USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=15 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 35 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 GLN : amide:sc=-0.000165 X(o=-0.00016,f=0) USER MOD Single : A 8 SER OG : rot 35:sc= 0.0576 USER MOD Single : A 9 MET CE :methyl -117:sc= -1.05 (180deg=-1.84!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -39:sc= -0.956 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 49 GLN : amide:sc= -2.63 X(o=-2.6,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -76:sc= 0.589 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= -0.0709 K(o=-0.071,f=-0.76) USER MOD Single : A 70 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.66) USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= -0.399 (180deg=-0.861) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.789 17.336 -7.369 1.00 71.54 N ATOM 92 CA SER A 8 1.520 17.243 -8.627 1.00 12.12 C ATOM 93 C SER A 8 1.437 15.831 -9.198 1.00 50.53 C ATOM 94 O SER A 8 1.713 15.610 -10.378 1.00 72.43 O ATOM 95 CB SER A 8 2.983 17.639 -8.422 1.00 52.41 C ATOM 96 OG SER A 8 3.091 18.968 -7.944 1.00 13.14 O ATOM 0 HA SER A 8 1.063 17.931 -9.338 1.00 12.12 H new ATOM 0 HB2 SER A 8 3.452 16.956 -7.714 1.00 52.41 H new ATOM 0 HB3 SER A 8 3.524 17.543 -9.363 1.00 52.41 H new ATOM 0 HG SER A 8 2.338 19.163 -7.348 1.00 13.14 H new ATOM 101 N MET A 9 1.056 14.879 -8.354 1.00 54.15 N ATOM 102 CA MET A 9 0.937 13.487 -8.774 1.00 13.14 C ATOM 103 C MET A 9 -0.503 13.002 -8.644 1.00 35.15 C ATOM 104 O MET A 9 -1.157 13.240 -7.628 1.00 12.44 O ATOM 105 CB MET A 9 1.864 12.599 -7.943 1.00 12.34 C ATOM 106 CG MET A 9 2.841 13.380 -7.078 1.00 14.44 C ATOM 107 SD MET A 9 4.106 14.222 -8.049 1.00 30.21 S ATOM 108 CE MET A 9 5.413 12.997 -8.035 1.00 43.11 C ATOM 0 H MET A 9 0.824 15.045 -7.375 1.00 54.15 H new ATOM 0 HA MET A 9 1.230 13.424 -9.822 1.00 13.14 H new ATOM 0 HB2 MET A 9 1.260 11.955 -7.304 1.00 12.34 H new ATOM 0 HB3 MET A 9 2.425 11.947 -8.612 1.00 12.34 H new ATOM 0 HG2 MET A 9 2.292 14.114 -6.488 1.00 14.44 H new ATOM 0 HG3 MET A 9 3.321 12.700 -6.374 1.00 14.44 H new ATOM 0 HE1 MET A 9 6.286 13.402 -7.524 1.00 43.11 H new ATOM 0 HE2 MET A 9 5.069 12.104 -7.513 1.00 43.11 H new ATOM 0 HE3 MET A 9 5.680 12.738 -9.060 1.00 43.11 H new ATOM 116 N GLN A 10 -0.990 12.321 -9.676 1.00 5.04 N ATOM 117 CA GLN A 10 -2.354 11.804 -9.676 1.00 62.33 C ATOM 118 C GLN A 10 -2.372 10.318 -10.017 1.00 53.42 C ATOM 119 O GLN A 10 -1.569 9.846 -10.823 1.00 71.25 O ATOM 120 CB GLN A 10 -3.216 12.579 -10.674 1.00 70.23 C ATOM 121 CG GLN A 10 -3.222 14.080 -10.436 1.00 30.32 C ATOM 122 CD GLN A 10 -3.224 14.876 -11.726 1.00 40.13 C ATOM 123 OE1 GLN A 10 -4.134 14.751 -12.544 1.00 2.24 O ATOM 124 NE2 GLN A 10 -2.200 15.701 -11.915 1.00 73.34 N ATOM 0 H GLN A 10 -0.461 12.114 -10.523 1.00 5.04 H new ATOM 0 HA GLN A 10 -2.765 11.934 -8.675 1.00 62.33 H new ATOM 0 HB2 GLN A 10 -2.855 12.381 -11.683 1.00 70.23 H new ATOM 0 HB3 GLN A 10 -4.239 12.207 -10.623 1.00 70.23 H new ATOM 0 HG2 GLN A 10 -4.100 14.347 -9.848 1.00 30.32 H new ATOM 0 HG3 GLN A 10 -2.347 14.354 -9.846 1.00 30.32 H new ATOM 0 HE21 GLN A 10 -1.467 15.773 -11.210 1.00 73.34 H new ATOM 0 HE22 GLN A 10 -2.147 16.262 -12.765 1.00 73.34 H new ATOM 131 N ILE A 11 -3.292 9.585 -9.398 1.00 3.24 N ATOM 132 CA ILE A 11 -3.415 8.153 -9.637 1.00 43.30 C ATOM 133 C ILE A 11 -4.866 7.699 -9.522 1.00 41.11 C ATOM 134 O ILE A 11 -5.736 8.462 -9.103 1.00 61.40 O ATOM 135 CB ILE A 11 -2.555 7.342 -8.650 1.00 52.51 C ATOM 136 CG1 ILE A 11 -1.892 6.164 -9.366 1.00 64.13 C ATOM 137 CG2 ILE A 11 -3.404 6.851 -7.487 1.00 31.43 C ATOM 138 CD1 ILE A 11 -0.983 5.348 -8.472 1.00 4.21 C ATOM 0 H ILE A 11 -3.963 9.960 -8.727 1.00 3.24 H new ATOM 0 HA ILE A 11 -3.059 7.971 -10.651 1.00 43.30 H new ATOM 0 HB ILE A 11 -1.773 7.990 -8.255 1.00 52.51 H new ATOM 0 HG12 ILE A 11 -2.667 5.514 -9.773 1.00 64.13 H new ATOM 0 HG13 ILE A 11 -1.315 6.541 -10.211 1.00 64.13 H new ATOM 0 HG21 ILE A 11 -2.782 6.280 -6.798 1.00 31.43 H new ATOM 0 HG22 ILE A 11 -3.834 7.705 -6.964 1.00 31.43 H new ATOM 0 HG23 ILE A 11 -4.205 6.216 -7.864 1.00 31.43 H new ATOM 0 HD11 ILE A 11 -0.547 4.530 -9.046 1.00 4.21 H new ATOM 0 HD12 ILE A 11 -0.187 5.984 -8.085 1.00 4.21 H new ATOM 0 HD13 ILE A 11 -1.559 4.942 -7.641 1.00 4.21 H new ATOM 149 N PHE A 12 -5.121 6.449 -9.896 1.00 42.04 N ATOM 150 CA PHE A 12 -6.466 5.891 -9.834 1.00 35.10 C ATOM 151 C PHE A 12 -6.589 4.892 -8.688 1.00 52.23 C ATOM 152 O PHE A 12 -5.824 3.930 -8.603 1.00 61.43 O ATOM 153 CB PHE A 12 -6.822 5.212 -11.158 1.00 63.20 C ATOM 154 CG PHE A 12 -7.956 5.875 -11.886 1.00 62.41 C ATOM 155 CD1 PHE A 12 -7.774 7.099 -12.512 1.00 75.00 C ATOM 156 CD2 PHE A 12 -9.203 5.277 -11.945 1.00 15.50 C ATOM 157 CE1 PHE A 12 -8.816 7.712 -13.182 1.00 55.21 C ATOM 158 CE2 PHE A 12 -10.250 5.884 -12.614 1.00 62.34 C ATOM 159 CZ PHE A 12 -10.055 7.103 -13.234 1.00 50.32 C ATOM 0 H PHE A 12 -4.413 5.803 -10.245 1.00 42.04 H new ATOM 0 HA PHE A 12 -7.163 6.710 -9.655 1.00 35.10 H new ATOM 0 HB2 PHE A 12 -5.942 5.205 -11.802 1.00 63.20 H new ATOM 0 HB3 PHE A 12 -7.084 4.172 -10.965 1.00 63.20 H new ATOM 0 HD1 PHE A 12 -6.807 7.579 -12.476 1.00 75.00 H new ATOM 0 HD2 PHE A 12 -9.360 4.324 -11.462 1.00 15.50 H new ATOM 0 HE1 PHE A 12 -8.662 8.666 -13.664 1.00 55.21 H new ATOM 0 HE2 PHE A 12 -11.218 5.406 -12.652 1.00 62.34 H new ATOM 0 HZ PHE A 12 -10.870 7.579 -13.759 1.00 50.32 H new ATOM 168 N VAL A 13 -7.556 5.125 -7.807 1.00 34.13 N ATOM 169 CA VAL A 13 -7.781 4.245 -6.666 1.00 2.04 C ATOM 170 C VAL A 13 -9.248 3.848 -6.558 1.00 14.31 C ATOM 171 O VAL A 13 -10.140 4.691 -6.662 1.00 55.43 O ATOM 172 CB VAL A 13 -7.342 4.911 -5.349 1.00 21.21 C ATOM 173 CG1 VAL A 13 -7.395 3.914 -4.202 1.00 33.15 C ATOM 174 CG2 VAL A 13 -5.946 5.500 -5.489 1.00 33.41 C ATOM 0 H VAL A 13 -8.197 5.917 -7.861 1.00 34.13 H new ATOM 0 HA VAL A 13 -7.178 3.352 -6.832 1.00 2.04 H new ATOM 0 HB VAL A 13 -8.034 5.723 -5.125 1.00 21.21 H new ATOM 0 HG11 VAL A 13 -7.081 4.403 -3.280 1.00 33.15 H new ATOM 0 HG12 VAL A 13 -8.414 3.544 -4.088 1.00 33.15 H new ATOM 0 HG13 VAL A 13 -6.728 3.079 -4.415 1.00 33.15 H new ATOM 0 HG21 VAL A 13 -5.652 5.967 -4.549 1.00 33.41 H new ATOM 0 HG22 VAL A 13 -5.240 4.708 -5.737 1.00 33.41 H new ATOM 0 HG23 VAL A 13 -5.945 6.248 -6.281 1.00 33.41 H new ATOM 184 N LYS A 14 -9.493 2.559 -6.349 1.00 51.31 N ATOM 185 CA LYS A 14 -10.853 2.048 -6.225 1.00 72.20 C ATOM 186 C LYS A 14 -11.068 1.396 -4.863 1.00 65.55 C ATOM 187 O LYS A 14 -10.402 0.419 -4.519 1.00 53.44 O ATOM 188 CB LYS A 14 -11.145 1.039 -7.336 1.00 4.20 C ATOM 189 CG LYS A 14 -11.585 1.680 -8.641 1.00 12.13 C ATOM 190 CD LYS A 14 -13.064 2.031 -8.618 1.00 2.15 C ATOM 191 CE LYS A 14 -13.391 3.127 -9.621 1.00 11.11 C ATOM 192 NZ LYS A 14 -13.571 2.586 -10.996 1.00 1.21 N ATOM 0 H LYS A 14 -8.767 1.848 -6.262 1.00 51.31 H new ATOM 0 HA LYS A 14 -11.539 2.890 -6.318 1.00 72.20 H new ATOM 0 HB2 LYS A 14 -10.251 0.443 -7.517 1.00 4.20 H new ATOM 0 HB3 LYS A 14 -11.922 0.354 -6.998 1.00 4.20 H new ATOM 0 HG2 LYS A 14 -10.999 2.581 -8.821 1.00 12.13 H new ATOM 0 HG3 LYS A 14 -11.384 0.999 -9.468 1.00 12.13 H new ATOM 0 HD2 LYS A 14 -13.654 1.142 -8.843 1.00 2.15 H new ATOM 0 HD3 LYS A 14 -13.347 2.356 -7.617 1.00 2.15 H new ATOM 0 HE2 LYS A 14 -14.300 3.642 -9.312 1.00 11.11 H new ATOM 0 HE3 LYS A 14 -12.591 3.867 -9.624 1.00 11.11 H new ATOM 0 HZ1 LYS A 14 -13.792 3.364 -11.649 1.00 1.21 H new ATOM 0 HZ2 LYS A 14 -12.695 2.116 -11.302 1.00 1.21 H new ATOM 0 HZ3 LYS A 14 -14.352 1.899 -10.999 1.00 1.21 H new ATOM 202 N THR A 15 -12.002 1.942 -4.089 1.00 3.11 N ATOM 203 CA THR A 15 -12.303 1.413 -2.765 