USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=18 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= -0.0664 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -149:sc= -3.59 (180deg=-6.62!) USER MOD Single : A 10 GLN : amide:sc= -1.84! C(o=-1.8!,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= -0.028 (180deg=-0.288) USER MOD Single : A 15 THR OG1 : rot 118:sc= 0.355 USER MOD Single : A 17 THR OG1 : rot 145:sc= 0.0298 USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0207) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00814 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 33 ASN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc=-0.00154 (180deg=-0.0266) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -2.49 K(o=-2.5,f=-4.6) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= -0.0697 (180deg=-0.39) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0635 X(o=-0.064,f=-0.51) USER MOD Single : A 63 THR OG1 : rot -176:sc= -1.06 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= -0.205 X(o=-0.2,f=-0.23) USER MOD Single : A 70 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.5!) USER MOD Single : A 71 LYS NZ :NH3+ -151:sc= -0.77 (180deg=-1.88) USER MOD Single : A 76 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.302 17.268 -7.602 1.00 53.52 N ATOM 92 CA SER A 8 1.119 17.119 -8.800 1.00 40.31 C ATOM 93 C SER A 8 0.965 15.721 -9.392 1.00 53.04 C ATOM 94 O SER A 8 0.990 15.544 -10.609 1.00 44.33 O ATOM 95 CB SER A 8 2.589 17.390 -8.477 1.00 41.25 C ATOM 96 OG SER A 8 3.328 17.662 -9.655 1.00 41.33 O ATOM 0 HA SER A 8 0.777 17.846 -9.537 1.00 40.31 H new ATOM 0 HB2 SER A 8 2.664 18.235 -7.793 1.00 41.25 H new ATOM 0 HB3 SER A 8 3.017 16.528 -7.966 1.00 41.25 H new ATOM 0 HG SER A 8 4.264 17.833 -9.422 1.00 41.33 H new ATOM 101 N MET A 9 0.806 14.730 -8.520 1.00 44.32 N ATOM 102 CA MET A 9 0.648 13.348 -8.955 1.00 55.35 C ATOM 103 C MET A 9 -0.808 12.906 -8.843 1.00 62.10 C ATOM 104 O MET A 9 -1.451 13.118 -7.816 1.00 35.30 O ATOM 105 CB MET A 9 1.539 12.423 -8.123 1.00 4.53 C ATOM 106 CG MET A 9 2.852 13.062 -7.703 1.00 60.24 C ATOM 107 SD MET A 9 3.810 13.668 -9.105 1.00 44.45 S ATOM 108 CE MET A 9 4.913 12.284 -9.385 1.00 31.53 C ATOM 0 H MET A 9 0.783 14.859 -7.508 1.00 44.32 H new ATOM 0 HA MET A 9 0.949 13.286 -10.001 1.00 55.35 H new ATOM 0 HB2 MET A 9 0.994 12.112 -7.232 1.00 4.53 H new ATOM 0 HB3 MET A 9 1.750 11.522 -8.698 1.00 4.53 H new ATOM 0 HG2 MET A 9 2.648 13.889 -7.023 1.00 60.24 H new ATOM 0 HG3 MET A 9 3.445 12.334 -7.150 1.00 60.24 H new ATOM 0 HE1 MET A 9 5.861 12.649 -9.780 1.00 31.53 H new ATOM 0 HE2 MET A 9 5.088 11.762 -8.444 1.00 31.53 H new ATOM 0 HE3 MET A 9 4.461 11.598 -10.101 1.00 31.53 H new ATOM 116 N GLN A 10 -1.319 12.292 -9.906 1.00 71.41 N ATOM 117 CA GLN A 10 -2.700 11.823 -9.924 1.00 52.44 C ATOM 118 C GLN A 10 -2.774 10.371 -10.387 1.00 63.32 C ATOM 119 O GLN A 10 -2.070 9.967 -11.313 1.00 22.32 O ATOM 120 CB GLN A 10 -3.548 12.706 -10.840 1.00 34.24 C ATOM 121 CG GLN A 10 -4.032 13.984 -10.175 1.00 74.11 C ATOM 122 CD GLN A 10 -5.487 14.285 -10.477 1.00 53.43 C ATOM 123 OE1 GLN A 10 -6.272 14.582 -9.576 1.00 43.15 O ATOM 124 NE2 GLN A 10 -5.856 14.208 -11.751 1.00 74.02 N ATOM 0 H GLN A 10 -0.799 12.108 -10.764 1.00 71.41 H new ATOM 0 HA GLN A 10 -3.092 11.883 -8.909 1.00 52.44 H new ATOM 0 HB2 GLN A 10 -2.965 12.965 -11.724 1.00 34.24 H new ATOM 0 HB3 GLN A 10 -4.411 12.136 -11.184 1.00 34.24 H new ATOM 0 HG2 GLN A 10 -3.899 13.901 -9.096 1.00 74.11 H new ATOM 0 HG3 GLN A 10 -3.416 14.819 -10.509 1.00 74.11 H new ATOM 0 HE21 GLN A 10 -5.172 13.958 -12.466 1.00 74.02 H new ATOM 0 HE22 GLN A 10 -6.823 14.399 -12.014 1.00 74.02 H new ATOM 131 N ILE A 11 -3.631 9.591 -9.735 1.00 43.44 N ATOM 132 CA ILE A 11 -3.797 8.185 -10.080 1.00 10.43 C ATOM 133 C ILE A 11 -5.224 7.718 -9.813 1.00 4.22 C ATOM 134 O ILE A 11 -6.033 8.453 -9.247 1.00 34.23 O ATOM 135 CB ILE A 11 -2.821 7.292 -9.292 1.00 63.52 C ATOM 136 CG1 ILE A 11 -2.265 6.187 -10.192 1.00 72.21 C ATOM 137 CG2 ILE A 11 -3.514 6.694 -8.076 1.00 4.33 C ATOM 138 CD1 ILE A 11 -1.368 5.209 -9.465 1.00 21.35 C ATOM 0 H ILE A 11 -4.220 9.909 -8.966 1.00 43.44 H new ATOM 0 HA ILE A 11 -3.580 8.094 -11.144 1.00 10.43 H new ATOM 0 HB ILE A 11 -1.989 7.906 -8.947 1.00 63.52 H new ATOM 0 HG12 ILE A 11 -3.096 5.642 -10.640 1.00 72.21 H new ATOM 0 HG13 ILE A 11 -1.705 6.642 -11.009 1.00 72.21 H new ATOM 0 HG21 ILE A 11 -2.811 6.065 -7.529 1.00 4.33 H new ATOM 0 HG22 ILE A 11 -3.865 7.496 -7.426 1.00 4.33 H new ATOM 0 HG23 ILE A 11 -4.363 6.092 -8.400 1.00 4.33 H new ATOM 0 HD11 ILE A 11 -1.011 4.454 -10.165 1.00 21.35 H new ATOM 0 HD12 ILE A 11 -0.517 5.742 -9.040 1.00 21.35 H new ATOM 0 HD13 ILE A 11 -1.929 4.726 -8.665 1.00 21.35 H new ATOM 149 N PHE A 12 -5.526 6.491 -10.223 1.00 70.44 N ATOM 150 CA PHE A 12 -6.855 5.924 -10.026 1.00 11.55 C ATOM 151 C PHE A 12 -6.856 4.923 -8.875 1.00 22.13 C ATOM 152 O PHE A 12 -6.101 3.951 -8.883 1.00 62.21 O ATOM 153 CB PHE A 12 -7.337 5.244 -11.309 1.00 11.34 C ATOM 154 CG PHE A 12 -8.581 5.859 -11.884 1.00 63.11 C ATOM 155 CD1 PHE A 12 -9.814 5.642 -11.291 1.00 63.50 C ATOM 156 CD2 PHE A 12 -8.518 6.654 -13.017 1.00 65.24 C ATOM 157 CE1 PHE A 12 -10.961 6.207 -11.817 1.00 62.21 C ATOM 158 CE2 PHE A 12 -9.661 7.221 -13.548 1.00 64.12 C ATOM 159 CZ PHE A 12 -10.883 6.998 -12.947 1.00 73.54 C ATOM 0 H PHE A 12 -4.868 5.870 -10.694 1.00 70.44 H new ATOM 0 HA PHE A 12 -7.536 6.738 -9.776 1.00 11.55 H new ATOM 0 HB2 PHE A 12 -6.542 5.287 -12.054 1.00 11.34 H new ATOM 0 HB3 PHE A 12 -7.524 4.190 -11.104 1.00 11.34 H new ATOM 0 HD1 PHE A 12 -9.880 5.024 -10.408 1.00 63.50 H new ATOM 0 HD2 PHE A 12 -7.564 6.833 -13.491 1.00 65.24 H new ATOM 0 HE1 PHE A 12 -11.916 6.030 -11.345 1.00 62.21 H new ATOM 0 HE2 PHE A 12 -9.598 7.838 -14.432 1.00 64.12 H new ATOM 0 HZ PHE A 12 -11.777 7.441 -13.359 1.00 73.54 H new ATOM 168 N VAL A 13 -7.709 5.169 -7.886 1.00 43.32 N ATOM 169 CA VAL A 13 -7.809 4.289 -6.727 1.00 0.12 C ATOM 170 C VAL A 13 -9.264 3.961 -6.411 1.00 32.44 C ATOM 171 O VAL A 13 -10.125 4.842 -6.410 1.00 21.32 O ATOM 172 CB VAL A 13 -7.154 4.921 -5.485 1.00 75.20 C ATOM 173 CG1 VAL A 13 -7.234 3.972 -4.299 1.00 45.01 C ATOM 174 CG2 VAL A 13 -5.711 5.301 -5.779 1.00 14.02 C ATOM 0 H VAL A 13 -8.341 5.970 -7.864 1.00 43.32 H new ATOM 0 HA VAL A 13 -7.279 3.370 -6.979 1.00 0.12 H new ATOM 0 HB VAL A 13 -7.699 5.830 -5.230 1.00 75.20 H new ATOM 0 HG11 VAL A 13 -6.766 4.435 -3.430 1.00 45.01 H new ATOM 0 HG12 VAL A 13 -8.279 3.755 -4.076 1.00 45.01 H new ATOM 0 HG13 VAL A 13 -6.714 3.044 -4.539 1.00 45.01 H new ATOM 0 HG21 VAL A 13 -5.264 5.746 -4.890 1.00 14.02 H new ATOM 0 HG22 VAL A 13 -5.150 4.410 -6.060 1.00 14.02 H new ATOM 0 HG23 VAL A 13 -5.684 6.020 -6.598 1.00 14.02 H new ATOM 184 N LYS A 14 -9.533 2.689 -6.140 1.00 65.10 N ATOM 185 CA LYS A 14 -10.884 2.243 -5.819 1.00 40.32 C ATOM 186 C LYS A 14 -10.935 1.625 -4.426 1.00 53.23 C ATOM 187 O LYS A 14 -10.098 0.793 -4.072 1.00 1.43 O ATOM 188 CB LYS A 14 -11.368 1.228 -6.857 1.00 12.25 C ATOM 189 CG LYS A 14 -11.602 1.830 -8.232 1.00 11.44 C ATOM 190 CD LYS A 14 -12.646 2.934 -8.188 1.00 54.14 C ATOM 191 CE LYS A 14 -13.969 2.427 -7.636 1.00 31.34 C ATOM 192 NZ LYS A 14 -14.447 1.218 -8.361 1.00 11.40 N ATOM 0 H LYS A 14 -8.833 1.947 -6.136 1.00 65.10 H new ATOM 0 HA LYS A 14 -11.541 3.112 -5.836 1.00 40.32 H new ATOM 0 HB2 LYS A 14 -10.633 0.427 -6.940 1.00 12.25 H new ATOM 0 HB3 LYS A 14 -12.295 0.775 -6.505 1.00 12.25 H new ATOM 0 HG2 LYS A 14 -10.665 2.230 -8.619 1.00 11.44 H new ATOM 0 HG3 LYS A 14 -11.925 1.050 -8.921 1.00 11.44 H new ATOM 0 HD2 LYS A 14 -12.283 3.755 -7.570 1.00 54.14 H new ATOM 0 HD3 LYS A 14 -12.798 3.333 -9.191 1.00 54.14 H new ATOM 0 HE2 LYS A 14 -13.855 2.194 -6.577 1.00 31.34 H new ATOM 0 HE3 LYS A 14 -14.719 3.215 -7.710 1.00 31.34 H new ATOM 0 HZ1 LYS A 14 -15.423 1.004 -8.073 1.00 11.40 H new ATOM 0 HZ2 LYS A 14 -14.419 1.394 -9.386 1.00 11.40 H new ATOM 0 HZ3 LYS A 14 -13.833 0.410 -8.131 1.00 11.40 H new ATOM 202 N THR A 15 -11.925 2.034 -3.638 1.00 1.11 N ATOM 203 CA THR A 15 -12.086 