USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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 73 SER OG : rot 180:sc= -0.0348 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -171:sc= 1.01 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -130:sc= 1.11 (180deg=-1.31) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -149:sc= -0.0133 (180deg=-1.26) USER MOD Single : A 10 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.82) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -40:sc= -1.68 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.03 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= -0.728 (180deg=-0.765) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0041 F(o=-0.58,f=-0.0041) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.36! F(o=-3.2,f=-2.4!) USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= -0.22 (180deg=-1.15) USER MOD Single : A 57 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.95) USER MOD Single : A 63 THR OG1 : rot 131:sc= 0.58 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.95) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= -0.995 (180deg=-1.1) USER MOD Single : A 76 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.113 17.408 -7.860 1.00 52.21 N ATOM 92 CA SER A 8 1.143 17.155 -8.860 1.00 62.12 C ATOM 93 C SER A 8 1.049 15.727 -9.387 1.00 0.44 C ATOM 94 O SER A 8 1.172 15.488 -10.589 1.00 62.42 O ATOM 95 CB SER A 8 2.531 17.399 -8.265 1.00 64.21 C ATOM 96 OG SER A 8 2.763 18.783 -8.063 1.00 61.10 O ATOM 0 HA SER A 8 0.985 17.842 -9.691 1.00 62.12 H new ATOM 0 HB2 SER A 8 2.622 16.870 -7.317 1.00 64.21 H new ATOM 0 HB3 SER A 8 3.292 16.993 -8.931 1.00 64.21 H new ATOM 0 HG SER A 8 3.656 18.913 -7.680 1.00 61.10 H new ATOM 101 N MET A 9 0.829 14.781 -8.481 1.00 40.43 N ATOM 102 CA MET A 9 0.717 13.375 -8.855 1.00 32.04 C ATOM 103 C MET A 9 -0.736 12.914 -8.806 1.00 43.44 C ATOM 104 O MET A 9 -1.442 13.162 -7.828 1.00 24.05 O ATOM 105 CB MET A 9 1.572 12.509 -7.928 1.00 12.24 C ATOM 106 CG MET A 9 2.813 13.215 -7.409 1.00 43.24 C ATOM 107 SD MET A 9 3.895 13.782 -8.736 1.00 11.31 S ATOM 108 CE MET A 9 4.938 14.940 -7.852 1.00 35.01 C ATOM 0 H MET A 9 0.725 14.961 -7.483 1.00 40.43 H new ATOM 0 HA MET A 9 1.079 13.266 -9.877 1.00 32.04 H new ATOM 0 HB2 MET A 9 0.965 12.189 -7.081 1.00 12.24 H new ATOM 0 HB3 MET A 9 1.873 11.608 -8.462 1.00 12.24 H new ATOM 0 HG2 MET A 9 2.513 14.068 -6.800 1.00 43.24 H new ATOM 0 HG3 MET A 9 3.366 12.538 -6.758 1.00 43.24 H new ATOM 0 HE1 MET A 9 5.249 15.738 -8.527 1.00 35.01 H new ATOM 0 HE2 MET A 9 4.382 15.367 -7.017 1.00 35.01 H new ATOM 0 HE3 MET A 9 5.819 14.421 -7.474 1.00 35.01 H new ATOM 116 N GLN A 10 -1.175 12.242 -9.865 1.00 75.10 N ATOM 117 CA GLN A 10 -2.545 11.748 -9.941 1.00 14.33 C ATOM 118 C GLN A 10 -2.571 10.277 -10.345 1.00 32.13 C ATOM 119 O GLN A 10 -1.802 9.846 -11.205 1.00 74.43 O ATOM 120 CB GLN A 10 -3.354 12.577 -10.940 1.00 34.13 C ATOM 121 CG GLN A 10 -3.336 14.069 -10.647 1.00 34.42 C ATOM 122 CD GLN A 10 -3.295 14.911 -11.906 1.00 13.12 C ATOM 123 OE1 GLN A 10 -2.586 14.588 -12.859 1.00 11.44 O ATOM 124 NE2 GLN A 10 -4.058 15.997 -11.918 1.00 31.45 N ATOM 0 H GLN A 10 -0.603 12.027 -10.682 1.00 75.10 H new ATOM 0 HA GLN A 10 -2.994 11.843 -8.952 1.00 14.33 H new ATOM 0 HB2 GLN A 10 -2.962 12.407 -11.943 1.00 34.13 H new ATOM 0 HB3 GLN A 10 -4.386 12.227 -10.938 1.00 34.13 H new ATOM 0 HG2 GLN A 10 -4.221 14.332 -10.067 1.00 34.42 H new ATOM 0 HG3 GLN A 10 -2.469 14.304 -10.029 1.00 34.42 H new ATOM 0 HE21 GLN A 10 -4.630 16.227 -11.106 1.00 31.45 H new ATOM 0 HE22 GLN A 10 -4.072 16.601 -12.740 1.00 31.45 H new ATOM 131 N ILE A 11 -3.460 9.513 -9.720 1.00 75.21 N ATOM 132 CA ILE A 11 -3.586 8.091 -10.014 1.00 61.40 C ATOM 133 C ILE A 11 -5.024 7.618 -9.832 1.00 42.12 C ATOM 134 O ILE A 11 -5.881 8.365 -9.360 1.00 64.43 O ATOM 135 CB ILE A 11 -2.661 7.246 -9.118 1.00 55.21 C ATOM 136 CG1 ILE A 11 -2.002 6.133 -9.934 1.00 74.01 C ATOM 137 CG2 ILE A 11 -3.445 6.663 -7.951 1.00 42.14 C ATOM 138 CD1 ILE A 11 -1.369 5.054 -9.084 1.00 30.30 C ATOM 0 H ILE A 11 -4.104 9.855 -9.007 1.00 75.21 H new ATOM 0 HA ILE A 11 -3.291 7.956 -11.055 1.00 61.40 H new ATOM 0 HB ILE A 11 -1.877 7.890 -8.719 1.00 55.21 H new ATOM 0 HG12 ILE A 11 -2.750 5.680 -10.585 1.00 74.01 H new ATOM 0 HG13 ILE A 11 -1.240 6.569 -10.580 1.00 74.01 H new ATOM 0 HG21 ILE A 11 -2.779 6.068 -7.326 1.00 42.14 H new ATOM 0 HG22 ILE A 11 -3.872 7.472 -7.359 1.00 42.14 H new ATOM 0 HG23 ILE A 11 -4.247 6.030 -8.331 1.00 42.14 H new ATOM 0 HD11 ILE A 11 -0.921 4.298 -9.729 1.00 30.30 H new ATOM 0 HD12 ILE A 11 -0.598 5.494 -8.452 1.00 30.30 H new ATOM 0 HD13 ILE A 11 -2.131 4.591 -8.457 1.00 30.30 H new ATOM 149 N PHE A 12 -5.282 6.369 -10.208 1.00 24.54 N ATOM 150 CA PHE A 12 -6.616 5.794 -10.086 1.00 34.31 C ATOM 151 C PHE A 12 -6.688 4.830 -8.905 1.00 62.31 C ATOM 152 O PHE A 12 -5.913 3.877 -8.819 1.00 3.33 O ATOM 153 CB PHE A 12 -7.002 5.068 -11.375 1.00 10.24 C ATOM 154 CG PHE A 12 -8.240 5.617 -12.026 1.00 53.40 C ATOM 155 CD1 PHE A 12 -8.261 6.910 -12.525 1.00 53.23 C ATOM 156 CD2 PHE A 12 -9.382 4.840 -12.140 1.00 62.43 C ATOM 157 CE1 PHE A 12 -9.399 7.418 -13.123 1.00 43.33 C ATOM 158 CE2 PHE A 12 -10.523 5.342 -12.738 1.00 63.43 C ATOM 159 CZ PHE A 12 -10.531 6.633 -13.231 1.00 64.13 C ATOM 0 H PHE A 12 -4.584 5.736 -10.600 1.00 24.54 H new ATOM 0 HA PHE A 12 -7.320 6.608 -9.911 1.00 34.31 H new ATOM 0 HB2 PHE A 12 -6.173 5.130 -12.080 1.00 10.24 H new ATOM 0 HB3 PHE A 12 -7.155 4.011 -11.155 1.00 10.24 H new ATOM 0 HD1 PHE A 12 -7.378 7.527 -12.446 1.00 53.23 H new ATOM 0 HD2 PHE A 12 -9.381 3.830 -11.757 1.00 62.43 H new ATOM 0 HE1 PHE A 12 -9.403 8.428 -13.506 1.00 43.33 H new ATOM 0 HE2 PHE A 12 -11.407 4.726 -12.820 1.00 63.43 H new ATOM 0 HZ PHE A 12 -11.420 7.028 -13.700 1.00 64.13 H new ATOM 168 N VAL A 13 -7.622 5.086 -7.995 1.00 30.55 N ATOM 169 CA VAL A 13 -7.796 4.242 -6.819 1.00 52.01 C ATOM 170 C VAL A 13 -9.261 3.866 -6.624 1.00 23.02 C ATOM 171 O VAL A 13 -10.146 4.720 -6.683 1.00 0.50 O ATOM 172 CB VAL A 13 -7.283 4.941 -5.546 1.00 11.32 C ATOM 173 CG1 VAL A 13 -7.436 4.030 -4.338 1.00 31.24 C ATOM 174 CG2 VAL A 13 -5.834 5.369 -5.721 1.00 73.23 C ATOM 0 H VAL A 13 -8.270 5.872 -8.050 1.00 30.55 H new ATOM 0 HA VAL A 13 -7.211 3.338 -6.989 1.00 52.01 H new ATOM 0 HB VAL A 13 -7.884 5.834 -5.376 1.00 11.32 H new ATOM 0 HG11 VAL A 13 -7.068 4.541 -3.448 1.00 31.24 H new ATOM 0 HG12 VAL A 13 -8.488 3.778 -4.203 1.00 31.24 H new ATOM 0 HG13 VAL A 13 -6.862 3.117 -4.496 1.00 31.24 H new ATOM 0 HG21 VAL A 13 -5.488 5.861 -4.812 1.00 73.23 H new ATOM 0 HG22 VAL A 13 -5.217 4.492 -5.917 1.00 73.23 H new ATOM 0 HG23 VAL A 13 -5.758 6.061 -6.560 1.00 73.23 H new ATOM 184 N LYS A 14 -9.509 2.582 -6.390 1.00 52.52 N ATOM 185 CA LYS A 14 -10.866 2.091 -6.184 1.00 72.00 C ATOM 186 C LYS A 14 -11.013 1.457 -4.804 1.00 44.44 C ATOM 187 O LYS A 14 -10.320 0.493 -4.476 1.00 60.24 O ATOM 188 CB LYS A 14 -11.231 1.072 -7.266 1.00 14.22 C ATOM 189 CG LYS A 14 -11.925 1.686 -8.470 1.00 54.35 C ATOM 190 CD LYS A 14 -13.396 1.309 -8.518 1.00 14.43 C ATOM 191 CE LYS A 14 -14.271 2.403 -7.928 1.00 23.14 C ATOM 192 NZ LYS A 14 -15.521 2.598 -8.713 1.00 30.55 N ATOM 0 H LYS A 14 -8.788 1.863 -6.338 1.00 52.52 H new ATOM 0 HA LYS A 14 -11.546 2.940 -6.248 1.00 72.00 H new ATOM 0 HB2 LYS A 14 -10.324 0.567 -7.598 1.00 14.22 H new ATOM 0 HB3 LYS A 14 -11.879 0.311 -6.832 1.00 14.22 H new ATOM 0 HG2 LYS A 14 -11.828 2.771 -8.433 1.00 54.35 H new ATOM 0 HG3 LYS A 14 -11.433 1.353 -9.384 1.00 54.35 H new ATOM 0 HD2 LYS A 14 -13.691 1.123 -9.551 1.00 14.43 H new ATOM 0 HD3 LYS A 14 -13.553 0.380 -7.969 1.00 14.43 H new ATOM 0 HE2 LYS A 14 -14.525 2.149 -6.899 1.00 23.14 H new ATOM 0 HE3 LYS A 14 -13.712 3.338 -7.897 1.00 23.14 H new ATOM 0 HZ1 LYS A 14 -16.090 3.352 -8.278 1.00 30.55 H new ATOM 0 HZ2 LYS A 14 -15.280 2.865 -9.689 1.00 30.55 H new ATOM 0 HZ3 LYS A 14 -16.067 1.713 -8.721 1.00 30.55 H new ATOM 202 N THR A 15 -11.918 2.004 -4.000 1.00 74.14 N ATOM 203 CA THR A 15 -12.155 1.492 -2.656 1.00 71.02 C ATOM 204 