USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 66 ASN : amide:sc= -4.93! C(o=-5.2!,f=-9.6!) USER MOD Set 1.2: A 70 ASN : amide:sc= -0.302 K(o=-5.2,f=-7.7!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -5.19! C(o=-4.8!,f=-12!) USER MOD Set 2.2: A 54 GLN : amide:sc= 0.418 K(o=-4.8,f=-8.6) USER MOD Set 3.1: A 44 THR OG1 : rot -44:sc= -9.39! USER MOD Set 3.2: A 60 ASN : amide:sc= -16.1! C(o=-25!,f=-41!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -60:sc= -0.716 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.0131 (180deg=-0.191) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 MET CE :methyl -163:sc= -1.35 (180deg=-1.92) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.217 (180deg=-0.436) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.36! C(o=-4.4!,f=-3.1!) USER MOD Single : A 59 MET CE :methyl -149:sc= -2.51 (180deg=-2.68!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 67 THR OG1 : rot 83:sc= 0.788 USER MOD Single : A 68 MET CE :methyl -173:sc= -1.53 (180deg=-1.66) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 168:sc= -0.719 USER MOD Single : A 73 THR OG1 : rot -21:sc= -1.31! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -162:sc= 0.503! USER MOD Single : A 82 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -10.856 4.547 0.054 1.00 0.00 N ATOM 49 CA SER A 16 -10.754 3.303 0.807 1.00 0.00 C ATOM 50 C SER A 16 -9.642 3.382 1.848 1.00 0.00 C ATOM 51 O SER A 16 -8.736 4.208 1.743 1.00 0.00 O ATOM 52 CB SER A 16 -10.498 2.128 -0.140 1.00 0.00 C ATOM 53 OG SER A 16 -11.151 0.955 0.315 1.00 0.00 O ATOM 0 HA SER A 16 -11.700 3.146 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.850 2.380 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.426 1.945 -0.216 1.00 0.00 H new ATOM 0 HG SER A 16 -10.974 0.219 -0.308 1.00 0.00 H new ATOM 59 N ARG A 17 -9.721 2.515 2.852 1.00 0.00 N ATOM 60 CA ARG A 17 -8.724 2.483 3.915 1.00 0.00 C ATOM 61 C ARG A 17 -7.539 1.606 3.523 1.00 0.00 C ATOM 62 O ARG A 17 -6.429 1.782 4.028 1.00 0.00 O ATOM 63 CB ARG A 17 -9.349 1.967 5.213 1.00 0.00 C ATOM 64 CG ARG A 17 -10.815 2.336 5.369 1.00 0.00 C ATOM 65 CD ARG A 17 -11.400 1.762 6.650 1.00 0.00 C ATOM 66 NE ARG A 17 -12.542 0.891 6.387 1.00 0.00 N ATOM 67 CZ ARG A 17 -13.713 1.327 5.935 1.00 0.00 C ATOM 68 NH1 ARG A 17 -13.894 2.619 5.697 1.00 0.00 N ATOM 69 NH2 ARG A 17 -14.704 0.473 5.721 1.00 0.00 N ATOM 0 H ARG A 17 -10.466 1.825 2.952 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.364 3.500 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.250 0.882 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.790 2.366 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.920 3.421 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.378 1.965 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.631 1.201 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.709 2.577 7.305 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.435 -0.108 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.134 3.279 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.793 2.953 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.569 -0.521 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.602 0.810 5.374 1.00 0.00 H new ATOM 83 N VAL A 18 -7.781 0.661 2.620 1.00 0.00 N ATOM 84 CA VAL A 18 -6.734 -0.242 2.159 1.00 0.00 C ATOM 85 C VAL A 18 -5.979 0.354 0.977 1.00 0.00 C ATOM 86 O VAL A 18 -6.564 1.035 0.134 1.00 0.00 O ATOM 87 CB VAL A 18 -7.309 -1.609 1.750 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.228 -2.481 1.130 1.00 0.00 C ATOM 89 CG2 VAL A 18 -7.942 -2.304 2.947 1.00 0.00 C ATOM 0 H VAL A 18 -8.694 0.501 2.193 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.047 -0.383 2.994 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.085 -1.445 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.655 -3.443 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.826 -1.988 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.427 -2.637 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.343 -3.269 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.189 -2.455 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.748 -1.686 3.342 1.00 0.00 H new ATOM 99 N ILE A 19 -4.677 0.095 0.920 1.00 0.00 N ATOM 100 CA ILE A 19 -3.843 0.608 -0.160 1.00 0.00 C ATOM 101 C ILE A 19 -3.144 -0.525 -0.903 1.00 0.00 C ATOM 102 O ILE A 19 -2.217 -1.144 -0.381 1.00 0.00 O ATOM 103 CB ILE A 19 -2.782 1.590 0.369 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.437 2.659 1.246 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.030 2.233 -0.786 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.547 3.415 0.548 1.00 0.00 C ATOM 0 H ILE A 19 -4.177 -0.467 1.609 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.505 1.134 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.067 1.035 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.838 2.186 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.675 3.367 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.284 2.924 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.535 1.460 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.731 2.777 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.966 4.156 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.147 3.916 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.328 2.717 0.246 1.00 0.00 H new ATOM 118 N HIS A 20 -3.594 -0.791 -2.124 1.00 0.00 N ATOM 119 CA HIS A 20 -3.011 -1.848 -2.942 1.00 0.00 C ATOM 120 C HIS A 20 -1.706 -1.383 -3.578 1.00 0.00 C ATOM 121 O HIS A 20 -1.678 -0.389 -4.305 1.00 0.00 O ATOM 122 CB HIS A 20 -3.995 -2.286 -4.028 1.00 0.00 C ATOM 123 CG HIS A 20 -3.735 -3.664 -4.552 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.670 -4.389 -5.261 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.637 -4.451 -4.469 1.00 0.00 C ATOM 126 CE1 HIS A 20 -4.159 -5.561 -5.589 1.00 0.00 C ATOM 127 NE2 HIS A 20 -2.927 -5.624 -5.121 1.00 0.00 N ATOM 0 H HIS A 20 -4.362 -0.289 -2.570 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.797 -2.698 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.008 -2.244 -3.627 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.950 -1.577 -4.855 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.706 -4.203 -3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.664 -6.337 -6.146 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.293 -6.416 -5.226 1.00 0.00 H new ATOM 136 N ILE A 21 -0.625 -2.104 -3.298 1.00 0.00 N ATOM 137 CA ILE A 21 0.682 -1.762 -3.841 1.00 0.00 C ATOM 138 C ILE A 21 1.031 -2.642 -5.037 1.00 0.00 C ATOM 139 O ILE A 21 1.239 -3.846 -4.896 1.00 0.00 O ATOM 140 CB ILE A 21 1.787 -1.906 -2.777 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.276 -1.440 -1.413 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.022 -1.115 -3.185 1.00 0.00 C ATOM 143 CD1 ILE A 21 1.116 0.062 -1.308 1.00 0.00 C ATOM 0 H ILE A 21 -0.630 -2.929 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 21 0.626 -0.722 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 21 2.062 -2.958 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.315 -1.914 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.966 -1.779 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.794 -1.227 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.396 -1.490 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.762 -0.061 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.750 0.320 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.079 0.543 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.403 0.405 -2.058 1.00 0.00 H new ATOM 155 N ARG A 22 1.095 -2.030 -6.216 1.00 0.00 N ATOM 156 CA ARG A 22 1.422 -2.755 -7.437 1.00 0.00 C ATOM 157 C ARG A 22 2.901 -2.605 -7.776 1.00 0.00 C ATOM 158 O ARG A 22 3.625 -1.858 -7.118 1.00 0.00 O ATOM 159 CB ARG A 22 0.566 -2.250 -8.601 1.00 0.00 C ATOM 160 CG ARG A 22 0.485 -3.224 -9.765 1.00 0.00 C ATOM 161 CD ARG A 22 -0.918 -3.280 -10.347 1.00 0.00 C ATOM 162 NE ARG A 22 -0.915 -3.123 -11.798 1.00 0.00 N ATOM 163 CZ ARG A 22 -1.880 -3.580 -12.591 1.00 0.00 C ATOM 164 NH1 ARG A 22 -2.920 -4.217 -12.072 1.00 0.00 N ATOM 165 NH2 ARG A 22 -1.807 -3.397 -13.902 1.00 0.00 N ATOM 0 H ARG A 22 0.924 -1.033 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 22 1.209 -3.811 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.441 -2.046 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.974 -1.304 -8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.190 -2.925 -10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.781 -4.218 -9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.381 -4.232 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.528 -2.496 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.129 -2.636 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.981 -4.357 -11.064 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.660 -4.567 -12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.009 -2.905 -14.305 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.548 -3.748 -14.508 1.00 0.00 H new ATOM 179 N LYS A 23 3.346 -3.321 -8.804 1.00 0.00 N ATOM 180 CA LYS A 23 4.742 -3.265 -9.222 1.00 0.00 C ATOM 181 C LYS A 23 5.668 -3.347 -8.016 1.00 0.00 C ATOM 182 O LYS A 23 6.643 -2.601 -7.917 1.00 0.00 O ATOM 183 CB LYS A 23 5.015 -1.972 -9.992 1.00 0.00 C ATOM 184 CG LYS A 23 3.768 -1.356 -10.606 1.00 0.00 C ATOM 185 CD LYS A 23 4.031 -0.855 -12.017 1.00 0.00 C ATOM 186 CE LYS A 23 3.588 -1.869 -13.059 1.00 0.00 C ATOM 187 NZ LYS A 23 3.869 -1.399 -14.445 1.00 0.00 N ATOM 0 H LYS A 23 2.762 -3.945 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 23 4.935 -4.118 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.474 -1.248 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.737 -2.175 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.967 -2.095 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.425 -0.530 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.503 0.085 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.094 -0.648 -12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.100 -2.815 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.520 -2.060 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.552 -2.118 -15.