1.519 -2.284 1.00 32.51 C ATOM 204 C THR A 15 -12.996 0.296 -2.265 1.00 41.42 C ATOM 205 O THR A 15 -13.456 -0.164 -3.311 1.00 22.32 O ATOM 206 CB THR A 15 -12.667 2.591 -1.342 1.00 33.00 C ATOM 207 OG1 THR A 15 -14.081 2.697 -1.533 1.00 13.24 O ATOM 208 CG2 THR A 15 -12.013 3.942 -1.591 1.00 12.42 C ATOM 0 H THR A 15 -12.627 2.720 -3.915 1.00 1.11 H new ATOM 0 HA THR A 15 -11.094 1.235 -1.933 1.00 32.51 H new ATOM 0 HB THR A 15 -12.462 2.290 -0.315 1.00 33.00 H new ATOM 0 HG1 THR A 15 -14.542 2.461 -0.701 1.00 13.24 H new ATOM 0 HG21 THR A 15 -12.439 4.683 -0.914 1.00 12.42 H new ATOM 0 HG22 THR A 15 -10.940 3.865 -1.415 1.00 12.42 H new ATOM 0 HG23 THR A 15 -12.191 4.248 -2.622 1.00 12.42 H new ATOM 216 N LEU A 16 -13.252 -0.227 -1.071 1.00 25.01 N ATOM 217 CA LEU A 16 -14.108 -1.397 -0.916 1.00 51.35 C ATOM 218 C LEU A 16 -15.579 -1.016 -1.039 1.00 52.12 C ATOM 219 O LEU A 16 -16.395 -1.797 -1.530 1.00 22.13 O ATOM 220 CB LEU A 16 -13.853 -2.064 0.438 1.00 14.40 C ATOM 221 CG LEU A 16 -12.434 -2.584 0.673 1.00 51.12 C ATOM 222 CD1 LEU A 16 -11.519 -1.455 1.121 1.00 22.01 C ATOM 223 CD2 LEU A 16 -12.441 -3.707 1.700 1.00 73.12 C ATOM 0 H LEU A 16 -12.879 0.141 -0.196 1.00 25.01 H new ATOM 0 HA LEU A 16 -13.867 -2.101 -1.712 1.00 51.35 H new ATOM 0 HB2 LEU A 16 -14.091 -1.347 1.224 1.00 14.40 H new ATOM 0 HB3 LEU A 16 -14.547 -2.898 0.546 1.00 14.40 H new ATOM 0 HG LEU A 16 -12.053 -2.981 -0.268 1.00 51.12 H new ATOM 0 HD11 LEU A 16 -10.514 -1.844 1.283 1.00 22.01 H new ATOM 0 HD12 LEU A 16 -11.490 -0.683 0.352 1.00 22.01 H new ATOM 0 HD13 LEU A 16 -11.897 -1.027 2.050 1.00 22.01 H new ATOM 0 HD21 LEU A 16 -11.423 -4.065 1.855 1.00 73.12 H new ATOM 0 HD22 LEU A 16 -12.842 -3.335 2.643 1.00 73.12 H new ATOM 0 HD23 LEU A 16 -13.063 -4.526 1.339 1.00 73.12 H new ATOM 234 N THR A 17 -15.913 0.190 -0.590 1.00 44.24 N ATOM 235 CA THR A 17 -17.285 0.676 -0.650 1.00 21.34 C ATOM 236 C THR A 17 -17.623 1.199 -2.042 1.00 70.35 C ATOM 237 O THR A 17 -18.779 1.174 -2.462 1.00 70.41 O ATOM 238 CB THR A 17 -17.531 1.794 0.379 1.00 62.30 C ATOM 239 OG1 THR A 17 -18.874 1.720 0.872 1.00 23.52 O ATOM 240 CG2 THR A 17 -17.287 3.163 -0.239 1.00 31.32 C ATOM 0 H THR A 17 -15.250 0.849 -0.180 1.00 44.24 H new ATOM 0 HA THR A 17 -17.930 -0.171 -0.416 1.00 21.34 H new ATOM 0 HB THR A 17 -16.833 1.656 1.205 1.00 62.30 H new ATOM 0 HG1 THR A 17 -18.889 1.971 1.819 1.00 23.52 H new ATOM 0 HG21 THR A 17 -17.467 3.937 0.507 1.00 31.32 H new ATOM 0 HG22 THR A 17 -16.256 3.227 -0.586 1.00 31.32 H new ATOM 0 HG23 THR A 17 -17.963 3.307 -1.082 1.00 31.32 H new ATOM 248 N GLY A 18 -16.604 1.673 -2.754 1.00 34.21 N ATOM 249 CA GLY A 18 -16.814 2.194 -4.092 1.00 24.45 C ATOM 250 C GLY A 18 -16.412 3.650 -4.216 1.00 62.41 C ATOM 251 O GLY A 18 -16.735 4.310 -5.203 1.00 11.54 O ATOM 0 H GLY A 18 -15.638 1.705 -2.428 1.00 34.21 H new ATOM 0 HA2 GLY A 18 -16.241 1.600 -4.804 1.00 24.45 H new ATOM 0 HA3 GLY A 18 -17.865 2.086 -4.360 1.00 24.45 H new ATOM 255 N LYS A 19 -15.705 4.155 -3.210 1.00 11.15 N ATOM 256 CA LYS A 19 -15.258 5.543 -3.209 1.00 11.25 C ATOM 257 C LYS A 19 -13.997 5.709 -4.050 1.00 0.44 C ATOM 258 O LYS A 19 -13.190 4.786 -4.168 1.00 31.12 O ATOM 259 CB LYS A 19 -14.994 6.015 -1.777 1.00 35.21 C ATOM 260 CG LYS A 19 -15.823 7.221 -1.371 1.00 2.33 C ATOM 261 CD LYS A 19 -15.068 8.519 -1.603 1.00 3.05 C ATOM 262 CE LYS A 19 -15.814 9.709 -1.019 1.00 4.13 C ATOM 263 NZ LYS A 19 -17.117 9.938 -1.702 1.00 41.32 N ATOM 0 H LYS A 19 -15.429 3.623 -2.385 1.00 11.15 H new ATOM 0 HA LYS A 19 -16.049 6.153 -3.646 1.00 11.25 H new ATOM 0 HB2 LYS A 19 -15.200 5.195 -1.089 1.00 35.21 H new ATOM 0 HB3 LYS A 19 -13.937 6.260 -1.673 1.00 35.21 H new ATOM 0 HG2 LYS A 19 -16.753 7.233 -1.940 1.00 2.33 H new ATOM 0 HG3 LYS A 19 -16.094 7.140 -0.318 1.00 2.33 H new ATOM 0 HD2 LYS A 19 -14.078 8.451 -1.151 1.00 3.05 H new ATOM 0 HD3 LYS A 19 -14.921 8.670 -2.672 1.00 3.05 H new ATOM 0 HE2 LYS A 19 -15.986 9.543 0.044 1.00 4.13 H new ATOM 0 HE3 LYS A 19 -15.196 10.603 -1.106 1.00 4.13 H new ATOM 0 HZ1 LYS A 19 -17.570 10.788 -1.309 1.00 41.32 H new ATOM 0 HZ2 LYS A 19 -16.956 10.071 -2.721 1.00 41.32 H new ATOM 0 HZ3 LYS A 19 -17.736 9.115 -1.554 1.00 41.32 H new ATOM 273 N THR A 20 -13.831 6.891 -4.634 1.00 24.13 N ATOM 274 CA THR A 20 -12.668 7.179 -5.464 1.00 52.11 C ATOM 275 C THR A 20 -11.798 8.260 -4.836 1.00 61.51 C ATOM 276 O THR A 20 -12.288 9.329 -4.468 1.00 44.42 O ATOM 277 CB THR A 20 -13.084 7.626 -6.878 1.00 44.13 C ATOM 278 OG1 THR A 20 -14.432 8.106 -6.863 1.00 30.21 O ATOM 279 CG2 THR A 20 -12.960 6.477 -7.868 1.00 62.55 C ATOM 0 H THR A 20 -14.489 7.666 -4.547 1.00 24.13 H new ATOM 0 HA THR A 20 -12.095 6.254 -5.537 1.00 52.11 H new ATOM 0 HB THR A 20 -12.417 8.428 -7.192 1.00 44.13 H new ATOM 0 HG1 THR A 20 -14.688 8.390 -7.765 1.00 30.21 H new ATOM 0 HG21 THR A 20 -13.259 6.817 -8.859 1.00 62.55 H new ATOM 0 HG22 THR A 20 -11.926 6.133 -7.899 1.00 62.55 H new ATOM 0 HG23 THR A 20 -13.606 5.656 -7.556 1.00 62.55 H new ATOM 287 N ILE A 21 -10.505 7.978 -4.716 1.00 3.13 N ATOM 288 CA ILE A 21 -9.567 8.930 -4.134 1.00 42.23 C ATOM 289 C ILE A 21 -8.308 9.052 -4.987 1.00 41.11 C ATOM 290 O ILE A 21 -7.764 8.054 -5.459 1.00 41.42 O ATOM 291 CB ILE A 21 -9.166 8.522 -2.704 1.00 33.30 C ATOM 292 CG1 ILE A 21 -8.711 7.061 -2.675 1.00 4.21 C ATOM 293 CG2 ILE A 21 -10.328 8.739 -1.746 1.00 14.54 C ATOM 294 CD1 ILE A 21 -9.848 6.077 -2.509 1.00 2.45 C ATOM 0 H ILE A 21 -10.083 7.098 -5.014 1.00 3.13 H new ATOM 0 HA ILE A 21 -10.075 9.894 -4.100 1.00 42.23 H new ATOM 0 HB ILE A 21 -8.334 9.149 -2.383 1.00 33.30 H new ATOM 0 HG12 ILE A 21 -8.179 6.836 -3.599 1.00 4.21 H new ATOM 0 HG13 ILE A 21 -8.002 6.926 -1.858 1.00 4.21 H new ATOM 0 HG21 ILE A 21 -10.029 8.446 -0.739 1.00 14.54 H new ATOM 0 HG22 ILE A 21 -10.610 9.792 -1.749 1.00 14.54 H new ATOM 0 HG23 ILE A 21 -11.178 8.135 -2.062 1.00 14.54 H new ATOM 0 HD11 ILE A 21 -9.452 5.062 -2.497 1.00 2.45 H new ATOM 0 HD12 ILE A 21 -10.367 6.275 -1.571 1.00 2.45 H new ATOM 0 HD13 ILE A 21 -10.546 6.184 -3.339 1.00 2.45 H new ATOM 305 N THR A 22 -7.847 10.285 -5.179 1.00 34.42 N ATOM 306 CA THR A 22 -6.653 10.539 -5.973 1.00 50.22 C ATOM 307 C THR A 22 -5.388 10.264 -5.168 1.00 15.12 C ATOM 308 O THR A 22 -5.158 10.877 -4.124 1.00 4.35 O ATOM 309 CB THR A 22 -6.617 11.992 -6.484 1.00 62.13 C ATOM 310 OG1 THR A 22 -7.948 12.459 -6.729 1.00 53.33 O ATOM 311 CG2 THR A 22 -5.794 12.097 -7.760 1.00 34.54 C ATOM 0 H THR A 22 -8.284 11.123 -4.795 1.00 34.42 H new ATOM 0 HA THR A 22 -6.691 9.862 -6.826 1.00 50.22 H new ATOM 0 HB THR A 22 -6.151 12.611 -5.718 1.00 62.13 H new ATOM 0 HG1 THR A 22 -7.916 13.384 -7.052 1.00 53.33 H new ATOM 0 HG21 THR A 22 -5.783 13.132 -8.102 1.00 34.54 H new ATOM 0 HG22 THR A 22 -4.773 11.769 -7.563 1.00 34.54 H new ATOM 0 HG23 THR A 22 -6.235 11.465 -8.531 1.00 34.54 H new ATOM 319 N LEU A 23 -4.570 9.339 -5.658 1.00 4.31 N ATOM 320 CA LEU A 23 -3.326 8.983 -4.984 1.00 22.24 C ATOM 321 C LEU A 23 -2.117 9.458 -5.784 1.00 15.24 C ATOM 322 O LEU A 23 -2.199 9.642 -6.999 1.00 45.22 O ATOM 323 CB LEU A 23 -3.252 7.470 -4.776 1.00 44.11 C ATOM 324 CG LEU A 23 -3.833 6.944 -3.463 1.00 50.21 C ATOM 325 CD1 LEU A 23 -2.888 7.232 -2.307 1.00 12.21 C ATOM 326 CD2 LEU A 23 -5.201 7.557 -3.203 1.00 61.34 C ATOM 0 H LEU A 23 -4.746 8.822 -6.519 1.00 4.31 H new ATOM 0 HA LEU A 23 -3.313 9.479 -4.013 1.00 22.24 H new ATOM 0 HB2 LEU A 23 -3.773 6.984 -5.601 1.00 44.11 H new ATOM 0 HB3 LEU A 23 -2.207 7.166 -4.835 1.00 44.11 H new ATOM 0 HG LEU A 23 -3.951 5.864 -3.547 1.00 50.21 H new ATOM 0 HD11 LEU A 23 -3.319 6.850 -1.381 1.00 12.21 H new ATOM 0 HD12 LEU A 23 -1.930 6.745 -2.490 1.00 12.21 H new ATOM 0 HD13 LEU A 23 -2.737 8.308 -2.220 1.00 12.21 H new ATOM 0 HD21 LEU A 23 -5.600 7.172 -2.265 1.00 61.34 H new ATOM 0 HD22 LEU A 23 -5.108 8.641 -3.140 1.00 61.34 H new ATOM 0 HD23 LEU A 23 -5.877 7.298 -4.018 1.00 61.34 H new ATOM 337 N GLU A 24 -0.997 9.653 -5.096 1.00 52.14 N ATOM 338 CA GLU A 24 0.228 10.105 -5.744 1.00 53.34 C ATOM 339 C GLU A 24 1.167 8.931 -6.010 1.00 2.13 C ATOM 340 O GLU A 24 1.154 7.934 -5.288 1.00 4.34 O ATOM 341 CB GLU A 24 0.934 11.150 -4.878 1.00 14.10 C ATOM 342 CG GLU A 24 1.479 10.592 -3.574 1.00 22.41 C ATOM 343 CD GLU A 24 2.783 11.246 -3.159 1.00 12.02 C ATOM 344 OE1 GLU A 24 3.744 11.210 -3.955 1.00 31.11 O ATOM 345 OE2 GLU A 24 2.841 11.794 -2.038 1.00 71.21 O ATOM 0 H GLU A 24 -0.913 9.505 -4.090 1.00 52.14 H new ATOM 0 HA GLU A 24 -0.042 10.557 -6.699 1.00 53.34 H new ATOM 0 HB2 GLU A 24 1.754 11.587 -5.447 1.00 14.10 H new ATOM 0 HB3 GLU A 24 0.236 11.956 -4.655 1.00 14.10 H new ATOM 0 HG2 GLU A 24 0.739 10.733 -2.786 1.00 22.41 H new ATOM 0 HG3 GLU A 24 1.633 9.518 -3.679 1.00 22.41 H new ATOM 350 N VAL A 25 1.981 9.058 -7.054 1.00 64.44 N ATOM 351 CA VAL A 25 2.928 8.010 -7.417 1.00 54.33 C ATOM 352 C VAL A 25 4.328 8.578 -7.616 1.00 25.32 C ATOM 353 O VAL A 25 4.490 9.719 -8.048 1.00 52.20 O ATOM 354 CB VAL A 25 2.493 7.283 -8.704 1.00 63.04 C ATOM 355 CG1 VAL A 25 1.427 6.242 -8.395 1.00 3.04 C ATOM 356 CG2 VAL A 25 1.993 8.281 -9.736 1.00 71.33 C ATOM 0 H VAL A 25 2.003 9.876 -7.663 1.00 64.44 H new ATOM 0 HA VAL A 25 2.943 7.297 -6.592 1.00 54.33 H new ATOM 0 HB VAL A 25 3.359 6.768 -9.121 1.00 63.04 H new ATOM 0 HG11 VAL A 25 1.132 5.739 -9.316 1.00 3.04 H new ATOM 0 HG12 VAL A 25 1.826 5.510 -7.693 1.00 3.04 H new ATOM 0 HG13 VAL A 25 0.558 6.731 -7.954 1.00 3.04 H new ATOM 0 HG21 VAL A 25 1.690 7.750 -10.639 1.00 71.33 H new ATOM 0 HG22 VAL A 25 1.140 8.826 -9.332 1.00 71.33 H new ATOM 0 HG23 VAL A 25 2.790 8.984 -9.979 1.00 71.33 H new ATOM 366 N GLU A 26 5.338 7.775 -7.297 1.00 71.40 N ATOM 367 CA GLU A 26 6.726 8.199 -7.440 1.00 73.20 C ATOM 368 C GLU A 26 7.681 7.086 -7.021 1.00 51.21 C ATOM 369 O GLU A 26 7.396 6.294 -6.122 1.00 13.42 O ATOM 370 CB GLU A 26 6.988 9.453 -6.603 1.00 74.05 C ATOM 371 CG GLU A 26 7.350 10.674 -7.432 1.00 14.11 C ATOM 372 CD GLU A 26 7.059 11.975 -6.712 1.00 64.14 C ATOM 373 OE1 GLU A 26 6.997 11.963 -5.465 1.00 65.02 O ATOM 374 OE2 GLU A 26 6.895 13.008 -7.395 1.00 51.42 O ATOM 0 H GLU A 26 5.221 6.827 -6.938 1.00 71.40 H new ATOM 0 HA GLU A 26 6.902 8.429 -8.491 1.00 73.20 H new ATOM 0 HB2 GLU A 26 6.100 9.676 -6.011 1.00 74.05 H new ATOM 0 HB3 GLU A 26 7.796 9.248 -5.901 1.00 74.05 H new ATOM 0 HG2 GLU A 26 8.409 10.634 -7.688 1.00 14.11 H new ATOM 0 HG3 GLU A 26 6.794 10.650 -8.369 1.00 14.11 H new ATOM 379 N PRO A 27 8.844 7.022 -7.687 1.00 52.20 N ATOM 380 CA PRO A 27 9.865 6.011 -7.402 1.00 75.34 C ATOM 381 C PRO A 27 10.539 6.231 -6.051 1.00 13.34 C ATOM 382 O PRO A 27 11.000 5.283 -5.416 1.00 41.01 O ATOM 383 CB PRO A 27 10.874 6.194 -8.539 1.00 50.03 C ATOM 384 CG PRO A 27 10.705 7.610 -8.968 1.00 5.02 C ATOM 385 CD PRO A 27 9.250 7.934 -8.770 1.00 62.14 C ATOM 0 HA PRO A 27 9.441 5.008 -7.348 1.00 75.34 H new ATOM 0 HB2 PRO A 27 11.892 6.001 -8.200 1.00 50.03 H new ATOM 0 HB3 PRO A 27 10.675 5.505 -9.360 1.00 50.03 H new ATOM 0 HG2 PRO A 27 11.336 8.274 -8.378 1.00 5.02 H new ATOM 0 HG3 PRO A 27 10.995 7.739 -10.011 1.00 5.02 H new ATOM 0 HD2 PRO A 27 9.105 8.978 -8.492 1.00 62.14 H new ATOM 0 HD3 PRO A 27 8.672 7.762 -9.678 1.00 62.14 H new ATOM 390 N SER A 28 10.590 7.486 -5.619 1.00 24.12 N ATOM 391 CA SER A 28 11.210 7.832 -4.345 1.00 52.23 C ATOM 392 C SER A 28 10.150 8.116 -3.284 1.00 3.44 C ATOM 393 O SER A 28 10.461 8.251 -2.101 1.00 5.03 O ATOM 394 CB SER A 28 12.122 9.049 -4.510 1.00 54.01 C ATOM 395 OG SER A 28 12.164 9.475 -5.861 1.00 53.42 O ATOM 0 H SER A 28 10.209 8.281 -6.132 1.00 24.12 H new ATOM 0 HA SER A 28 11.808 6.981 -4.018 1.00 52.23 H new ATOM 0 HB2 SER A 28 11.765 9.863 -3.880 1.00 54.01 H new ATOM 0 HB3 SER A 28 13.128 8.802 -4.172 1.00 54.01 H new ATOM 0 HG SER A 28 12.752 10.255 -5.940 1.00 53.42 H new ATOM 400 N ASP A 29 8.897 8.205 -3.719 1.00 61.15 N ATOM 401 CA ASP A 29 7.791 8.473 -2.807 1.00 11.32 C ATOM 402 C ASP A 29 7.024 7.192 -2.493 1.00 42.22 C ATOM 403 O ASP A 29 6.258 6.695 -3.319 1.00 74.20 O ATOM 404 CB ASP A 29 6.846 9.512 -3.411 1.00 22.23 C ATOM 405 CG ASP A 29 6.271 10.449 -2.366 1.00 24.02 C ATOM 406 OD1 ASP A 29 6.987 11.384 -1.950 1.00 12.43 O ATOM 407 OD2 ASP A 29 5.106 10.248 -1.966 1.00 44.04 O ATOM 0 H ASP A 29 8.623 8.096 -4.695 1.00 61.15 H new ATOM 0 HA ASP A 29 8.204 8.865 -1.878 1.00 11.32 H new ATOM 0 HB2 ASP A 29 7.382 10.094 -4.161 1.00 22.23 H new ATOM 0 HB3 ASP A 29 6.031 9.002 -3.925 1.00 22.23 H new ATOM 411 N THR A 30 7.236 6.660 -1.294 1.00 71.42 N ATOM 412 CA THR A 30 6.568 5.436 -0.870 1.00 71.00 C ATOM 413 C THR A 30 5.196 5.736 -0.277 1.00 61.53 C ATOM 414 O THR A 30 4.836 6.897 -0.076 1.00 4.24 O ATOM 415 CB THR A 30 7.407 4.667 0.167 1.00 42.32 C ATOM 416 OG1 THR A 30 6.810 3.393 0.432 1.00 42.13 O ATOM 417 CG2 THR A 30 7.523 5.457 1.462 1.00 64.15 C ATOM 0 H THR A 30 7.866 7.058 -0.598 1.00 71.42 H new ATOM 0 HA THR A 30 6.449 4.817 -1.759 1.00 71.00 H new ATOM 0 HB THR A 30 8.407 4.522 -0.242 1.00 42.32 H new ATOM 0 HG1 THR A 30 7.350 2.909 1.091 1.00 42.13 H new ATOM 0 HG21 THR A 30 8.120 4.894 2.179 1.00 64.15 H new ATOM 0 HG22 THR A 30 8.004 6.415 1.262 1.00 64.15 H new ATOM 0 HG23 THR A 30 6.528 5.629 1.873 1.00 64.15 H new ATOM 425 N ILE A 31 4.435 4.684 0.004 1.00 62.44 N ATOM 426 CA ILE A 31 3.104 4.836 0.578 1.00 33.14 C ATOM 427 C ILE A 31 3.138 5.714 1.824 1.00 64.01 C ATOM 428 O ILE A 31 2.165 6.395 2.143 1.00 15.32 O ATOM 429 CB ILE A 31 2.489 3.471 0.943 1.00 24.31 C ATOM 430 CG1 ILE A 31 2.042 2.734 -0.322 1.00 25.53 C ATOM 431 CG2 ILE A 31 1.317 3.657 1.897 1.00 44.52 C ATOM 432 CD1 ILE A 31 3.176 2.059 -1.060 1.00 55.03 C ATOM 0 H ILE A 31 4.717 3.717 -0.156 1.00 62.44 H new ATOM 0 HA ILE A 31 2.486 5.313 -0.183 1.00 33.14 H new ATOM 0 HB ILE A 31 3.247 2.868 1.443 1.00 24.31 H new ATOM 0 HG12 ILE A 31 1.298 1.985 -0.052 1.00 25.53 H new ATOM 0 HG13 ILE A 31 1.554 3.442 -0.992 1.00 25.53 H new ATOM 0 HG21 ILE A 31 0.893 2.684 2.146 1.00 44.52 H new ATOM 0 HG22 ILE A 31 1.663 4.146 2.808 1.00 44.52 H new ATOM 0 HG23 ILE A 31 0.555 4.274 1.421 1.00 44.52 H new ATOM 0 HD11 ILE A 31 2.786 1.557 -1.945 1.00 55.03 H new ATOM 0 HD12 ILE A 31 3.910 2.806 -1.361 1.00 55.03 H new ATOM 0 HD13 ILE A 31 3.650 1.327 -0.407 1.00 55.03 H new ATOM 443 N GLU A 32 4.269 5.695 2.524 1.00 42.24 N ATOM 444 CA GLU A 32 4.431 6.491 3.735 1.00 11.35 C ATOM 445 C GLU A 32 4.074 7.952 3.476 1.00 63.13 C ATOM 446 O GLU A 32 3.245 8.533 4.176 1.00 22.31 O ATOM 447 CB GLU A 32 5.868 6.389 4.251 1.00 54.21 C ATOM 448 CG GLU A 32 6.051 6.942 5.655 1.00 41.40 C ATOM 449 CD GLU A 32 7.506 6.978 6.082 1.00 1.15 C ATOM 450 OE1 GLU A 32 8.298 6.169 5.556 1.00 14.01 O ATOM 451 OE2 GLU A 32 7.851 7.816 6.940 1.00 22.23 O ATOM 0 H GLU A 32 5.085 5.137 2.273 1.00 42.24 H new ATOM 0 HA GLU A 32 3.753 6.097 4.492 1.00 11.35 H new ATOM 0 HB2 GLU A 32 6.176 5.344 4.238 1.00 54.21 H new ATOM 0 HB3 GLU A 32 6.529 6.925 3.569 1.00 54.21 H new ATOM 0 HG2 GLU A 32 5.637 7.949 5.702 1.00 41.40 H new ATOM 0 HG3 GLU A 32 5.485 6.332 6.359 1.00 41.40 H new ATOM 456 N ASN A 33 4.708 8.541 2.467 1.00 65.25 N ATOM 457 CA ASN A 33 4.460 9.934 2.117 1.00 3.41 C ATOM 458 C ASN A 33 3.171 10.072 1.313 1.00 12.31 C ATOM 459 O ASN A 33 2.403 11.014 1.506 1.00 73.40 O ATOM 460 CB ASN A 33 5.636 10.498 1.316 1.00 32.41 C ATOM 461 CG ASN A 33 5.713 12.011 1.391 1.00 72.14 C ATOM 462 OD1 ASN A 33 6.629 12.567 1.998 1.00 1.23 O ATOM 463 ND2 ASN A 33 4.749 12.684 0.773 1.00 62.13 N ATOM 0 H ASN A 33 5.397 8.075 1.878 1.00 65.25 H new ATOM 0 HA ASN A 33 4.353 10.501 3.042 1.00 3.41 H new ATOM 0 HB2 ASN A 33 6.566 10.070 1.691 1.00 32.41 H new ATOM 0 HB3 ASN A 33 5.542 10.193 0.274 1.00 32.41 H new ATOM 0 HD21 ASN A 33 4.748 13.704 0.789 1.00 62.13 H new ATOM 0 HD22 ASN A 33 4.010 12.181 0.282 1.00 62.13 H new ATOM 469 N VAL A 34 2.939 9.124 0.409 1.00 50.30 N ATOM 470 CA VAL A 34 1.742 9.137 -0.424 1.00 42.04 C ATOM 471 C VAL A 34 0.483 9.245 0.427 1.00 34.02 C ATOM 472 O VAL A 34 -0.502 9.865 0.023 1.00 23.21 O ATOM 473 CB VAL A 34 1.652 7.872 -1.297 1.00 41.34 C ATOM 474 CG1 VAL A 34 0.384 7.890 -2.136 1.00 23.44 C ATOM 475 CG2 VAL A 34 2.885 7.746 -2.181 1.00 12.22 C ATOM 0 H VAL A 34 3.565 8.337 0.235 1.00 50.30 H new ATOM 0 HA