1.00 11.03 C ATOM 204 C THR A 15 -13.157 0.154 -2.858 1.00 50.40 C ATOM 205 O THR A 15 -13.482 -0.310 -3.952 1.00 44.24 O ATOM 206 CB THR A 15 -13.036 2.454 -1.899 1.00 14.11 C ATOM 207 OG1 THR A 15 -14.381 2.620 -2.364 1.00 70.04 O ATOM 208 CG2 THR A 15 -12.314 3.792 -1.932 1.00 4.42 C ATOM 0 H THR A 15 -12.563 2.751 -4.357 1.00 3.11 H new ATOM 0 HA THR A 15 -11.349 1.168 -2.297 1.00 11.03 H new ATOM 0 HB THR A 15 -13.050 2.092 -0.871 1.00 14.11 H new ATOM 0 HG1 THR A 15 -14.394 2.596 -3.344 1.00 70.04 H new ATOM 0 HG21 THR A 15 -12.851 4.511 -1.313 1.00 4.42 H new ATOM 0 HG22 THR A 15 -11.301 3.668 -1.549 1.00 4.42 H new ATOM 0 HG23 THR A 15 -12.272 4.157 -2.958 1.00 4.42 H new ATOM 216 N LEU A 16 -13.518 -0.397 -1.704 1.00 63.21 N ATOM 217 CA LEU A 16 -14.336 -1.604 -1.654 1.00 4.21 C ATOM 218 C LEU A 16 -15.799 -1.283 -1.944 1.00 42.21 C ATOM 219 O LEU A 16 -16.522 -2.097 -2.519 1.00 13.11 O ATOM 220 CB LEU A 16 -14.210 -2.273 -0.285 1.00 22.21 C ATOM 221 CG LEU A 16 -12.786 -2.533 0.207 1.00 2.05 C ATOM 222 CD1 LEU A 16 -12.312 -1.393 1.095 1.00 51.25 C ATOM 223 CD2 LEU A 16 -12.712 -3.857 0.952 1.00 73.15 C ATOM 0 H LEU A 16 -13.257 -0.027 -0.790 1.00 63.21 H new ATOM 0 HA LEU A 16 -13.975 -2.290 -2.421 1.00 4.21 H new ATOM 0 HB2 LEU A 16 -14.719 -1.649 0.450 1.00 22.21 H new ATOM 0 HB3 LEU A 16 -14.741 -3.224 -0.318 1.00 22.21 H new ATOM 0 HG LEU A 16 -12.128 -2.590 -0.660 1.00 2.05 H new ATOM 0 HD11 LEU A 16 -11.297 -1.595 1.436 1.00 51.25 H new ATOM 0 HD12 LEU A 16 -12.326 -0.461 0.529 1.00 51.25 H new ATOM 0 HD13 LEU A 16 -12.973 -1.304 1.957 1.00 51.25 H new ATOM 0 HD21 LEU A 16 -11.691 -4.025 1.295 1.00 73.15 H new ATOM 0 HD22 LEU A 16 -13.383 -3.829 1.811 1.00 73.15 H new ATOM 0 HD23 LEU A 16 -13.009 -4.667 0.285 1.00 73.15 H new ATOM 234 N THR A 17 -16.228 -0.090 -1.544 1.00 40.24 N ATOM 235 CA THR A 17 -17.604 0.339 -1.762 1.00 63.11 C ATOM 236 C THR A 17 -17.793 0.886 -3.172 1.00 62.43 C ATOM 237 O THR A 17 -18.871 0.773 -3.753 1.00 43.53 O ATOM 238 CB THR A 17 -18.022 1.417 -0.744 1.00 13.03 C ATOM 239 OG1 THR A 17 -19.442 1.606 -0.787 1.00 65.11 O ATOM 240 CG2 THR A 17 -17.323 2.737 -1.034 1.00 43.34 C ATOM 0 H THR A 17 -15.643 0.596 -1.068 1.00 40.24 H new ATOM 0 HA THR A 17 -18.235 -0.540 -1.630 1.00 63.11 H new ATOM 0 HB THR A 17 -17.729 1.079 0.250 1.00 13.03 H new ATOM 0 HG1 THR A 17 -19.701 2.292 -0.136 1.00 65.11 H new ATOM 0 HG21 THR A 17 -17.634 3.482 -0.302 1.00 43.34 H new ATOM 0 HG22 THR A 17 -16.244 2.598 -0.974 1.00 43.34 H new ATOM 0 HG23 THR A 17 -17.590 3.078 -2.034 1.00 43.34 H new ATOM 248 N GLY A 18 -16.736 1.482 -3.717 1.00 0.31 N ATOM 249 CA GLY A 18 -16.806 2.037 -5.057 1.00 75.32 C ATOM 250 C GLY A 18 -16.302 3.465 -5.118 1.00 21.14 C ATOM 251 O GLY A 18 -16.183 4.043 -6.200 1.00 73.41 O ATOM 0 H GLY A 18 -15.833 1.590 -3.255 1.00 0.31 H new ATOM 0 HA2 GLY A 18 -16.218 1.418 -5.735 1.00 75.32 H new ATOM 0 HA3 GLY A 18 -17.837 2.003 -5.408 1.00 75.32 H new ATOM 255 N LYS A 19 -16.005 4.038 -3.957 1.00 53.15 N ATOM 256 CA LYS A 19 -15.511 5.407 -3.882 1.00 41.00 C ATOM 257 C LYS A 19 -14.174 5.543 -4.604 1.00 72.34 C ATOM 258 O LYS A 19 -13.392 4.595 -4.667 1.00 45.02 O ATOM 259 CB LYS A 19 -15.360 5.838 -2.421 1.00 11.44 C ATOM 260 CG LYS A 19 -16.083 7.133 -2.091 1.00 44.12 C ATOM 261 CD LYS A 19 -17.588 6.981 -2.230 1.00 34.34 C ATOM 262 CE LYS A 19 -18.256 6.782 -0.877 1.00 3.22 C ATOM 263 NZ LYS A 19 -19.536 7.535 -0.774 1.00 54.45 N ATOM 0 H LYS A 19 -16.098 3.574 -3.053 1.00 53.15 H new ATOM 0 HA LYS A 19 -16.237 6.056 -4.372 1.00 41.00 H new ATOM 0 HB2 LYS A 19 -15.739 5.045 -1.776 1.00 11.44 H new ATOM 0 HB3 LYS A 19 -14.301 5.955 -2.193 1.00 11.44 H new ATOM 0 HG2 LYS A 19 -15.839 7.438 -1.073 1.00 44.12 H new ATOM 0 HG3 LYS A 19 -15.733 7.925 -2.753 1.00 44.12 H new ATOM 0 HD2 LYS A 19 -18.001 7.866 -2.714 1.00 34.34 H new ATOM 0 HD3 LYS A 19 -17.811 6.131 -2.875 1.00 34.34 H new ATOM 0 HE2 LYS A 19 -18.446 5.720 -0.718 1.00 3.22 H new ATOM 0 HE3 LYS A 19 -17.579 7.107 -0.087 1.00 3.22 H new ATOM 0 HZ1 LYS A 19 -19.960 7.373 0.162 1.00 54.45 H new ATOM 0 HZ2 LYS A 19 -19.352 8.551 -0.900 1.00 54.45 H new ATOM 0 HZ3 LYS A 19 -20.192 7.208 -1.512 1.00 54.45 H new ATOM 273 N THR A 20 -13.917 6.730 -5.146 1.00 54.23 N ATOM 274 CA THR A 20 -12.675 6.990 -5.862 1.00 23.13 C ATOM 275 C THR A 20 -11.890 8.122 -5.209 1.00 32.23 C ATOM 276 O THR A 20 -12.429 9.202 -4.962 1.00 0.32 O ATOM 277 CB THR A 20 -12.941 7.349 -7.336 1.00 64.54 C ATOM 278 OG1 THR A 20 -14.311 7.728 -7.509 1.00 72.23 O ATOM 279 CG2 THR A 20 -12.616 6.174 -8.246 1.00 30.33 C ATOM 0 H THR A 20 -14.553 7.526 -5.102 1.00 54.23 H new ATOM 0 HA THR A 20 -12.088 6.073 -5.819 1.00 23.13 H new ATOM 0 HB THR A 20 -12.297 8.186 -7.605 1.00 64.54 H new ATOM 0 HG1 THR A 20 -14.471 7.956 -8.448 1.00 72.23 H new ATOM 0 HG21 THR A 20 -12.812 6.451 -9.282 1.00 30.33 H new ATOM 0 HG22 THR A 20 -11.565 5.907 -8.134 1.00 30.33 H new ATOM 0 HG23 THR A 20 -13.238 5.321 -7.975 1.00 30.33 H new ATOM 287 N ILE A 21 -10.616 7.869 -4.931 1.00 43.33 N ATOM 288 CA ILE A 21 -9.757 8.868 -4.308 1.00 62.45 C ATOM 289 C ILE A 21 -8.426 8.984 -5.042 1.00 43.25 C ATOM 290 O ILE A 21 -7.807 7.978 -5.395 1.00 75.43 O ATOM 291 CB ILE A 21 -9.487 8.536 -2.828 1.00 41.51 C ATOM 292 CG1 ILE A 21 -8.998 7.092 -2.689 1.00 10.10 C ATOM 293 CG2 ILE A 21 -10.743 8.757 -1.998 1.00 62.41 C ATOM 294 CD1 ILE A 21 -10.119 6.084 -2.563 1.00 43.30 C ATOM 0 H ILE A 21 -10.156 6.980 -5.127 1.00 43.33 H new ATOM 0 HA ILE A 21 -10.286 9.819 -4.368 1.00 62.45 H new ATOM 0 HB ILE A 21 -8.708 9.202 -2.457 1.00 41.51 H new ATOM 0 HG12 ILE A 21 -8.388 6.838 -3.556 1.00 10.10 H new ATOM 0 HG13 ILE A 21 -8.353 7.018 -1.813 1.00 10.10 H new ATOM 0 HG21 ILE A 21 -10.536 8.518 -0.955 1.00 62.41 H new ATOM 0 HG22 ILE A 21 -11.053 9.799 -2.077 1.00 62.41 H new ATOM 0 HG23 ILE A 21 -11.541 8.112 -2.367 1.00 62.41 H new ATOM 0 HD11 ILE A 21 -9.699 5.083 -2.468 1.00 43.30 H new ATOM 0 HD12 ILE A 21 -10.716 6.312 -1.680 1.00 43.30 H new ATOM 0 HD13 ILE A 21 -10.751 6.130 -3.450 1.00 43.30 H new ATOM 305 N THR A 22 -7.986 10.218 -5.269 1.00 0.34 N ATOM 306 CA THR A 22 -6.728 10.465 -5.961 1.00 23.44 C ATOM 307 C THR A 22 -5.541 10.293 -5.021 1.00 2.23 C ATOM 308 O THR A 22 -5.583 10.721 -3.867 1.00 63.01 O ATOM 309 CB THR A 22 -6.689 11.882 -6.566 1.00 62.31 C ATOM 310 OG1 THR A 22 -8.014 12.309 -6.902 1.00 71.25 O ATOM 311 CG2 THR A 22 -5.809 11.917 -7.807 1.00 75.21 C ATOM 0 H THR A 22 -8.483 11.062 -4.983 1.00 0.34 H new ATOM 0 HA THR A 22 -6.660 9.732 -6.765 1.00 23.44 H new ATOM 0 HB THR A 22 -6.268 12.559 -5.822 1.00 62.31 H new ATOM 0 HG1 THR A 22 -7.980 13.211 -7.284 1.00 71.25 H new ATOM 0 HG21 THR A 22 -5.797 12.927 -8.216 1.00 75.21 H new ATOM 0 HG22 THR A 22 -4.794 11.621 -7.542 1.00 75.21 H new ATOM 0 HG23 THR A 22 -6.205 11.228 -8.553 1.00 75.21 H new ATOM 319 N LEU A 23 -4.482 9.665 -5.521 1.00 3.13 N ATOM 320 CA LEU A 23 -3.281 9.436 -4.726 1.00 31.44 C ATOM 321 C LEU A 23 -2.026 9.763 -5.529 1.00 61.22 C ATOM 322 O LEU A 23 -2.050 9.772 -6.759 1.00 74.24 O ATOM 323 CB LEU A 23 -3.232 7.984 -4.247 1.00 23.53 C ATOM 324 CG LEU A 23 -3.784 7.722 -2.845 1.00 43.23 C ATOM 325 CD1 LEU A 23 -5.270 7.407 -2.907 1.00 31.34 C ATOM 326 CD2 LEU A 23 -3.023 6.584 -2.178 1.00 32.23 C ATOM 0 H LEU A 23 -4.431 9.305 -6.474 1.00 3.13 H new ATOM 0 HA LEU A 23 -3.317 10.096 -3.859 1.00 31.44 H new ATOM 0 HB2 LEU A 23 -3.788 7.370 -4.955 1.00 23.53 H new ATOM 0 HB3 LEU A 23 -2.196 7.647 -4.277 1.00 23.53 H new ATOM 0 HG LEU A 23 -3.650 8.623 -2.247 1.00 43.23 H new ATOM 0 HD11 LEU A 23 -5.645 7.223 -1.900 1.00 31.34 H new ATOM 0 HD12 LEU A 23 -5.803 8.251 -3.345 1.00 