C THR A 15 -12.982 0.211 -2.692 1.00 44.41 C ATOM 205 O THR A 15 -13.446 -0.210 -3.752 1.00 1.43 O ATOM 206 CB THR A 15 -12.878 2.530 -1.777 1.00 3.54 C ATOM 207 OG1 THR A 15 -14.197 2.765 -2.283 1.00 75.13 O ATOM 208 CG2 THR A 15 -12.104 3.840 -1.740 1.00 2.41 C ATOM 0 H THR A 15 -12.499 2.802 -4.256 1.00 74.14 H new ATOM 0 HA THR A 15 -11.177 1.279 -2.224 1.00 71.02 H new ATOM 0 HB THR A 15 -12.942 2.135 -0.763 1.00 3.54 H new ATOM 0 HG1 THR A 15 -14.172 2.792 -3.262 1.00 75.13 H new ATOM 0 HG21 THR A 15 -12.633 4.558 -1.113 1.00 2.41 H new ATOM 0 HG22 THR A 15 -11.110 3.664 -1.329 1.00 2.41 H new ATOM 0 HG23 THR A 15 -12.014 4.238 -2.751 1.00 2.41 H new ATOM 216 N LEU A 16 -13.162 -0.405 -1.529 1.00 3.21 N ATOM 217 CA LEU A 16 -13.933 -1.638 -1.428 1.00 55.52 C ATOM 218 C LEU A 16 -15.431 -1.349 -1.470 1.00 65.01 C ATOM 219 O LEU A 16 -16.252 -2.266 -1.494 1.00 73.15 O ATOM 220 CB LEU A 16 -13.582 -2.379 -0.137 1.00 3.40 C ATOM 221 CG LEU A 16 -13.620 -1.547 1.146 1.00 44.11 C ATOM 222 CD1 LEU A 16 -14.822 -1.928 1.995 1.00 3.24 C ATOM 223 CD2 LEU A 16 -12.330 -1.725 1.934 1.00 33.44 C ATOM 0 H LEU A 16 -12.784 -0.070 -0.643 1.00 3.21 H new ATOM 0 HA LEU A 16 -13.678 -2.267 -2.281 1.00 55.52 H new ATOM 0 HB2 LEU A 16 -14.270 -3.216 -0.024 1.00 3.40 H new ATOM 0 HB3 LEU A 16 -12.582 -2.800 -0.244 1.00 3.40 H new ATOM 0 HG LEU A 16 -13.714 -0.496 0.872 1.00 44.11 H new ATOM 0 HD11 LEU A 16 -14.832 -1.325 2.903 1.00 3.24 H new ATOM 0 HD12 LEU A 16 -15.737 -1.749 1.431 1.00 3.24 H new ATOM 0 HD13 LEU A 16 -14.760 -2.983 2.260 1.00 3.24 H new ATOM 0 HD21 LEU A 16 -12.374 -1.126 2.844 1.00 33.44 H new ATOM 0 HD22 LEU A 16 -12.206 -2.776 2.197 1.00 33.44 H new ATOM 0 HD23 LEU A 16 -11.485 -1.401 1.327 1.00 33.44 H new ATOM 234 N THR A 17 -15.781 -0.066 -1.482 1.00 41.03 N ATOM 235 CA THR A 17 -17.178 0.345 -1.522 1.00 50.00 C ATOM 236 C THR A 17 -17.534 0.948 -2.875 1.00 13.33 C ATOM 237 O THR A 17 -18.675 0.855 -3.327 1.00 55.00 O ATOM 238 CB THR A 17 -17.494 1.370 -0.417 1.00 73.22 C ATOM 239 OG1 THR A 17 -18.910 1.464 -0.226 1.00 73.34 O ATOM 240 CG2 THR A 17 -16.933 2.739 -0.771 1.00 1.21 C ATOM 0 H THR A 17 -15.115 0.706 -1.465 1.00 41.03 H new ATOM 0 HA THR A 17 -17.776 -0.551 -1.357 1.00 50.00 H new ATOM 0 HB THR A 17 -17.025 1.031 0.507 1.00 73.22 H new ATOM 0 HG1 THR A 17 -19.102 2.117 0.479 1.00 73.34 H new ATOM 0 HG21 THR A 17 -17.169 3.446 0.025 1.00 1.21 H new ATOM 0 HG22 THR A 17 -15.851 2.670 -0.886 1.00 1.21 H new ATOM 0 HG23 THR A 17 -17.376 3.083 -1.705 1.00 1.21 H new ATOM 248 N GLY A 18 -16.551 1.567 -3.520 1.00 65.11 N ATOM 249 CA GLY A 18 -16.782 2.176 -4.817 1.00 5.14 C ATOM 250 C GLY A 18 -16.272 3.602 -4.887 1.00 45.13 C ATOM 251 O GLY A 18 -16.213 4.196 -5.964 1.00 20.43 O ATOM 0 H GLY A 18 -15.598 1.658 -3.168 1.00 65.11 H new ATOM 0 HA2 GLY A 18 -16.292 1.580 -5.587 1.00 5.14 H new ATOM 0 HA3 GLY A 18 -17.850 2.164 -5.036 1.00 5.14 H new ATOM 255 N LYS A 19 -15.901 4.154 -3.736 1.00 12.13 N ATOM 256 CA LYS A 19 -15.394 5.519 -3.670 1.00 23.53 C ATOM 257 C LYS A 19 -14.094 5.655 -4.455 1.00 11.34 C ATOM 258 O LYS A 19 -13.333 4.696 -4.588 1.00 22.01 O ATOM 259 CB LYS A 19 -15.168 5.931 -2.213 1.00 52.21 C ATOM 260 CG LYS A 19 -16.177 6.944 -1.704 1.00 32.52 C ATOM 261 CD LYS A 19 -17.594 6.396 -1.754 1.00 43.14 C ATOM 262 CE LYS A 19 -18.617 7.462 -1.399 1.00 32.44 C ATOM 263 NZ LYS A 19 -19.133 7.296 -0.011 1.00 4.43 N ATOM 0 H LYS A 19 -15.942 3.676 -2.836 1.00 12.13 H new ATOM 0 HA LYS A 19 -16.138 6.178 -4.117 1.00 23.53 H new ATOM 0 HB2 LYS A 19 -15.208 5.043 -1.583 1.00 52.21 H new ATOM 0 HB3 LYS A 19 -14.166 6.348 -2.113 1.00 52.21 H new ATOM 0 HG2 LYS A 19 -15.930 7.222 -0.679 1.00 32.52 H new ATOM 0 HG3 LYS A 19 -16.116 7.852 -2.304 1.00 32.52 H new ATOM 0 HD2 LYS A 19 -17.801 6.010 -2.752 1.00 43.14 H new ATOM 0 HD3 LYS A 19 -17.686 5.558 -1.063 1.00 43.14 H new ATOM 0 HE2 LYS A 19 -18.165 8.448 -1.503 1.00 32.44 H new ATOM 0 HE3 LYS A 19 -19.448 7.417 -2.103 1.00 32.44 H new ATOM 0 HZ1 LYS A 19 -19.828 8.042 0.193 1.00 4.43 H new ATOM 0 HZ2 LYS A 19 -19.587 6.365 0.081 1.00 4.43 H new ATOM 0 HZ3 LYS A 19 -18.344 7.365 0.663 1.00 4.43 H new ATOM 273 N THR A 20 -13.843 6.854 -4.974 1.00 13.01 N ATOM 274 CA THR A 20 -12.635 7.115 -5.746 1.00 54.04 C ATOM 275 C THR A 20 -11.803 8.221 -5.106 1.00 42.30 C ATOM 276 O THR A 20 -12.319 9.290 -4.782 1.00 4.04 O ATOM 277 CB THR A 20 -12.970 7.513 -7.195 1.00 51.52 C ATOM 278 OG1 THR A 20 -14.314 8.001 -7.272 1.00 72.02 O ATOM 279 CG2 THR A 20 -12.801 6.328 -8.135 1.00 64.44 C ATOM 0 H THR A 20 -14.461 7.659 -4.873 1.00 13.01 H new ATOM 0 HA THR A 20 -12.059 6.190 -5.756 1.00 54.04 H new ATOM 0 HB THR A 20 -12.280 8.300 -7.500 1.00 51.52 H new ATOM 0 HG1 THR A 20 -14.518 8.253 -8.197 1.00 72.02 H new ATOM 0 HG21 THR A 20 -13.043 6.634 -9.153 1.00 64.44 H new ATOM 0 HG22 THR A 20 -11.770 5.978 -8.097 1.00 64.44 H new ATOM 0 HG23 THR A 20 -13.469 5.523 -7.829 1.00 64.44 H new ATOM 287 N ILE A 21 -10.513 7.956 -4.929 1.00 51.04 N ATOM 288 CA ILE A 21 -9.609 8.930 -4.331 1.00 74.41 C ATOM 289 C ILE A 21 -8.322 9.056 -5.138 1.00 12.11 C ATOM 290 O ILE A 21 -7.752 8.057 -5.578 1.00 44.32 O ATOM 291 CB ILE A 21 -9.256 8.553 -2.879 1.00 30.03 C ATOM 292 CG1 ILE A 21 -8.858 7.078 -2.795 1.00 23.22 C ATOM 293 CG2 ILE A 21 -10.430 8.845 -1.956 1.00 4.41 C ATOM 294 CD1 ILE A 21 -10.029 6.149 -2.565 1.00 11.42 C ATOM 0 H ILE A 21 -10.071 7.075 -5.191 1.00 51.04 H new ATOM 0 HA ILE A 21 -10.131 9.887 -4.334 1.00 74.41 H new ATOM 0 HB ILE A 21 -8.408 9.157 -2.557 1.00 30.03 H new ATOM 0 HG12 ILE A 21 -8.354 6.793 -3.719 1.00 23.22 H new ATOM 0 HG13 ILE A 21 -8.138 6.950 -1.986 1.00 23.22 H new ATOM 0 HG21 ILE A 21 -10.166 8.574 -0.934 1.00 4.41 H new ATOM 0 HG22 ILE A 21 -10.671 9.907 -1.999 1.00 4.41 H new ATOM 0 HG23 ILE A 21 -11.296 8.264 -2.273 1.00 4.41 H new ATOM 0 HD11 ILE A 21 -9.673 5.120 -2.516 1.00 11.42 H new ATOM 0 HD12 ILE A 21 -10.520 6.408 -1.627 1.00 11.42 H new ATOM 0 HD13 ILE A 21 -10.739 6.249 -3.386 1.00 11.42 H new ATOM 305 N THR A 22 -7.867 10.290 -5.329 1.00 15.13 N ATOM 306 CA THR A 22 -6.647 10.547 -6.084 1.00 31.43 C ATOM 307 C THR A 22 -5.409 10.252 -5.245 1.00 35.23 C ATOM 308 O THR A 22 -5.246 10.790 -4.149 1.00 20.33 O ATOM 309 CB THR A 22 -6.585 12.007 -6.572 1.00 33.02 C ATOM 310 OG1 THR A 22 -7.907 12.494 -6.829 1.00 12.23 O ATOM 311 CG2 THR A 22 -5.743 12.120 -7.834 1.00 12.04 C ATOM 0 H THR A 22 -8.325 11.128 -4.971 1.00 15.13 H new ATOM 0 HA THR A 22 -6.665 9.883 -6.948 1.00 31.43 H new ATOM 0 HB THR A 22 -6.122 12.609 -5.790 1.00 33.02 H new ATOM 0 HG1 THR A 22 -7.854 13.367 -7.271 1.00 12.23 H new ATOM 0 HG21 THR A 22 -5.714 13.160 -8.160 1.00 12.04 H new ATOM 0 HG22 THR A 22 -4.730 11.776 -7.627 1.00 12.04 H new ATOM 0 HG23 THR A 22 -6.182 11.506 -8.620 1.00 12.04 H new ATOM 319 N LEU A 23 -4.539 9.393 -5.765 1.00 22.51 N ATOM 320 CA LEU A 23 -3.314 9.027 -5.063 1.00 45.13 C ATOM 321 C LEU A 23 -2.083 9.508 -5.826 1.00 31.23 C ATOM 322 O LEU A 23 -2.147 9.758 -7.029 1.00 5.54 O ATOM 323 CB LEU A 23 -3.246 7.510 -4.871 1.00 33.45 C ATOM 324 CG LEU A 23 -3.591 6.996 -3.473 1.00 10.45 C ATOM 325 CD1 LEU A 23 -2.451 7.273 -2.506 1.00 3.43 C ATOM 326 CD2 LEU A 23 -4.881 7.629 -2.974 1.00 12.03 C ATOM 0 H LEU A 23 -4.659 8.937 -6.670 1.00 22.51 H new ATOM 0 HA LEU A 23 -3.327 9.512 -4.087 1.00 45.13 H new ATOM 0 HB2 LEU A 23 -3.923 7.042 -5.586 1.00 33.45 H new ATOM 0 HB3 LEU A 23 -2.239 7.177 -5.121 1.00 33.45 H new ATOM 0 HG LEU A 23 -3.738 5.917 -3.530 1.00 10.45 H new ATOM 0 HD11 LEU A 23 -2.715 6.900 -1.516 1.00 3.43 H new ATOM 0 HD12 LEU A 23 -1.548 6.771 -2.854 1.00 3.43 H new ATOM 0 HD13 LEU A 23 -2.271 8.347 -2.453 1.00 3.43 H new ATOM 0 HD21 LEU A 23 -5.110 7.251 -1.978 1.00 12.03 H new ATOM 0 HD22 LEU A 23 -4.763 8.712 -2.933 1.00 12.03 H new ATOM 0 HD23 LEU A 23 -5.696 7.378 -3.653 1.00 12.03 H new ATOM 337 N GLU A 24 -0.966 9.635 -5.118 1.00 60.12 N ATOM 338 CA GLU A 24 0.279 10.085 -5.730 1.00 61.14 C ATOM 339 C GLU A 24 1.192 8.902 -6.041 1.00 15.24 C ATOM 340 O GLU A 24 1.139 7.870 -5.372 1.00 14.13 O ATOM 341 CB