VAL A 34 1.816 10.011 -1.071 1.00 42.04 H new ATOM 0 HB VAL A 34 1.612 7.002 -0.642 1.00 41.34 H new ATOM 0 HG11 VAL A 34 0.339 6.988 -2.746 1.00 23.44 H new ATOM 0 HG12 VAL A 34 -0.486 7.929 -1.480 1.00 23.44 H new ATOM 0 HG13 VAL A 34 0.389 8.766 -2.784 1.00 23.44 H new ATOM 0 HG21 VAL A 34 2.805 6.846 -2.791 1.00 12.22 H new ATOM 0 HG22 VAL A 34 2.959 8.619 -2.829 1.00 12.22 H new ATOM 0 HG23 VAL A 34 3.776 7.682 -1.556 1.00 12.22 H new ATOM 485 N LYS A 35 0.519 8.638 1.608 1.00 32.30 N ATOM 486 CA LYS A 35 -0.620 8.667 2.519 1.00 41.33 C ATOM 487 C LYS A 35 -1.098 10.096 2.747 1.00 32.34 C ATOM 488 O LYS A 35 -2.275 10.330 3.023 1.00 21.31 O ATOM 489 CB LYS A 35 -0.245 8.023 3.856 1.00 34.44 C ATOM 490 CG LYS A 35 0.497 8.959 4.795 1.00 50.22 C ATOM 491 CD LYS A 35 -0.457 9.687 5.725 1.00 73.43 C ATOM 492 CE LYS A 35 0.224 10.077 7.029 1.00 50.44 C ATOM 493 NZ LYS A 35 0.337 8.921 7.962 1.00 1.02 N ATOM 0 H LYS A 35 1.325 8.120 1.957 1.00 32.30 H new ATOM 0 HA LYS A 35 -1.432 8.100 2.064 1.00 41.33 H new ATOM 0 HB2 LYS A 35 -1.152 7.672 4.348 1.00 34.44 H new ATOM 0 HB3 LYS A 35 0.374 7.146 3.666 1.00 34.44 H new ATOM 0 HG2 LYS A 35 1.217 8.390 5.383 1.00 50.22 H new ATOM 0 HG3 LYS A 35 1.064 9.685 4.213 1.00 50.22 H new ATOM 0 HD2 LYS A 35 -0.838 10.581 5.231 1.00 73.43 H new ATOM 0 HD3 LYS A 35 -1.316 9.050 5.938 1.00 73.43 H new ATOM 0 HE2 LYS A 35 1.218 10.471 6.816 1.00 50.44 H new ATOM 0 HE3 LYS A 35 -0.340 10.877 7.508 1.00 50.44 H new ATOM 0 HZ1 LYS A 35 0.744 9.241 8.864 1.00 1.02 H new ATOM 0 HZ2 LYS A 35 -0.607 8.518 8.132 1.00 1.02 H new ATOM 0 HZ3 LYS A 35 0.953 8.195 7.543 1.00 1.02 H new ATOM 503 N ALA A 36 -0.179 11.049 2.629 1.00 33.24 N ATOM 504 CA ALA A 36 -0.509 12.457 2.819 1.00 54.44 C ATOM 505 C ALA A 36 -1.425 12.961 1.708 1.00 0.51 C ATOM 506 O ALA A 36 -2.428 13.624 1.969 1.00 55.13 O ATOM 507 CB ALA A 36 0.761 13.293 2.879 1.00 53.51 C ATOM 0 H ALA A 36 0.800 10.872 2.403 1.00 33.24 H new ATOM 0 HA ALA A 36 -1.041 12.556 3.765 1.00 54.44 H new ATOM 0 HB1 ALA A 36 0.500 14.342 3.021 1.00 53.51 H new ATOM 0 HB2 ALA A 36 1.379 12.957 3.712 1.00 53.51 H new ATOM 0 HB3 ALA A 36 1.315 13.180 1.947 1.00 53.51 H new ATOM 513 N LYS A 37 -1.071 12.643 0.466 1.00 71.34 N ATOM 514 CA LYS A 37 -1.860 13.063 -0.685 1.00 2.42 C ATOM 515 C LYS A 37 -3.302 12.581 -0.562 1.00 40.35 C ATOM 516 O LYS A 37 -4.242 13.360 -0.722 1.00 13.44 O ATOM 517 CB LYS A 37 -1.240 12.526 -1.978 1.00 71.51 C ATOM 518 CG LYS A 37 -0.267 13.490 -2.631 1.00 4.11 C ATOM 519 CD LYS A 37 -0.878 14.157 -3.853 1.00 41.44 C ATOM 520 CE LYS A 37 -1.362 15.563 -3.537 1.00 21.13 C ATOM 521 NZ LYS A 37 -0.296 16.579 -3.754 1.00 3.43 N ATOM 0 H LYS A 37 -0.243 12.096 0.232 1.00 71.34 H new ATOM 0 HA LYS A 37 -1.861 14.153 -0.715 1.00 2.42 H new ATOM 0 HB2 LYS A 37 -0.723 11.591 -1.762 1.00 71.51 H new ATOM 0 HB3 LYS A 37 -2.037 12.293 -2.684 1.00 71.51 H new ATOM 0 HG2 LYS A 37 0.031 14.252 -1.910 1.00 4.11 H new ATOM 0 HG3 LYS A 37 0.637 12.955 -2.921 1.00 4.11 H new ATOM 0 HD2 LYS A 37 -0.140 14.197 -4.654 1.00 41.44 H new ATOM 0 HD3 LYS A 37 -1.712 13.557 -4.217 1.00 41.44 H new ATOM 0 HE2 LYS A 37 -2.222 15.800 -4.163 1.00 21.13 H new ATOM 0 HE3 LYS A 37 -1.700 15.607 -2.502 1.00 21.13 H new ATOM 0 HZ1 LYS A 37 -0.666 17.524 -3.528 1.00 3.43 H new ATOM 0 HZ2 LYS A 37 0.515 16.368 -3.138 1.00 3.43 H new ATOM 0 HZ3 LYS A 37 0.009 16.556 -4.748 1.00 3.43 H new ATOM 531 N ILE A 38 -3.468 11.294 -0.274 1.00 24.34 N ATOM 532 CA ILE A 38 -4.796 10.710 -0.127 1.00 72.43 C ATOM 533 C ILE A 38 -5.453 11.161 1.173 1.00 21.21 C ATOM 534 O ILE A 38 -6.676 11.266 1.257 1.00 11.32 O ATOM 535 CB ILE A 38 -4.740 9.171 -0.154 1.00 30.14 C ATOM 536 CG1 ILE A 38 -6.114 8.583 0.174 1.00 22.13 C ATOM 537 CG2 ILE A 38 -3.692 8.662 0.824 1.00 14.23 C ATOM 538 CD1 ILE A 38 -6.265 8.170 1.621 1.00 43.23 C ATOM 0 H ILE A 38 -2.700 10.636 -0.138 1.00 24.34 H new ATOM 0 HA ILE A 38 -5.390 11.059 -0.972 1.00 72.43 H new ATOM 0 HB ILE A 38 -4.459 8.850 -1.157 1.00 30.14 H new ATOM 0 HG12 ILE A 38 -6.882 9.318 -0.068 1.00 22.13 H new ATOM 0 HG13 ILE A 38 -6.291 7.716 -0.463 1.00 22.13 H new ATOM 0 HG21 ILE A 38 -3.664 7.573 0.793 1.00 14.23 H new ATOM 0 HG22 ILE A 38 -2.714 9.058 0.548 1.00 14.23 H new ATOM 0 HG23 ILE A 38 -3.945 8.990 1.832 1.00 14.23 H new ATOM 0 HD11 ILE A 38 -7.263 7.762 1.781 1.00 43.23 H new ATOM 0 HD12 ILE A 38 -5.520 7.412 1.863 1.00 43.23 H new ATOM 0 HD13 ILE A 38 -6.121 9.038 2.264 1.00 43.23 H new ATOM 549 N GLN A 39 -4.632 11.427 2.184 1.00 70.20 N ATOM 550 CA GLN A 39 -5.135 11.868 3.480 1.00 40.31 C ATOM 551 C GLN A 39 -6.034 13.090 3.328 1.00 31.02 C ATOM 552 O GLN A 39 -6.972 13.283 4.101 1.00 72.23 O ATOM 553 CB GLN A 39 -3.970 12.191 4.419 1.00 14.03 C ATOM 554 CG GLN A 39 -3.748 11.140 5.495 1.00 62.10 C ATOM 555 CD GLN A 39 -2.755 11.587 6.550 1.00 53.45 C ATOM 556 OE1 GLN A 39 -1.886 12.418 6.288 1.00 44.34 O ATOM 557 NE2 GLN A 39 -2.879 11.034 7.751 1.00 4.14 N ATOM 0 H GLN A 39 -3.617 11.345 2.131 1.00 70.20 H new ATOM 0 HA GLN A 39 -5.724 11.057 3.908 1.00 40.31 H new ATOM 0 HB2 GLN A 39 -3.058 12.296 3.831 1.00 14.03 H new ATOM 0 HB3 GLN A 39 -4.154 13.154 4.895 1.00 14.03 H new ATOM 0 HG2 GLN A 39 -4.700 10.907 5.972 1.00 62.10 H new ATOM 0 HG3 GLN A 39 -3.391 10.220 5.031 1.00 62.10 H new ATOM 0 HE21 GLN A 39 -3.615 10.349 7.924 1.00 4.14 H new ATOM 0 HE22 GLN A 39 -2.239 11.294 8.501 1.00 4.14 H new ATOM 564 N ASP A 40 -5.742 13.913 2.326 1.00 72.43 N ATOM 565 CA ASP A 40 -6.524 15.117 2.073 1.00 35.02 C ATOM 566 C ASP A 40 -7.861 14.769 1.422 1.00 63.34 C ATOM 567 O ASP A 40 -8.841 15.500 1.563 1.00 74.24 O ATOM 568 CB ASP A 40 -5.743 16.080 1.178 1.00 32.53 C ATOM 569 CG ASP A 40 -5.257 17.303 1.930 1.00 34.32 C ATOM 570 OD1 ASP A 40 -6.074 17.925 2.641 1.00 22.23 O ATOM 571 OD2 ASP A 40 -4.061 17.639 1.808 1.00 43.11 O ATOM 0 H ASP A 40 -4.969 13.768 1.676 1.00 72.43 H new ATOM 0 HA ASP A 40 -6.720 15.601 3.030 1.00 35.02 H new ATOM 0 HB2 ASP A 40 -4.888 15.559 0.747 1.00 32.53 H new ATOM 0 HB3 ASP A 40 -6.376 16.395 0.348 1.00 32.53 H new ATOM 575 N LYS A 41 -7.891 13.649 0.708 1.00 72.01 N ATOM 576 CA LYS A 41 -9.104 13.203 0.035 1.00 35.14 C ATOM 577 C LYS A 41 -10.113 12.654 1.039 1.00 50.43 C ATOM 578 O LYS A 41 -11.256 13.106 1.095 1.00 54.11 O ATOM 579 CB LYS A 41 -8.771 12.133 -1.007 1.00 61.00 C ATOM 580 CG LYS A 41 -8.199 12.696 -2.297 1.00 62.54 C ATOM 581 CD LYS A 41 -6.734 13.069 -2.139 1.00 31.43 C ATOM 582 CE LYS A 41 -6.524 14.570 -2.275 1.00 74.02 C ATOM 583 NZ LYS A 41 -6.922 15.067 -3.621 1.00 51.24 N ATOM 0 H LYS A 41 -7.088 13.033 0.581 1.00 72.01 H new ATOM 0 HA LYS A 41 -9.548 14.063 -0.466 1.00 35.14 H new ATOM 0 HB2 LYS A 41 -8.056 11.431 -0.578 1.00 61.00 H new ATOM 0 HB3 LYS A 41 -9.674 11.568 -1.236 1.00 61.00 H new ATOM 0 HG2 LYS A 41 -8.305 11.961 -3.095 1.00 62.54 H new ATOM 0 HG3 LYS A 41 -8.769 13.575 -2.596 1.00 62.54 H new ATOM 0 HD2 LYS A 41 -6.376 12.737 -1.165 1.00 31.43 H new ATOM 0 HD3 LYS A 41 -6.141 12.548 -2.891 1.00 31.43 H new ATOM 0 HE2 LYS A 41 -7.103 15.088 -1.511 1.00 74.02 H new ATOM 0 HE3 LYS A 41 -5.475 14.808 -2.096 1.00 74.02 H new ATOM 0 HZ1 LYS A 41 -6.365 15.913 -3.857 1.00 51.24 H new ATOM 0 HZ2 LYS A 41 -6.745 14.327 -4.330 1.00 51.24 H new ATOM 0 HZ3 LYS A 41 -7.934 15.308 -3.617 1.00 51.24 H new ATOM 593 N GLU A 42 -9.681 11.677 1.831 1.00 31.11 N ATOM 594 CA GLU A 42 -10.547 11.068 2.833 1.00 11.40 C ATOM 595 C GLU A 42 -9.896 11.110 4.213 1.00 32.33 C ATOM 596 O GLU A 42 -10.570 11.313 5.223 1.00 45.11 O ATOM 597 CB GLU A 42 -10.865 9.620 2.452 1.00 11.23 C ATOM 598 CG GLU A 42 -9.667 8.854 1.916 1.00 31.14 C ATOM 599 CD GLU A 42 -10.022 7.445 1.483 1.00 64.23 C ATOM 600 OE1 GLU A 42 -11.184 7.035 1.691 1.00 24.42 O ATOM 601 OE2 GLU A 42 -9.139 6.752 0.936 1.00 44.21 O ATOM 0 H GLU A 42 -8.737 11.291 1.798 1.00 31.11 H new ATOM 0 HA GLU A 42 -11.475 11.639 2.870 1.00 11.40 H new ATOM 0 HB2 GLU A 42 -11.256 9.101 3.327 1.00 11.23 H new ATOM 0 HB3 GLU A 42 -11.654 9.616 1.700 1.00 11.23 H new ATOM 0 HG2 GLU A 42 -9.244 9.395 1.069 1.00 31.14 H new ATOM 0 HG3 GLU A 42 -8.895 