31.34 H new ATOM 0 HD13 LEU A 23 -5.429 6.520 -3.521 1.00 31.34 H new ATOM 0 HD21 LEU A 23 -3.428 6.410 -1.181 1.00 32.23 H new ATOM 0 HD22 LEU A 23 -3.127 5.678 -2.775 1.00 32.23 H new ATOM 0 HD23 LEU A 23 -1.968 6.848 -2.100 1.00 32.23 H new ATOM 337 N GLU A 24 -0.930 10.027 -4.823 1.00 14.24 N ATOM 338 CA GLU A 24 0.335 10.352 -5.471 1.00 15.13 C ATOM 339 C GLU A 24 1.269 9.145 -5.476 1.00 64.22 C ATOM 340 O GLU A 24 1.195 8.285 -4.598 1.00 12.10 O ATOM 341 CB GLU A 24 1.008 11.529 -4.764 1.00 22.43 C ATOM 342 CG GLU A 24 1.357 11.249 -3.312 1.00 53.22 C ATOM 343 CD GLU A 24 2.763 11.688 -2.954 1.00 74.31 C ATOM 344 OE1 GLU A 24 3.723 11.132 -3.526 1.00 53.42 O ATOM 345 OE2 GLU A 24 2.903 12.589 -2.101 1.00 61.41 O ATOM 0 H GLU A 24 -0.893 10.022 -3.804 1.00 14.24 H new ATOM 0 HA GLU A 24 0.124 10.631 -6.503 1.00 15.13 H new ATOM 0 HB2 GLU A 24 1.918 11.793 -5.303 1.00 22.43 H new ATOM 0 HB3 GLU A 24 0.348 12.395 -4.810 1.00 22.43 H new ATOM 0 HG2 GLU A 24 0.645 11.762 -2.666 1.00 53.22 H new ATOM 0 HG3 GLU A 24 1.253 10.182 -3.117 1.00 53.22 H new ATOM 350 N VAL A 25 2.148 9.089 -6.472 1.00 72.34 N ATOM 351 CA VAL A 25 3.098 7.988 -6.591 1.00 60.42 C ATOM 352 C VAL A 25 4.462 8.488 -7.054 1.00 31.14 C ATOM 353 O VAL A 25 4.554 9.434 -7.837 1.00 74.52 O ATOM 354 CB VAL A 25 2.594 6.917 -7.576 1.00 51.42 C ATOM 355 CG1 VAL A 25 1.684 5.926 -6.867 1.00 14.22 C ATOM 356 CG2 VAL A 25 1.877 7.567 -8.749 1.00 41.02 C ATOM 0 H VAL A 25 2.222 9.792 -7.207 1.00 72.34 H new ATOM 0 HA VAL A 25 3.194 7.543 -5.601 1.00 60.42 H new ATOM 0 HB VAL A 25 3.454 6.371 -7.963 1.00 51.42 H new ATOM 0 HG11 VAL A 25 1.337 5.177 -7.579 1.00 14.22 H new ATOM 0 HG12 VAL A 25 2.235 5.436 -6.064 1.00 14.22 H new ATOM 0 HG13 VAL A 25 0.826 6.454 -6.450 1.00 14.22 H new ATOM 0 HG21 VAL A 25 1.528 6.795 -9.435 1.00 41.02 H new ATOM 0 HG22 VAL A 25 1.025 8.140 -8.383 1.00 41.02 H new ATOM 0 HG23 VAL A 25 2.564 8.233 -9.272 1.00 41.02 H new ATOM 366 N GLU A 26 5.519 7.845 -6.566 1.00 15.45 N ATOM 367 CA GLU A 26 6.878 8.225 -6.931 1.00 33.31 C ATOM 368 C GLU A 26 7.850 7.077 -6.677 1.00 11.31 C ATOM 369 O GLU A 26 7.673 6.270 -5.765 1.00 54.35 O ATOM 370 CB GLU A 26 7.314 9.461 -6.142 1.00 63.42 C ATOM 371 CG GLU A 26 7.666 10.651 -7.020 1.00 61.35 C ATOM 372 CD GLU A 26 9.126 11.046 -6.909 1.00 33.24 C ATOM 373 OE1 GLU A 26 9.698 10.901 -5.808 1.00 43.31 O ATOM 374 OE2 GLU A 26 9.695 11.501 -7.923 1.00 61.51 O ATOM 0 H GLU A 26 5.460 7.060 -5.918 1.00 15.45 H new ATOM 0 HA GLU A 26 6.890 8.459 -7.995 1.00 33.31 H new ATOM 0 HB2 GLU A 26 6.513 9.748 -5.460 1.00 63.42 H new ATOM 0 HB3 GLU A 26 8.178 9.204 -5.529 1.00 63.42 H new ATOM 0 HG2 GLU A 26 7.436 10.412 -8.058 1.00 61.35 H new ATOM 0 HG3 GLU A 26 7.042 11.500 -6.742 1.00 61.35 H new ATOM 379 N PRO A 27 8.904 7.000 -7.505 1.00 74.23 N ATOM 380 CA PRO A 27 9.925 5.956 -7.390 1.00 54.44 C ATOM 381 C PRO A 27 10.790 6.123 -6.146 1.00 3.11 C ATOM 382 O PRO A 27 11.386 5.163 -5.657 1.00 1.41 O ATOM 383 CB PRO A 27 10.766 6.143 -8.656 1.00 54.35 C ATOM 384 CG PRO A 27 10.580 7.573 -9.026 1.00 41.43 C ATOM 385 CD PRO A 27 9.178 7.928 -8.614 1.00 24.11 C ATOM 0 HA PRO A 27 9.484 4.964 -7.296 1.00 54.44 H new ATOM 0 HB2 PRO A 27 11.816 5.915 -8.471 1.00 54.35 H new ATOM 0 HB3 PRO A 27 10.432 5.481 -9.455 1.00 54.35 H new ATOM 0 HG2 PRO A 27 11.308 8.205 -8.518 1.00 41.43 H new ATOM 0 HG3 PRO A 27 10.721 7.721 -10.097 1.00 41.43 H new ATOM 0 HD2 PRO A 27 9.104 8.968 -8.296 1.00 24.11 H new ATOM 0 HD3 PRO A 27 8.472 7.794 -9.434 1.00 24.11 H new ATOM 390 N SER A 28 10.854 7.350 -5.637 1.00 52.32 N ATOM 391 CA SER A 28 11.650 7.644 -4.450 1.00 50.40 C ATOM 392 C SER A 28 10.751 7.929 -3.251 1.00 72.11 C ATOM 393 O SER A 28 11.223 8.037 -2.118 1.00 4.24 O ATOM 394 CB SER A 28 12.568 8.840 -4.710 1.00 32.33 C ATOM 395 OG SER A 28 13.928 8.490 -4.518 1.00 12.20 O ATOM 0 H SER A 28 10.365 8.155 -6.027 1.00 52.32 H new ATOM 0 HA SER A 28 12.260 6.769 -4.225 1.00 50.40 H new ATOM 0 HB2 SER A 28 12.422 9.200 -5.728 1.00 32.33 H new ATOM 0 HB3 SER A 28 12.302 9.659 -4.041 1.00 32.33 H new ATOM 0 HG SER A 28 14.494 9.271 -4.692 1.00 12.20 H new ATOM 400 N ASP A 29 9.453 8.049 -3.508 1.00 72.10 N ATOM 401 CA ASP A 29 8.487 8.321 -2.450 1.00 11.15 C ATOM 402 C ASP A 29 7.626 7.092 -2.171 1.00 2.23 C ATOM 403 O ASP A 29 6.941 6.586 -3.060 1.00 12.24 O ATOM 404 CB ASP A 29 7.597 9.505 -2.834 1.00 23.23 C ATOM 405 CG ASP A 29 8.398 10.691 -3.335 1.00 71.31 C ATOM 406 OD1 ASP A 29 9.604 10.767 -3.023 1.00 44.23 O ATOM 407 OD2 ASP A 29 7.817 11.545 -4.038 1.00 52.11 O ATOM 0 H ASP A 29 9.046 7.962 -4.439 1.00 72.10 H new ATOM 0 HA ASP A 29 9.039 8.570 -1.544 1.00 11.15 H new ATOM 0 HB2 ASP A 29 6.894 9.192 -3.606 1.00 23.23 H new ATOM 0 HB3 ASP A 29 7.007 9.808 -1.969 1.00 23.23 H new ATOM 411 N THR A 30 7.668 6.617 -0.930 1.00 14.44 N ATOM 412 CA THR A 30 6.894 5.446 -0.535 1.00 0.32 C ATOM 413 C THR A 30 5.466 5.830 -0.166 1.00 32.22 C ATOM 414 O THR A 30 5.129 7.012 -0.093 1.00 25.33 O ATOM 415 CB THR A 30 7.543 4.721 0.659 1.00 0.54 C ATOM 416 OG1 THR A 30 7.548 5.575 1.808 1.00 2.12 O ATOM 417 CG2 THR A 30 8.966 4.301 0.327 1.00 45.24 C ATOM 0 H THR A 30 8.229 7.024 -0.182 1.00 14.44 H new ATOM 0 HA THR A 30 6.877 4.774 -1.393 1.00 0.32 H new ATOM 0 HB THR A 30 6.958 3.827 0.875 1.00 0.54 H new ATOM 0 HG1 THR A 30 7.961 5.106 2.563 1.00 2.12 H new ATOM 0 HG21 THR A 30 9.404 3.791 1.185 1.00 45.24 H new ATOM 0 HG22 THR A 30 8.956 3.627 -0.530 1.00 45.24 H new ATOM 0 HG23 THR A 30 9.559 5.183 0.087 1.00 45.24 H new ATOM 425 N ILE A 31 4.629 4.824 0.067 1.00 12.15 N ATOM 426 CA ILE A 31 3.237 5.058 0.430 1.00 53.43 C ATOM 427 C ILE A 31 3.133 5.936 1.673 1.00 44.31 C ATOM 428 O ILE A 31 2.119 6.598 1.893 1.00 71.35 O ATOM 429 CB ILE A 31 2.492 3.735 0.687 1.00 51.22 C ATOM 430 CG1 ILE A 31 2.754 2.747 -0.452 1.00 11.41 C ATOM 431 CG2 ILE A 31 1.001 3.988 0.844 1.00 55.21 C ATOM 432 CD1 ILE A 31 2.607 3.359 -1.827 1.00 11.53 C ATOM 0 H ILE A 31 4.891 3.840 0.011 1.00 12.15 H new ATOM 0 HA ILE A 31 2.773 5.569 -0.413 1.00 53.43 H new ATOM 0 HB ILE A 31 2.866 3.299 1.614 1.00 51.22 H new ATOM 0 HG12 ILE A 31 3.761 2.344 -0.348 1.00 11.41 H new ATOM 0 HG13 ILE A 31 2.064 1.908 -0.361 1.00 11.41 H new ATOM 0 HG21 ILE A 31 0.489 3.043 1.025 1.00 55.21 H new ATOM 0 HG22 ILE A 31 0.833 4.659 1.686 1.00 55.21 H new ATOM 0 HG23 ILE A 31 0.611 4.443 -0.066 1.00 55.21 H new ATOM 0 HD11 ILE A 31 2.807 2.602 -2.585 1.00 11.53 H new ATOM 0 HD12 ILE A 31 1.592 3.737 -1.950 1.00 11.53 H new ATOM 0 HD13 ILE A 31 3.316 4.180 -1.938 1.00 11.53 H new ATOM 443 N GLU A 32 4.189 5.937 2.480 1.00 2.25 N ATOM 444 CA GLU A 32 4.216 6.735 3.700 1.00 63.22 C ATOM 445 C GLU A 32 3.827 8.182 3.412 1.00 32.30 C ATOM 446 O GLU A 32 2.949 8.742 4.067 1.00 52.33 O ATOM 447 CB GLU A 32 5.607 6.687 4.336 1.00 70.43 C ATOM 448 CG GLU A 32 5.740 7.557 5.574 1.00 70.24 C ATOM 449 CD GLU A 32 6.880 7.119 6.475 1.00 30.13 C ATOM 450 OE1 GLU A 32 7.507 6.082 6.176 1.00 51.42 O ATOM 451 OE2 GLU A 32 7.143 7.814 7.479 1.00 44.40 O ATOM 0 H GLU A 32 5.036 5.395 2.311 1.00 2.25 H new ATOM 0 HA GLU A 32 3.491 6.313 4.396 1.00 63.22 H new ATOM 0 HB2 GLU A 32 5.841 5.656 4.600 1.00 70.43 H new ATOM 0 HB3 GLU A 32 6.345 7.003 3.599 1.00 70.43 H new ATOM 0 HG2 GLU A 32 5.898 8.592 5.271 1.00 70.24 H new ATOM 0 HG3 GLU A 32 4.806 7.529 6.136 1.00 70.24 H new ATOM 456 N ASN A 33 4.489 8.783 2.428 1.00 43.24 N ATOM 457 CA ASN A 33 4.214 10.165 2.053 1.00 71.34 C ATOM 458 C ASN A 33 2.941 10.259 1.218 1.00 13.21 C ATOM 459 O ASN A 33 2.224 11.258 1.270 1.00 32.35 O ATOM 460 CB ASN A 33 5.394 10.749 1.273 1.00 13.22 C ATOM 461 CG ASN A 33 6.526 11.188 2.180 1.00 