USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 793 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 88 THR OG1 : rot 180:sc= -1.23! USER MOD Set 1.2: A 90 GLN : amide:sc= -0.436 K(o=-1.7,f=-6.7!) USER MOD Set 2.1: A 47 MET CE :methyl -110:sc= -2.54 (180deg=-3.4) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -16.2! C(o=-19!,f=-33!) USER MOD Set 2.3: A 79 THR OG1 : rot 102:sc= -0.431! USER MOD Set 3.1: A 8 LYS NZ :NH3+ 156:sc= 0.144 (180deg=0) USER MOD Set 3.2: A 33 GLN : amide:sc= -3.12! C(o=-3!,f=-7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -160:sc= 0.813 USER MOD Single : A 27 GLN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 28 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.4) USER MOD Single : A 44 MET CE :methyl -154:sc= -2.29! (180deg=-2.83!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.566 K(o=-0.57,f=-3.9!) USER MOD Single : A 50 ASN : amide:sc= -5.2! C(o=-5.2!,f=-9.5!) USER MOD Single : A 53 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.9) USER MOD Single : A 57 SER OG : rot 180:sc= -0.418 USER MOD Single : A 60 ASN : amide:sc= -1.77! C(o=-1.8!,f=-1.6!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -125:sc= -1.74! (180deg=-3.13!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.341 F(o=-1.1,f=-0.34) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.84! C(o=-2.8!,f=-3.9!) USER MOD Single : A 106 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 6 5.778 12.947 7.493 1.00 0.00 N ATOM 74 CA LYS A 6 6.318 11.947 6.588 1.00 0.00 C ATOM 75 C LYS A 6 5.456 10.686 6.655 1.00 0.00 C ATOM 76 O LYS A 6 5.941 9.583 6.411 1.00 0.00 O ATOM 77 CB LYS A 6 7.797 11.697 6.887 1.00 0.00 C ATOM 78 CG LYS A 6 7.964 10.795 8.112 1.00 0.00 C ATOM 79 CD LYS A 6 9.444 10.565 8.427 1.00 0.00 C ATOM 80 CE LYS A 6 9.890 9.171 7.980 1.00 0.00 C ATOM 81 NZ LYS A 6 10.039 8.275 9.149 1.00 0.00 N ATOM 0 HA LYS A 6 6.280 12.305 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.273 11.234 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.303 12.647 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.472 11.249 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.474 9.838 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.048 11.322 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.614 10.679 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.160 8.754 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.837 9.240 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.342 7.333 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.752 8.666 9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.128 8.195 9.644 1.00 0.00 H new ATOM 95 N ILE A 7 4.189 10.890 6.986 1.00 0.00 N ATOM 96 CA ILE A 7 3.254 9.783 7.088 1.00 0.00 C ATOM 97 C ILE A 7 2.084 10.019 6.131 1.00 0.00 C ATOM 98 O ILE A 7 1.081 10.623 6.508 1.00 0.00 O ATOM 99 CB ILE A 7 2.826 9.575 8.542 1.00 0.00 C ATOM 100 CG1 ILE A 7 1.816 8.432 8.659 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.292 10.875 9.148 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.524 7.076 8.685 1.00 0.00 C ATOM 0 H ILE A 7 3.788 11.806 7.187 1.00 0.00 H new ATOM 0 HA ILE A 7 3.732 8.852 6.784 1.00 0.00 H new ATOM 0 HB ILE A 7 3.705 9.288 9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.225 8.555 9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.122 8.468 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.995 10.699 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.071 11.637 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.429 11.216 8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.784 6.280 8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.094 6.946 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.199 7.034 9.540 1.00 0.00 H new ATOM 114 N LYS A 8 2.252 9.532 4.910 1.00 0.00 N ATOM 115 CA LYS A 8 1.222 9.682 3.897 1.00 0.00 C ATOM 116 C LYS A 8 0.850 8.303 3.346 1.00 0.00 C ATOM 117 O LYS A 8 1.723 7.470 3.107 1.00 0.00 O ATOM 118 CB LYS A 8 1.671 10.674 2.820 1.00 0.00 C ATOM 119 CG LYS A 8 0.790 11.924 2.828 1.00 0.00 C ATOM 120 CD LYS A 8 1.564 13.143 2.320 1.00 0.00 C ATOM 121 CE LYS A 8 0.771 13.887 1.243 1.00 0.00 C ATOM 122 NZ LYS A 8 1.014 15.344 1.334 1.00 0.00 N ATOM 0 H LYS A 8 3.086 9.033 4.600 1.00 0.00 H new ATOM 0 HA LYS A 8 0.317 10.106 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.710 10.956 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.626 10.198 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.087 11.759 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.430 12.113 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.775 13.816 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.525 12.825 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.059 13.525 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.293 13.682 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.828 15.785 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.382 15.757 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.003 15.515 1.606 1.00 0.00 H new ATOM 136 N VAL A 9 -0.447 8.107 3.159 1.00 0.00 N ATOM 137 CA VAL A 9 -0.946 6.844 2.641 1.00 0.00 C ATOM 138 C VAL A 9 -1.296 7.008 1.161 1.00 0.00 C ATOM 139 O VAL A 9 -2.050 7.909 0.795 1.00 0.00 O ATOM 140 CB VAL A 9 -2.126 6.361 3.486 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.495 4.919 3.138 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.826 6.506 4.979 1.00 0.00 C ATOM 0 H VAL A 9 -1.167 8.801 3.357 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.179 6.073 2.710 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.985 6.991 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.337 4.600 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.771 4.858 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.641 4.269 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.681 6.156 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.948 5.912 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.635 7.554 5.212 1.00 0.00 H new ATOM 152 N LEU A 10 -0.734 6.125 0.350 1.00 0.00 N ATOM 153 CA LEU A 10 -0.978 6.160 -1.081 1.00 0.00 C ATOM 154 C LEU A 10 -1.861 4.973 -1.474 1.00 0.00 C ATOM 155 O LEU A 10 -1.461 3.820 -1.319 1.00 0.00 O ATOM 156 CB LEU A 10 0.343 6.225 -1.849 1.00 0.00 C ATOM 157 CG LEU A 10 0.328 5.635 -3.260 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.938 4.231 -3.275 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.085 5.650 -3.847 1.00 0.00 C ATOM 0 H LEU A 10 -0.109 5.380 0.657 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.522 7.065 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.650 7.269 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.104 5.705 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 10 0.949 6.264 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.915 3.835 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.970 4.279 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.364 3.578 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.067 5.225 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.748 5.059 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.448 6.677 -3.894 1.00 0.00 H new ATOM 171 N ILE A 11 -3.044 5.296 -1.974 1.00 0.00 N ATOM 172 CA ILE A 11 -3.985 4.270 -2.389 1.00 0.00 C ATOM 173 C ILE A 11 -4.601 4.662 -3.734 1.00 0.00 C ATOM 174 O ILE A 11 -5.369 5.619 -3.813 1.00 0.00 O ATOM 175 CB ILE A 11 -5.021 4.016 -1.291 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.055 5.142 -1.241 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.341 3.801 0.063 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.062 4.912 -0.113 1.00 0.00 C ATOM 0 H ILE A 11 -3.373 6.253 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.471 3.320 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.557 3.098 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.551 6.097 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.579 5.202 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.098 3.623 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.676 2.939 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.764 4.688 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.786 5.727 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.582 3.968 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.537 4.877 0.842 1.00 0.00 H new ATOM 190 N VAL A 12 -4.238 3.904 -4.759 1.00 0.00 N ATOM 191 CA VAL A 12 -4.745 4.162 -6.096 1.00 0.00 C ATOM 192 C VAL A 12 -5.224 2.847 -6.716 1.00 0.00 C ATOM 193 O VAL A 12 -4.519 1.840 -6.666 1.00 0.00 O ATOM 194 CB VAL A 12 -3.676 4.864 -6.934 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.415 4.004 -7.048 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.217 5.230 -8.318 1.00 0.00 C ATOM 0 H VAL A 12 -3.599 3.112 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.602 4.835 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.405 5.789 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.671 4.527 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.011 3.817 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.664 3.055 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.437 5.728 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.529 4.324 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.071 5.899 -8.210 1.00 0.00 H new ATOM 206 N ASP A 13 -6.418 2.899 -7.288 1.00 0.00 N ATOM 207 CA ASP A 13 -6.999 1.726 -7.917 1.00 0.00 C ATOM 208 C ASP A 13 -7.664 2.134 -9.233 1.00 0.00 C ATOM 209 O ASP A 13 -8.222 3.226 -9.337 1.00 0.00 O ATOM 210 CB ASP A 13 -8.066 1.093 -7.023 1.00 0.00 C ATOM 211 CG ASP A 13 -7.577 0.656 -5.641 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.204 1.557 -4.860 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.588 -0.570 -5.397 1.00 0.00 O ATOM 0 H ASP A 13 -6.999 3.736 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.200 1.005 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.880 1.806 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.480 0.225 -7.536 1.00 0.00 H new ATOM 218 N ASP A 14 -7.585 1.237 -10.203 1.00 0.00 N ATOM 219 CA ASP A 14 -8.173 1.491 -11.508 1.00 0.00 C ATOM 220 C ASP A 14 -9.667 1.777 -11.342 1.00 0.00 C ATOM 221 O ASP A 14 -10.235 2.574 -12.086 1.00 0.00 O ATOM 222 CB ASP A 14 -8.023 0.275 -12.425 1.00 0.00 C ATOM 223 CG ASP A 14 -7.877 0.603 -13.913 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.284 1.663 -14.205 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.362 -0.216 -14.724 1.00 0.00 O ATOM 0 H ASP A 14 -7.123 0.332 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.657 2.343 -11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.151 -0.296 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.892 -0.370 -12.294 1.00 0.00 H new ATOM 230 N GLN A 15 -10.258 1.111 -10.361 1.00 0.00 N ATOM 231 CA GLN A 15 -11.675 1.285 -10.088 1.00 0.00 C ATOM 232 C GLN A 15 -11.873 2.116 -8.820 1.00 0.00 C ATOM 233 O GLN A 15 -11.104 1.996 -7.868 1.00 0.00 O ATOM 234 CB GLN A 15 -12.380 -0.068 -9.973 1.00 0.00 C ATOM 235 CG GLN A 15 -13.679 -0.080 -10.782 1.00 0.00 C ATOM 236 CD GLN A 15 -14.740 -0.949 -10.102 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.444 -1.916 -9.420 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.989 -0.551 -10.325 1.00 0.00 N ATOM 0 H GLN A 15 -9.782 0.451 -9.746 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.123 1.822 -10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.719 -0.858 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.597 -0.281 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.053 0.938 -10.891 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.483 -0.457 -11.786 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.167 0.268 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.769 -1.065 -9.915 1.00 0.00 H new ATOM 