8.810 2.684 1.00 31.14 H new ATOM 606 N GLY A 43 -8.581 10.917 4.248 1.00 12.34 N ATOM 607 CA GLY A 43 -7.861 10.937 5.507 1.00 41.14 C ATOM 608 C GLY A 43 -7.632 9.546 6.066 1.00 4.15 C ATOM 609 O GLY A 43 -7.563 9.363 7.282 1.00 12.23 O ATOM 0 H GLY A 43 -8.002 10.747 3.426 1.00 12.34 H new ATOM 0 HA2 GLY A 43 -6.900 11.431 5.365 1.00 41.14 H new ATOM 0 HA3 GLY A 43 -8.419 11.529 6.232 1.00 41.14 H new ATOM 613 N ILE A 44 -7.517 8.566 5.177 1.00 43.55 N ATOM 614 CA ILE A 44 -7.295 7.185 5.589 1.00 43.41 C ATOM 615 C ILE A 44 -5.829 6.943 5.935 1.00 14.23 C ATOM 616 O ILE A 44 -4.926 7.215 5.144 1.00 14.33 O ATOM 617 CB ILE A 44 -7.723 6.194 4.490 1.00 43.22 C ATOM 618 CG1 ILE A 44 -9.227 6.298 4.236 1.00 21.33 C ATOM 619 CG2 ILE A 44 -7.343 4.773 4.881 1.00 1.00 C ATOM 620 CD1 ILE A 44 -10.071 5.884 5.422 1.00 4.23 C ATOM 0 H ILE A 44 -7.574 8.702 4.168 1.00 43.55 H new ATOM 0 HA ILE A 44 -7.907 7.018 6.475 1.00 43.41 H new ATOM 0 HB ILE A 44 -7.200 6.449 3.568 1.00 43.22 H new ATOM 0 HG12 ILE A 44 -9.472 7.326 3.968 1.00 21.33 H new ATOM 0 HG13 ILE A 44 -9.487 5.675 3.380 1.00 21.33 H new ATOM 0 HG21 ILE A 44 -7.652 4.084 4.095 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -6.263 4.709 5.016 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -7.841 4.506 5.813 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -11.127 5.983 5.170 1.00 4.23 H new ATOM 0 HD12 ILE A 44 -9.855 4.847 5.678 1.00 4.23 H new ATOM 0 HD13 ILE A 44 -9.840 6.523 6.274 1.00 4.23 H new ATOM 631 N PRO A 45 -5.586 6.416 7.144 1.00 65.42 N ATOM 632 CA PRO A 45 -4.231 6.123 7.621 1.00 20.33 C ATOM 633 C PRO A 45 -3.595 4.955 6.876 1.00 61.44 C ATOM 634 O PRO A 45 -4.231 3.934 6.614 1.00 4.42 O ATOM 635 CB PRO A 45 -4.444 5.767 9.095 1.00 41.20 C ATOM 636 CG PRO A 45 -5.850 5.281 9.168 1.00 51.23 C ATOM 637 CD PRO A 45 -6.614 6.067 8.138 1.00 60.31 C ATOM 0 HA PRO A 45 -3.553 6.962 7.465 1.00 20.33 H new ATOM 0 HB2 PRO A 45 -3.742 5.000 9.422 1.00 41.20 H new ATOM 0 HB3 PRO A 45 -4.291 6.634 9.738 1.00 41.20 H new ATOM 0 HG2 PRO A 45 -5.905 4.212 8.962 1.00 51.23 H new ATOM 0 HG3 PRO A 45 -6.265 5.436 10.164 1.00 51.23 H new ATOM 0 HD2 PRO A 45 -7.416 5.477 7.696 1.00 60.31 H new ATOM 0 HD3 PRO A 45 -7.073 6.956 8.570 1.00 60.31 H new ATOM 642 N PRO A 46 -2.308 5.104 6.529 1.00 41.12 N ATOM 643 CA PRO A 46 -1.557 4.071 5.811 1.00 54.34 C ATOM 644 C PRO A 46 -1.282 2.846 6.677 1.00 21.41 C ATOM 645 O PRO A 46 -1.013 1.759 6.165 1.00 43.22 O ATOM 646 CB PRO A 46 -0.246 4.773 5.447 1.00 0.40 C ATOM 647 CG PRO A 46 -0.093 5.843 6.470 1.00 23.40 C ATOM 648 CD PRO A 46 -1.487 6.293 6.811 1.00 24.22 C ATOM 0 HA PRO A 46 -2.107 3.692 4.950 1.00 54.34 H new ATOM 0 HB2 PRO A 46 0.594 4.079 5.471 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -0.286 5.190 4.441 1.00 0.40 H new ATOM 0 HG2 PRO A 46 0.423 5.467 7.354 1.00 23.40 H new ATOM 0 HG3 PRO A 46 0.501 6.671 6.083 1.00 23.40 H new ATOM 0 HD2 PRO A 46 -1.567 6.598 7.854 1.00 24.22 H new ATOM 0 HD3 PRO A 46 -1.793 7.146 6.205 1.00 24.22 H new ATOM 653 N ASP A 47 -1.353 3.029 7.990 1.00 62.55 N ATOM 654 CA ASP A 47 -1.113 1.938 8.930 1.00 3.43 C ATOM 655 C ASP A 47 -2.175 0.853 8.782 1.00 54.15 C ATOM 656 O ASP A 47 -1.887 -0.334 8.939 1.00 10.21 O ATOM 657 CB ASP A 47 -1.100 2.465 10.365 1.00 23.23 C ATOM 658 CG ASP A 47 0.128 3.304 10.663 1.00 2.24 C ATOM 659 OD1 ASP A 47 0.796 3.738 9.701 1.00 40.03 O ATOM 660 OD2 ASP A 47 0.420 3.525 11.856 1.00 32.23 O ATOM 0 H ASP A 47 -1.575 3.922 8.429 1.00 62.55 H new ATOM 0 HA ASP A 47 -0.139 1.503 8.704 1.00 3.43 H new ATOM 0 HB2 ASP A 47 -1.995 3.062 10.538 1.00 23.23 H new ATOM 0 HB3 ASP A 47 -1.139 1.625 11.058 1.00 23.23 H new ATOM 664 N GLN A 48 -3.401 1.268 8.483 1.00 71.12 N ATOM 665 CA GLN A 48 -4.505 0.330 8.317 1.00 31.50 C ATOM 666 C GLN A 48 -4.894 0.201 6.848 1.00 72.01 C ATOM 667 O GLN A 48 -5.442 -0.819 6.430 1.00 1.32 O ATOM 668 CB GLN A 48 -5.714 0.782 9.139 1.00 44.11 C ATOM 669 CG GLN A 48 -5.392 1.043 10.601 1.00 61.14 C ATOM 670 CD GLN A 48 -6.452 1.879 11.292 1.00 41.21 C ATOM 671 OE1 GLN A 48 -7.614 1.888 10.885 1.00 70.35 O ATOM 672 NE2 GLN A 48 -6.056 2.586 12.344 1.00 1.30 N ATOM 0 H GLN A 48 -3.655 2.247 8.351 1.00 71.12 H new ATOM 0 HA GLN A 48 -4.176 -0.646 8.674 1.00 31.50 H new ATOM 0 HB2 GLN A 48 -6.124 1.691 8.698 1.00 44.11 H new ATOM 0 HB3 GLN A 48 -6.491 0.020 9.077 1.00 44.11 H new ATOM 0 HG2 GLN A 48 -5.289 0.091 11.122 1.00 61.14 H new ATOM 0 HG3 GLN A 48 -4.430 1.551 10.672 1.00 61.14 H new ATOM 0 HE21 GLN A 48 -5.083 2.549 12.647 1.00 1.30 H new ATOM 0 HE22 GLN A 48 -6.725 3.166 12.850 1.00 1.30 H new ATOM 679 N GLN A 49 -4.607 1.240 6.071 1.00 64.44 N ATOM 680 CA GLN A 49 -4.929 1.242 4.650 1.00 5.20 C ATOM 681 C GLN A 49 -4.284 0.053 3.944 1.00 52.22 C ATOM 682 O GLN A 49 -3.060 -0.072 3.908 1.00 23.22 O ATOM 683 CB GLN A 49 -4.462 2.547 4.001 1.00 35.20 C ATOM 684 CG GLN A 49 -4.834 2.664 2.532 1.00 53.31 C ATOM 685 CD GLN A 49 -5.032 4.100 2.092 1.00 24.14 C ATOM 686 OE1 GLN A 49 -6.162 4.576 1.976 1.00 44.31 O ATOM 687 NE2 GLN A 49 -3.931 4.800 1.843 1.00 65.44 N ATOM 0 H GLN A 49 -4.152 2.091 6.402 1.00 64.44 H new ATOM 0 HA GLN A 49 -6.011 1.160 4.549 1.00 5.20 H new ATOM 0 HB2 GLN A 49 -4.893 3.388 4.544 1.00 35.20 H new ATOM 0 HB3 GLN A 49 -3.379 2.625 4.100 1.00 35.20 H new ATOM 0 HG2 GLN A 49 -4.052 2.207 1.926 1.00 53.31 H new ATOM 0 HG3 GLN A 49 -5.750 2.102 2.347 1.00 53.31 H new ATOM 0 HE21 GLN A 49 -3.015 4.365 1.952 1.00 65.44 H new ATOM 0 HE22 GLN A 49 -4.002 5.772 1.543 1.00 65.44 H new ATOM 694 N ARG A 50 -5.117 -0.820 3.386 1.00 43.11 N ATOM 695 CA ARG A 50 -4.629 -2.000 2.683 1.00 61.52 C ATOM 696 C ARG A 50 -4.084 -1.627 1.307 1.00 74.44 C ATOM 697 O ARG A 50 -4.469 -0.609 0.731 1.00 43.32 O ATOM 698 CB ARG A 50 -5.748 -3.033 2.538 1.00 4.24 C ATOM 699 CG ARG A 50 -7.006 -2.480 1.888 1.00 24.13 C ATOM 700 CD ARG A 50 -8.015 -3.581 1.603 1.00 22.32 C ATOM 701 NE ARG A 50 -8.644 -4.076 2.825 1.00 14.13 N ATOM 702 CZ ARG A 50 -9.405 -5.164 2.871 1.00 13.23 C ATOM 703 NH1 ARG A 50 -9.629 -5.867 1.769 1.00 51.32 N ATOM 704 NH2 ARG A 50 -9.942 -5.551 4.020 1.00 12.00 N ATOM 0 H ARG A 50 -6.133 -0.732 3.407 1.00 43.11 H new ATOM 0 HA ARG A 50 -3.819 -2.433 3.270 1.00 61.52 H new ATOM 0 HB2 ARG A 50 -5.382 -3.872 1.946 1.00 4.24 H new ATOM 0 HB3 ARG A 50 -6.000 -3.424 3.524 1.00 4.24 H new ATOM 0 HG2 ARG A 50 -7.456 -1.733 2.541 1.00 24.13 H new ATOM 0 HG3 ARG A 50 -6.745 -1.975 0.958 1.00 24.13 H new ATOM 0 HD2 ARG A 50 -8.783 -3.203 0.927 1.00 22.32 H new ATOM 0 HD3 ARG A 50 -7.518 -4.405 1.092 1.00 22.32 H new ATOM 0 HE ARG A 50 -8.491 -3.558 3.690 1.00 14.13 H new ATOM 0 HH11 ARG A 50 -9.217 -5.573 0.884 1.00 51.32 H new ATOM 0 HH12 ARG A 50 -10.214 -6.702 1.807 1.00 51.32 H new ATOM 0 HH21 ARG A 50 -9.771 -5.013 4.870 1.00 12.00 H new ATOM 0 HH22 ARG A 50 -10.526 -6.386 4.054 1.00 12.00 H new ATOM 715 N LEU A 51 -3.186 -2.457 0.787 1.00 71.15 N ATOM 716 CA LEU A 51 -2.587 -2.215 -0.521 1.00 71.44 C ATOM 717 C LEU A 51 -2.891 -3.362 -1.479 1.00 53.41 C ATOM 718 O LEU A 51 -2.690 -4.530 -1.147 1.00 54.30 O ATOM 719 CB LEU A 51 -1.074 -2.036 -0.386 1.00 63.40 C ATOM 720 CG LEU A 51 -0.592 -0.617 -0.076 1.00 43.43 C ATOM 721 CD1 LEU A 51 -1.277 -0.080 1.171 1.00 41.53 C ATOM 722 CD2 LEU A 51 0.921 -0.593 0.091 1.00 54.40 C ATOM 0 H LEU A 51 -2.857 -3.303 1.251 1.00 71.15 H new ATOM 0 HA LEU A 51 -3.020 -1.301 -0.928 1.00 71.44 H new ATOM 0 HB2 LEU A 51 -0.718 -2.700 0.402 1.00 63.40 H new ATOM 0 HB3 LEU A 51 -0.605 -2.363 -1.314 1.00 63.40 H new ATOM 0 HG LEU A 51 -0.856 0.027 -0.915 1.00 43.43 H new ATOM 0 HD11 LEU A 51 -0.921 0.930 1.375 1.00 41.53 H new ATOM 0 HD12 LEU A 51 -2.355 -0.060 1.014 1.00 41.53 H new ATOM 0 HD13 LEU A 51 -1.046 -0.724 2.019 1.00 41.53 H new ATOM 0 HD21 LEU A 51 1.247 0.424 0.311 1.00 54.40 H new ATOM 0 HD22 LEU A 51 1.207 -1.251 0.911 1.00 54.40 H new ATOM 0 HD23 LEU A 51 1.394 -0.934 -0.830 1.00 54.40 H new ATOM 733 N ILE A 52 -3.373 -3.020 -2.668 1.00 10.44 N ATOM 734 CA ILE A 52 -3.701 -4.021 -3.676 1.00 22.04 C ATOM 735 C ILE A 52 -3.061 -3.680 -5.017 1.00 14.54 C ATOM 736 O ILE