USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 648 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 82 LYS NZ :NH3+ 164:sc= 0.638 (180deg=0.912) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.209 X(o=0.43,f=0.4) USER MOD Set 2.1: A 36 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.759 K(o=-0.72,f=-1.8!) USER MOD Set 3.2: A 38 ASN : amide:sc= 0.0429 X(o=-0.72,f=-0.82) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 154:sc= 0.0976 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00211 USER MOD Single : A 30 SER OG : rot 56:sc= 0.802 USER MOD Single : A 41 SER OG : rot 180:sc= -0.255 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 52 SER OG : rot 26:sc= 0.208 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.58) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 61 CYS SG : rot 180:sc= -6.5! USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.000837 USER MOD Single : A 69 TYR OH : rot 177:sc= 0.916 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 171:sc= -2.3! (180deg=-2.9!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 77 TYR OH : rot -22:sc= 1.24 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.066 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 8:sc= 0.179 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= -0.05 (180deg=-0.305) USER MOD Single : A 97 LYS NZ :NH3+ -139:sc= -0.342 (180deg=-2.12!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.258 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.275 -16.711 0.654 1.00 0.00 N ATOM 84 CA ASP A 10 6.311 -17.030 1.700 1.00 0.00 C ATOM 85 C ASP A 10 5.623 -15.767 2.208 1.00 0.00 C ATOM 86 O ASP A 10 6.251 -14.873 2.775 1.00 0.00 O ATOM 87 CB ASP A 10 7.003 -17.750 2.859 1.00 0.00 C ATOM 88 CG ASP A 10 7.139 -19.240 2.616 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.126 -19.958 2.747 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.259 -19.688 2.294 1.00 0.00 O ATOM 0 HA ASP A 10 5.554 -17.688 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.992 -17.318 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.437 -17.584 3.776 1.00 0.00 H new ATOM 95 N PRO A 11 4.300 -15.689 2.000 1.00 0.00 N ATOM 96 CA PRO A 11 3.497 -14.540 2.428 1.00 0.00 C ATOM 97 C PRO A 11 3.362 -14.461 3.945 1.00 0.00 C ATOM 98 O PRO A 11 3.397 -13.376 4.525 1.00 0.00 O ATOM 99 CB PRO A 11 2.134 -14.799 1.783 1.00 0.00 C ATOM 100 CG PRO A 11 2.074 -16.276 1.603 1.00 0.00 C ATOM 101 CD PRO A 11 3.486 -16.718 1.330 1.00 0.00 C ATOM 0 HA PRO A 11 3.950 -13.594 2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.322 -14.444 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.043 -14.280 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.679 -16.762 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.415 -16.542 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.682 -17.711 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.694 -16.762 0.261 1.00 0.00 H new ATOM 109 N GLY A 12 3.207 -15.617 4.582 1.00 0.00 N ATOM 110 CA GLY A 12 3.070 -15.656 6.026 1.00 0.00 C ATOM 111 C GLY A 12 4.159 -14.875 6.734 1.00 0.00 C ATOM 112 O GLY A 12 3.925 -14.285 7.790 1.00 0.00 O ATOM 0 H GLY A 12 3.174 -16.528 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.097 -15.252 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.094 -16.693 6.362 1.00 0.00 H new ATOM 116 N LEU A 13 5.354 -14.871 6.153 1.00 0.00 N ATOM 117 CA LEU A 13 6.485 -14.157 6.736 1.00 0.00 C ATOM 118 C LEU A 13 6.572 -12.736 6.189 1.00 0.00 C ATOM 119 O LEU A 13 7.633 -12.111 6.220 1.00 0.00 O ATOM 120 CB LEU A 13 7.788 -14.906 6.450 1.00 0.00 C ATOM 121 CG LEU A 13 7.766 -16.413 6.707 1.00 0.00 C ATOM 122 CD1 LEU A 13 9.140 -17.017 6.462 1.00 0.00 C ATOM 123 CD2 LEU A 13 7.297 -16.706 8.125 1.00 0.00 C ATOM 0 H LEU A 13 5.565 -15.354 5.279 1.00 0.00 H new ATOM 0 HA LEU A 13 6.333 -14.103 7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.058 -14.739 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.578 -14.465 7.058 1.00 0.00 H new ATOM 0 HG LEU A 13 7.062 -16.870 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.105 -18.090 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.436 -16.839 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.865 -16.555 7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.288 -17.783 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.975 -16.236 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.292 -16.309 8.265 1.00 0.00 H new ATOM 135 N VAL A 14 5.448 -12.229 5.692 1.00 0.00 N ATOM 136 CA VAL A 14 5.397 -10.879 5.141 1.00 0.00 C ATOM 137 C VAL A 14 4.278 -10.067 5.783 1.00 0.00 C ATOM 138 O VAL A 14 3.125 -10.498 5.819 1.00 0.00 O ATOM 139 CB VAL A 14 5.188 -10.903 3.615 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.996 -9.492 3.080 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.360 -11.588 2.929 1.00 0.00 C ATOM 0 H VAL A 14 4.561 -12.732 5.659 1.00 0.00 H new ATOM 0 HA VAL A 14 6.356 -10.410 5.361 1.00 0.00 H new ATOM 0 HB VAL A 14 4.285 -11.473 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.850 -9.529 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.122 -9.041 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.879 -8.894 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.196 -11.596 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.279 -11.047 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.445 -12.613 3.291 1.00 0.00 H new ATOM 151 N SER A 15 4.625 -8.888 6.289 1.00 0.00 N ATOM 152 CA SER A 15 3.651 -8.015 6.933 1.00 0.00 C ATOM 153 C SER A 15 3.935 -6.551 6.609 1.00 0.00 C ATOM 154 O SER A 15 5.073 -6.175 6.331 1.00 0.00 O ATOM 155 CB SER A 15 3.668 -8.227 8.448 1.00 0.00 C ATOM 156 OG SER A 15 3.302 -9.554 8.782 1.00 0.00 O ATOM 0 H SER A 15 5.574 -8.515 6.265 1.00 0.00 H new ATOM 0 HA SER A 15 2.663 -8.268 6.549 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.663 -8.012 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.982 -7.527 8.924 1.00 0.00 H new ATOM 0 HG SER A 15 3.322 -9.664 9.756 1.00 0.00 H new ATOM 162 N ALA A 16 2.891 -5.730 6.649 1.00 0.00 N ATOM 163 CA ALA A 16 3.027 -4.307 6.362 1.00 0.00 C ATOM 164 C ALA A 16 2.496 -3.462 7.514 1.00 0.00 C ATOM 165 O ALA A 16 1.437 -3.750 8.072 1.00 0.00 O ATOM 166 CB ALA A 16 2.303 -3.958 5.070 1.00 0.00 C ATOM 0 H ALA A 16 1.942 -6.026 6.877 1.00 0.00 H new ATOM 0 HA ALA A 16 4.087 -4.085 6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.413 -2.893 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.732 -4.530 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.245 -4.202 5.169 1.00 0.00 H new ATOM 172 N TYR A 17 3.237 -2.417 7.866 1.00 0.00 N ATOM 173 CA TYR A 17 2.841 -1.531 8.954 1.00 0.00 C ATOM 174 C TYR A 17 3.028 -0.069 8.562 1.00 0.00 C ATOM 175 O TYR A 17 3.931 0.271 7.798 1.00 0.00 O ATOM 176 CB TYR A 17 3.654 -1.840 10.213 1.00 0.00 C ATOM 177 CG TYR A 17 5.149 -1.817 9.989 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.830 -0.615 9.839 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.881 -2.996 9.926 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.196 -0.588 9.634 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.247 -2.979 9.722 1.00 0.00 C ATOM 182 CZ TYR A 17 7.900 -1.773 9.577 1.00 0.00 C ATOM 183 OH TYR A 17 9.261 -1.752 9.372 1.00 0.00 O ATOM 0 H TYR A 17 4.115 -2.163 7.414 1.00 0.00 H new ATOM 0 HA TYR A 17 1.784 -1.701 9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.400 -1.115 10.986 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.366 -2.822 10.589 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.282 0.314 9.883 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.373 -3.942 10.038 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.710 0.355 9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.801 -3.905 9.676 1.00 0.00 H new ATOM 0 HH TYR A 17 9.604 -2.670 9.359 1.00 0.00 H new ATOM 193 N GLY A 18 2.166 0.794 9.091 1.00 0.00 N ATOM 194 CA GLY A 18 2.251 2.210 8.785 1.00 0.00 C ATOM 195 C GLY A 18 0.896 2.890 8.800 1.00 0.00 C ATOM 196 O GLY A 18 -0.149 2.239 8.782 1.00 0.00 O ATOM 0 H GLY A 18 1.410 0.538 9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.906 2.696 9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.708 2.340 7.804 1.00 0.00 H new ATOM 200 N PRO A 19 0.903 4.230 8.837 1.00 0.00 N ATOM 201 CA PRO A 19 -0.327 5.028 8.856 1.00 0.00 C ATOM 202 C PRO A 19 -1.077 4.970 7.530 1.00 0.00 C ATOM 203 O PRO A 19 -2.285 5.198 7.478 1.00 0.00 O ATOM 204 CB PRO A 19 0.175 6.448 9.125 1.00 0.00 C ATOM 205 CG PRO A 19 1.577 6.456 8.620 1.00 0.00 C ATOM 206 CD PRO A 19 2.111 5.071 8.861 1.00 0.00 C ATOM 0 HA PRO A 19 -1.037 4.664 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.436 7.188 8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.136 6.687 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.609 6.708 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.176 7.202 9.143 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.822 4.775 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.630 5.001 9.817 1.00 0.00 H new ATOM 214 N GLY A 20 -0.352 4.662 6.458 1.00 0.00 N ATOM 215 CA GLY A 20 -0.966 4.579 5.146 1.00 0.00 C ATOM 216 C GLY A 20 -1.952 3.433 5.039 1.00 0.00 C ATOM 217 O GLY A 20 -2.942 3.521 4.310 1.00 0.00 O ATOM 0 H GLY A 20 0.649 4.469 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.478 5.516 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.189 4.457 4.392 1.00 0.00 H new ATOM 221 N LEU A 21 -1.682 2.353 5.764 1.00 0.00 N ATOM 222 CA LEU A 21 -2.553 1.182 5.746 1.00 0.00 C ATOM 223 C LEU A 21 -3.814 1.429 6.568 1.00 0.00 C ATOM 224 O LEU A 21 -4.922 1.120 6.130 1.00 0.00 O ATOM 225 CB LEU A 21 -1.808 -0.040 6.287 1.00 0.00 C ATOM 226 CG LEU A 21 -0.481 -0.373 5.605 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.451 -1.088 6.572 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.716 -1.220 4.363 1.00 0.00 C ATOM 0 H LEU A 21 -0.867 2.263 6.371 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.846 