247 N VAL A 16 -12.910 2.941 -8.847 1.00 0.00 N ATOM 248 CA VAL A 16 -13.219 3.792 -7.711 1.00 0.00 C ATOM 249 C VAL A 16 -13.724 2.928 -6.554 1.00 0.00 C ATOM 250 O VAL A 16 -13.362 3.157 -5.401 1.00 0.00 O ATOM 251 CB VAL A 16 -14.216 4.878 -8.126 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.033 5.359 -6.926 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.502 6.047 -8.808 1.00 0.00 C ATOM 0 H VAL A 16 -13.547 3.038 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.323 4.307 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.906 4.441 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.733 6.130 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.586 4.520 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.363 5.770 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.233 6.804 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.778 6.483 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.986 5.688 -9.699 1.00 0.00 H new ATOM 263 N THR A 17 -14.552 1.955 -6.902 1.00 0.00 N ATOM 264 CA THR A 17 -15.110 1.055 -5.907 1.00 0.00 C ATOM 265 C THR A 17 -13.991 0.372 -5.118 1.00 0.00 C ATOM 266 O THR A 17 -14.129 0.131 -3.920 1.00 0.00 O ATOM 267 CB THR A 17 -16.035 0.071 -6.625 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.336 0.409 -6.152 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.832 -1.371 -6.157 1.00 0.00 C ATOM 0 H THR A 17 -14.850 1.770 -7.860 1.00 0.00 H new ATOM 0 HA THR A 17 -15.700 1.599 -5.169 1.00 0.00 H new ATOM 0 HB THR A 17 -15.865 0.131 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 17 -17.999 -0.180 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.513 -2.028 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.803 -1.675 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.035 -1.439 -5.088 1.00 0.00 H new ATOM 277 N SER A 18 -12.907 0.080 -5.822 1.00 0.00 N ATOM 278 CA SER A 18 -11.765 -0.569 -5.204 1.00 0.00 C ATOM 279 C SER A 18 -11.032 0.417 -4.291 1.00 0.00 C ATOM 280 O SER A 18 -10.880 0.168 -3.096 1.00 0.00 O ATOM 281 CB SER A 18 -10.809 -1.128 -6.259 1.00 0.00 C ATOM 282 OG SER A 18 -11.507 -1.664 -7.380 1.00 0.00 O ATOM 0 H SER A 18 -12.796 0.282 -6.816 1.00 0.00 H new ATOM 0 HA SER A 18 -12.130 -1.404 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.137 -0.338 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.190 -1.905 -5.812 1.00 0.00 H new ATOM 0 HG SER A 18 -10.917 -2.273 -7.872 1.00 0.00 H new ATOM 288 N ARG A 19 -10.596 1.515 -4.891 1.00 0.00 N ATOM 289 CA ARG A 19 -9.883 2.540 -4.148 1.00 0.00 C ATOM 290 C ARG A 19 -10.774 3.114 -3.045 1.00 0.00 C ATOM 291 O ARG A 19 -10.282 3.536 -1.999 1.00 0.00 O ATOM 292 CB ARG A 19 -9.431 3.674 -5.070 1.00 0.00 C ATOM 293 CG ARG A 19 -10.624 4.302 -5.794 1.00 0.00 C ATOM 294 CD ARG A 19 -11.337 5.316 -4.898 1.00 0.00 C ATOM 295 NE ARG A 19 -11.401 6.631 -5.572 1.00 0.00 N ATOM 296 CZ ARG A 19 -11.623 7.790 -4.939 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.803 7.804 -3.611 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.665 8.936 -5.632 1.00 0.00 N ATOM 0 H ARG A 19 -10.723 1.717 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.003 2.075 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.913 4.436 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.718 3.291 -5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.283 4.793 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.323 3.522 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.344 4.966 -4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.809 5.410 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.268 6.657 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.771 6.932 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.972 8.687 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.528 8.926 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.834 9.818 -5.149 1.00 0.00 H new ATOM 312 N LEU A 20 -12.072 3.111 -3.316 1.00 0.00 N ATOM 313 CA LEU A 20 -13.036 3.627 -2.359 1.00 0.00 C ATOM 314 C LEU A 20 -13.143 2.660 -1.177 1.00 0.00 C ATOM 315 O LEU A 20 -13.178 3.086 -0.024 1.00 0.00 O ATOM 316 CB LEU A 20 -14.374 3.907 -3.046 1.00 0.00 C ATOM 317 CG LEU A 20 -15.557 4.200 -2.119 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.453 5.294 -2.702 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.338 2.922 -1.809 1.00 0.00 C ATOM 0 H LEU A 20 -12.478 2.760 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.701 4.584 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.245 4.757 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.628 3.047 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.166 4.576 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.285 5.482 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.874 6.209 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.839 4.971 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.173 3.157 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.718 2.494 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.680 2.203 -1.320 1.00 0.00 H new ATOM 331 N LEU A 21 -13.192 1.377 -1.506 1.00 0.00 N ATOM 332 CA LEU A 21 -13.294 0.347 -0.487 1.00 0.00 C ATOM 333 C LEU A 21 -12.061 0.405 0.416 1.00 0.00 C ATOM 334 O LEU A 21 -12.183 0.565 1.630 1.00 0.00 O ATOM 335 CB LEU A 21 -13.521 -1.023 -1.130 1.00 0.00 C ATOM 336 CG LEU A 21 -14.932 -1.290 -1.657 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.920 -2.390 -2.722 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.893 -1.612 -0.512 1.00 0.00 C ATOM 0 H LEU A 21 -13.163 1.028 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.163 0.524 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.819 -1.136 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.277 -1.792 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.296 -0.381 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.935 -2.561 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.288 -2.083 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.528 -3.311 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.889 -1.798 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.544 -2.499 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.932 -0.769 0.178 1.00 0.00 H new ATOM 350 N LEU A 22 -10.901 0.274 -0.211 1.00 0.00 N ATOM 351 CA LEU A 22 -9.646 0.310 0.521 1.00 0.00 C ATOM 352 C LEU A 22 -9.553 1.623 1.301 1.00 0.00 C ATOM 353 O LEU A 22 -9.260 1.621 2.496 1.00 0.00 O ATOM 354 CB LEU A 22 -8.467 0.071 -0.424 1.00 0.00 C ATOM 355 CG LEU A 22 -8.507 0.831 -1.751 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.590 2.055 -1.710 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.175 -0.095 -2.924 1.00 0.00 C ATOM 0 H LEU A 22 -10.804 0.143 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.608 -0.498 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.548 0.339 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.411 -0.996 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.523 1.195 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.637 2.577 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.913 2.725 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.565 1.736 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.210 0.470 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.176 -0.509 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.902 -0.906 -2.964 1.00 0.00 H new ATOM 369 N GLY A 23 -9.808 2.714 0.593 1.00 0.00 N ATOM 370 CA GLY A 23 -9.755 4.032 1.203 1.00 0.00 C ATOM 371 C GLY A 23 -10.815 4.170 2.299 1.00 0.00 C ATOM 372 O GLY A 23 -10.622 4.910 3.262 1.00 0.00 O ATOM 0 H GLY A 23 -10.052 2.712 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.765 4.202 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.912 4.796 0.442 1.00 0.00 H new ATOM 376 N ASP A 24 -11.909 3.445 2.115 1.00 0.00 N ATOM 377 CA ASP A 24 -12.998 3.479 3.076 1.00 0.00 C ATOM 378 C ASP A 24 -12.610 2.659 4.309 1.00 0.00 C ATOM 379 O ASP A 24 -12.768 3.119 5.439 1.00 0.00 O ATOM 380 CB ASP A 24 -14.272 2.870 2.486 1.00 0.00 C ATOM 381 CG ASP A 24 -15.495 2.917 3.403 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.911 4.047 3.737 1.00 0.00 O ATOM 383 OD2 ASP A 24 -15.988 1.821 3.748 1.00 0.00 O ATOM 0 H ASP A 24 -12.064 2.831 1.315 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.184 4.520 3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.511 3.392 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.073 1.831 2.224 1.00 0.00 H new ATOM 388 N ALA A 25 -12.109 1.460 4.050 1.00 0.00 N ATOM 389 CA ALA A 25 -11.697 0.574 5.124 1.00 0.00 C ATOM 390 C ALA A 25 -10.612 1.259 5.958 1.00 0.00 C ATOM 391 O ALA A 25 -10.692 1.283 7.185 1.00 0.00 O ATOM 392 CB ALA A 25 -11.225 -0.758 4.534 1.00 0.00 C ATOM 0 H ALA A 25 -11.979 1.082 3.112 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.535 0.359 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.916 -1.424 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.041 -1.218 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.382 -0.582 3.865 1.00 0.00 H new ATOM 398 N LEU A 26 -9.625 1.798 5.259 1.00 0.00 N ATOM 399 CA LEU A 26 -8.526 2.482 5.919 1.00 0.00 C ATOM 400 C LEU A 26 -9.027 3.811 6.488 1.00 0.00 C ATOM 401 O LEU A 26 -8.466 4.327 7.454 1.00 0.00 O ATOM 402 CB LEU A 26 -7.336 2.629 4.968 1.00 0.00 C ATOM 403 CG LEU A 26 -6.270 1.535 5.054 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.862 0.165 4.718 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.067 1.872 4.169 1.00 0.00 C ATOM 0 H LEU A 26 -9.563 1.775 4.241 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.160 1.892 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.714 2.660 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.859 3.590 5.161 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.911 1.487 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.083 -0.595 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.660 -0.069 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.265 0.181 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.324 1.079 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.392 1.963 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.628 2.815 4.496 1.00 0.00 H new ATOM 417 N GLN A 27 -10.076 4.326 5.866 1.00 0.00 N ATOM 418 CA GLN A 27 -10.659 5.586 6.298 1.00 0.00 C ATOM 419 C GLN A 27 -11.163 5.470 7.738 1.00 0.00 C ATOM 420 O GLN A 27 -10.861 6.320 8.575 1.00 0.00 O ATOM 421 CB GLN A 27 -11.783 6.021 5.356 1.00 0.00 C ATOM 422 CG GLN A 27 -11.303 7.113 4.398 1.00 0.00 C ATOM 423 CD GLN A 27 -11.539 8.504 4.989 1.00 0.00 C ATOM 424 OE1 GLN A 27 -11.677 8.682 6.187 1.00 0.00 O ATOM 425 NE2 GLN A 27 -11.576 9.477 4.083 1.00 0.00 N ATOM 0 H GLN A 27 -10.538 3.894 5.066 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.886 6.353 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.138 5.162 4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.628 6.388 5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.242 6.978 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.828 7.024 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.453 9.258 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.727 10.442 4.377 1.00 0.00 H new ATOM 434 N GLN A 28 -11.923 4.413 7.982 1.00 0.00 N ATOM 435 CA GLN A 28 -12.472 4.175 9.307 1.00 0.00 C ATOM 436 C GLN A 28 -11.344 3.967 10.319 1.00 0.00 C ATOM 437 O GLN A 28 -11.577 3.988 11.526 1.00 0.00 O ATOM 438 CB GLN A 28 -13.428 2.982 9.298 1.00 0.00 C ATOM 439 CG GLN A 28 -14.770 3.350 9.936 1.00 0.00 C ATOM 440 CD GLN A 28 -15.754 3.870 8.886 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.791 3.414 7.754 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.546 4.844 9.321 1.00 0.00 N ATOM 0 H GLN A 28 -12.172 3.711 7.285 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.044 