GLU A 24 1.000 11.071 -4.807 1.00 12.53 C ATOM 342 CG GLU A 24 1.432 10.460 -3.485 1.00 24.51 C ATOM 343 CD GLU A 24 2.618 11.180 -2.871 1.00 34.11 C ATOM 344 OE1 GLU A 24 2.584 12.426 -2.799 1.00 71.32 O ATOM 345 OE2 GLU A 24 3.579 10.495 -2.464 1.00 62.42 O ATOM 0 H GLU A 24 -0.897 9.433 -4.121 1.00 60.12 H new ATOM 0 HA GLU A 24 0.033 10.587 -6.666 1.00 61.14 H new ATOM 0 HB2 GLU A 24 1.878 11.462 -5.321 1.00 12.53 H new ATOM 0 HB3 GLU A 24 0.343 11.918 -4.609 1.00 12.53 H new ATOM 0 HG2 GLU A 24 0.595 10.484 -2.787 1.00 24.51 H new ATOM 0 HG3 GLU A 24 1.688 9.412 -3.639 1.00 24.51 H new ATOM 350 N VAL A 25 2.028 9.060 -7.062 1.00 12.23 N ATOM 351 CA VAL A 25 2.953 8.007 -7.463 1.00 53.24 C ATOM 352 C VAL A 25 4.381 8.534 -7.553 1.00 30.13 C ATOM 353 O VAL A 25 4.604 9.685 -7.925 1.00 41.24 O ATOM 354 CB VAL A 25 2.556 7.397 -8.820 1.00 33.32 C ATOM 355 CG1 VAL A 25 1.078 7.035 -8.831 1.00 71.32 C ATOM 356 CG2 VAL A 25 2.886 8.357 -9.953 1.00 60.41 C ATOM 0 H VAL A 25 2.084 9.908 -7.627 1.00 12.23 H new ATOM 0 HA VAL A 25 2.902 7.233 -6.697 1.00 53.24 H new ATOM 0 HB VAL A 25 3.131 6.483 -8.970 1.00 33.32 H new ATOM 0 HG11 VAL A 25 0.816 6.605 -9.798 1.00 71.32 H new ATOM 0 HG12 VAL A 25 0.875 6.308 -8.044 1.00 71.32 H new ATOM 0 HG13 VAL A 25 0.483 7.932 -8.659 1.00 71.32 H new ATOM 0 HG21 VAL A 25 2.599 7.909 -10.904 1.00 60.41 H new ATOM 0 HG22 VAL A 25 2.339 9.289 -9.811 1.00 60.41 H new ATOM 0 HG23 VAL A 25 3.957 8.561 -9.957 1.00 60.41 H new ATOM 366 N GLU A 26 5.342 7.683 -7.210 1.00 44.31 N ATOM 367 CA GLU A 26 6.749 8.065 -7.253 1.00 40.22 C ATOM 368 C GLU A 26 7.642 6.901 -6.831 1.00 41.42 C ATOM 369 O GLU A 26 7.420 6.254 -5.807 1.00 31.44 O ATOM 370 CB GLU A 26 7.002 9.270 -6.345 1.00 54.42 C ATOM 371 CG GLU A 26 7.799 10.378 -7.012 1.00 11.43 C ATOM 372 CD GLU A 26 7.071 10.990 -8.194 1.00 60.10 C ATOM 373 OE1 GLU A 26 6.136 11.786 -7.966 1.00 32.31 O ATOM 374 OE2 GLU A 26 7.435 10.673 -9.345 1.00 42.43 O ATOM 0 H GLU A 26 5.173 6.726 -6.900 1.00 44.31 H new ATOM 0 HA GLU A 26 6.994 8.335 -8.280 1.00 40.22 H new ATOM 0 HB2 GLU A 26 6.045 9.672 -6.013 1.00 54.42 H new ATOM 0 HB3 GLU A 26 7.534 8.937 -5.454 1.00 54.42 H new ATOM 0 HG2 GLU A 26 8.015 11.156 -6.280 1.00 11.43 H new ATOM 0 HG3 GLU A 26 8.757 9.981 -7.346 1.00 11.43 H new ATOM 379 N PRO A 27 8.676 6.624 -7.640 1.00 21.25 N ATOM 380 CA PRO A 27 9.623 5.538 -7.372 1.00 14.03 C ATOM 381 C PRO A 27 10.514 5.829 -6.170 1.00 73.02 C ATOM 382 O PRO A 27 11.200 4.941 -5.664 1.00 2.22 O ATOM 383 CB PRO A 27 10.457 5.471 -8.653 1.00 45.43 C ATOM 384 CG PRO A 27 10.367 6.839 -9.236 1.00 44.05 C ATOM 385 CD PRO A 27 9.000 7.353 -8.879 1.00 62.45 C ATOM 0 HA PRO A 27 9.115 4.605 -7.129 1.00 14.03 H new ATOM 0 HB2 PRO A 27 11.491 5.199 -8.439 1.00 45.43 H new ATOM 0 HB3 PRO A 27 10.066 4.721 -9.341 1.00 45.43 H new ATOM 0 HG2 PRO A 27 11.145 7.487 -8.832 1.00 44.05 H new ATOM 0 HG3 PRO A 27 10.504 6.812 -10.317 1.00 44.05 H new ATOM 0 HD2 PRO A 27 9.004 8.432 -8.722 1.00 62.45 H new ATOM 0 HD3 PRO A 27 8.275 7.149 -9.667 1.00 62.45 H new ATOM 390 N SER A 28 10.499 7.079 -5.716 1.00 4.44 N ATOM 391 CA SER A 28 11.310 7.488 -4.575 1.00 15.41 C ATOM 392 C SER A 28 10.432 7.760 -3.357 1.00 43.04 C ATOM 393 O SER A 28 10.925 7.853 -2.232 1.00 51.12 O ATOM 394 CB SER A 28 12.122 8.736 -4.922 1.00 64.54 C ATOM 395 OG SER A 28 12.349 9.533 -3.771 1.00 1.31 O ATOM 0 H SER A 28 9.934 7.826 -6.121 1.00 4.44 H new ATOM 0 HA SER A 28 11.994 6.674 -4.334 1.00 15.41 H new ATOM 0 HB2 SER A 28 13.076 8.443 -5.359 1.00 64.54 H new ATOM 0 HB3 SER A 28 11.593 9.321 -5.674 1.00 64.54 H new ATOM 0 HG SER A 28 12.871 10.324 -4.019 1.00 1.31 H new ATOM 400 N ASP A 29 9.131 7.886 -3.589 1.00 53.21 N ATOM 401 CA ASP A 29 8.183 8.146 -2.510 1.00 4.12 C ATOM 402 C ASP A 29 7.429 6.876 -2.132 1.00 12.42 C ATOM 403 O ASP A 29 6.807 6.233 -2.979 1.00 43.32 O ATOM 404 CB ASP A 29 7.195 9.237 -2.924 1.00 75.41 C ATOM 405 CG ASP A 29 6.803 10.133 -1.765 1.00 24.10 C ATOM 406 OD1 ASP A 29 7.236 9.854 -0.627 1.00 14.15 O ATOM 407 OD2 ASP A 29 6.065 11.114 -1.996 1.00 45.52 O ATOM 0 H ASP A 29 8.707 7.813 -4.514 1.00 53.21 H new ATOM 0 HA ASP A 29 8.744 8.486 -1.640 1.00 4.12 H new ATOM 0 HB2 ASP A 29 7.638 9.843 -3.714 1.00 75.41 H new ATOM 0 HB3 ASP A 29 6.300 8.774 -3.340 1.00 75.41 H new ATOM 411 N THR A 30 7.488 6.517 -0.853 1.00 31.02 N ATOM 412 CA THR A 30 6.812 5.323 -0.362 1.00 64.02 C ATOM 413 C THR A 30 5.416 5.653 0.154 1.00 3.45 C ATOM 414 O THR A 30 5.052 6.823 0.280 1.00 54.42 O ATOM 415 CB THR A 30 7.616 4.646 0.764 1.00 13.53 C ATOM 416 OG1 THR A 30 6.972 3.430 1.163 1.00 13.34 O ATOM 417 CG2 THR A 30 7.752 5.571 1.964 1.00 52.45 C ATOM 0 H THR A 30 7.997 7.037 -0.138 1.00 31.02 H new ATOM 0 HA THR A 30 6.731 4.637 -1.205 1.00 64.02 H new ATOM 0 HB THR A 30 8.613 4.421 0.384 1.00 13.53 H new ATOM 0 HG1 THR A 30 7.490 3.005 1.878 1.00 13.34 H new ATOM 0 HG21 THR A 30 8.323 5.071 2.746 1.00 52.45 H new ATOM 0 HG22 THR A 30 8.268 6.483 1.664 1.00 52.45 H new ATOM 0 HG23 THR A 30 6.762 5.823 2.343 1.00 52.45 H new ATOM 425 N ILE A 31 4.640 4.617 0.450 1.00 34.32 N ATOM 426 CA ILE A 31 3.284 4.798 0.954 1.00 34.32 C ATOM 427 C ILE A 31 3.271 5.698 2.186 1.00 54.51 C ATOM 428 O ILE A 31 2.276 6.365 2.468 1.00 41.13 O ATOM 429 CB ILE A 31 2.630 3.450 1.311 1.00 44.52 C ATOM 430 CG1 ILE A 31 2.253 2.689 0.037 1.00 71.33 C ATOM 431 CG2 ILE A 31 1.405 3.670 2.185 1.00 63.20 C ATOM 432 CD1 ILE A 31 3.424 1.993 -0.619 1.00 4.24 C ATOM 0 H ILE A 31 4.926 3.643 0.350 1.00 34.32 H new ATOM 0 HA ILE A 31 2.712 5.270 0.155 1.00 34.32 H new ATOM 0 HB ILE A 31 3.348 2.851 1.871 1.00 44.52 H new ATOM 0 HG12 ILE A 31 1.489 1.949 0.278 1.00 71.33 H new ATOM 0 HG13 ILE A 31 1.809 3.385 -0.675 1.00 71.33 H new ATOM 0 HG21 ILE A 31 0.954 2.708 2.429 1.00 63.20 H new ATOM 0 HG22 ILE A 31 1.700 4.176 3.104 1.00 63.20 H new ATOM 0 HG23 ILE A 31 0.681 4.284 1.649 1.00 63.20 H new ATOM 0 HD11 ILE A 31 3.083 1.474 -1.515 1.00 4.24 H new ATOM 0 HD12 ILE A 31 4.179 2.730 -0.891 1.00 4.24 H new ATOM 0 HD13 ILE A 31 3.855 1.272 0.076 1.00 4.24 H new ATOM 443 N GLU A 32 4.384 5.712 2.914 1.00 14.40 N ATOM 444 CA GLU A 32 4.500 6.531 4.115 1.00 1.40 C ATOM 445 C GLU A 32 4.104 7.976 3.827 1.00 25.32 C ATOM 446 O GLU A 32 3.232 8.536 4.489 1.00 34.42 O ATOM 447 CB GLU A 32 5.929 6.479 4.657 1.00 20.14 C ATOM 448 CG GLU A 32 6.092 7.156 6.008 1.00 54.54 C ATOM 449 CD GLU A 32 7.543 7.274 6.430 1.00 63.23 C ATOM 450 OE1 GLU A 32 8.185 8.283 6.069 1.00 41.20 O ATOM 451 OE2 GLU A 32 8.038 6.359 7.121 1.00 23.15 O ATOM 0 H GLU A 32 5.217 5.166 2.693 1.00 14.40 H new ATOM 0 HA GLU A 32 3.820 6.130 4.866 1.00 1.40 H new ATOM 0 HB2 GLU A 32 6.239 5.437 4.742 1.00 20.14 H new ATOM 0 HB3 GLU A 32 6.598 6.953 3.939 1.00 20.14 H new ATOM 0 HG2 GLU A 32 5.647 8.150 5.968 1.00 54.54 H new ATOM 0 HG3 GLU A 32 5.543 6.591 6.762 1.00 54.54 H new ATOM 456 N ASN A 33 4.754 8.575 2.834 1.00 65.51 N ATOM 457 CA ASN A 33 4.473 9.957 2.460 1.00 53.52 C ATOM 458 C ASN A 33 3.211 10.042 1.606 1.00 34.12 C ATOM 459 O ASN A 33 2.397 10.950 1.772 1.00 12.43 O ATOM 460 CB ASN A 33 5.659 10.552 1.697 1.00 32.34 C ATOM 461 CG ASN A 33 6.008 11.948 2.173 1.00 22.33 C ATOM 462 OD1 ASN A 33 5.236 12.890 1.990 1.00 21.41 O ATOM 463 ND2 ASN A 33 7.178 12.089 2.786 1.00 60.33 N ATOM 0 H ASN A 33 5.478 8.125 2.274 1.00 65.51 H new ATOM 0 HA ASN A 33 4.313 10.530 3.373 1.00 53.52 H new ATOM 0 HB2 ASN A 33 6.527 9.903 1.815 1.00 32.34 H new ATOM 0 HB3 ASN A 33 5.426 10.581 0.633 1.00 32.34 H new ATOM 0 HD21 ASN A 33 7.468 13.006 3.127 1.00 60.33 H new ATOM 0 HD22 ASN A 33 7.786 11.281 2.916 1.00 60.33 H new ATOM 469 N VAL A 34 3.055 9.088 0.692 1.00 74.42 N ATOM 470 CA VAL A 34 1.892 9.054 -0.185 1.00 64.02 C ATOM 471 C VAL A 34 0.597 9.117 0.615 1.00 54.12 C ATOM 472 O VAL A 34 -0.401 9.677 0.161 1.00 20.44 O ATOM 473 CB VAL A 34 1.883 7.783 -1.055 1.00 3.23 C ATOM 474 CG1 VAL A 34 0.660 7.763 -1.960 1.00 62.33 C ATOM 475 CG2 VAL A 34 3.162 7.690 -1.874 1.00 63.02 C ATOM 0 H VAL A 34 3.720 8.329 0.541 1.00 74.42 H new ATOM 0 HA VAL A 34 1.958 9.929 -0.832 1.00 64.02 H new ATOM 0 HB VAL A 34 1.834 6.915 -0.398 1.00 3.23 H new ATOM 0 HG11 VAL A 34 0.671 6.858 -2.567 1.00 62.33 H new ATOM 0 HG12 VAL A 34 -0.244 7.780 -1.351 1.00 62.33 H new ATOM 0 HG13 VAL A 34 0.675 8.637 -2.612 1.00 62.33 H new ATOM 0 HG21 VAL A 34 3.139 6.786 -2.483 1.00 63.02 H new ATOM 0 HG22 VAL A 34 3.243 8.562 -2.522 1.00 63.02 H new ATOM 0 HG23 VAL A 34 4.021 7.655 -1.204 1.00 63.02 H new ATOM 485 N LYS A 35 0.618 8.539 1.812 1.00 11.31 N ATOM 486 CA LYS A 35 -0.554 8.530 2.679 1.00 23.11 C ATOM 487 C LYS A 35 -1.114 9.939 2.850 1.00 14.21 C ATOM 488 O LYS A 35 -2.309 10.116 3.092 1.00 44.41 O ATOM 489 CB LYS A 35 -0.197 7.943 4.046 1.00 15.30 C ATOM 490 CG LYS A 35 0.448 8.943 4.989 1.00 55.11 C ATOM 491 CD LYS A 35 -0.587 9.634 5.862 1.00 23.13 C ATOM 492 CE LYS A 35 -0.023 9.973 7.233 1.00 73.31 C ATOM 493 NZ LYS A 35 0.039 8.777 8.118 1.00 32.22 N ATOM 0 H LYS A 35 1.435 8.070 2.204 1.00 11.31 H new ATOM 0 HA LYS A 35 -1.317 7.908 2.211 1.00 23.11 H new ATOM 0 HB2 LYS A 35 -1.101 7.550 4.510 1.00 15.30 H new ATOM 0 HB3 LYS A 35 0.480 7.101 3.904 1.00 15.30 H new ATOM 0 HG2 LYS A 35 1.175 8.432 5.620 1.00 55.11 H new ATOM 0 HG3 LYS A 35 0.995 9.689 4.412 1.00 55.11 H new ATOM 0 HD2 LYS A 35 -0.927 10.546 5.372 1.00 23.13 H new ATOM 0 HD3 LYS A 35 -1.458 8.989 5.975 1.00 23.13 H new ATOM 0 HE2 LYS A 35 0.976 10.394 7.121 1.00 73.31 H new ATOM 0 HE3 LYS A 35 -0.641 10.739 7.701 1.00 73.31 H new ATOM 0 HZ1 LYS A 35 0.445 9.046 9.037 1.00 32.22 H new ATOM 0 HZ2 LYS A 35 -0.920 8.400 8.260 1.00 32.22 H new ATOM 0 HZ3 LYS A 35 0.636 8.049 7.676 1.00 32.22 H new ATOM 503 N ALA A 36 -0.246 10.937 2.722 1.00 52.55 N ATOM 504 CA ALA A 36 -0.656 12.328 2.859 1.00 5.35 C ATOM 505 C ALA A 36 -1.640 12.721 1.762 1.00 22.24 C ATOM 506 O ALA A 36 -2.651 13.374 2.025 1.00 42.30 O ATOM 507 CB ALA A 36 0.560 13.241 2.831 1.00 23.33 C ATOM 0 H ALA A 36 0.746 10.807 2.524 1.00 52.55 H new ATOM 0 HA ALA A 36 -1.159 12.440 3.819 1.00 5.35 H new ATOM 0 HB1 ALA A 36 0.239 14.278 2.934 1.00 23.33 H new ATOM 0 HB2 ALA A 36 1.227 12.984 3.654 1.00 23.33 H new ATOM 0 HB3 ALA A 36 1.087 13.117 1.885 1.00 23.33 H new ATOM 513 N LYS A 37 -1.338 12.320 0.532 1.00 32.12 N ATOM 514 CA LYS A 37 -2.197 12.630 -0.606 1.00 50.45 C ATOM 515 C LYS A 37 -3.571 11.989 -0.440 1.00 3.33 C ATOM 516 O LYS A 37 -4.597 12.660 -0.563 1.00 2.44 O ATOM 517 CB LYS A 37 -1.550 12.145 -1.906 1.00 42.03 C ATOM 518 CG LYS A 37 -0.630 13.170 -2.546 1.00 60.02 C ATOM 519 CD LYS A 37 -1.244 13.760 -3.804 1.00 4.34 C ATOM 520 CE LYS A 37 -1.927 15.089 -3.521 1.00 73.12 C ATOM 521 NZ LYS A 37 -2.354 15.772 -4.774 1.00 63.24 N ATOM 0 H LYS A 37 -0.505 11.780 0.297 1.00 32.12 H new ATOM 0 HA LYS A 37 -2.323 13.712 -0.651 1.00 50.45 H new ATOM 0 HB2 LYS A 37 -0.983 11.237 -1.703 1.00 42.03 H new ATOM 0 HB3 LYS A 37 -2.334 11.880 -2.615 1.00 42.03 H new ATOM 0 HG2 LYS A 37 -0.421 13.968 -1.833 1.00 60.02 H new ATOM 0 HG3 LYS A 37 0.324 12.702 -2.790 1.00 60.02 H new ATOM 0 HD2 LYS A 37 -0.468 13.901 -4.557 1.00 4.34 H new ATOM 0 HD3 LYS A 37 -1.968 13.059 -4.220 1.00 4.34 H new ATOM 0 HE2 LYS A 37 -2.796 14.922 -2.884 1.00 73.12 H new ATOM 0 HE3 LYS A 37 -1.246 15.737 -2.968 1.00 73.12 H new ATOM 0 HZ1 LYS A 37 -2.815 16.674 -4.538 1.00 63.24 H new ATOM 0 HZ2 LYS A 37 -1.522 15.954 -5.371 1.00 63.24 H new ATOM 0 HZ3 LYS A 37 -3.023 15.165 -5.289 1.00 63.24 H new ATOM 531 N ILE A 38 -3.585 10.691 -0.161 1.00 44.02 N ATOM 532 CA ILE A 38 -4.834 9.962 0.023 1.00 41.52 C ATOM 533 C ILE A 38 -5.587 10.465 1.250 1.00 44.24 C ATOM 534 O ILE A 38 -6.817 10.444 1.286 1.00 1.33 O ATOM 535 CB ILE A 38 -4.586 8.449 0.170 1.00 72.12 C ATOM 536 CG1 ILE A 38 -5.908 7.684 0.086 1.00 42.22 C ATOM 537 CG2 ILE A 38 -3.879 8.153 1.485 1.00 21.22 C ATOM 538 CD1 ILE A 38 -6.559 7.451 1.432 1.00 31.22 C ATOM 0 H ILE A 38 -2.745 10.121 -0.057 1.00 44.02 H new ATOM 0 HA ILE A 38 -5.437 10.137 -0.868 1.00 41.52 H new ATOM 0 HB ILE A 38 -3.944 8.120 -0.647 1.00 72.12 H new ATOM 0 HG12 ILE A 38 -6.598 8.237 -0.551 1.00 42.22 H new ATOM 0 HG13 ILE A 38 -5.732 6.722 -0.394 1.00 42.22 H new ATOM 0 HG21 ILE A 38 -3.711 7.080 1.574 1.00 21.22 H new ATOM 0 HG22 ILE A 38 -2.922 8.673 1.509 1.00 21.22 H new ATOM 0 HG23 ILE A 38 -4.498 8.494 2.315 1.00 21.22 H new ATOM 0 HD11 ILE A 38 -7.491 6.903 1.295 1.00 31.22 H new ATOM 0 HD12 ILE A 38 -5.887 6.872 2.066 1.00 31.22 H new ATOM 0 HD13 ILE A 38 -6.768 8.410 1.906 1.00 31.22 H new ATOM 549 N GLN A 39 -4.840 10.917 2.251 1.00 74.25 N ATOM 550 CA GLN A 39 -5.438 11.425 3.481 1.00 24.22 C ATOM 551 C GLN A 39 -6.294 12.656 3.200 1.00 34.03 C ATOM 552 O GLN A 39 -7.280 12.911 3.893 1.00 64.23 O ATOM 553 CB GLN A 39 -4.350 11.769 4.499 1.00 64.12 C ATOM 554 CG GLN A 39 -4.893 12.290 5.819 1.00 33.41 C ATOM 555 CD GLN A 39 -3.796 12.705 6.780 1.00 2.05 C ATOM 556 OE1 GLN A 39 -2.883 11.786 7.068 1.00 13.34 O flip ATOM 557 NE2 GLN A 39 -3.770 13.840 7.258 1.00 50.11 N flip ATOM 0 H GLN A 39 -3.820 10.942 2.235 1.00 74.25 H new ATOM 0 HA GLN A 39 -6.077 10.645 3.894 1.00 24.22 H new ATOM 0 HB2 GLN A 39 -3.748 10.880 4.689 1.00 64.12 H new ATOM 0 HB3 GLN A 39 -3.685 12.518 4.068 1.00 64.12 H new ATOM 0 HG2 GLN A 39 -5.545 13.143 5.628 1.00 33.41 H new ATOM 0 HG3 GLN A 39 -5.506 11.518 6.285 1.00 33.41 H new ATOM 0 HE21 GLN A 39 -4.493 14.515 7.009 1.00 50.11 H new ATOM 0 HE22 GLN A 39 -3.026 14.105 7.903 1.00 50.11 H new ATOM 564 N ASP A 40 -5.912 13.416 2.180 1.00 2.11 N ATOM 565 CA ASP A 40 -6.645 14.621 1.806 1.00 51.43 C ATOM 566 C ASP A 40 -7.921 14.267 1.048 1.00 75.21 C ATOM 567 O ASP A 40 -8.886 15.031 1.043 1.00 62.40 O ATOM 568 CB ASP A 40 -5.766 15.535 0.952 1.00 51.00 C ATOM 569 CG ASP A 40 -5.687 16.944 1.504 1.00 74.54 C ATOM 570 OD1 ASP A 40 -5.342 17.095 2.695 1.00 25.41 O ATOM 571 OD2 ASP A 40 -5.972 17.896 0.748 1.00 4.42 O ATOM 0 H ASP A 40 -5.099 13.219 1.597 1.00 2.11 H new ATOM 0 HA ASP A 40 -6.921 15.147 2.720 1.00 51.43 H new ATOM 0 HB2 ASP A 40 -4.762 15.115 0.891 1.00 51.00 H new ATOM 0 HB3 ASP A 40 -6.160 15.568 -0.064 1.00 51.00 H new ATOM 575 N LYS A 41 -7.918 13.104 0.406 1.00 15.54 N ATOM 576 CA LYS A 41 -9.074 12.647 -0.356 1.00 22.05 C ATOM 577 C LYS A 41 -10.160 12.111 0.571 1.00 30.14 C ATOM 578 O LYS A 41 -11.310 12.548 0.513 1.00 44.00 O ATOM 579 CB LYS A 41 -8.658 11.562 -1.352 1.00 22.22 C ATOM 580 CG LYS A 41 -7.331 11.841 -2.035 1.00 42.34 C ATOM 581 CD LYS A 41 -7.264 13.262 -2.568 1.00 11.40 C ATOM 582 CE LYS A 41 -8.479 13.595 -3.420 1.00 13.52 C ATOM 583 NZ LYS A 41 -8.099 14.274 -4.689 1.00 44.44 N ATOM 0 H LYS A 41 -7.127 12.460 0.398 1.00 15.54 H new ATOM 0 HA LYS A 41 -9.476 13.499 -0.903 1.00 22.05 H new ATOM 0 HB2 LYS A 41 -8.595 10.607 -0.831 1.00 22.22 H new ATOM 0 HB3 LYS A 41 -9.434 11.461 -2.111 1.00 22.22 H new ATOM 0 HG2 LYS A 41 -6.517 11.678 -1.329 1.00 42.34 H new ATOM 0 HG3 LYS A 41 -7.188 11.137 -2.855 1.00 42.34 H new ATOM 0 HD2 LYS A 41 -7.200 13.962 -1.735 1.00 11.40 H new ATOM 0 HD3 LYS A 41 -6.358 13.387 -3.160 1.00 11.40 H new ATOM 0 HE2 LYS A 41 -9.024 12.679 -3.648 1.00 13.52 H new ATOM 0 HE3 LYS A 41 -9.155 14.236 -2.854 1.00 13.52 H new ATOM 0 HZ1 LYS A 41 -8.674 15.133 -4.809 1.00 44.44 H new ATOM 0 HZ2 LYS A 41 -7.092 14.533 -4.656 1.00 44.44 H new ATOM 0 HZ3 LYS A 41 -8.265 13.632 -5.490 1.00 44.44 H new ATOM 593 N GLU A 42 -9.789 11.164 1.425 1.00 63.54 N ATOM 594 CA GLU A 42 -10.732 10.571 2.366 1.00 43.44 C ATOM 595 C GLU A 42 -10.217 10.683 3.798 1.00 35.10 C ATOM 596 O GLU A 42 -10.992 10.871 4.735 1.00 24.43 O ATOM 597 CB GLU A 42 -10.980 9.102 2.015 1.00 51.21 C ATOM 598 CG GLU A 42 -12.047 8.901 0.952 1.00 5.21 C ATOM 599 CD GLU A 42 -12.114 7.470 0.455 1.00 21.34 C ATOM 600 OE1 GLU A 42 -11.095 6.756 0.565 1.00 34.43 O ATOM 601 OE2 GLU A 42 -13.184 7.065 -0.045 1.00 51.32 O ATOM 0 H GLU A 42 -8.842 10.790 1.485 1.00 63.54 H new ATOM 0 HA GLU A 42 -11.671 11.119 2.293 1.00 43.44 H new ATOM 0 HB2 GLU A 42 -10.047 8.657 1.669 1.00 51.21 H new ATOM 0 HB3 GLU A 42 -11.273 8.566 2.918 1.00 51.21 H new ATOM 0 HG2 GLU A 42 -13.017 9.186 1.358 1.00 5.21 H new ATOM 0 HG3 GLU A 