44.23 C ATOM 462 OD1 ASN A 33 6.451 12.234 2.824 1.00 31.24 O ATOM 463 ND2 ASN A 33 7.584 10.387 2.235 1.00 44.24 N ATOM 0 H ASN A 33 5.220 8.334 1.876 1.00 43.24 H new ATOM 0 HA ASN A 33 4.071 10.741 2.967 1.00 71.34 H new ATOM 0 HB2 ASN A 33 5.765 10.004 0.569 1.00 13.22 H new ATOM 0 HB3 ASN A 33 5.052 11.601 0.685 1.00 13.22 H new ATOM 0 HD21 ASN A 33 8.377 10.630 2.829 1.00 44.24 H new ATOM 0 HD22 ASN A 33 7.603 9.529 1.684 1.00 44.24 H new ATOM 469 N VAL A 34 2.665 9.210 0.449 1.00 24.34 N ATOM 470 CA VAL A 34 1.478 9.173 -0.396 1.00 3.25 C ATOM 471 C VAL A 34 0.208 9.313 0.434 1.00 34.24 C ATOM 472 O VAL A 34 -0.781 9.895 -0.014 1.00 2.12 O ATOM 473 CB VAL A 34 1.406 7.865 -1.207 1.00 24.41 C ATOM 474 CG1 VAL A 34 0.100 7.787 -1.982 1.00 22.54 C ATOM 475 CG2 VAL A 34 2.599 7.756 -2.145 1.00 13.22 C ATOM 0 H VAL A 34 3.248 8.375 0.394 1.00 24.34 H new ATOM 0 HA VAL A 34 1.554 10.015 -1.084 1.00 3.25 H new ATOM 0 HB VAL A 34 1.438 7.025 -0.513 1.00 24.41 H new ATOM 0 HG11 VAL A 34 0.068 6.856 -2.548 1.00 22.54 H new ATOM 0 HG12 VAL A 34 -0.738 7.817 -1.286 1.00 22.54 H new ATOM 0 HG13 VAL A 34 0.033 8.632 -2.668 1.00 22.54 H new ATOM 0 HG21 VAL A 34 2.533 6.827 -2.711 1.00 13.22 H new ATOM 0 HG22 VAL A 34 2.599 8.601 -2.834 1.00 13.22 H new ATOM 0 HG23 VAL A 34 3.521 7.762 -1.563 1.00 13.22 H new ATOM 485 N LYS A 35 0.238 8.775 1.649 1.00 64.24 N ATOM 486 CA LYS A 35 -0.909 8.841 2.546 1.00 44.22 C ATOM 487 C LYS A 35 -1.395 10.278 2.703 1.00 12.13 C ATOM 488 O LYS A 35 -2.571 10.518 2.975 1.00 73.41 O ATOM 489 CB LYS A 35 -0.547 8.261 3.915 1.00 43.24 C ATOM 490 CG LYS A 35 0.215 9.230 4.804 1.00 12.44 C ATOM 491 CD LYS A 35 -0.723 10.011 5.709 1.00 11.40 C ATOM 492 CE LYS A 35 -0.050 10.382 7.022 1.00 2.41 C ATOM 493 NZ LYS A 35 -1.044 10.637 8.101 1.00 12.10 N ATOM 0 H LYS A 35 1.046 8.287 2.035 1.00 64.24 H new ATOM 0 HA LYS A 35 -1.714 8.250 2.110 1.00 44.22 H new ATOM 0 HB2 LYS A 35 -1.461 7.956 4.424 1.00 43.24 H new ATOM 0 HB3 LYS A 35 0.054 7.363 3.772 1.00 43.24 H new ATOM 0 HG2 LYS A 35 0.934 8.680 5.411 1.00 12.44 H new ATOM 0 HG3 LYS A 35 0.785 9.922 4.185 1.00 12.44 H new ATOM 0 HD2 LYS A 35 -1.052 10.916 5.199 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -1.614 9.417 5.911 1.00 11.40 H new ATOM 0 HE2 LYS A 35 0.619 9.578 7.327 1.00 2.41 H new ATOM 0 HE3 LYS A 35 0.565 11.270 6.877 1.00 2.41 H new ATOM 0 HZ1 LYS A 35 -0.640 11.296 8.797 1.00 12.10 H new ATOM 0 HZ2 LYS A 35 -1.904 11.052 7.690 1.00 12.10 H new ATOM 0 HZ3 LYS A 35 -1.283 9.741 8.571 1.00 12.10 H new ATOM 503 N ALA A 36 -0.483 11.229 2.528 1.00 13.12 N ATOM 504 CA ALA A 36 -0.821 12.641 2.647 1.00 21.13 C ATOM 505 C ALA A 36 -1.798 13.067 1.556 1.00 25.00 C ATOM 506 O ALA A 36 -2.623 13.958 1.758 1.00 43.12 O ATOM 507 CB ALA A 36 0.439 13.492 2.591 1.00 20.00 C ATOM 0 H ALA A 36 0.495 11.047 2.303 1.00 13.12 H new ATOM 0 HA ALA A 36 -1.306 12.792 3.611 1.00 21.13 H new ATOM 0 HB1 ALA A 36 0.171 14.545 2.681 1.00 20.00 H new ATOM 0 HB2 ALA A 36 1.102 13.215 3.411 1.00 20.00 H new ATOM 0 HB3 ALA A 36 0.948 13.327 1.641 1.00 20.00 H new ATOM 513 N LYS A 37 -1.698 12.425 0.397 1.00 42.21 N ATOM 514 CA LYS A 37 -2.571 12.735 -0.729 1.00 31.35 C ATOM 515 C LYS A 37 -3.986 12.224 -0.475 1.00 4.13 C ATOM 516 O LYS A 37 -4.960 12.960 -0.638 1.00 75.14 O ATOM 517 CB LYS A 37 -2.018 12.121 -2.017 1.00 74.41 C ATOM 518 CG LYS A 37 -1.715 13.144 -3.097 1.00 53.52 C ATOM 519 CD LYS A 37 -0.565 14.053 -2.698 1.00 5.31 C ATOM 520 CE LYS A 37 -1.061 15.420 -2.255 1.00 31.33 C ATOM 521 NZ LYS A 37 0.006 16.454 -2.343 1.00 42.41 N ATOM 0 H LYS A 37 -1.020 11.686 0.213 1.00 42.21 H new ATOM 0 HA LYS A 37 -2.608 13.819 -0.840 1.00 31.35 H new ATOM 0 HB2 LYS A 37 -1.107 11.570 -1.785 1.00 74.41 H new ATOM 0 HB3 LYS A 37 -2.738 11.399 -2.404 1.00 74.41 H new ATOM 0 HG2 LYS A 37 -1.468 12.631 -4.026 1.00 53.52 H new ATOM 0 HG3 LYS A 37 -2.604 13.744 -3.290 1.00 53.52 H new ATOM 0 HD2 LYS A 37 0.001 13.591 -1.889 1.00 5.31 H new ATOM 0 HD3 LYS A 37 0.118 14.168 -3.540 1.00 5.31 H new ATOM 0 HE2 LYS A 37 -1.907 15.718 -2.875 1.00 31.33 H new ATOM 0 HE3 LYS A 37 -1.424 15.359 -1.229 1.00 31.33 H new ATOM 0 HZ1 LYS A 37 -0.373 17.371 -2.032 1.00 42.41 H new ATOM 0 HZ2 LYS A 37 0.803 16.184 -1.732 1.00 42.41 H new ATOM 0 HZ3 LYS A 37 0.335 16.531 -3.327 1.00 42.41 H new ATOM 531 N ILE A 38 -4.092 10.960 -0.078 1.00 63.33 N ATOM 532 CA ILE A 38 -5.387 10.353 0.200 1.00 44.34 C ATOM 533 C ILE A 38 -5.968 10.871 1.511 1.00 40.20 C ATOM 534 O ILE A 38 -7.185 10.938 1.677 1.00 70.34 O ATOM 535 CB ILE A 38 -5.286 8.817 0.267 1.00 2.23 C ATOM 536 CG1 ILE A 38 -6.682 8.192 0.262 1.00 41.42 C ATOM 537 CG2 ILE A 38 -4.513 8.391 1.507 1.00 25.04 C ATOM 538 CD1 ILE A 38 -7.234 7.933 1.646 1.00 2.31 C ATOM 0 H ILE A 38 -3.296 10.337 0.058 1.00 63.33 H new ATOM 0 HA ILE A 38 -6.048 10.630 -0.621 1.00 44.34 H new ATOM 0 HB ILE A 38 -4.747 8.464 -0.612 1.00 2.23 H new ATOM 0 HG12 ILE A 38 -7.364 8.851 -0.275 1.00 41.42 H new ATOM 0 HG13 ILE A 38 -6.648 7.252 -0.288 1.00 41.42 H new ATOM 0 HG21 ILE A 38 -4.450 7.303 1.541 1.00 25.04 H new ATOM 0 HG22 ILE A 38 -3.508 8.812 1.472 1.00 25.04 H new ATOM 0 HG23 ILE A 38 -5.027 8.752 2.398 1.00 25.04 H new ATOM 0 HD11 ILE A 38 -8.226 7.489 1.565 1.00 2.31 H new ATOM 0 HD12 ILE A 38 -6.573 7.249 2.179 1.00 2.31 H new ATOM 0 HD13 ILE A 38 -7.301 8.873 2.193 1.00 2.31 H new ATOM 549 N GLN A 39 -5.088 11.237 2.437 1.00 72.32 N ATOM 550 CA GLN A 39 -5.515 11.751 3.734 1.00 44.12 C ATOM 551 C GLN A 39 -6.519 12.886 3.567 1.00 1.42 C ATOM 552 O GLN A 39 -7.479 12.995 4.328 1.00 34.43 O ATOM 553 CB GLN A 39 -4.306 12.237 4.536 1.00 14.14 C ATOM 554 CG GLN A 39 -4.679 12.956 5.822 1.00 73.11 C ATOM 555 CD GLN A 39 -3.533 13.011 6.813 1.00 61.12 C ATOM 556 OE1 GLN A 39 -3.691 12.662 7.984 1.00 3.44 O ATOM 557 NE2 GLN A 39 -2.369 13.451 6.349 1.00 30.24 N ATOM 0 H GLN A 39 -4.077 11.188 2.314 1.00 72.32 H new ATOM 0 HA GLN A 39 -6.000 10.939 4.276 1.00 44.12 H new ATOM 0 HB2 GLN A 39 -3.673 11.383 4.777 1.00 14.14 H new ATOM 0 HB3 GLN A 39 -3.713 12.907 3.914 1.00 14.14 H new ATOM 0 HG2 GLN A 39 -5.000 13.971 5.587 1.00 73.11 H new ATOM 0 HG3 GLN A 39 -5.529 12.452 6.282 1.00 73.11 H new ATOM 0 HE21 GLN A 39 -2.282 13.730 5.372 1.00 30.24 H new ATOM 0 HE22 GLN A 39 -1.562 13.510 6.970 1.00 30.24 H new ATOM 564 N ASP A 40 -6.289 13.729 2.566 1.00 13.03 N ATOM 565 CA ASP A 40 -7.175 14.856 2.297 1.00 61.44 C ATOM 566 C ASP A 40 -8.467 14.387 1.636 1.00 54.31 C ATOM 567 O ASP A 40 -9.509 15.033 1.755 1.00 43.42 O ATOM 568 CB ASP A 40 -6.474 15.881 1.405 1.00 25.14 C ATOM 569 CG ASP A 40 -7.111 17.255 1.489 1.00 55.43 C ATOM 570 OD1 ASP A 40 -7.749 17.549 2.522 1.00 22.32 O ATOM 571 OD2 ASP A 40 -6.975 18.033 0.523 1.00 5.00 O ATOM 0 H ASP A 40 -5.497 13.653 1.928 1.00 13.03 H new ATOM 0 HA ASP A 40 -7.425 15.325 3.249 1.00 61.44 H new ATOM 0 HB2 ASP A 40 -5.425 15.952 1.693 1.00 25.14 H new ATOM 0 HB3 ASP A 40 -6.498 15.535 0.372 1.00 25.14 H new ATOM 575 N LYS A 41 -8.393 13.258 0.939 1.00 24.30 N ATOM 576 CA LYS A 41 -9.556 12.701 0.258 1.00 74.02 C ATOM 577 C LYS A 41 -10.505 12.041 1.253 1.00 72.32 C ATOM 578 O LYS A 41 -11.690 12.368 1.305 1.00 64.33 O ATOM 579 CB LYS A 41 -9.116 11.682 -0.795 1.00 24.04 C ATOM 580 CG LYS A 41 -8.942 12.277 -2.182 1.00 21.23 C ATOM 581 CD LYS A 41 -7.482 12.565 -2.487 1.00 30.41 C ATOM 582 CE LYS A 41 -7.177 14.053 -2.401 1.00 72.44 C ATOM 583 NZ LYS A 41 -7.503 14.761 -3.669 1.00 13.32 N ATOM 0 H LYS A 41 -7.539 12.711 0.831 1.00 24.30 H new ATOM 0 HA LYS A 41 -10.084 13.518 -0.234 1.00 74.02 H new ATOM 0 HB2 LYS A 41 -8.174 11.232 -0.481 1.00 24.04 H new ATOM 0 HB3 LYS A 41 -9.853 10.880 -0.843 