 5.502 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.121 1.918 3.767 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.940 3.158 3.392 1.00 0.45 H new ATOM 1439 N SER A 91 5.725 3.540 6.602 1.00 0.23 N ATOM 1440 CA SER A 91 4.432 3.069 7.030 1.00 0.21 C ATOM 1441 C SER A 91 3.417 3.433 5.967 1.00 0.17 C ATOM 1442 O SER A 91 2.923 4.557 5.923 1.00 0.17 O ATOM 1443 CB SER A 91 4.046 3.682 8.372 1.00 0.25 C ATOM 1444 OG SER A 91 2.912 3.040 8.925 1.00 1.14 O ATOM 0 H SER A 91 5.960 4.491 6.887 1.00 0.23 H new ATOM 0 HA SER A 91 4.461 1.988 7.163 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.884 3.604 9.064 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.838 4.744 8.242 1.00 0.25 H new ATOM 0 HG SER A 91 2.689 3.453 9.785 1.00 1.14 H new ATOM 1450 N ILE A 92 3.145 2.485 5.090 1.00 0.17 N ATOM 1451 CA ILE A 92 2.225 2.706 3.994 1.00 0.15 C ATOM 1452 C ILE A 92 0.835 2.300 4.441 1.00 0.14 C ATOM 1453 O ILE A 92 0.533 1.117 4.600 1.00 0.17 O ATOM 1454 CB ILE A 92 2.628 1.911 2.729 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.141 2.025 2.467 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.841 2.398 1.520 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.657 3.448 2.373 1.00 0.21 C ATOM 0 H ILE A 92 3.552 1.550 5.117 1.00 0.17 H new ATOM 0 HA ILE A 92 2.249 3.763 3.729 1.00 0.15 H new ATOM 0 HB ILE A 92 2.390 0.861 2.899 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.675 1.510 3.266 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.377 1.504 1.539 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.137 1.828 0.639 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.775 2.260 1.700 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.047 3.455 1.354 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.731 3.434 2.187 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.154 3.964 1.555 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.457 3.970 3.309 1.00 0.21 H new ATOM 1469 N LEU A 93 0.005 3.292 4.661 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.295 3.076 5.253 1.00 0.14 C ATOM 1471 C LEU A 93 -2.389 3.439 4.260 1.00 0.14 C ATOM 1472 O LEU A 93 -2.378 4.530 3.691 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.415 3.929 6.520 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.261 3.320 7.638 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.489 4.319 8.752 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.584 2.831 7.099 1.00 0.56 C ATOM 0 H LEU A 93 0.209 4.266 4.437 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.409 2.024 5.515 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.414 4.119 6.907 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.841 4.895 6.249 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.713 2.470 8.046 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.094 3.860 9.534 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.529 4.625 9.168 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.009 5.192 8.357 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -4.171 2.401 7.911 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.129 3.666 6.660 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.408 2.072 6.337 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.325 2.522 4.051 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.463 2.786 3.183 1.00 0.14 C ATOM 1490 C PHE A 94 -5.682 3.162 4.022 1.00 0.13 C ATOM 1491 O PHE A 94 -6.227 2.330 4.748 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.787 1.547 2.335 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.722 1.179 1.332 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.478 0.741 1.756 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.962 1.279 -0.030 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.496 0.406 0.843 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.983 0.945 -0.948 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.770 0.494 -0.527 1.00 0.33 C ATOM 0 H PHE A 94 -3.318 1.592 4.470 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.209 3.614 2.521 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.950 0.699 3.001 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.723 1.720 1.805 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.273 0.660 2.813 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.925 1.622 -0.378 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.525 0.079 1.184 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.182 1.043 -2.005 1.00 0.31 H new ATOM 0 HZ PHE A 94 -1.020 0.205 -1.248 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.131 4.400 3.894 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.269 4.885 4.661 1.00 0.17 C ATOM 1510 C ILE A 95 -8.420 5.226 3.731 1.00 0.18 C ATOM 1511 O ILE A 95 -8.376 6.231 3.022 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.937 6.141 5.507 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.755 5.895 6.452 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.157 6.581 6.306 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.401 6.092 5.806 1.00 1.16 C ATOM 0 H ILE A 95 -5.723 5.091 3.264 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.542 4.080 5.343 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.653 6.934 4.815 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.840 