USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 798 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 84 SER OG : rot 180:sc= -0.0247 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc=0.000809 USER MOD Set 2.1: A 86 MET CE :methyl -113:sc= 0 (180deg=-0.322) USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 THR OG1 : rot 61:sc= 0.085! USER MOD Set 3.2: A 69 SER OG : rot 41:sc= 0.0478 USER MOD Set 4.1: A 52 THR OG1 : rot 4:sc= 0.0502 USER MOD Set 4.2: A 58 THR OG1 : rot -89:sc= 0.275 USER MOD Set 5.1: A 51 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0) USER MOD Set 5.2: A 60 TYR OH : rot 180:sc= 1.11 USER MOD Single : A 9 MET CE :methyl -139:sc= -3.58! (180deg=-4.07!) USER MOD Single : A 10 MET CE :methyl -174:sc= -1.04 (180deg=-1.21) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 23:sc= 0.0522 USER MOD Single : A 22 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-3.1!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.529 K(o=0.53,f=-3.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.77 (180deg=-2.12!) USER MOD Single : A 37 HIS : no HD1:sc= -8.15! C(o=-8.2!,f=-11!) USER MOD Single : A 38 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.088) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.41! X(o=-3.4!,f=-3.3) USER MOD Single : A 57 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 64 ASN : amide:sc= -1.02 X(o=-1,f=-0.7) USER MOD Single : A 66 THR OG1 : rot 47:sc= 0.833 USER MOD Single : A 70 TYR OH : rot 130:sc= -1.61! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 163:sc=-0.00582 (180deg=-0.175) USER MOD Single : A 78 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.9) USER MOD Single : A 79 THR OG1 : rot 65:sc= 0.742 USER MOD Single : A 81 TYR OH : rot 165:sc= -0.299 USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.25) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -32:sc= -0.716 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 97 SER OG : rot 80:sc= -0.0921 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.485 X(o=-0.48,f=-0.045) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -165:sc= 0.0316 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.640 -2.481 10.434 1.00 0.00 N ATOM 81 CA MET A 9 12.954 -1.257 10.038 1.00 0.00 C ATOM 82 C MET A 9 11.456 -1.363 10.305 1.00 0.00 C ATOM 83 O MET A 9 10.880 -2.449 10.240 1.00 0.00 O ATOM 84 CB MET A 9 13.200 -0.965 8.557 1.00 0.00 C ATOM 85 CG MET A 9 14.662 -0.718 8.221 1.00 0.00 C ATOM 86 SD MET A 9 15.005 -0.872 6.457 1.00 0.00 S ATOM 87 CE MET A 9 14.017 0.471 5.802 1.00 0.00 C ATOM 0 HA MET A 9 13.355 -0.437 10.634 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.836 -1.804 7.964 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.616 -0.092 8.265 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.944 0.280 8.556 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.282 -1.426 8.771 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.524 0.147 4.886 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.265 0.761 6.536 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.660 1.324 5.585 1.00 0.00 H new ATOM 97 N MET A 10 10.831 -0.229 10.606 1.00 0.00 N ATOM 98 CA MET A 10 9.399 -0.196 10.882 1.00 0.00 C ATOM 99 C MET A 10 8.606 0.072 9.607 1.00 0.00 C ATOM 100 O MET A 10 9.028 0.829 8.732 1.00 0.00 O ATOM 101 CB MET A 10 9.084 0.876 11.927 1.00 0.00 C ATOM 102 CG MET A 10 9.166 2.294 11.386 1.00 0.00 C ATOM 103 SD MET A 10 10.831 2.979 11.483 1.00 0.00 S ATOM 104 CE MET A 10 11.311 2.947 9.758 1.00 0.00 C ATOM 0 H MET A 10 11.293 0.678 10.665 1.00 0.00 H new ATOM 0 HA MET A 10 9.107 -1.171 11.273 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.083 0.704 12.322 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.778 0.773 12.761 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.834 2.302 10.348 1.00 0.00 H new ATOM 0 HG3 MET A 10 8.482 2.932 11.945 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.357 3.240 9.666 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.181 1.940 9.363 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.688 3.642 9.194 1.00 0.00 H new ATOM 114 N PRO A 11 7.430 -0.563 9.496 1.00 0.00 N ATOM 115 CA PRO A 11 6.553 -0.409 8.331 1.00 0.00 C ATOM 116 C PRO A 11 5.923 0.978 8.260 1.00 0.00 C ATOM 117 O PRO A 11 5.904 1.728 9.236 1.00 0.00 O ATOM 118 CB PRO A 11 5.477 -1.475 8.553 1.00 0.00 C ATOM 119 CG PRO A 11 5.452 -1.686 10.028 1.00 0.00 C ATOM 120 CD PRO A 11 6.865 -1.481 10.500 1.00 0.00 C ATOM 0 HA PRO A 11 7.097 -0.523 7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.507 -1.141 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.719 -2.397 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.773 -0.983 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.100 -2.688 10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.896 -1.050 11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.416 -2.421 10.540 1.00 0.00 H new ATOM 128 N PRO A 12 5.393 1.328 7.079 1.00 0.00 N ATOM 129 CA PRO A 12 4.751 2.626 6.853 1.00 0.00 C ATOM 130 C PRO A 12 3.425 2.754 7.596 1.00 0.00 C ATOM 131 O PRO A 12 2.513 1.951 7.401 1.00 0.00 O ATOM 132 CB PRO A 12 4.520 2.650 5.340 1.00 0.00 C ATOM 133 CG PRO A 12 4.449 1.215 4.946 1.00 0.00 C ATOM 134 CD PRO A 12 5.380 0.484 5.873 1.00 0.00 C ATOM 0 HA PRO A 12 5.362 3.451 7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.599 3.176 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.331 3.163 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.431 0.836 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.748 1.081 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.022 -0.522 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.377 0.382 5.443 1.00 0.00 H new ATOM 142 N VAL A 13 3.325 3.770 8.448 1.00 0.00 N ATOM 143 CA VAL A 13 2.110 4.003 9.219 1.00 0.00 C ATOM 144 C VAL A 13 1.126 4.872 8.444 1.00 0.00 C ATOM 145 O VAL A 13 1.386 5.258 7.305 1.00 0.00 O ATOM 146 CB VAL A 13 2.423 4.680 10.568 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.358 3.812 11.396 1.00 0.00 C ATOM 148 CG2 VAL A 13 3.020 6.061 10.345 1.00 0.00 C ATOM 0 H VAL A 13 4.071 4.444 8.621 1.00 0.00 H new ATOM 0 HA VAL A 13 1.661 3.027 9.405 1.00 0.00 H new ATOM 0 HB VAL A 13 1.491 4.798 11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.568 4.306 12.345 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.887 2.848 11.585 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.290 3.660 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.235 6.524 11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.943 5.970 9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.311 6.679 9.795 1.00 0.00 H new ATOM 158 N GLY A 14 -0.007 5.176 9.070 1.00 0.00 N ATOM 159 CA GLY A 14 -1.014 5.997 8.424 1.00 0.00 C ATOM 160 C GLY A 14 -1.428 5.451 7.072 1.00 0.00 C ATOM 161 O GLY A 14 -1.719 6.212 6.149 1.00 0.00 O ATOM 0 H GLY A 14 -0.245 4.868 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.890 6.066 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.629 7.009 8.301 1.00 0.00 H new ATOM 165 N VAL A 15 -1.453 4.127 6.952 1.00 0.00 N ATOM 166 CA VAL A 15 -1.833 3.479 5.703 1.00 0.00 C ATOM 167 C VAL A 15 -3.345 3.506 5.508 1.00 0.00 C ATOM 168 O VAL A 15 -4.066 2.676 6.061 1.00 0.00 O ATOM 169 CB VAL A 15 -1.346 2.019 5.657 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.739 1.365 4.341 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.159 1.953 5.866 1.00 0.00 C ATOM 0 H VAL A 15 -1.214 3.482 7.706 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.356 4.038 4.898 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.827 1.469 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.386 0.334 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.824 1.379 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.289 1.913 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.486 0.914 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.661 2.518 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.411 2.380 6.837 1.00 0.00 H new ATOM 181 N GLN A 16 -3.817 4.464 4.718 1.00 0.00 N ATOM 182 CA GLN A 16 -5.244 4.599 4.450 1.00 0.00 C ATOM 183 C GLN A 16 -5.513 4.666 2.950 1.00 0.00 C ATOM 184 O GLN A 16 -4.608 4.931 2.159 1.00 0.00 O ATOM 185 CB GLN A 16 -5.797 5.849 5.135 1.00 0.00 C ATOM 186 CG GLN A 16 -6.129 5.642 6.604 1.00 0.00 C ATOM 187 CD GLN A 16 -6.637 6.904 7.272 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.836 7.186 7.263 1.00 0.00 O ATOM 189 NE2 GLN A 16 -5.726 7.673 7.856 1.00 0.00 N ATOM 0 H GLN A 16 -3.233 5.158 4.252 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.748 3.720 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.068 6.654 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.696 6.173 4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.882 4.859 6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.240 5.291 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.743 7.401 7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.009 8.536 8.321 1.00 0.00 H new ATOM 198 N ALA A 17 -6.762 4.423 2.566 1.00 0.00 N ATOM 199 CA ALA A 17 -7.149 4.457 1.161 1.00 0.00 C ATOM 200 C ALA A 17 -8.267 5.467 0.925 1.00 0.00 C ATOM 201 O ALA A 17 -9.272 5.473 1.636 1.00 0.00 O ATOM 202 CB ALA A 17 -7.580 3.073 0.699 1.00 0.00 C ATOM 0 H ALA A 17 -7.523 4.201 3.208 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.283 4.769 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.866 3.113 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.753 2.374 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.430 2.739 1.294 1.00 0.00 H new ATOM 208 N SER A 18 -8.085 6.321 -0.077 1.00 0.00 N ATOM 209 CA SER A 18 -9.076 7.339 -0.404 1.00 0.00 C ATOM 210 C SER A 18 -9.853 6.957 -1.660 1.00 0.00 C ATOM 211 O SER A 18 -9.323 7.005 -2.770 1.00 0.00 O ATOM 212 CB SER A 18 -8.398 8.696 -0.604 1.00 0.00 C ATOM 213 OG SER A 18 -8.243 9.375 0.630 1.00 0.00 O ATOM 0 H SER A 18 -7.260 6.328 -0.677 1.00 0.00 H new ATOM 0 HA SER A 18 -9.776 7.410 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.423 8.554 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.991 9.305 -1.286 1.00 0.00 H new ATOM 0 HG SER A 18 -7.806 10.238 0.476 1.00 0.00 H new ATOM 219 N ILE A 19 -11.113 6.577 -1.476 1.00 0.00 N ATOM 220 CA ILE A 19 -11.964 6.188 -2.593 1.00 0.00 C ATOM 221 C ILE A 19 -12.292 7.385 -3.479 1.00 0.00 C ATOM 222 O ILE A 19 -13.071 8.259 -3.097 1.00 0.00 O ATOM 223 CB ILE A 19 -13.279 5.551 -2.104 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.987 4.435 -1.098 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.077 5.013 -3.282 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.294 3.237 -1.709 1.00 0.00 C ATOM 0 H ILE A 19 -11.567 6.530 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.406 5.452 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.874 6.317 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.366 4.834 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.924 4.111 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.003 4.566 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.311 5.829 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.490 4.258 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.119 2.486 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.923 2.813 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.341 3.547 -2.137 1.00 0.00 H new ATOM 238 N LEU A 20 -11.693 7.419 -4.664 1.00 0.00 N ATOM 239 CA LEU A 20 -11.922 8.508 -5.606 1.00 0.00 C ATOM 240 C LEU A 20 -12.904 8.089 -6.696 1.00 0.00 C ATOM 241 O LEU A 20 -13.832 8.826 -7.026 1.00 0.00 O ATOM 242 CB LEU A 20 -10.600 8.949 -6.237 1.00 0.00 C ATOM 243 CG LEU A 20 -9.460 9.252 -5.265 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.127 9.277 -5.996 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.704 10.574 -4.552 1.00 0.00 C ATOM 0 H LEU A 20 -11.045 6.704 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.353 9.345 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.269 8.168 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.786 9.840 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.426 8.460 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.328 9.494 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.948 8.307 