1.00 24.04 H new ATOM 0 HG2 LYS A 41 -9.341 11.588 -2.927 1.00 21.23 H new ATOM 0 HG3 LYS A 41 -9.519 13.199 -2.258 1.00 21.23 H new ATOM 0 HD2 LYS A 41 -6.849 12.022 -1.786 1.00 30.41 H new ATOM 0 HD3 LYS A 41 -7.239 12.200 -3.485 1.00 30.41 H new ATOM 0 HE2 LYS A 41 -7.746 14.494 -1.583 1.00 72.44 H new ATOM 0 HE3 LYS A 41 -6.122 14.194 -2.167 1.00 72.44 H new ATOM 0 HZ1 LYS A 41 -7.281 15.772 -3.569 1.00 13.32 H new ATOM 0 HZ2 LYS A 41 -6.941 14.358 -4.446 1.00 13.32 H new ATOM 0 HZ3 LYS A 41 -8.515 14.648 -3.879 1.00 13.32 H new ATOM 593 N GLU A 42 -9.974 11.112 2.043 1.00 30.11 N ATOM 594 CA GLU A 42 -10.775 10.407 3.037 1.00 21.40 C ATOM 595 C GLU A 42 -10.150 10.527 4.424 1.00 32.54 C ATOM 596 O GLU A 42 -10.854 10.653 5.425 1.00 25.11 O ATOM 597 CB GLU A 42 -10.919 8.932 2.656 1.00 70.34 C ATOM 598 CG GLU A 42 -11.661 8.710 1.349 1.00 74.54 C ATOM 599 CD GLU A 42 -13.163 8.852 1.500 1.00 42.04 C ATOM 600 OE1 GLU A 42 -13.802 7.906 2.005 1.00 45.55 O ATOM 601 OE2 GLU A 42 -13.700 9.912 1.112 1.00 52.14 O ATOM 0 H GLU A 42 -8.994 10.831 2.014 1.00 30.11 H new ATOM 0 HA GLU A 42 -11.763 10.866 3.062 1.00 21.40 H new ATOM 0 HB2 GLU A 42 -9.927 8.486 2.581 1.00 70.34 H new ATOM 0 HB3 GLU A 42 -11.444 8.409 3.455 1.00 70.34 H new ATOM 0 HG2 GLU A 42 -11.305 9.425 0.607 1.00 74.54 H new ATOM 0 HG3 GLU A 42 -11.430 7.715 0.969 1.00 74.54 H new ATOM 606 N GLY A 43 -8.822 10.487 4.473 1.00 61.05 N ATOM 607 CA GLY A 43 -8.124 10.593 5.742 1.00 53.54 C ATOM 608 C GLY A 43 -7.603 9.254 6.229 1.00 34.55 C ATOM 609 O GLY A 43 -7.188 9.126 7.382 1.00 11.43 O ATOM 0 H GLY A 43 -8.217 10.383 3.658 1.00 61.05 H new ATOM 0 HA2 GLY A 43 -7.291 11.288 5.638 1.00 53.54 H new ATOM 0 HA3 GLY A 43 -8.797 11.012 6.490 1.00 53.54 H new ATOM 613 N ILE A 44 -7.628 8.256 5.353 1.00 25.00 N ATOM 614 CA ILE A 44 -7.156 6.922 5.701 1.00 24.10 C ATOM 615 C ILE A 44 -5.633 6.878 5.767 1.00 73.31 C ATOM 616 O ILE A 44 -4.938 7.041 4.764 1.00 11.12 O ATOM 617 CB ILE A 44 -7.646 5.870 4.690 1.00 3.30 C ATOM 618 CG1 ILE A 44 -9.092 5.473 4.993 1.00 64.32 C ATOM 619 CG2 ILE A 44 -6.739 4.648 4.715 1.00 60.15 C ATOM 620 CD1 ILE A 44 -10.108 6.493 4.530 1.00 34.32 C ATOM 0 H ILE A 44 -7.970 8.346 4.396 1.00 25.00 H new ATOM 0 HA ILE A 44 -7.567 6.688 6.683 1.00 24.10 H new ATOM 0 HB ILE A 44 -7.611 6.304 3.691 1.00 3.30 H new ATOM 0 HG12 ILE A 44 -9.305 4.517 4.515 1.00 64.32 H new ATOM 0 HG13 ILE A 44 -9.202 5.324 6.067 1.00 64.32 H new ATOM 0 HG21 ILE A 44 -7.099 3.913 3.995 1.00 60.15 H new ATOM 0 HG22 ILE A 44 -5.723 4.944 4.455 1.00 60.15 H new ATOM 0 HG23 ILE A 44 -6.745 4.211 5.713 1.00 60.15 H new ATOM 0 HD11 ILE A 44 -11.111 6.146 4.778 1.00 34.32 H new ATOM 0 HD12 ILE A 44 -9.921 7.445 5.027 1.00 34.32 H new ATOM 0 HD13 ILE A 44 -10.026 6.625 3.451 1.00 34.32 H new ATOM 631 N PRO A 45 -5.100 6.650 6.977 1.00 63.02 N ATOM 632 CA PRO A 45 -3.653 6.576 7.203 1.00 4.13 C ATOM 633 C PRO A 45 -3.033 5.328 6.586 1.00 40.40 C ATOM 634 O PRO A 45 -3.726 4.377 6.220 1.00 44.13 O ATOM 635 CB PRO A 45 -3.534 6.535 8.728 1.00 54.32 C ATOM 636 CG PRO A 45 -4.831 5.967 9.194 1.00 2.24 C ATOM 637 CD PRO A 45 -5.868 6.447 8.217 1.00 52.43 C ATOM 0 HA PRO A 45 -3.125 7.412 6.743 1.00 4.13 H new ATOM 0 HB2 PRO A 45 -2.694 5.915 9.043 1.00 54.32 H new ATOM 0 HB3 PRO A 45 -3.367 7.531 9.139 1.00 54.32 H new ATOM 0 HG2 PRO A 45 -4.793 4.878 9.220 1.00 2.24 H new ATOM 0 HG3 PRO A 45 -5.063 6.302 10.205 1.00 2.24 H new ATOM 0 HD2 PRO A 45 -6.663 5.713 8.082 1.00 52.43 H new ATOM 0 HD3 PRO A 45 -6.340 7.370 8.553 1.00 52.43 H new ATOM 642 N PRO A 46 -1.697 5.326 6.467 1.00 32.21 N ATOM 643 CA PRO A 46 -0.954 4.198 5.895 1.00 33.32 C ATOM 644 C PRO A 46 -0.974 2.972 6.802 1.00 64.24 C ATOM 645 O PRO A 46 -0.821 1.842 6.337 1.00 23.34 O ATOM 646 CB PRO A 46 0.470 4.743 5.762 1.00 61.23 C ATOM 647 CG PRO A 46 0.564 5.815 6.793 1.00 54.21 C ATOM 648 CD PRO A 46 -0.808 6.424 6.883 1.00 13.51 C ATOM 0 HA PRO A 46 -1.385 3.861 4.952 1.00 33.32 H new ATOM 0 HB2 PRO A 46 1.210 3.962 5.935 1.00 61.23 H new ATOM 0 HB3 PRO A 46 0.651 5.138 4.762 1.00 61.23 H new ATOM 0 HG2 PRO A 46 0.873 5.406 7.755 1.00 54.21 H new ATOM 0 HG3 PRO A 46 1.305 6.563 6.512 1.00 54.21 H new ATOM 0 HD2 PRO A 46 -1.032 6.761 7.895 1.00 13.51 H new ATOM 0 HD3 PRO A 46 -0.907 7.291 6.229 1.00 13.51 H new ATOM 653 N ASP A 47 -1.161 3.203 8.096 1.00 52.43 N ATOM 654 CA ASP A 47 -1.202 2.116 9.068 1.00 41.14 C ATOM 655 C ASP A 47 -2.580 1.462 9.096 1.00 12.15 C ATOM 656 O ASP A 47 -2.728 0.324 9.539 1.00 34.25 O ATOM 657 CB ASP A 47 -0.842 2.634 10.461 1.00 23.43 C ATOM 658 CG ASP A 47 -1.713 3.800 10.887 1.00 31.44 C ATOM 659 OD1 ASP A 47 -2.778 3.555 11.493 1.00 63.12 O ATOM 660 OD2 ASP A 47 -1.330 4.957 10.616 1.00 22.12 O ATOM 0 H ASP A 47 -1.287 4.132 8.497 1.00 52.43 H new ATOM 0 HA ASP A 47 -0.470 1.366 8.767 1.00 41.14 H new ATOM 0 HB2 ASP A 47 -0.944 1.825 11.184 1.00 23.43 H new ATOM 0 HB3 ASP A 47 0.204 2.942 10.472 1.00 23.43 H new ATOM 664 N GLN A 48 -3.585 2.191 8.620 1.00 62.21 N ATOM 665 CA GLN A 48 -4.950 1.683 8.592 1.00 13.23 C ATOM 666 C GLN A 48 -5.391 1.381 7.163 1.00 63.43 C ATOM 667 O GLN A 48 -6.566 1.125 6.908 1.00 12.14 O ATOM 668 CB GLN A 48 -5.906 2.693 9.230 1.00 54.43 C ATOM 669 CG GLN A 48 -7.199 2.072 9.735 1.00 42.44 C ATOM 670 CD GLN A 48 -8.099 3.078 10.424 1.00 32.41 C ATOM 671 OE1 GLN A 48 -8.176 4.239 10.021 1.00 72.32 O ATOM 672 NE2 GLN A 48 -8.787 2.637 11.472 1.00 3.54 N ATOM 0 H GLN A 48 -3.478 3.135 8.249 1.00 62.21 H new ATOM 0 HA GLN A 48 -4.976 0.756 9.164 1.00 13.23 H new ATOM 0 HB2 GLN A 48 -5.400 3.185 10.061 1.00 54.43 H new ATOM 0 HB3 GLN A 48 -6.145 3.466 8.500 1.00 54.43 H new ATOM 0 HG2 GLN A 48 -7.734 1.625 8.897 1.00 42.44 H new ATOM 0 HG3 GLN A 48 -6.963 1.266 10.429 1.00 42.44 H new ATOM 0 HE21 GLN A 48 -8.693 1.667 11.772 1.00 3.54 H new ATOM 0 HE22 GLN A 48 -9.409 3.269 11.976 1.00 3.54 H new ATOM 679 N GLN A 49 -4.438 1.414 6.238 1.00 5.44 N ATOM 680 CA GLN A 49 -4.728 1.145 4.833 1.00 32.34 C ATOM 681 C GLN A 49 -4.019 -0.121 4.364 1.00 34.44 C ATOM 682 O GLN A 49 -2.969 -0.487 4.890 1.00 61.45 O ATOM 683 CB GLN A 49 -4.304 2.333 3.967 1.00 13.23 C ATOM 684 CG GLN A 49 -2.839 2.300 3.565 1.00 13.21 C ATOM 685 CD GLN A 49 -2.431 3.510 2.747 1.00 12.51 C ATOM 686 OE1 GLN A 49 -2.617 4.651 3.170 1.00 10.24 O ATOM 687 NE2 GLN A 49 -1.870 3.265 1.568 1.00 35.15 N ATOM 0 H GLN A 49 -3.459 1.624 6.435 1.00 5.44 H new ATOM 0 HA GLN A 49 -5.803 0.996 4.731 1.00 32.34 H new ATOM 0 HB2 GLN A 49 -4.919 2.354 3.067 1.00 13.23 H new ATOM 0 HB3 GLN A 49 -4.502 3.257 4.510 1.00 13.23 H new ATOM 0 HG2 GLN A 49 -2.221 2.247 4.461 1.00 13.21 H new ATOM 0 HG3 GLN A 49 -2.644 1.395 2.990 1.00 13.21 H new ATOM 0 HE21 GLN A 49 -1.735 2.303 1.257 1.00 35.15 H new ATOM 0 HE22 GLN A 49 -1.574 4.039 0.973 1.00 35.15 H new ATOM 694 N ARG A 50 -4.603 -0.785 3.371 1.00 64.12 N ATOM 695 CA ARG A 50 -4.027 -2.012 2.832 1.00 34.02 C ATOM 696 C ARG A 50 -3.552 -1.804 1.396 1.00 75.21 C ATOM 697 O ARG A 50 -4.182 -1.083 0.621 1.00 72.34 O ATOM 698 CB ARG A 50 -5.052 -3.147 2.883 1.00 24.15 C ATOM 699 CG ARG A 50 -6.425 -2.751 2.363 1.00 24.23 C ATOM 700 CD ARG A 50 -7.449 -3.847 2.604 1.00 54.54 C ATOM 701 NE ARG A 50 -7.252 -4.988 1.712 1.00 31.54 N ATOM 702 CZ ARG A 50 -8.203 -5.869 1.425 1.00 45.44 C ATOM 703 NH1 ARG A 50 -9.410 -5.744 1.958 1.00 1.21 N ATOM 704 NH2 ARG A 50 -7.946 -6.880 0.604 1.00 21.15 N ATOM 0 H ARG A 50 -5.473 -0.495 2.924 1.00 64.12 H new ATOM 0 HA ARG A 50 -3.167 -2.281 3.446 1.00 34.02 H new ATOM 0 HB2 ARG A 50 -4.680 -3.988 2.298 1.00 24.15 H new ATOM 0 HB3 ARG A 50 -5.148 -3.492 3.912 1.00 24.15 H new ATOM 0 HG2 ARG A 50 -6.750 -1.834 