42 -11.846 9.565 0.111 1.00 5.21 H new ATOM 606 N GLY A 43 -8.902 10.564 3.960 1.00 11.44 N ATOM 607 CA GLY A 43 -8.306 10.654 5.279 1.00 22.04 C ATOM 608 C GLY A 43 -8.161 9.299 5.943 1.00 3.11 C ATOM 609 O GLY A 43 -8.108 9.205 7.169 1.00 54.12 O ATOM 0 H GLY A 43 -8.240 10.407 3.200 1.00 11.44 H new ATOM 0 HA2 GLY A 43 -7.325 11.123 5.200 1.00 22.04 H new ATOM 0 HA3 GLY A 43 -8.919 11.300 5.908 1.00 22.04 H new ATOM 613 N ILE A 44 -8.097 8.248 5.132 1.00 31.14 N ATOM 614 CA ILE A 44 -7.957 6.893 5.649 1.00 50.34 C ATOM 615 C ILE A 44 -6.561 6.663 6.219 1.00 74.02 C ATOM 616 O ILE A 44 -5.554 7.088 5.653 1.00 34.30 O ATOM 617 CB ILE A 44 -8.232 5.843 4.557 1.00 4.43 C ATOM 618 CG1 ILE A 44 -9.715 5.469 4.539 1.00 53.23 C ATOM 619 CG2 ILE A 44 -7.371 4.608 4.779 1.00 32.11 C ATOM 620 CD1 ILE A 44 -10.337 5.525 3.162 1.00 1.13 C ATOM 0 H ILE A 44 -8.140 8.309 4.115 1.00 31.14 H new ATOM 0 HA ILE A 44 -8.694 6.781 6.444 1.00 50.34 H new ATOM 0 HB ILE A 44 -7.974 6.272 3.589 1.00 4.43 H new ATOM 0 HG12 ILE A 44 -9.832 4.463 4.941 1.00 53.23 H new ATOM 0 HG13 ILE A 44 -10.259 6.142 5.202 1.00 53.23 H new ATOM 0 HG21 ILE A 44 -7.577 3.875 3.999 1.00 32.11 H new ATOM 0 HG22 ILE A 44 -6.318 4.888 4.745 1.00 32.11 H new ATOM 0 HG23 ILE A 44 -7.600 4.175 5.753 1.00 32.11 H new ATOM 0 HD11 ILE A 44 -11.389 5.248 3.226 1.00 1.13 H new ATOM 0 HD12 ILE A 44 -10.252 6.537 2.765 1.00 1.13 H new ATOM 0 HD13 ILE A 44 -9.819 4.831 2.500 1.00 1.13 H new ATOM 631 N PRO A 45 -6.499 5.973 7.367 1.00 72.24 N ATOM 632 CA PRO A 45 -5.232 5.668 8.039 1.00 20.31 C ATOM 633 C PRO A 45 -4.396 4.652 7.268 1.00 23.42 C ATOM 634 O PRO A 45 -4.830 3.531 7.000 1.00 64.43 O ATOM 635 CB PRO A 45 -5.674 5.086 9.385 1.00 2.14 C ATOM 636 CG PRO A 45 -7.035 4.536 9.130 1.00 22.04 C ATOM 637 CD PRO A 45 -7.659 5.435 8.098 1.00 21.20 C ATOM 0 HA PRO A 45 -4.597 6.549 8.128 1.00 20.31 H new ATOM 0 HB2 PRO A 45 -4.990 4.308 9.724 1.00 2.14 H new ATOM 0 HB3 PRO A 45 -5.695 5.852 10.160 1.00 2.14 H new ATOM 0 HG2 PRO A 45 -6.979 3.509 8.770 1.00 22.04 H new ATOM 0 HG3 PRO A 45 -7.628 4.522 10.045 1.00 22.04 H new ATOM 0 HD2 PRO A 45 -8.329 4.884 7.438 1.00 21.20 H new ATOM 0 HD3 PRO A 45 -8.247 6.229 8.559 1.00 21.20 H new ATOM 642 N PRO A 46 -3.169 5.050 6.904 1.00 4.31 N ATOM 643 CA PRO A 46 -2.246 4.187 6.159 1.00 20.13 C ATOM 644 C PRO A 46 -1.726 3.029 7.003 1.00 61.12 C ATOM 645 O PRO A 46 -1.639 1.895 6.531 1.00 52.40 O ATOM 646 CB PRO A 46 -1.101 5.132 5.785 1.00 4.43 C ATOM 647 CG PRO A 46 -1.137 6.201 6.821 1.00 35.14 C ATOM 648 CD PRO A 46 -2.586 6.371 7.189 1.00 21.20 C ATOM 0 HA PRO A 46 -2.729 3.719 5.301 1.00 20.13 H new ATOM 0 HB2 PRO A 46 -0.143 4.612 5.786 1.00 4.43 H new ATOM 0 HB3 PRO A 46 -1.239 5.545 4.786 1.00 4.43 H new ATOM 0 HG2 PRO A 46 -0.543 5.921 7.691 1.00 35.14 H new ATOM 0 HG3 PRO A 46 -0.720 7.132 6.436 1.00 35.14 H new ATOM 0 HD2 PRO A 46 -2.705 6.645 8.237 1.00 21.20 H new ATOM 0 HD3 PRO A 46 -3.061 7.155 6.599 1.00 21.20 H new ATOM 653 N ASP A 47 -1.383 3.320 8.253 1.00 23.13 N ATOM 654 CA ASP A 47 -0.874 2.302 9.163 1.00 24.32 C ATOM 655 C ASP A 47 -1.920 1.219 9.408 1.00 23.24 C ATOM 656 O ASP A 47 -1.603 0.139 9.904 1.00 71.43 O ATOM 657 CB ASP A 47 -0.458 2.937 10.491 1.00 34.21 C ATOM 658 CG ASP A 47 0.535 4.067 10.308 1.00 31.04 C ATOM 659 OD1 ASP A 47 1.220 4.091 9.264 1.00 3.43 O ATOM 660 OD2 ASP A 47 0.629 4.929 11.207 1.00 55.21 O ATOM 0 H ASP A 47 -1.448 4.253 8.659 1.00 23.13 H new ATOM 0 HA ASP A 47 -0.002 1.840 8.701 1.00 24.32 H new ATOM 0 HB2 ASP A 47 -1.343 3.315 11.002 1.00 34.21 H new ATOM 0 HB3 ASP A 47 -0.020 2.173 11.134 1.00 34.21 H new ATOM 664 N GLN A 48 -3.166 1.518 9.057 1.00 32.13 N ATOM 665 CA GLN A 48 -4.259 0.570 9.240 1.00 62.50 C ATOM 666 C GLN A 48 -4.712 -0.004 7.902 1.00 45.13 C ATOM 667 O GLN A 48 -5.231 -1.118 7.838 1.00 33.44 O ATOM 668 CB GLN A 48 -5.437 1.247 9.943 1.00 51.11 C ATOM 669 CG GLN A 48 -5.027 2.096 11.136 1.00 11.32 C ATOM 670 CD GLN A 48 -4.467 1.269 12.277 1.00 0.34 C ATOM 671 OE1 GLN A 48 -4.745 0.074 12.387 1.00 21.40 O ATOM 672 NE2 GLN A 48 -3.672 1.901 13.132 1.00 14.21 N ATOM 0 H GLN A 48 -3.444 2.408 8.645 1.00 32.13 H new ATOM 0 HA GLN A 48 -3.896 -0.249 9.861 1.00 62.50 H new ATOM 0 HB2 GLN A 48 -5.966 1.875 9.226 1.00 51.11 H new ATOM 0 HB3 GLN A 48 -6.139 0.482 10.276 1.00 51.11 H new ATOM 0 HG2 GLN A 48 -4.280 2.824 10.819 1.00 11.32 H new ATOM 0 HG3 GLN A 48 -5.891 2.659 11.490 1.00 11.32 H new ATOM 0 HE21 GLN A 48 -3.469 2.892 13.002 1.00 14.21 H new ATOM 0 HE22 GLN A 48 -3.264 1.395 13.919 1.00 14.21 H new ATOM 679 N GLN A 49 -4.512 0.764 6.836 1.00 31.33 N ATOM 680 CA GLN A 49 -4.902 0.332 5.499 1.00 41.42 C ATOM 681 C GLN A 49 -3.795 -0.495 4.850 1.00 75.31 C ATOM 682 O GLN A 49 -2.649 -0.475 5.298 1.00 64.13 O ATOM 683 CB GLN A 49 -5.230 1.542 4.623 1.00 70.15 C ATOM 684 CG GLN A 49 -4.055 2.027 3.790 1.00 4.13 C ATOM 685 CD GLN A 49 -4.303 3.388 3.168 1.00 52.04 C ATOM 686 OE1 GLN A 49 -5.506 3.589 2.644 1.00 12.14 O flip ATOM 687 NE2 GLN A 49 -3.422 4.248 3.159 1.00 73.13 N flip ATOM 0 H GLN A 49 -4.082 1.688 6.872 1.00 31.33 H new ATOM 0 HA GLN A 49 -5.791 -0.292 5.592 1.00 41.42 H new ATOM 0 HB2 GLN A 49 -6.055 1.286 3.958 1.00 70.15 H new ATOM 0 HB3 GLN A 49 -5.575 2.357 5.259 1.00 70.15 H new ATOM 0 HG2 GLN A 49 -3.165 2.075 4.417 1.00 4.13 H new ATOM 0 HG3 GLN A 49 -3.850 1.303 3.001 1.00 4.13 H new ATOM 0 HE21 GLN A 49 -2.511 4.050 3.574 1.00 73.13 H new ATOM 0 HE22 GLN A 49 -3.603 5.159 2.737 1.00 73.13 H new ATOM 694 N ARG A 50 -4.148 -1.220 3.794 1.00 45.44 N ATOM 695 CA ARG A 50 -3.184 -2.054 3.085 1.00 14.12 C ATOM 696 C ARG A 50 -2.939 -1.523 1.676 1.00 41.10 C ATOM 697 O ARG A 50 -3.440 -0.461 1.305 1.00 62.45 O ATOM 698 CB ARG A 50 -3.684 -3.499 3.016 1.00 64.44 C ATOM 699 CG ARG A 50 -5.039 -3.645 2.344 1.00 41.03 C ATOM 700 CD ARG A 50 -6.051 -4.303 3.269 1.00 44.41 C ATOM 701 NE ARG A 50 -6.945 -5.204 2.547 1.00 51.01 N ATOM 702 CZ ARG A 50 -8.081 -5.672 3.053 1.00 10.10 C ATOM 703 NH1 ARG A 50 -8.459 -5.325 4.276 1.00 42.30 N ATOM 704 NH2 ARG A 50 -8.842 -6.488 2.335 1.00 24.13 N ATOM 0 H ARG A 50 -5.093 -1.247 3.411 1.00 45.44 H new ATOM 0 HA ARG A 50 -2.243 -2.026 3.634 1.00 14.12 H new ATOM 0 HB2 ARG A 50 -2.954 -4.101 2.476 1.00 64.44 H new ATOM 0 HB3 ARG A 50 -3.744 -3.902 4.027 1.00 64.44 H new ATOM 0 HG2 ARG A 50 -5.404 -2.663 2.042 1.00 41.03 H new ATOM 0 HG3 ARG A 50 -4.934 -4.239 1.436 1.00 41.03 H new ATOM 0 HD2 ARG A 50 -5.525 -4.859 4.045 1.00 44.41 H new ATOM 0 HD3 ARG A 50 -6.638 -3.534 3.770 1.00 44.41 H new ATOM 0 HE ARG A 50 -6.683 -5.489 1.603 1.00 51.01 H new ATOM 0 HH11 ARG A 50 -7.877 -4.697 4.831 1.00 42.30 H new ATOM 0 HH12 ARG A 50 -9.332 -5.686 4.662 1.00 42.30 H new ATOM 0 HH21 ARG A 50 -8.555 -6.757 1.394 1.00 24.13 H new ATOM 0 HH22 ARG A 50 -9.714 -6.847 2.724 1.00 24.13 H new ATOM 715 N LEU A 51 -2.164 -2.267 0.896 1.00 45.43 N ATOM 716 CA LEU A 51 -1.849 -1.871 -0.473 1.00 12.22 C ATOM 717 C LEU A 51 -2.163 -2.998 -1.451 1.00 13.43 C ATOM 718 O LEU A 51 -1.808 -4.154 -1.217 1.00 1.35 O ATOM 719 CB LEU A 51 -0.375 -1.478 -0.585 1.00 14.52 C ATOM 720 CG LEU A 51 0.039 -0.791 -1.888 1.00 32.55 C ATOM 721 CD1 LEU A 51 -0.304 0.690 -1.841 1.00 5.23 C ATOM 722 CD2 LEU A 51 1.525 -0.989 -2.146 1.00 15.12 C ATOM 0 H LEU A 51 -1.741 -3.148 1.187 1.00 45.43 H new ATOM 0 HA LEU A 51 -2.468 -1.011 -0.728 1.00 12.22 H new ATOM 0 HB2 LEU A 51 -0.132 -0.815 0.245 1.00 14.52 H new ATOM 0 HB3 LEU A 51 0.230 -2.376 -0.463 1.00 14.52 H new ATOM 0 HG LEU A 51 -0.515 -1.246 -2.709 1.00 32.55 H new ATOM 0 HD11 LEU A 51 -0.003 1.163 -2.776 1.00 5.23 H new ATOM 0 HD12 LEU A 51 -1.379 0.810 -1.703 1.00 5.23 H new ATOM 0 HD13 LEU A 51 0.223 1.159 -1.010 1.00 5.23 H new ATOM 0 HD21 LEU A 51 1.802 -0.494 -3.077 1.00 15.12 H new ATOM 0 HD22 LEU A 51 2.097 -0.561 -1.323 1.00 15.12 H new ATOM 0 HD23 LEU A 51 1.742 -2.054 -2.223 1.00 15.12 H new ATOM 733 N ILE A 52 -2.829 -2.654 -2.549 1.00 73.33 N ATOM 734 CA ILE A 52 -3.187 -3.637 -3.564 1.00 32.44 C ATOM 735 C ILE A 52 -2.673 -3.219 -4.938 1.00 11.33 C ATOM 736 O ILE A 52 -3.068 -2.182 -5.472 1.00 73.42 O ATOM 737 CB ILE A 52 -4.712 -3.839 -3.638 1.00 11.33 C ATOM 738 CG1 ILE A 52 -5.187 -4.726 -2.486 1.00 42.20 C ATOM 739 CG2 ILE A 52 -5.101 -4.447 -4.978 1.00 30.12 C ATOM 740 CD1 ILE A 52 -5.049 -4.076 -1.127 1.00 42.23 C ATOM 0 H ILE A 52 -3.131 -1.702 -2.758 1.00 73.33 H new ATOM 0 HA ILE A 52 -2.718 -4.577 -3.274 1.00 32.44 H new ATOM 0 HB ILE A 52 -5.198 -2.867 -3.547 1.00 11.33 H new ATOM 0 HG12 ILE A 52 -6.232 -4.991 -2.649 1.00 42.20 H new ATOM 0 HG13 ILE A 52 -4.618 -5.655 -2.495 1.00 42.20 H new ATOM 0 HG21 ILE A 52 -6.182 -4.584 -5.015 1.00 30.12 H new ATOM 0 HG22 ILE A 52 -4.791 -3.781 -5.783 1.00 30.12 H new ATOM 0 HG23 ILE A 52 -4.609 -5.412 -5.096 1.00 30.12 H new ATOM 0 HD11 ILE A 52 -5.405 -4.762 -0.358 1.00 42.23 H new ATOM 0 HD12 ILE A 52 -4.002 -3.836 -0.943 1.00 42.23 H new ATOM 0 HD13 ILE A 52 -5.641 -3.161 -1.099 1.00 42.23 H new ATOM 751 N PHE A 53 -1.792 -4.035 -5.507 1.00 35.22 N ATOM 752 CA PHE A 53 -1.225 -3.751 -6.820 1.00 62.22 C ATOM 753 C PHE A 53 -1.417 -4.935 -7.763 1.00 2.51 C ATOM 754 O PHE A 53 -0.900 -6.026 -7.520 1.00 24.02 O ATOM 755 CB PHE A 53 0.264 -3.420 -6.695 1.00 3.13 C ATOM 756 CG PHE A 53 1.008 -3.501 -7.998 1.00 11.14 C ATOM 757 CD1 PHE A 53 0.528 -2.853 -9.125 1.00 44.11 C ATOM 758 CD2 PHE A 53 2.186 -4.223 -8.094 1.00 5.54 C ATOM 759 CE1 PHE A 53 1.209 -2.926 -10.325 1.00 42.42 C ATOM 760 CE2 PHE A 53 2.872 -4.299 -9.292 1.00 1.13 C ATOM 761 CZ PHE A 53 2.384 -3.650 -10.408 1.00 3.14 C ATOM 0 H PHE A 53 -1.455 -4.898 -5.080 1.00 35.22 H new ATOM 0 HA PHE A 53 -1.748 -2.890 -7.236 1.00 62.22 H new ATOM 0 HB2 PHE A 53 0.372 -2.415 -6.286 1.00 3.13 H new ATOM 0 HB3 PHE A 53 0.722 -4.105 -5.981 1.00 3.13 H new ATOM 0 HD1 PHE A 53 -0.388 -2.285 -9.065 1.00 44.11 H new ATOM 0 HD2 PHE A 53 2.573 -4.732 -7.224 1.00 5.54 H new ATOM 0 HE1 PHE A 53 0.824 -2.418 -11.197 1.00 42.42 H new ATOM 0 HE2 PHE A 53 3.789 -4.866 -9.354 1.00 1.13 H new ATOM 0 HZ PHE A 53 2.919 -3.708 -11.344 1.00 3.14 H new ATOM 770 N ALA A 54 -2.164 -4.712 -8.840 1.00 73.44 N ATOM 771 CA ALA A 54 -2.424 -5.758 -9.820 1.00 50.24 C ATOM 772 C ALA A 54 -3.127 -6.949 -9.177 1.00 51.42 C ATOM 773 O ALA A 54 -2.939 -8.092 -9.593 1.00 0.42 O ATOM 774 CB ALA A 54 -1.124 -6.202 -10.475 1.00 23.23 C ATOM 0 H ALA A 54 -2.600 -3.815 -9.055 1.00 73.44 H new ATOM 0 HA ALA A 54 -3.083 -5.349 -10.586 1.00 50.24 H new ATOM 0 HB1 ALA A 54 -1.333 -6.984 -11.205 1.00 23.23 H new ATOM 0 HB2 ALA A 54 -0.660 -5.352 -10.976 1.00 23.23 H new ATOM 0 HB3 ALA A 54 -0.446 -6.588 -9.714 1.00 23.23 H new ATOM 780 N GLY A 55 -3.939 -6.674 -8.160 1.00 2.32 N ATOM 781 CA GLY A 55 -4.658 -7.734 -7.477 1.00 4.04 C ATOM 782 C GLY A 55 -3.836 -8.377 -6.377 1.00 5.13 C ATOM 783 O GLY A 55 -4.343 -9.192 -5.609 1.00 74.23 O ATOM 0 H GLY A 55 -4.112 -5.736 -7.797 1.00 2.32 H new ATOM 0 HA2 GLY A 55 -5.576 -7.330 -7.051 1.00 4.04 H new ATOM 0 HA3 GLY A 55 -4.950 -8.495 -8.200 1.00 4.04 H new ATOM 787 N LYS A 56 -2.561 -8.009 -6.303 1.00 45.22 N ATOM 788 CA LYS A 56 -1.665 -8.555 -5.290 1.00 45.43 C ATOM 789 C LYS A 56 -1.519 -7.592 -4.117 1.00 34.25 C ATOM 790 O LYS A 56 -1.181 -6.423 -4.301 1.00 31.41 O ATOM 791 CB LYS A 56 -0.291 -8.846 -5.898 1.00 1.12 C ATOM 792 CG LYS A 56 0.592 -9.713 -5.018 1.00 4.20 C ATOM 793 CD LYS A 56 2.065 -9.412 -5.238 1.00 62.43 C ATOM 794 CE LYS A 56 2.547 -9.932 -6.583 1.00 43.33 C ATOM 795 NZ LYS A 56 2.238 -8.983 -7.688 1.00 22.23 N ATOM 0 H LYS A 56 -2.125 -7.335 -6.932 1.00 45.22 H new ATOM 0 HA LYS A 56 -2.097 -9.485 -4.922 1.00 45.43 H new ATOM 0 HB2 LYS A 56 -0.426 -9.339 -6.861 1.00 1.12 H new ATOM 0 HB3 LYS A 56 0.219 -7.902 -6.092 1.00 1.12 H new ATOM 0 HG2 LYS A 56 0.338 -9.548 -3.971 1.00 4.20 H new ATOM 0 HG3 LYS A 56 0.399 -10.764 -5.231 1.00 4.20 H new ATOM 0 HD2 LYS A 56 2.229 -8.336 -5.183 1.00 62.43 H new ATOM 0 HD3 LYS A 56 2.653 -9.865 -4.440 1.00 62.43 H new ATOM 0 HE2 LYS A 56 3.623 -10.103 -6.542 1.00 43.33 H new ATOM 0 HE3 LYS A 56 2.079 -10.894 -6.789 1.00 43.33 H new ATOM 0 HZ1 LYS A 56 3.047 -8.934 -8.340 1.00 22.23 H new ATOM 0 HZ2 LYS A 56 1.397 -9.313 -8.204 1.00 22.23 H new ATOM 0 HZ3 LYS A 56 2.053 -8.039 -7.293 1.00 22.23 H new ATOM 805 N GLN A 57 -1.776 -8.092 -2.912 1.00 24.42 N ATOM 806 CA GLN A 57 -1.671 -7.274 -1.709 1.00 32.04 C ATOM 807 C GLN A 57 -0.222 -7.169 -1.246 1.00 21.11 C ATOM 808 O GLN A 57 0.544 -8.128 -1.346 1.00 32.23 O ATOM 809 CB GLN A 57 -2.535 -7.862 -0.591 1.00 10.15 C ATOM 810 CG GLN A 57 -1.889 -9.041 0.120 1.00 32.35 C ATOM 811 CD GLN A 57 -2.886 -10.128 0.469 1.00 41.01 C ATOM 812 OE1 GLN A 57 -3.818 -10.399 -0.290 1.00 71.33 O ATOM 813 NE2 GLN A 57 -2.695 -10.759 1.621 1.00 43.00 N ATOM 0 H GLN A 57 -2.058 -9.058 -2.743 1.00 24.42 H new ATOM 0 HA GLN A 57 -2.030 -6.273 -1.948 1.00 32.04 H new ATOM 0 HB2 GLN A 57 -2.751 -7.082 0.139 1.00 10.15 H new ATOM 0 HB3 GLN A 57 -3.490 -8.180 -1.010 1.00 10.15 H new ATOM 0 HG2 GLN A 57 -1.108 -9.460 -0.514 1.00 32.35 H new ATOM 0 HG3 GLN A 57 -1.405 -8.690 1.032 1.00 32.35 H new ATOM 0 HE21 GLN A 57 -1.910 -10.502 2.219 1.00 43.00 H new ATOM 0 HE22 GLN A 57 -3.334 -11.501 1.908 1.00 43.00 H new ATOM 820 N LEU A 58 0.147 -5.998 -0.738 1.00 3.54 N ATOM 821 CA LEU A 58 1.506 -5.766 -0.260 1.00 64.21 C ATOM 822 C LEU A 58 1.503 -4.868 0.973 1.00 73.14 C ATOM 823 O LEU A 58 0.454 -4.612 1.563 1.00 75.32 O ATOM 824 CB LEU A 58 2.356 -5.134 -1.363 1.00 22.41 C ATOM 825 CG LEU A 58 2.305 -5.823 -2.727 1.00 63.03 C ATOM 826 CD1 LEU A 58 1.305 -5.129 -3.639 1.00 74.44 C ATOM 827 CD2 LEU A 58 3.686 -5.843 -3.367 1.00 72.34 C ATOM 0 H LEU A 58 -0.475 -5.195 -0.646 1.00 3.54 H new ATOM 0 HA LEU A 58 1.937 -6.729 0.015 1.00 64.21 H new ATOM 0 HB2 LEU A 58 2.040 -4.098 -1.489 1.00 22.41 H new ATOM 0 HB3 LEU A 58 3.393 -5.112 -1.028 1.00 22.41 H new ATOM 0 HG LEU A 58 1.979 -6.853 -2.580 1.00 63.03 H new ATOM 0 HD11 LEU A 58 1.283 -5.633 -4.605 1.00 74.44 H new ATOM 0 HD12 LEU A 58 0.314 -5.166 -3.187 1.00 74.44 H new ATOM 0 HD13 LEU A 58 1.601 -4.089 -3.779 1.00 74.44 H new ATOM 0 HD21 LEU A 58 3.630 -6.337 -4.337 1.00 72.34 H new ATOM 0 HD22 LEU A 58 4.040 -4.821 -3.500 1.00 72.34 H new ATOM 0 HD23 LEU A 58 4.378 -6.385 -2.723 1.00 72.34 H new ATOM 890 N THR A 63 10.299 1.935 -1.314 1.00 13.42 N ATOM 891 CA THR A 63 9.746 2.643 -2.462 1.00 72.31 C ATOM 892 C THR A 63 9.378 1.675 -3.580 1.00 20.14 C ATOM 893 O THR A 63 9.576 0.465 -3.459 1.00 35.23 O ATOM 894 CB THR A 63 10.738 3.688 -3.008 1.00 34.23 C ATOM 895 OG1 THR A 63 11.798 3.035 -3.716 1.00 31.31 O ATOM 896 CG2 THR A 63 11.317 4.527 -1.879 1.00 34.11 C ATOM 0 HA THR A 63 8.847 3.152 -2.116 1.00 72.31 H new ATOM 0 HB THR A 63 10.199 4.347 -3.689 1.00 34.23 H new ATOM 0 HG1 THR A 63 11.926 3.468 -4.586 1.00 31.31 H new ATOM 0 HG21 THR A 63 12.014 5.257 -2.289 1.00 34.11 H new ATOM 0 HG22 THR A 63 10.511 5.046 -1.361 1.00 34.11 H new ATOM 0 HG23 THR A 63 11.842 3.879 -1.176 1.00 34.11 H new ATOM 904 N LEU A 64 8.843 2.214 -4.670 1.00 25.11 N ATOM 905 CA LEU A 64 8.448 1.397 -5.812 1.00 1.31 C ATOM 906 C LEU A 64 9.671 0.837 -6.531 1.00 42.10 C ATOM 907 O LEU A 64 9.649 -0.287 -7.033 1.00 1.03 O ATOM 908 CB LEU A 64 7.604 2.221 -6.786 1.00 12.22 C ATOM 909 CG LEU A 64 6.629 3.216 -6.154 1.00 63.35 C ATOM 910 CD1 LEU A 64 5.774 3.879 -7.223 1.00 43.25 C ATOM 911 CD2 LEU A 64 5.754 2.523 -5.121 1.00 51.35 C ATOM 0 H LEU A 64 8.673 3.213 -4.787 1.00 25.11 H new ATOM 0 HA LEU A 64 7.854 0.562 -5.441 1.00 1.31 H new ATOM 0 HB2 LEU A 64 8.277 2.771 -7.444 1.00 12.22 H new ATOM 0 HB3 LEU A 64 7.036 1.535 -7.413 1.00 12.22 H new ATOM 0 HG LEU A 64 7.207 3.990 -5.649 1.00 63.35 H new ATOM 0 HD11 LEU A 64 5.087 4.583 -6.754 1.00 43.25 H new ATOM 0 HD12 LEU A 64 6.416 4.411 -7.924 1.00 43.25 H new ATOM 0 HD13 LEU A 64 5.205 3.118 -7.758 1.00 43.25 H new ATOM 0 HD21 LEU A 64 5.067 3.246 -4.682 1.00 51.35 H new ATOM 0 HD22 LEU A 64 5.185 1.727 -5.601 1.00 51.35 H new ATOM 0 HD23 LEU A 64 6.382 2.098 -4.338 1.00 51.35 H new ATOM 922 N SER A 65 10.740 1.628 -6.575 1.00 75.50 N ATOM 923 CA SER A 65 11.972 1.211 -7.233 1.00 31.42 C ATOM 924 C SER A 65 12.649 0.086 -6.456 