6.567 7.306 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.817 4.878 6.839 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.907 7.464 6.895 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.973 6.819 5.623 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.465 5.776 6.973 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.617 5.900 6.538 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.293 5.402 4.969 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.316 7.117 5.444 1.00 1.16 H new ATOM 1527 N SER A 96 -9.436 4.380 3.717 1.00 0.20 N ATOM 1528 CA SER A 96 -10.613 4.645 2.917 1.00 0.24 C ATOM 1529 C SER A 96 -11.361 5.846 3.484 1.00 0.28 C ATOM 1530 O SER A 96 -11.875 5.804 4.603 1.00 0.35 O ATOM 1531 CB SER A 96 -11.515 3.406 2.870 1.00 0.31 C ATOM 1532 OG SER A 96 -12.645 3.625 2.044 1.00 0.37 O ATOM 0 H SER A 96 -9.467 3.510 4.248 1.00 0.20 H new ATOM 0 HA SER A 96 -10.309 4.877 1.896 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.947 2.554 2.496 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.842 3.153 3.878 1.00 0.31 H new ATOM 0 HG SER A 96 -13.202 2.819 2.031 1.00 0.37 H new ATOM 1538 N THR A 97 -11.415 6.917 2.705 1.00 0.27 N ATOM 1539 CA THR A 97 -12.055 8.140 3.144 1.00 0.36 C ATOM 1540 C THR A 97 -13.496 8.182 2.646 1.00 0.48 C ATOM 1541 O THR A 97 -14.174 9.205 2.735 1.00 0.58 O ATOM 1542 CB THR A 97 -11.276 9.394 2.670 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.838 10.580 3.247 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.292 9.515 1.153 1.00 0.35 C ATOM 0 H THR A 97 -11.021 6.960 1.765 1.00 0.27 H new ATOM 0 HA THR A 97 -12.054 8.149 4.234 1.00 0.36 H new ATOM 0 HB THR A 97 -10.243 9.282 2.999 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.816 10.526 3.218 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.737 10.404 0.853 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.828 8.632 0.713 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.322 9.595 0.805 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.959 7.042 2.137 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.334 6.903 1.684 1.00 0.70 C ATOM 1554 C LEU A 98 -16.290 6.940 2.866 1.00 0.79 C ATOM 1555 O LEU A 98 -17.473 7.235 2.716 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.510 5.591 0.920 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.712 5.484 -0.379 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.923 4.123 -1.018 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.115 6.591 -1.339 1.00 1.09 C ATOM 0 H LEU A 98 -13.395 6.199 2.029 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.562 7.736 1.019 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -15.223 4.767 1.573 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.568 5.462 0.690 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.653 5.596 -0.147 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -14.348 4.062 -1.942 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -14.591 3.344 -0.332 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.981 3.985 -1.239 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.538 6.502 -2.260 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.178 6.506 -1.567 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -14.919 7.560 -0.880 1.00 1.09 H new ATOM 1571 N HIS A 99 -15.765 6.636 4.044 1.00 1.41 N ATOM 1572 CA HIS A 99 -16.564 6.647 5.259 1.00 1.74 C ATOM 1573 C HIS A 99 -15.709 7.089 6.440 1.00 2.61 C ATOM 1574 O HIS A 99 -16.155 7.857 7.291 1.00 3.47 O ATOM 1575 CB HIS A 99 -17.159 5.261 5.524 1.00 2.60 C ATOM 1576 CG HIS A 99 -18.183 5.243 6.617 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -17.957 4.678 7.849 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -19.450 5.718 6.650 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -19.039 4.801 8.593 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -19.959 5.431 7.890 1.00 4.93 N ATOM 0 H HIS A 99 -14.788 6.378 4.184 1.00 1.41 H new ATOM 0 HA HIS A 99 -17.384 7.354 5.131 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -17.614 4.889 4.606 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -16.354 4.573 5.782 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -19.964 6.228 5.849 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -19.152 4.446 9.607 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -20.897 5.666 8.216 1.00 4.93 H new ATOM 1589 N GLY A 100 -14.472 6.602 6.480 1.00 3.03 N ATOM 1590 CA GLY A 100 -13.557 6.971 7.544 1.00 4.27 C ATOM 1591 C GLY A 100 -13.748 6.118 8.779 1.00 4.88 C ATOM 1592 O GLY A 100 -12.960 5.210 9.043 1.00 5.56 O ATOM 0 H GLY A 100 -14.087 5.956 5.791 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -12.531 6.871 7.190 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -13.705 8.020 7.802 1.00 4.27 H new ATOM 1596 N GLY A 101 -14.807 6.400 9.523 1.00 5.05 N ATOM 1597 CA GLY A 101 -15.092 5.657 10.730 1.00 6.01 C ATOM 1598 C GLY A 101 -16.561 5.709 11.074 1.00 6.44 C ATOM 1599 O GLY A 101 -17.214 6.716 10.731 1.00 6.66 O ATOM 1600 OXT GLY A 101 -17.075 4.751 11.680 1.00 6.91 O ATOM 0 H GLY A 101 -15.479 7.137 9.309 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -14.783 4.620 10.602 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -14.509 6.064 11.556 1.00 6.01 H new TER 1604 GLY A 101