5.054 9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.588 2.647 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.980 2.148 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.192 2.476 10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.616 4.110 10.702 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.462 5.179 10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.238 5.257 8.695 1.00 0.00 H new ATOM 451 N LEU A 29 -10.146 3.769 9.789 1.00 0.00 N ATOM 452 CA LEU A 29 -8.981 3.555 10.632 1.00 0.00 C ATOM 453 C LEU A 29 -8.252 4.886 10.831 1.00 0.00 C ATOM 454 O LEU A 29 -7.386 5.000 11.698 1.00 0.00 O ATOM 455 CB LEU A 29 -8.097 2.449 10.054 1.00 0.00 C ATOM 456 CG LEU A 29 -6.595 2.741 10.018 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.973 2.586 11.407 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.892 1.869 8.976 1.00 0.00 C ATOM 0 H LEU A 29 -9.956 3.752 8.787 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.283 3.205 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.257 1.542 10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.431 2.238 9.038 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.456 3.779 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.905 2.799 11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.448 3.283 12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.122 1.566 11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.826 2.096 8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.038 0.818 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.311 2.071 7.990 1.00 0.00 H new ATOM 470 N GLY A 30 -8.626 5.858 10.013 1.00 0.00 N ATOM 471 CA GLY A 30 -8.017 7.175 10.089 1.00 0.00 C ATOM 472 C GLY A 30 -6.557 7.132 9.634 1.00 0.00 C ATOM 473 O GLY A 30 -5.715 7.853 10.167 1.00 0.00 O ATOM 0 H GLY A 30 -9.343 5.760 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.575 7.874 9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.072 7.546 11.112 1.00 0.00 H new ATOM 477 N PHE A 31 -6.301 6.279 8.653 1.00 0.00 N ATOM 478 CA PHE A 31 -4.957 6.132 8.121 1.00 0.00 C ATOM 479 C PHE A 31 -4.100 7.356 8.448 1.00 0.00 C ATOM 480 O PHE A 31 -3.642 7.514 9.579 1.00 0.00 O ATOM 481 CB PHE A 31 -5.089 6.009 6.602 1.00 0.00 C ATOM 482 CG PHE A 31 -6.079 6.996 5.980 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.371 7.022 6.405 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.668 7.848 5.004 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.290 7.938 5.828 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.586 8.764 4.427 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.879 8.790 4.852 1.00 0.00 C ATOM 0 H PHE A 31 -7.002 5.683 8.213 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.477 5.258 8.561 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.109 6.160 6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.401 4.994 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.698 6.346 7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.642 7.828 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.316 7.958 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.259 9.440 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.578 9.487 4.414 1.00 0.00 H new ATOM 497 N LYS A 32 -3.910 8.193 7.439 1.00 0.00 N ATOM 498 CA LYS A 32 -3.116 9.399 7.606 1.00 0.00 C ATOM 499 C LYS A 32 -3.393 10.351 6.440 1.00 0.00 C ATOM 500 O LYS A 32 -3.737 11.513 6.651 1.00 0.00 O ATOM 501 CB LYS A 32 -1.637 9.048 7.775 1.00 0.00 C ATOM 502 CG LYS A 32 -0.934 10.058 8.685 1.00 0.00 C ATOM 503 CD LYS A 32 -1.089 9.671 10.157 1.00 0.00 C ATOM 504 CE LYS A 32 -1.960 10.686 10.901 1.00 0.00 C ATOM 505 NZ LYS A 32 -1.758 10.568 12.363 1.00 0.00 N ATOM 0 H LYS A 32 -4.292 8.060 6.503 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.402 9.920 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.543 8.047 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.150 9.031 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.124 10.109 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.350 11.052 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.536 8.679 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.107 9.615 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.712 11.696 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.010 10.521 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.356 11.263 12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.016 9.609 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.759 10.748 12.591 1.00 0.00 H new ATOM 519 N GLN A 33 -3.231 9.824 5.235 1.00 0.00 N ATOM 520 CA GLN A 33 -3.459 10.612 4.036 1.00 0.00 C ATOM 521 C GLN A 33 -3.740 9.697 2.844 1.00 0.00 C ATOM 522 O GLN A 33 -2.940 8.816 2.530 1.00 0.00 O ATOM 523 CB GLN A 33 -2.270 11.533 3.752 1.00 0.00 C ATOM 524 CG GLN A 33 -2.626 12.992 4.040 1.00 0.00 C ATOM 525 CD GLN A 33 -2.015 13.924 2.991 1.00 0.00 C ATOM 526 OE1 GLN A 33 -1.107 14.693 3.259 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.562 13.810 1.784 1.00 0.00 N ATOM 0 H GLN A 33 -2.944 8.860 5.064 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.334 11.241 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.420 11.235 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.965 11.428 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.710 13.110 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.266 13.269 5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.320 13.145 1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.224 14.387 1.014 1.00 0.00 H new ATOM 536 N ILE A 34 -4.880 9.935 2.212 1.00 0.00 N ATOM 537 CA ILE A 34 -5.277 9.142 1.061 1.00 0.00 C ATOM 538 C ILE A 34 -4.852 9.862 -0.221 1.00 0.00 C ATOM 539 O ILE A 34 -5.403 10.909 -0.560 1.00 0.00 O ATOM 540 CB ILE A 34 -6.772 8.822 1.120 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.575 10.039 1.587 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.036 7.593 1.992 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.891 10.156 0.816 1.00 0.00 C ATOM 0 H ILE A 34 -5.541 10.666 2.475 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.768 8.178 1.069 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.109 8.580 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.781 9.956 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.985 10.945 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.106 7.388 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.511 6.733 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.679 7.782 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.442 11.028 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.681 10.264 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.489 9.259 0.979 1.00 0.00 H new ATOM 555 N THR A 35 -3.878 9.273 -0.897 1.00 0.00 N ATOM 556 CA THR A 35 -3.374 9.846 -2.134 1.00 0.00 C ATOM 557 C THR A 35 -3.479 8.831 -3.274 1.00 0.00 C ATOM 558 O THR A 35 -2.849 7.776 -3.231 1.00 0.00 O ATOM 559 CB THR A 35 -1.944 10.331 -1.881 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.087 11.728 -1.643 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.071 10.255 -3.136 1.00 0.00 C ATOM 0 H THR A 35 -3.424 8.405 -0.612 1.00 0.00 H new ATOM 0 HA THR A 35 -3.973 10.701 -2.447 1.00 0.00 H new ATOM 0 HB THR A 35 -1.494 9.735 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.207 12.122 -1.468 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.067 10.610 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.020 9.222 -3.481 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.504 10.878 -3.919 1.00 0.00 H new ATOM 569 N ALA A 36 -4.281 9.187 -4.267 1.00 0.00 N ATOM 570 CA ALA A 36 -4.478 8.321 -5.417 1.00 0.00 C ATOM 571 C ALA A 36 -4.172 9.102 -6.696 1.00 0.00 C ATOM 572 O ALA A 36 -4.511 10.279 -6.805 1.00 0.00 O ATOM 573 CB ALA A 36 -5.903 7.765 -5.399 1.00 0.00 C ATOM 0 H ALA A 36 -4.802 10.063 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.797 7.471 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.051 7.115 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.059 7.194 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.616 8.589 -5.439 1.00 0.00 H new ATOM 579 N ALA A 37 -3.536 8.415 -7.634 1.00 0.00 N ATOM 580 CA ALA A 37 -3.180 9.029 -8.901 1.00 0.00 C ATOM 581 C ALA A 37 -3.182 7.962 -9.998 1.00 0.00 C ATOM 582 O ALA A 37 -2.594 6.895 -9.832 1.00 0.00 O ATOM 583 CB ALA A 37 -1.826 9.727 -8.769 1.00 0.00 C ATOM 0 H ALA A 37 -3.258 7.438 -7.541 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.911 9.788 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.560 10.187 -9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.886 10.495 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.065 8.996 -8.494 1.00 0.00 H new ATOM 589 N GLY A 38 -3.851 8.288 -11.095 1.00 0.00 N ATOM 590 CA GLY A 38 -3.936 7.370 -12.219 1.00 0.00 C ATOM 591 C GLY A 38 -3.922 5.917 -11.743 1.00 0.00 C ATOM 592 O GLY A 38 -4.975 5.332 -11.492 1.00 0.00 O ATOM 0 H GLY A 38 -4.339 9.174 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.849 7.563 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.100 7.542 -12.898 1.00 0.00 H new ATOM 596 N ASP A 39 -2.718 5.375 -11.632 1.00 0.00 N ATOM 597 CA ASP A 39 -2.554 4.001 -11.191 1.00 0.00 C ATOM 598 C ASP A 39 -1.257 3.880 -10.389 1.00 0.00 C ATOM 599 O ASP A 39 -0.611 4.884 -10.090 1.00 0.00 O ATOM 600 CB ASP A 39 -2.463 3.046 -12.383 1.00 0.00 C ATOM 601 CG ASP A 39 -3.644 2.086 -12.534 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.164 1.656 -11.483 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.001 1.804 -13.699 1.00 0.00 O ATOM 0 H ASP A 39 -1.847 5.863 -11.840 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.419 3.737 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.374 3.635 -13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.548 2.461 -12.291 1.00 0.00 H new ATOM 608 N GLY A 40 -0.914 2.642 -10.063 1.00 0.00 N ATOM 609 CA GLY A 40 0.296 2.377 -9.301 1.00 0.00 C ATOM 610 C GLY A 40 1.446 3.269 -9.770 1.00 0.00 C ATOM 611 O GLY A 40 2.169 3.837 -8.953 1.00 0.00 O ATOM 0 H GLY A 40 -1.452 1.812 -10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.107 2.548 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.576 1.329 -9.410 1.00 0.00 H new ATOM 615 N GLU A 41 1.580 3.365 -11.085 1.00 0.00 N ATOM 616 CA GLU A 41 2.631 4.178 -11.672 1.00 0.00 C ATOM 617 C GLU A 41 2.378 5.659 -11.385 1.00 0.00 C ATOM 618 O GLU A 41 3.241 6.345 -10.838 1.00 0.00 O ATOM 619 CB GLU A 41 2.747 3.923 -13.177 1.00 0.00 C ATOM 620 CG GLU A 41 3.694 2.757 -13.464 1.00 0.00 C ATOM 621 CD GLU A 41 4.284 2.864 -14.871 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.937 3.848 -15.559 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.069 1.960 -15.229 1.00 0.00 O ATOM 0 H GLU A 41 0.978 2.893 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 41 3.580 3.896 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.762 3.706 -13.590 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.110 4.822 -13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.498 2.747 -12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.157 1.814 -13.362 1.00 0.00 H new ATOM 630 N GLN A 42 1.192 6.110 -11.767 1.00 0.00 N ATOM 631 CA GLN A 42 0.816 7.497 -11.558 1.00 0.00 C ATOM 632 C GLN A 42 0.852 7.838 -10.067 1.00 0.00 C ATOM 633 O GLN A 42 1.342 8.897 -9.680 1.00 0.00 O ATOM 634 CB GLN A 42 -0.563 7.787 -12.154 1.00 0.00 C ATOM 635 CG GLN A 42 -0.623 9.200 -12.737 1.00 0.00 C ATOM 636 CD GLN A 42 -1.631 9.277 -13.886 1.00 0.00 C ATOM 637 OE1 GLN A 42 -2.622 9.988 -13.830 1.00 0.00 O ATOM 638 NE2 GLN A 42 -1.325 8.508 -14.926 1.00 0.00 N ATOM 0 H GLN A 42 0.479 5.539 -12.220 1.00 0.00 H new ATOM 0 HA GLN A 42 1.538 8.130 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.787 