1.00 20.41 C ATOM 925 O SER A 65 13.289 -0.787 -7.040 1.00 2.52 O ATOM 926 CB SER A 65 12.928 2.399 -7.370 1.00 34.44 C ATOM 927 OG SER A 65 14.096 2.033 -8.082 1.00 64.43 O ATOM 0 H SER A 65 10.777 2.560 -6.163 1.00 75.50 H new ATOM 0 HA SER A 65 11.718 0.841 -8.226 1.00 31.42 H new ATOM 0 HB2 SER A 65 12.425 3.217 -7.886 1.00 34.44 H new ATOM 0 HB3 SER A 65 13.201 2.766 -6.381 1.00 34.44 H new ATOM 0 HG SER A 65 14.690 2.809 -8.157 1.00 64.43 H new ATOM 932 N GLU A 66 12.503 0.116 -5.136 1.00 73.23 N ATOM 933 CA GLU A 66 13.101 -0.901 -4.278 1.00 50.23 C ATOM 934 C GLU A 66 12.332 -2.216 -4.377 1.00 42.23 C ATOM 935 O GLU A 66 12.922 -3.296 -4.333 1.00 3.43 O ATOM 936 CB GLU A 66 13.131 -0.422 -2.825 1.00 2.21 C ATOM 937 CG GLU A 66 14.133 0.691 -2.572 1.00 1.24 C ATOM 938 CD GLU A 66 14.668 0.683 -1.153 1.00 11.23 C ATOM 939 OE1 GLU A 66 15.204 -0.361 -0.727 1.00 4.13 O ATOM 940 OE2 GLU A 66 14.551 1.721 -0.470 1.00 34.31 O ATOM 0 H GLU A 66 11.976 0.833 -4.637 1.00 73.23 H new ATOM 0 HA GLU A 66 14.123 -1.071 -4.617 1.00 50.23 H new ATOM 0 HB2 GLU A 66 12.136 -0.075 -2.545 1.00 2.21 H new ATOM 0 HB3 GLU A 66 13.368 -1.266 -2.178 1.00 2.21 H new ATOM 0 HG2 GLU A 66 14.964 0.592 -3.270 1.00 1.24 H new ATOM 0 HG3 GLU A 66 13.661 1.653 -2.773 1.00 1.24 H new ATOM 945 N TYR A 67 11.015 -2.115 -4.508 1.00 14.40 N ATOM 946 CA TYR A 67 10.165 -3.296 -4.609 1.00 72.34 C ATOM 947 C TYR A 67 10.041 -3.756 -6.059 1.00 21.42 C ATOM 948 O TYR A 67 9.474 -4.810 -6.340 1.00 44.34 O ATOM 949 CB TYR A 67 8.778 -3.002 -4.035 1.00 22.34 C ATOM 950 CG TYR A 67 8.565 -3.562 -2.646 1.00 45.41 C ATOM 951 CD1 TYR A 67 9.547 -3.442 -1.670 1.00 35.52 C ATOM 952 CD2 TYR A 67 7.384 -4.211 -2.311 1.00 52.24 C ATOM 953 CE1 TYR A 67 9.357 -3.953 -0.400 1.00 24.11 C ATOM 954 CE2 TYR A 67 7.185 -4.724 -1.044 1.00 61.14 C ATOM 955 CZ TYR A 67 8.175 -4.592 -0.093 1.00 73.43 C ATOM 956 OH TYR A 67 7.982 -5.102 1.172 1.00 24.31 O ATOM 0 H TYR A 67 10.512 -1.228 -4.547 1.00 14.40 H new ATOM 0 HA TYR A 67 10.628 -4.096 -4.032 1.00 72.34 H new ATOM 0 HB2 TYR A 67 8.626 -1.923 -4.010 1.00 22.34 H new ATOM 0 HB3 TYR A 67 8.023 -3.415 -4.704 1.00 22.34 H new ATOM 0 HD1 TYR A 67 10.474 -2.941 -1.908 1.00 35.52 H new ATOM 0 HD2 TYR A 67 6.607 -4.317 -3.054 1.00 52.24 H new ATOM 0 HE1 TYR A 67 10.130 -3.852 0.347 1.00 24.11 H new ATOM 0 HE2 TYR A 67 6.260 -5.225 -0.800 1.00 61.14 H new ATOM 0 HH TYR A 67 7.097 -5.520 1.225 1.00 24.31 H new ATOM 965 N ASN A 68 10.575 -2.954 -6.974 1.00 63.24 N ATOM 966 CA ASN A 68 10.526 -3.278 -8.395 1.00 32.45 C ATOM 967 C ASN A 68 9.087 -3.500 -8.853 1.00 64.32 C ATOM 968 O ASN A 68 8.819 -4.358 -9.693 1.00 3.24 O ATOM 969 CB ASN A 68 11.364 -4.524 -8.686 1.00 63.13 C ATOM 970 CG ASN A 68 12.851 -4.270 -8.529 1.00 35.53 C ATOM 971 OD1 ASN A 68 13.336 -3.169 -8.790 1.00 35.12 O ATOM 972 ND2 ASN A 68 13.583 -5.291 -8.100 1.00 54.24 N ATOM 0 H ASN A 68 11.046 -2.076 -6.757 1.00 63.24 H new ATOM 0 HA ASN A 68 10.939 -2.435 -8.948 1.00 32.45 H new ATOM 0 HB2 ASN A 68 11.062 -5.327 -8.013 1.00 63.13 H new ATOM 0 HB3 ASN A 68 11.162 -4.866 -9.701 1.00 63.13 H new ATOM 0 HD21 ASN A 68 14.589 -5.180 -7.975 1.00 54.24 H new ATOM 0 HD22 ASN A 68 13.139 -6.186 -7.896 1.00 54.24 H new ATOM 978 N ILE A 69 8.168 -2.722 -8.293 1.00 15.21 N ATOM 979 CA ILE A 69 6.757 -2.833 -8.644 1.00 10.21 C ATOM 980 C ILE A 69 6.315 -1.667 -9.522 1.00 53.54 C ATOM 981 O ILE A 69 6.896 -0.584 -9.470 1.00 64.43 O ATOM 982 CB ILE A 69 5.866 -2.882 -7.388 1.00 61.11 C ATOM 983 CG1 ILE A 69 6.220 -1.733 -6.441 1.00 14.25 C ATOM 984 CG2 ILE A 69 6.016 -4.222 -6.684 1.00 41.24 C ATOM 985 CD1 ILE A 69 5.272 -1.604 -5.270 1.00 34.32 C ATOM 0 H ILE A 69 8.374 -2.008 -7.594 1.00 15.21 H new ATOM 0 HA ILE A 69 6.642 -3.765 -9.197 1.00 10.21 H new ATOM 0 HB ILE A 69 4.826 -2.769 -7.693 1.00 61.11 H new ATOM 0 HG12 ILE A 69 7.232 -1.881 -6.065 1.00 14.25 H new ATOM 0 HG13 ILE A 69 6.222 -0.798 -7.001 1.00 14.25 H new ATOM 0 HG21 ILE A 69 5.380 -4.241 -5.799 1.00 41.24 H new ATOM 0 HG22 ILE A 69 5.720 -5.024 -7.361 1.00 41.24 H new ATOM 0 HG23 ILE A 69 7.055 -4.363 -6.387 1.00 41.24 H new ATOM 0 HD11 ILE A 69 5.583 -0.770 -4.641 1.00 34.32 H new ATOM 0 HD12 ILE A 69 4.262 -1.424 -5.638 1.00 34.32 H new ATOM 0 HD13 ILE A 69 5.287 -2.524 -4.686 1.00 34.32 H new ATOM 996 N GLN A 70 5.282 -1.897 -10.326 1.00 64.02 N ATOM 997 CA GLN A 70 4.763 -0.866 -11.215 1.00 34.44 C ATOM 998 C GLN A 70 3.642 -0.080 -10.541 1.00 72.35 C ATOM 999 O GLN A 70 2.606 0.192 -11.149 1.00 63.35 O ATOM 1000 CB GLN A 70 4.253 -1.491 -12.514 1.00 31.54 C ATOM 1001 CG GLN A 70 5.229 -2.472 -13.142 1.00 64.10 C ATOM 1002 CD GLN A 70 4.661 -3.158 -14.368 1.00 20.10 C ATOM 1003 OE1 GLN A 70 4.288 -2.503 -15.343 1.00 73.03 O ATOM 1004 NE2 GLN A 70 4.593 -4.483 -14.327 1.00 0.31 N ATOM 0 H GLN A 70 4.789 -2.788 -10.380 1.00 64.02 H new ATOM 0 HA GLN A 70 5.577 -0.179 -11.446 1.00 34.44 H new ATOM 0 HB2 GLN A 70 3.312 -2.004 -12.315 1.00 31.54 H new ATOM 0 HB3 GLN A 70 4.038 -0.697 -13.229 1.00 31.54 H new ATOM 0 HG2 GLN A 70 6.142 -1.944 -13.416 1.00 64.10 H new ATOM 0 HG3 GLN A 70 5.506 -3.225 -12.405 1.00 64.10 H new ATOM 0 HE21 GLN A 70 4.913 -4.985 -13.499 1.00 0.31 H new ATOM 0 HE22 GLN A 70 4.220 -4.999 -15.124 1.00 0.31 H new ATOM 1011 N LYS A 71 3.854 0.279 -9.279 1.00 23.44 N ATOM 1012 CA LYS A 71 2.863 1.034 -8.521 1.00 51.42 C ATOM 1013 C LYS A 71 2.513 2.338 -9.230 1.00 14.54 C ATOM 1014 O LYS A 71 1.435 2.895 -9.025 1.00 15.11 O ATOM 1015 CB LYS A 71 3.386 1.332 -7.114 1.00 64.02 C ATOM 1016 CG LYS A 71 2.586 2.395 -6.380 1.00 45.34 C ATOM 1017 CD LYS A 71 2.492 2.094 -4.894 1.00 14.21 C ATOM 1018 CE LYS A 71 2.412 3.371 -4.071 1.00 13.03 C ATOM 1019 NZ LYS A 71 1.253 3.355 -3.134 1.00 23.23 N ATOM 0 H LYS A 71 4.704 0.059 -8.759 1.00 23.44 H new ATOM 0 HA LYS A 71 1.960 0.427 -8.447 1.00 51.42 H new ATOM 0 HB2 LYS A 71 3.375 0.412 -6.529 1.00 64.02 H new ATOM 0 HB3 LYS A 71 4.425 1.654 -7.182 1.00 64.02 H new ATOM 0 HG2 LYS A 71 3.053 3.369 -6.526 1.00 45.34 H new ATOM 0 HG3 LYS A 71 1.584 2.455 -6.804 1.00 45.34 H new ATOM 0 HD2 LYS A 71 1.613 1.480 -4.701 1.00 14.21 H new ATOM 0 HD3 LYS A 71 3.361 1.513 -4.584 1.00 14.21 H new ATOM 0 HE2 LYS A 71 3.335 3.497 -3.505 1.00 13.03 H new ATOM 0 HE3 LYS A 71 2.328 4.229 -4.738 1.00 13.03 H new ATOM 0 HZ1 LYS A 71 1.193 4.268 -2.640 1.00 23.23 H new ATOM 0 HZ2 LYS A 71 0.376 3.192 -3.669 1.00 23.23 H new ATOM 0 HZ3 LYS A 71 1.380 2.593 -2.438 1.00 23.23 H new ATOM 1029 N GLU A 72 3.428 2.817 -10.067 1.00 73.34 N ATOM 1030 CA GLU A 72 3.213 4.055 -10.807 1.00 73.24 C ATOM 1031 C GLU A 72 2.283 3.824 -11.995 1.00 51.24 C ATOM 1032 O GLU A 72 2.655 4.066 -13.143 1.00 33.24 O ATOM 1033 CB GLU A 72 4.548 4.622 -11.293 1.00 61.51 C ATOM 1034 CG GLU A 72 4.495 6.106 -11.620 1.00 41.11 C ATOM 1035 CD GLU A 72 5.395 6.479 -12.782 1.00 3.21 C ATOM 1036 OE1 GLU A 72 6.592 6.127 -12.741 1.00 42.34 O ATOM 1037 OE2 GLU A 72 4.902 7.122 -13.732 1.00 3.41 O ATOM 0 H GLU A 72 4.325 2.367 -10.249 1.00 73.34 H new ATOM 0 HA GLU A 72 2.744 4.774 -10.135 1.00 73.24 H new ATOM 0 HB2 GLU A 72 5.305 4.454 -10.527 1.00 61.51 H new ATOM 0 HB3 GLU A 72 4.865 4.074 -12.180 1.00 61.51 H new ATOM 0 HG2 GLU A 72 3.468 6.386 -11.856 1.00 41.11 H new ATOM 0 HG3 GLU A 72 4.787 6.679 -10.740 1.00 41.11 H new ATOM 1042 N SER A 73 1.074 3.352 -11.710 1.00 51.03 N ATOM 1043 CA SER A 73 0.092 3.084 -12.754 1.00 74.02 C ATOM 1044 C SER A 73 -1.316 3.019 -12.172 1.00 74.31 C ATOM 1045 O SER A 73 -2.072 3.989 -12.232 1.00 31.34 O ATOM 1046 CB SER A 73 0.422 1.771 -13.468 1.00 11.23 C ATOM 1047 OG SER A 73 -0.693 1.298 -14.205 1.00 50.23 O ATOM 0 H SER A 73 0.751 3.147 -10.765 1.00 51.03 H new ATOM 0 HA SER A 73 0.131 3.901 -13.474 1.00 74.02 H new ATOM 0 HB2 SER A 73 1.268 1.920 -14.138 1.00 11.23 H new ATOM 0 HB3 SER A 73 0.723 1.021 -12.737 1.00 11.23 H new ATOM 0 HG SER A 73 -0.457 0.459 -14.653 1.00 50.23 H new ATOM 1052 N THR A 74 -1.664 1.867 -11.606 1.00 13.32 N ATOM 1053 CA THR A 74 -2.981 1.673 -11.013 1.00 15.15 C ATOM 1054 C THR A 74 -2.879 0.975 -9.662 1.00 40.13 C ATOM 1055 O