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.149 10.048 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.882 10.773 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.766 11.377 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.639 10.520 -3.994 1.00 0.00 H new ATOM 257 N SER A 21 -12.692 6.899 -7.249 1.00 0.00 N ATOM 258 CA SER A 21 -13.558 6.382 -8.303 1.00 0.00 C ATOM 259 C SER A 21 -13.728 4.871 -8.173 1.00 0.00 C ATOM 260 O SER A 21 -13.243 4.260 -7.221 1.00 0.00 O ATOM 261 CB SER A 21 -12.984 6.726 -9.679 1.00 0.00 C ATOM 262 OG SER A 21 -13.344 8.040 -10.067 1.00 0.00 O ATOM 0 H SER A 21 -11.929 6.275 -6.985 1.00 0.00 H new ATOM 0 HA SER A 21 -14.536 6.851 -8.198 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.898 6.635 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.349 6.012 -10.418 1.00 0.00 H new ATOM 0 HG SER A 21 -13.554 8.571 -9.270 1.00 0.00 H new ATOM 268 N HIS A 22 -14.420 4.275 -9.139 1.00 0.00 N ATOM 269 CA HIS A 22 -14.654 2.835 -9.135 1.00 0.00 C ATOM 270 C HIS A 22 -13.340 2.071 -9.265 1.00 0.00 C ATOM 271 O HIS A 22 -13.199 0.966 -8.741 1.00 0.00 O ATOM 272 CB HIS A 22 -15.599 2.448 -10.273 1.00 0.00 C ATOM 273 CG HIS A 22 -15.155 2.943 -11.615 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.254 4.263 -12.000 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.605 2.286 -12.663 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.787 4.397 -13.228 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.386 3.212 -13.653 1.00 0.00 N ATOM 0 H HIS A 22 -14.828 4.767 -9.934 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.115 2.569 -8.184 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.688 1.362 -10.307 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.592 2.843 -10.060 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.380 1.231 -12.711 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.741 5.318 -13.789 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.980 3.017 -14.568 1.00 0.00 H new ATOM 286 N ASP A 23 -12.383 2.665 -9.968 1.00 0.00 N ATOM 287 CA ASP A 23 -11.081 2.041 -10.168 1.00 0.00 C ATOM 288 C ASP A 23 -9.954 3.016 -9.841 1.00 0.00 C ATOM 289 O ASP A 23 -8.916 3.029 -10.504 1.00 0.00 O ATOM 290 CB ASP A 23 -10.943 1.548 -11.609 1.00 0.00 C ATOM 291 CG ASP A 23 -12.022 0.553 -11.986 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.991 0.406 -11.212 1.00 0.00 O ATOM 293 OD2 ASP A 23 -11.899 -0.080 -13.056 1.00 0.00 O ATOM 0 H ASP A 23 -12.484 3.579 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.007 1.189 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.986 2.400 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.965 1.086 -11.740 1.00 0.00 H new ATOM 298 N THR A 24 -10.165 3.834 -8.814 1.00 0.00 N ATOM 299 CA THR A 24 -9.170 4.814 -8.400 1.00 0.00 C ATOM 300 C THR A 24 -9.099 4.918 -6.881 1.00 0.00 C ATOM 301 O THR A 24 -10.107 5.167 -6.219 1.00 0.00 O ATOM 302 CB THR A 24 -9.475 6.206 -8.985 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.852 6.087 -10.361 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.266 7.121 -8.862 1.00 0.00 C ATOM 0 H THR A 24 -11.017 3.836 -8.254 1.00 0.00 H new ATOM 0 HA THR A 24 -8.209 4.470 -8.783 1.00 0.00 H new ATOM 0 HB THR A 24 -10.299 6.641 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.046 6.976 -10.725 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.505 8.098 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.000 7.233 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.426 6.689 -9.405 1.00 0.00 H new ATOM 312 N ILE A 25 -7.903 4.727 -6.335 1.00 0.00 N ATOM 313 CA ILE A 25 -7.701 4.801 -4.893 1.00 0.00 C ATOM 314 C ILE A 25 -6.323 5.361 -4.559 1.00 0.00 C ATOM 315 O ILE A 25 -5.308 4.887 -5.071 1.00 0.00 O ATOM 316 CB ILE A 25 -7.856 3.419 -4.231 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.231 2.828 -4.549 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.655 3.527 -2.727 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.414 1.415 -4.040 1.00 0.00 C ATOM 0 H ILE A 25 -7.059 4.520 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.467 5.470 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.093 2.752 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.001 3.465 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.381 2.839 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.768 2.542 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.656 3.910 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.398 4.206 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.411 1.060 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.667 0.765 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.296 1.400 -2.957 1.00 0.00 H new ATOM 331 N ARG A 26 -6.294 6.370 -3.695 1.00 0.00 N ATOM 332 CA ARG A 26 -5.040 6.995 -3.291 1.00 0.00 C ATOM 333 C ARG A 26 -4.565 6.444 -1.950 1.00 0.00 C ATOM 334 O ARG A 26 -5.249 6.580 -0.935 1.00 0.00 O ATOM 335 CB ARG A 26 -5.207 8.512 -3.201 1.00 0.00 C ATOM 336 CG ARG A 26 -3.913 9.281 -3.415 1.00 0.00 C ATOM 337 CD ARG A 26 -4.141 10.784 -3.349 1.00 0.00 C ATOM 338 NE ARG A 26 -4.290 11.255 -1.975 1.00 0.00 N ATOM 339 CZ ARG A 26 -4.630 12.499 -1.657 1.00 0.00 C ATOM 340 NH1 ARG A 26 -4.855 13.392 -2.611 1.00 0.00 N ATOM 341 NH2 ARG A 26 -4.745 12.852 -0.383 1.00 0.00 N ATOM 0 H ARG A 26 -7.125 6.772 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.289 6.764 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.938 8.833 -3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.614 8.767 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.185 8.989 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.488 9.018 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.303 11.299 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.034 11.041 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.124 10.592 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.767 13.124 -3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.116 14.347 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.572 12.168 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.006 13.808 -0.140 1.00 0.00 H new ATOM 355 N ILE A 27 -3.391 5.822 -1.953 1.00 0.00 N ATOM 356 CA ILE A 27 -2.825 5.251 -0.737 1.00 0.00 C ATOM 357 C ILE A 27 -1.743 6.155 -0.157 1.00 0.00 C ATOM 358 O ILE A 27 -0.657 6.284 -0.723 1.00 0.00 O ATOM 359 CB ILE A 27 -2.229 3.855 -0.995 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.299 2.915 -1.554 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.635 3.288 0.286 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.458 2.688 -0.609 1.00 0.00 C ATOM 0 H ILE A 27 -2.813 5.701 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.642 5.161 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.432 3.947 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.679 3.326 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.840 1.955 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.218 2.301 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.847 3.950 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.414 3.207 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.177 2.012 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.091 2.248 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.942 3.640 -0.392 1.00 0.00 H new ATOM 374 N THR A 28 -2.045 6.780 0.977 1.00 0.00 N ATOM 375 CA THR A 28 -1.098 7.671 1.634 1.00 0.00 C ATOM 376 C THR A 28 -0.647 7.103 2.975 1.00 0.00 C ATOM 377 O THR A 28 -1.446 6.534 3.719 1.00 0.00 O ATOM 378 CB THR A 28 -1.706 9.068 1.861 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.922 8.958 2.610 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.984 9.759 0.534 1.00 0.00 C ATOM 0 H THR A 28 -2.939 6.685 1.459 1.00 0.00 H new ATOM 0 HA THR A 28 -0.237 7.760 0.972 1.00 0.00 H new ATOM 0 HB THR A 28 -0.987 9.666 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.301 9.851 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.413 10.744 0.719 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.053 9.868 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.686 9.161 -0.048 1.00 0.00 H new ATOM 388 N TRP A 29 0.636 7.260 3.276 1.00 0.00 N ATOM 389 CA TRP A 29 1.193 6.762 4.529 1.00 0.00 C ATOM 390 C TRP A 29 2.248 7.718 5.075 1.00 0.00 C ATOM 391 O TRP A 29 2.611 8.695 4.420 1.00 0.00 O ATOM 392 CB TRP A 29 1.803 5.374 4.324 1.00 0.00 C ATOM 393 CG TRP A 29 2.903 5.353 3.306 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.226 5.614 3.524 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.774 5.057 1.911 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.927 5.498 2.348 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.060 5.157 1.344 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.699 4.716 1.087 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.296 4.928 -0.009 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.935 4.490 -0.256 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.225 4.596 -0.793 1.00 0.00 C ATOM 0 H TRP A 29 1.311 7.728 2.671 1.00 0.00 H new ATOM 0 HA TRP A 29 0.383 6.692 5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.192 5.012 5.276 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.019 4.682 4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.657 5.873 4.480 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.931 5.642 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.701 4.630 1.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.289 5.010 -0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.111 4.227 -0.903 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.377 4.412 -1.846 1.00 0.00 H new ATOM 412 N ALA A 30 2.736 7.431 6.277 1.00 0.00 N ATOM 413 CA ALA A 30 3.751 8.265 6.908 1.00 0.00 C ATOM 414 C ALA A 30 4.947 7.431 7.355 1.00 0.00 C ATOM 415 O ALA A 30 4.809 6.249 7.670 1.00 0.00 O ATOM 416 CB ALA A 30 3.156 9.015 8.092 1.00 0.00 C ATOM 0 H ALA A 30 2.445 6.627 6.833 1.00 0.00 H new ATOM 0 HA ALA A 30 4.101 8.988 6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.925 9.634 8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.338 9.648 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.778 8.300 8.823 1.00 0.00 H new ATOM 422 N ASP A 31 6.120 8.054 7.379 1.00 0.00 N ATOM 423 CA ASP A 31 7.341 7.369 7.787 1.00 0.00 C ATOM 424 C ASP A 31 7.995 8.081 8.967 1.00 0.00 C ATOM 425 O ASP A 31 8.857 8.941 8.785 1.00 0.00 O ATOM 426 CB ASP A 31 8.322 7.288 6.617 1.00 0.00 C ATOM 427 CG ASP A 31 9.379 6.221 6.820 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.130 5.279 7.601 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.456 6.327 6.197 1.00 0.00 O ATOM 0 H ASP A 31 6.251 9.032 7.121 1.00 0.00 H new ATOM 0 HA ASP A 31 7.075 6.359 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.772 7.080 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.807 8.255 6.486 1.00 0.00 H new ATOM 434 N ASN A 32 7.579 7.719 10.176 1.00 0.00 N ATOM 435 CA ASN A 32 8.123 8.325 11.386 1.00 0.00 C ATOM 436 C ASN A 32 9.618 8.592 11.235 1.00 0.00 C ATOM 437 O ASN A 32 10.148 9.548 11.800 1.00 0.00 O ATOM 438 CB ASN A 32 7.876 7.416 12.592 1.00 0.00 C ATOM 439 CG ASN A 32 6.555 6.677 12.497 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.378 5.806 11.646 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.619 7.023 13.374 1.00 0.00 N ATOM 0 H ASN A 32 6.867 7.009 10.344 1.00 0.00 H new ATOM 0 HA ASN A 32 7.616 9.276 11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.688 6.694 12.672 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.890 8.014 13.503 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.710 6.561 13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.809 7.751 14.063 1.00 0.00 H new ATOM 448 N SER A 33 10.292 7.740 10.468 1.00 0.00 N ATOM 449 CA SER A 33 11.726 7.882 10.245 1.00 0.00 C ATOM 450 C SER A 33 12.058 9.276 9.720 1.00 0.00 C ATOM 451 O SER A 33 12.961 9.943 10.227 1.00 0.00 O ATOM 452 CB SER A 33 12.217 6.822 9.258 1.00 0.00 C ATOM 453 OG SER A 33 13.631 6.728 9.272 1.00 0.00 O ATOM 0 H SER A 33 9.868 6.945 9.991 1.00 0.00 H new ATOM 0 HA SER A 33 12.234 7.742 11.199 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.783 5.855 9.512 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.876 7.071 8.253 1.00 0.00 H new ATOM 0 HG SER