2.853 1.00 24.23 H new ATOM 0 HG3 ARG A 50 -6.363 -2.537 1.296 1.00 24.23 H new ATOM 0 HD2 ARG A 50 -7.385 -4.181 3.639 1.00 54.54 H new ATOM 0 HD3 ARG A 50 -8.452 -3.444 2.461 1.00 54.54 H new ATOM 0 HE ARG A 50 -6.334 -5.114 1.287 1.00 31.54 H new ATOM 0 HH11 ARG A 50 -9.610 -4.969 2.591 1.00 1.21 H new ATOM 0 HH12 ARG A 50 -10.138 -6.422 1.736 1.00 1.21 H new ATOM 0 HH21 ARG A 50 -7.018 -6.980 0.193 1.00 21.15 H new ATOM 0 HH22 ARG A 50 -8.677 -7.557 0.384 1.00 21.15 H new ATOM 715 N LEU A 51 -2.439 -2.440 1.050 1.00 24.11 N ATOM 716 CA LEU A 51 -1.879 -2.325 -0.292 1.00 10.21 C ATOM 717 C LEU A 51 -2.376 -3.456 -1.188 1.00 24.44 C ATOM 718 O LEU A 51 -2.215 -4.633 -0.865 1.00 5.50 O ATOM 719 CB LEU A 51 -0.350 -2.341 -0.232 1.00 14.21 C ATOM 720 CG LEU A 51 0.326 -0.989 -0.011 1.00 20.53 C ATOM 721 CD1 LEU A 51 -0.380 -0.212 1.090 1.00 22.21 C ATOM 722 CD2 LEU A 51 1.798 -1.177 0.327 1.00 51.24 C ATOM 0 H LEU A 51 -1.906 -3.040 1.679 1.00 24.11 H new ATOM 0 HA LEU A 51 -2.210 -1.377 -0.717 1.00 10.21 H new ATOM 0 HB2 LEU A 51 -0.045 -3.013 0.570 1.00 14.21 H new ATOM 0 HB3 LEU A 51 0.026 -2.765 -1.163 1.00 14.21 H new ATOM 0 HG LEU A 51 0.256 -0.415 -0.935 1.00 20.53 H new ATOM 0 HD11 LEU A 51 0.116 0.748 1.233 1.00 22.21 H new ATOM 0 HD12 LEU A 51 -1.420 -0.045 0.808 1.00 22.21 H new ATOM 0 HD13 LEU A 51 -0.343 -0.782 2.019 1.00 22.21 H new ATOM 0 HD21 LEU A 51 2.263 -0.203 0.481 1.00 51.24 H new ATOM 0 HD22 LEU A 51 1.890 -1.771 1.236 1.00 51.24 H new ATOM 0 HD23 LEU A 51 2.297 -1.692 -0.494 1.00 51.24 H new ATOM 733 N ILE A 52 -2.978 -3.090 -2.314 1.00 13.14 N ATOM 734 CA ILE A 52 -3.495 -4.074 -3.258 1.00 31.43 C ATOM 735 C ILE A 52 -3.052 -3.755 -4.681 1.00 2.41 C ATOM 736 O ILE A 52 -3.413 -2.719 -5.239 1.00 34.51 O ATOM 737 CB ILE A 52 -5.033 -4.143 -3.214 1.00 24.32 C ATOM 738 CG1 ILE A 52 -5.499 -4.802 -1.915 1.00 10.31 C ATOM 739 CG2 ILE A 52 -5.564 -4.902 -4.421 1.00 71.45 C ATOM 740 CD1 ILE A 52 -5.398 -3.896 -0.707 1.00 13.32 C ATOM 0 H ILE A 52 -3.120 -2.120 -2.595 1.00 13.14 H new ATOM 0 HA ILE A 52 -3.088 -5.041 -2.961 1.00 31.43 H new ATOM 0 HB ILE A 52 -5.429 -3.128 -3.246 1.00 24.32 H new ATOM 0 HG12 ILE A 52 -6.534 -5.124 -2.032 1.00 10.31 H new ATOM 0 HG13 ILE A 52 -4.904 -5.698 -1.738 1.00 10.31 H new ATOM 0 HG21 ILE A 52 -6.652 -4.942 -4.376 1.00 71.45 H new ATOM 0 HG22 ILE A 52 -5.258 -4.393 -5.335 1.00 71.45 H new ATOM 0 HG23 ILE A 52 -5.163 -5.916 -4.419 1.00 71.45 H new ATOM 0 HD11 ILE A 52 -5.745 -4.429 0.178 1.00 13.32 H new ATOM 0 HD12 ILE A 52 -4.360 -3.594 -0.565 1.00 13.32 H new ATOM 0 HD13 ILE A 52 -6.016 -3.011 -0.863 1.00 13.32 H new ATOM 751 N PHE A 53 -2.268 -4.655 -5.267 1.00 40.45 N ATOM 752 CA PHE A 53 -1.776 -4.471 -6.627 1.00 64.20 C ATOM 753 C PHE A 53 -2.076 -5.697 -7.485 1.00 62.13 C ATOM 754 O PHE A 53 -1.717 -6.819 -7.129 1.00 41.24 O ATOM 755 CB PHE A 53 -0.269 -4.199 -6.614 1.00 14.32 C ATOM 756 CG PHE A 53 0.397 -4.457 -7.936 1.00 22.44 C ATOM 757 CD1 PHE A 53 -0.123 -3.923 -9.104 1.00 41.23 C ATOM 758 CD2 PHE A 53 1.543 -5.232 -8.009 1.00 11.43 C ATOM 759 CE1 PHE A 53 0.489 -4.159 -10.321 1.00 11.34 C ATOM 760 CE2 PHE A 53 2.158 -5.472 -9.223 1.00 23.50 C ATOM 761 CZ PHE A 53 1.631 -4.933 -10.381 1.00 22.30 C ATOM 0 H PHE A 53 -1.960 -5.519 -4.821 1.00 40.45 H new ATOM 0 HA PHE A 53 -2.290 -3.613 -7.060 1.00 64.20 H new ATOM 0 HB2 PHE A 53 -0.097 -3.162 -6.326 1.00 14.32 H new ATOM 0 HB3 PHE A 53 0.198 -4.823 -5.852 1.00 14.32 H new ATOM 0 HD1 PHE A 53 -1.016 -3.316 -9.063 1.00 41.23 H new ATOM 0 HD2 PHE A 53 1.961 -5.654 -7.107 1.00 11.43 H new ATOM 0 HE1 PHE A 53 0.074 -3.738 -11.225 1.00 11.34 H new ATOM 0 HE2 PHE A 53 3.049 -6.080 -9.267 1.00 23.50 H new ATOM 0 HZ PHE A 53 2.111 -5.117 -11.331 1.00 22.30 H new ATOM 770 N ALA A 54 -2.735 -5.473 -8.616 1.00 15.21 N ATOM 771 CA ALA A 54 -3.083 -6.559 -9.525 1.00 21.44 C ATOM 772 C ALA A 54 -3.887 -7.638 -8.810 1.00 15.22 C ATOM 773 O ALA A 54 -3.804 -8.817 -9.150 1.00 10.21 O ATOM 774 CB ALA A 54 -1.825 -7.154 -10.140 1.00 53.10 C ATOM 0 H ALA A 54 -3.039 -4.550 -8.925 1.00 15.21 H new ATOM 0 HA ALA A 54 -3.705 -6.149 -10.321 1.00 21.44 H new ATOM 0 HB1 ALA A 54 -2.099 -7.964 -10.817 1.00 53.10 H new ATOM 0 HB2 ALA A 54 -1.291 -6.382 -10.695 1.00 53.10 H new ATOM 0 HB3 ALA A 54 -1.183 -7.543 -9.350 1.00 53.10 H new ATOM 780 N GLY A 55 -4.667 -7.226 -7.815 1.00 35.12 N ATOM 781 CA GLY A 55 -5.475 -8.171 -7.066 1.00 11.32 C ATOM 782 C GLY A 55 -4.703 -8.832 -5.941 1.00 0.15 C ATOM 783 O GLY A 55 -5.280 -9.529 -5.106 1.00 4.31 O ATOM 0 H GLY A 55 -4.754 -6.255 -7.514 1.00 35.12 H new ATOM 0 HA2 GLY A 55 -6.342 -7.655 -6.653 1.00 11.32 H new ATOM 0 HA3 GLY A 55 -5.852 -8.938 -7.743 1.00 11.32 H new ATOM 787 N LYS A 56 -3.393 -8.614 -5.918 1.00 25.03 N ATOM 788 CA LYS A 56 -2.538 -9.193 -4.889 1.00 23.42 C ATOM 789 C LYS A 56 -2.248 -8.177 -3.787 1.00 13.32 C ATOM 790 O LYS A 56 -1.762 -7.079 -4.057 1.00 74.44 O ATOM 791 CB LYS A 56 -1.225 -9.683 -5.502 1.00 1.21 C ATOM 792 CG LYS A 56 -0.535 -10.761 -4.684 1.00 71.10 C ATOM 793 CD LYS A 56 0.869 -11.035 -5.192 1.00 25.02 C ATOM 794 CE LYS A 56 0.855 -11.957 -6.401 1.00 1.44 C ATOM 795 NZ LYS A 56 2.213 -12.478 -6.719 1.00 3.20 N ATOM 0 H LYS A 56 -2.900 -8.040 -6.601 1.00 25.03 H new ATOM 0 HA LYS A 56 -3.065 -10.040 -4.450 1.00 23.42 H new ATOM 0 HB2 LYS A 56 -1.423 -10.069 -6.502 1.00 1.21 H new ATOM 0 HB3 LYS A 56 -0.548 -8.836 -5.615 1.00 1.21 H new ATOM 0 HG2 LYS A 56 -0.491 -10.454 -3.639 1.00 71.10 H new ATOM 0 HG3 LYS A 56 -1.122 -11.679 -4.722 1.00 71.10 H new ATOM 0 HD2 LYS A 56 1.351 -10.094 -5.457 1.00 25.02 H new ATOM 0 HD3 LYS A 56 1.463 -11.485 -4.397 1.00 25.02 H new ATOM 0 HE2 LYS A 56 0.181 -12.792 -6.212 1.00 1.44 H new ATOM 0 HE3 LYS A 56 0.462 -11.419 -7.263 1.00 1.44 H new ATOM 0 HZ1 LYS A 56 2.160 -13.102 -7.549 1.00 3.20 H new ATOM 0 HZ2 LYS A 56 2.851 -11.683 -6.924 1.00 3.20 H new ATOM 0 HZ3 LYS A 56 2.578 -13.014 -5.906 1.00 3.20 H new ATOM 805 N GLN A 57 -2.551 -8.552 -2.549 1.00 42.45 N ATOM 806 CA GLN A 57 -2.322 -7.674 -1.408 1.00 3.05 C ATOM 807 C GLN A 57 -0.859 -7.707 -0.980 1.00 63.04 C ATOM 808 O GLN A 57 -0.140 -8.667 -1.263 1.00 74.03 O ATOM 809 CB GLN A 57 -3.218 -8.079 -0.237 1.00 74.04 C ATOM 810 CG GLN A 57 -4.703 -7.988 -0.547 1.00 73.41 C ATOM 811 CD GLN A 57 -5.464 -9.231 -0.131 1.00 5.52 C ATOM 812 OE1 GLN A 57 -5.668 -9.480 1.057 1.00 14.33 O ATOM 813 NE2 GLN A 57 -5.888 -10.021 -1.111 1.00 51.11 N ATOM 0 H GLN A 57 -2.955 -9.457 -2.310 1.00 42.45 H new ATOM 0 HA GLN A 57 -2.570 -6.656 -1.710 1.00 3.05 H new ATOM 0 HB2 GLN A 57 -2.979 -9.101 0.056 1.00 74.04 H new ATOM 0 HB3 GLN A 57 -2.994 -7.441 0.618 1.00 74.04 H new ATOM 0 HG2 GLN A 57 -5.124 -7.121 -0.037 1.00 73.41 H new ATOM 0 HG3 GLN A 57 -4.838 -7.825 -1.616 1.00 73.41 H new ATOM 0 HE21 GLN A 57 -5.697 -9.776 -2.082 1.00 51.11 H new ATOM 0 HE22 GLN A 57 -6.405 -10.873 -0.892 1.00 51.11 H new ATOM 820 N LEU A 58 -0.422 -6.655 -0.296 1.00 73.11 N ATOM 821 CA LEU A 58 0.956 -6.564 0.172 1.00 20.21 C ATOM 822 C LEU A 58 1.091 -5.510 1.266 1.00 64.45 C ATOM 823 O LEU A 58 0.094 -5.006 1.782 1.00 52.20 O ATOM 824 CB LEU A 58 1.890 -6.229 -0.992 1.00 1.12 C ATOM 825 CG LEU A 58 1.772 -4.814 -1.561 1.00 4.03 C ATOM 826 CD1 LEU A 58 3.112 -4.345 -2.106 1.00 64.30 C ATOM 827 CD2 LEU A 58 0.706 -4.762 -2.645 1.00 2.25 C ATOM 0 H LEU A 58 -1.003 -5.853 -0.053 1.00 73.11 H new ATOM 0 HA LEU A 58 1.237 -7.532 0.588 1.00 20.21 H new ATOM 0 HB2 LEU A 58 2.918 -6.382 -0.663 1.00 1.12 H new ATOM 0 HB3 LEU A 58 1.704 -6.940 -1.797 1.00 1.12 H new ATOM 0 HG LEU A 58 1.475 -4.143 -0.755 1.00 4.03 H new ATOM 0 HD11 LEU A 58 3.009 -3.337 -2.507 1.00 64.30 H new ATOM 0 HD12 