A 52 -3.360 -2.647 -5.616 1.00 22.33 O ATOM 737 CB ILE A 52 -5.224 -4.153 -3.865 1.00 24.42 C ATOM 738 CG1 ILE A 52 -5.846 -4.885 -2.675 1.00 11.23 C ATOM 739 CG2 ILE A 52 -5.536 -4.880 -5.165 1.00 21.42 C ATOM 740 CD1 ILE A 52 -5.900 -4.052 -1.414 1.00 53.12 C ATOM 0 H ILE A 52 -3.545 -2.057 -2.958 1.00 10.44 H new ATOM 0 HA ILE A 52 -3.305 -4.971 -3.318 1.00 22.04 H new ATOM 0 HB ILE A 52 -5.657 -3.154 -3.918 1.00 24.42 H new ATOM 0 HG12 ILE A 52 -6.857 -5.196 -2.938 1.00 11.23 H new ATOM 0 HG13 ILE A 52 -5.274 -5.792 -2.477 1.00 11.23 H new ATOM 0 HG21 ILE A 52 -6.616 -4.965 -5.284 1.00 21.42 H new ATOM 0 HG22 ILE A 52 -5.122 -4.320 -6.003 1.00 21.42 H new ATOM 0 HG23 ILE A 52 -5.094 -5.876 -5.140 1.00 21.42 H new ATOM 0 HD11 ILE A 52 -6.353 -4.635 -0.612 1.00 53.12 H new ATOM 0 HD12 ILE A 52 -4.890 -3.762 -1.126 1.00 53.12 H new ATOM 0 HD13 ILE A 52 -6.497 -3.158 -1.594 1.00 53.12 H new ATOM 751 N PHE A 53 -2.181 -4.558 -5.487 1.00 43.33 N ATOM 752 CA PHE A 53 -1.498 -4.351 -6.759 1.00 43.20 C ATOM 753 C PHE A 53 -1.584 -5.600 -7.632 1.00 34.42 C ATOM 754 O PHE A 53 -1.089 -6.664 -7.262 1.00 62.23 O ATOM 755 CB PHE A 53 -0.033 -3.981 -6.522 1.00 40.15 C ATOM 756 CG PHE A 53 0.829 -4.132 -7.744 1.00 20.40 C ATOM 757 CD1 PHE A 53 0.441 -3.579 -8.953 1.00 21.31 C ATOM 758 CD2 PHE A 53 2.026 -4.826 -7.682 1.00 25.21 C ATOM 759 CE1 PHE A 53 1.231 -3.716 -10.078 1.00 41.53 C ATOM 760 CE2 PHE A 53 2.821 -4.966 -8.804 1.00 65.45 C ATOM 761 CZ PHE A 53 2.423 -4.409 -10.004 1.00 51.02 C ATOM 0 H PHE A 53 -1.924 -5.420 -5.006 1.00 43.33 H new ATOM 0 HA PHE A 53 -1.993 -3.531 -7.279 1.00 43.20 H new ATOM 0 HB2 PHE A 53 0.021 -2.949 -6.174 1.00 40.15 H new ATOM 0 HB3 PHE A 53 0.367 -4.608 -5.725 1.00 40.15 H new ATOM 0 HD1 PHE A 53 -0.490 -3.035 -9.017 1.00 21.31 H new ATOM 0 HD2 PHE A 53 2.342 -5.263 -6.746 1.00 25.21 H new ATOM 0 HE1 PHE A 53 0.916 -3.281 -11.015 1.00 41.53 H new ATOM 0 HE2 PHE A 53 3.752 -5.510 -8.743 1.00 65.45 H new ATOM 0 HZ PHE A 53 3.043 -4.515 -10.882 1.00 51.02 H new ATOM 770 N ALA A 54 -2.218 -5.461 -8.791 1.00 2.42 N ATOM 771 CA ALA A 54 -2.369 -6.576 -9.718 1.00 0.30 C ATOM 772 C ALA A 54 -3.097 -7.743 -9.058 1.00 3.30 C ATOM 773 O ALA A 54 -2.873 -8.902 -9.404 1.00 41.54 O ATOM 774 CB ALA A 54 -1.008 -7.023 -10.232 1.00 35.11 C ATOM 0 H ALA A 54 -2.636 -4.587 -9.111 1.00 2.42 H new ATOM 0 HA ALA A 54 -2.970 -6.237 -10.562 1.00 0.30 H new ATOM 0 HB1 ALA A 54 -1.136 -7.856 -10.923 1.00 35.11 H new ATOM 0 HB2 ALA A 54 -0.524 -6.194 -10.748 1.00 35.11 H new ATOM 0 HB3 ALA A 54 -0.388 -7.339 -9.393 1.00 35.11 H new ATOM 780 N GLY A 55 -3.969 -7.428 -8.106 1.00 15.42 N ATOM 781 CA GLY A 55 -4.716 -8.462 -7.413 1.00 42.42 C ATOM 782 C GLY A 55 -3.967 -9.013 -6.216 1.00 12.10 C ATOM 783 O GLY A 55 -4.536 -9.738 -5.397 1.00 3.53 O ATOM 0 H GLY A 55 -4.172 -6.476 -7.802 1.00 15.42 H new ATOM 0 HA2 GLY A 55 -5.673 -8.056 -7.084 1.00 42.42 H new ATOM 0 HA3 GLY A 55 -4.935 -9.274 -8.106 1.00 42.42 H new ATOM 787 N LYS A 56 -2.687 -8.672 -6.112 1.00 55.45 N ATOM 788 CA LYS A 56 -1.858 -9.139 -5.006 1.00 21.21 C ATOM 789 C LYS A 56 -1.737 -8.066 -3.929 1.00 64.51 C ATOM 790 O LYS A 56 -1.541 -6.889 -4.231 1.00 14.10 O ATOM 791 CB LYS A 56 -0.468 -9.528 -5.513 1.00 0.20 C ATOM 792 CG LYS A 56 0.585 -8.458 -5.283 1.00 24.55 C ATOM 793 CD LYS A 56 1.850 -8.740 -6.075 1.00 15.33 C ATOM 794 CE LYS A 56 3.067 -8.093 -5.433 1.00 35.21 C ATOM 795 NZ LYS A 56 4.252 -8.124 -6.334 1.00 23.42 N ATOM 0 H LYS A 56 -2.201 -8.074 -6.780 1.00 55.45 H new ATOM 0 HA LYS A 56 -2.336 -10.016 -4.569 1.00 21.21 H new ATOM 0 HB2 LYS A 56 -0.154 -10.447 -5.018 1.00 0.20 H new ATOM 0 HB3 LYS A 56 -0.527 -9.744 -6.580 1.00 0.20 H new ATOM 0 HG2 LYS A 56 0.185 -7.485 -5.569 1.00 24.55 H new ATOM 0 HG3 LYS A 56 0.824 -8.404 -4.221 1.00 24.55 H new ATOM 0 HD2 LYS A 56 2.004 -9.817 -6.145 1.00 15.33 H new ATOM 0 HD3 LYS A 56 1.734 -8.368 -7.093 1.00 15.33 H new ATOM 0 HE2 LYS A 56 2.835 -7.060 -5.174 1.00 35.21 H new ATOM 0 HE3 LYS A 56 3.304 -8.609 -4.503 1.00 35.21 H new ATOM 0 HZ1 LYS A 56 5.061 -7.673 -5.860 1.00 23.42 H new ATOM 0 HZ2 LYS A 56 4.490 -9.111 -6.561 1.00 23.42 H new ATOM 0 HZ3 LYS A 56 4.035 -7.609 -7.211 1.00 23.42 H new ATOM 805 N GLN A 57 -1.851 -8.482 -2.671 1.00 22.33 N ATOM 806 CA GLN A 57 -1.752 -7.555 -1.549 1.00 54.20 C ATOM 807 C GLN A 57 -0.354 -7.583 -0.941 1.00 71.13 C ATOM 808 O GLN A 57 0.305 -8.624 -0.922 1.00 61.11 O ATOM 809 CB GLN A 57 -2.792 -7.901 -0.482 1.00 11.11 C ATOM 810 CG GLN A 57 -2.584 -7.166 0.832 1.00 30.21 C ATOM 811 CD GLN A 57 -3.829 -7.152 1.697 1.00 61.25 C ATOM 812 OE1 GLN A 57 -4.280 -6.095 2.139 1.00 64.24 O ATOM 813 NE2 GLN A 57 -4.392 -8.329 1.943 1.00 61.34 N ATOM 0 H GLN A 57 -2.012 -9.453 -2.404 1.00 22.33 H new ATOM 0 HA GLN A 57 -1.945 -6.549 -1.923 1.00 54.20 H new ATOM 0 HB2 GLN A 57 -3.785 -7.668 -0.866 1.00 11.11 H new ATOM 0 HB3 GLN A 57 -2.766 -8.975 -0.296 1.00 11.11 H new ATOM 0 HG2 GLN A 57 -1.769 -7.637 1.382 1.00 30.21 H new ATOM 0 HG3 GLN A 57 -2.278 -6.140 0.626 1.00 30.21 H new ATOM 0 HE21 GLN A 57 -3.984 -9.180 1.556 1.00 61.34 H new ATOM 0 HE22 GLN A 57 -5.232 -8.382 2.519 1.00 61.34 H new ATOM 820 N LEU A 58 0.094 -6.435 -0.446 1.00 21.43 N ATOM 821 CA LEU A 58 1.415 -6.327 0.163 1.00 74.52 C ATOM 822 C LEU A 58 1.314 -5.825 1.600 1.00 34.14 C ATOM 823 O LEU A 58 0.216 -5.619 2.119 1.00 5.41 O ATOM 824 CB LEU A 58 2.300 -5.387 -0.656 1.00 41.43 C ATOM 825 CG LEU A 58 1.665 -4.062 -1.076 1.00 13.34 C ATOM 826 CD1 LEU A 58 2.722 -2.976 -1.196 1.00 43.15 C ATOM 827 CD2 LEU A 58 0.913 -4.224 -2.390 1.00 72.12 C ATOM 0 H LEU A 58 -0.438 -5.565 -0.454 1.00 21.43 H new ATOM 0 HA LEU A 58 1.864 -7.320 0.176 1.00 74.52 H new ATOM 0 HB2 LEU A 58 3.197 -5.169 -0.077 1.00 41.43 H new ATOM 0 HB3 LEU A 58 2.621 -5.914 -1.555 1.00 41.43 H new ATOM 0 HG LEU A 58 0.953 -3.763 -0.306 1.00 13.34 H new ATOM 0 HD11 LEU A 58 2.250 -2.040 -1.496 1.00 43.15 H new ATOM 0 HD12 LEU A 58 3.216 -2.841 -0.234 1.00 43.15 H new ATOM 0 HD13 LEU A 58 3.459 -3.267 -1.945 1.00 43.15 H new ATOM 0 HD21 LEU A 58 0.467 -3.271 -2.674 1.00 72.12 H new ATOM 0 HD22 LEU A 58 1.605 -4.547 -3.168 1.00 72.12 H new ATOM 0 HD23 LEU A 58 0.128 -4.970 -2.270 1.00 72.12 H new ATOM 890 N THR A 63 9.781 2.122 -1.053 1.00 30.22 N ATOM 891 CA THR A 63 9.551 2.869 -2.284 1.00 41.21 C ATOM 892 C THR A 63 9.520 1.940 -3.492 1.00 1.10 C ATOM 893 O THR A 63 10.053 0.831 -3.450 1.00 71.21 O ATOM 894 CB THR A 63 10.635 3.941 -2.501 1.00 14.41 C ATOM 895 OG1 THR A 63 11.888 3.317 -2.802 1.00 43.42 O ATOM 896 CG2 THR A 63 10.783 4.819 -1.268 1.00 43.10 C ATOM 0 HA THR A 63 8.583 3.359 -2.181 1.00 41.21 H new ATOM 0 HB THR A 63 10.331 4.568 -3.339 1.00 14.41 H new ATOM 0 HG1 THR A 63 12.585 4.002 -2.877 1.00 43.42 H new ATOM 0 HG21 THR A 63 11.554 5.568 -1.445 1.00 43.10 H new ATOM 0 HG22 THR A 63 9.836 5.316 -1.059 1.00 43.10 H new ATOM 0 HG23 THR A 63 11.065 4.203 -0.414 1.00 43.10 H new ATOM 904 N LEU A 64 8.895 2.401 -4.570 1.00 12.43 N ATOM 905 CA LEU A 64 8.795 1.611 -5.792 1.00 2.34 C ATOM 906 C LEU A 64 10.177 1.188 -6.281 1.00 53.31 C ATOM 907 O LEU A 64 10.375 0.046 -6.699 1.00 63.00 O ATOM 908 CB LEU A 64 8.080 2.411 -6.883 1.00 22.22 C ATOM 909 CG LEU A 64 6.804 3.137 -6.455 1.00 15.23 C ATOM 910 CD1 LEU A 64 6.134 3.790 -7.654 1.00 32.01 C ATOM 911 CD2 LEU A 64 5.848 2.173 -5.766 1.00 22.31 C ATOM 0 H LEU A 64 8.450 3.317 -4.623 1.00 12.43 H new ATOM 0 HA LEU A 64 8.217 0.714 -5.569 1.00 2.34 H new ATOM 0 HB2 LEU A 64 8.777 3.148 -7.281 1.00 22.22 H new ATOM 0 HB3 LEU A 64 7.832 1.733 -7.700 1.00 22.22 H new ATOM 0 HG LEU A 64 7.074 3.919 -5.745 1.00 15.23 H new ATOM 0 HD11 LEU A 64 5.228 4.302 -7.330 1.00 32.01 H new ATOM 0 HD12 LEU A 64 6.817 4.511 -8.104 1.00 32.01 H new ATOM 0 HD13 LEU A 64 5.877 3.026 -8.388 1.00 32.01 H new ATOM 0 HD21 LEU A 64 4.945 2.706 -5.468 1.00 22.31 H new ATOM 0 HD22 LEU A 64 5.584 1.369 -6.453 1.00 22.31 H new ATOM 0 HD23 LEU A 64 6.329 1.752 -4.883 1.00 22.31 H new ATOM 922 N SER A 65 11.129 2.113 -6.223 1.00 33.44 N ATOM 923 CA SER A 65 12.492 1.836 -6.661 1.00 55.42 C ATOM 924 C SER A 65 13.204 0.917 -5.673 1.00 30.51 C ATOM 925 O SER A 65 14.081 0.142 -6.052 1.00 73.44 O ATOM 926 CB SER A 65 13.275 3.141 -6.817 1.00 74.14 C ATOM 927 OG SER A 65 14.373 2.974 -7.697 1.00 45.30 O ATOM 0 H SER A 65 10.982 3.061 -5.877 1.00 33.44 H new ATOM 0 HA SER A 65 12.442 1.333 -7.627 1.00 55.42 H new ATOM 0 HB2 SER A 65 12.616 3.921 -7.197 1.00 74.14 H new ATOM 0 HB3 SER A 65 13.633 3.473 -5.842 1.00 74.14 H new ATOM 0 HG SER A 65 14.857 3.822 -7.781 1.00 45.30 H new ATOM 932 N GLU A 66 12.819 1.013 -4.403 1.00 53.22 N ATOM 933 CA GLU A 66 13.422 0.191 -3.360 1.00 33.51 C ATOM 934 C GLU A 66 12.924 -1.250 -3.446 1.00 20.24 C ATOM 935 O GLU A 66 13.693 -2.195 -3.276 1.00 3.35 O ATOM 936 CB GLU A 66 13.105 0.769 -1.979 1.00 64.54 C ATOM 937 CG GLU A 66 14.068 1.860 -1.542 1.00 21.32 C ATOM 938 CD GLU A 66 13.646 2.527 -0.246 1.00 10.43 C ATOM 939 OE1 GLU A 66 12.672 2.051 0.374 1.00 24.43 O ATOM 940 OE2 GLU A 66 14.288 3.523 0.145 1.00 71.13 O ATOM 0 H GLU A 66 12.094 1.650 -4.073 1.00 53.22 H new ATOM 0 HA GLU A 66 14.502 0.194 -3.509 1.00 33.51 H new ATOM 0 HB2 GLU A 66 12.092 1.171 -1.986 1.00 64.54 H new ATOM 0 HB3 GLU A 66 13.123 -0.036 -1.244 1.00 64.54 H new ATOM 0 HG2 GLU A 66 15.063 1.433 -1.419 1.00 21.32 H new ATOM 0 HG3 GLU A 66 14.139 2.613 -2.327 1.00 21.32 H new ATOM 945 N TYR A 67 11.631 -1.407 -3.709 1.00 13.45 N ATOM 946 CA TYR A 67 11.029 -2.731 -3.816 1.00 73.42 C ATOM 947 C TYR A 67 11.040 -3.221 -5.260 1.00 23.25 C ATOM 948 O TYR A 67 10.619 -4.340 -5.551 1.00 43.30 O ATOM 949 CB TYR A 67 9.594 -2.705 -3.285 1.00 51.24 C ATOM 950 CG TYR A 67 9.209 -3.952 -2.521 1.00 21.23 C ATOM 951 CD1 TYR A 67 8.861 -5.120 -3.189 1.00 30.34 C ATOM 952 CD2 TYR A 67 9.192 -3.962 -1.132 1.00 21.51 C ATOM 953 CE1 TYR A 67 8.507 -6.261 -2.495 1.00 33.02 C ATOM 954 CE2 TYR A 67 8.842 -5.099 -0.430 1.00 33.32 C ATOM 955 CZ TYR A 67 8.499 -6.246 -1.116 1.00 62.21 C ATOM 956 OH TYR A 67 8.148 -7.379 -0.421 1.00 72.44 O ATOM 0 H TYR A 67 10.980 -0.635 -3.852 1.00 13.45 H new ATOM 0 HA TYR A 67 11.621 -3.421 -3.214 1.00 73.42 H new ATOM 0 HB2 TYR A 67 9.471 -1.838 -2.635 1.00 51.24 H new ATOM 0 HB3 TYR A 67 8.908 -2.575 -4.122 1.00 51.24 H new ATOM 0 HD1 TYR A 67 8.867 -5.136 -4.269 1.00 30.34 H new ATOM 0 HD2 TYR A 67 9.457 -3.065 -0.592 1.00 21.51 H new ATOM 0 HE1 TYR A 67 8.238 -7.160 -3.030 1.00 33.02 H new ATOM 0 HE2 TYR A 67 8.837 -5.090 0.650 1.00 33.32 H new ATOM 0 HH TYR A 67 8.195 -7.200 0.541 1.00 72.44 H new ATOM 965 N ASN A 68 11.525 -2.373 -6.162 1.00 35.04 N ATOM 966 CA ASN A 68 11.591 -2.718 -7.577 1.00 10.30 C ATOM 967 C ASN A 68 10.194 -2.926 -8.153 1.00 51.43 C ATOM 968 O ASN A 68 10.036 -3.490 -9.236 1.00 54.51 O ATOM 969 CB ASN A 68 12.432 -3.981 -7.776 1.00 14.03 C ATOM 970 CG ASN A 68 12.891 -4.149 -9.211 1.00 3.20 C ATOM 971 OD1 ASN A 68 12.396 -5.011 -9.937 1.00 13.33 O ATOM 972 ND2 ASN A 68 13.845 -3.323 -9.628 1.00 73.24 N ATOM 0 H ASN A 68 11.878 -1.443 -5.938 1.00 35.04 H new ATOM 0 HA ASN A 68 12.061 -1.889 -8.106 1.00 10.30 H new ATOM 0 HB2 ASN A 68 13.302 -3.942 -7.121 1.00 14.03 H new ATOM 0 HB3 ASN A 68 11.849 -4.853 -7.479 1.00 14.03 H new ATOM 0 HD21 ASN A 68 14.195 -3.389 -10.584 1.00 73.24 H new ATOM 0 HD22 ASN A 68 14.227 -2.623 -8.992 1.00 73.24 H new ATOM 978 N ILE A 69 9.184 -2.467 -7.422 1.00 63.42 N ATOM 979 CA ILE A 69 7.801 -2.602 -7.860 1.00 23.33 C ATOM 980 C ILE A 69 7.371 -1.404 -8.700 1.00 23.14 C ATOM 981 O ILE A 69 7.995 -0.344 -8.651 1.00 72.32 O ATOM 982 CB ILE A 69 6.843 -2.745 -6.663 1.00 13.14 C ATOM 983 CG1 ILE A 69 6.929 -1.512 -5.762 1.00 33.10 C ATOM 984 CG2 ILE A 69 7.163 -4.007 -5.876 1.00 54.24 C ATOM 985 CD1 ILE A 69 6.023 -1.584 -4.553 1.00 61.40 C ATOM 0 H ILE A 69 9.298 -1.998 -6.523 1.00 63.42 H new ATOM 0 HA ILE A 69 7.749 -3.506 -8.467 1.00 23.33 H new ATOM 0 HB ILE A 69 5.824 -2.825 -7.040 1.00 13.14 H new ATOM 0 HG12 ILE A 69 7.959 -1.387 -5.427 1.00 33.10 H new ATOM 0 HG13 ILE A 69 6.674 -0.627 -6.345 1.00 33.10 H new ATOM 0 HG21 ILE A 69 6.477 -4.094 -5.033 1.00 54.24 H new ATOM 0 HG22 ILE A 69 7.054 -4.877 -6.524 1.00 54.24 H new ATOM 0 HG23 ILE A 69 8.187 -3.956 -5.507 1.00 54.24 H new ATOM 0 HD11 ILE A 69 6.136 -0.677 -3.959 1.00 61.40 H new ATOM 0 HD12 ILE A 69 4.987 -1.678 -4.880 1.00 61.40 H new ATOM 0 HD13 ILE A 69 6.292 -2.450 -3.948 1.00 61.40 H new ATOM 996 N GLN A 70 6.302 -1.580 -9.469 1.00 15.11 N ATOM 997 CA GLN A 70 5.789 -0.512 -10.319 1.00 12.23 C ATOM 998 C GLN A 70 4.306 -0.271 -10.054 1.00 4.01 C ATOM 999 O GLN A 70 3.478 -1.162 -10.241 1.00 74.34 O ATOM 1000 CB GLN A 70 6.005 -0.857 -11.794 1.00 51.14 C ATOM 1001 CG GLN A 70 7.450 -0.715 -12.246 1.00 11.31 C ATOM 1002 CD GLN A 70 7.596 -0.758 -13.754 1.00 1.14 C ATOM 1003 OE1 GLN A 70 6.631 -0.545 -14.490 1.00 54.03 O ATOM 1004 NE2 GLN A 70 8.807 -1.033 -14.224 1.00 1.13 N ATOM 0 H GLN A 70 5.774 -2.451 -9.521 1.00 15.11 H new ATOM 0 HA GLN A 70 6.336 0.401 -10.082 1.00 12.23 H new ATOM 0 HB2 GLN A 70 5.676 -1.881 -11.971 1.00 51.14 H new ATOM 0 HB3 GLN A 70 5.376 -0.210 -12.406 1.00 51.14 H new ATOM 0 HG2 GLN A 70 7.853 0.226 -11.872 1.00 11.31 H new ATOM 0 HG3 GLN A 70 8.045 -1.514 -11.804 1.00 11.31 H new ATOM 0 HE21 GLN A 70 9.578 -1.203 -13.578 1.00 1.13 H new ATOM 0 HE22 GLN A 70 8.966 -1.074 -15.231 1.00 1.13 H new ATOM 1011 N LYS A 71 3.979 0.941 -9.617 1.00 35.33 N ATOM 1012 CA LYS A 71 2.596 1.302 -9.326 1.00 55.44 C ATOM 1013 C LYS A 71 2.180 2.539 -10.115 1.00 33.43 C ATOM 1014 O LYS A 71 1.108 3.100 -9.886 1.00 51.33 O ATOM 1015 CB LYS A 71 2.417 1.555 -7.827 1.00 4.51 C ATOM 1016 CG LYS A 71 3.076 0.504 -6.951 1.00 74.15 C ATOM 1017 CD LYS A 71 2.458 -0.868 -7.164 1.00 30.13 C ATOM 1018 CE LYS A 71 3.414 -1.979 -6.760 1.00 15.31 C ATOM 1019 NZ LYS A 71 2.952 -2.690 -5.535 1.00 31.50 N ATOM 0 H LYS A 71 4.653 1.690 -9.457 1.00 35.33 H new ATOM 0 HA LYS A 71 1.959 0.470 -9.626 1.00 55.44 H new ATOM 0 HB2 LYS A 71 2.830 2.533 -7.580 1.00 4.51 H new ATOM 0 HB3 LYS A 71 1.352 1.592 -7.598 1.00 4.51 H new ATOM 0 HG2 LYS A 71 4.143 0.462 -7.172 1.00 74.15 H new ATOM 0 HG3 LYS A 71 2.979 0.789 -5.903 1.00 74.15 H new ATOM 0 HD2 LYS A 71 1.539 -0.948 -6.583 1.00 30.13 H new ATOM 0 HD3 LYS A 71 2.184 -0.986 -8.212 1.00 30.13 H new ATOM 0 HE2 LYS A 71 3.510 -2.692 -7.579 1.00 15.31 H new ATOM 0 HE3 LYS A 71 4.405 -1.560 -6.585 1.00 15.31 H new ATOM 0 HZ1 LYS A 71 3.775 -3.060 -5.017 1.00 31.50 H new ATOM 0 HZ2 LYS A 71 2.428 -2.029 -4.927 1.00 31.50 H new ATOM 0 HZ3 LYS A 71 2.330 -3.479 -5.805 1.00 31.50 H new ATOM 1029 N GLU A 72 3.032 2.957 -11.045 1.00 11.34 N ATOM 1030 CA GLU A 72 2.750 4.128 -11.868 1.00 62.10 C ATOM 1031 C GLU A 72 1.734 3.796 -12.957 1.00 61.14 C ATOM 1032 O GLU A 72 2.017 3.930 -14.147 1.00 65.14 O ATOM 1033 CB GLU A 72 4.039 4.656 -12.501 1.00 71.22 C ATOM 1034 CG GLU A 72 4.790 3.614 -13.312 1.00 42.21 C ATOM 1035 CD GLU A 72 5.480 4.205 -14.526 1.00 31.34 C ATOM 1036 OE1 GLU A 72 6.619 4.695 -14.383 1.00 42.12 O ATOM 1037 OE2 GLU A 72 4.878 4.177 -15.621 1.00 63.24 O ATOM 0 H GLU A 72 3.923 2.503 -11.248 1.00 11.34 H new ATOM 0 HA GLU A 72 2.327 4.900 -11.224 1.00 62.10 H new ATOM 0 HB2 GLU A 72 3.797 5.501 -13.146 1.00 71.22 H new ATOM 0 HB3 GLU A 72 4.693 5.032 -11.714 1.00 71.22 H new ATOM 0 HG2 GLU A 72 5.532 3.130 -12.677 1.00 42.21 H new ATOM 0 HG3 GLU A 72 4.094 2.840 -13.635 1.00 42.21 H new ATOM 1042 N SER A 73 0.550 3.360 -12.540 1.00 32.34 N ATOM 1043 CA SER A 73 -0.507 3.005 -13.479 1.00 54.20 C ATOM 1044 C SER A 73 -1.865 2.976 -12.784 1.00 52.21 C ATOM 1045 O SER A 73 -2.591 3.971 -12.769 1.00 51.11 O ATOM 1046 CB SER A 73 -0.218 1.643 -14.114 1.00 22.11 C ATOM 1047 OG SER A 73 -1.354 1.149 -14.802 1.00 71.01 O ATOM 0 H SER A 73 0.299 3.244 -11.558 1.00 32.34 H new ATOM 0 HA SER A 73 -0.534 3.764 -14.260 1.00 54.20 H new ATOM 0 HB2 SER A 73 0.620 1.731 -14.806 1.00 22.11 H new ATOM 0 HB3 SER A 73 0.080 0.934 -13.341 1.00 22.11 H new ATOM 0 HG SER A 73 -1.143 0.279 -15.200 1.00 71.01 H new ATOM 1052 N THR A 74 -2.203 1.826 -12.208 1.00 61.31 N ATOM 1053 CA THR A 74 -3.473 1.665 -11.511 1.00 42.10 C ATOM 1054 C THR A 74 -3.291 0.903 -10.203 1.00 43.25 C ATOM 1055 