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.360 -0.509 -14.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.891 -1.241 -14.558 1.00 0.00 H new ATOM 201 N LEU A 24 5.358 -4.256 -7.099 1.00 0.00 N ATOM 202 CA LEU A 24 6.164 -4.428 -5.899 1.00 0.00 C ATOM 203 C LEU A 24 6.431 -5.903 -5.628 1.00 0.00 C ATOM 204 O LEU A 24 5.528 -6.646 -5.244 1.00 0.00 O ATOM 205 CB LEU A 24 5.463 -3.791 -4.696 1.00 0.00 C ATOM 206 CG LEU A 24 5.793 -4.419 -3.341 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.291 -4.372 -3.082 1.00 0.00 C ATOM 208 CD2 LEU A 24 5.035 -3.712 -2.228 1.00 0.00 C ATOM 0 H LEU A 24 4.556 -4.883 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 24 7.121 -3.931 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.725 -2.733 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.386 -3.848 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 24 5.481 -5.463 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.507 -4.823 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.813 -4.924 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.628 -3.335 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.282 -4.172 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.316 -2.659 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.963 -3.798 -2.406 1.00 0.00 H new ATOM 220 N PRO A 25 7.683 -6.346 -5.818 1.00 0.00 N ATOM 221 CA PRO A 25 8.066 -7.738 -5.583 1.00 0.00 C ATOM 222 C PRO A 25 7.926 -8.121 -4.117 1.00 0.00 C ATOM 223 O PRO A 25 8.920 -8.235 -3.399 1.00 0.00 O ATOM 224 CB PRO A 25 9.533 -7.793 -6.018 1.00 0.00 C ATOM 225 CG PRO A 25 10.010 -6.383 -5.943 1.00 0.00 C ATOM 226 CD PRO A 25 8.820 -5.523 -6.263 1.00 0.00 C ATOM 0 HA PRO A 25 7.431 -8.436 -6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.115 -8.442 -5.363 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.631 -8.190 -7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.400 -6.156 -4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.820 -6.207 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.858 -4.570 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.761 -5.296 -7.328 1.00 0.00 H new ATOM 234 N ILE A 26 6.682 -8.311 -3.679 1.00 0.00 N ATOM 235 CA ILE A 26 6.399 -8.675 -2.296 1.00 0.00 C ATOM 236 C ILE A 26 7.523 -9.523 -1.712 1.00 0.00 C ATOM 237 O ILE A 26 7.793 -10.627 -2.183 1.00 0.00 O ATOM 238 CB ILE A 26 5.057 -9.429 -2.179 1.00 0.00 C ATOM 239 CG1 ILE A 26 3.894 -8.449 -2.333 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.960 -10.162 -0.850 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.773 -7.470 -1.186 1.00 0.00 C ATOM 0 H ILE A 26 5.853 -8.218 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 26 6.327 -7.749 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 26 5.006 -10.170 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.018 -7.894 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.964 -9.012 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.006 -10.685 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.774 -10.882 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.031 -9.444 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.927 -6.806 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.617 -8.017 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.687 -6.881 -1.112 1.00 0.00 H new ATOM 253 N ASP A 27 8.170 -8.983 -0.684 1.00 0.00 N ATOM 254 CA ASP A 27 9.274 -9.650 -0.012 1.00 0.00 C ATOM 255 C ASP A 27 10.232 -8.619 0.575 1.00 0.00 C ATOM 256 O ASP A 27 11.017 -8.927 1.473 1.00 0.00 O ATOM 257 CB ASP A 27 10.025 -10.572 -0.975 1.00 0.00 C ATOM 258 CG ASP A 27 11.374 -11.000 -0.432 1.00 0.00 C ATOM 259 OD1 ASP A 27 11.430 -12.026 0.278 1.00 0.00 O ATOM 260 OD2 ASP A 27 12.375 -10.309 -0.717 1.00 0.00 O ATOM 0 H ASP A 27 7.941 -8.068 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 27 8.863 -10.257 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.419 -11.456 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.165 -10.061 -1.928 1.00 0.00 H new ATOM 265 N VAL A 28 10.156 -7.393 0.063 1.00 0.00 N ATOM 266 CA VAL A 28 11.007 -6.308 0.533 1.00 0.00 C ATOM 267 C VAL A 28 10.877 -6.130 2.039 1.00 0.00 C ATOM 268 O VAL A 28 10.513 -7.061 2.756 1.00 0.00 O ATOM 269 CB VAL A 28 10.662 -4.979 -0.169 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.606 -5.172 -1.677 1.00 0.00 C ATOM 271 CG2 VAL A 28 9.348 -4.418 0.353 1.00 0.00 C ATOM 0 H VAL A 28 9.510 -7.128 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 28 12.035 -6.577 0.290 1.00 0.00 H new ATOM 0 HB VAL A 28 11.449 -4.259 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.361 -4.224 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.575 -5.520 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.842 -5.910 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.125 -3.480 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.547 -5.133 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.429 -4.238 1.425 1.00 0.00 H new ATOM 281 N THR A 29 11.177 -4.930 2.517 1.00 0.00 N ATOM 282 CA THR A 29 11.093 -4.644 3.943 1.00 0.00 C ATOM 283 C THR A 29 9.975 -3.657 4.254 1.00 0.00 C ATOM 284 O THR A 29 9.701 -2.743 3.476 1.00 0.00 O ATOM 285 CB THR A 29 12.421 -4.083 4.485 1.00 0.00 C ATOM 286 OG1 THR A 29 12.740 -2.853 3.823 1.00 0.00 O ATOM 287 CG2 THR A 29 13.551 -5.081 4.285 1.00 0.00 C ATOM 0 H THR A 29 11.479 -4.143 1.943 1.00 0.00 H new ATOM 0 HA THR A 29 10.877 -5.593 4.435 1.00 0.00 H new ATOM 0 HB THR A 29 12.304 -3.900 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.835 -3.014 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.479 -4.663 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.318 -6.005 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.667 -5.291 3.222 1.00 0.00 H new ATOM 295 N GLU A 30 9.338 -3.849 5.403 1.00 0.00 N ATOM 296 CA GLU A 30 8.252 -2.975 5.829 1.00 0.00 C ATOM 297 C GLU A 30 8.773 -1.567 6.089 1.00 0.00 C ATOM 298 O GLU A 30 8.226 -0.589 5.581 1.00 0.00 O ATOM 299 CB GLU A 30 7.587 -3.529 7.091 1.00 0.00 C ATOM 300 CG GLU A 30 7.176 -4.988 6.971 1.00 0.00 C ATOM 301 CD GLU A 30 6.362 -5.462 8.159 1.00 0.00 C ATOM 302 OE1 GLU A 30 6.941 -5.604 9.256 1.00 0.00 O ATOM 303 OE2 GLU A 30 5.146 -5.693 7.991 1.00 0.00 O ATOM 0 H GLU A 30 9.555 -4.602 6.056 1.00 0.00 H new ATOM 0 HA GLU A 30 7.511 -2.932 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.274 -3.421 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.706 -2.930 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.595 -5.124 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.068 -5.607 6.876 1.00 0.00 H new ATOM 310 N GLY A 31 9.837 -1.473 6.880 1.00 0.00 N ATOM 311 CA GLY A 31 10.416 -0.181 7.184 1.00 0.00 C ATOM 312 C GLY A 31 10.460 0.722 5.969 1.00 0.00 C ATOM 313 O GLY A 31 10.409 1.945 6.092 1.00 0.00 O ATOM 0 H GLY A 31 10.306 -2.268 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.836 0.300 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.426 -0.318 7.570 1.00 0.00 H new ATOM 317 N GLU A 32 10.550 0.113 4.791 1.00 0.00 N ATOM 318 CA GLU A 32 10.593 0.864 3.543 1.00 0.00 C ATOM 319 C GLU A 32 9.196 1.331 3.153 1.00 0.00 C ATOM 320 O GLU A 32 8.973 2.513 2.896 1.00 0.00 O ATOM 321 CB GLU A 32 11.189 0.007 2.424 1.00 0.00 C ATOM 322 CG GLU A 32 12.703 -0.119 2.496 1.00 0.00 C ATOM 323 CD GLU A 32 13.292 -0.777 1.263 1.00 0.00 C ATOM 324 OE1 GLU A 32 13.110 -2.002 1.100 1.00 0.00 O ATOM 325 OE2 GLU A 32 13.933 -0.067 0.460 1.00 0.00 O ATOM 0 H GLU A 32 10.595 -0.899 4.675 1.00 0.00 H new ATOM 0 HA GLU A 32 11.226 1.739 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.747 -0.989 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.914 0.438 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.141 0.871 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.974 -0.699 3.378 1.00 0.00 H new ATOM 332 N VAL A 33 8.256 0.392 3.119 1.00 0.00 N ATOM 333 CA VAL A 33 6.877 0.706 2.769 1.00 0.00 C ATOM 334 C VAL A 33 6.223 1.551 3.857 1.00 0.00 C ATOM 335 O VAL A 33 5.746 2.657 3.597 1.00 0.00 O ATOM 336 CB VAL A 33 6.044 -0.572 2.556 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.658 -0.225 2.034 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.758 -1.521 1.606 1.00 0.00 C ATOM 0 H VAL A 33 8.425 -0.592 3.330 1.00 0.00 H new ATOM 0 HA VAL A 33 6.904 1.268 1.836 1.00 0.00 H new ATOM 0 HB VAL A 33 5.929 -1.074 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.084 -1.140 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.147 0.414 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.748 0.300 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.155 -2.418 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.905 -1.030 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.726 -1.795 2.025 1.00 0.00 H new ATOM 348 N ILE A 34 6.208 1.026 5.078 1.00 0.00 N ATOM 349 CA ILE A 34 5.622 1.726 6.204 1.00 0.00 C ATOM 350 C ILE A 34 6.201 3.129 6.342 1.00 0.00 C ATOM 351 O ILE A 34 5.477 4.083 6.625 1.00 0.00 O ATOM 352 CB ILE A 34 5.856 0.952 7.510 1.00 0.00 C ATOM 353 CG1 ILE A 34 5.731 -0.554 7.259 1.00 0.00 C ATOM 354 CG2 ILE A 34 4.870 1.413 8.567 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.242 -1.337 8.457 1.00 0.00 C ATOM 0 H ILE A 34 6.599 0.112 5.308 1.00 0.00 H new ATOM 0 HA ILE A 34 4.551 1.802 6.016 1.00 0.00 H new ATOM 0 HB ILE A 34 6.864 1.152 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.047 -0.718 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.703 -0.943 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.042 0.860 9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.006 2.479 8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.853 1.232 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.180 -2.394 8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.937 -1.205 9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.256 -0.976 8.750 1.00 0.00 H new ATOM 367 N SER A 35 7.509 3.247 6.138 1.00 0.00 N ATOM 368 CA SER A 35 8.182 4.537 6.237 1.00 0.00 C ATOM 369 C SER A 35 7.523 5.560 5.320 1.00 0.00 C ATOM 370 O SER A 35 7.308 6.709 5.705 1.00 0.00 O ATOM 371 CB SER A 35 9.662 4.394 5.880 1.00 0.00 C ATOM 372 OG SER A 35 10.242 5.654 5.589 1.00 0.00 O ATOM 0 H SER A 35 8.123 2.467 5.904 1.00 0.00 H new ATOM 0 HA SER A 35 8.098 4.886 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.195 3.928 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.769 3.734 5.019 1.00 0.00 H new ATOM 0 HG SER A 35 11.189 5.535 5.365 1.00 0.00 H new ATOM 378 N LEU A 36 7.202 5.131 4.104 1.00 0.00 N ATOM 379 CA LEU A 36 6.564 6.006 3.129 1.00 0.00 C ATOM 380 C LEU A 36 5.095 6.223 3.477 1.00 0.00 C ATOM 381 O LEU A 36 4.432 7.086 2.902 1.00 0.00 O ATOM 382 CB LEU A 36 6.684 5.412 1.725 1.00 0.00 C ATOM 383 CG LEU A 36 7.934 5.832 0.950 1.00 0.00 C ATOM 384 CD1 LEU A 36 9.170 5.707 1.825 1.00 0.00 C ATOM 385 CD2 LEU A 36 8.083 4.996 -0.312 1.00 0.00 C ATOM 0 H LEU A 36 7.374 4.182 3.771 1.00 0.00 H new ATOM 0 HA LEU A 36 7.073 6.970 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.672 4.325 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.804 5.699 1.149 1.00 0.00 H new ATOM 0 HG LEU A 36 7.826 6.877 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.050 6.010 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.063 6.349 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.285 4.672 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.977 5.308 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.170 3.943 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.208 5.137 -0.947 1.00 0.00 H new ATOM 397 N GLY A 37 4.593 5.433 4.420 1.00 0.00 N ATOM 398 CA GLY A 37 3.206 5.554 4.827 1.00 0.00 C ATOM 399 C GLY A 37 3.046 6.242 6.169 1.00 0.00 C ATOM 400 O GLY A 37 1.980 6.779 6.474 1.00 0.00 O ATOM 0 H GLY A 37 5.122 4.711 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.657 6.113 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.759 4.561 4.877 1.00 0.00 H new ATOM 404 N LEU A 38 4.102 6.226 6.977 1.00 0.00 N ATOM 405 CA LEU A 38 4.064 6.853 8.291 1.00 0.00 C ATOM 406 C LEU A 38 3.548 8.286 8.198 1.00 0.00 C ATOM 407 O LEU A 38 2.609 8.662 8.900 1.00 0.00 O ATOM 408 CB LEU A 38 5.452 6.830 8.933 1.00 0.00 C ATOM 409 CG LEU A 38 5.631 5.783 10.031 1.00 0.00 C ATOM 410 CD1 LEU A 38 7.052 5.242 10.024 1.00 0.00 C ATOM 411 CD2 LEU A 38 5.286 6.375 11.389 1.00 0.00 C ATOM 0 H LEU A 38 4.992 5.786 6.744 1.00 0.00 H new ATOM 0 HA LEU A 38 3.377 6.284 8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.194 6.651 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.660 7.815 9.352 1.00 0.00 H new ATOM 0 HG LEU A 38 4.950 4.954 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.162 4.497 10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.261 4.782 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.753 6.059 10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.418 5.617 12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.942 7.221 11.595 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.250 6.712 11.386 1.00 0.00 H new ATOM 423 N PRO A 39 4.149 9.105 7.321 1.00 0.00 N ATOM 424 CA PRO A 39 3.736 10.498 7.135 1.00 0.00 C ATOM 425 C PRO A 39 2.283 10.599 6.685 1.00 0.00 C ATOM 426 O PRO A 39 1.624 11.617 6.893 1.00 0.00 O ATOM 427 CB PRO A 39 4.671 11.016 6.036 1.00 0.00 C ATOM 428 CG PRO A 39 5.824 10.070 6.028 1.00 0.00 C ATOM 429 CD PRO A 39 5.268 8.738 6.439 1.00 0.00 C ATOM 0 HA PRO A 39 3.800 11.070 8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.170 11.034 5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.998 12.035 6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.277 10.015 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.602 10.398 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.931 8.159 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.011 8.134 6.960 1.00 0.00 H new ATOM 437 N PHE A 40 1.795 9.528 6.067 1.00 0.00 N ATOM 438 CA PHE A 40 0.422 9.479 5.581 1.00 0.00 C ATOM 439 C PHE A 40 -0.544 9.120 6.705 1.00 0.00 C ATOM 440 O PHE A 40 -1.731 8.897 6.469 1.00 0.00 O ATOM 441 CB PHE A 40 0.307 8.458 4.449 1.00 0.00 C ATOM 442 CG PHE A 40 0.987 8.895 3.185 1.00 0.00 C ATOM 443 CD1 PHE A 40 2.348 8.700 3.016 1.00 0.00 C ATOM 444 CD2 PHE A 40 0.269 9.503 2.168 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.981 9.104 1.856 1.00 0.00 C ATOM 446 CE2 PHE A 40 0.895 9.908 1.005 1.00 0.00 C ATOM 447 CZ PHE A 40 2.253 9.708 0.849 1.00 0.00 C ATOM 0 H PHE A 40 2.333 8.680 5.891 1.00 0.00 H new ATOM 0 HA PHE A 40 0.157 10.467 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.738 7.512 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.747 8.273 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.921 8.227 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.793 9.662 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.043 8.948 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.324 10.380 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.745 10.023 -0.059 1.00 0.00 H new ATOM 457 N GLY A 41 -0.027 9.063 7.928 1.00 0.00 N ATOM 458 CA GLY A 41 -0.858 8.728 9.067 1.00 0.00 C ATOM 459 C GLY A 41 -0.285 7.587 9.880 1.00 0.00 C ATOM 460 O GLY A 41 0.724 7.750 10.565 1.00 0.00 O ATOM 0 H GLY A 41 0.952 9.243 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.968 9.606 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.855 8.459 8.720 1.00 0.00 H new ATOM 464 N LYS A 42 -0.927 6.426 9.804 1.00 0.00 N ATOM 465 CA LYS A 42 -0.468 5.255 10.539 1.00 0.00 C ATOM 466 C LYS A 42 -0.836 3.968 9.807 1.00 0.00 C ATOM 467 O LYS A 42 -1.882 3.886 9.163 1.00 0.00 O ATOM 468 CB LYS A 42 -1.067 5.244 11.947 1.00 0.00 C ATOM 469 CG LYS A 42 -0.126 5.786 13.011 1.00 0.00 C ATOM 470 CD LYS A 42 -0.627 7.104 13.579 1.00 0.00 C ATOM 471 CE LYS A 42 0.040 7.427 14.906 1.00 0.00 C ATOM 472 NZ LYS A 42 -0.445 6.542 16.001 1.00 0.00 N ATOM 0 H LYS A 42 -1.764 6.272 9.242 1.00 0.00 H new ATOM 0 HA LYS A 42 0.618 5.309 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.983 5.835 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.346 4.223 12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.026 5.057 13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.866 5.927 12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.431 7.906 12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.707 7.056 13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.120 7.321 14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.155 8.467 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.171 6.945 16.