7.059 -12.933 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.327 7.675 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.901 9.908 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.364 9.492 -13.095 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.480 7.937 -14.907 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.935 8.489 -15.743 1.00 0.00 H new ATOM 647 N GLY A 43 0.325 6.919 -9.270 1.00 0.00 N ATOM 648 CA GLY A 43 0.290 7.109 -7.830 1.00 0.00 C ATOM 649 C GLY A 43 1.687 6.960 -7.224 1.00 0.00 C ATOM 650 O GLY A 43 1.959 7.490 -6.147 1.00 0.00 O ATOM 0 H GLY A 43 -0.081 6.041 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.107 8.098 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.385 6.381 -7.380 1.00 0.00 H new ATOM 654 N MET A 44 2.535 6.239 -7.941 1.00 0.00 N ATOM 655 CA MET A 44 3.897 6.015 -7.487 1.00 0.00 C ATOM 656 C MET A 44 4.711 7.310 -7.537 1.00 0.00 C ATOM 657 O MET A 44 5.383 7.662 -6.569 1.00 0.00 O ATOM 658 CB MET A 44 4.563 4.959 -8.371 1.00 0.00 C ATOM 659 CG MET A 44 6.084 4.986 -8.208 1.00 0.00 C ATOM 660 SD MET A 44 6.517 4.772 -6.490 1.00 0.00 S ATOM 661 CE MET A 44 8.238 5.244 -6.542 1.00 0.00 C ATOM 0 H MET A 44 2.306 5.802 -8.834 1.00 0.00 H new ATOM 0 HA MET A 44 3.864 5.668 -6.454 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.184 3.971 -8.111 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.302 5.136 -9.414 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.536 4.196 -8.807 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.481 5.932 -8.577 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.774 4.757 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.670 4.938 -7.495 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.322 6.326 -6.436 1.00 0.00 H new ATOM 671 N LYS A 45 4.625 7.983 -8.675 1.00 0.00 N ATOM 672 CA LYS A 45 5.344 9.231 -8.864 1.00 0.00 C ATOM 673 C LYS A 45 4.706 10.319 -7.999 1.00 0.00 C ATOM 674 O LYS A 45 5.407 11.138 -7.407 1.00 0.00 O ATOM 675 CB LYS A 45 5.416 9.589 -10.350 1.00 0.00 C ATOM 676 CG LYS A 45 4.014 9.711 -10.953 1.00 0.00 C ATOM 677 CD LYS A 45 3.954 9.063 -12.337 1.00 0.00 C ATOM 678 CE LYS A 45 5.067 9.598 -13.241 1.00 0.00 C ATOM 679 NZ LYS A 45 4.676 10.898 -13.831 1.00 0.00 N ATOM 0 H LYS A 45 4.068 7.687 -9.476 1.00 0.00 H new ATOM 0 HA LYS A 45 6.378 9.128 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.953 10.529 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.981 8.825 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.288 9.236 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.737 10.762 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.047 7.981 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.984 9.260 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.986 9.714 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.276 8.880 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.442 11.247 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.811 10.777 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.499 11.585 -13.071 1.00 0.00 H new ATOM 693 N ILE A 46 3.382 10.293 -7.953 1.00 0.00 N ATOM 694 CA ILE A 46 2.641 11.267 -7.170 1.00 0.00 C ATOM 695 C ILE A 46 2.915 11.035 -5.683 1.00 0.00 C ATOM 696 O ILE A 46 2.946 11.981 -4.899 1.00 0.00 O ATOM 697 CB ILE A 46 1.156 11.229 -7.535 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.868 12.105 -8.756 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.286 11.615 -6.337 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.367 11.437 -10.040 1.00 0.00 C ATOM 0 H ILE A 46 2.803 9.613 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 46 2.977 12.278 -7.402 1.00 0.00 H new ATOM 0 HB ILE A 46 0.898 10.205 -7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.204 12.290 -8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.351 13.075 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.765 11.580 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.462 10.916 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.540 12.624 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.150 12.080 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.443 11.276 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.864 10.479 -10.171 1.00 0.00 H new ATOM 712 N MET A 47 3.106 9.769 -5.340 1.00 0.00 N ATOM 713 CA MET A 47 3.377 9.400 -3.961 1.00 0.00 C ATOM 714 C MET A 47 4.830 9.699 -3.588 1.00 0.00 C ATOM 715 O MET A 47 5.099 10.277 -2.537 1.00 0.00 O ATOM 716 CB MET A 47 3.095 7.909 -3.766 1.00 0.00 C ATOM 717 CG MET A 47 3.760 7.387 -2.490 1.00 0.00 C ATOM 718 SD MET A 47 3.802 5.604 -2.509 1.00 0.00 S ATOM 719 CE MET A 47 5.075 5.336 -3.731 1.00 0.00 C ATOM 0 H MET A 47 3.078 8.986 -5.993 1.00 0.00 H new ATOM 0 HA MET A 47 2.728 9.989 -3.313 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.019 7.743 -3.714 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.463 7.350 -4.627 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.773 7.782 -2.410 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.212 7.737 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.629 4.926 -4.637 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.562 6.283 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.813 4.635 -3.340 1.00 0.00 H new ATOM 729 N ALA A 48 5.729 9.291 -4.471 1.00 0.00 N ATOM 730 CA ALA A 48 7.149 9.508 -4.248 1.00 0.00 C ATOM 731 C ALA A 48 7.437 11.011 -4.246 1.00 0.00 C ATOM 732 O ALA A 48 8.177 11.503 -3.396 1.00 0.00 O ATOM 733 CB ALA A 48 7.953 8.762 -5.315 1.00 0.00 C ATOM 0 H ALA A 48 5.502 8.811 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 48 7.450 9.113 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.018 8.925 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.735 7.696 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.680 9.134 -6.303 1.00 0.00 H new ATOM 739 N GLN A 49 6.837 11.697 -5.206 1.00 0.00 N ATOM 740 CA GLN A 49 7.020 13.134 -5.326 1.00 0.00 C ATOM 741 C GLN A 49 6.745 13.817 -3.984 1.00 0.00 C ATOM 742 O GLN A 49 7.183 14.943 -3.756 1.00 0.00 O ATOM 743 CB GLN A 49 6.128 13.710 -6.427 1.00 0.00 C ATOM 744 CG GLN A 49 6.868 13.751 -7.766 1.00 0.00 C ATOM 745 CD GLN A 49 7.868 14.908 -7.806 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.459 15.285 -6.808 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.022 15.449 -9.011 1.00 0.00 N ATOM 0 H GLN A 49 6.223 11.285 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 49 8.056 13.327 -5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.227 13.105 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.809 14.715 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.391 12.808 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.150 13.858 -8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.495 15.084 -9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.667 16.229 -9.141 1.00 0.00 H new ATOM 756 N ASN A 50 6.021 13.106 -3.132 1.00 0.00 N ATOM 757 CA ASN A 50 5.683 13.630 -1.819 1.00 0.00 C ATOM 758 C ASN A 50 5.910 12.542 -0.767 1.00 0.00 C ATOM 759 O ASN A 50 6.417 11.467 -1.081 1.00 0.00 O ATOM 760 CB ASN A 50 4.213 14.049 -1.756 1.00 0.00 C ATOM 761 CG ASN A 50 3.613 14.162 -3.160 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.261 14.573 -4.108 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.343 13.773 -3.238 1.00 0.00 N ATOM 0 H ASN A 50 5.659 12.172 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 50 6.314 14.498 -1.629 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.649 13.321 -1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.126 15.006 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.853 13.809 -4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.860 13.439 -2.404 1.00 0.00 H new ATOM 770 N PRO A 51 5.513 12.869 0.492 1.00 0.00 N ATOM 771 CA PRO A 51 5.669 11.934 1.592 1.00 0.00 C ATOM 772 C PRO A 51 4.624 10.819 1.515 1.00 0.00 C ATOM 773 O PRO A 51 3.519 11.032 1.018 1.00 0.00 O ATOM 774 CB PRO A 51 5.544 12.779 2.850 1.00 0.00 C ATOM 775 CG PRO A 51 4.864 14.069 2.418 1.00 0.00 C ATOM 776 CD PRO A 51 4.909 14.134 0.900 1.00 0.00 C ATOM 0 HA PRO A 51 6.628 11.416 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.957 12.264 3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.523 12.980 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.833 14.094 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.370 14.931 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.910 14.250 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.500 14.984 0.557 1.00 0.00 H new ATOM 784 N HIS A 52 5.009 9.654 2.016 1.00 0.00 N ATOM 785 CA HIS A 52 4.119 8.505 2.011 1.00 0.00 C ATOM 786 C HIS A 52 4.676 7.421 2.935 1.00 0.00 C ATOM 787 O HIS A 52 5.876 7.383 3.201 1.00 0.00 O ATOM 788 CB HIS A 52 3.886 8.006 0.583 1.00 0.00 C ATOM 789 CG HIS A 52 5.138 7.526 -0.112 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.076 8.391 -0.649 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.597 6.264 -0.350 1.00 0.00 C ATOM 792 CE1 HIS A 52 7.049 7.670 -1.186 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.751 6.353 -0.999 1.00 0.00 N ATOM 0 H HIS A 52 5.926 9.481 2.428 1.00 0.00 H new ATOM 0 HA HIS A 52 3.142 8.795 2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.161 7.192 0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.442 8.810 -0.004 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.026 9.410 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.105 5.348 -0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.925 8.058 -1.685 1.00 0.00 H new ATOM 802 N HIS A 53 3.776 6.566 3.399 1.00 0.00 N ATOM 803 CA HIS A 53 4.162 5.483 4.288 1.00 0.00 C ATOM 804 C HIS A 53 3.272 4.265 4.030 1.00 0.00 C ATOM 805 O HIS A 53 3.265 3.319 4.817 1.00 0.00 O ATOM 806 CB HIS A 53 4.130 5.942 5.747 1.00 0.00 C ATOM 807 CG HIS A 53 4.351 4.830 6.745 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.318 4.235 7.447 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.498 4.211 7.150 1.00 0.00 C ATOM 810 CE1 HIS A 53 3.830 3.303 8.237 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.181 3.290 8.051 1.00 0.00 N ATOM 0 H HIS A 53 2.781 6.601 3.176 1.00 0.00 H new ATOM 0 HA HIS A 53 5.191 5.187 4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.894 6.706 5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.167 6.411 5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.494 4.433 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.275 2.666 8.910 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.840 2.673 8.527 1.00 0.00 H new ATOM 820 N LEU A 54 2.544 4.329 2.925 1.00 0.00 N ATOM 821 CA LEU A 54 1.653 3.243 2.554 1.00 0.00 C ATOM 822 C LEU A 54 1.416 3.277 1.042 1.00 0.00 C ATOM 823 O LEU A 54 1.195 4.344 0.470 1.00 0.00 O ATOM 824 CB LEU A 54 0.365 3.299 3.379 1.00 0.00 C ATOM 825 CG LEU A 54 0.226 2.244 4.477 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.420 2.864 5.862 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.110 1.506 4.363 1.00 0.00 C ATOM 0 H LEU A 54 2.553 5.115 2.275 1.00 0.00 H new ATOM 0 HA LEU A 54 2.110 2.281 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.294 4.285 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.482 3.202 2.700 1.00 0.00 H new ATOM 0 HG LEU A 54 1.016 1.505 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.316 2.092 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.414 3.306 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.332 3.637 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.183 0.761 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.929 2.219 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.171 1.011 3.394 1.00 0.00 H new ATOM 839 N VAL A 55 1.469 2.099 0.440 1.00 0.00 N ATOM 840 CA VAL A 55 1.265 1.981 -0.994 1.00 0.00 C ATOM 841 C VAL A 55 0.299 0.827 -1.273 1.00 