O THR A 74 -3.030 -0.301 -10.206 1.00 33.33 O ATOM 1056 CB THR A 74 -4.503 0.924 -12.384 1.00 11.40 C ATOM 1057 OG1 THR A 74 -4.095 0.956 -13.757 1.00 34.42 O ATOM 1058 CG2 THR A 74 -5.882 1.550 -12.244 1.00 22.13 C ATOM 0 H THR A 74 -1.615 0.993 -12.211 1.00 61.31 H new ATOM 0 HA THR A 74 -3.844 2.667 -11.296 1.00 42.10 H new ATOM 0 HB THR A 74 -4.556 -0.111 -12.045 1.00 11.40 H new ATOM 0 HG1 THR A 74 -4.754 0.481 -14.305 1.00 34.42 H new ATOM 0 HG21 THR A 74 -6.592 1.010 -12.870 1.00 22.13 H new ATOM 0 HG22 THR A 74 -6.202 1.497 -11.203 1.00 22.13 H new ATOM 0 HG23 THR A 74 -5.842 2.593 -12.558 1.00 22.13 H new ATOM 1066 N LEU A 75 -3.428 1.611 -9.087 1.00 52.43 N ATOM 1067 CA LEU A 75 -3.278 1.000 -7.771 1.00 1.52 C ATOM 1068 C LEU A 75 -4.431 1.396 -6.853 1.00 44.50 C ATOM 1069 O LEU A 75 -4.790 2.570 -6.763 1.00 23.43 O ATOM 1070 CB LEU A 75 -1.946 1.413 -7.144 1.00 40.14 C ATOM 1071 CG LEU A 75 -1.006 0.272 -6.754 1.00 63.33 C ATOM 1072 CD1 LEU A 75 -1.522 -0.447 -5.517 1.00 13.23 C ATOM 1073 CD2 LEU A 75 -0.841 -0.703 -7.911 1.00 21.21 C ATOM 0 H LEU A 75 -3.643 2.608 -9.067 1.00 52.43 H new ATOM 0 HA LEU A 75 -3.293 -0.083 -7.896 1.00 1.52 H new ATOM 0 HB2 LEU A 75 -1.424 2.064 -7.845 1.00 40.14 H new ATOM 0 HB3 LEU A 75 -2.155 2.006 -6.253 1.00 40.14 H new ATOM 0 HG LEU A 75 -0.029 0.696 -6.521 1.00 63.33 H new ATOM 0 HD11 LEU A 75 -0.840 -1.256 -5.255 1.00 13.23 H new ATOM 0 HD12 LEU A 75 -1.586 0.257 -4.687 1.00 13.23 H new ATOM 0 HD13 LEU A 75 -2.511 -0.858 -5.721 1.00 13.23 H new ATOM 0 HD21 LEU A 75 -0.169 -1.508 -7.615 1.00 21.21 H new ATOM 0 HD22 LEU A 75 -1.812 -1.120 -8.176 1.00 21.21 H new ATOM 0 HD23 LEU A 75 -0.424 -0.180 -8.771 1.00 21.21 H new ATOM 1084 N HIS A 76 -5.003 0.409 -6.172 1.00 73.23 N ATOM 1085 CA HIS A 76 -6.114 0.655 -5.257 1.00 44.44 C ATOM 1086 C HIS A 76 -5.746 0.245 -3.835 1.00 74.11 C ATOM 1087 O HIS A 76 -5.692 -0.945 -3.514 1.00 24.34 O ATOM 1088 CB HIS A 76 -7.358 -0.106 -5.716 1.00 60.34 C ATOM 1089 CG HIS A 76 -7.459 -0.248 -7.203 1.00 42.23 C ATOM 1090 ND1 HIS A 76 -7.736 0.810 -8.043 1.00 51.12 N ATOM 1091 CD2 HIS A 76 -7.316 -1.333 -8.001 1.00 24.30 C ATOM 1092 CE1 HIS A 76 -7.761 0.382 -9.292 1.00 1.33 C ATOM 1093 NE2 HIS A 76 -7.509 -0.915 -9.295 1.00 32.42 N ATOM 0 H HIS A 76 -4.717 -0.568 -6.235 1.00 73.23 H new ATOM 0 HA HIS A 76 -6.329 1.723 -5.263 1.00 44.44 H new ATOM 0 HB2 HIS A 76 -7.354 -1.098 -5.264 1.00 60.34 H new ATOM 0 HB3 HIS A 76 -8.245 0.409 -5.347 1.00 60.34 H new ATOM 0 HD2 HIS A 76 -7.092 -2.339 -7.680 1.00 24.30 H new ATOM 0 HE1 HIS A 76 -7.955 0.989 -10.164 1.00 1.33 H new ATOM 0 HE2 HIS A 76 -7.465 -1.509 -10.123 1.00 32.42 H new ATOM 1100 N LEU A 77 -5.494 1.234 -2.984 1.00 1.52 N ATOM 1101 CA LEU A 77 -5.132 0.976 -1.596 1.00 60.43 C ATOM 1102 C LEU A 77 -5.964 1.833 -0.647 1.00 12.21 C ATOM 1103 O LEU A 77 -5.638 2.992 -0.392 1.00 45.43 O ATOM 1104 CB LEU A 77 -3.643 1.251 -1.376 1.00 5.14 C ATOM 1105 CG LEU A 77 -3.118 2.577 -1.928 1.00 5.15 C ATOM 1106 CD1 LEU A 77 -2.173 3.233 -0.934 1.00 61.22 C ATOM 1107 CD2 LEU A 77 -2.422 2.360 -3.265 1.00 22.33 C ATOM 0 H LEU A 77 -5.534 2.223 -3.232 1.00 1.52 H new ATOM 0 HA LEU A 77 -5.337 -0.073 -1.383 1.00 60.43 H new ATOM 0 HB2 LEU A 77 -3.443 1.221 -0.305 1.00 5.14 H new ATOM 0 HB3 LEU A 77 -3.073 0.440 -1.830 1.00 5.14 H new ATOM 0 HG LEU A 77 -3.966 3.244 -2.086 1.00 5.15 H new ATOM 0 HD11 LEU A 77 -1.810 4.175 -1.345 1.00 61.22 H new ATOM 0 HD12 LEU A 77 -2.702 3.424 -0.000 1.00 61.22 H new ATOM 0 HD13 LEU A 77 -1.328 2.571 -0.743 1.00 61.22 H new ATOM 0 HD21 LEU A 77 -2.055 3.314 -3.643 1.00 22.33 H new ATOM 0 HD22 LEU A 77 -1.584 1.676 -3.132 1.00 22.33 H new ATOM 0 HD23 LEU A 77 -3.128 1.935 -3.978 1.00 22.33 H new ATOM 1118 N VAL A 78 -7.041 1.254 -0.125 1.00 53.32 N ATOM 1119 CA VAL A 78 -7.918 1.962 0.798 1.00 71.21 C ATOM 1120 C VAL A 78 -8.529 1.008 1.818 1.00 42.43 C ATOM 1121 O VAL A 78 -8.757 -0.167 1.527 1.00 62.44 O ATOM 1122 CB VAL A 78 -9.052 2.688 0.049 1.00 23.33 C ATOM 1123 CG1 VAL A 78 -9.536 3.888 0.848 1.00 21.53 C ATOM 1124 CG2 VAL A 78 -8.588 3.112 -1.336 1.00 64.12 C ATOM 0 H VAL A 78 -7.326 0.296 -0.326 1.00 53.32 H new ATOM 0 HA VAL A 78 -7.303 2.698 1.316 1.00 71.21 H new ATOM 0 HB VAL A 78 -9.888 1.998 -0.068 1.00 23.33 H new ATOM 0 HG11 VAL A 78 -10.337 4.389 0.304 1.00 21.53 H new ATOM 0 HG12 VAL A 78 -9.909 3.554 1.816 1.00 21.53 H new ATOM 0 HG13 VAL A 78 -8.710 4.583 0.998 1.00 21.53 H new ATOM 0 HG21 VAL A 78 -9.401 3.623 -1.851 1.00 64.12 H new ATOM 0 HG22 VAL A 78 -7.736 3.786 -1.244 1.00 64.12 H new ATOM 0 HG23 VAL A 78 -8.294 2.231 -1.907 1.00 64.12 H new ATOM 1134 N LEU A 79 -8.792 1.520 3.015 1.00 71.33 N ATOM 1135 CA LEU A 79 -9.378 0.714 4.081 1.00 53.35 C ATOM 1136 C LEU A 79 -10.901 0.782 4.041 1.00 73.32 C ATOM 1137 O LEU A 79 -11.485 1.866 4.076 1.00 61.25 O ATOM 1138 CB LEU A 79 -8.870 1.187 5.443 1.00 61.51 C ATOM 1139 CG LEU A 79 -9.415 0.440 6.660 1.00 35.12 C ATOM 1140 CD1 LEU A 79 -9.348 -1.063 6.439 1.00 42.44 C ATOM 1141 CD2 LEU A 79 -8.649 0.831 7.916 1.00 5.51 C ATOM 0 H LEU A 79 -8.609 2.490 3.272 1.00 71.33 H new ATOM 0 HA LEU A 79 -9.075 -0.322 3.928 1.00 53.35 H new ATOM 0 HB2 LEU A 79 -7.783 1.108 5.450 1.00 61.51 H new ATOM 0 HB3 LEU A 79 -9.113 2.244 5.552 1.00 61.51 H new ATOM 0 HG LEU A 79 -10.460 0.721 6.795 1.00 35.12 H new ATOM 0 HD11 LEU A 79 -9.740 -1.578 7.316 1.00 42.44 H new ATOM 0 HD12 LEU A 79 -9.943 -1.329 5.566 1.00 42.44 H new ATOM 0 HD13 LEU A 79 -8.312 -1.361 6.277 1.00 42.44 H new ATOM 0 HD21 LEU A 79 -9.052 0.289 8.771 1.00 5.51 H new ATOM 0 HD22 LEU A 79 -7.595 0.582 7.792 1.00 5.51 H new ATOM 0 HD23 LEU A 79 -8.751 1.903 8.085 1.00 5.51 H new ATOM 1152 N ARG A 80 -11.538 -0.382 3.969 1.00 73.53 N ATOM 1153 CA ARG A 80 -12.993 -0.454 3.927 1.00 33.43 C ATOM 1154 C ARG A 80 -13.616 0.882 4.319 1.00 22.42 C ATOM 1155 O ARG A 80 -13.561 1.287 5.482 1.00 23.34 O ATOM 1156 CB ARG A 80 -13.499 -1.558 4.858 1.00 20.33 C ATOM 1157 CG ARG A 80 -14.950 -1.941 4.618 1.00 23.52 C ATOM 1158 CD ARG A 80 -15.503 -2.774 5.764 1.00 51.30 C ATOM 1159 NE ARG A 80 -16.661 -3.565 5.357 1.00 4.32 N ATOM 1160 CZ ARG A 80 -16.573 -4.694 4.662 1.00 4.41 C ATOM 1161 NH1 ARG A 80 -15.387 -5.162 4.300 1.00 74.14 N ATOM 1162 NH2 ARG A 80 -17.673 -5.356 4.329 1.00 40.34 N ATOM 0 H ARG A 80 -11.069 -1.288 3.939 1.00 73.53 H new ATOM 0 HA ARG A 80 -13.290 -0.687 2.904 1.00 33.43 H new ATOM 0 HB2 ARG A 80 -12.874 -2.442 4.733 1.00 20.33 H new ATOM 0 HB3 ARG A 80 -13.385 -1.231 5.891 1.00 20.33 H new ATOM 0 HG2 ARG A 80 -15.551 -1.039 4.499 1.00 23.52 H new ATOM 0 HG3 ARG A 80 -15.030 -2.502 3.687 1.00 23.52 H new ATOM 0 HD2 ARG A 80 -14.724 -3.438 6.138 1.00 51.30 H new ATOM 0 HD3 ARG A 80 -15.784 -2.117 6.587 1.00 51.30 H new ATOM 0 HE ARG A 80 -17.589 -3.233 5.621 1.00 4.32 H new ATOM 0 HH11 ARG A 80 -14.539 -4.655 4.555 1.00 74.14 H new ATOM 0 HH12 ARG A 80 -15.322 -6.029 3.767 1.00 74.14 H new ATOM 0 HH21 ARG A 80 -18.587 -4.998 4.606 1.00 40.34 H new ATOM 0 HH22 ARG A 80 -17.605 -6.223 3.795 1.00 40.34 H new ATOM 1173 N LEU A 81 -14.207 1.564 3.345 1.00 15.53 N ATOM 1174 CA LEU A 81 -14.840 2.855 3.588 1.00 12.34 C ATOM 1175 C LEU A 81 -16.279 2.676 4.063 1.00 44.25 C ATOM 1176 O LEU A 81 -17.208 2.620 3.257 1.00 62.22 O ATOM 1177 CB LEU A 81 -14.814 3.705 2.316 1.00 32.11 C ATOM 1178 CG LEU A 81 -13.758 4.809 2.269 1.00 13.23 C ATOM 1179 CD1 LEU A 81 -12.461 4.334 2.903 1.00 63.34 C ATOM 1180 CD2 LEU A 81 -13.519 5.258 0.834 1.00 42.45 C ATOM 0 H LEU A 81 -14.261 1.244 2.378 1.00 15.53 H new ATOM 0 HA LEU A 81 -14.279 3.365 4.371 1.00 12.34 H new ATOM 0 HB2 LEU A 81 -14.657 3.043 1.464 1.00 32.11 H new ATOM 0 HB3 LEU A 81 -15.795 4.162 2.188 1.00 32.11 H new ATOM 0 HG LEU A 81 -14.126 5.662 2.839 1.00 13.23 H new ATOM 0 HD11 LEU A 81 -11.721 5.133 2.860 1.00 63.34 H new ATOM 0 HD12 LEU A 81 -12.642 4.063 3.943 1.00 63.34 H new ATOM 0 HD13 LEU A 81 -12.088 3.465 2.361 1.00 63.34 H new ATOM 0 HD21 LEU A 81 -12.764 6.044 0.820 1.00 42.45 H new ATOM 0 HD22 LEU A 81 -13.173 4.412 0.241 1.00 42.45 H new ATOM 0 HD23 LEU A 81 -14.449 5.640 0.413 1.00 42.45 H new