LEU A 58 3.850 -4.343 -1.304 1.00 64.30 H new ATOM 0 HD13 LEU A 58 3.438 -5.019 -2.898 1.00 64.30 H new ATOM 0 HD21 LEU A 58 0.636 -3.748 -3.038 1.00 2.25 H new ATOM 0 HD22 LEU A 58 0.973 -5.446 -3.451 1.00 2.25 H new ATOM 0 HD23 LEU A 58 -0.256 -5.055 -2.224 1.00 2.25 H new ATOM 890 N THR A 63 10.927 1.789 -1.277 1.00 42.44 N ATOM 891 CA THR A 63 10.421 2.608 -2.370 1.00 22.03 C ATOM 892 C THR A 63 10.171 1.768 -3.617 1.00 23.34 C ATOM 893 O THR A 63 10.740 0.687 -3.774 1.00 23.03 O ATOM 894 CB THR A 63 11.399 3.747 -2.719 1.00 54.11 C ATOM 895 OG1 THR A 63 12.668 3.202 -3.097 1.00 4.15 O ATOM 896 CG2 THR A 63 11.577 4.688 -1.537 1.00 32.31 C ATOM 0 HA THR A 63 9.479 3.039 -2.031 1.00 22.03 H new ATOM 0 HB THR A 63 10.983 4.312 -3.553 1.00 54.11 H new ATOM 0 HG1 THR A 63 13.149 2.908 -2.296 1.00 4.15 H new ATOM 0 HG21 THR A 63 12.271 5.484 -1.807 1.00 32.31 H new ATOM 0 HG22 THR A 63 10.614 5.122 -1.269 1.00 32.31 H new ATOM 0 HG23 THR A 63 11.974 4.133 -0.687 1.00 32.31 H new ATOM 904 N LEU A 64 9.318 2.271 -4.503 1.00 21.51 N ATOM 905 CA LEU A 64 8.994 1.568 -5.738 1.00 1.52 C ATOM 906 C LEU A 64 10.261 1.192 -6.501 1.00 34.42 C ATOM 907 O LEU A 64 10.326 0.142 -7.138 1.00 1.24 O ATOM 908 CB LEU A 64 8.092 2.432 -6.620 1.00 21.43 C ATOM 909 CG LEU A 64 6.997 3.216 -5.896 1.00 34.11 C ATOM 910 CD1 LEU A 64 6.014 3.808 -6.894 1.00 14.11 C ATOM 911 CD2 LEU A 64 6.274 2.324 -4.898 1.00 52.31 C ATOM 0 H LEU A 64 8.838 3.164 -4.388 1.00 21.51 H new ATOM 0 HA LEU A 64 8.465 0.652 -5.476 1.00 1.52 H new ATOM 0 HB2 LEU A 64 8.719 3.139 -7.163 1.00 21.43 H new ATOM 0 HB3 LEU A 64 7.620 1.789 -7.363 1.00 21.43 H new ATOM 0 HG LEU A 64 7.465 4.035 -5.349 1.00 34.11 H new ATOM 0 HD11 LEU A 64 5.242 4.362 -6.360 1.00 14.11 H new ATOM 0 HD12 LEU A 64 6.542 4.481 -7.569 1.00 14.11 H new ATOM 0 HD13 LEU A 64 5.552 3.006 -7.469 1.00 14.11 H new ATOM 0 HD21 LEU A 64 5.498 2.899 -4.392 1.00 52.31 H new ATOM 0 HD22 LEU A 64 5.819 1.484 -5.423 1.00 52.31 H new ATOM 0 HD23 LEU A 64 6.986 1.949 -4.163 1.00 52.31 H new ATOM 922 N SER A 65 11.267 2.058 -6.428 1.00 43.11 N ATOM 923 CA SER A 65 12.532 1.819 -7.112 1.00 1.00 C ATOM 924 C SER A 65 13.303 0.682 -6.448 1.00 31.44 C ATOM 925 O SER A 65 14.009 -0.074 -7.113 1.00 63.11 O ATOM 926 CB SER A 65 13.381 3.092 -7.118 1.00 42.12 C ATOM 927 OG SER A 65 14.615 2.878 -7.782 1.00 63.31 O ATOM 0 H SER A 65 11.230 2.931 -5.902 1.00 43.11 H new ATOM 0 HA SER A 65 12.312 1.533 -8.140 1.00 1.00 H new ATOM 0 HB2 SER A 65 12.834 3.896 -7.611 1.00 42.12 H new ATOM 0 HB3 SER A 65 13.567 3.414 -6.093 1.00 42.12 H new ATOM 0 HG SER A 65 15.139 3.706 -7.774 1.00 63.31 H new ATOM 932 N GLU A 66 13.160 0.570 -5.131 1.00 63.44 N ATOM 933 CA GLU A 66 13.844 -0.473 -4.376 1.00 52.41 C ATOM 934 C GLU A 66 13.177 -1.828 -4.593 1.00 0.43 C ATOM 935 O GLU A 66 13.849 -2.853 -4.710 1.00 71.34 O ATOM 936 CB GLU A 66 13.854 -0.131 -2.884 1.00 1.41 C ATOM 937 CG GLU A 66 14.949 0.846 -2.492 1.00 63.11 C ATOM 938 CD GLU A 66 14.865 1.261 -1.036 1.00 25.42 C ATOM 939 OE1 GLU A 66 15.464 0.568 -0.187 1.00 52.03 O ATOM 940 OE2 GLU A 66 14.202 2.279 -0.746 1.00 71.34 O ATOM 0 H GLU A 66 12.578 1.188 -4.566 1.00 63.44 H new ATOM 0 HA GLU A 66 14.871 -0.531 -4.735 1.00 52.41 H new ATOM 0 HB2 GLU A 66 12.887 0.291 -2.610 1.00 1.41 H new ATOM 0 HB3 GLU A 66 13.975 -1.050 -2.310 1.00 1.41 H new ATOM 0 HG2 GLU A 66 15.921 0.391 -2.681 1.00 63.11 H new ATOM 0 HG3 GLU A 66 14.883 1.732 -3.123 1.00 63.11 H new ATOM 945 N TYR A 67 11.849 -1.825 -4.646 1.00 5.23 N ATOM 946 CA TYR A 67 11.090 -3.053 -4.847 1.00 73.13 C ATOM 947 C TYR A 67 10.917 -3.351 -6.334 1.00 73.02 C ATOM 948 O TYR A 67 10.425 -4.412 -6.712 1.00 52.15 O ATOM 949 CB TYR A 67 9.720 -2.946 -4.175 1.00 33.30 C ATOM 950 CG TYR A 67 9.628 -3.695 -2.865 1.00 50.02 C ATOM 951 CD1 TYR A 67 9.979 -5.037 -2.783 1.00 52.03 C ATOM 952 CD2 TYR A 67 9.189 -3.061 -1.709 1.00 73.35 C ATOM 953 CE1 TYR A 67 9.896 -5.726 -1.588 1.00 5.21 C ATOM 954 CE2 TYR A 67 9.105 -3.742 -0.509 1.00 20.24 C ATOM 955 CZ TYR A 67 9.459 -5.074 -0.454 1.00 64.12 C ATOM 956 OH TYR A 67 9.375 -5.755 0.738 1.00 65.44 O ATOM 0 H TYR A 67 11.277 -0.986 -4.553 1.00 5.23 H new ATOM 0 HA TYR A 67 11.648 -3.872 -4.393 1.00 73.13 H new ATOM 0 HB2 TYR A 67 9.492 -1.895 -4.000 1.00 33.30 H new ATOM 0 HB3 TYR A 67 8.960 -3.328 -4.856 1.00 33.30 H new ATOM 0 HD1 TYR A 67 10.323 -5.551 -3.669 1.00 52.03 H new ATOM 0 HD2 TYR A 67 8.909 -2.019 -1.749 1.00 73.35 H new ATOM 0 HE1 TYR A 67 10.172 -6.769 -1.542 1.00 5.21 H new ATOM 0 HE2 TYR A 67 8.764 -3.234 0.381 1.00 20.24 H new ATOM 0 HH TYR A 67 9.051 -5.151 1.438 1.00 65.44 H new ATOM 965 N ASN A 68 11.327 -2.404 -7.171 1.00 44.00 N ATOM 966 CA ASN A 68 11.219 -2.564 -8.617 1.00 22.34 C ATOM 967 C ASN A 68 9.809 -2.990 -9.013 1.00 70.21 C ATOM 968 O ASN A 68 9.627 -3.814 -9.910 1.00 65.04 O ATOM 969 CB ASN A 68 12.235 -3.593 -9.115 1.00 54.34 C ATOM 970 CG ASN A 68 12.537 -3.440 -10.593 1.00 65.42 C ATOM 971 OD1 ASN A 68 12.676 -2.324 -11.096 1.00 14.20 O ATOM 972 ND2 ASN A 68 12.642 -4.562 -11.296 1.00 31.41 N ATOM 0 H ASN A 68 11.737 -1.518 -6.874 1.00 44.00 H new ATOM 0 HA ASN A 68 11.432 -1.601 -9.081 1.00 22.34 H new ATOM 0 HB2 ASN A 68 13.159 -3.492 -8.546 1.00 54.34 H new ATOM 0 HB3 ASN A 68 11.853 -4.597 -8.927 1.00 54.34 H new ATOM 0 HD21 ASN A 68 12.846 -4.521 -12.295 1.00 31.41 H new ATOM 0 HD22 ASN A 68 12.519 -5.465 -10.837 1.00 31.41 H new ATOM 978 N ILE A 69 8.814 -2.424 -8.339 1.00 33.12 N ATOM 979 CA ILE A 69 7.420 -2.745 -8.621 1.00 3.15 C ATOM 980 C ILE A 69 6.779 -1.679 -9.503 1.00 22.32 C ATOM 981 O ILE A 69 7.206 -0.524 -9.506 1.00 11.41 O ATOM 982 CB ILE A 69 6.601 -2.883 -7.325 1.00 0.04 C ATOM 983 CG1 ILE A 69 6.805 -1.657 -6.432 1.00 5.15 C ATOM 984 CG2 ILE A 69 6.989 -4.154 -6.586 1.00 62.54 C ATOM 985 CD1 ILE A 69 5.924 -1.652 -5.203 1.00 24.53 C ATOM 0 H ILE A 69 8.947 -1.741 -7.594 1.00 33.12 H new ATOM 0 HA ILE A 69 7.416 -3.700 -9.147 1.00 3.15 H new ATOM 0 HB ILE A 69 5.545 -2.946 -7.586 1.00 0.04 H new ATOM 0 HG12 ILE A 69 7.849 -1.614 -6.121 1.00 5.15 H new ATOM 0 HG13 ILE A 69 6.608 -0.757 -7.014 1.00 5.15 H new ATOM 0 HG21 ILE A 69 6.401 -4.237 -5.672 1.00 62.54 H new ATOM 0 HG22 ILE A 69 6.795 -5.018 -7.222 1.00 62.54 H new ATOM 0 HG23 ILE A 69 8.049 -4.119 -6.334 1.00 62.54 H new ATOM 0 HD11 ILE A 69 6.122 -0.755 -4.617 1.00 24.53 H new ATOM 0 HD12 ILE A 69 4.877 -1.664 -5.506 1.00 24.53 H new ATOM 0 HD13 ILE A 69 6.137 -2.534 -4.599 1.00 24.53 H new ATOM 996 N GLN A 70 5.752 -2.074 -10.249 1.00 32.52 N ATOM 997 CA GLN A 70 5.052 -1.151 -11.134 1.00 11.14 C ATOM 998 C GLN A 70 3.903 -0.462 -10.403 1.00 3.53 C ATOM 999 O GLN A 70 2.782 -0.398 -10.908 1.00 33.02 O ATOM 1000 CB GLN A 70 4.518 -1.895 -12.360 1.00 25.14 C ATOM 1001 CG GLN A 70 3.656 -3.097 -12.016 1.00 73.05 C ATOM 1002 CD GLN A 70 2.583 -3.362 -13.053 1.00 43.54 C ATOM 1003 OE1 GLN A 70 2.614 -4.378 -13.750 1.00 3.01 O ATOM 1004 NE2 GLN A 70 1.625 -2.450 -13.162 1.00 21.52 N ATOM 0 H GLN A 70 5.387 -3.026 -10.258 1.00 32.52 H new ATOM 0 HA GLN A 70 5.761 -0.389 -11.459 1.00 11.14 H new ATOM 0 HB2 GLN A 70 3.936 -1.203 -12.969 1.00 25.14 H new ATOM 0 HB3 GLN A 70 5.360 -2.225 -12.969 1.00 25.14 H new ATOM 0 HG2 GLN A 70 4.290 -3.979 -11.921 1.00 73.05 H new ATOM 0 HG3 GLN A 70 3.186 -2.937 -11.046 1.00 73.05 H new ATOM 0 HE21 GLN A 70 1.638 -1.623 -12.565 1.00 21.52 H new ATOM 0 HE22 GLN A 70 0.876 -2.576 -13.843 1.00 21.52 H new ATOM 1011 N LYS A 71 4.190 0.053 -9.213 1.00 52.23 N ATOM 1012 CA LYS A 71 3.183 0.739 -8.412 1.00 54.54 C ATOM 1013 C LYS A 71 3.120 2.220 -8.771 1.00 15.05 C ATOM 1014 O LYS A 71 3.141 3.081 -7.892 1.00 10.41 O ATOM 1015 CB LYS