0.00 C ATOM 842 O VAL A 55 0.713 -0.328 -1.349 1.00 0.00 O ATOM 843 CB VAL A 55 2.610 1.821 -1.704 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.442 1.901 -3.223 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.619 2.858 -1.208 1.00 0.00 C ATOM 0 H VAL A 55 1.650 1.217 0.919 1.00 0.00 H new ATOM 0 HA VAL A 55 0.811 2.889 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 55 3.000 0.832 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.414 1.784 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.774 1.107 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.018 2.869 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.567 2.722 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.237 3.860 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.773 2.732 -0.136 1.00 0.00 H new ATOM 855 N ILE A 56 -0.970 1.181 -1.419 1.00 0.00 N ATOM 856 CA ILE A 56 -1.997 0.190 -1.689 1.00 0.00 C ATOM 857 C ILE A 56 -2.580 0.431 -3.082 1.00 0.00 C ATOM 858 O ILE A 56 -2.845 1.573 -3.458 1.00 0.00 O ATOM 859 CB ILE A 56 -3.045 0.188 -0.574 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.339 0.862 -1.036 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.490 0.826 0.702 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.218 -0.117 -1.816 1.00 0.00 C ATOM 0 H ILE A 56 -1.310 2.141 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.568 -0.812 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.289 -0.848 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.886 1.238 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.102 1.722 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.255 0.812 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.619 0.265 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.200 1.857 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.131 0.387 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.677 -0.473 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.473 -0.964 -1.179 1.00 0.00 H new ATOM 874 N SER A 57 -2.765 -0.661 -3.809 1.00 0.00 N ATOM 875 CA SER A 57 -3.312 -0.580 -5.152 1.00 0.00 C ATOM 876 C SER A 57 -4.210 -1.789 -5.424 1.00 0.00 C ATOM 877 O SER A 57 -4.243 -2.732 -4.634 1.00 0.00 O ATOM 878 CB SER A 57 -2.198 -0.502 -6.198 1.00 0.00 C ATOM 879 OG SER A 57 -2.445 -1.362 -7.307 1.00 0.00 O ATOM 0 H SER A 57 -2.546 -1.606 -3.493 1.00 0.00 H new ATOM 0 HA SER A 57 -3.906 0.331 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.103 0.525 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.248 -0.770 -5.736 1.00 0.00 H new ATOM 0 HG SER A 57 -1.712 -1.282 -7.953 1.00 0.00 H new ATOM 885 N ASP A 58 -4.917 -1.722 -6.543 1.00 0.00 N ATOM 886 CA ASP A 58 -5.813 -2.800 -6.928 1.00 0.00 C ATOM 887 C ASP A 58 -5.106 -3.708 -7.938 1.00 0.00 C ATOM 888 O ASP A 58 -3.918 -3.538 -8.205 1.00 0.00 O ATOM 889 CB ASP A 58 -7.079 -2.253 -7.589 1.00 0.00 C ATOM 890 CG ASP A 58 -8.389 -2.841 -7.061 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.415 -3.179 -5.859 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.336 -2.938 -7.872 1.00 0.00 O ATOM 0 H ASP A 58 -4.888 -0.938 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.085 -3.351 -6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.103 -1.172 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.021 -2.439 -8.661 1.00 0.00 H new ATOM 897 N PHE A 59 -5.868 -4.653 -8.469 1.00 0.00 N ATOM 898 CA PHE A 59 -5.331 -5.588 -9.443 1.00 0.00 C ATOM 899 C PHE A 59 -6.003 -5.408 -10.805 1.00 0.00 C ATOM 900 O PHE A 59 -5.919 -6.285 -11.664 1.00 0.00 O ATOM 901 CB PHE A 59 -5.628 -6.996 -8.922 1.00 0.00 C ATOM 902 CG PHE A 59 -7.034 -7.160 -8.343 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.055 -6.390 -8.806 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.264 -8.078 -7.366 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.360 -6.542 -8.267 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.569 -8.231 -6.829 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.590 -7.460 -7.291 1.00 0.00 C ATOM 0 H PHE A 59 -6.853 -4.791 -8.243 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.262 -5.419 -9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.496 -7.709 -9.736 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.898 -7.250 -8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.873 -5.663 -9.584 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.454 -8.690 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.170 -5.928 -8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.751 -8.960 -6.053 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.583 -7.577 -6.883 1.00 0.00 H new ATOM 917 N ASN A 60 -6.653 -4.264 -10.962 1.00 0.00 N ATOM 918 CA ASN A 60 -7.339 -3.957 -12.206 1.00 0.00 C ATOM 919 C ASN A 60 -6.332 -3.973 -13.356 1.00 0.00 C ATOM 920 O ASN A 60 -6.207 -4.973 -14.062 1.00 0.00 O ATOM 921 CB ASN A 60 -7.977 -2.568 -12.155 1.00 0.00 C ATOM 922 CG ASN A 60 -9.500 -2.666 -12.054 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.057 -3.092 -11.056 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.142 -2.249 -13.143 1.00 0.00 N ATOM 0 H ASN A 60 -6.719 -3.538 -10.248 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.117 -4.706 -12.355 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.587 -2.016 -11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.704 -2.006 -13.048 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.161 -2.275 -13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.615 -1.904 -13.945 1.00 0.00 H new ATOM 931 N MET A 61 -5.638 -2.856 -13.509 1.00 0.00 N ATOM 932 CA MET A 61 -4.644 -2.729 -14.562 1.00 0.00 C ATOM 933 C MET A 61 -3.611 -1.656 -14.215 1.00 0.00 C ATOM 934 O MET A 61 -3.306 -0.793 -15.036 1.00 0.00 O ATOM 935 CB MET A 61 -5.338 -2.363 -15.877 1.00 0.00 C ATOM 936 CG MET A 61 -6.753 -2.943 -15.930 1.00 0.00 C ATOM 937 SD MET A 61 -7.586 -2.384 -17.405 1.00 0.00 S ATOM 938 CE MET A 61 -9.131 -3.264 -17.241 1.00 0.00 C ATOM 0 H MET A 61 -5.744 -2.029 -12.921 1.00 0.00 H new ATOM 0 HA MET A 61 -4.128 -3.683 -14.666 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.381 -1.279 -15.980 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.755 -2.740 -16.717 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.709 -4.032 -15.918 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.314 -2.636 -15.047 1.00 0.00 H new ATOM 0 HE1 MET A 61 -9.776 -3.027 -18.087 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.938 -4.337 -17.221 1.00 0.00 H new ATOM 0 HE3 MET A 61 -9.623 -2.966 -16.315 1.00 0.00 H new ATOM 948 N PRO A 62 -3.086 -1.747 -12.963 1.00 0.00 N ATOM 949 CA PRO A 62 -2.093 -0.795 -12.497 1.00 0.00 C ATOM 950 C PRO A 62 -0.727 -1.074 -13.127 1.00 0.00 C ATOM 951 O PRO A 62 -0.317 -2.228 -13.242 1.00 0.00 O ATOM 952 CB PRO A 62 -2.089 -0.939 -10.984 1.00 0.00 C ATOM 953 CG PRO A 62 -2.737 -2.284 -10.692 1.00 0.00 C ATOM 954 CD PRO A 62 -3.424 -2.756 -11.963 1.00 0.00 C ATOM 0 HA PRO A 62 -2.326 0.230 -12.786 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.073 -0.901 -10.591 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.644 -0.128 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.987 -3.008 -10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.458 -2.192 -9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.071 -3.743 -12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.503 -2.832 -11.826 1.00 0.00 H new ATOM 962 N LYS A 63 -0.060 0.002 -13.518 1.00 0.00 N ATOM 963 CA LYS A 63 1.252 -0.114 -14.133 1.00 0.00 C ATOM 964 C LYS A 63 2.293 -0.406 -13.052 1.00 0.00 C ATOM 965 O LYS A 63 3.384 -0.892 -13.351 1.00 0.00 O ATOM 966 CB LYS A 63 1.563 1.131 -14.967 1.00 0.00 C ATOM 967 CG LYS A 63 0.761 1.133 -16.271 1.00 0.00 C ATOM 968 CD LYS A 63 1.092 -0.097 -17.119 1.00 0.00 C ATOM 969 CE LYS A 63 0.837 0.176 -18.603 1.00 0.00 C ATOM 970 NZ LYS A 63 0.535 -1.084 -19.317 1.00 0.00 N ATOM 0 H LYS A 63 -0.403 0.958 -13.421 1.00 0.00 H new ATOM 0 HA LYS A 63 1.274 -0.951 -14.831 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.329 2.026 -14.391 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.629 1.166 -15.192 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.305 1.148 -16.046 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.981 2.039 -16.836 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.135 -0.375 -16.971 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.487 -0.942 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.005 0.872 -18.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.711 0.652 -19.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.365 -0.881 -20.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.341 -1.736 -19.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.313 -1.523 -18.904 1.00 0.00 H new ATOM 984 N MET A 64 1.922 -0.100 -11.818 1.00 0.00 N ATOM 985 CA MET A 64 2.811 -0.323 -10.691 1.00 0.00 C ATOM 986 C MET A 64 2.060 -0.952 -9.516 1.00 0.00 C ATOM 987 O MET A 64 1.674 -0.258 -8.578 1.00 0.00 O ATOM 988 CB MET A 64 3.423 1.008 -10.251 1.00 0.00 C ATOM 989 CG MET A 64 4.917 0.854 -9.957 1.00 0.00 C ATOM 990 SD MET A 64 5.821 0.643 -11.483 1.00 0.00 S ATOM 991 CE MET A 64 7.478 0.474 -10.841 1.00 0.00 C ATOM 0 H MET A 64 1.017 0.301 -11.574 1.00 0.00 H new ATOM 0 HA MET A 64 3.598 -1.009 -11.004 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.277 1.755 -11.031 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.909 1.372 -9.361 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.284 1.732 -9.426 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.081 -0.004 -9.306 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.128 1.212 -11.312 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.469 0.634 -9.763 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.851 -0.527 -11.056 1.00 0.00 H new ATOM 1001 N ASP A 65 1.873 -2.262 -9.608 1.00 0.00 N ATOM 1002 CA ASP A 65 1.175 -2.993 -8.564 1.00 0.00 C ATOM 1003 C ASP A 65 2.103 -3.166 -7.360 1.00 0.00 C ATOM 1004 O ASP A 65 3.282 -2.822 -7.427 1.00 0.00 O ATOM 1005 CB ASP A 65 0.763 -4.384 -9.048 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.092 -5.184 -8.063 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -1.166 -4.665 -7.691 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.350 -6.298 -7.704 1.00 0.00 O ATOM 0 H ASP A 65 2.193 -2.835 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 65 0.284 -2.427 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.212 -4.279 -9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.663 -4.956 -9.272 1.00 0.00 H new ATOM 1013 N GLY A 66 1.536 -3.700 -6.288 1.00 0.00 N ATOM 1014 CA GLY A 66 2.297 -3.923 -5.072 1.00 0.00 C ATOM 1015 C GLY A 66 3.755 -4.264 -5.392 1.00 0.00 C ATOM 1016 O GLY A 66 4.669 -3.566 -4.954 1.00 0.00 O ATOM 0 H GLY A 66 0.558 -3.985 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.257 -3.032 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.847 -4.735 -4.501 1.00 0.00 H new ATOM 1020 N LEU A 67 3.924 -5.335 -6.152 1.00 0.00 N ATOM 1021 CA LEU A 67 5.255 -5.777 -6.535 1.00 0.00 C ATOM 1022 C LEU A 67 5.970 -4.644 -7.276 1.00 0.00 C ATOM 1023 O LEU A 67 7.133 -4.356 -7.003 1.00 0.00 O ATOM 1024 CB LEU A 67 5.178 -7.081 -7.331 1.00 0.00 C ATOM 1025 CG LEU A 67 4.543 -8.271 -6.609 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.204 -9.585 -7.031 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.576 -8.073 -5.092 1.00 0.00 C ATOM 0 H LEU A 67 3.163 -5.910 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 67 5.850 -6.006 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.614 -6.893 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.188 -7.360 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 67 3.495 -8.330 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.734 -10.415 