A 33 13.920 6.042 8.634 1.00 0.00 H new ATOM 459 N LEU A 34 11.323 9.709 8.703 1.00 0.00 N ATOM 460 CA LEU A 34 11.539 11.023 8.107 1.00 0.00 C ATOM 461 C LEU A 34 11.466 12.119 9.166 1.00 0.00 C ATOM 462 O LEU A 34 10.772 11.996 10.175 1.00 0.00 O ATOM 463 CB LEU A 34 10.502 11.286 7.014 1.00 0.00 C ATOM 464 CG LEU A 34 10.588 10.390 5.778 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.340 10.539 4.922 1.00 0.00 C ATOM 466 CD2 LEU A 34 11.834 10.717 4.968 1.00 0.00 C ATOM 0 H LEU A 34 10.572 9.170 8.273 1.00 0.00 H new ATOM 0 HA LEU A 34 12.535 11.035 7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.509 11.176 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.597 12.323 6.693 1.00 0.00 H new ATOM 0 HG LEU A 34 10.655 9.354 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.420 9.894 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.463 10.255 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.241 11.576 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.879 10.070 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.797 11.758 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.720 10.558 5.583 1.00 0.00 H new ATOM 478 N PRO A 35 12.200 13.217 8.932 1.00 0.00 N ATOM 479 CA PRO A 35 12.233 14.357 9.853 1.00 0.00 C ATOM 480 C PRO A 35 10.915 15.123 9.876 1.00 0.00 C ATOM 481 O PRO A 35 9.960 14.757 9.191 1.00 0.00 O ATOM 482 CB PRO A 35 13.352 15.236 9.288 1.00 0.00 C ATOM 483 CG PRO A 35 13.414 14.888 7.841 1.00 0.00 C ATOM 484 CD PRO A 35 13.051 13.431 7.750 1.00 0.00 C ATOM 0 HA PRO A 35 12.397 14.043 10.884 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.135 16.294 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.302 15.036 9.784 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.722 15.500 7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.411 15.068 7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.519 13.206 6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.936 12.794 7.771 1.00 0.00 H new ATOM 492 N LYS A 36 10.869 16.188 10.669 1.00 0.00 N ATOM 493 CA LYS A 36 9.668 17.008 10.781 1.00 0.00 C ATOM 494 C LYS A 36 9.062 17.275 9.407 1.00 0.00 C ATOM 495 O LYS A 36 7.853 17.474 9.278 1.00 0.00 O ATOM 496 CB LYS A 36 9.993 18.333 11.474 1.00 0.00 C ATOM 497 CG LYS A 36 10.730 19.320 10.585 1.00 0.00 C ATOM 498 CD LYS A 36 12.236 19.159 10.702 1.00 0.00 C ATOM 499 CE LYS A 36 12.788 19.930 11.891 1.00 0.00 C ATOM 500 NZ LYS A 36 12.640 19.169 13.163 1.00 0.00 N ATOM 0 H LYS A 36 11.650 16.504 11.244 1.00 0.00 H new ATOM 0 HA LYS A 36 8.939 16.462 11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.065 18.790 11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.597 18.132 12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.427 19.174 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.450 20.337 10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.483 18.102 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.713 19.510 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.841 20.153 11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.270 20.885 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.439 19.386 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.750 19.439 13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.628 18.149 12.958 1.00 0.00 H new ATOM 514 N HIS A 37 9.908 17.278 8.382 1.00 0.00 N ATOM 515 CA HIS A 37 9.455 17.519 7.017 1.00 0.00 C ATOM 516 C HIS A 37 9.265 16.204 6.267 1.00 0.00 C ATOM 517 O HIS A 37 9.985 15.235 6.505 1.00 0.00 O ATOM 518 CB HIS A 37 10.456 18.404 6.273 1.00 0.00 C ATOM 519 CG HIS A 37 11.777 17.741 6.031 1.00 0.00 C ATOM 520 ND1 HIS A 37 11.942 16.692 5.151 1.00 0.00 N ATOM 521 CD2 HIS A 37 13.000 17.984 6.558 1.00 0.00 C ATOM 522 CE1 HIS A 37 13.209 16.318 5.149 1.00 0.00 C ATOM 523 NE2 HIS A 37 13.872 17.086 5.994 1.00 0.00 N ATOM 0 H HIS A 37 10.911 17.116 8.471 1.00 0.00 H new ATOM 0 HA HIS A 37 8.494 18.032 7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.026 18.699 5.316 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.617 19.317 6.846 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.244 18.743 7.286 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.631 15.520 4.557 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.870 17.022 6.195 1.00 0.00 H new ATOM 532 N GLN A 38 8.292 16.179 5.362 1.00 0.00 N ATOM 533 CA GLN A 38 8.008 14.983 4.579 1.00 0.00 C ATOM 534 C GLN A 38 8.801 14.983 3.277 1.00 0.00 C ATOM 535 O GLN A 38 8.296 15.387 2.230 1.00 0.00 O ATOM 536 CB GLN A 38 6.511 14.888 4.279 1.00 0.00 C ATOM 537 CG GLN A 38 5.634 14.975 5.518 1.00 0.00 C ATOM 538 CD GLN A 38 6.163 14.139 6.666 1.00 0.00 C ATOM 539 OE1 GLN A 38 6.347 14.635 7.778 1.00 0.00 O ATOM 540 NE2 GLN A 38 6.410 12.861 6.404 1.00 0.00 N ATOM 0 H GLN A 38 7.687 16.973 5.153 1.00 0.00 H new ATOM 0 HA GLN A 38 8.310 14.115 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.235 15.688 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.311 13.946 3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.561 16.015 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.625 14.646 5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.243 12.491 5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.766 12.249 7.138 1.00 0.00 H new ATOM 549 N LYS A 39 10.047 14.527 3.349 1.00 0.00 N ATOM 550 CA LYS A 39 10.911 14.473 2.176 1.00 0.00 C ATOM 551 C LYS A 39 11.856 13.278 2.251 1.00 0.00 C ATOM 552 O LYS A 39 12.651 13.161 3.184 1.00 0.00 O ATOM 553 CB LYS A 39 11.718 15.767 2.052 1.00 0.00 C ATOM 554 CG LYS A 39 10.864 16.993 1.776 1.00 0.00 C ATOM 555 CD LYS A 39 10.233 16.932 0.395 1.00 0.00 C ATOM 556 CE LYS A 39 9.967 18.324 -0.157 1.00 0.00 C ATOM 557 NZ LYS A 39 8.798 18.341 -1.080 1.00 0.00 N ATOM 0 H LYS A 39 10.481 14.189 4.208 1.00 0.00 H new ATOM 0 HA LYS A 39 10.279 14.360 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.279 15.925 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.448 15.655 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.082 17.071 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.477 17.891 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.891 16.390 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.298 16.374 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.788 19.014 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.852 18.681 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.650 19.307 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.979 17.702 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.948 18.025 -0.570 1.00 0.00 H new ATOM 571 N ILE A 40 11.764 12.394 1.263 1.00 0.00 N ATOM 572 CA ILE A 40 12.613 11.210 1.216 1.00 0.00 C ATOM 573 C ILE A 40 13.944 11.514 0.538 1.00 0.00 C ATOM 574 O ILE A 40 14.005 11.714 -0.676 1.00 0.00 O ATOM 575 CB ILE A 40 11.923 10.052 0.472 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.585 9.716 1.134 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.827 8.828 0.443 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.724 8.779 0.316 1.00 0.00 C ATOM 0 H ILE A 40 11.110 12.475 0.484 1.00 0.00 H new ATOM 0 HA ILE A 40 12.794 10.911 2.248 1.00 0.00 H new ATOM 0 HB ILE A 40 11.731 10.363 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.774 9.265 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.035 10.640 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.325 8.018 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.757 9.075 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.047 8.514 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.792 8.585 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.504 9.236 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.255 7.840 0.160 1.00 0.00 H new ATOM 590 N THR A 41 15.012 11.546 1.329 1.00 0.00 N ATOM 591 CA THR A 41 16.344 11.824 0.806 1.00 0.00 C ATOM 592 C THR A 41 17.269 10.627 0.991 1.00 0.00 C ATOM 593 O THR A 41 18.465 10.787 1.234 1.00 0.00 O ATOM 594 CB THR A 41 16.970 13.054 1.490 1.00 0.00 C ATOM 595 OG1 THR A 41 17.026 12.851 2.906 1.00 0.00 O ATOM 596 CG2 THR A 41 16.170 14.310 1.183 1.00 0.00 C ATOM 0 H THR A 41 14.980 11.383 2.335 1.00 0.00 H new ATOM 0 HA THR A 41 16.229 12.029 -0.258 1.00 0.00 H new ATOM 0 HB THR A 41 17.980 13.183 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.427 13.637 3.333 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.631 15.165 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.155 14.478 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.149 14.189 1.546 1.00 0.00 H new ATOM 604 N ASP A 42 16.708 9.428 0.874 1.00 0.00 N ATOM 605 CA ASP A 42 17.484 8.203 1.027 1.00 0.00 C ATOM 606 C ASP A 42 17.396 7.344 -0.230 1.00 0.00 C ATOM 607 O ASP A 42 16.626 7.640 -1.143 1.00 0.00 O ATOM 608 CB ASP A 42 16.991 7.410 2.239 1.00 0.00 C ATOM 609 CG ASP A 42 17.198 8.156 3.542 1.00 0.00 C ATOM 610 OD1 ASP A 42 16.409 9.080 3.828 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.149 7.815 4.277 1.00 0.00 O ATOM 0 H ASP A 42 15.719 9.279 0.674 1.00 0.00 H new ATOM 0 HA ASP A 42 18.527 8.479 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.931 7.186 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.516 6.456 2.283 1.00 0.00 H new ATOM 616 N SER A 43 18.191 6.279 -0.269 1.00 0.00 N ATOM 617 CA SER A 43 18.206 5.378 -1.416 1.00 0.00 C ATOM 618 C SER A 43 17.360 4.138 -1.145 1.00 0.00 C ATOM 619 O SER A 43 17.786 3.013 -1.408 1.00 0.00 O ATOM 620 CB SER A 43 19.641 4.968 -1.750 1.00 0.00 C ATOM 621 OG SER A 43 20.332 6.017 -2.406 1.00 0.00 O ATOM 0 H SER A 43 18.833 6.019 0.480 1.00 0.00 H new ATOM 0 HA SER A 43 17.779 5.907 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.168 4.698 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.631 4.082 -2.385 1.00 0.00 H new ATOM 0 HG SER A 43 21.247 5.730 -2.607 1.00 0.00 H new ATOM 627 N ARG A 44 16.159 4.352 -0.617 1.00 0.00 N ATOM 628 CA ARG A 44 15.253 3.253 -0.308 1.00 0.00 C ATOM 629 C ARG A 44 14.090 3.213 -1.295 1.00 0.00 C ATOM 630 O ARG A 44 13.842 4.179 -2.017 1.00 0.00 O ATOM 631 CB ARG A 44 14.720 3.388 1.120 1.00 0.00 C ATOM 632 CG ARG A 44 14.113 4.750 1.416 1.00 0.00 C ATOM 633 CD ARG A 44 13.565 4.819 2.833 1.00 0.00 C ATOM 634 NE ARG A 44 13.564 6.183 3.354 1.00 0.00 N ATOM 635 CZ ARG A 44 13.465 6.476 4.646 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.360 5.506 5.543 1.00 0.00 N ATOM 637 NH2 ARG A 44 13.472 7.743 5.042 1.00 0.00 N ATOM 0 H ARG A 44 15.791 5.277 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 44 15.811 2.321 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.967 2.619 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.533 3.201 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.868 5.524 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.313 4.955 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.549 4.425 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.164 4.183 3.485 1.00 0.00 H new ATOM 0 HE ARG A 44 13.644 6.953 2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.355 4.531 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.284 5.734 6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.553 8.492 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.396 7.968 6.034 1.00 0.00 H new ATOM 651 N TYR A 45 13.381 2.091 -1.320 1.00 0.00 N ATOM 652 CA TYR A 45 12.246 1.924 -2.220 1.00 0.00 C ATOM 653 C TYR A 45 11.033 1.378 -1.472 1.00 0.00 C ATOM 654 O TYR A 45 11.168 0.569 -0.554 1.00 0.00 O ATOM 655 CB TYR A 45 12.614 0.985 -3.370 1.00 0.00 C ATOM 656 CG TYR A 45 12.795 -0.454 -2.944 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.872 -0.834 -2.152 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.889 -1.434 -3.332 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.041 -2.148 -1.760 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.050 -2.749 -2.944 1.00 0.00 C ATOM 661 CZ TYR A 45 13.128 -3.102 -2.158 1.00 0.00 C ATOM 662 OH TYR A 45 13.293 -4.412 -1.770 1.00 0.00 O ATOM 0 H TYR A 45 13.572 1.283 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 45 11.990 2.903 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.835 1.034 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.536 1.336 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.589 -0.090 -1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.044 -1.162 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.884 -2.427 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.336 -3.498 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 45 12.563 -4.955 -2.134 1.00 0.00 H new ATOM 672 N TYR A 46 9.848 1.828 -1.872 1.00 0.00 N ATOM 673 CA TYR A 46 8.611 1.387 -1.240 1.00 0.00 C ATOM 674 C TYR A 46 7.897 0.351 -2.102 1.00 0.00 C ATOM 675 O TYR A 46 7.665 0.568 -3.292 1.00 0.00 O ATOM 676 CB TYR A 46 7.688 2.581 -0.990 1.00 0.00 C ATOM 677 CG TYR A 46 7.911 3.249 0.349 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.534 2.622 1.530 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.497 4.505 0.432 1.00 0.00 C ATOM 680 CE1 TYR A 46 7.734 3.228 2.756 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.702 5.118 1.653 1.00 0.00 C ATOM 682 CZ TYR A 46 8.319 4.475 2.812 1.00 0.00 C ATOM 683 OH TYR A 46 8.521 5.083 4.030 1.00 0.00 O ATOM 0 H TYR A 46 9.719 2.498 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 46 8.865 0.926 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.835 3.315 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.652 2.248 -1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.077 1.644 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.798 5.011 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.434 2.728 3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.160 6.095 1.700 1.00 0.00 H new ATOM 0 HH TYR A 46 8.944 5.956 3.893 1.00 0.00 H new ATOM 693 N THR A 47 7.550 -0.779 -1.493 1.00 0.00 N ATOM 694 CA THR A 47 6.863 -1.850 -2.204 1.00 0.00 C ATOM 695 C THR A 47 5.418 -1.980 -1.738 1.00 0.00 C ATOM 696 O THR A 47 5.154 -2.331 -0.588 1.00 0.00 O ATOM 697 CB THR A 47 7.577 -3.201 -2.008 1.00 0.00 C ATOM 698 OG1 THR A 47 8.969 -3.069 -2.316 1.00 0.00 O ATOM 699 CG2 THR A 47 6.957 -4.274 -2.891 1.00 0.00 C ATOM 0 H THR A 47 7.734 -0.976 -0.509 1.00 0.00 H new ATOM 0 HA THR A 47 6.878 -1.589 -3.262 1.00 0.00 H new ATOM 0 HB THR A 47 7.463 -3.499 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.416 -3.932 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.478 -5.219 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.904 -4.393 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.044 -3.980 -3.937 1.00 0.00 H new ATOM 707 N VAL A 48 4.483 -1.695 -2.639 1.00 0.00 N ATOM 708 CA VAL A 48 3.063 -1.781 -2.321 1.00 0.00 C ATOM 709 C VAL A 48 2.430 -3.012 -2.961 1.00 0.00 C ATOM 710 O VAL A 48 2.352 -3.117 -4.185 1.00 0.00 O ATOM 711 CB VAL A 48 2.305 -0.526 -2.791 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.818 -0.657 -2.494 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.880 0.720 -2.134 1.00 0.00 C ATOM 0 H VAL A 48 4.684 -1.402 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 48 2.986 -1.858 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 48 2.429 -0.431 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.299 0.239 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.418 -1.527 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.671 -0.777 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.333 1.598 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.788 0.636 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.932 0.820 -2.402 1.00 0.00 H new ATOM 723 N ARG A 49 1.980 -3.942 -2.124 1.00 0.00 N ATOM 724 CA ARG A 49 1.355 -5.167 -2.608 1.00 0.00 C ATOM 725 C ARG A 49 -0.165 -5.080 -2.501 1.00 0.00 C ATOM 726 O ARG A 49 -0.699 -4.548 -1.528 1.00 0.00 O ATOM 727 CB ARG A 49 1.865 -6.372 -1.816 1.00 0.00 C ATOM 728 CG ARG A 49 1.242 -6.501 -0.435 1.00 0.00 C ATOM 729 CD ARG A 49 2.196 -7.165 0.546 1.00 0.00 C ATOM 730 NE ARG A 49 2.494 -8.545 0.171 1.00 0.00 N ATOM 731 CZ ARG A 49 1.706 -9.573 0.465 1.00 0.00 C ATOM 732 NH1 ARG A 49 0.578 -9.378 1.134 1.00 0.00 N ATOM 733 NH2 ARG A 49 2.045 -10.799 0.089 1.00 0.00 N ATOM 0 H ARG A 49 2.037 -3.870 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 49 1.622 -5.292 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.663 -7.281 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.947 -6.296 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.967 -5.513 -0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.323 -7.084 -0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.123 -6.594 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.760 -7.147 1.545 1.00 0.00 H new ATOM 0 HE ARG A 49 3.354 -8.729 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.313 -8.437 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.025 -10.169 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.912 -10.953 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.439 -11.588 0.315 1.00 0.00 H new ATOM 747 N TRP A 50 -0.854 -5.606 -3.507 1.00 0.00 N ATOM 748 CA TRP A 50 -2.313 -5.587 -3.527 1.00 0.00 C ATOM 749 C TRP A 50 -2.863 -6.811 -4.251 1.00 0.00 C ATOM 750 O TRP A 50 -2.280 -7.280 -5.229 1.00 0.00 O ATOM 751 CB TRP A 50 -2.818 -4.310 -4.200 1.00 0.00 C ATOM 752 CG TRP A 50 -2.562 -4.275 -5.676 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.447 -4.585 -6.669 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.338 -3.912 -6.325 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.847 -4.436 -7.896 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.554 -4.023 -7.712 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.083 -3.502 -5.869 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.560 -3.740 -8.645 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.903 -3.222 -6.796 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.660 -3.341 -8.171 1.00 0.00 C ATOM 0 H TRP A 50 -0.427 -6.051 -4.319 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.666 -5.609 -2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.889 -4.213 -4.022 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.338 -3.449 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.468 -4.901 -6.513 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.292 -4.605 -8.798 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.113 -3.406 -4.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.745 -3.832 -9.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.878 -2.906 -6.455 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.451 -3.113 -8.870 1.00 0.00 H new ATOM 771 N LYS A 51 -3.989 -7.324 -3.767 1.00 0.00 N ATOM 772 CA LYS A 51 -4.620 -8.492 -4.369 1.00 0.00 C ATOM 773 C LYS A 51 -6.138 -8.349 -4.374 1.00 0.00 C ATOM 774 O LYS A 51 -6.676 -7.316 -3.974 1.00 0.00 O ATOM 775 CB LYS A 51 -4.219 -9.760 -3.612 1.00 0.00 C ATOM 776 CG LYS A 51 -4.899 -9.903 -2.262 1.00 0.00 C ATOM 777 CD LYS A 51 -5.105 -11.363 -1.893 1.00 0.00 C ATOM 778 CE LYS A 51 -3.910 -11.920 -1.134 1.00 0.00 C ATOM 779 NZ LYS A 51 -3.989 -11.619 0.322 1.00 0.00 N ATOM 0 H LYS A 51 -4.484 -6.948 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.277 -8.568 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.459 -10.630 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.139 -9.760 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.296 -9.415 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.862 -9.393 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.003 -11.462 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.268 -11.949 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.858 -12.999 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.992 -11.499 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.033 -11.633 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.411 -10.678 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.578 -12.335 0.793 1.00 0.00 H new ATOM 793 N THR A 52 -6.825 -9.392 -4.829 1.00 0.00 N ATOM 794 CA THR A 52 -8.281 -9.382 -4.885 1.00 0.00 C ATOM 795 C THR A 52 -8.880 -10.245 -3.781 1.00 0.00 C ATOM 796 O THR A 52 -8.713 -11.464 -3.772 1.00 0.00 O ATOM 797 CB THR A 52 -8.794 -9.885 -6.248 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.249 -11.179 -6.530 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.416 -8.917 -7.359 1.00 0.00 C ATOM 0 H THR A 52 -6.396 -10.255 -5.164 1.00 0.00 H new ATOM 0 HA THR A 52 -8.595 -8.348 -4.745 1.00 0.00 H new ATOM 0 HB THR A 52 -9.881 -9.952 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.722 -11.486 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.789 -9.293 -8.312 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.857 -7.941 -7.157 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.331 -8.822 -7.406 1.00 0.00 H new ATOM 807 N ASN A 53 -9.580 -9.604 -2.849 1.00 0.00 N ATOM 808 CA ASN A 53 -10.204 -10.314 -1.739 1.00 0.00 C ATOM 809 C ASN A 53 -10.973 -11.534 -2.237 1.00 0.00 C ATOM 810 O ASN A 53 -10.964 -12.588 -1.601 1.00 0.00 O ATOM 811 CB ASN A 53 -11.146 -9.381 -0.975 1.00 0.00 C ATOM 812 CG ASN A 53 -10.421 -8.564 0.077 1.00 0.00 C ATOM 813 OD1 ASN A 53 -10.469 -8.880 1.266 1.00 0.00 O ATOM 814 ND2 ASN A 53 -9.745 -7.507 -0.357 1.00 0.00 N ATOM 0 H ASN A 53 -9.729 -8.595 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.415 -10.653 -1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.637 -8.709 -1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.929 -9.970 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.238 -6.919 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.733 -7.283 -1.352 1.00 0.00 H new ATOM 821 N ILE A 54 -11.637 -11.383 -3.378 1.00 0.00 N ATOM 822 CA ILE A 54 -12.409 -12.472 -3.962 1.00 0.00 C ATOM 823 C ILE A 54 -12.044 -12.681 -5.428 1.00 0.00 C ATOM 824 O ILE A 54 -12.124 -11.768 -6.250 1.00 0.00 O ATOM 825 CB ILE A 54 -13.923 -12.210 -3.855 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.333 -12.052 -2.389 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.704 -13.340 -4.509 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.744 -11.538 -2.208 1.00 0.00 C ATOM 0 H ILE A 54 -11.656 -10.517 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.163 -13.371 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.154 -11.283 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.239 -13.015 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.640 -11.368 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.772 -13.140 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.430 -13.410 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.470 -14.280 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.966 -11.451 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.838 -10.560 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.446 -12.232 -2.669 1.00 0.00 H new ATOM 840 N PRO A 55 -11.634 -13.913 -5.766 1.00 0.00 N ATOM 841 CA PRO A 55 -11.534 -15.008 -4.796 1.00 0.00 C ATOM 842 C PRO A 55 -10.400 -14.798 -3.799 1.00 0.00 C ATOM 843 O PRO A 55 -9.765 -13.744 -3.780 1.00 0.00 O ATOM 844 CB PRO A 55 -11.257 -16.233 -5.671 1.00 0.00 C ATOM 845 CG PRO A 55 -10.616 -15.684 -6.899 1.00 0.00 C ATOM 846 CD PRO A 55 -11.236 -14.332 -7.120 1.00 0.00 C ATOM 0 HA PRO A 55 -12.434 -15.097 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.601 -16.941 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.178 -16.766 -5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.536 -15.602 -6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.788 -16.337 -7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.528 -13.633 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.093 -14.388 -7.791 1.00 0.00 H new ATOM 854 N ALA A 56 -10.150 -15.807 -2.972 1.00 0.00 N ATOM 855 CA ALA A 56 -9.090 -15.733 -1.974 1.00 0.00 C ATOM 856 C ALA A 56 -7.810 -16.388 -2.483 1.00 0.00 C ATOM 857 O ALA A 56 -7.827 -17.121 -3.471 1.00 0.00 O ATOM 858 CB ALA A 56 -9.540 -16.389 -0.677 1.00 0.00 C ATOM 0 H ALA A 56 -10.667 -16.686 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.878 -14.681 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.739 -16.327 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.423 -15.875 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.781 -17.436 -0.863 1.00 0.00 H new ATOM 864 N ASN A 57 -6.701 -16.116 -1.803 1.00 0.00 N ATOM 865 CA ASN A 57 -5.412 -16.678 -2.187 1.00 0.00 C ATOM 866 C ASN A 57 -5.122 -16.416 -3.662 1.00 0.00 C ATOM 867 O ASN A 57 -4.698 -17.312 -4.393 1.00 0.00 O ATOM 868 CB ASN A 57 -5.384 -18.183 -1.911 1.00 0.00 C ATOM 869 CG ASN A 57 -3.972 -18.723 -1.793 1.00 0.00 C ATOM 870 OD1 ASN A 57 -3.002 -18.024 -2.083 1.00 0.00 O ATOM 871 ND2 ASN A 57 -3.852 -19.975 -1.366 1.00 0.00 N ATOM 0 H ASN A 57 -6.669 -15.510 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.640 -16.192 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.928 -18.391 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.904 -18.706 -2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.927 -20.394 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.685 -20.518 -1.137 1.00 0.00 H new ATOM 878 N THR A 58 -5.354 -15.180 -4.094 1.00 0.00 N ATOM 879 CA THR A 58 -5.119 -14.799 -5.481 1.00 0.00 C ATOM 880 C THR A 58 -3.704 -14.265 -5.673 1.00 0.00 C ATOM 881 O THR A 58 -3.165 -13.579 -4.804 1.00 0.00 O ATOM 882 CB THR A 58 -6.126 -13.731 -5.949 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.221 -12.687 -4.974 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.499 -14.346 -6.177 1.00 0.00 C ATOM 0 H THR A 58 -5.704 -14.426 -3.503 1.00 0.00 H new ATOM 0 HA THR A 58 -5.249 -15.699 -6.082 1.00 0.00 H new ATOM 0 HB THR A 58 -5.770 -13.315 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.915 -12.913 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.194 -13.573 -6.507 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.428 -15.121 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.860 -14.785 -5.247 1.00 0.00 H new ATOM 892 N LYS A 59 -3.106 -14.582 -6.816 1.00 0.00 N ATOM 893 CA LYS A 59 -1.754 -14.133 -7.124 1.00 0.00 C ATOM 894 C LYS A 59 -1.497 -12.745 -6.545 1.00 0.00 C ATOM 895 O LYS A 59 -2.382 -11.889 -6.544 1.00 0.00 O ATOM 896 CB LYS A 59 -1.532 -14.115 -8.638 1.00 0.00 C ATOM 897 CG LYS A 59 -0.097 -14.400 -9.046 1.00 0.00 C ATOM 898 CD LYS A 59 0.270 -13.682 -10.334 1.00 0.00 C ATOM 899 CE LYS A 59 1.737 -13.877 -10.682 1.00 0.00 C ATOM 900 NZ LYS A 59 2.181 -12.945 -11.756 1.00 0.00 N ATOM 0 H LYS A 59 -3.538 -15.149 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.053 -14.833 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.186 -14.854 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.825 -13.140 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.578 -14.087 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.039 -15.474 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.351 -14.054 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.058 -12.618 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.345 -13.721 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.900 -14.906 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.187 -13.109 -11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.618 -13.111 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.049 -11.963 -11.440 1.00 0.00 H new ATOM 914 N TYR A 60 -0.281 -12.529 -6.055 1.00 0.00 N ATOM 915 CA TYR A 60 0.092 -11.245 -5.473 1.00 0.00 C ATOM 916 C TYR A 60 0.687 -10.320 -6.530 1.00 0.00 C ATOM 917 O TYR A 60 1.211 -10.775 -7.547 1.00 0.00 O ATOM 918 CB TYR A 60 1.093 -11.449 -4.335 1.00 0.00 C ATOM 919 CG TYR A 60 0.444 -11.626 -2.982 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.229 -10.575 -2.369 1.00 0.00 C ATOM 921 CD2 TYR A 60 0.503 -12.843 -2.314 1.00 0.00 C ATOM 922 CE1 TYR A 60 -0.823 -10.732 -1.132 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.089 -13.009 -1.077 1.00 0.00 C ATOM 924 CZ TYR A 60 -0.751 -11.951 -0.490 1.00 0.00 C ATOM 925 OH TYR A 60 -1.341 -12.112 0.742 1.00 0.00 O ATOM 0 H TYR A 60 0.463 -13.227 -6.049 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.810 -10.779 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.704 -12.325 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.766 -10.592 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.288 -9.619 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.021 -13.674 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.341 -9.905 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.034 -13.962 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.199 -13.030 1.055 1.00 0.00 H new ATOM 935 N LYS A 61 0.602 -9.018 -6.282 1.00 0.00 N ATOM 936 CA LYS A 61 1.133 -8.026 -7.210 1.00 0.00 C ATOM 937 C LYS A 61 1.824 -6.893 -6.457 1.00 0.00 C ATOM 938 O LYS A 61 1.228 -6.258 -5.588 1.00 0.00 O ATOM 939 CB LYS A 61 0.010 -7.461 -8.083 1.00 0.00 C ATOM 940 CG LYS A 61 -0.206 -8.235 -9.372 1.00 0.00 C ATOM 941 CD LYS A 61 -0.712 -7.335 -10.485 1.00 0.00 C ATOM 942 CE LYS A 61 -0.781 -8.074 -11.813 1.00 0.00 C ATOM 943 NZ LYS A 61 -1.163 -7.170 -12.933 1.00 0.00 N ATOM 0 H LYS A 61 0.170 -8.624 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 61 1.868 -8.518 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.918 -7.459 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.237 -6.423 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.730 -8.702 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.922 -9.039 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.701 -6.956 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.055 -6.471 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.187 -8.528 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.504 -8.886 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.199 -7.712 -13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.098 -6.757 -12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.459 -6.409 -13.020 1.00 0.00 H new ATOM 957 N ASN A 62 3.085 -6.645 -6.799 1.00 0.00 N ATOM 958 CA ASN A 62 3.857 -5.587 -6.156 1.00 0.00 C ATOM 959 C ASN A 62 4.086 -4.422 -7.113 1.00 0.00 C ATOM 960 O ASN A 62 3.965 -4.571 -8.329 1.00 0.00 O ATOM 961 CB ASN A 62 5.200 -6.133 -5.668 1.00 0.00 C ATOM 962 CG ASN A 62 5.841 -7.073 -6.671 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.378 -6.638 -7.690 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.788 -8.368 -6.385 1.00 0.00 N ATOM 0 H ASN A 62 3.593 -7.162 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 62 3.287 -5.224 -5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.877 -5.302 -5.469 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.054 -6.658 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.203 -9.048 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.332 -8.683 -5.528 1.00 0.00 H new ATOM 971 N ALA A 63 4.419 -3.262 -6.556 1.00 0.00 N ATOM 972 CA ALA A 63 4.668 -2.072 -7.360 1.00 0.00 C ATOM 973 C ALA A 63 5.834 -1.265 -6.800 1.00 0.00 C ATOM 974 O ALA A 63 5.963 -1.104 -5.587 1.00 0.00 O ATOM 975 CB ALA A 63 3.415 -1.212 -7.433 1.00 0.00 C ATOM 0 H ALA A 63 4.523 -3.121 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 63 4.933 -2.394 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.616 -0.327 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.606 -1.785 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.124 -0.907 -6.428 1.00 0.00 H new ATOM 981 N ASN A 64 6.681 -0.761 -7.691 1.00 0.00 N ATOM 982 CA ASN A 64 7.838 0.029 -7.285 1.00 0.00 C ATOM 983 C ASN A 64 7.561 1.521 -7.441 1.00 0.00 C ATOM 984 O ASN A 64 7.316 2.004 -8.546 1.00 0.00 O ATOM 985 CB ASN A 64 9.065 -0.363 -8.111 1.00 0.00 C ATOM 986 CG ASN A 64 9.024 0.211 -9.514 1.00 0.00 C ATOM 987 OD1 ASN A 64 9.696 1.198 -9.813 1.00 0.00 O ATOM 988 ND2 ASN A 64 8.232 -0.407 -10.383 1.00 0.00 N ATOM 0 H ASN A 64 6.588 -0.885 -8.699 1.00 0.00 H new ATOM 0 HA ASN A 64 8.036 -0.177 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.966 -0.016 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.130 -1.450 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.163 -0.066 -11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.693 -1.222 -10.091 1.00 0.00 H new ATOM 995 N ALA A 65 7.602 2.245 -6.328 1.00 0.00 N ATOM 996 CA ALA A 65 7.358 3.682 -6.341 1.00 0.00 C ATOM 997 C ALA A 65 7.942 4.349 -5.101 1.00 0.00 C ATOM 998 O ALA A 65 7.551 4.041 -3.975 1.00 0.00 O ATOM 999 CB ALA A 65 5.866 3.963 -6.442 1.00 0.00 C ATOM 0 H ALA A 65 7.802 1.860 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 65 7.855 4.102 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.698 5.040 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.475 3.527 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.354 3.523 -5.586 1.00 0.00 H new ATOM 1005 N THR A 66 8.881 5.266 -5.315 1.00 0.00 N ATOM 1006 CA THR A 66 9.520 5.976 -4.214 1.00 0.00 C ATOM 1007 C THR A 66 8.769 7.260 -3.878 1.00 0.00 C ATOM 1008 O THR A 66 8.970 8.294 -4.515 1.00 0.00 O ATOM 1009 CB THR A 66 10.984 6.323 -4.544 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.043 7.116 -5.735 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.811 5.059 -4.728 1.00 0.00 C ATOM 0 H THR A 66 9.215 5.534 -6.241 1.00 0.00 H new ATOM 0 HA THR A 66 9.497 5.309 -3.352 1.00 0.00 H new ATOM 0 HB THR A 66 11.397 6.890 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.379 7.835 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.841 5.329 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.788 4.472 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.397 4.469 -5.546 1.00 0.00 H new ATOM 1019 N THR A 67 7.903 7.188 -2.872 1.00 0.00 N ATOM 1020 CA THR A 67 7.122 8.344 -2.451 1.00 0.00 C ATOM 1021 C THR A 67 6.294 8.026 -1.211 1.00 0.00 C ATOM 1022 O THR A 67 6.404 6.941 -0.640 1.00 0.00 O ATOM 1023 CB THR A 67 6.182 8.825 -3.573 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.394 9.928 -3.112 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.268 7.699 -4.033 1.00 0.00 C ATOM 0 H THR A 67 7.725 6.340 -2.333 1.00 0.00 H new ATOM 0 HA THR A 67 7.832 9.137 -2.217 1.00 0.00 H new ATOM 0 HB THR A 67 6.793 9.143 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.984 10.670 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.614 8.062 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.870 6.873 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.664 7.354 -3.193 1.00 0.00 H new ATOM 1033 N LEU A 68 5.465 8.979 -0.800 1.00 0.00 N ATOM 1034 CA LEU A 68 4.616 8.801 0.373 1.00 0.00 C ATOM 1035 C LEU A 68 3.148 8.696 -0.027 1.00 0.00 C ATOM 1036 O LEU A 68 2.255 8.884 0.799 1.00 0.00 O ATOM 1037 CB LEU A 68 4.810 9.963 1.349 1.00 0.00 C ATOM 1038 CG LEU A 68 5.978 9.832 2.326 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.434 11.203 2.801 1.00 0.00 C ATOM 1040 CD2 LEU A 68 5.588 8.958 3.510 1.00 0.00 C ATOM 0 H LEU A 68 5.362 9.883 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 68 4.906 7.872 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.947 10.877 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.893 10.084 1.925 1.00 0.00 H new ATOM 0 HG LEU A 68 6.809 9.356 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.266 11.089 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.755 11.797 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.608 11.707 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.432 8.876 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.741 9.406 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.312 7.965 3.154 1.00 0.00 H new ATOM 1052 N SER A 69 2.907 8.394 -1.299 1.00 0.00 N ATOM 1053 CA SER A 69 1.547 8.266 -1.809 1.00 0.00 C ATOM 1054 C SER A 69 1.529 7.483 -3.118 1.00 0.00 C ATOM 1055 O SER A 69 2.203 7.848 -4.082 1.00 0.00 O ATOM 1056 CB SER A 69 0.927 9.649 -2.020 1.00 0.00 C ATOM 1057 OG SER A 69 1.830 10.517 -2.682 1.00 0.00 O ATOM 0 H SER A 69 3.635 8.234 -1.995 1.00 0.00 H new ATOM 0 HA SER A 69 0.958 7.720 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.012 9.555 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.647 10.076 -1.057 1.00 0.00 H new ATOM 0 HG SER A 69 2.294 10.027 -3.392 1.00 0.00 H new ATOM 1063 N TYR A 70 0.754 6.404 -3.144 1.00 0.00 N ATOM 1064 CA TYR A 70 0.650 5.567 -4.333 1.00 0.00 C ATOM 1065 C TYR A 70 -0.787 5.520 -4.842 1.00 0.00 C ATOM 1066 O TYR A 70 -1.722 5.277 -4.077 1.00 0.00 O ATOM 1067 CB TYR A 70 1.143 4.151 -4.030 1.00 0.00 C ATOM 1068 CG TYR A 70 1.387 3.317 -5.267 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.356 3.039 -6.157 1.00 0.00 C ATOM 1070 CD2 TYR A 70 2.649 2.806 -5.546 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.575 2.277 -7.288 1.00 0.00 C ATOM 1072 CE2 TYR A 70 2.876 2.044 -6.676 1.00 0.00 C ATOM 1073 CZ TYR A 70 1.837 1.782 -7.544 1.00 0.00 C ATOM 1074 OH TYR A 70 2.059 1.023 -8.669 1.00 0.00 O ATOM 0 H TYR A 70 0.189 6.089 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 70 1.277 6.004 -5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.067 