0.993 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.619 0.116 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.464 -0.907 6.204 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.008 0.560 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.391 -1.317 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.646 -0.446 7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.015 -2.014 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.240 -1.447 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.211 -2.149 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.345 -0.671 3.662 1.00 0.00 H new ATOM 240 N GLU A 22 -3.637 1.989 7.760 1.00 0.00 N ATOM 241 CA GLU A 22 -4.761 2.278 8.642 1.00 0.00 C ATOM 242 C GLU A 22 -5.490 3.543 8.198 1.00 0.00 C ATOM 243 O GLU A 22 -6.661 3.743 8.518 1.00 0.00 O ATOM 244 CB GLU A 22 -4.279 2.434 10.086 1.00 0.00 C ATOM 245 CG GLU A 22 -4.237 1.127 10.859 1.00 0.00 C ATOM 246 CD GLU A 22 -4.442 1.322 12.348 1.00 0.00 C ATOM 247 OE1 GLU A 22 -3.522 1.845 13.011 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.524 0.952 12.851 1.00 0.00 O ATOM 0 H GLU A 22 -2.726 2.252 8.137 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.456 1.440 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.283 2.876 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.935 3.132 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.007 0.457 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.277 0.640 10.689 1.00 0.00 H new ATOM 255 N GLY A 23 -4.786 4.396 7.459 1.00 0.00 N ATOM 256 CA GLY A 23 -5.381 5.631 6.983 1.00 0.00 C ATOM 257 C GLY A 23 -4.729 6.859 7.587 1.00 0.00 C ATOM 258 O GLY A 23 -3.893 6.749 8.483 1.00 0.00 O ATOM 0 H GLY A 23 -3.815 4.253 7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.297 5.676 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.445 5.634 7.221 1.00 0.00 H new ATOM 262 N GLY A 24 -5.110 8.033 7.094 1.00 0.00 N ATOM 263 CA GLY A 24 -4.545 9.270 7.601 1.00 0.00 C ATOM 264 C GLY A 24 -5.427 10.469 7.318 1.00 0.00 C ATOM 265 O GLY A 24 -6.519 10.593 7.874 1.00 0.00 O ATOM 0 H GLY A 24 -5.800 8.150 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.391 9.182 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.565 9.429 7.151 1.00 0.00 H new ATOM 269 N THR A 25 -4.954 11.359 6.450 1.00 0.00 N ATOM 270 CA THR A 25 -5.705 12.556 6.096 1.00 0.00 C ATOM 271 C THR A 25 -5.649 12.817 4.595 1.00 0.00 C ATOM 272 O THR A 25 -4.733 12.362 3.909 1.00 0.00 O ATOM 273 CB THR A 25 -5.172 13.795 6.841 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.463 13.688 8.239 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.790 15.068 6.285 1.00 0.00 C ATOM 0 H THR A 25 -4.053 11.272 5.979 1.00 0.00 H new ATOM 0 HA THR A 25 -6.739 12.379 6.393 1.00 0.00 H new ATOM 0 HB THR A 25 -4.093 13.842 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.120 14.478 8.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.399 15.929 6.827 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.542 15.161 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.873 15.028 6.402 1.00 0.00 H new ATOM 283 N THR A 26 -6.634 13.552 4.090 1.00 0.00 N ATOM 284 CA THR A 26 -6.697 13.873 2.669 1.00 0.00 C ATOM 285 C THR A 26 -5.569 14.818 2.269 1.00 0.00 C ATOM 286 O THR A 26 -5.057 15.574 3.093 1.00 0.00 O ATOM 287 CB THR A 26 -8.046 14.517 2.298 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.287 15.662 3.123 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.184 13.520 2.461 1.00 0.00 C ATOM 0 H THR A 26 -7.400 13.937 4.644 1.00 0.00 H new ATOM 0 HA THR A 26 -6.590 12.933 2.127 1.00 0.00 H new ATOM 0 HB THR A 26 -8.000 14.826 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.874 16.288 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.127 13.997 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.013 12.663 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.228 13.185 3.497 1.00 0.00 H new ATOM 297 N GLY A 27 -5.187 14.769 0.996 1.00 0.00 N ATOM 298 CA GLY A 27 -4.122 15.625 0.508 1.00 0.00 C ATOM 299 C GLY A 27 -2.875 15.546 1.366 1.00 0.00 C ATOM 300 O GLY A 27 -2.096 16.497 1.433 1.00 0.00 O ATOM 0 H GLY A 27 -5.596 14.152 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.874 15.343 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.474 16.656 0.478 1.00 0.00 H new ATOM 304 N VAL A 28 -2.684 14.408 2.027 1.00 0.00 N ATOM 305 CA VAL A 28 -1.523 14.208 2.886 1.00 0.00 C ATOM 306 C VAL A 28 -0.767 12.941 2.502 1.00 0.00 C ATOM 307 O VAL A 28 -1.246 11.829 2.723 1.00 0.00 O ATOM 308 CB VAL A 28 -1.931 14.120 4.369 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.747 13.692 5.223 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.490 15.451 4.847 1.00 0.00 C ATOM 0 H VAL A 28 -3.319 13.611 1.984 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.873 15.072 2.746 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.712 13.367 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.053 13.635 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.396 12.714 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.058 14.420 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.773 15.371 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.732 16.226 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.366 15.712 4.254 1.00 0.00 H new ATOM 320 N SER A 29 0.418 13.117 1.926 1.00 0.00 N ATOM 321 CA SER A 29 1.240 11.988 1.508 1.00 0.00 C ATOM 322 C SER A 29 1.264 10.906 2.583 1.00 0.00 C ATOM 323 O SER A 29 1.660 11.156 3.722 1.00 0.00 O ATOM 324 CB SER A 29 2.665 12.453 1.203 1.00 0.00 C ATOM 325 OG SER A 29 2.663 13.546 0.301 1.00 0.00 O ATOM 0 H SER A 29 0.830 14.031 1.738 1.00 0.00 H new ATOM 0 HA SER A 29 0.802 11.566 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.162 12.742 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.237 11.628 0.778 1.00 0.00 H new ATOM 0 HG SER A 29 3.585 13.825 0.124 1.00 0.00 H new ATOM 331 N SER A 30 0.839 9.703 2.213 1.00 0.00 N ATOM 332 CA SER A 30 0.808 8.582 3.146 1.00 0.00 C ATOM 333 C SER A 30 1.531 7.371 2.564 1.00 0.00 C ATOM 334 O SER A 30 1.386 7.056 1.384 1.00 0.00 O ATOM 335 CB SER A 30 -0.638 8.213 3.484 1.00 0.00 C ATOM 336 OG SER A 30 -1.322 9.310 4.064 1.00 0.00 O ATOM 0 H SER A 30 0.511 9.479 1.274 1.00 0.00 H new ATOM 0 HA SER A 30 1.321 8.886 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.156 7.894 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.650 7.368 4.172 1.00 0.00 H new ATOM 0 HG SER A 30 -1.275 10.081 3.461 1.00 0.00 H new ATOM 342 N GLU A 31 2.312 6.697 3.403 1.00 0.00 N ATOM 343 CA GLU A 31 3.059 5.521 2.973 1.00 0.00 C ATOM 344 C GLU A 31 3.107 4.472 4.080 1.00 0.00 C ATOM 345 O GLU A 31 2.601 4.691 5.181 1.00 0.00 O ATOM 346 CB GLU A 31 4.480 5.914 2.565 1.00 0.00 C ATOM 347 CG GLU A 31 5.225 6.699 3.632 1.00 0.00 C ATOM 348 CD GLU A 31 4.595 8.050 3.909 1.00 0.00 C ATOM 349 OE1 GLU A 31 4.152 8.706 2.943 1.00 0.00 O ATOM 350 OE2 GLU A 31 4.545 8.451 5.090 1.00 0.00 O ATOM 0 H GLU A 31 2.444 6.945 4.384 1.00 0.00 H new ATOM 0 HA GLU A 31 2.547 5.091 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.044 5.011 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.436 6.509 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.250 6.118 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.259 6.842 3.317 1.00 0.00 H new ATOM 357 N PHE A 32 3.719 3.331 3.779 1.00 0.00 N ATOM 358 CA PHE A 32 3.832 2.247 4.747 1.00 0.00 C ATOM 359 C PHE A 32 4.989 1.318 4.390 1.00 0.00 C ATOM 360 O PHE A 32 5.388 1.224 3.229 1.00 0.00 O ATOM 361 CB PHE A 32 2.526 1.452 4.810 1.00 0.00 C ATOM 362 CG PHE A 32 2.018 1.026 3.462 1.00 0.00 C ATOM 363 CD1 PHE A 32 1.238 1.881 2.700 1.00 0.00 C ATOM 364 CD2 PHE A 32 2.322 -0.228 2.957 1.00 0.00 C ATOM 365 CE1 PHE A 32 0.769 1.491 1.460 1.00 0.00 C ATOM 366 CE2 PHE A 32 1.855 -0.623 1.717 1.00 0.00 C ATOM 367 CZ PHE A 32 1.079 0.238 0.967 1.00 0.00 C ATOM 0 H PHE A 32 4.144 3.134 2.873 1.00 0.00 H new ATOM 0 HA PHE A 32 4.029 2.686 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.678 0.567 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.765 2.058 5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.994 2.862 3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.931 -0.905 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.160 2.166 0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.097 -1.604 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.715 -0.067 -0.003 1.00 0.00 H new ATOM 377 N ILE A 33 5.524 0.635 5.397 1.00 0.00 N ATOM 378 CA ILE A 33 6.634 -0.286 5.190 1.00 0.00 C ATOM 379 C ILE A 33 6.149 -1.731 5.149 1.00 0.00 C ATOM 380 O ILE A 33 5.269 -2.124 5.914 1.00 0.00 O ATOM 381 CB ILE A 33 7.697 -0.145 6.295 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.504 1.140 6.096 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.616 -1.357 6.305 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.665 1.280 7.056 1.00 0.00 C ATOM 0 H ILE A 33 5.206 0.702 6.364 1.00 0.00 H new ATOM 0 HA ILE A 33 7.083 -0.028 4.231 1.00 0.00 H new ATOM 0 HB ILE A 33 7.191 -0.089 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.883 1.167 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.841 1.997 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.362 -1.242 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.029 -2.257 6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.116 -1.442 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.191 2.213 6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.292 1.285 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.350 0.442 6.924 1.00 0.00 H new ATOM 396 N VAL A 34 6.731 -2.520 4.250 1.00 0.00 N ATOM 397 CA VAL A 34 6.361 -3.923 4.111 1.00 0.00 C ATOM 398 C VAL A 34 7.526 -4.838 4.472 1.00 0.00 C ATOM 399 O VAL A 34 8.443 -5.036 3.676 1.00 0.00 O ATOM 400 CB VAL A 34 5.898 -4.242 2.677 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.426 -5.684 2.576 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.799 -3.282 2.247 1.00 0.00 C ATOM 0 H VAL A 34 7.460 -2.211 3.608 1.00 0.00 H new ATOM 0 HA VAL A 34 5.536 -4.102 4.800 1.00 0.00 H new ATOM 0 HB VAL A 34 6.745 -4.115 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.103 -5.890 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.244 -6.354 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.592 -5.843 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.484 -3.521 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.949 -3.376 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.176 -2.260 2.278 1.00 0.00 H new ATOM 412 N ASN A 35 7.483 -5.393 5.679 1.00 0.00 N ATOM 413 CA ASN A 35 8.536 -6.288 6.146 1.00 0.00 C ATOM 414 C ASN A 35 8.495 -7.615 5.395 1.00 0.00 C ATOM 415 O ASN A 35 7.710 -8.505 5.726 1.00 0.00 O ATOM 416 CB ASN A 35 8.394 -6.534 7.650 1.00 0.00 C ATOM 417 CG ASN A 35 9.027 -7.843 8.083 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.377 -8.889 8.085 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.301 -7.790 8.453 1.00 0.00 N ATOM 0 H ASN A 35 6.731 -5.239 6.351 1.00 0.00 H new ATOM 0 HA ASN A 35 9.497 -5.812 5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.857 -5.712 8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.337 -6.539 7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.780 -8.638 8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.801 -6.901 8.435 1.00 0.00 H new ATOM 426 N THR A 36 9.348 -7.743 4.383 1.00 0.00 N ATOM 427 CA THR A 36 9.409 -8.961 3.585 1.00 0.00 C ATOM 428 C THR A 36 10.702 -9.725 3.847 1.00 0.00 C ATOM 429 O THR A 36 10.849 -10.876 3.433 1.00 0.00 O ATOM 430 CB THR A 36 9.305 -8.652 2.079 1.00 0.00 C ATOM 431 OG1 THR A 36 10.289 -7.680 1.709 1.00 0.00 O ATOM 432 CG2 THR A 36 7.918 -8.134 1.728 1.00 0.00 C ATOM 0 H THR A 36 10.006 -7.018 4.097 1.00 0.00 H new ATOM 0 HA THR A 36 8.560 -9.576 3.882 1.00 0.00 H new ATOM 0 HB THR A 36 9.482 -9.576 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.326 -7.608 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.868 -7.923 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.173 -8.887 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.718 -7.221 2.288 1.00 0.00 H new ATOM 440 N LEU A 37 11.636 -9.079 4.535 1.00 0.00 N ATOM 441 CA LEU A 37 12.918 -9.699 4.853 1.00 0.00 C ATOM 442 C LEU A 37 12.725 -11.133 5.335 1.00 0.00 C ATOM 443 O LEU A 37 13.275 -12.071 4.760 1.00 0.00 O ATOM 444 CB LEU A 37 13.649 -8.885 5.922 1.00 0.00 C ATOM 445 CG LEU A 37 13.953 -7.429 5.565 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.120 -6.594 6.826 1.00 0.00 C ATOM 447 CD2 LEU A 37 15.200 -7.342 4.697 1.00 0.00 C ATOM 0 H LEU A 37 11.530 -8.126 4.884 1.00 0.00 H new ATOM 0 HA LEU A 37 13.519 -9.718 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.050 -8.898 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.589 -9.386 6.152 1.00 0.00 H new ATOM 0 HG LEU A 37 13.111 -7.030 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.336 -5.561 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.201 -6.630 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.943 -6.992 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.401 -6.299 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.050 -7.758 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.043 -7.906 3.778 1.00 0.00 H new ATOM 459 N ASN A 38 11.936 -11.296 6.393 1.00 0.00 N ATOM 460 CA ASN A 38 11.669 -12.616 6.951 1.00 0.00 C ATOM 461 C ASN A 38 11.380 -13.626 5.844 1.00 0.00 C ATOM 462 O ASN A 38 11.876 -14.752 5.872 1.00 0.00 O ATOM 463 CB ASN A 38 10.487 -12.553 7.920 1.00 0.00 C ATOM 464 CG ASN A 38 10.895 -12.073 9.299 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.687 -12.720 9.985 1.00 0.00 O ATOM 466 ND2 ASN A 38 10.355 -10.933 9.712 1.00 0.00 N ATOM 0 H ASN A 38 11.471 -10.530 6.880 1.00 0.00 H new ATOM 0 HA ASN A 38 12.557 -12.941 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.725 -11.886 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.034 -13.541 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.592 -10.560 10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.703 -10.430 9.110 1.00 0.00 H new ATOM 473 N ALA A 39 10.575 -13.214 4.870 1.00 0.00 N ATOM 474 CA ALA A 39 10.222 -14.081 3.753 1.00 0.00 C ATOM 475 C ALA A 39 11.455 -14.452 2.935 1.00 0.00 C ATOM 476 O ALA A 39 11.723 -15.629 2.697 1.00 0.00 O ATOM 477 CB ALA A 39 9.183 -13.407 2.869 1.00 0.00 C ATOM 0 H ALA A 39 10.155 -12.285 4.832 1.00 0.00 H new ATOM 0 HA ALA A 39 9.797 -14.999 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.929 -14.066 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.287 -13.199 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.587 -12.473 2.480 1.00 0.00 H new ATOM 483 N GLY A 40 12.201 -13.439 2.506 1.00 0.00 N ATOM 484 CA GLY A 40 13.396 -13.679 1.718 1.00 0.00 C ATOM 485 C GLY A 40 13.448 -12.825 0.467 1.00 0.00 C ATOM 486 O GLY A 40 13.925 -11.691 0.501 1.00 0.00 O ATOM 0 H GLY A 40 11.999 -12.456 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.276 -13.477 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.437 -14.731 1.437 1.00 0.00 H new ATOM 490 N SER A 41 12.957 -13.370 -0.641 1.00 0.00 N ATOM 491 CA SER A 41 12.954 -12.652 -1.910 1.00 0.00 C ATOM 492 C SER A 41 11.865 -13.188 -2.835 1.00 0.00 C ATOM 493 O SER A 41 11.739 -14.396 -3.029 1.00 0.00 O ATOM 494 CB SER A 41 14.320 -12.770 -2.590 1.00 0.00 C ATOM 495 OG SER A 41 15.359 -12.346 -1.725 1.00 0.00 O ATOM 0 H SER A 41 12.556 -14.307 -0.686 1.00 0.00 H new ATOM 0 HA SER A 41 12.748 -11.602 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.492 -13.804 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.331 -12.168 -3.499 1.00 0.00 H new ATOM 0 HG SER A 41 16.221 -12.433 -2.182 1.00 0.00 H new ATOM 501 N GLY A 42 11.080 -12.277 -3.403 1.00 0.00 N ATOM 502 CA GLY A 42 10.011 -12.676 -4.301 1.00 0.00 C ATOM 503 C GLY A 42 9.359 -11.493 -4.987 1.00 0.00 C ATOM 504 O GLY A 42 10.026 -10.512 -5.316 1.00 0.00 O ATOM 0 H GLY A 42 11.165 -11.271 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.409 -13.355 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.257 -13.228 -3.740 1.00 0.00 H new ATOM 508 N ALA A 43 8.051 -11.584 -5.205 1.00 0.00 N ATOM 509 CA ALA A 43 7.308 -10.513 -5.856 1.00 0.00 C ATOM 510 C ALA A 43 6.242 -9.941 -4.928 1.00 0.00 C ATOM 511 O ALA A 43 5.557 -10.681 -4.222 1.00 0.00 O ATOM 512 CB ALA A 43 6.674 -11.017 -7.144 1.00 0.00 C ATOM 0 H ALA A 43 7.484 -12.389 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 43 8.009 -9.714 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.122 -10.206 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.453 -11.370 -7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.992 -11.836 -6.917 1.00 0.00 H new ATOM 518 N LEU A 44 6.108 -8.619 -4.933 1.00 0.00 N ATOM 519 CA LEU A 44 5.125 -7.947 -4.090 1.00 0.00 C ATOM 520 C LEU A 44 4.123 -7.169 -4.937 1.00 0.00 C ATOM 521 O LEU A 44 4.506 -6.378 -5.799 1.00 0.00 O ATOM 522 CB LEU A 44 5.825 -7.003 -3.111 1.00 0.00 C ATOM 523 CG LEU A 44 4.913 -6.081 -2.299 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.119 -6.881 -1.278 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.728 -4.995 -1.613 1.00 0.00 C ATOM 0 H LEU A 44 6.667 -7.992 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 44 4.584 -8.708 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.413 -7.603 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.527 -6.385 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 44 4.210 -5.603 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.476 -6.209 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.506 -7.621 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.805 -7.387 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.063 -4.348 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.455 -5.454 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.251 -4.403 -2.364 1.00 0.00 H new ATOM 537 N SER A 45 2.838 -7.396 -4.682 1.00 0.00 N ATOM 538 CA SER A 45 1.781 -6.718 -5.422 1.00 0.00 C ATOM 539 C SER A 45 1.041 -5.728 -4.527 1.00 0.00 C ATOM 540 O SER A 45 0.487 -6.101 -3.494 1.00 0.00 O ATOM 541 CB SER A 45 0.796 -7.738 -5.996 1.00 0.00 C ATOM 542 OG SER A 45 0.164 -7.237 -7.162 1.00 0.00 O ATOM 0 H SER A 45 2.504 -8.044 -3.969 1.00 0.00 H new ATOM 0 HA SER A 45 2.241 -6.167 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.322 -8.663 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.043 -7.982 -5.247 1.00 0.00 H new ATOM 0 HG SER A 45 -0.459 -7.908 -7.510 1.00 0.00 H new ATOM 548 N VAL A 46 1.037 -4.462 -4.933 1.00 0.00 N ATOM 549 CA VAL A 46 0.366 -3.416 -4.170 1.00 0.00 C ATOM 550 C VAL A 46 -0.638 -2.663 -5.035 1.00 0.00 C ATOM 551 O VAL A 46 -0.355 -2.326 -6.185 1.00 0.00 O ATOM 552 CB VAL A 46 1.376 -2.413 -3.583 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.654 -1.312 -2.821 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.375 -3.126 -2.684 1.00 0.00 C ATOM 0 H VAL A 46 1.491 -4.136 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.161 -3.909 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 46 1.925 -1.954 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.384 -0.613 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.018 -0.782 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.078 -1.751 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.081 -2.401 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.845 -3.614 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.916 -3.874 -3.263 1.00 0.00 H new ATOM 564 N THR A 47 -1.815 -2.400 -4.475 1.00 0.00 N ATOM 565 CA THR A 47 -2.862 -1.687 -5.195 1.00 0.00 C ATOM 566 C THR A 47 -3.818 -0.993 -4.231 1.00 0.00 C ATOM 567 O THR A 47 -3.934 -1.384 -3.069 1.00 0.00 O ATOM 568 CB THR A 47 -3.667 -2.637 -6.102 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.207 -3.714 -5.328 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.791 -3.194 -7.214 1.00 0.00 C ATOM 0 H THR A 47 -2.067 -2.671 -3.524 1.00 0.00 H new ATOM 0 HA THR A 47 -2.366 -0.939 -5.813 1.00 0.00 H new ATOM 0 HB THR A 47 -4.482 -2.070 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.719 -4.312 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.381 -3.862 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.406 -2.373 -7.819 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.958 -3.746 -6.779 1.00 0.00 H new ATOM 578 N ILE A 48 -4.499 0.037 -4.720 1.00 0.00 N ATOM 579 CA ILE A 48 -5.446 0.784 -3.901 1.00 0.00 C ATOM 580 C ILE A 48 -6.750 1.028 -4.652 1.00 0.00 C ATOM 581 O ILE A 48 -6.748 1.254 -5.862 1.00 0.00 O ATOM 582 CB ILE A 48 -4.861 2.138 -3.457 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.602 1.923 -2.615 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.897 2.932 -2.677 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.793 3.184 -2.405 1.00 0.00 C ATOM 0 H ILE A 48 -4.413 0.374 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.646 0.177 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.588 2.708 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.889 1.519 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.974 1.175 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.469 3.886 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.768 3.111 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.198 2.369 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.915 2.957 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.476 3.578 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.404 3.927 -1.893 1.00 0.00 H new ATOM 597 N ASP A 49 -7.862 0.982 -3.927 1.00 0.00 N ATOM 598 CA ASP A 49 -9.174 1.201 -4.524 1.00 0.00 C ATOM 599 C ASP A 49 -10.049 2.058 -3.615 1.00 0.00 C ATOM 600 O ASP A 49 -10.457 1.623 -2.539 1.00 0.00 O ATOM 601 CB ASP A 49 -9.862 -0.137 -4.800 1.00 0.00 C ATOM 602 CG ASP A 49 -10.798 -0.072 -5.991 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.528 0.933 -6.117 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.800 -1.026 -6.797 1.00 0.00 O ATOM 0 H ASP A 49 -7.881 0.795 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.033 1.730 -5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.106 -0.901 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.423 -0.443 -3.917 1.00 0.00 H new ATOM 609 N GLY A 50 -10.331 3.281 -4.056 1.00 0.00 N ATOM 610 CA GLY A 50 -11.155 4.181 -3.269 1.00 0.00 C ATOM 611 C GLY A 50 -12.097 5.003 -4.126 1.00 0.00 C ATOM 612 O GLY A 50 -12.322 4.706 -5.299 1.00 0.00 O ATOM 0 H GLY A 50 -10.004 3.664 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.735 3.603 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.512 4.850 -2.696 1.00 0.00 H new ATOM 616 N PRO A 51 -12.666 6.064 -3.535 1.00 0.00 N ATOM 617 CA PRO A 51 -13.600 6.952 -4.234 1.00 0.00 C ATOM 618 C PRO A 51 -12.909 7.794 -5.301 1.00 0.00 C ATOM 619 O PRO A 51 -13.560 8.336 -6.195 1.00 0.00 O ATOM 620 CB PRO A 51 -14.143 7.846 -3.116 1.00 0.00 C ATOM 621 CG PRO A 51 -13.078 7.839 -2.075 1.00 0.00 C ATOM 622 CD PRO A 51 -12.443 6.478 -2.140 1.00 0.00 C ATOM 0 HA PRO A 51 -14.372 6.396 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.338 8.856 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.084 7.461 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.343 8.622 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.497 8.027 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.381 6.518 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.905 5.785 -1.436 1.00 0.00 H new ATOM 630 N SER A 52 -11.588 7.900 -5.202 1.00 0.00 N ATOM 631 CA SER A 52 -10.810 8.679 -6.158 1.00 0.00 C ATOM 632 C SER A 52 -9.407 8.100 -6.317 1.00 0.00 C ATOM 633 O SER A 52 -8.718 7.831 -5.333 1.00 0.00 O ATOM 634 CB SER A 52 -10.723 10.139 -5.707 1.00 0.00 C ATOM 635 OG SER A 52 -11.852 10.875 -6.143 1.00 0.00 O ATOM 0 H SER A 52 -11.034 7.456 -4.469 1.00 0.00 H new ATOM 0 HA SER A 52 -11.315 8.633 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.653 10.184 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.814 10.592 -6.104 1.00 0.00 H new ATOM 0 HG SER A 52 -12.614 10.269 -6.256 1.00 0.00 H new ATOM 641 N LYS A 53 -8.991 7.909 -7.564 1.00 0.00 N ATOM 642 CA LYS A 53 -7.671 7.363 -7.856 1.00 0.00 C ATOM 643 C LYS A 53 -6.601 8.042 -7.007 1.00 0.00 C ATOM 644 O LYS A 53 -6.677 9.241 -6.737 1.00 0.00 O ATOM 645 CB LYS A 53 -7.342 7.532 -9.341 1.00 0.00 C ATOM 646 CG LYS A 53 -8.148 6.620 -10.250 1.00 0.00 C ATOM 647 CD LYS A 53 -7.856 6.895 -11.716 1.00 0.00 C ATOM 648 CE LYS A 53 -8.861 6.202 -12.623 1.00 0.00 C ATOM 649 NZ LYS A 53 -8.463 4.799 -12.923 1.00 0.00 N ATOM 0 H LYS A 53 -9.550 8.125 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.684 6.301 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.521 8.568 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.280 7.338 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.917 5.580 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.212 6.760 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.880 7.969 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.850 6.554 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.842 6.207 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.954 6.760 -13.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.174 4.362 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.538 4.795 -13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.399 4.259 -12.036 1.00 0.00 H new ATOM 663 N VAL A 54 -5.604 7.269 -6.589 1.00 0.00 N ATOM 664 CA VAL A 54 -4.517 7.798 -5.773 1.00 0.00 C ATOM 665 C VAL A 54 -3.159 7.410 -6.349 1.00 0.00 C ATOM 666 O VAL A 54 -2.822 6.229 -6.427 1.00 0.00 O ATOM 667 CB VAL A 54 -4.610 7.294 -4.321 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.950 7.671 -3.709 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.393 5.789 -4.265 1.00 0.00 C ATOM 0 H VAL A 54 -5.526 6.274 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.614 8.884 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.824 7.774 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.997 7.306 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.060 8.755 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.755 7.222 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.462 5.450 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.155 5.289 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.406 5.549 -4.661 1.00 0.00 H new ATOM 679 N GLN A 55 -2.385 8.413 -6.750 1.00 0.00 N ATOM 680 CA GLN A 55 -1.063 8.176 -7.318 1.00 0.00 C ATOM 681 C GLN A 55 -0.133 7.544 -6.288 1.00 0.00 C ATOM 682 O GLN A 55 0.274 8.192 -5.322 1.00 0.00 O ATOM 683 CB GLN A 55 -0.462 9.487 -7.829 1.00 0.00 C ATOM 684 CG GLN A 55 0.508 9.302 -8.984 1.00 0.00 C ATOM 685 CD GLN A 55 -0.042 8.398 -10.069 1.00 0.00 C ATOM 686 OE1 GLN A 55 0.467 7.300 -10.296 1.00 0.00 O ATOM 687 NE2 GLN A 55 -1.088 8.856 -10.748 1.00 0.00 N ATOM 0 H GLN A 55 -2.650 9.396 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.173 7.485 -8.153 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.269 10.148 -8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.054 9.985 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.746 10.275 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.441 8.884 -8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.478 9.772 -10.527 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.501 8.292 -11.491 1.00 0.00 H new ATOM 696 N LEU A 56 0.201 6.276 -6.500 1.00 0.00 N ATOM 697 CA LEU A 56 1.084 5.554 -5.589 1.00 0.00 C ATOM 698 C LEU A 56 2.478 5.401 -6.190 1.00 0.00 C ATOM 699 O LEU A 56 2.643 5.409 -7.410 1.00 0.00 O ATOM 700 CB LEU A 56 0.501 4.177 -5.266 1.00 0.00 C ATOM 701 CG LEU A 56 0.425 3.191 -6.432 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.741 2.444 -6.586 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.724 2.214 -6.229 1.00 0.00 C ATOM 0 H LEU A 56 -0.126 5.726 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 56 1.167 6.131 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.100 3.727 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.504 4.314 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 56 0.241 3.753 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.668 1.747 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.544 3.156 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.956 1.893 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.764 1.519 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.570 1.658 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.663 2.764 -6.169 1.00 0.00 H new ATOM 715 N ASP A 57 3.476 5.261 -5.325 1.00 0.00 N ATOM 716 CA ASP A 57 4.856 5.103 -5.769 1.00 0.00 C ATOM 717 C ASP A 57 5.575 4.042 -4.942 1.00 0.00 C ATOM 718 O ASP A 57 5.572 4.093 -3.711 1.00 0.00 O ATOM 719 CB ASP A 57 5.602 6.435 -5.673 1.00 0.00 C ATOM 720 CG ASP A 57 6.710 6.554 -6.701 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.516 6.080 -7.839 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.771 7.121 -6.366 1.00 0.00 O ATOM 0 H ASP A 57 3.355 5.254 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 57 4.841 4.779 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.896 7.254 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.025 6.540 -4.674 1.00 0.00 H new ATOM 727 N CYS A 58 6.188 3.082 -5.625 1.00 0.00 N ATOM 728 CA CYS A 58 6.910 2.007 -4.953 1.00 0.00 C ATOM 729 C CYS A 58 8.399 2.325 -4.862 1.00 0.00 C ATOM 730 O CYS A 58 9.054 2.569 -5.875 1.00 0.00 O ATOM 731 CB CYS A 58 6.703 0.685 -5.694 1.00 0.00 C ATOM 732 SG CYS A 58 6.772 -0.776 -4.630 1.00 0.00 S ATOM 0 H CYS A 58 6.200 3.026 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 58 6.515 1.914 -3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.736 0.710 -6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.463 0.593 -6.470 1.00 0.00 H new ATOM 0 HG CYS A 58 6.584 -1.844 -5.347 1.00 0.00 H new ATOM 738 N ARG A 59 8.926 2.323 -3.642 1.00 0.00 N ATOM 739 CA ARG A 59 10.336 