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.481 6.465 15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.022 5.598 15.897 1.00 0.00 H new ATOM 486 N VAL A 43 0.028 2.965 9.916 1.00 0.00 N ATOM 487 CA VAL A 43 -0.207 1.680 9.269 1.00 0.00 C ATOM 488 C VAL A 43 -0.757 0.662 10.262 1.00 0.00 C ATOM 489 O VAL A 43 -0.005 0.036 11.008 1.00 0.00 O ATOM 490 CB VAL A 43 1.082 1.123 8.637 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.881 -0.317 8.191 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.522 1.994 7.469 1.00 0.00 C ATOM 0 H VAL A 43 0.898 3.017 10.446 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.941 1.850 8.481 1.00 0.00 H new ATOM 0 HB VAL A 43 1.870 1.138 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.803 -0.692 7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.616 -0.931 9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.079 -0.361 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.434 1.586 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.737 2.013 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.710 3.008 7.822 1.00 0.00 H new ATOM 502 N THR A 44 -2.077 0.508 10.269 1.00 0.00 N ATOM 503 CA THR A 44 -2.737 -0.428 11.172 1.00 0.00 C ATOM 504 C THR A 44 -2.825 -1.822 10.558 1.00 0.00 C ATOM 505 O THR A 44 -3.669 -2.629 10.950 1.00 0.00 O ATOM 506 CB THR A 44 -4.155 0.055 11.529 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.588 1.031 10.578 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.192 0.650 12.928 1.00 0.00 C ATOM 0 H THR A 44 -2.712 1.021 9.658 1.00 0.00 H new ATOM 0 HA THR A 44 -2.133 -0.476 12.078 1.00 0.00 H new ATOM 0 HB THR A 44 -4.826 -0.804 11.503 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.861 1.665 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.205 0.983 13.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.887 -0.105 13.653 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.510 1.499 12.980 1.00 0.00 H new ATOM 516 N ASN A 45 -1.950 -2.100 9.597 1.00 0.00 N ATOM 517 CA ASN A 45 -1.933 -3.399 8.933 1.00 0.00 C ATOM 518 C ASN A 45 -0.981 -3.393 7.740 1.00 0.00 C ATOM 519 O ASN A 45 -0.808 -2.371 7.076 1.00 0.00 O ATOM 520 CB ASN A 45 -3.341 -3.778 8.472 1.00 0.00 C ATOM 521 CG ASN A 45 -3.701 -5.208 8.826 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.954 -6.140 8.526 1.00 0.00 O ATOM 523 ND2 ASN A 45 -4.849 -5.388 9.469 1.00 0.00 N ATOM 0 H ASN A 45 -1.244 -1.445 9.261 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.580 -4.139 9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.064 -3.101 8.927 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.415 -3.644 7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.143 -6.328 9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.437 -4.586 9.697 1.00 0.00 H new ATOM 530 N LEU A 46 -0.367 -4.542 7.474 1.00 0.00 N ATOM 531 CA LEU A 46 0.567 -4.673 6.361 1.00 0.00 C ATOM 532 C LEU A 46 0.651 -6.122 5.891 1.00 0.00 C ATOM 533 O LEU A 46 1.379 -6.929 6.467 1.00 0.00 O ATOM 534 CB LEU A 46 1.955 -4.174 6.768 1.00 0.00 C ATOM 535 CG LEU A 46 3.082 -4.522 5.793 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.549 -4.631 4.373 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.190 -3.483 5.869 1.00 0.00 C ATOM 0 H LEU A 46 -0.500 -5.397 8.015 1.00 0.00 H new ATOM 0 HA LEU A 46 0.199 -4.062 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.916 -3.091 6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.201 -4.588 7.746 1.00 0.00 H new ATOM 0 HG LEU A 46 3.495 -5.490 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.366 -4.879 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.791 -5.413 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.108 -3.680 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.984 -3.746 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.788 -2.503 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.593 -3.455 6.881 1.00 0.00 H new ATOM 549 N LEU A 47 -0.099 -6.443 4.841 1.00 0.00 N ATOM 550 CA LEU A 47 -0.108 -7.795 4.294 1.00 0.00 C ATOM 551 C LEU A 47 0.674 -7.861 2.986 1.00 0.00 C ATOM 552 O LEU A 47 0.366 -7.148 2.031 1.00 0.00 O ATOM 553 CB LEU A 47 -1.545 -8.265 4.065 1.00 0.00 C ATOM 554 CG LEU A 47 -1.694 -9.742 3.697 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.027 -10.027 2.360 1.00 0.00 C ATOM 556 CD2 LEU A 47 -1.106 -10.624 4.788 1.00 0.00 C ATOM 0 H LEU A 47 -0.708 -5.786 4.353 1.00 0.00 H new ATOM 0 HA LEU A 47 0.373 -8.454 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.122 -8.072 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.986 -7.662 3.271 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.756 -9.971 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.142 -11.082 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.493 -9.420 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.033 -9.783 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.220 -11.672 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.047 -10.395 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.628 -10.439 5.727 1.00 0.00 H new ATOM 568 N MET A 48 1.686 -8.722 2.951 1.00 0.00 N ATOM 569 CA MET A 48 2.512 -8.882 1.759 1.00 0.00 C ATOM 570 C MET A 48 2.123 -10.142 0.994 1.00 0.00 C ATOM 571 O MET A 48 2.251 -11.255 1.504 1.00 0.00 O ATOM 572 CB MET A 48 3.992 -8.943 2.144 1.00 0.00 C ATOM 573 CG MET A 48 4.641 -7.576 2.291 1.00 0.00 C ATOM 574 SD MET A 48 6.351 -7.677 2.853 1.00 0.00 S ATOM 575 CE MET A 48 7.131 -6.475 1.779 1.00 0.00 C ATOM 0 H MET A 48 1.954 -9.319 3.733 1.00 0.00 H new ATOM 0 HA MET A 48 2.346 -8.020 1.113 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.092 -9.486 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.532 -9.513 1.388 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.607 -7.057 1.333 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.065 -6.979 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.210 -6.629 1.784 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.752 -6.594 0.764 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.907 -5.469 2.135 1.00 0.00 H new ATOM 585 N LEU A 49 1.645 -9.960 -0.233 1.00 0.00 N ATOM 586 CA LEU A 49 1.237 -11.083 -1.069 1.00 0.00 C ATOM 587 C LEU A 49 2.412 -11.607 -1.888 1.00 0.00 C ATOM 588 O LEU A 49 2.778 -11.026 -2.911 1.00 0.00 O ATOM 589 CB LEU A 49 0.097 -10.667 -1.999 1.00 0.00 C ATOM 590 CG LEU A 49 -1.002 -11.715 -2.185 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.262 -11.074 -2.745 1.00 0.00 C ATOM 592 CD2 LEU A 49 -0.520 -12.833 -3.097 1.00 0.00 C ATOM 0 H LEU A 49 1.531 -9.046 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 49 0.889 -11.882 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.354 -9.754 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.515 -10.424 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.240 -12.143 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.032 -11.835 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.617 -10.308 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.041 -10.619 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.313 -13.570 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.255 -12.420 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.355 -13.311 -2.656 1.00 0.00 H new ATOM 604 N LYS A 50 2.999 -12.710 -1.431 1.00 0.00 N ATOM 605 CA LYS A 50 4.134 -13.316 -2.120 1.00 0.00 C ATOM 606 C LYS A 50 3.666 -14.189 -3.280 1.00 0.00 C ATOM 607 O LYS A 50 4.109 -15.329 -3.429 1.00 0.00 O ATOM 608 CB LYS A 50 4.964 -14.149 -1.143 1.00 0.00 C ATOM 609 CG LYS A 50 6.141 -13.393 -0.547 1.00 0.00 C ATOM 610 CD LYS A 50 5.748 -12.662 0.727 1.00 0.00 C ATOM 611 CE LYS A 50 6.777 -11.609 1.105 1.00 0.00 C ATOM 612 NZ LYS A 50 7.744 -12.115 2.119 1.00 0.00 N ATOM 0 H LYS A 50 2.707 -13.202 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 50 4.753 -12.513 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.319 -14.496 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.335 -15.035 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.951 -14.090 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.521 -12.677 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.775 -12.189 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.643 -13.379 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.318 -11.294 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.268 -10.728 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.249 -11.313 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.231 -12.636 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.428 -12.749 1.660 1.00 0.00 H new ATOM 626 N GLY A 51 2.773 -13.647 -4.101 1.00 0.00 N ATOM 627 CA GLY A 51 2.263 -14.387 -5.239 1.00 0.00 C ATOM 628 C GLY A 51 2.350 -13.592 -6.526 1.00 0.00 C ATOM 629 O GLY A 51 3.021 -14.001 -7.474 1.00 0.00 O ATOM 0 H GLY A 51 2.393 -12.706 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.825 -15.314 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.225 -14.663 -5.054 1.00 0.00 H new ATOM 633 N LYS A 52 1.673 -12.449 -6.556 1.00 0.00 N ATOM 634 CA LYS A 52 1.678 -11.587 -7.731 1.00 0.00 C ATOM 635 C LYS A 52 2.493 -10.324 -7.471 1.00 0.00 C ATOM 636 O LYS A 52 2.438 -9.367 -8.242 1.00 0.00 O ATOM 637 CB LYS A 52 0.248 -11.215 -8.124 1.00 0.00 C ATOM 638 CG LYS A 52 0.162 -10.388 -9.396 1.00 0.00 C ATOM 639 CD LYS A 52 -1.205 -10.511 -10.049 1.00 0.00 C ATOM 640 CE LYS A 52 -1.307 -11.772 -10.892 1.00 0.00 C ATOM 641 NZ LYS A 52 -1.931 -11.504 -12.217 1.00 0.00 N ATOM 0 H LYS A 52 1.113 -12.098 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 52 2.140 -12.135 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.333 -12.128 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.211 -10.658 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.363 -9.342 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.931 -10.714 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.977 -10.523 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.391 -9.638 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.312 -12.193 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.894 -12.519 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.983 -12.388 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.890 -11.126 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.357 -10.810 -12.737 1.00 0.00 H new ATOM 655 N ASN A 53 3.246 -10.330 -6.375 1.00 0.00 N ATOM 656 CA ASN A 53 4.073 -9.186 -6.007 1.00 0.00 C ATOM 657 C ASN A 53 3.213 -7.958 -5.736 1.00 0.00 C ATOM 658 O ASN A 53 3.291 -6.961 -6.453 1.00 0.00 O ATOM 659 CB ASN A 53 5.086 -8.883 -7.111 1.00 0.00 C ATOM 660 CG ASN A 53 6.119 -9.983 -7.266 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.429 -10.407 -8.379 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.659 -10.455 -6.145 1.00 0.00 N ATOM 0 H ASN A 53 3.300 -11.115 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 53 4.611 -9.438 -5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.560 -8.747 -8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.591 -7.943 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.358 -11.196 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.374 -10.075 -5.242 1.00 0.00 H new ATOM 669 N GLN A 54 2.393 -8.039 -4.693 1.00 0.00 N ATOM 670 CA GLN A 54 1.518 -6.933 -4.323 1.00 0.00 C ATOM 671 C GLN A 54 1.304 -6.892 -2.814 1.00 0.00 C ATOM 672 O GLN A 54 1.041 -7.918 -2.186 1.00 0.00 O ATOM 673 CB GLN A 54 0.170 -7.062 -5.036 1.00 0.00 C ATOM 674 CG GLN A 54 0.244 -6.789 -6.530 1.00 0.00 C ATOM 675 CD GLN A 54 -1.000 -7.247 -7.267 1.00 0.00 C ATOM 676 OE1 GLN A 54 -1.959 -7.719 -6.657 1.00 0.00 O ATOM 677 NE2 GLN A 54 -0.988 -7.112 -8.589 1.00 0.00 N ATOM 0 H GLN A 54 2.316 -8.858 -4.090 1.00 0.00 H new ATOM 0 HA GLN A 54 1.998 -6.004 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.221 -8.067 -4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.539 -6.369 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.387 -5.721 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.115 -7.295 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.171 -6.715 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.796 -7.405 -9.139 1.00 0.00 H new ATOM 686 N ALA A 55 1.413 -5.700 -2.236 1.00 0.00 N ATOM 687 CA ALA A 55 1.227 -5.528 -0.802 1.00 0.00 C ATOM 688 C ALA A 55 -0.068 -4.780 -0.512 1.00 0.00 C ATOM 689 O ALA A 55 -0.590 -4.069 -1.371 1.00 0.00 O ATOM 690 CB ALA A 55 2.410 -4.790 -0.195 1.00 0.00 C ATOM 0 H ALA A 55 1.629 -4.840 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 55 1.163 -6.516 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.253 -4.671 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.322 -5.361 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.504 -3.808 -0.659 1.00 0.00 H new ATOM 696 N PHE A 56 -0.587 -4.949 0.697 1.00 0.00 N ATOM 697 CA PHE A 56 -1.827 -4.292 1.089 1.00 0.00 C ATOM 698 C PHE A 56 -1.763 -3.808 2.534 1.00 0.00 C ATOM 699 O PHE A 56 -1.664 -4.609 3.464 1.00 0.00 O ATOM 700 CB PHE A 56 -3.008 -5.247 0.912 1.00 0.00 C ATOM 701 CG PHE A 56 -3.002 -5.975 -0.402 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.966 -6.838 -0.730 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.031 -5.796 -1.312 1.00 0.00 C ATOM 704 CE1 PHE A 56 -1.959 -7.506 -1.939 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.030 -6.462 -2.522 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.992 -7.319 -2.836 1.00 0.00 C ATOM 0 H PHE A 56 -0.170 -5.534 1.421 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.965 -3.424 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.999 -5.976 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.937 -4.683 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.156 -6.989 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.844 -5.127 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.146 -8.174 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.839 -6.313 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.989 -7.841 -3.781 1.00 0.00 H new ATOM 716 N ILE A 57 -1.828 -2.494 2.714 1.00 0.00 N ATOM 717 CA ILE A 57 -1.787 -1.903 4.046 1.00 0.00 C ATOM 718 C ILE A 57 -3.104 -1.210 4.371 1.00 0.00 C ATOM 719 O ILE A 57 -3.685 -0.530 3.525 1.00 0.00 O ATOM 720 CB ILE A 57 -0.635 -0.889 4.185 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.896 0.344 3.318 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.687 -1.539 3.810 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.051 1.540 3.699 1.00 0.00 C ATOM 0 H ILE A 57 -1.909 -1.818 1.955 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.620 -2.719 4.749 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.579 -0.567 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.705 0.092 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.949 0.615 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.492 -0.812 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.876 -2.385 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.642 -1.887 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.289 2.377 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.259 1.818 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.004 1.287 3.597 1.00 0.00 H new ATOM 735 N GLU A 58 -3.572 -1.388 5.600 1.00 0.00 N ATOM 736 CA GLU A 58 -4.824 -0.782 6.033 1.00 0.00 C ATOM 737 C GLU A 58 -4.566 0.414 6.943 1.00 0.00 C ATOM 738 O GLU A 58 -4.251 0.251 8.122 1.00 0.00 O ATOM 739 CB GLU A 58 -5.690 -1.812 6.759 1.00 0.00 C ATOM 740 CG GLU A 58 -7.137 -1.380 6.928 1.00 0.00 C ATOM 741 CD GLU A 58 -7.713 -1.785 8.271 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.057 -2.571 8.986 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.821 -1.317 8.607 1.00 0.00 O ATOM 0 H GLU A 58 -3.104 -1.947 6.314 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.353 -0.433 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.662 -2.751 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.261 -2.007 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.204 -0.298 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.739 -1.818 6.132 1.00 0.00 H new ATOM 750 N MET A 59 -4.706 1.614 6.390 1.00 0.00 N ATOM 751 CA MET A 59 -4.493 2.834 7.158 1.00 0.00 C ATOM 752 C MET A 59 -5.506 2.931 8.294 1.00 0.00 C ATOM 753 O MET A 59 -6.710 2.796 8.080 1.00 0.00 O ATOM 754 CB MET A 59 -4.594 4.059 6.248 1.00 0.00 C ATOM 755 CG MET A 59 -3.867 3.887 4.924 1.00 0.00 C ATOM 756 SD MET A 59 -2.703 5.224 4.586 1.00 0.00 S ATOM 757 CE MET A 59 -1.643 5.135 6.028 1.00 0.00 C ATOM 0 H MET A 59 -4.965 1.767 5.415 1.00 0.00 H new ATOM 0 HA MET A 59 -3.492 2.803 7.589 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.645 4.272 6.052 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.185 4.925 6.769 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.331 2.938 4.930 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.598 3.835 4.117 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.268 6.131 6.266 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.211 4.749 6.874 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.803 4.471 5.822 1.00 0.00 H new ATOM 767 N ASN A 60 -5.005 3.153 9.504 1.00 0.00 N ATOM 768 CA ASN A 60 -5.860 3.253 10.681 1.00 0.00 C ATOM 769 C ASN A 60 -7.038 4.187 10.432 1.00 0.00 C ATOM 770 O ASN A 60 -8.158 3.919 10.870 1.00 0.00 O ATOM 771 CB ASN A 60 -5.060 3.745 11.888 1.00 0.00 C ATOM 772 CG ASN A 60 -3.644 3.201 11.929 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.091 2.782 10.913 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.049 3.214 13.115 1.00 0.00 N ATOM 0 H ASN A 60 -4.010 3.267 9.696 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.247 2.256 10.890 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.023 4.834 11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.580 