4.212 -3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.409 3.647 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.633 3.425 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.466 3.008 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.238 2.070 -7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.863 1.655 -6.879 1.00 0.00 H new ATOM 0 HH TYR A 70 2.838 1.371 -9.150 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.957 5.753 -6.138 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.280 5.737 -6.752 1.00 0.00 C ATOM 1086 C LEU A 71 -2.514 4.433 -7.508 1.00 0.00 C ATOM 1087 O LEU A 71 -1.989 4.236 -8.604 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.439 6.925 -7.702 1.00 0.00 C ATOM 1089 CG LEU A 71 -2.993 8.209 -7.083 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -2.653 9.410 -7.952 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.498 8.100 -6.885 1.00 0.00 C ATOM 0 H LEU A 71 -0.195 5.955 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.022 5.814 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.466 7.147 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.096 6.626 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.528 8.349 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.055 10.315 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.570 9.499 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.089 9.278 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.875 9.023 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.981 7.935 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.718 7.264 -6.221 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.307 3.545 -6.916 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.613 2.261 -7.535 1.00 0.00 C ATOM 1105 C VAL A 72 -4.753 2.393 -8.539 1.00 0.00 C ATOM 1106 O VAL A 72 -5.874 2.754 -8.179 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.993 1.205 -6.480 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -4.247 -0.142 -7.139 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.904 1.094 -5.423 1.00 0.00 C ATOM 0 H VAL A 72 -3.749 3.692 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.711 1.937 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.914 1.521 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.514 -0.875 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.064 -0.049 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.346 -0.469 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.188 0.344 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.967 0.801 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.776 2.058 -4.930 1.00 0.00 H new ATOM 1119 N THR A 73 -4.460 2.097 -9.802 1.00 0.00 N ATOM 1120 CA THR A 73 -5.460 2.183 -10.859 1.00 0.00 C ATOM 1121 C THR A 73 -5.652 0.835 -11.544 1.00 0.00 C ATOM 1122 O THR A 73 -4.811 -0.055 -11.431 1.00 0.00 O ATOM 1123 CB THR A 73 -5.070 3.233 -11.916 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.781 2.927 -12.459 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.054 4.629 -11.312 1.00 0.00 C ATOM 0 H THR A 73 -3.538 1.796 -10.117 1.00 0.00 H new ATOM 0 HA THR A 73 -6.395 2.484 -10.387 1.00 0.00 H new ATOM 0 HB THR A 73 -5.814 3.208 -12.712 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.541 3.598 -13.131 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.776 5.353 -12.077 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.045 4.870 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.330 4.665 -10.498 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.766 0.692 -12.256 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.048 -0.551 -12.951 1.00 0.00 C ATOM 1135 C GLY A 74 -7.673 -1.592 -12.044 1.00 0.00 C ATOM 1136 O GLY A 74 -7.387 -2.784 -12.165 1.00 0.00 O ATOM 0 H GLY A 74 -7.478 1.414 -12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.718 -0.352 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.123 -0.947 -13.371 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.527 -1.143 -11.131 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.194 -2.045 -10.198 1.00 0.00 C ATOM 1142 C LEU A 75 -10.595 -2.396 -10.687 1.00 0.00 C ATOM 1143 O LEU A 75 -11.060 -1.874 -11.701 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.271 -1.408 -8.809 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.937 -1.003 -8.181 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.157 0.003 -7.062 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.199 -2.228 -7.662 1.00 0.00 C ATOM 0 H LEU A 75 -8.774 -0.160 -11.017 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.610 -2.963 -10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.904 -0.523 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.768 -2.108 -8.137 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.324 -0.532 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.196 0.279 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.643 0.892 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.789 -0.441 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.252 -1.921 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.808 -2.727 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.008 -2.914 -8.487 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.265 -3.283 -9.959 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.616 -3.703 -10.316 1.00 0.00 C ATOM 1161 C LYS A 76 -13.652 -2.994 -9.451 1.00 0.00 C ATOM 1162 O LYS A 76 -13.477 -2.825 -8.244 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.758 -5.219 -10.162 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.129 -6.007 -11.298 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.995 -5.974 -12.546 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.651 -7.113 -13.494 1.00 0.00 C ATOM 1167 NZ LYS A 76 -13.113 -8.429 -12.970 1.00 0.00 N ATOM 0 H LYS A 76 -10.895 -3.725 -9.118 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.791 -3.432 -11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.300 -5.525 -9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.816 -5.472 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.145 -5.596 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.979 -7.040 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.046 -6.040 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.862 -5.021 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.109 -6.928 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.573 -7.142 -13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.127 -9.125 -13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.464 -8.753 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.071 -8.329 -12.577 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.758 -2.569 -10.079 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.846 -1.874 -9.384 1.00 0.00 C ATOM 1183 C PRO A 77 -16.615 -2.794 -8.443 1.00 0.00 C ATOM 1184 O PRO A 77 -16.672 -4.005 -8.653 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.749 -1.399 -10.525 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.481 -2.349 -11.641 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.033 -2.737 -11.516 1.00 0.00 C ATOM 0 HA PRO A 77 -15.476 -1.068 -8.751 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.799 -1.418 -10.233 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.516 -0.374 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.127 -3.224 -11.572 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.678 -1.883 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.863 -3.764 -11.840 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.392 -2.100 -12.125 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.206 -2.211 -7.405 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.973 -2.980 -6.431 1.00 0.00 C ATOM 1197 C ASN A 78 -17.221 -4.244 -6.023 1.00 0.00 C ATOM 1198 O ASN A 78 -17.777 -5.342 -6.034 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.341 -3.351 -7.006 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.314 -3.806 -5.936 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.941 -3.978 -4.775 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -21.569 -4.003 -6.322 1.00 0.00 N ATOM 0 H ASN A 78 -17.169 -1.209 -7.217 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.115 -2.360 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.757 -2.490 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.219 -4.144 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -22.268 -4.309 -5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -21.834 -3.848 -7.295 1.00 0.00 H new ATOM 1209 N THR A 79 -15.952 -4.080 -5.661 1.00 0.00 N ATOM 1210 CA THR A 79 -15.124 -5.206 -5.249 1.00 0.00 C ATOM 1211 C THR A 79 -14.191 -4.814 -4.108 1.00 0.00 C ATOM 1212 O THR A 79 -13.593 -3.738 -4.124 1.00 0.00 O ATOM 1213 CB THR A 79 -14.283 -5.744 -6.422 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.143 -6.180 -7.481 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.400 -6.897 -5.971 1.00 0.00 C ATOM 0 H THR A 79 -15.476 -3.178 -5.645 1.00 0.00 H new ATOM 0 HA THR A 79 -15.802 -5.989 -4.908 1.00 0.00 H new ATOM 0 HB THR A 79 -13.644 -4.938 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.623 -5.410 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.816 -7.260 -6.816 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.727 -6.554 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.024 -7.704 -5.587 1.00 0.00 H new ATOM 1223 N LEU A 80 -14.071 -5.694 -3.120 1.00 0.00 N ATOM 1224 CA LEU A 80 -13.210 -5.440 -1.970 1.00 0.00 C ATOM 1225 C LEU A 80 -11.739 -5.557 -2.355 1.00 0.00 C ATOM 1226 O LEU A 80 -11.309 -6.573 -2.902 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.533 -6.419 -0.840 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.689 -6.282 0.428 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -12.849 -4.894 1.028 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.072 -7.351 1.441 1.00 0.00 C ATOM 0 H LEU A 80 -14.559 -6.589 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.396 -4.423 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.582 -6.297 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.418 -7.434 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.641 -6.421 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.241 -4.815 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.525 -4.145 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.896 -4.725 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.462 -7.239 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.125 -7.243 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.905 -8.338 1.009 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.971 -4.513 -2.065 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.548 -4.498 -2.381 1.00 0.00 C ATOM 1244 C TYR A 81 -8.731 -3.999 -1.193 1.00 0.00 C ATOM 1245 O TYR A 81 -9.133 -3.066 -0.499 1.00 0.00 O ATOM 1246 CB TYR A 81 -9.284 -3.616 -3.603 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.417 -4.349 -4.919 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.635 -4.411 -5.583 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -8.322 -4.979 -5.498 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.760 -5.080 -6.785 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -8.438 -5.650 -6.701 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.659 -5.697 -7.340 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.779 -6.364 -8.538 1.00 0.00 O ATOM 0 H TYR A 81 -11.311 -3.665 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.241 -5.519 -2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.980 -2.777 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.280 -3.198 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.499 -3.928 -5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.364 -4.944 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.715 -5.120 -7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.577 -6.135 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.888 -6.533 -8.909 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.582 -4.627 -0.968 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.708 -4.247 0.136 1.00 0.00 C ATOM 1265 C GLU A 82 -5.334 -3.826 -0.379 1.00 0.00 C ATOM 1266 O GLU A 82 -4.972 -4.110 -1.521 1.00 0.00 O ATOM 1267 CB GLU A 82 -6.561 -5.408 1.122 1.00 0.00 C ATOM 1268 CG GLU A 82 -5.558 -6.459 0.680 1.00 0.00 C ATOM 1269 CD GLU A 82 -6.100 -7.361 -0.412 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -6.326 -6.862 -1.534 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -6.299 -8.564 -0.145 1.00 0.00 O ATOM 0 H GLU A 82 -7.234 -5.401 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.161 -3.399 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.258 -5.014 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.533 -5.881 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.654 -5.966 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.272 -7.066 1.539 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.573 -3.146 0.473 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.240 -2.684 0.105 1.00 0.00 C ATOM 1280 C PHE A 83 -2.309 -2.693 1.314 1.00 0.00 C ATOM 1281 O PHE A 83 -2.754 -2.573 2.455 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.311 -1.274 -0.486 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.310 -1.142 -1.600 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -5.642 -0.873 -1.326 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -3.918 -1.286 -2.921 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -6.564 -0.750 -2.348 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -4.835 -1.163 -3.948 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.160 -0.896 -3.661 1.00 0.00 C ATOM 0 H PHE A 83 -4.857 -2.903 1.422 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.840 -3.366 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.566 -0.569 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.325 -0.994 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.963 -0.758 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.884 -1.497 -3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -7.599 -0.540 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.516 -1.275 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.879 -0.802 -4.462 1.00 0.00 H new ATOM 1298 N SER A 84 -1.013 -2.838 1.054 1.00 0.00 N ATOM 1299 CA SER A 84 -0.018 -2.868 2.120 1.00 0.00 C ATOM 1300 C SER A 84 1.297 -2.253 1.652 1.00 0.00 C ATOM 1301 O SER A 84 1.845 -2.640 0.619 1.00 0.00 O ATOM 1302 CB SER A 84 0.215 -4.306 2.587 1.00 0.00 C ATOM 1303 OG SER A 84 -1.008 -4.940 2.918 1.00 0.00 O ATOM 0 H SER A 84 -0.628 -2.936 0.115 1.00 0.00 H new ATOM 0 HA SER A 84 -0.397 -2.279 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.719 -4.869 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.875 -4.307 3.454 1.00 0.00 H new ATOM 0 HG SER A 84 -0.831 -5.858 3.212 1.00 0.00 H new ATOM 1309 N VAL A 85 1.800 -1.293 2.421 1.00 0.00 N ATOM 1310 CA VAL A 85 3.052 -0.624 2.088 1.00 0.00 C ATOM 1311 C VAL A 85 4.171 -1.048 3.033 1.00 0.00 C ATOM 1312 O VAL A 85 3.949 -1.233 4.229 1.00 0.00 O ATOM 1313 CB VAL A 85 2.902 0.908 2.143 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.145 1.587 1.588 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.660 1.349 1.384 1.00 0.00 C ATOM 0 H VAL A 85 1.360 -0.961 3.279 1.00 0.00 H new ATOM 0 HA VAL A 85 3.308 -0.921 1.071 1.00 0.00 H new ATOM 0 HB VAL A 85 2.789 1.207 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.020 2.669 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.013 1.296 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.293 1.284 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.570 2.434 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.741 1.039 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.778 0.891 1.832 1.00 0.00 H new ATOM 1325 N MET A 86 5.373 -1.200 2.487 1.00 0.00 N ATOM 1326 CA MET A 86 6.528 -1.602 3.282 1.00 0.00 C ATOM 1327 C MET A 86 7.790 -0.890 2.806 1.00 0.00 C ATOM 1328 O MET A 86 7.919 -0.554 1.629 1.00 0.00 O ATOM 1329 CB MET A 86 6.724 -3.117 3.207 1.00 0.00 C ATOM 1330 CG MET A 86 7.359 -3.584 1.907 1.00 0.00 C ATOM 1331 SD MET A 86 7.895 -5.304 1.974 1.00 0.00 S ATOM 1332 CE MET A 86 9.472 -5.135 2.805 1.00 0.00 C ATOM 0 H MET A 86 5.573 -1.051 1.498 1.00 0.00 H new ATOM 0 HA MET A 86 6.341 -1.318 4.318 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.348 -3.436 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.757 -3.607 3.326 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.644 -3.462 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.215 -2.950 1.677 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.276 -5.397 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.600 -4.105 3.137 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.502 -5.801 3.668 1.00 0.00 H new ATOM 1342 N VAL A 87 8.719 -0.662 3.729 1.00 0.00 N ATOM 1343 CA VAL A 87 9.971 0.010 3.403 1.00 0.00 C ATOM 1344 C VAL A 87 11.147 -0.959 3.466 1.00 0.00 C ATOM 1345 O VAL A 87 11.168 -1.876 4.288 1.00 0.00 O ATOM 1346 CB VAL A 87 10.240 1.189 4.357 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.375 0.697 5.790 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.486 1.948 3.926 1.00 0.00 C ATOM 0 H VAL A 87 8.628 -0.933 4.708 1.00 0.00 H new ATOM 0 HA VAL A 87 9.871 0.390 2.386 1.00 0.00 H new ATOM 0 HB VAL A 87 9.392 1.872 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.565 1.544 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.453 0.201 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.204 -0.007 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.662 2.778 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.345 1.277 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.346 2.334 2.916 1.00 0.00 H new ATOM 1358 N THR A 88 12.126 -0.749 2.592 1.00 0.00 N ATOM 1359 CA THR A 88 13.306 -1.604 2.547 1.00 0.00 C ATOM 1360 C THR A 88 14.575 -0.780 2.360 1.00 0.00 C ATOM 1361 O THR A 88 14.609 0.154 1.559 1.00 0.00 O ATOM 1362 CB THR A 88 13.207 -2.638 1.410 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.040 -3.448 1.585 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.444 -3.523 1.374 1.00 0.00 C ATOM 0 H THR A 88 12.125 0.006 1.906 1.00 0.00 H new ATOM 0 HA THR A 88 13.354 -2.128 3.502 1.00 0.00 H new ATOM 0 HB THR A 88 13.137 -2.100 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.983 -4.102 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.351 -4.245 0.563 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.328 -2.906 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.540 -4.052 2.322 1.00 0.00 H new ATOM 1372 N LYS A 89 15.618 -1.132 3.103 1.00 0.00 N ATOM 1373 CA LYS A 89 16.892 -0.427 3.019 1.00 0.00 C ATOM 1374 C LYS A 89 17.996 -1.355 2.523 1.00 0.00 C ATOM 1375 O LYS A 89 18.894 -1.725 3.278 1.00 0.00 O ATOM 1376 CB LYS A 89 17.270 0.150 4.385 1.00 0.00 C ATOM 1377 CG LYS A 89 18.365 1.201 4.319 1.00 0.00 C ATOM 1378 CD LYS A 89 17.852 2.505 3.731 1.00 0.00 C ATOM 1379 CE LYS A 89 17.168 3.360 4.786 1.00 0.00 C ATOM 1380 NZ LYS A 89 16.795 4.701 4.256 1.00 0.00 N ATOM 0 H LYS A 89 15.606 -1.902 3.771 1.00 0.00 H new ATOM 0 HA LYS A 89 16.781 0.389 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.383 0.589 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.596 -0.662 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.758 1.382 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.192 0.829 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.682 3.060 3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.151 2.291 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.274 2.849 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.831 3.480 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.172 5.182 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.654 5.269 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.298 4.590 3.349 1.00 0.00 H new ATOM 1394 N GLY A 90 17.923 -1.727 1.249 1.00 0.00 N ATOM 1395 CA GLY A 90 18.923 -2.608 0.675 1.00 0.00 C ATOM 1396 C GLY A 90 18.845 -4.015 1.232 1.00 0.00 C ATOM 1397 O GLY A 90 18.225 -4.894 0.632 1.00 0.00 O ATOM 0 H GLY A 90 17.189 -1.434 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.795 -2.641 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.915 -2.199 0.866 1.00 0.00 H new ATOM 1401 N ARG A 91 19.476 -4.231 2.381 1.00 0.00 N ATOM 1402 CA ARG A 91 19.478 -5.543 3.018 1.00 0.00 C ATOM 1403 C ARG A 91 18.397 -5.627 4.092 1.00 0.00 C ATOM 1404 O ARG A 91 17.794 -6.680 4.298 1.00 0.00 O ATOM 1405 CB ARG A 91 20.848 -5.833 3.633 1.00 0.00 C ATOM 1406 CG ARG A 91 21.077 -7.303 3.945 1.00 0.00 C ATOM 1407 CD ARG A 91 21.385 -8.098 2.686 1.00 0.00 C ATOM 1408 NE ARG A 91 20.171 -8.572 2.027 1.00 0.00 N ATOM 1409 CZ ARG A 91 19.442 -9.589 2.474 1.00 0.00 C ATOM 1410 NH1 ARG A 91 19.802 -10.233 3.575 1.00 0.00 N ATOM 1411 NH2 ARG A 91 18.350 -9.962 1.819 1.00 0.00 N ATOM 0 H ARG A 91 19.993 -3.514 2.890 1.00 0.00 H new ATOM 0 HA ARG A 91 19.266 -6.291 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.624 -5.490 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.955 -5.255 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.902 -7.402 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 91 20.192 -7.715 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 91 21.953 -7.476 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.016 -8.950 2.940 1.00 0.00 H new ATOM 0 HE ARG A 91 19.866 -8.097 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 91 20.640 -9.948 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 91 19.241 -11.013 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 91 18.070 -9.468 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.791 -10.743 2.163 1.00 0.00 H new ATOM 1425 N ARG A 92 18.159 -4.511 4.773 1.00 0.00 N ATOM 1426 CA ARG A 92 17.153 -4.460 5.827 1.00 0.00 C ATOM 1427 C ARG A 92 15.762 -4.237 5.241 1.00 0.00 C ATOM 1428 O ARG A 92 15.622 -3.804 4.097 1.00 0.00 O ATOM 1429 CB ARG A 92 17.483 -3.345 6.822 1.00 0.00 C ATOM 1430 CG ARG A 92 18.843 -3.501 7.482 1.00 0.00 C ATOM 1431 CD ARG A 92 19.955 -2.944 6.605 1.00 0.00 C ATOM 1432 NE ARG A 92 21.075 -2.442 7.395 1.00 0.00 N ATOM 1433 CZ ARG A 92 22.305 -2.296 6.916 1.00 0.00 C ATOM 1434 NH1 ARG A 92 22.571 -2.611 5.655 1.00 0.00 N ATOM 1435 NH2 ARG A 92 23.273 -1.832 7.697 1.00 0.00 N ATOM 0 H ARG A 92 18.649 -3.631 4.614 1.00 0.00 H new ATOM 0 HA ARG A 92 17.160 -5.417 6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.447 -2.386 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.714 -3.320 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.844 -2.986 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.032 -4.555 7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.308 -3.723 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.559 -2.140 5.985 1.00 0.00 H new ATOM 0 HE ARG A 92 20.904 -2.190 8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.830 -2.966 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 92 23.517 -2.498 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.073 -1.587 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 92 24.217 -1.721 7.327 1.00 0.00 H new ATOM 1449 N SER A 93 14.737 -4.538 6.032 1.00 0.00 N ATOM 1450 CA SER A 93 13.357 -4.376 5.589 1.00 0.00 C ATOM 1451 C SER A 93 12.399 -4.412 6.776 1.00 0.00 C ATOM 1452 O SER A 93 12.749 -4.887 7.856 1.00 0.00 O ATOM 1453 CB SER A 93 12.988 -5.471 4.587 1.00 0.00 C ATOM 1454 OG SER A 93 13.175 -6.759 5.148 1.00 0.00 O ATOM 0 H SER A 93 14.836 -4.895 6.982 1.00 0.00 H new ATOM 0 HA SER A 93 13.269 -3.405 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.949 -5.352 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.599 -5.369 3.690 1.00 0.00 H new ATOM 0 HG SER A 93 12.931 -7.442 4.489 1.00 0.00 H new ATOM 1460 N SER A 94 11.188 -3.906 6.566 1.00 0.00 N ATOM 1461 CA SER A 94 10.179 -3.876 7.618 1.00 0.00 C ATOM 1462 C SER A 94 8.980 -4.744 7.246 1.00 0.00 C ATOM 1463 O SER A 94 8.740 -5.022 6.071 1.00 0.00 O ATOM 1464 CB SER A 94 9.722 -2.439 7.875 1.00 0.00 C ATOM 1465 OG SER A 94 8.850 -1.991 6.852 1.00 0.00 O ATOM 0 H SER A 94 10.882 -3.511 5.677 1.00 0.00 H new ATOM 0 HA SER A 94 10.627 -4.276 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.217 -2.382 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.590 -1.782 7.931 1.00 0.00 H new ATOM 0 HG SER A 94 9.098 -2.412 6.003 1.00 0.00 H new ATOM 1471 N THR A 95 8.230 -5.171 8.257 1.00 0.00 N ATOM 1472 CA THR