2.615 -3.418 1.00 0.00 C ATOM 740 C ARG A 59 11.012 1.479 -2.656 1.00 0.00 C ATOM 741 O ARG A 59 10.345 0.650 -2.039 1.00 0.00 O ATOM 742 CB ARG A 59 10.492 3.926 -2.645 1.00 0.00 C ATOM 743 CG ARG A 59 11.729 3.970 -1.763 1.00 0.00 C ATOM 744 CD ARG A 59 11.849 5.301 -1.039 1.00 0.00 C ATOM 745 NE ARG A 59 13.146 5.452 -0.383 1.00 0.00 N ATOM 746 CZ ARG A 59 13.417 4.974 0.827 1.00 0.00 C ATOM 747 NH1 ARG A 59 12.488 4.319 1.508 1.00 0.00 N ATOM 748 NH2 ARG A 59 14.621 5.152 1.357 1.00 0.00 N ATOM 0 H ARG A 59 8.397 2.122 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 59 10.819 2.716 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.532 4.753 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.609 4.080 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.687 3.161 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.618 3.804 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.705 6.115 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.055 5.383 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 59 13.883 5.951 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.562 4.180 1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.699 3.953 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.338 5.656 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.829 4.785 2.286 1.00 0.00 H new ATOM 762 N GLU A 60 12.341 1.449 -2.705 1.00 0.00 N ATOM 763 CA GLU A 60 13.106 0.414 -2.020 1.00 0.00 C ATOM 764 C GLU A 60 13.445 0.842 -0.595 1.00 0.00 C ATOM 765 O GLU A 60 13.931 1.950 -0.367 1.00 0.00 O ATOM 766 CB GLU A 60 14.391 0.104 -2.791 1.00 0.00 C ATOM 767 CG GLU A 60 14.162 -0.718 -4.048 1.00 0.00 C ATOM 768 CD GLU A 60 15.209 -0.457 -5.114 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.111 0.580 -5.802 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.128 -1.291 -5.259 1.00 0.00 O ATOM 0 H GLU A 60 12.909 2.129 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 60 12.492 -0.486 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.877 1.041 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.078 -0.432 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.167 -1.777 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.175 -0.492 -4.451 1.00 0.00 H new ATOM 777 N CYS A 61 13.187 -0.045 0.360 1.00 0.00 N ATOM 778 CA CYS A 61 13.463 0.240 1.764 1.00 0.00 C ATOM 779 C CYS A 61 14.313 -0.863 2.385 1.00 0.00 C ATOM 780 O CYS A 61 14.248 -2.027 1.991 1.00 0.00 O ATOM 781 CB CYS A 61 12.155 0.393 2.542 1.00 0.00 C ATOM 782 SG CYS A 61 11.187 -1.128 2.663 1.00 0.00 S ATOM 0 H CYS A 61 12.787 -0.967 0.188 1.00 0.00 H new ATOM 0 HA CYS A 61 14.019 1.176 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.382 0.748 3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.547 1.161 2.063 1.00 0.00 H new ATOM 0 HG CYS A 61 10.101 -0.899 3.340 1.00 0.00 H new ATOM 788 N PRO A 62 15.132 -0.490 3.380 1.00 0.00 N ATOM 789 CA PRO A 62 16.012 -1.433 4.077 1.00 0.00 C ATOM 790 C PRO A 62 15.236 -2.412 4.951 1.00 0.00 C ATOM 791 O PRO A 62 15.823 -3.275 5.603 1.00 0.00 O ATOM 792 CB PRO A 62 16.891 -0.525 4.941 1.00 0.00 C ATOM 793 CG PRO A 62 16.074 0.702 5.154 1.00 0.00 C ATOM 794 CD PRO A 62 15.261 0.881 3.902 1.00 0.00 C ATOM 0 HA PRO A 62 16.574 -2.057 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.143 -1.002 5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.831 -0.293 4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.429 0.595 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.711 1.568 5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.288 1.323 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.760 1.537 3.189 1.00 0.00 H new ATOM 802 N GLU A 63 13.914 -2.272 4.959 1.00 0.00 N ATOM 803 CA GLU A 63 13.059 -3.145 5.754 1.00 0.00 C ATOM 804 C GLU A 63 12.206 -4.037 4.856 1.00 0.00 C ATOM 805 O GLU A 63 11.447 -4.877 5.337 1.00 0.00 O ATOM 806 CB GLU A 63 12.157 -2.316 6.671 1.00 0.00 C ATOM 807 CG GLU A 63 12.895 -1.681 7.838 1.00 0.00 C ATOM 808 CD GLU A 63 12.926 -2.573 9.064 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.232 -3.612 9.058 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.642 -2.233 10.028 1.00 0.00 O ATOM 0 H GLU A 63 13.412 -1.563 4.424 1.00 0.00 H new ATOM 0 HA GLU A 63 13.701 -3.780 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.679 -1.532 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.362 -2.954 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.916 -1.451 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.417 -0.735 8.094 1.00 0.00 H new ATOM 817 N GLY A 64 12.338 -3.847 3.546 1.00 0.00 N ATOM 818 CA GLY A 64 11.574 -4.640 2.601 1.00 0.00 C ATOM 819 C GLY A 64 11.100 -3.827 1.413 1.00 0.00 C ATOM 820 O GLY A 64 11.851 -3.610 0.461 1.00 0.00 O ATOM 0 H GLY A 64 12.960 -3.158 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.187 -5.470 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.712 -5.073 3.108 1.00 0.00 H new ATOM 824 N HIS A 65 9.850 -3.378 1.465 1.00 0.00 N ATOM 825 CA HIS A 65 9.277 -2.585 0.384 1.00 0.00 C ATOM 826 C HIS A 65 8.379 -1.482 0.936 1.00 0.00 C ATOM 827 O HIS A 65 7.566 -1.718 1.830 1.00 0.00 O ATOM 828 CB HIS A 65 8.480 -3.480 -0.566 1.00 0.00 C ATOM 829 CG HIS A 65 9.334 -4.405 -1.376 1.00 0.00 C ATOM 830 ND1 HIS A 65 10.042 -3.996 -2.487 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.595 -5.725 -1.231 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.699 -5.025 -2.991 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.446 -6.086 -2.247 1.00 0.00 N ATOM 0 H HIS A 65 9.215 -3.550 2.244 1.00 0.00 H new ATOM 0 HA HIS A 65 10.095 -2.121 -0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.769 -4.069 0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.898 -2.852 -1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.206 -6.374 -0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.335 -5.002 -3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.821 -7.022 -2.402 1.00 0.00 H new ATOM 842 N VAL A 66 8.531 -0.276 0.397 1.00 0.00 N ATOM 843 CA VAL A 66 7.734 0.864 0.835 1.00 0.00 C ATOM 844 C VAL A 66 6.932 1.450 -0.321 1.00 0.00 C ATOM 845 O VAL A 66 7.351 1.386 -1.477 1.00 0.00 O ATOM 846 CB VAL A 66 8.620 1.967 1.443 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.550 2.547 0.389 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.761 3.057 2.065 1.00 0.00 C ATOM 0 H VAL A 66 9.199 -0.063 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 66 7.049 0.497 1.599 1.00 0.00 H new ATOM 0 HB VAL A 66 9.232 1.525 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.168 3.325 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.190 1.758 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.960 2.975 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.403 3.828 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.122 3.498 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.141 2.627 2.852 1.00 0.00 H new ATOM 858 N VAL A 67 5.776 2.023 -0.001 1.00 0.00 N ATOM 859 CA VAL A 67 4.915 2.624 -1.013 1.00 0.00 C ATOM 860 C VAL A 67 4.291 3.919 -0.506 1.00 0.00 C ATOM 861 O VAL A 67 3.796 3.984 0.620 1.00 0.00 O ATOM 862 CB VAL A 67 3.793 1.659 -1.439 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.869 2.326 -2.447 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.381 0.377 -2.009 1.00 0.00 C ATOM 0 H VAL A 67 5.414 2.084 0.951 1.00 0.00 H new ATOM 0 HA VAL A 67 5.545 2.842 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 67 3.205 1.402 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.083 1.629 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.421 3.213 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.441 2.615 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.574 -0.293 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.994 0.613 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.997 -0.109 -1.252 1.00 0.00 H new ATOM 874 N THR A 68 4.319 4.951 -1.344 1.00 0.00 N ATOM 875 CA THR A 68 3.757 6.246 -0.980 1.00 0.00 C ATOM 876 C THR A 68 2.636 6.645 -1.933 1.00 0.00 C ATOM 877 O THR A 68 2.755 6.487 -3.148 1.00 0.00 O ATOM 878 CB THR A 68 4.834 7.346 -0.983 1.00 0.00 C ATOM 879 OG1 THR A 68 6.017 6.875 -0.328 1.00 0.00 O ATOM 880 CG2 THR A 68 4.328 8.601 -0.287 1.00 0.00 C ATOM 0 H THR A 68 4.725 4.915 -2.279 1.00 0.00 H new ATOM 0 HA THR A 68 3.355 6.145 0.028 1.00 0.00 H new ATOM 0 HB THR A 68 5.067 7.593 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.698 7.580 -0.336 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.106 9.364 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.445 8.974 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.070 8.366 0.746 1.00 0.00 H new ATOM 888 N TYR A 69 1.548 7.164 -1.374 1.00 0.00 N ATOM 889 CA TYR A 69 0.405 7.585 -2.175 1.00 0.00 C ATOM 890 C TYR A 69 -0.239 8.839 -1.589 1.00 0.00 C ATOM 891 O TYR A 69 -0.026 9.174 -0.423 1.00 0.00 O ATOM 892 CB TYR A 69 -0.628 6.460 -2.258 1.00 0.00 C ATOM 893 CG TYR A 69 -1.394 6.244 -0.972 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.465 7.061 -0.633 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.045 5.224 -0.096 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.167 6.868 0.541 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.742 5.023 1.080 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.802 5.848 1.394 1.00 0.00 C ATOM 899 OH TYR A 69 -3.498 5.651 2.565 1.00 0.00 O ATOM 0 H TYR A 69 1.434 7.303 -0.370 1.00 0.00 H new ATOM 0 HA TYR A 69 0.762 7.817 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.334 6.685 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.122 5.533 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.754 7.861 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.215 4.577 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.997 7.513 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.458 4.224 1.750 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.144 4.862 3.027 1.00 0.00 H new ATOM 909 N THR A 70 -1.027 9.529 -2.407 