3.457 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.095 2.867 13.211 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.546 3.571 13.931 1.00 0.00 H new ATOM 781 N THR A 61 -6.782 5.289 9.736 1.00 0.00 N ATOM 782 CA THR A 61 -7.825 6.262 9.443 1.00 0.00 C ATOM 783 C THR A 61 -8.045 6.400 7.942 1.00 0.00 C ATOM 784 O THR A 61 -7.208 5.985 7.140 1.00 0.00 O ATOM 785 CB THR A 61 -7.479 7.642 10.027 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.966 8.678 9.164 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.976 7.787 10.204 1.00 0.00 C ATOM 0 H THR A 61 -5.863 5.530 9.365 1.00 0.00 H new ATOM 0 HA THR A 61 -8.740 5.895 9.907 1.00 0.00 H new ATOM 0 HB THR A 61 -7.957 7.731 11.003 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.743 9.553 9.545 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.752 8.770 10.618 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.614 7.016 10.883 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.484 7.680 9.237 1.00 0.00 H new ATOM 795 N GLU A 62 -9.177 6.985 7.568 1.00 0.00 N ATOM 796 CA GLU A 62 -9.504 7.177 6.162 1.00 0.00 C ATOM 797 C GLU A 62 -8.625 8.257 5.544 1.00 0.00 C ATOM 798 O GLU A 62 -8.100 8.088 4.444 1.00 0.00 O ATOM 799 CB GLU A 62 -10.980 7.549 6.004 1.00 0.00 C ATOM 800 CG GLU A 62 -11.899 6.346 5.866 1.00 0.00 C ATOM 801 CD GLU A 62 -12.638 6.027 7.150 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.148 6.418 8.230 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.706 5.383 7.076 1.00 0.00 O ATOM 0 H GLU A 62 -9.882 7.334 8.218 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.318 6.239 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.292 8.137 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.094 8.185 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.622 6.535 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.313 5.478 5.563 1.00 0.00 H new ATOM 810 N GLU A 63 -8.463 9.364 6.260 1.00 0.00 N ATOM 811 CA GLU A 63 -7.640 10.465 5.779 1.00 0.00 C ATOM 812 C GLU A 63 -6.237 9.973 5.443 1.00 0.00 C ATOM 813 O GLU A 63 -5.577 10.504 4.551 1.00 0.00 O ATOM 814 CB GLU A 63 -7.569 11.578 6.826 1.00 0.00 C ATOM 815 CG GLU A 63 -8.617 12.662 6.633 1.00 0.00 C ATOM 816 CD GLU A 63 -8.548 13.737 7.700 1.00 0.00 C ATOM 817 OE1 GLU A 63 -7.661 13.648 8.575 1.00 0.00 O ATOM 818 OE2 GLU A 63 -9.380 14.666 7.661 1.00 0.00 O ATOM 0 H GLU A 63 -8.890 9.522 7.173 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.098 10.865 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.688 11.141 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.579 12.032 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.485 13.120 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.608 12.209 6.642 1.00 0.00 H new ATOM 825 N ALA A 64 -5.793 8.947 6.162 1.00 0.00 N ATOM 826 CA ALA A 64 -4.474 8.373 5.939 1.00 0.00 C ATOM 827 C ALA A 64 -4.422 7.651 4.598 1.00 0.00 C ATOM 828 O ALA A 64 -3.482 7.823 3.822 1.00 0.00 O ATOM 829 CB ALA A 64 -4.113 7.418 7.070 1.00 0.00 C ATOM 0 H ALA A 64 -6.329 8.497 6.904 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.745 9.183 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.124 6.997 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.109 7.959 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.847 6.614 7.115 1.00 0.00 H new ATOM 835 N ALA A 65 -5.443 6.841 4.334 1.00 0.00 N ATOM 836 CA ALA A 65 -5.523 6.087 3.088 1.00 0.00 C ATOM 837 C ALA A 65 -5.494 7.015 1.877 1.00 0.00 C ATOM 838 O ALA A 65 -4.607 6.917 1.030 1.00 0.00 O ATOM 839 CB ALA A 65 -6.783 5.236 3.070 1.00 0.00 C ATOM 0 H ALA A 65 -6.228 6.690 4.968 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.652 5.434 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.832 4.678 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.763 4.539 3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.658 5.880 3.154 1.00 0.00 H new ATOM 845 N ASN A 66 -6.473 7.910 1.799 1.00 0.00 N ATOM 846 CA ASN A 66 -6.564 8.850 0.688 1.00 0.00 C ATOM 847 C ASN A 66 -5.187 9.411 0.332 1.00 0.00 C ATOM 848 O ASN A 66 -4.725 9.275 -0.801 1.00 0.00 O ATOM 849 CB ASN A 66 -7.555 9.980 1.029 1.00 0.00 C ATOM 850 CG ASN A 66 -6.884 11.302 1.363 1.00 0.00 C ATOM 851 OD1 ASN A 66 -6.065 11.809 0.596 1.00 0.00 O ATOM 852 ND2 ASN A 66 -7.233 11.868 2.512 1.00 0.00 N ATOM 0 H ASN A 66 -7.215 8.004 2.492 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.937 8.319 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.228 10.128 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.168 9.670 1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.818 12.758 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.916 11.413 3.118 1.00 0.00 H new ATOM 859 N THR A 67 -4.540 10.043 1.306 1.00 0.00 N ATOM 860 CA THR A 67 -3.220 10.628 1.096 1.00 0.00 C ATOM 861 C THR A 67 -2.261 9.622 0.467 1.00 0.00 C ATOM 862 O THR A 67 -1.621 9.911 -0.545 1.00 0.00 O ATOM 863 CB THR A 67 -2.618 11.141 2.416 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.567 11.971 3.099 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.342 11.929 2.160 1.00 0.00 C ATOM 0 H THR A 67 -4.909 10.163 2.249 1.00 0.00 H new ATOM 0 HA THR A 67 -3.353 11.468 0.415 1.00 0.00 H new ATOM 0 HB THR A 67 -2.376 10.279 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.189 11.408 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.935 12.281 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.611 11.288 1.667 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.564 12.784 1.521 1.00 0.00 H new ATOM 873 N MET A 68 -2.163 8.444 1.072 1.00 0.00 N ATOM 874 CA MET A 68 -1.279 7.397 0.573 1.00 0.00 C ATOM 875 C MET A 68 -1.241 7.392 -0.952 1.00 0.00 C ATOM 876 O MET A 68 -0.183 7.567 -1.557 1.00 0.00 O ATOM 877 CB MET A 68 -1.731 6.029 1.088 1.00 0.00 C ATOM 878 CG MET A 68 -0.618 4.993 1.124 1.00 0.00 C ATOM 879 SD MET A 68 0.873 5.603 1.935 1.00 0.00 S ATOM 880 CE MET A 68 2.085 4.422 1.347 1.00 0.00 C ATOM 0 H MET A 68 -2.686 8.190 1.910 1.00 0.00 H new ATOM 0 HA MET A 68 -0.274 7.603 0.941 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.140 6.145 2.092 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.538 5.661 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.972 4.103 1.645 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.375 4.691 0.105 1.00 0.00 H new ATOM 0 HE1 MET A 68 3.033 4.589 1.858 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.736 3.410 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.224 4.547 0.273 1.00 0.00 H new ATOM 890 N VAL A 69 -2.399 7.184 -1.568 1.00 0.00 N ATOM 891 CA VAL A 69 -2.496 7.150 -3.022 1.00 0.00 C ATOM 892 C VAL A 69 -2.515 8.556 -3.612 1.00 0.00 C ATOM 893 O VAL A 69 -2.119 8.763 -4.759 1.00 0.00 O ATOM 894 CB VAL A 69 -3.760 6.398 -3.481 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.921 6.495 -4.990 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.708 4.946 -3.034 1.00 0.00 C ATOM 0 H VAL A 69 -3.284 7.036 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.613 6.623 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.628 6.866 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.819 5.958 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.008 7.542 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.051 6.055 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.609 4.430 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.832 4.463 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.646 4.902 -1.947 1.00 0.00 H new ATOM 906 N ASN A 70 -2.980 9.520 -2.825 1.00 0.00 N ATOM 907 CA ASN A 70 -3.052 10.906 -3.276 1.00 0.00 C ATOM 908 C ASN A 70 -1.674 11.425 -3.677 1.00 0.00 C ATOM 909 O ASN A 70 -1.438 11.752 -4.840 1.00 0.00 O ATOM 910 CB ASN A 70 -3.643 11.793 -2.179 1.00 0.00 C ATOM 911 CG ASN A 70 -4.767 12.672 -2.690 1.00 0.00 C ATOM 912 OD1 ASN A 70 -5.054 12.700 -3.886 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.410 13.398 -1.782 1.00 0.00 N ATOM 0 H ASN A 70 -3.312 9.368 -1.873 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.701 10.940 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.016 11.165 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.857 12.421 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.175 14.010 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.139 13.344 -0.800 1.00 0.00 H new ATOM 920 N TYR A 71 -0.769 11.499 -2.707 1.00 0.00 N ATOM 921 CA TYR A 71 0.584 11.981 -2.961 1.00 0.00 C ATOM 922 C TYR A 71 1.330 11.046 -3.905 1.00 0.00 C ATOM 923 O TYR A 71 2.119 11.489 -4.740 1.00 0.00 O ATOM 924 CB TYR A 71 1.356 12.118 -1.647 1.00 0.00 C ATOM 925 CG TYR A 71 2.732 12.721 -1.817 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.906 14.098 -1.872 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.858 11.913 -1.923 1.00 0.00 C ATOM 928 CE1 TYR A 71 4.161 14.653 -2.028 1.00 0.00 C ATOM 929 CE2 TYR A 71 5.117 12.462 -2.079 1.00 0.00 C