A 95 7.058 -6.009 8.039 1.00 0.00 C ATOM 1473 C THR A 95 6.027 -5.295 7.172 1.00 0.00 C ATOM 1474 O THR A 95 6.222 -4.145 6.778 1.00 0.00 O ATOM 1475 CB THR A 95 6.399 -6.412 9.372 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.574 -7.567 9.181 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.562 -5.271 9.930 1.00 0.00 C ATOM 0 H THR A 95 8.414 -4.950 9.236 1.00 0.00 H new ATOM 0 HA THR A 95 7.402 -6.907 7.526 1.00 0.00 H new ATOM 0 HB THR A 95 7.189 -6.644 10.086 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.160 -7.818 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.107 -5.580 10.871 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.199 -4.403 10.102 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.780 -5.011 9.217 1.00 0.00 H new ATOM 1485 N TRP A 96 4.930 -5.984 6.878 1.00 0.00 N ATOM 1486 CA TRP A 96 3.867 -5.415 6.057 1.00 0.00 C ATOM 1487 C TRP A 96 2.894 -4.608 6.909 1.00 0.00 C ATOM 1488 O TRP A 96 2.307 -5.127 7.858 1.00 0.00 O ATOM 1489 CB TRP A 96 3.117 -6.523 5.316 1.00 0.00 C ATOM 1490 CG TRP A 96 3.915 -7.143 4.209 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.402 -8.418 4.163 1.00 0.00 C ATOM 1492 CD2 TRP A 96 4.319 -6.513 2.988 1.00 0.00 C ATOM 1493 NE1 TRP A 96 5.085 -8.618 2.988 1.00 0.00 N ATOM 1494 CE2 TRP A 96 5.048 -7.466 2.249 1.00 0.00 C ATOM 1495 CE3 TRP A 96 4.135 -5.238 2.447 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.591 -7.181 1.000 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.675 -4.957 1.206 1.00 0.00 C ATOM 1498 CH2 TRP A 96 5.396 -5.925 0.493 1.00 0.00 C ATOM 0 H TRP A 96 4.753 -6.937 7.196 1.00 0.00 H new ATOM 0 HA TRP A 96 4.324 -4.746 5.328 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.833 -7.298 6.028 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.194 -6.115 4.904 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.270 -9.160 4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.545 -9.485 2.711 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.581 -4.486 2.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 6.147 -7.925 0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.539 -3.975 0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.805 -5.675 -0.475 1.00 0.00 H new ATOM 1509 N SER A 97 2.728 -3.335 6.565 1.00 0.00 N ATOM 1510 CA SER A 97 1.828 -2.455 7.301 1.00 0.00 C ATOM 1511 C SER A 97 0.431 -3.060 7.393 1.00 0.00 C ATOM 1512 O SER A 97 0.100 -3.998 6.667 1.00 0.00 O ATOM 1513 CB SER A 97 1.758 -1.083 6.628 1.00 0.00 C ATOM 1514 OG SER A 97 1.259 -1.188 5.306 1.00 0.00 O ATOM 0 H SER A 97 3.205 -2.890 5.781 1.00 0.00 H new ATOM 0 HA SER A 97 2.221 -2.337 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.117 -0.421 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.750 -0.632 6.611 1.00 0.00 H new ATOM 0 HG SER A 97 0.282 -1.263 5.330 1.00 0.00 H new ATOM 1520 N MET A 98 -0.385 -2.517 8.291 1.00 0.00 N ATOM 1521 CA MET A 98 -1.747 -3.003 8.478 1.00 0.00 C ATOM 1522 C MET A 98 -2.518 -2.980 7.161 1.00 0.00 C ATOM 1523 O MET A 98 -2.871 -1.914 6.654 1.00 0.00 O ATOM 1524 CB MET A 98 -2.475 -2.155 9.523 1.00 0.00 C ATOM 1525 CG MET A 98 -2.482 -0.669 9.201 1.00 0.00 C ATOM 1526 SD MET A 98 -3.087 0.335 10.572 1.00 0.00 S ATOM 1527 CE MET A 98 -1.544 0.845 11.325 1.00 0.00 C ATOM 0 H MET A 98 -0.127 -1.741 8.900 1.00 0.00 H new ATOM 0 HA MET A 98 -1.693 -4.033 8.830 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.504 -2.505 9.610 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.004 -2.306 10.494 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.472 -0.352 8.942 1.00 0.00 H new ATOM 0 HG3 MET A 98 -3.106 -0.494 8.324 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.752 1.475 12.190 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.986 -0.036 11.643 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.954 1.407 10.601 1.00 0.00 H new ATOM 1537 N THR A 99 -2.776 -4.162 6.611 1.00 0.00 N ATOM 1538 CA THR A 99 -3.503 -4.278 5.353 1.00 0.00 C ATOM 1539 C THR A 99 -4.711 -3.349 5.329 1.00 0.00 C ATOM 1540 O THR A 99 -5.696 -3.578 6.030 1.00 0.00 O ATOM 1541 CB THR A 99 -3.976 -5.723 5.108 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.880 -6.631 5.267 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.564 -5.871 3.713 1.00 0.00 C ATOM 0 H THR A 99 -2.492 -5.053 7.017 1.00 0.00 H new ATOM 0 HA THR A 99 -2.811 -3.991 4.561 1.00 0.00 H new ATOM 0 HB THR A 99 -4.750 -5.957 5.839 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.189 -7.548 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.891 -6.900 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.416 -5.200 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.807 -5.619 2.970 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.629 -2.299 4.518 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.717 -1.337 4.401 1.00 0.00 C ATOM 1553 C ALA A 100 -6.745 -1.793 3.371 1.00 0.00 C ATOM 1554 O ALA A 100 -6.403 -2.079 2.223 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.172 0.035 4.033 1.00 0.00 C ATOM 0 H ALA A 100 -3.820 -2.093 3.932 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.215 -1.271 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.996 0.743 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.482 0.372 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.647 -0.026 3.080 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.005 -1.859 3.789 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.083 -2.281 2.902 1.00 0.00 C ATOM 1563 C HIS A 101 -9.853 -1.076 2.371 1.00 0.00 C ATOM 1564 O HIS A 101 -10.086 -0.108 3.094 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.035 -3.227 3.635 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.402 -4.524 4.034 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -8.915 -4.766 5.301 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -9.178 -5.655 3.324 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.418 -5.988 5.354 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.565 -6.550 4.167 1.00 0.00 N ATOM 0 H HIS A 101 -8.304 -1.626 4.736 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.639 -2.807 2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.414 -2.728 4.527 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.893 -3.433 2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.434 -5.822 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.968 -6.450 6.220 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.271 -7.494 3.917 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.246 -1.142 1.102 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.984 -0.049 0.496 1.00 0.00 C ATOM 1581 C GLY A 102 -11.929 -0.521 -0.592 1.00 0.00 C ATOM 1582 O GLY A 102 -11.492 -1.005 -1.637 1.00 0.00 O ATOM 0 H GLY A 102 -10.066 -1.933 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.553 0.472 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.282 0.671 0.076 1.00 0.00 H new ATOM 1586 N THR A 103 -13.228 -0.381 -0.347 1.00 0.00 N ATOM 1587 CA THR A 103 -14.236 -0.799 -1.313 1.00 0.00 C ATOM 1588 C THR A 103 -14.567 0.328 -2.285 1.00 0.00 C ATOM 1589 O THR A 103 -14.979 1.414 -1.876 1.00 0.00 O ATOM 1590 CB THR A 103 -15.531 -1.254 -0.612 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.250 -2.338 0.280 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.574 -1.686 -1.631 1.00 0.00 C ATOM 0 H THR A 103 -13.606 0.018 0.512 1.00 0.00 H new ATOM 0 HA THR A 103 -13.815 -1.639 -1.865 1.00 0.00 H new ATOM 0 HB THR A 103 -15.927 -0.411 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.077 -2.620 0.723 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.479 -2.003 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.807 -0.850 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 103 -16.184 -2.515 -2.221 1.00 0.00 H new ATOM 1600 N THR A 104 -14.386 0.063 -3.575 1.00 0.00 N ATOM 1601 CA THR A 104 -14.665 1.055 -4.606 1.00 0.00 C ATOM 1602 C THR A 104 -16.157 1.130 -4.907 1.00 0.00 C ATOM 1603 O THR A 104 -16.915 0.220 -4.571 1.00 0.00 O ATOM 1604 CB THR A 104 -13.905 0.740 -5.908 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.256 -0.566 -6.377 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.401 0.819 -5.690 1.00 0.00 C ATOM 0 H THR A 104 -14.047 -0.831 -3.931 1.00 0.00 H new ATOM 0 HA THR A 104 -14.327 2.017 -4.220 1.00 0.00 H new ATOM 0 HB THR A 104 -14.187 1.482 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.610 -0.854 -7.056 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.886 0.593 -6.623 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.133 1.823 -5.362 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.105 0.098 -4.928 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.573 2.221 -5.542 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.977 2.415 -5.888 1.00 0.00 C ATOM 1616 C PHE A 105 -18.352 1.595 -7.119 1.00 0.00 C ATOM 1617 O PHE A 105 -17.500 0.950 -7.730 1.00 0.00 O ATOM 1618 CB PHE A 105 -18.261 3.897 -6.143 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.859 4.789 -5.003 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.442 4.644 -3.754 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.900 5.772 -5.180 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.075 5.463 -2.703 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.528 6.594 -4.133 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.117 6.440 -2.893 1.00 0.00 C ATOM 0 H PHE A 105 -15.959 2.984 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.583 2.075 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.732 4.210 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.326 4.027 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.192 3.882 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.437 5.898 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.537 5.339 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.778 7.356 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.829 7.082 -2.074 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.632 1.624 -7.474 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.120 0.882 -8.631 1.00 0.00 C ATOM 1636 C GLU A 106 -19.841 1.643 -9.923 1.00 0.00 C ATOM 1637 O GLU A 106 -19.974 2.867 -9.978 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.621 0.615 -8.497 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.947 -0.689 -7.790 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.406 -1.078 -7.926 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -23.913 -1.094 -9.067 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -24.042 -1.367 -6.890 1.00 0.00 O ATOM 0 H GLU A 106 -20.350 2.153 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.591 -0.070 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.081 1.439 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.069 0.602 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.323 -1.485 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.696 -0.597 -6.733 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.452 0.912 -10.962 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.152 1.517 -12.255 1.00 0.00 C ATOM 1651 C LEU A 107 -20.435 1.900 -12.987 1.00 0.00 C ATOM 1652 O LEU A 107 -20.981 1.110 -13.756 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.330 0.554 -13.113 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.425 1.197 -14.164 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -16.513 0.155 -14.793 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -18.257 1.894 -15.230 1.00 0.00 C ATOM 0 H LEU A 107 -19.337 -0.101 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.571 2.422 -12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.711 -0.052 -12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.016 -0.125 -13.620 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.803 1.944 -13.672 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -15.876 0.631 -15.539 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -15.891 -0.298 -14.021 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.117 -0.616 -15.271 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.596 2.346 -15.970 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.905 1.167 -15.719 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.867 2.669 -14.766 1.00 0.00 H new