1.00 0.00 N ATOM 910 CA THR A 70 -1.702 10.745 -1.972 1.00 0.00 C ATOM 911 C THR A 70 -3.202 10.665 -2.231 1.00 0.00 C ATOM 912 O THR A 70 -3.653 10.493 -3.364 1.00 0.00 O ATOM 913 CB THR A 70 -1.136 11.987 -2.686 1.00 0.00 C ATOM 914 OG1 THR A 70 0.268 12.105 -2.425 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.850 13.249 -2.225 1.00 0.00 C ATOM 0 H THR A 70 -1.213 9.266 -3.375 1.00 0.00 H new ATOM 0 HA THR A 70 -1.526 10.838 -0.900 1.00 0.00 H new ATOM 0 HB THR A 70 -1.298 11.868 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.621 12.896 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.433 14.113 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.913 13.169 -2.451 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.716 13.371 -1.150 1.00 0.00 H new ATOM 923 N PRO A 71 -3.996 10.791 -1.158 1.00 0.00 N ATOM 924 CA PRO A 71 -5.459 10.737 -1.244 1.00 0.00 C ATOM 925 C PRO A 71 -6.044 11.959 -1.943 1.00 0.00 C ATOM 926 O PRO A 71 -5.532 13.070 -1.804 1.00 0.00 O ATOM 927 CB PRO A 71 -5.899 10.697 0.221 1.00 0.00 C ATOM 928 CG PRO A 71 -4.786 11.345 0.969 1.00 0.00 C ATOM 929 CD PRO A 71 -3.528 10.997 0.223 1.00 0.00 C ATOM 0 HA PRO A 71 -5.802 9.884 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.838 11.231 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.059 9.673 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.925 12.425 1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.743 10.983 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.791 11.798 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.057 10.100 0.626 1.00 0.00 H new ATOM 937 N MET A 72 -7.119 11.747 -2.695 1.00 0.00 N ATOM 938 CA MET A 72 -7.774 12.834 -3.414 1.00 0.00 C ATOM 939 C MET A 72 -9.098 13.203 -2.753 1.00 0.00 C ATOM 940 O MET A 72 -9.570 14.333 -2.875 1.00 0.00 O ATOM 941 CB MET A 72 -8.012 12.437 -4.873 1.00 0.00 C ATOM 942 CG MET A 72 -6.734 12.317 -5.686 1.00 0.00 C ATOM 943 SD MET A 72 -6.312 13.844 -6.548 1.00 0.00 S ATOM 944 CE MET A 72 -6.249 14.998 -5.179 1.00 0.00 C ATOM 0 H MET A 72 -7.555 10.834 -2.822 1.00 0.00 H new ATOM 0 HA MET A 72 -7.118 13.704 -3.383 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.541 11.484 -4.900 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.662 13.176 -5.341 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.913 12.039 -5.026 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.845 11.513 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.845 15.950 -5.524 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.254 15.151 -4.786 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.610 14.596 -4.393 1.00 0.00 H new ATOM 954 N ALA A 73 -9.693 12.242 -2.053 1.00 0.00 N ATOM 955 CA ALA A 73 -10.962 12.467 -1.371 1.00 0.00 C ATOM 956 C ALA A 73 -11.085 11.583 -0.135 1.00 0.00 C ATOM 957 O ALA A 73 -10.526 10.488 -0.068 1.00 0.00 O ATOM 958 CB ALA A 73 -12.123 12.216 -2.321 1.00 0.00 C ATOM 0 H ALA A 73 -9.316 11.300 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.992 13.507 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.064 12.388 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.051 12.894 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.087 11.186 -2.675 1.00 0.00 H new ATOM 964 N PRO A 74 -11.834 12.066 0.867 1.00 0.00 N ATOM 965 CA PRO A 74 -12.049 11.334 2.119 1.00 0.00 C ATOM 966 C PRO A 74 -12.926 10.102 1.927 1.00 0.00 C ATOM 967 O PRO A 74 -14.074 10.206 1.498 1.00 0.00 O ATOM 968 CB PRO A 74 -12.753 12.359 3.012 1.00 0.00 C ATOM 969 CG PRO A 74 -13.422 13.292 2.063 1.00 0.00 C ATOM 970 CD PRO A 74 -12.530 13.364 0.855 1.00 0.00 C ATOM 0 HA PRO A 74 -11.116 10.955 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.476 11.879 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.041 12.885 3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.414 12.930 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.553 14.277 2.511 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.104 13.504 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.829 14.196 0.922 1.00 0.00 H new ATOM 978 N GLY A 75 -12.376 8.934 2.249 1.00 0.00 N ATOM 979 CA GLY A 75 -13.124 7.698 2.105 1.00 0.00 C ATOM 980 C GLY A 75 -12.326 6.485 2.540 1.00 0.00 C ATOM 981 O GLY A 75 -11.313 6.613 3.225 1.00 0.00 O ATOM 0 H GLY A 75 -11.427 8.822 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.038 7.759 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.424 7.578 1.064 1.00 0.00 H new ATOM 985 N ASN A 76 -12.785 5.303 2.141 1.00 0.00 N ATOM 986 CA ASN A 76 -12.108 4.061 2.495 1.00 0.00 C ATOM 987 C ASN A 76 -11.403 3.461 1.283 1.00 0.00 C ATOM 988 O ASN A 76 -12.043 3.101 0.294 1.00 0.00 O ATOM 989 CB ASN A 76 -13.110 3.055 3.066 1.00 0.00 C ATOM 990 CG ASN A 76 -13.785 3.563 4.326 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.143 3.734 5.362 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.088 3.807 4.241 1.00 0.00 N ATOM 0 H ASN A 76 -13.623 5.179 1.572 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.359 4.288 3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.868 2.835 2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.596 2.119 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.597 4.151 5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.580 3.651 3.361 1.00 0.00 H new ATOM 999 N TYR A 77 -10.081 3.355 1.366 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.289 2.800 0.276 1.00 0.00 C ATOM 1001 C TYR A 77 -8.766 1.412 0.634 1.00 0.00 C ATOM 1002 O TYR A 77 -8.086 1.233 1.645 1.00 0.00 O ATOM 1003 CB TYR A 77 -8.118 3.728 -0.055 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.547 5.106 -0.507 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -9.120 6.004 0.385 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.381 5.509 -1.826 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -9.514 7.264 -0.024 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.770 6.767 -2.244 1.00 0.00 C ATOM 1009 CZ TYR A 77 -9.336 7.641 -1.339 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.727 8.894 -1.750 1.00 0.00 O ATOM 0 H TYR A 77 -9.536 3.646 2.177 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.933 2.711 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.482 3.825 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.512 3.270 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.260 5.712 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.940 4.827 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.959 7.950 0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.632 7.064 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.402 9.245 -1.132 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.088 0.432 -0.204 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.651 -0.941 0.022 1.00 0.00 C ATOM 1022 C LEU A 78 -7.226 -1.149 -0.480 1.00 0.00 C ATOM 1023 O LEU A 78 -6.962 -1.070 -1.680 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.597 -1.919 -0.677 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.672 -3.324 -0.078 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.311 -4.000 -0.130 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.188 -3.267 1.353 1.00 0.00 C ATOM 0 H LEU A 78 -9.650 0.563 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.670 -1.130 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.599 -1.490 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.292 -2.006 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.370 -3.914 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.384 -4.999 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.981 -4.075 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.591 -3.412 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.235 -4.276 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.515 -2.660 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.184 -2.825 1.363 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.311 -1.416 0.447 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.914 -1.638 0.098 1.00 0.00 C ATOM 1041 C ILE A 79 -4.602 -3.127 -0.002 1.00 0.00 C ATOM 1042 O ILE A 79 -4.480 -3.815 1.012 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.967 -0.994 1.128 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.207 0.515 1.201 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.517 -1.289 0.772 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.768 1.134 2.509 1.00 0.00 C ATOM 0 H ILE A 79 -6.513 -1.484 1.445 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.753 -1.170 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.175 -1.423 2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.675 0.999 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.268 0.713 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.860 -0.827 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.356 -2.367 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.295 -0.884 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.968 2.205 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.319 0.677 3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.700 0.967 2.650 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.473 -3.619 -1.230 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.171 -5.026 -1.462 1.00 0.00 C ATOM 1060 C ALA A 80 -2.668 -5.280 -1.418 1.00 0.00 C ATOM 1061 O ALA A 80 -1.888 -4.550 -2.030 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.745 -5.475 -2.797 1.00 0.00 C ATOM 0 H ALA A 80 -4.573 -3.064 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.634 -5.608 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.512 -6.528 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.826 -5.339 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.308 -4.880 -3.599 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.269 -6.317 -0.689 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.859 -6.666 -0.566 1.00 0.00 C ATOM 1070 C ILE A 81 -0.655 -8.173 -0.672 1.00 0.00 C ATOM 1071 O ILE A 81 -1.048 -8.929 