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.084 -9.724 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.266 -9.554 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.119 -8.933 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.610 -7.974 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.023 -7.171 -4.831 1.00 0.00 H new ATOM 1039 N GLY A 68 5.242 -4.035 -8.201 1.00 0.00 N ATOM 1040 CA GLY A 68 5.791 -2.940 -8.983 1.00 0.00 C ATOM 1041 C GLY A 68 6.295 -1.816 -8.076 1.00 0.00 C ATOM 1042 O GLY A 68 7.365 -1.255 -8.313 1.00 0.00 O ATOM 0 H GLY A 68 4.278 -4.279 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.609 -3.306 -9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.028 -2.553 -9.658 1.00 0.00 H new ATOM 1046 N LEU A 69 5.502 -1.520 -7.058 1.00 0.00 N ATOM 1047 CA LEU A 69 5.854 -0.473 -6.115 1.00 0.00 C ATOM 1048 C LEU A 69 7.127 -0.873 -5.366 1.00 0.00 C ATOM 1049 O LEU A 69 7.995 -0.037 -5.118 1.00 0.00 O ATOM 1050 CB LEU A 69 4.671 -0.161 -5.195 1.00 0.00 C ATOM 1051 CG LEU A 69 3.352 0.178 -5.889 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.177 -0.523 -5.206 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.147 1.692 -5.971 1.00 0.00 C ATOM 0 H LEU A 69 4.616 -1.987 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 69 6.073 0.456 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.506 -1.020 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.946 0.676 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 69 3.400 -0.196 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.251 -0.265 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.325 -1.602 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.117 -0.202 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.201 1.905 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.130 2.112 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.964 2.140 -6.537 1.00 0.00 H new ATOM 1065 N LEU A 70 7.198 -2.152 -5.027 1.00 0.00 N ATOM 1066 CA LEU A 70 8.351 -2.674 -4.312 1.00 0.00 C ATOM 1067 C LEU A 70 9.609 -2.450 -5.151 1.00 0.00 C ATOM 1068 O LEU A 70 10.614 -1.950 -4.649 1.00 0.00 O ATOM 1069 CB LEU A 70 8.123 -4.136 -3.922 1.00 0.00 C ATOM 1070 CG LEU A 70 8.981 -5.167 -4.655 1.00 0.00 C ATOM 1071 CD1 LEU A 70 10.470 -4.923 -4.398 1.00 0.00 C ATOM 1072 CD2 LEU A 70 8.563 -6.592 -4.287 1.00 0.00 C ATOM 0 H LEU A 70 6.476 -2.842 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 70 8.493 -2.137 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.303 -4.238 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.074 -4.378 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 70 8.814 -5.049 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.058 -5.670 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.742 -3.928 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.672 -4.997 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.190 -7.305 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.681 -6.740 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.520 -6.748 -4.562 1.00 0.00 H new ATOM 1084 N GLN A 71 9.515 -2.833 -6.416 1.00 0.00 N ATOM 1085 CA GLN A 71 10.634 -2.681 -7.331 1.00 0.00 C ATOM 1086 C GLN A 71 11.065 -1.214 -7.403 1.00 0.00 C ATOM 1087 O GLN A 71 12.252 -0.918 -7.535 1.00 0.00 O ATOM 1088 CB GLN A 71 10.285 -3.219 -8.719 1.00 0.00 C ATOM 1089 CG GLN A 71 10.257 -4.748 -8.724 1.00 0.00 C ATOM 1090 CD GLN A 71 10.332 -5.294 -10.151 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.390 -5.392 -10.750 1.00 0.00 O ATOM 1092 NE2 GLN A 71 9.154 -5.642 -10.660 1.00 0.00 N ATOM 0 H GLN A 71 8.680 -3.249 -6.829 1.00 0.00 H new ATOM 0 HA GLN A 71 11.471 -3.267 -6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.314 -2.833 -9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.016 -2.863 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.093 -5.132 -8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.344 -5.100 -8.244 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.306 -5.534 -10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.098 -6.017 -11.607 1.00 0.00 H new ATOM 1101 N ALA A 72 10.077 -0.335 -7.314 1.00 0.00 N ATOM 1102 CA ALA A 72 10.339 1.093 -7.367 1.00 0.00 C ATOM 1103 C ALA A 72 11.109 1.513 -6.113 1.00 0.00 C ATOM 1104 O ALA A 72 12.090 2.250 -6.201 1.00 0.00 O ATOM 1105 CB ALA A 72 9.018 1.849 -7.522 1.00 0.00 C ATOM 0 H ALA A 72 9.094 -0.585 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 72 10.958 1.338 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.214 2.920 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.525 1.536 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.372 1.630 -6.672 1.00 0.00 H new ATOM 1111 N VAL A 73 10.636 1.026 -4.977 1.00 0.00 N ATOM 1112 CA VAL A 73 11.267 1.342 -3.707 1.00 0.00 C ATOM 1113 C VAL A 73 12.744 0.947 -3.764 1.00 0.00 C ATOM 1114 O VAL A 73 13.597 1.633 -3.203 1.00 0.00 O ATOM 1115 CB VAL A 73 10.511 0.663 -2.563 1.00 0.00 C ATOM 1116 CG1 VAL A 73 8.999 0.749 -2.778 1.00 0.00 C ATOM 1117 CG2 VAL A 73 10.960 -0.791 -2.396 1.00 0.00 C ATOM 0 H VAL A 73 9.823 0.414 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 73 11.224 2.414 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 73 10.749 1.195 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.485 0.259 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.697 1.795 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.736 0.254 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.407 -1.251 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.766 -1.340 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.027 -0.819 -2.175 1.00 0.00 H new ATOM 1127 N ARG A 74 13.002 -0.159 -4.448 1.00 0.00 N ATOM 1128 CA ARG A 74 14.362 -0.653 -4.587 1.00 0.00 C ATOM 1129 C ARG A 74 15.234 0.384 -5.297 1.00 0.00 C ATOM 1130 O ARG A 74 16.459 0.342 -5.199 1.00 0.00 O ATOM 1131 CB ARG A 74 14.394 -1.963 -5.375 1.00 0.00 C ATOM 1132 CG ARG A 74 14.161 -3.164 -4.456 1.00 0.00 C ATOM 1133 CD ARG A 74 13.827 -4.418 -5.265 1.00 0.00 C ATOM 1134 NE ARG A 74 15.040 -4.914 -5.953 1.00 0.00 N ATOM 1135 CZ ARG A 74 15.086 -6.043 -6.673 1.00 0.00 C ATOM 1136 NH1 ARG A 74 13.988 -6.799 -6.804 1.00 0.00 N ATOM 1137 NH2 ARG A 74 16.231 -6.415 -7.263 1.00 0.00 N ATOM 0 H ARG A 74 12.293 -0.727 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 74 14.752 -0.835 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.630 -1.942 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.356 -2.066 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.051 -3.343 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.347 -2.945 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.431 -5.191 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.050 -4.193 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 74 15.894 -4.362 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.117 -6.515 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.023 -7.658 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.067 -5.839 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.266 -7.274 -7.811 1.00 0.00 H new ATOM 1151 N ALA A 75 14.568 1.291 -5.997 1.00 0.00 N ATOM 1152 CA ALA A 75 15.267 2.337 -6.724 1.00 0.00 C ATOM 1153 C ALA A 75 15.171 3.648 -5.941 1.00 0.00 C ATOM 1154 O ALA A 75 15.989 4.548 -6.128 1.00 0.00 O ATOM 1155 CB ALA A 75 14.684 2.457 -8.133 1.00 0.00 C ATOM 0 H ALA A 75 13.552 1.323 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 75 16.324 2.091 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.208 3.242 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.803 1.509 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.625 2.706 -8.068 1.00 0.00 H new ATOM 1161 N ASN A 76 14.166 3.713 -5.080 1.00 0.00 N ATOM 1162 CA ASN A 76 13.953 4.899 -4.268 1.00 0.00 C ATOM 1163 C ASN A 76 13.825 4.490 -2.799 1.00 0.00 C ATOM 1164 O ASN A 76 12.860 3.831 -2.416 1.00 0.00 O ATOM 1165 CB ASN A 76 12.665 5.619 -4.671 1.00 0.00 C ATOM 1166 CG ASN A 76 12.845 7.138 -4.615 1.00 0.00 C ATOM 1167 OD1 ASN A 76 13.937 7.664 -4.744 1.00 0.00 O ATOM 1168 ND2 ASN A 76 11.715 7.810 -4.415 1.00 0.00 N ATOM 0 H ASN A 76 13.491 2.964 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 76 14.802 5.566 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.377 5.320 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.854 5.321 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.730 8.828 -4.361 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.833 7.307 -4.315 1.00 0.00 H new ATOM 1175 N PRO A 77 14.840 4.908 -1.995 1.00 0.00 N ATOM 1176 CA PRO A 77 14.850 4.592 -0.577 1.00 0.00 C ATOM 1177 C PRO A 77 13.843 5.456 0.185 1.00 0.00 C ATOM 1178 O PRO A 77 13.644 5.273 1.385 1.00 0.00 O ATOM 1179 CB PRO A 77 16.285 4.821 -0.133 1.00 0.00 C ATOM 1180 CG PRO A 77 16.917 5.698 -1.202 1.00 0.00 C ATOM 1181 CD PRO A 77 15.999 5.691 -2.413 1.00 0.00 C ATOM 0 HA PRO A 77 14.543 3.566 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.319 5.307 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.820 3.876 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.052 6.714 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.905 5.322 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.711 6.703 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.488 5.243 -3.278 1.00 0.00 H new ATOM 1189 N ALA A 78 13.235 6.381 -0.544 1.00 0.00 N ATOM 1190 CA ALA A 78 12.253 7.274 0.048 1.00 0.00 C ATOM 1191 C ALA A 78 10.963 6.499 0.323 1.00 0.00 C ATOM 1192 O ALA A 78 10.286 6.746 1.319 1.00 0.00 O ATOM 1193 CB ALA A 78 12.029 8.472 -0.877 1.00 0.00 C ATOM 0 H ALA A 78 13.403 6.531 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 78 12.613 7.661 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.292 9.142 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.969 9.006 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.666 8.123 -1.843 1.00 0.00 H new ATOM 1199 N THR A 79 10.662 5.578 -0.581 1.00 0.00 N ATOM 1200 CA THR A 79 9.464 4.764 -0.449 1.00 0.00 C ATOM 1201 C THR A 79 9.820 3.372 0.076 1.00 0.00 C ATOM 1202 O THR A 79 8.963 2.493 0.146 1.00 0.00 O ATOM 1203 CB THR A 79 8.759 4.739 -1.806 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.515 4.097 -1.539 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.450 3.812 -2.809 1.00 0.00 C ATOM 0 H THR A 79 11.226 5.377 -1.407 1.00 0.00 H new ATOM 0 HA THR A 79 8.777 5.187 0.284 1.00 0.00 H new ATOM 0 HB THR A 79 8.721 5.749 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.804 4.770 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.909 3.832 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.474 4.149 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.460 2.795 -2.418 1.00 0.00 H new ATOM 1213 N LYS A 80 11.087 3.215 0.433 1.00 0.00 N ATOM 1214 CA LYS A 80 11.567 1.945 0.950 1.00 0.00 C ATOM 1215 C LYS A 80 11.011 1.730 2.359 1.00 0.00 C ATOM 1216 O LYS A 80 11.089 0.627 2.900 1.00 0.00 O ATOM 1217 CB LYS A 80 13.094 1.878 0.875 1.00 0.00 C ATOM 1218 CG LYS A 80 13.734 2.732 1.971 1.00 0.00 C ATOM 1219 CD LYS A 80 14.264 1.857 3.109 1.00 0.00 C ATOM 1220 CE LYS A 80 15.791 1.777 3.074 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.373 2.475 4.243 1.00 0.00 N ATOM 0 H LYS A 80 11.795 3.947 0.374 1.00 0.00 H new ATOM 0 HA LYS A 80 11.204 1.122 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.422 0.843 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.429 2.224 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.549 3.320 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.001 3.438 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.940 2.264 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.842 0.855 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.107 0.734 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.164 2.225 