ATOM 930 CZ TYR A 71 5.263 13.831 -2.131 1.00 0.00 C ATOM 931 OH TYR A 71 6.515 14.380 -2.286 1.00 0.00 O ATOM 0 H TYR A 71 -0.947 11.232 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 71 0.508 12.960 -3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.780 12.736 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.453 11.134 -1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.045 14.746 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.748 10.839 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.279 15.726 -2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.982 11.821 -2.160 1.00 0.00 H new ATOM 0 HH TYR A 71 7.182 13.664 -2.342 1.00 0.00 H new ATOM 941 N TYR A 72 1.078 9.748 -3.767 1.00 0.00 N ATOM 942 CA TYR A 72 1.730 8.751 -4.608 1.00 0.00 C ATOM 943 C TYR A 72 0.941 8.520 -5.893 1.00 0.00 C ATOM 944 O TYR A 72 1.100 7.493 -6.554 1.00 0.00 O ATOM 945 CB TYR A 72 1.885 7.435 -3.845 1.00 0.00 C ATOM 946 CG TYR A 72 2.825 7.530 -2.663 1.00 0.00 C ATOM 947 CD1 TYR A 72 4.034 8.207 -2.766 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.502 6.945 -1.445 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.895 8.297 -1.688 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.358 7.030 -0.363 1.00 0.00 C ATOM 951 CZ TYR A 72 4.553 7.708 -0.490 1.00 0.00 C ATOM 952 OH TYR A 72 5.408 7.796 0.585 1.00 0.00 O ATOM 0 H TYR A 72 0.428 9.363 -3.082 1.00 0.00 H new ATOM 0 HA TYR A 72 2.718 9.127 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.905 7.110 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.250 6.669 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.305 8.670 -3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.567 6.415 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.831 8.826 -1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.093 6.568 0.577 1.00 0.00 H new ATOM 0 HH TYR A 72 4.942 7.509 1.398 1.00 0.00 H new ATOM 962 N THR A 73 0.092 9.481 -6.244 1.00 0.00 N ATOM 963 CA THR A 73 -0.716 9.382 -7.452 1.00 0.00 C ATOM 964 C THR A 73 0.153 9.481 -8.701 1.00 0.00 C ATOM 965 O THR A 73 -0.011 8.711 -9.647 1.00 0.00 O ATOM 966 CB THR A 73 -1.792 10.483 -7.501 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.625 10.406 -6.338 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.647 10.348 -8.753 1.00 0.00 C ATOM 0 H THR A 73 -0.053 10.337 -5.708 1.00 0.00 H new ATOM 0 HA THR A 73 -1.205 8.408 -7.427 1.00 0.00 H new ATOM 0 HB THR A 73 -1.290 11.450 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.557 9.511 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.400 11.136 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.015 10.435 -9.637 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.139 9.376 -8.754 1.00 0.00 H new ATOM 976 N SER A 74 1.079 10.434 -8.694 1.00 0.00 N ATOM 977 CA SER A 74 1.979 10.635 -9.824 1.00 0.00 C ATOM 978 C SER A 74 3.416 10.309 -9.435 1.00 0.00 C ATOM 979 O SER A 74 4.162 9.714 -10.213 1.00 0.00 O ATOM 980 CB SER A 74 1.888 12.078 -10.325 1.00 0.00 C ATOM 981 OG SER A 74 2.618 12.247 -11.528 1.00 0.00 O ATOM 0 H SER A 74 1.226 11.080 -7.918 1.00 0.00 H new ATOM 0 HA SER A 74 1.675 9.961 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.844 12.344 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.274 12.756 -9.563 1.00 0.00 H new ATOM 0 HG SER A 74 2.543 13.177 -11.828 1.00 0.00 H new ATOM 987 N VAL A 75 3.798 10.700 -8.223 1.00 0.00 N ATOM 988 CA VAL A 75 5.144 10.449 -7.726 1.00 0.00 C ATOM 989 C VAL A 75 5.277 9.020 -7.211 1.00 0.00 C ATOM 990 O VAL A 75 4.724 8.671 -6.168 1.00 0.00 O ATOM 991 CB VAL A 75 5.519 11.426 -6.596 1.00 0.00 C ATOM 992 CG1 VAL A 75 6.804 10.985 -5.910 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.653 12.841 -7.137 1.00 0.00 C ATOM 0 H VAL A 75 3.192 11.193 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 75 5.825 10.599 -8.564 1.00 0.00 H new ATOM 0 HB VAL A 75 4.720 11.419 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.052 11.688 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.667 9.991 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.615 10.960 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.918 13.518 -6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.431 12.867 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.705 13.154 -7.575 1.00 0.00 H new ATOM 1003 N THR A 76 6.014 8.194 -7.949 1.00 0.00 N ATOM 1004 CA THR A 76 6.217 6.808 -7.569 1.00 0.00 C ATOM 1005 C THR A 76 7.500 6.643 -6.766 1.00 0.00 C ATOM 1006 O THR A 76 8.587 6.977 -7.238 1.00 0.00 O ATOM 1007 CB THR A 76 6.279 5.895 -8.808 1.00 0.00 C ATOM 1008 OG1 THR A 76 4.954 5.622 -9.283 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.984 4.588 -8.482 1.00 0.00 C ATOM 0 H THR A 76 6.480 8.466 -8.815 1.00 0.00 H new ATOM 0 HA THR A 76 5.366 6.517 -6.952 1.00 0.00 H new ATOM 0 HB THR A 76 6.844 6.411 -9.584 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.971 4.832 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.016 3.960 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.001 4.796 -8.149 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.442 4.070 -7.691 1.00 0.00 H new ATOM 1017 N PRO A 77 7.390 6.111 -5.544 1.00 0.00 N ATOM 1018 CA PRO A 77 8.523 5.886 -4.678 1.00 0.00 C ATOM 1019 C PRO A 77 9.035 4.451 -4.759 1.00 0.00 C ATOM 1020 O PRO A 77 8.303 3.505 -4.472 1.00 0.00 O ATOM 1021 CB PRO A 77 7.926 6.168 -3.302 1.00 0.00 C ATOM 1022 CG PRO A 77 6.466 5.828 -3.425 1.00 0.00 C ATOM 1023 CD PRO A 77 6.150 5.682 -4.893 1.00 0.00 C ATOM 0 HA PRO A 77 9.386 6.502 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.407 5.563 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.064 7.212 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.243 4.904 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.852 6.610 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.895 4.654 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.304 6.304 -5.187 1.00 0.00 H new ATOM 1031 N VAL A 78 10.294 4.296 -5.152 1.00 0.00 N ATOM 1032 CA VAL A 78 10.894 2.974 -5.268 1.00 0.00 C ATOM 1033 C VAL A 78 11.539 2.543 -3.955 1.00 0.00 C ATOM 1034 O VAL A 78 11.512 3.276 -2.966 1.00 0.00 O ATOM 1035 CB VAL A 78 11.945 2.923 -6.403 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.497 3.775 -7.580 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.317 3.368 -5.909 1.00 0.00 C ATOM 0 H VAL A 78 10.916 5.067 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 78 10.088 2.282 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 78 12.031 1.888 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.247 3.728 -8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.547 3.400 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.376 4.809 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 78 14.032 3.321 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.256 4.392 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.645 2.710 -5.104 1.00 0.00 H new ATOM 1047 N LEU A 79 12.123 1.351 -3.958 1.00 0.00 N ATOM 1048 CA LEU A 79 12.782 0.817 -2.775 1.00 0.00 C ATOM 1049 C LEU A 79 14.051 0.064 -3.159 1.00 0.00 C ATOM 1050 O LEU A 79 14.054 -0.730 -4.099 1.00 0.00 O ATOM 1051 CB LEU A 79 11.822 -0.074 -1.991 1.00 0.00 C ATOM 1052 CG LEU A 79 11.945 -1.573 -2.230 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.832 -1.900 -3.710 1.00 0.00 C ATOM 1054 CD2 LEU A 79 13.243 -2.115 -1.652 1.00 0.00 C ATOM 0 H LEU A 79 12.153 0.735 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 79 13.073 1.647 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.970 0.116 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.802 0.228 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 79 11.119 -2.061 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.923 -2.977 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.864 -1.565 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.627 -1.393 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.304 -3.187 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.089 -1.616 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.268 -1.930 -0.578 1.00 0.00 H new ATOM 1066 N ARG A 80 15.136 0.335 -2.440 1.00 0.00 N ATOM 1067 CA ARG A 80 16.415 -0.306 -2.721 1.00 0.00 C ATOM 1068 C ARG A 80 16.595 -0.500 -4.223 1.00 0.00 C ATOM 1069 O ARG A 80 17.242 -1.449 -4.666 1.00 0.00 O ATOM 1070 CB ARG A 80 16.510 -1.654 -2.003 1.00 0.00 C ATOM 1071 CG ARG A 80 16.914 -1.539 -0.543 1.00 0.00 C ATOM 1072 CD ARG A 80 18.207 -2.287 -0.262 1.00 0.00 C ATOM 1073 NE ARG A 80 19.310 -1.380 0.042 1.00 0.00 N ATOM 1074 CZ ARG A 80 20.589 -1.686 -0.148 1.00 0.00 C ATOM 1075 NH1 ARG A 80 20.924 -2.871 -0.640 1.00 0.00 N ATOM 1076 NH2 ARG A 80 21.536 -0.808 0.153 1.00 0.00 N ATOM 0 H ARG A 80 15.155 0.993 -1.660 1.00 0.00 H new ATOM 0 HA ARG A 80 17.210 0.342 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 80 15.546 -2.158 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.233 -2.283 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 80 17.036 -0.488 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.119 -1.936 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.057 -2.968 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.468 -2.897 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 80 19.086 -0.460 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.199 -3.550 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.906 -3.104 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.283 0.105 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.517 -1.046 0.006 1.00 0.00 H new ATOM 1090 N GLY A 81 16.015 0.410 -5.001 1.00 0.00 N ATOM 1091 CA GLY A 81 16.115 0.331 -6.445 1.00 0.00 C ATOM 1092 C GLY A 81 15.056 -0.562 -7.061 1.00 0.00 C ATOM 1093 O GLY A 81 15.370 -1.459 -7.844 1.00 0.00 O ATOM 0 H GLY A 81 15.476 1.203 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.028 1.333 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.102 -0.044 -6.716 1.00 0.00 H new ATOM 1097 N GLN A 82 13.798 -0.313 -6.715 1.00 0.00 N ATOM 1098 CA GLN A 82 12.689 -1.096 -7.248 1.00 0.00 C ATOM 1099 C GLN A 82 11.394 -0.292 -7.216 1.00 0.00 C ATOM 1100 O GLN A 82 10.725 -0.208 -6.185 1.00 0.00 O ATOM 1101 CB GLN A 82 12.521 -2.392 -6.454 1.00 0.00 C ATOM 1102 CG GLN A 82 12.627 -3.645 -7.308 1.00 0.00 C ATOM 1103 CD GLN A 82 13.274 -4.801 -6.568 1.00 0.00 C ATOM 1104 OE1 GLN A 82 13.475 -4.741 -5.356 1.00 0.00 O ATOM 1105 NE2 GLN A 82 13.602 -5.861 -7.298 1.00 0.00 N ATOM 0 H GLN A 82 13.520 0.425 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 82 12.917 -1.344 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.279 -2.430 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.551 -2.381 -5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.631 -3.941 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.206 -3.422 -8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.416 -5.867 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.039 -6.669 -6.856 1.00 0.00 H new ATOM 1114 N PRO A 83 11.029 0.317 -8.353 1.00 0.00 N ATOM 1115 CA PRO A 83 9.813 1.129 -8.466 1.00 0.00 C ATOM 1116 C PRO A 83 8.560 0.372 -8.042 1.00 0.00 C ATOM 1117 O PRO A 83 8.084 -0.512 -8.755 1.00 0.00 O ATOM 1118 CB PRO A 83 9.748 1.473 -9.957 1.00 0.00 C ATOM 1119 CG PRO A 83 11.155 1.361 -10.435 1.00 0.00 C ATOM 1120 CD PRO A 83 11.782 0.267 -9.618 1.00 0.00 C ATOM 0 HA PRO A 83 9.850 2.001 -7.813 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.092 0.787 -10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.355 2.478 -10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.188 1.123 -11.498 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.689 2.302 -10.302 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.687 -0.704 -10.105 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.846 0.442 -9.460 1.00 0.00 H new ATOM 1128 N ILE A 84 8.024 0.730 -6.879 1.00 0.00 N ATOM 1129 CA ILE A 84 6.820 0.091 -6.364 1.00 0.00 C ATOM 1130 C ILE A 84 5.682 1.099 -6.249 1.00 0.00 C ATOM 1131 O ILE A 84 5.696 1.971 -5.380 1.00 0.00 O ATOM 1132 CB ILE A 84 7.068 -0.559 -4.986 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.645 0.461 -4.002 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.004 -1.750 -5.125 1.00 0.00 C ATOM 1135 CD1 ILE A 84 8.129 -0.156 -2.705 1.00 0.00 C ATOM 0 H ILE A 84 8.405 1.459 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 84 6.543 -0.690 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 84 6.113 -0.909 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.475 0.984 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.884 1.208 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.170 -2.199 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.557 -2.488 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.956 -1.418 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.525 0.625 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.298 -0.655 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.913 -0.883 -2.918 1.00 0.00 H new ATOM 1147 N TYR A 85 4.702 0.980 -7.139 1.00 0.00 N ATOM 1148 CA TYR A 85 3.558 1.886 -7.148 1.00 0.00 C ATOM 1149 C TYR A 85 2.639 1.630 -5.959 1.00 0.00 C ATOM 1150 O TYR A 85 2.521 0.501 -5.482 1.00 0.00 O ATOM 1151 CB TYR A 85 2.775 1.736 -8.453 1.00 0.00 C ATOM 1152 CG TYR A 85 3.348 2.538 -9.600 1.00 0.00 C ATOM 1153 CD1 TYR A 85 4.464 2.089 -10.296 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.773 3.741 -9.988 1.00 0.00 C ATOM 1155 CE1 TYR A 85 4.992 2.818 -11.344 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.294 4.477 -11.035 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.403 4.010 -11.710 1.00 0.00 C ATOM 1158 OH TYR A 85 4.925 4.739 -12.754 1.00 0.00 O ATOM 0 H TYR A 85 4.677 0.264 -7.865 1.00 0.00 H new ATOM 0 HA TYR A 85 3.938 2.905 -7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.751 0.683 -8.733 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.743 2.044 -8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.926 1.155 -10.013 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.904 4.108 -9.462 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.861 2.456 -11.874 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.836 5.412 -11.323 1.00 0.00 H new ATOM 0 HH TYR A 85 4.393 5.552 -12.884 1.00 0.00 H new ATOM 1168 N ILE A 86 1.985 2.687 -5.490 1.00 0.00 N ATOM 1169 CA ILE A 86 1.072 2.589 -4.363 1.00 0.00 C ATOM 1170 C ILE A 86 -0.307 3.128 -4.739 1.00 0.00 C ATOM 1171 O ILE A 86 -0.509 4.340 -4.819 1.00 0.00 O ATOM 1172 CB ILE A 86 1.619 3.362 -3.143 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.709 2.549 -2.445 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.502 3.703 -2.168 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.890 3.381 -1.996 1.00 0.00 C ATOM 0 H ILE A 86 2.073 3.626 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 86 0.981 1.536 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 86 2.053 4.297 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.278 2.047 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.060 1.770 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.914 4.247 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.242 4.322 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.032 2.784 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.624 2.738 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.346 3.862 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.552 4.143 -1.294 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.250 2.221 -4.971 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.607 2.607 -5.339 1.00 0.00 C ATOM 1189 C GLN A 87 -3.625 1.983 -4.392 1.00 0.00 C ATOM 1190 O GLN A 87 -3.281 1.147 -3.558 1.00 0.00 O ATOM 1191 CB GLN A 87 -2.905 2.186 -6.779 1.00 0.00 C ATOM 1192 CG GLN A 87 -2.607 3.268 -7.804 1.00 0.00 C ATOM 1193 CD GLN A 87 -1.876 2.734 -9.020 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -1.987 1.556 -9.358 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -1.123 3.602 -9.687 1.00 0.00 N ATOM 0 H GLN A 87 -1.099 1.214 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.685 3.691 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.318 1.299 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.955 1.904 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.542 3.730 -8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.007 4.049 -7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.059 4.570 -9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.609 3.300 -10.515 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.882 2.394 -4.528 1.00 0.00 N ATOM 1205 CA PHE A 88 -5.951 1.875 -3.684 1.00 0.00 C ATOM 1206 C PHE A 88 -6.234 0.411 -4.004 1.00 0.00 C ATOM 1207 O PHE A 88 -5.536 -0.206 -4.808 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.223 2.704 -3.868 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.102 4.112 -3.357 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.895 4.358 -2.009 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.193 5.187 -4.226 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.782 5.653 -1.537 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.081 6.483 -3.759 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.875 6.716 -2.413 1.00 0.00 C ATOM 0 H PHE A 88 -5.185 3.085 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.627 1.946 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.479 2.731 -4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.047 2.209 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.821 3.530 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.353 5.011 -5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.621 5.833 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.154 7.313 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.787 7.728 -2.047 1.00 0.00 H new