0.217 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.271 -6.172 0.769 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.525 -4.673 0.940 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.218 -6.474 0.836 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.197 -4.158 2.324 1.00 0.00 C ATOM 0 H ILE A 81 -2.902 -6.930 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.339 -6.173 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.766 -6.700 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.069 -4.126 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.572 -4.463 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.619 -6.119 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.375 -7.550 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.729 -5.970 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.401 -3.088 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.810 -4.678 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.857 -4.336 2.538 1.00 0.00 H new ATOM 1087 N LYS A 82 -0.036 -8.605 -1.765 1.00 0.00 N ATOM 1088 CA LYS A 82 0.225 -10.023 -1.988 1.00 0.00 C ATOM 1089 C LYS A 82 1.724 -10.296 -2.060 1.00 0.00 C ATOM 1090 O LYS A 82 2.525 -9.375 -2.227 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.452 -10.490 -3.278 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.965 -10.361 -3.252 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.625 -11.345 -4.203 1.00 0.00 C ATOM 1094 CE LYS A 82 -4.071 -10.966 -4.483 1.00 0.00 C ATOM 1095 NZ LYS A 82 -5.000 -11.529 -3.463 1.00 0.00 N ATOM 0 H LYS A 82 0.295 -7.993 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.187 -10.580 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.061 -9.910 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.188 -11.532 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.328 -10.533 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.249 -9.344 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.068 -11.376 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.587 -12.347 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.165 -9.880 -4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.356 -11.326 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.917 -11.041 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.136 -12.545 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.596 -11.395 -2.514 1.00 0.00 H new ATOM 1109 N TYR A 83 2.096 -11.564 -1.934 1.00 0.00 N ATOM 1110 CA TYR A 83 3.499 -11.958 -1.984 1.00 0.00 C ATOM 1111 C TYR A 83 3.638 -13.438 -2.324 1.00 0.00 C ATOM 1112 O TYR A 83 2.945 -14.284 -1.760 1.00 0.00 O ATOM 1113 CB TYR A 83 4.181 -11.664 -0.647 1.00 0.00 C ATOM 1114 CG TYR A 83 5.687 -11.569 -0.743 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.302 -10.414 -1.211 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.495 -12.634 -0.365 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.677 -10.323 -1.301 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.872 -12.552 -0.451 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.458 -11.395 -0.919 1.00 0.00 C ATOM 1120 OH TYR A 83 9.828 -11.308 -1.006 1.00 0.00 O ATOM 0 H TYR A 83 1.446 -12.338 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 83 3.985 -11.377 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.791 -10.728 -0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.919 -12.447 0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.694 -9.573 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.039 -13.542 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.139 -9.418 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.486 -13.389 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 83 10.229 -12.147 -0.698 1.00 0.00 H new ATOM 1130 N GLY A 84 4.541 -13.744 -3.252 1.00 0.00 N ATOM 1131 CA GLY A 84 4.756 -15.122 -3.652 1.00 0.00 C ATOM 1132 C GLY A 84 3.472 -15.928 -3.669 1.00 0.00 C ATOM 1133 O GLY A 84 3.436 -17.062 -3.194 1.00 0.00 O ATOM 0 H GLY A 84 5.127 -13.062 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.208 -15.143 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.465 -15.589 -2.969 1.00 0.00 H new ATOM 1137 N GLY A 85 2.413 -15.340 -4.219 1.00 0.00 N ATOM 1138 CA GLY A 85 1.135 -16.024 -4.284 1.00 0.00 C ATOM 1139 C GLY A 85 -0.019 -15.075 -4.538 1.00 0.00 C ATOM 1140 O GLY A 85 -0.040 -13.945 -4.049 1.00 0.00 O ATOM 0 H GLY A 85 2.418 -14.402 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.167 -16.772 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.964 -16.557 -3.349 1.00 0.00 H new ATOM 1144 N PRO A 86 -1.006 -15.533 -5.321 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.187 -14.732 -5.657 1.00 0.00 C ATOM 1146 C PRO A 86 -3.104 -14.519 -4.458 1.00 0.00 C ATOM 1147 O PRO A 86 -4.132 -13.850 -4.563 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.891 -15.570 -6.727 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.453 -16.969 -6.462 1.00 0.00 C ATOM 1150 CD PRO A 86 -1.047 -16.870 -5.938 1.00 0.00 C ATOM 0 HA PRO A 86 -1.918 -13.729 -5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.974 -15.474 -6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.608 -15.250 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.107 -17.452 -5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.489 -17.568 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.833 -17.654 -5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.312 -16.966 -6.738 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.725 -15.092 -3.320 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.515 -14.964 -2.101 1.00 0.00 C ATOM 1160 C GLN A 87 -3.020 -13.798 -1.251 1.00 0.00 C ATOM 1161 O GLN A 87 -1.874 -13.366 -1.379 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.456 -16.261 -1.292 1.00 0.00 C ATOM 1163 CG GLN A 87 -2.092 -16.535 -0.680 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.006 -17.905 -0.037 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -2.026 -18.928 -0.722 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -1.908 -17.933 1.287 1.00 0.00 N ATOM 0 H GLN A 87 -1.877 -15.649 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.549 -14.768 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.200 -16.217 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.729 -17.095 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.328 -16.452 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.874 -15.772 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.895 -17.061 1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.846 -18.827 1.775 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.891 -13.293 -0.383 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.542 -12.176 0.488 1.00 0.00 C ATOM 1177 C HIS A 88 -2.579 -12.623 1.584 1.00 0.00 C ATOM 1178 O HIS A 88 -2.692 -13.732 2.109 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.802 -11.577 1.113 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.691 -10.887 0.124 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.730 -9.517 -0.025 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.575 -11.387 -0.770 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.602 -9.203 -0.966 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -7.129 -10.320 -1.435 1.00 0.00 N ATOM 0 H HIS A 88 -4.843 -13.639 -0.264 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.049 -11.415 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.366 -12.370 1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.511 -10.866 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.803 -12.430 -0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.843 -8.203 -1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.833 -10.380 -2.171 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.634 -11.754 1.924 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.652 -12.060 2.958 1.00 0.00 C ATOM 1195 C ILE A 89 -1.288 -12.033 4.344 1.00 0.00 C ATOM 1196 O ILE A 89 -2.343 -11.433 4.544 1.00 0.00 O ATOM 1197 CB ILE A 89 0.526 -11.069 2.927 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.052 -9.667 3.317 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.167 -11.051 1.547 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.180 -8.729 3.685 1.00 0.00 C ATOM 0 H ILE A 89 -1.527 -10.833 1.499 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.278 -13.063 2.751 1.00 0.00 H new ATOM 0 HB ILE A 89 1.274 -11.394 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.510 -9.238 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.634 -9.746 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.998 -10.346 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.535 -12.048 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.428 -10.747 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.771 -7.754 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.729 -9.136 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.855 -8.620 2.836 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.636 -12.687 5.301 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.135 -12.737 6.670 1.00 0.00 C ATOM 1214 C VAL A 90 -1.503 -11.345 7.171 1.00 0.00 C ATOM 1215 O VAL A 90 -0.637 -10.568 7.571 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.096 -13.355 7.624 1.00 0.00 C ATOM 1217 CG1 VAL A 90 1.261 -12.694 7.437 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.562 -13.237 9.067 1.00 0.00 C ATOM 0 H VAL A 90 0.239 -13.190 5.153 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.026 -13.365 6.659 1.00 0.00 H new ATOM 0 HB VAL A 90 0.007 -14.413 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.982 -13.144 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.596 -12.836 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.178 -11.628 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.184 -13.679 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.695 -12.186 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.510 -13.762 9.187 