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.410 2.411 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.087 3.475 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.031 2.030 5.119 1.00 0.00 H new ATOM 1235 N LYS A 81 10.462 2.801 2.914 1.00 0.00 N ATOM 1236 CA LYS A 81 9.893 2.743 4.250 1.00 0.00 C ATOM 1237 C LYS A 81 8.367 2.778 4.152 1.00 0.00 C ATOM 1238 O LYS A 81 7.678 2.881 5.165 1.00 0.00 O ATOM 1239 CB LYS A 81 10.478 3.850 5.130 1.00 0.00 C ATOM 1240 CG LYS A 81 10.068 5.232 4.615 1.00 0.00 C ATOM 1241 CD LYS A 81 11.299 6.081 4.286 1.00 0.00 C ATOM 1242 CE LYS A 81 11.918 6.665 5.558 1.00 0.00 C ATOM 1243 NZ LYS A 81 13.186 7.361 5.244 1.00 0.00 N ATOM 0 H LYS A 81 10.399 3.714 2.463 1.00 0.00 H new ATOM 0 HA LYS A 81 10.160 1.805 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.134 3.724 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.565 3.771 5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.448 5.123 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.462 5.739 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.037 5.471 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.018 6.889 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.220 7.361 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.102 5.868 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.593 7.752 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.856 6.688 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.001 8.134 4.573 1.00 0.00 H new ATOM 1257 N ALA A 82 7.884 2.689 2.921 1.00 0.00 N ATOM 1258 CA ALA A 82 6.451 2.709 2.677 1.00 0.00 C ATOM 1259 C ALA A 82 5.953 1.277 2.471 1.00 0.00 C ATOM 1260 O ALA A 82 6.501 0.536 1.656 1.00 0.00 O ATOM 1261 CB ALA A 82 6.150 3.609 1.476 1.00 0.00 C ATOM 0 H ALA A 82 8.459 2.603 2.083 1.00 0.00 H new ATOM 0 HA ALA A 82 5.921 3.122 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.076 3.624 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.497 4.621 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.663 3.223 0.595 1.00 0.00 H new ATOM 1267 N ALA A 83 4.920 0.929 3.224 1.00 0.00 N ATOM 1268 CA ALA A 83 4.342 -0.401 3.135 1.00 0.00 C ATOM 1269 C ALA A 83 3.238 -0.403 2.076 1.00 0.00 C ATOM 1270 O ALA A 83 2.276 0.358 2.176 1.00 0.00 O ATOM 1271 CB ALA A 83 3.830 -0.829 4.512 1.00 0.00 C ATOM 0 H ALA A 83 4.468 1.546 3.899 1.00 0.00 H new ATOM 0 HA ALA A 83 5.095 -1.127 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.396 -1.827 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.658 -0.840 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.070 -0.125 4.853 1.00 0.00 H new ATOM 1277 N PHE A 84 3.414 -1.264 1.085 1.00 0.00 N ATOM 1278 CA PHE A 84 2.444 -1.375 0.008 1.00 0.00 C ATOM 1279 C PHE A 84 1.465 -2.522 0.268 1.00 0.00 C ATOM 1280 O PHE A 84 1.832 -3.533 0.864 1.00 0.00 O ATOM 1281 CB PHE A 84 3.229 -1.670 -1.272 1.00 0.00 C ATOM 1282 CG PHE A 84 4.748 -1.613 -1.097 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.358 -0.430 -0.818 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.489 -2.747 -1.220 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.767 -0.378 -0.657 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.899 -2.696 -1.058 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.509 -1.512 -0.780 1.00 0.00 C ATOM 0 H PHE A 84 4.214 -1.892 1.005 1.00 0.00 H new ATOM 0 HA PHE A 84 1.868 -0.453 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.952 -2.660 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.935 -0.954 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.770 0.470 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.005 -3.687 -1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.251 0.562 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.487 -3.597 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.581 -1.472 -0.657 1.00 0.00 H new ATOM 1297 N ILE A 85 0.239 -2.326 -0.193 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.796 -3.331 -0.019 1.00 0.00 C ATOM 1299 C ILE A 85 -1.260 -3.822 -1.391 1.00 0.00 C ATOM 1300 O ILE A 85 -1.470 -3.023 -2.302 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.928 -2.788 0.856 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.803 -3.297 2.293 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.294 -3.114 0.249 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.085 -2.275 3.176 1.00 0.00 C ATOM 0 H ILE A 85 -0.061 -1.486 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.401 -4.197 0.512 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.842 -1.702 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.794 -3.500 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.255 -4.239 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.081 -2.717 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.370 -2.663 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.406 -4.195 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.009 -2.662 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.085 -2.092 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.648 -1.342 3.184 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.407 -5.135 -1.495 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.843 -5.743 -2.742 1.00 0.00 C ATOM 1318 C ILE A 86 -2.932 -6.775 -2.447 1.00 0.00 C ATOM 1319 O ILE A 86 -2.660 -7.820 -1.859 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.646 -6.313 -3.507 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.884 -6.258 -5.017 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.315 -7.728 -3.030 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.323 -6.650 -5.359 1.00 0.00 C ATOM 0 H ILE A 86 -1.232 -5.795 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.284 -4.993 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 86 0.223 -5.690 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.680 -5.252 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.190 -6.929 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.539 -8.110 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.073 -7.706 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.175 -8.377 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.466 -6.603 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.516 -7.665 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.013 -5.962 -4.871 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.144 -6.446 -2.870 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.276 -7.331 -2.658 1.00 0.00 C ATOM 1337 C LEU A 87 -5.493 -8.184 -3.910 1.00 0.00 C ATOM 1338 O LEU A 87 -5.558 -7.658 -5.020 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.512 -6.530 -2.239 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.649 -6.468 -3.262 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.186 -5.799 -4.557 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.237 -7.857 -3.513 1.00 0.00 C ATOM 0 H LEU A 87 -4.366 -5.579 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.074 -8.016 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.903 -6.959 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.200 -5.511 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.447 -5.851 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.013 -5.768 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.853 -4.783 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.361 -6.368 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.043 -7.784 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.459 -8.518 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.629 -8.260 -2.579 1.00 0.00 H new ATOM 1354 N THR A 88 -5.596 -9.485 -3.689 1.00 0.00 N ATOM 1355 CA THR A 88 -5.802 -10.417 -4.786 1.00 0.00 C ATOM 1356 C THR A 88 -6.542 -11.663 -4.295 1.00 0.00 C ATOM 1357 O THR A 88 -6.588 -11.930 -3.095 1.00 0.00 O ATOM 1358 CB THR A 88 -4.439 -10.725 -5.408 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.670 -11.894 -6.189 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.408 -11.169 -4.368 1.00 0.00 C ATOM 0 H THR A 88 -5.541 -9.917 -2.767 1.00 0.00 H new ATOM 0 HA THR A 88 -6.437 -9.984 -5.559 1.00 0.00 H new ATOM 0 HB THR A 88 -4.071 -9.842 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.838 -12.160 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.458 -11.375 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.270 -10.377 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.760 -12.071 -3.868 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.102 -12.393 -5.248 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.838 -13.605 -4.928 1.00 0.00 C ATOM 1370 C ALA A 89 -6.848 -14.740 -4.657 1.00 0.00 C ATOM 1371 O ALA A 89 -7.089 -15.883 -5.044 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.804 -13.932 -6.068 1.00 0.00 C ATOM 0 H ALA A 89 -7.061 -12.169 -6.242 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.435 -13.466 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.356 -14.841 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.504 -13.107 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.242 -14.082 -6.990 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.756 -14.386 -3.997 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.730 -15.361 -3.670 1.00 0.00 C ATOM 1380 C GLN A 90 -4.451 -15.355 -2.166 1.00 0.00 C ATOM 1381 O GLN A 90 -4.619 -16.373 -1.496 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.450 -15.096 -4.466 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.601 -15.556 -5.917 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.732 -14.358 -6.860 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.900 -13.467 -6.893 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -4.821 -14.387 -7.624 1.00 0.00 N ATOM 0 H GLN A 90 -5.559 -13.437 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.094 -16.350 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.216 -14.032 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.614 -15.618 -4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.738 -16.157 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.479 -16.195 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.478 -15.163 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.999 -13.633 -8.287 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.030 -14.197 -1.678 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.727 -14.046 -0.266 1.00 0.00 C ATOM 1397 C GLY A 91 -2.922 -15.239 0.253 1.00 0.00 C ATOM 1398 O GLY A 91 -3.456 -16.092 0.961 1.00 0.00 O ATOM 0 H GLY A 91 -3.892 -13.355 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.164 -13.126 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.654 -13.954 0.301 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.650 -15.262 -0.119 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.767 -16.336 0.301 1.00 0.00 C ATOM 1404 C ASP A 92 0.483 -15.738 0.950 1.00 0.00 C ATOM 1405 O ASP A 92 1.182 -14.934 0.336 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.321 -17.180 -0.895 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.726 -18.653 -0.834 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.063 -19.394 -0.075 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -1.690 -19.007 -1.547 1.00 0.00 O ATOM 0 H ASP A 92 -1.210 -14.554 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.312 -16.966 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.735 -16.742 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.764 -17.120 -0.978 1.00 0.00 H new ATOM 1414 N ARG A 93 0.726 -16.155 2.184 1.00 0.00 N ATOM 1415 CA ARG A 93 1.879 -15.671 2.924 1.00 0.00 C ATOM 1416 C ARG A 93 3.163 -15.926 2.132 1.00 0.00 C ATOM 1417 O ARG A 93 4.149 -15.209 2.293 1.00 0.00 O ATOM 1418 CB ARG A 93 1.985 -16.356 4.288 1.00 0.00 C ATOM 1419 CG ARG A 93 2.234 -17.858 4.130 1.00 0.00 C ATOM 1420 CD ARG A 93 