THR A 74 -2.556 -0.211 -9.587 1.00 53.30 O ATOM 1056 CB THR A 74 -3.897 0.848 -11.937 1.00 52.43 C ATOM 1057 OG1 THR A 74 -3.313 0.744 -13.240 1.00 73.23 O ATOM 1058 CG2 THR A 74 -5.275 1.483 -12.042 1.00 30.12 C ATOM 0 H THR A 74 -1.051 1.054 -11.546 1.00 13.32 H new ATOM 0 HA THR A 74 -3.414 2.664 -10.875 1.00 15.15 H new ATOM 0 HB THR A 74 -4.006 -0.148 -11.508 1.00 52.43 H new ATOM 0 HG1 THR A 74 -3.901 0.217 -13.821 1.00 73.23 H new ATOM 0 HG21 THR A 74 -5.903 0.882 -12.700 1.00 30.12 H new ATOM 0 HG22 THR A 74 -5.729 1.533 -11.052 1.00 30.12 H new ATOM 0 HG23 THR A 74 -5.182 2.490 -12.449 1.00 30.12 H new ATOM 1066 N LEU A 75 -3.155 1.717 -8.595 1.00 30.20 N ATOM 1067 CA LEU A 75 -3.095 1.169 -7.245 1.00 42.51 C ATOM 1068 C LEU A 75 -4.355 1.517 -6.459 1.00 22.31 C ATOM 1069 O LEU A 75 -4.933 2.590 -6.637 1.00 12.10 O ATOM 1070 CB LEU A 75 -1.861 1.698 -6.513 1.00 45.44 C ATOM 1071 CG LEU A 75 -0.725 0.695 -6.300 1.00 40.21 C ATOM 1072 CD1 LEU A 75 -1.028 -0.210 -5.116 1.00 5.11 C ATOM 1073 CD2 LEU A 75 -0.498 -0.129 -7.560 1.00 51.03 C ATOM 0 H LEU A 75 -3.423 2.700 -8.639 1.00 30.20 H new ATOM 0 HA LEU A 75 -3.026 0.084 -7.323 1.00 42.51 H new ATOM 0 HB2 LEU A 75 -1.469 2.548 -7.071 1.00 45.44 H new ATOM 0 HB3 LEU A 75 -2.174 2.074 -5.539 1.00 45.44 H new ATOM 0 HG LEU A 75 0.188 1.249 -6.083 1.00 40.21 H new ATOM 0 HD11 LEU A 75 -0.209 -0.917 -4.979 1.00 5.11 H new ATOM 0 HD12 LEU A 75 -1.140 0.394 -4.216 1.00 5.11 H new ATOM 0 HD13 LEU A 75 -1.952 -0.757 -5.303 1.00 5.11 H new ATOM 0 HD21 LEU A 75 0.313 -0.837 -7.391 1.00 51.03 H new ATOM 0 HD22 LEU A 75 -1.409 -0.674 -7.808 1.00 51.03 H new ATOM 0 HD23 LEU A 75 -0.235 0.533 -8.385 1.00 51.03 H new ATOM 1084 N HIS A 76 -4.773 0.606 -5.586 1.00 25.15 N ATOM 1085 CA HIS A 76 -5.963 0.819 -4.770 1.00 44.30 C ATOM 1086 C HIS A 76 -5.701 0.431 -3.318 1.00 32.41 C ATOM 1087 O HIS A 76 -5.605 -0.752 -2.987 1.00 24.25 O ATOM 1088 CB HIS A 76 -7.137 0.010 -5.322 1.00 34.03 C ATOM 1089 CG HIS A 76 -7.010 -0.311 -6.779 1.00 51.53 C ATOM 1090 ND1 HIS A 76 -7.207 0.621 -7.776 1.00 45.32 N ATOM 1091 CD2 HIS A 76 -6.703 -1.471 -7.407 1.00 70.11 C ATOM 1092 CE1 HIS A 76 -7.027 0.049 -8.953 1.00 12.21 C ATOM 1093 NE2 HIS A 76 -6.720 -1.221 -8.757 1.00 62.34 N ATOM 0 H HIS A 76 -4.306 -0.286 -5.426 1.00 25.15 H new ATOM 0 HA HIS A 76 -6.214 1.879 -4.806 1.00 44.30 H new ATOM 0 HB2 HIS A 76 -7.223 -0.920 -4.760 1.00 34.03 H new ATOM 0 HB3 HIS A 76 -8.060 0.567 -5.160 1.00 34.03 H new ATOM 0 HD2 HIS A 76 -6.485 -2.417 -6.934 1.00 70.11 H new ATOM 0 HE1 HIS A 76 -7.116 0.537 -9.913 1.00 12.21 H new ATOM 0 HE2 HIS A 76 -6.527 -1.904 -9.489 1.00 62.34 H new ATOM 1100 N LEU A 77 -5.588 1.434 -2.454 1.00 24.24 N ATOM 1101 CA LEU A 77 -5.337 1.199 -1.036 1.00 4.34 C ATOM 1102 C LEU A 77 -6.318 1.984 -0.172 1.00 20.22 C ATOM 1103 O LEU A 77 -6.141 3.181 0.056 1.00 60.01 O ATOM 1104 CB LEU A 77 -3.900 1.589 -0.681 1.00 14.30 C ATOM 1105 CG LEU A 77 -3.420 2.939 -1.215 1.00 61.42 C ATOM 1106 CD1 LEU A 77 -2.390 3.548 -0.276 1.00 43.32 C ATOM 1107 CD2 LEU A 77 -2.844 2.785 -2.614 1.00 44.24 C ATOM 0 H LEU A 77 -5.666 2.418 -2.711 1.00 24.24 H new ATOM 0 HA LEU A 77 -5.478 0.136 -0.838 1.00 4.34 H new ATOM 0 HB2 LEU A 77 -3.804 1.595 0.405 1.00 14.30 H new ATOM 0 HB3 LEU A 77 -3.231 0.814 -1.056 1.00 14.30 H new ATOM 0 HG LEU A 77 -4.276 3.612 -1.269 1.00 61.42 H new ATOM 0 HD11 LEU A 77 -2.060 4.508 -0.672 1.00 43.32 H new ATOM 0 HD12 LEU A 77 -2.836 3.695 0.707 1.00 43.32 H new ATOM 0 HD13 LEU A 77 -1.535 2.878 -0.190 1.00 43.32 H new ATOM 0 HD21 LEU A 77 -2.508 3.756 -2.978 1.00 44.24 H new ATOM 0 HD22 LEU A 77 -2.000 2.096 -2.586 1.00 44.24 H new ATOM 0 HD23 LEU A 77 -3.611 2.393 -3.282 1.00 44.24 H new ATOM 1118 N VAL A 78 -7.353 1.302 0.308 1.00 44.14 N ATOM 1119 CA VAL A 78 -8.361 1.934 1.150 1.00 62.32 C ATOM 1120 C VAL A 78 -8.964 0.934 2.130 1.00 61.02 C ATOM 1121 O VAL A 78 -9.335 -0.177 1.751 1.00 15.45 O ATOM 1122 CB VAL A 78 -9.489 2.554 0.306 1.00 14.42 C ATOM 1123 CG1 VAL A 78 -10.735 2.768 1.153 1.00 51.44 C ATOM 1124 CG2 VAL A 78 -9.030 3.862 -0.319 1.00 5.32 C ATOM 0 H VAL A 78 -7.515 0.311 0.128 1.00 44.14 H new ATOM 0 HA VAL A 78 -7.858 2.725 1.706 1.00 62.32 H new ATOM 0 HB VAL A 78 -9.739 1.861 -0.498 1.00 14.42 H new ATOM 0 HG11 VAL A 78 -11.521 3.207 0.539 1.00 51.44 H new ATOM 0 HG12 VAL A 78 -11.075 1.811 1.548 1.00 51.44 H new ATOM 0 HG13 VAL A 78 -10.502 3.440 1.979 1.00 51.44 H new ATOM 0 HG21 VAL A 78 -9.840 4.286 -0.912 1.00 5.32 H new ATOM 0 HG22 VAL A 78 -8.751 4.563 0.468 1.00 5.32 H new ATOM 0 HG23 VAL A 78 -8.169 3.676 -0.961 1.00 5.32 H new ATOM 1134 N LEU A 79 -9.060 1.336 3.393 1.00 64.02 N ATOM 1135 CA LEU A 79 -9.619 0.474 4.429 1.00 32.45 C ATOM 1136 C LEU A 79 -10.921 1.054 4.974 1.00 52.23 C ATOM 1137 O LEU A 79 -10.917 2.069 5.671 1.00 45.34 O ATOM 1138 CB LEU A 79 -8.613 0.292 5.567 1.00 30.11 C ATOM 1139 CG LEU A 79 -8.952 -0.785 6.598 1.00 41.32 C ATOM 1140 CD1 LEU A 79 -8.860 -2.169 5.973 1.00 34.04 C ATOM 1141 CD2 LEU A 79 -8.030 -0.680 7.803 1.00 22.03 C ATOM 0 H LEU A 79 -8.758 2.252 3.724 1.00 64.02 H new ATOM 0 HA LEU A 79 -9.833 -0.497 3.983 1.00 32.45 H new ATOM 0 HB2 LEU A 79 -7.642 0.057 5.132 1.00 30.11 H new ATOM 0 HB3 LEU A 79 -8.507 1.244 6.087 1.00 30.11 H new ATOM 0 HG LEU A 79 -9.976 -0.628 6.936 1.00 41.32 H new ATOM 0 HD11 LEU A 79 -9.104 -2.923 6.721 1.00 34.04 H new ATOM 0 HD12 LEU A 79 -9.562 -2.241 5.143 1.00 34.04 H new ATOM 0 HD13 LEU A 79 -7.847 -2.336 5.607 1.00 34.04 H new ATOM 0 HD21 LEU A 79 -8.286 -1.454 8.526 1.00 22.03 H new ATOM 0 HD22 LEU A 79 -6.996 -0.810 7.483 1.00 22.03 H new ATOM 0 HD23 LEU A 79 -8.146 0.300 8.265 1.00 22.03 H new ATOM 1152 N ARG A 80 -12.033 0.400 4.655 1.00 0.15 N ATOM 1153 CA ARG A 80 -13.342 0.850 5.113 1.00 60.33 C ATOM 1154 C ARG A 80 -13.448 2.371 5.048 1.00 53.43 C ATOM 1155 O ARG A 80 -13.408 3.051 6.075 1.00 3.03 O ATOM 1156 CB ARG A 80 -13.597 0.371 6.544 1.00 11.45 C ATOM 1157 CG ARG A 80 -14.982 0.720 7.064 1.00 23.30 C ATOM 1158 CD ARG A 80 -14.948 1.069 8.544 1.00 22.13 C ATOM 1159 NE ARG A 80 -14.610 -0.086 9.371 1.00 30.11 N ATOM 1160 CZ ARG A 80 -14.860 -0.154 10.674 1.00 61.25 C ATOM 1161 NH1 ARG A 80 -15.447 0.859 11.295 1.00 64.21 N ATOM 1162 NH2 ARG A 80 -14.522 -1.240 11.359 1.00 62.24 N ATOM 0 H ARG A 80 -12.054 -0.443 4.081 1.00 0.15 H new ATOM 0 HA ARG A 80 -14.097 0.422 4.453 1.00 60.33 H new ATOM 0 HB2 ARG A 80 -13.464 -0.710 6.586 1.00 11.45 H new ATOM 0 HB3 ARG A 80 -12.849 0.810 7.204 1.00 11.45 H new ATOM 0 HG2 ARG A 80 -15.383 1.562 6.499 1.00 23.30 H new ATOM 0 HG3 ARG A 80 -15.656 -0.122 6.903 1.00 23.30 H new ATOM 0 HD2 ARG A 80 -14.219 1.862 8.713 1.00 22.13 H new ATOM 0 HD3 ARG A 80 -15.919 1.460 8.847 1.00 22.13 H new ATOM 0 HE ARG A 80 -14.158 -0.884 8.924 1.00 30.11 H new ATOM 0 HH11 ARG A 80 -15.709 1.695 10.772 1.00 64.21 H new ATOM 0 HH12 ARG A 80 -15.637 0.803 12.296 1.00 64.21 H new ATOM 0 HH21 ARG A 80 -14.070 -2.022 10.885 1.00 62.24 H new ATOM 0 HH22 ARG A 80 -14.714 -1.292 12.359 1.00 62.24 H new ATOM 1173 N LEU A 81 -13.582 2.898 3.836 1.00 11.13 N ATOM 1174 CA LEU A 81 -13.694 4.339 3.637 1.00 3.21 C ATOM 1175 C LEU A 81 -14.765 4.933 4.546 1.00 44.33 C ATOM 1176 O LEU A 81 -15.548 4.206 5.157 1.00 61.03 O ATOM 1177 CB LEU A 81 -14.020 4.648 2.174 1.00 62.24 C ATOM 1178 CG LEU A 81 -15.455 4.360 1.732 1.00 74.52 C ATOM 1179 CD1 LEU A 81 -15.914 3.007 2.253 1.00 4.41 C ATOM 1180 CD2 LEU A 81 -16.391 5.462 2.209 1.00 44.12 C ATOM 0 H LEU A 81 -13.616 2.350 2.977 1.00 11.13 H new ATOM 0 HA LEU A 81 -12.736 4.792 3.892 1.00 3.21 H new ATOM 0 HB2 LEU A 81 -13.809 5.701 1.990 1.00 62.24 H new ATOM 0 HB3 LEU A 81 -13.344 4.072 1.542 1.00 62.24 H new ATOM 0 HG LEU A 81 -15.480 4.334 0.643 1.00 74.52 H new ATOM 0 HD11 LEU A 81 -16.938 2.820 1.928 1.00 4.41 H new ATOM 0 HD12 LEU A 81 -15.261 2.226 1.863 1.00 4.41 H new ATOM 0 HD13 LEU A 81 -15.873 3.003 3.342 1.00 4.41 H new ATOM 0 HD21 LEU A 81 -17.408 5.241 1.886 1.00 44.12 H new ATOM 0 HD22 LEU A 81 -16.361 5.520 3.297 1.00 44.12 H new ATOM 0 HD23 LEU A 81 -16.075 6.416 1.786 1.00 44.12 H new