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.796 -11.035 7.145 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.257 -9.737 7.600 1.00 0.00 C ATOM 1230 C GLY A 91 -4.037 -8.992 6.534 1.00 0.00 C ATOM 1231 O GLY A 91 -5.039 -8.342 6.829 1.00 0.00 O ATOM 0 H GLY A 91 -3.532 -11.660 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.885 -9.866 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.400 -9.137 7.905 1.00 0.00 H new ATOM 1235 N SER A 92 -3.575 -9.086 5.291 1.00 0.00 N ATOM 1236 CA SER A 92 -4.233 -8.412 4.178 1.00 0.00 C ATOM 1237 C SER A 92 -5.577 -9.062 3.867 1.00 0.00 C ATOM 1238 O SER A 92 -5.839 -10.210 4.228 1.00 0.00 O ATOM 1239 CB SER A 92 -3.339 -8.441 2.937 1.00 0.00 C ATOM 1240 OG SER A 92 -2.489 -7.308 2.893 1.00 0.00 O ATOM 0 H SER A 92 -2.748 -9.622 5.030 1.00 0.00 H new ATOM 0 HA SER A 92 -4.409 -7.376 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.738 -9.350 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.958 -8.470 2.040 1.00 0.00 H new ATOM 0 HG SER A 92 -2.570 -6.806 3.731 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.451 -8.312 3.180 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.151 -6.945 2.746 1.00 0.00 C ATOM 1248 C PRO A 93 -6.081 -5.967 3.914 1.00 0.00 C ATOM 1249 O PRO A 93 -6.336 -6.336 5.061 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.327 -6.598 1.829 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.442 -7.468 2.296 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.801 -8.741 2.775 1.00 0.00 C ATOM 0 HA PRO A 93 -5.178 -6.877 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.590 -5.543 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.085 -6.792 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.002 -6.987 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.147 -7.666 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.350 -9.179 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.764 -9.493 1.987 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.734 -4.720 3.616 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.630 -3.689 4.643 1.00 0.00 C ATOM 1262 C PHE A 94 -6.550 -2.513 4.328 1.00 0.00 C ATOM 1263 O PHE A 94 -6.437 -1.886 3.274 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.184 -3.203 4.763 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.266 -4.206 5.399 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.140 -4.273 6.778 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.528 -5.083 4.620 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.294 -5.195 7.366 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.681 -6.007 5.202 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.565 -6.064 6.577 1.00 0.00 C ATOM 0 H PHE A 94 -5.520 -4.398 2.672 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.939 -4.125 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.808 -2.957 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.165 -2.283 5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.709 -3.598 7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.616 -5.044 3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.203 -5.236 8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.111 -6.683 4.583 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.906 -6.787 7.035 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.461 -2.219 5.249 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.401 -1.118 5.072 1.00 0.00 C ATOM 1282 C LYS A 95 -7.779 0.204 5.512 1.00 0.00 C ATOM 1283 O LYS A 95 -7.225 0.306 6.606 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.682 -1.381 5.868 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.766 -0.344 5.634 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.399 -0.499 4.262 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.305 -1.720 4.200 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.498 -1.571 5.078 1.00 0.00 N ATOM 0 H LYS A 95 -7.569 -2.728 6.126 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.647 -1.049 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.069 -2.365 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.440 -1.409 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.533 -0.439 6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.341 0.655 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.975 0.395 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.617 -0.586 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.629 -1.880 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.743 -2.605 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.214 -2.277 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.219 -1.715 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.895 -0.616 4.965 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.877 1.213 4.653 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.328 2.529 4.955 1.00 0.00 C ATOM 1304 C ALA A 96 -8.408 3.603 4.888 1.00 0.00 C ATOM 1305 O ALA A 96 -8.921 3.917 3.814 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.192 2.859 3.997 1.00 0.00 C ATOM 0 H ALA A 96 -8.331 1.144 3.742 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.937 2.508 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.791 3.845 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.404 2.113 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.567 2.856 2.973 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.750 4.164 6.043 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.769 5.204 6.117 1.00 0.00 C ATOM 1314 C LYS A 97 -9.131 6.584 6.233 1.00 0.00 C ATOM 1315 O LYS A 97 -8.517 6.912 7.249 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.694 4.956 7.311 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.738 6.042 7.507 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.766 5.645 8.554 1.00 0.00 C ATOM 1319 CE LYS A 97 -12.256 5.907 9.963 1.00 0.00 C ATOM 1320 NZ LYS A 97 -11.332 4.835 10.427 1.00 0.00 N ATOM 0 H LYS A 97 -8.336 3.915 6.941 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.354 5.170 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.198 3.999 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.092 4.875 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.249 6.968 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.240 6.241 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.688 6.203 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.009 4.588 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.741 6.867 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.101 5.979 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.533 4.610 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.468 3.984 9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.349 5.162 10.338 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.281 7.390 5.187 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.721 8.736 5.173 1.00 0.00 C ATOM 1336 C VAL A 98 -9.788 9.779 5.488 1.00 0.00 C ATOM 1337 O VAL A 98 -10.930 9.670 5.040 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.084 9.065 3.809 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.692 10.533 3.743 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.880 8.171 3.555 1.00 0.00 C ATOM 0 H VAL A 98 -9.786 7.134 4.338 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.950 8.766 5.943 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.820 8.875 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.244 10.747 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.579 11.153 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.972 10.753 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.442 8.417 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.139 8.327 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.195 7.127 3.556 1.00 0.00 H new ATOM 1350 N THR A 99 -9.408 10.791 6.261 1.00 0.00 N ATOM 1351 CA THR A 99 -10.332 11.854 6.637 1.00 0.00 C ATOM 1352 C THR A 99 -9.856 13.206 6.119 1.00 0.00 C ATOM 1353 O THR A 99 -8.693 13.366 5.751 1.00 0.00 O ATOM 1354 CB THR A 99 -10.504 11.935 8.166 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.424 12.979 8.501 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.168 12.190 8.847 1.00 0.00 C ATOM 0 H THR A 99 -8.467 10.897 6.639 1.00 0.00 H new ATOM 0 HA THR A 99 -11.293 11.612 6.183 1.00 0.00 H new ATOM 0 HB THR A 99 -10.896 10.981 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.529 13.023 9.474 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.314 12.243 9.926 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.480 11.378 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.752 13.132 8.490 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.763 14.178 6.093 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.415 15.504 5.618 1.00 0.00 C ATOM 1366 C GLY A 100 -11.213 15.910 4.395 1.00 0.00 C ATOM 1367 O GLY A 100 -11.741 15.070 3.665 1.00 0.00 O ATOM 0 H GLY A 100 -11.732 14.071 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.584 16.228 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.352 15.534 5.380 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.311 17.226 4.157 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.050 17.772 3.015 1.00 0.00 C ATOM 1373 C PRO A 101 -11.359 17.484 1.686 1.00 0.00 C ATOM 1374 O PRO A 101 -10.154 17.691 1.546 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.071 19.277 3.292 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.877 19.521 4.148 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.708 18.284 4.985 1.00 0.00 C ATOM 0 HA PRO A 101 -13.041 17.329 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.019 19.851 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.989 19.573 3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.991 19.704 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.020 20.400 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.658 18.081 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.212 18.378 5.947 1.00 0.00 H new