1.781 -18.623 5.376 1.00 0.00 C ATOM 1421 NE ARG A 93 0.303 -18.678 5.427 1.00 0.00 N ATOM 1422 CZ ARG A 93 -0.391 -19.344 6.359 1.00 0.00 C ATOM 1423 NH1 ARG A 93 0.253 -20.016 7.324 1.00 0.00 N ATOM 1424 NH2 ARG A 93 -1.731 -19.340 6.327 1.00 0.00 N ATOM 0 H ARG A 93 0.144 -16.823 2.690 1.00 0.00 H new ATOM 0 HA ARG A 93 1.749 -14.600 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.796 -15.908 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.067 -16.193 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.698 -18.229 3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.295 -18.038 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.190 -19.633 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.166 -18.136 6.272 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.219 -18.178 4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.273 -20.020 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.277 -20.523 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.222 -18.830 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.260 -19.847 7.037 1.00 0.00 H new ATOM 1438 N ALA A 94 3.110 -16.950 1.293 1.00 0.00 N ATOM 1439 CA ALA A 94 4.255 -17.309 0.475 1.00 0.00 C ATOM 1440 C ALA A 94 4.621 -16.129 -0.428 1.00 0.00 C ATOM 1441 O ALA A 94 5.786 -15.743 -0.509 1.00 0.00 O ATOM 1442 CB ALA A 94 3.939 -18.576 -0.321 1.00 0.00 C ATOM 0 H ALA A 94 2.290 -17.543 1.162 1.00 0.00 H new ATOM 0 HA ALA A 94 5.120 -17.526 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.799 -18.844 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.715 -19.391 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.077 -18.397 -0.963 1.00 0.00 H new ATOM 1448 N LEU A 95 3.604 -15.589 -1.083 1.00 0.00 N ATOM 1449 CA LEU A 95 3.803 -14.461 -1.978 1.00 0.00 C ATOM 1450 C LEU A 95 4.241 -13.242 -1.163 1.00 0.00 C ATOM 1451 O LEU A 95 5.052 -12.440 -1.625 1.00 0.00 O ATOM 1452 CB LEU A 95 2.553 -14.220 -2.823 1.00 0.00 C ATOM 1453 CG LEU A 95 2.433 -15.058 -4.098 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.503 -16.253 -3.883 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.992 -14.195 -5.282 1.00 0.00 C ATOM 0 H LEU A 95 2.639 -15.912 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 95 4.602 -14.674 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.677 -14.411 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.524 -13.166 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 95 3.419 -15.456 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.435 -16.832 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.899 -16.883 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.511 -15.897 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.915 -14.815 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.022 -13.748 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.725 -13.406 -5.450 1.00 0.00 H new ATOM 1467 N VAL A 96 3.684 -13.140 0.034 1.00 0.00 N ATOM 1468 CA VAL A 96 4.005 -12.031 0.917 1.00 0.00 C ATOM 1469 C VAL A 96 5.497 -12.069 1.254 1.00 0.00 C ATOM 1470 O VAL A 96 6.179 -11.048 1.183 1.00 0.00 O ATOM 1471 CB VAL A 96 3.111 -12.074 2.158 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.410 -10.898 3.090 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.632 -12.103 1.767 1.00 0.00 C ATOM 0 H VAL A 96 3.012 -13.807 0.414 1.00 0.00 H new ATOM 0 HA VAL A 96 3.807 -11.080 0.423 1.00 0.00 H new ATOM 0 HB VAL A 96 3.332 -12.994 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.761 -10.952 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.452 -10.942 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.231 -9.961 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.018 -12.133 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.390 -11.209 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.433 -12.988 1.162 1.00 0.00 H new ATOM 1483 N GLN A 97 5.960 -13.258 1.614 1.00 0.00 N ATOM 1484 CA GLN A 97 7.358 -13.442 1.962 1.00 0.00 C ATOM 1485 C GLN A 97 8.233 -13.363 0.708 1.00 0.00 C ATOM 1486 O GLN A 97 9.385 -12.941 0.776 1.00 0.00 O ATOM 1487 CB GLN A 97 7.571 -14.768 2.696 1.00 0.00 C ATOM 1488 CG GLN A 97 8.444 -14.573 3.938 1.00 0.00 C ATOM 1489 CD GLN A 97 9.859 -15.103 3.700 1.00 0.00 C ATOM 1490 OE1 GLN A 97 10.794 -14.156 3.679 1.00 0.00 O flip ATOM 1491 NE2 GLN A 97 10.088 -16.291 3.548 1.00 0.00 N flip ATOM 0 H GLN A 97 5.391 -14.103 1.672 1.00 0.00 H new ATOM 0 HA GLN A 97 7.652 -12.639 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.607 -15.186 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.041 -15.487 2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.486 -13.515 4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.996 -15.089 4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.323 -16.965 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.044 -16.610 3.393 1.00 0.00 H new ATOM 1500 N LYS A 98 7.649 -13.776 -0.408 1.00 0.00 N ATOM 1501 CA LYS A 98 8.360 -13.758 -1.675 1.00 0.00 C ATOM 1502 C LYS A 98 8.734 -12.316 -2.023 1.00 0.00 C ATOM 1503 O LYS A 98 9.904 -12.014 -2.254 1.00 0.00 O ATOM 1504 CB LYS A 98 7.540 -14.461 -2.759 1.00 0.00 C ATOM 1505 CG LYS A 98 8.430 -14.889 -3.927 1.00 0.00 C ATOM 1506 CD LYS A 98 8.368 -16.405 -4.136 1.00 0.00 C ATOM 1507 CE LYS A 98 8.594 -16.765 -5.606 1.00 0.00 C ATOM 1508 NZ LYS A 98 7.304 -17.051 -6.272 1.00 0.00 N ATOM 0 H LYS A 98 6.692 -14.125 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 98 9.291 -14.320 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.044 -15.334 -2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.757 -13.793 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.113 -14.379 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.459 -14.586 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.123 -16.892 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.398 -16.781 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.099 -15.944 -6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.248 -17.634 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.474 -17.294 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.837 -17.849 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.693 -16.211 -6.220 1.00 0.00 H new ATOM 1522 N ALA A 99 7.720 -11.465 -2.051 1.00 0.00 N ATOM 1523 CA ALA A 99 7.928 -10.063 -2.368 1.00 0.00 C ATOM 1524 C ALA A 99 8.589 -9.367 -1.177 1.00 0.00 C ATOM 1525 O ALA A 99 9.572 -8.648 -1.340 1.00 0.00 O ATOM 1526 CB ALA A 99 6.592 -9.422 -2.749 1.00 0.00 C ATOM 0 H ALA A 99 6.751 -11.720 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 99 8.596 -9.959 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.748 -8.370 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.178 -9.933 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.897 -9.506 -1.914 1.00 0.00 H new ATOM 1532 N ALA A 100 8.022 -9.608 -0.002 1.00 0.00 N ATOM 1533 CA ALA A 100 8.545 -9.014 1.216 1.00 0.00 C ATOM 1534 C ALA A 100 10.036 -9.334 1.336 1.00 0.00 C ATOM 1535 O ALA A 100 10.789 -8.579 1.948 1.00 0.00 O ATOM 1536 CB ALA A 100 7.740 -9.519 2.416 1.00 0.00 C ATOM 0 H ALA A 100 7.206 -10.206 0.131 1.00 0.00 H new ATOM 0 HA ALA A 100 8.443 -7.929 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.132 -9.074 3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.693 -9.239 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.821 -10.604 2.477 1.00 0.00 H new ATOM 1542 N ALA A 101 10.417 -10.455 0.742 1.00 0.00 N ATOM 1543 CA ALA A 101 11.804 -10.885 0.775 1.00 0.00 C ATOM 1544 C ALA A 101 12.497 -10.457 -0.520 1.00 0.00 C ATOM 1545 O ALA A 101 13.722 -10.364 -0.572 1.00 0.00 O ATOM 1546 CB ALA A 101 11.865 -12.397 0.996 1.00 0.00 C ATOM 0 H ALA A 101 9.789 -11.079 0.235 1.00 0.00 H new ATOM 0 HA ALA A 101 12.332 -10.413 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.906 -12.719 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.385 -12.646 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.347 -12.905 0.182 1.00 0.00 H new ATOM 1552 N LEU A 102 11.682 -10.207 -1.535 1.00 0.00 N ATOM 1553 CA LEU A 102 12.201 -9.791 -2.826 1.00 0.00 C ATOM 1554 C LEU A 102 12.841 -8.407 -2.693 1.00 0.00 C ATOM 1555 O LEU A 102 13.684 -8.028 -3.504 1.00 0.00 O ATOM 1556 CB LEU A 102 11.106 -9.861 -3.892 1.00 0.00 C ATOM 1557 CG LEU A 102 11.554 -9.600 -5.332 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.309 -10.805 -5.898 1.00 0.00 C ATOM 1559 CD2 LEU A 102 10.367 -9.204 -6.211 1.00 0.00 C ATOM 0 H LEU A 102 10.666 -10.285 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 102 12.983 -10.474 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.647 -10.849 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.331 -9.138 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 102 12.247 -8.759 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.616 -10.594 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.191 -11.001 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.659 -11.680 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.712 -9.024 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.632 -10.009 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.910 -8.296 -5.817 1.00 0.00 H new ATOM 1571 N GLY A 103 12.416 -7.691 -1.661 1.00 0.00 N ATOM 1572 CA GLY A 103 12.936 -6.358 -1.411 1.00 0.00 C ATOM 1573 C GLY A 103 11.837 -5.430 -0.889 1.00 0.00 C ATOM 1574 O GLY A 103 12.126 -4.366 -0.343 1.00 0.00 O ATOM 0 H GLY A 103 11.718 -8.010 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.748 -6.411 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.356 -5.949 -2.330 1.00 0.00 H new ATOM 1578 N ALA A 104 10.600 -5.867 -1.074 1.00 0.00 N ATOM 1579 CA ALA A 104 9.457 -5.088 -0.629 1.00 0.00 C ATOM 1580 C ALA A 104 9.640 -4.718 0.844 1.00 0.00 C ATOM 1581 O ALA A 104 10.188 -5.499 1.621 1.00 0.00 O ATOM 1582 CB ALA A 104 8.171 -5.881 -0.875 1.00 0.00 C ATOM 0 H ALA A 104 10.364 -6.750 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 104 9.381 -4.160 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.314 -5.297 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.073 -6.094 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.210 -6.818 -0.320 1.00 0.00 H new ATOM 1588 N ASN A 105 9.172 -3.527 1.185 1.00 0.00 N ATOM 1589 CA ASN A 105 9.277 -3.044 2.552 1.00 0.00 C ATOM 1590 C ASN A 105 8.225 -3.741 3.417 1.00 0.00 C ATOM 1591 O ASN A 105 8.509 -4.140 4.545 1.00 0.00 O ATOM 1592 CB ASN A 105 9.026 -1.537 2.624 1.00 0.00 C ATOM 1593 CG ASN A 105 9.275 -1.006 4.038 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.396 -0.942 4.515 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.171 -0.631 4.677 1.00 0.00 N ATOM 0 H ASN A 105 8.719 -2.881 0.538 1.00 0.00 H new ATOM 0 HA ASN A 105 10.284 -3.259 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.678 -1.022 1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.000 -1.321 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.231 -0.263 5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.264 -0.712 4.218 1.00 0.00 H new ATOM 1602 N ASN A 106 7.031 -3.865 2.855 1.00 0.00 N ATOM 1603 CA ASN A 106 5.935 -4.506 3.562 1.00 0.00 C ATOM 1604 C ASN A 106 4.774 -4.734 2.592 1.00 0.00 C ATOM 1605 O ASN A 106 4.318 -3.801 1.933 1.00 0.00 O ATOM 1606 CB ASN A 106 5.430 -3.628 4.708 1.00 0.00 C ATOM 1607 CG ASN A 106 5.484 -4.380 6.040 1.00 0.00 C ATOM 1608 OD1 ASN A 106 5.956 -3.878 7.046 1.00 0.00 O ATOM 1609 ND2 ASN A 106 4.975 -5.608 5.989 1.00 0.00 N ATOM 0 H ASN A 106 6.799 -3.533 1.919 1.00 0.00 H new ATOM 0 HA ASN A 106 6.300 -5.450 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.035 -2.724 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.406 -3.313 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.964 -6.191 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.596 -5.967 5.113 1.00 0.00 H new