A 71 3.490 0.576 -6.922 1.00 74.51 C ATOM 1016 CG LYS A 71 2.394 1.108 -6.014 1.00 20.55 C ATOM 1017 CD LYS A 71 2.966 1.940 -4.877 1.00 0.54 C ATOM 1018 CE LYS A 71 3.581 1.061 -3.800 1.00 74.54 C ATOM 1019 NZ LYS A 71 2.544 0.316 -3.033 1.00 53.51 N ATOM 0 H LYS A 71 5.113 0.008 -8.781 1.00 52.23 H new ATOM 0 HA LYS A 71 2.214 0.290 -8.628 1.00 54.54 H new ATOM 0 HB2 LYS A 71 3.649 -0.480 -6.706 1.00 74.51 H new ATOM 0 HB3 LYS A 71 4.422 1.092 -6.693 1.00 74.51 H new ATOM 0 HG2 LYS A 71 1.700 1.714 -6.596 1.00 20.55 H new ATOM 0 HG3 LYS A 71 1.823 0.275 -5.605 1.00 20.55 H new ATOM 0 HD2 LYS A 71 3.722 2.622 -5.268 1.00 0.54 H new ATOM 0 HD3 LYS A 71 2.178 2.554 -4.441 1.00 0.54 H new ATOM 0 HE2 LYS A 71 4.271 0.353 -4.259 1.00 74.54 H new ATOM 0 HE3 LYS A 71 4.165 1.678 -3.117 1.00 74.54 H new ATOM 0 HZ1 LYS A 71 2.601 0.577 -2.028 1.00 53.51 H new ATOM 0 HZ2 LYS A 71 1.601 0.556 -3.400 1.00 53.51 H new ATOM 0 HZ3 LYS A 71 2.705 -0.706 -3.135 1.00 53.51 H new ATOM 1029 N GLU A 72 3.040 2.508 -10.066 1.00 13.32 N ATOM 1030 CA GLU A 72 2.973 3.885 -10.539 1.00 31.24 C ATOM 1031 C GLU A 72 1.979 4.018 -11.690 1.00 52.02 C ATOM 1032 O GLU A 72 2.106 4.904 -12.534 1.00 22.41 O ATOM 1033 CB GLU A 72 4.355 4.363 -10.986 1.00 1.12 C ATOM 1034 CG GLU A 72 4.608 5.837 -10.714 1.00 44.23 C ATOM 1035 CD GLU A 72 5.651 6.431 -11.640 1.00 42.31 C ATOM 1036 OE1 GLU A 72 6.308 5.657 -12.369 1.00 23.14 O ATOM 1037 OE2 GLU A 72 5.811 7.669 -11.636 1.00 21.24 O ATOM 0 H GLU A 72 3.020 1.806 -10.806 1.00 13.32 H new ATOM 0 HA GLU A 72 2.631 4.509 -9.713 1.00 31.24 H new ATOM 0 HB2 GLU A 72 5.116 3.772 -10.477 1.00 1.12 H new ATOM 0 HB3 GLU A 72 4.467 4.175 -12.054 1.00 1.12 H new ATOM 0 HG2 GLU A 72 3.674 6.388 -10.824 1.00 44.23 H new ATOM 0 HG3 GLU A 72 4.932 5.961 -9.681 1.00 44.23 H new ATOM 1042 N SER A 73 0.993 3.128 -11.717 1.00 35.14 N ATOM 1043 CA SER A 73 -0.020 3.142 -12.766 1.00 31.12 C ATOM 1044 C SER A 73 -1.424 3.088 -12.169 1.00 63.44 C ATOM 1045 O SER A 73 -2.128 4.097 -12.114 1.00 63.32 O ATOM 1046 CB SER A 73 0.186 1.963 -13.718 1.00 12.25 C ATOM 1047 OG SER A 73 1.396 2.098 -14.443 1.00 4.30 O ATOM 0 H SER A 73 0.874 2.388 -11.025 1.00 35.14 H new ATOM 0 HA SER A 73 0.083 4.073 -13.323 1.00 31.12 H new ATOM 0 HB2 SER A 73 0.200 1.032 -13.151 1.00 12.25 H new ATOM 0 HB3 SER A 73 -0.652 1.901 -14.412 1.00 12.25 H new ATOM 0 HG SER A 73 1.505 1.331 -15.043 1.00 4.30 H new ATOM 1052 N THR A 74 -1.824 1.902 -11.721 1.00 32.20 N ATOM 1053 CA THR A 74 -3.142 1.714 -11.128 1.00 22.12 C ATOM 1054 C THR A 74 -3.056 0.895 -9.845 1.00 32.21 C ATOM 1055 O THR A 74 -2.826 -0.314 -9.884 1.00 61.15 O ATOM 1056 CB THR A 74 -4.104 1.016 -12.107 1.00 42.13 C ATOM 1057 OG1 THR A 74 -3.724 1.305 -13.457 1.00 53.53 O ATOM 1058 CG2 THR A 74 -5.538 1.466 -11.871 1.00 51.11 C ATOM 0 H THR A 74 -1.254 1.057 -11.758 1.00 32.20 H new ATOM 0 HA THR A 74 -3.529 2.706 -10.896 1.00 22.12 H new ATOM 0 HB THR A 74 -4.045 -0.059 -11.935 1.00 42.13 H new ATOM 0 HG1 THR A 74 -4.340 0.856 -14.073 1.00 53.53 H new ATOM 0 HG21 THR A 74 -6.199 0.959 -12.574 1.00 51.11 H new ATOM 0 HG22 THR A 74 -5.834 1.218 -10.852 1.00 51.11 H new ATOM 0 HG23 THR A 74 -5.610 2.544 -12.017 1.00 51.11 H new ATOM 1066 N LEU A 75 -3.243 1.560 -8.710 1.00 5.24 N ATOM 1067 CA LEU A 75 -3.188 0.892 -7.414 1.00 1.52 C ATOM 1068 C LEU A 75 -4.360 1.313 -6.534 1.00 22.12 C ATOM 1069 O LEU A 75 -4.745 2.483 -6.512 1.00 43.13 O ATOM 1070 CB LEU A 75 -1.867 1.210 -6.710 1.00 3.14 C ATOM 1071 CG LEU A 75 -0.927 0.027 -6.481 1.00 73.33 C ATOM 1072 CD1 LEU A 75 -1.371 -0.779 -5.269 1.00 50.12 C ATOM 1073 CD2 LEU A 75 -0.869 -0.856 -7.718 1.00 41.43 C ATOM 0 H LEU A 75 -3.434 2.561 -8.661 1.00 5.24 H new ATOM 0 HA LEU A 75 -3.253 -0.183 -7.584 1.00 1.52 H new ATOM 0 HB2 LEU A 75 -1.337 1.961 -7.296 1.00 3.14 H new ATOM 0 HB3 LEU A 75 -2.093 1.661 -5.744 1.00 3.14 H new ATOM 0 HG LEU A 75 0.074 0.414 -6.289 1.00 73.33 H new ATOM 0 HD11 LEU A 75 -0.691 -1.617 -5.121 1.00 50.12 H new ATOM 0 HD12 LEU A 75 -1.360 -0.142 -4.385 1.00 50.12 H new ATOM 0 HD13 LEU A 75 -2.381 -1.156 -5.433 1.00 50.12 H new ATOM 0 HD21 LEU A 75 -0.195 -1.693 -7.536 1.00 41.43 H new ATOM 0 HD22 LEU A 75 -1.866 -1.235 -7.941 1.00 41.43 H new ATOM 0 HD23 LEU A 75 -0.504 -0.274 -8.564 1.00 41.43 H new ATOM 1084 N HIS A 76 -4.924 0.353 -5.809 1.00 2.31 N ATOM 1085 CA HIS A 76 -6.052 0.624 -4.924 1.00 11.41 C ATOM 1086 C HIS A 76 -5.708 0.268 -3.481 1.00 2.33 C ATOM 1087 O HIS A 76 -5.590 -0.907 -3.132 1.00 51.30 O ATOM 1088 CB HIS A 76 -7.283 -0.163 -5.377 1.00 24.44 C ATOM 1089 CG HIS A 76 -7.465 -0.187 -6.864 1.00 71.13 C ATOM 1090 ND1 HIS A 76 -7.053 0.838 -7.689 1.00 51.14 N ATOM 1091 CD2 HIS A 76 -8.017 -1.121 -7.672 1.00 50.11 C ATOM 1092 CE1 HIS A 76 -7.346 0.536 -8.942 1.00 53.35 C ATOM 1093 NE2 HIS A 76 -7.931 -0.649 -8.958 1.00 3.33 N ATOM 0 H HIS A 76 -4.619 -0.620 -5.817 1.00 2.31 H new ATOM 0 HA HIS A 76 -6.273 1.690 -4.973 1.00 11.41 H new ATOM 0 HB2 HIS A 76 -7.204 -1.187 -5.012 1.00 24.44 H new ATOM 0 HB3 HIS A 76 -8.171 0.271 -4.917 1.00 24.44 H new ATOM 0 HD2 HIS A 76 -8.446 -2.063 -7.363 1.00 50.11 H new ATOM 0 HE1 HIS A 76 -7.142 1.152 -9.805 1.00 53.35 H new ATOM 0 HE2 HIS A 76 -8.265 -1.134 -9.791 1.00 3.33 H new ATOM 1100 N LEU A 77 -5.548 1.290 -2.647 1.00 15.51 N ATOM 1101 CA LEU A 77 -5.217 1.085 -1.242 1.00 31.32 C ATOM 1102 C LEU A 77 -6.169 1.865 -0.339 1.00 44.51 C ATOM 1103 O LEU A 77 -5.950 3.044 -0.060 1.00 50.33 O ATOM 1104 CB LEU A 77 -3.774 1.512 -0.970 1.00 72.50 C ATOM 1105 CG LEU A 77 -2.860 1.606 -2.193 1.00 62.24 C ATOM 1106 CD1 LEU A 77 -2.948 2.989 -2.819 1.00 10.13 C ATOM 1107 CD2 LEU A 77 -1.423 1.282 -1.811 1.00 33.23 C ATOM 0 H LEU A 77 -5.642 2.268 -2.920 1.00 15.51 H new ATOM 0 HA LEU A 77 -5.323 0.023 -1.020 1.00 31.32 H new ATOM 0 HB2 LEU A 77 -3.791 2.485 -0.478 1.00 72.50 H new ATOM 0 HB3 LEU A 77 -3.334 0.806 -0.266 1.00 72.50 H new ATOM 0 HG LEU A 77 -3.193 0.874 -2.929 1.00 62.24 H new ATOM 0 HD11 LEU A 77 -2.291 3.038 -3.688 1.00 10.13 H new ATOM 0 HD12 LEU A 77 -3.975 3.183 -3.129 1.00 10.13 H new ATOM 0 HD13 LEU A 77 -2.641 3.739 -2.090 1.00 10.13 H new ATOM 0 HD21 LEU A 77 -0.787 1.354 -2.693 1.00 33.23 H new ATOM 0 HD22 LEU A 77 -1.079 1.990 -1.057 1.00 33.23 H new ATOM 0 HD23 LEU A 77 -1.373 0.270 -1.409 1.00 33.23 H new ATOM 1118 N VAL A 78 -7.224 1.197 0.116 1.00 31.24 N ATOM 1119 CA VAL A 78 -8.207 1.826 0.990 1.00 34.24 C ATOM 1120 C VAL A 78 -8.862 0.801 1.908 1.00 52.00 C ATOM 1121 O VAL A 78 -9.271 -0.273 1.467 1.00 13.34 O ATOM 1122 CB VAL A 78 -9.303 2.543 0.178 1.00 5.03 C ATOM 1123 CG1 VAL A 78 -10.104 3.478 1.071 1.00 15.21 C ATOM 1124 CG2 VAL A 78 -8.688 3.305 -0.988 1.00 14.31 C ATOM 0 H VAL A 78 -7.420 0.221 -0.106 1.00 31.24 H new ATOM 0 HA VAL A 78 -7.671 2.560 1.592 1.00 34.24 H new ATOM 0 HB VAL A 78 -9.983 1.792 -0.224 1.00 5.03 H new ATOM 0 HG11 VAL A 78 -10.873 3.975 0.480 1.00 15.21 H new ATOM 0 HG12 VAL A 78 -10.574 2.904 1.870 1.00 15.21 H new ATOM 0 HG13 VAL A 78 -9.439 4.225 1.504 1.00 15.21 H new ATOM 0 HG21 VAL A 78 -9.475 3.806 -1.551 1.00 14.31 H new ATOM 0 HG22 VAL A 78 -7.986 4.047 -0.608 1.00 14.31 H new ATOM 0 HG23 VAL A 78 -8.162 2.609 -1.641 1.00 14.31 H new ATOM 1134 N LEU A 79 -8.957 1.138 3.190 1.00 1.51 N ATOM 1135 CA LEU A 79 -9.561 0.246 4.173 1.00 34.45 C ATOM 1136 C LEU A 79 -10.840 0.852 4.744 1.00 22.52 C ATOM 1137 O LEU A 79 -10.796 1.845 5.471 1.00 12.34 O ATOM 1138 CB LEU A 79 -8.573 -0.045 5.304 1.00 13.34 C ATOM 1139 CG LEU A 79 -8.835 -1.315 6.114 1.00 2.24 C ATOM 1140 CD1 LEU A 79 -8.682 -2.549 5.237 1.00 24.31 C ATOM 1141 CD2 LEU A 79 -7.897 -1.388 7.310 1.00 5.20 C ATOM 0 H LEU A 79 -8.623 2.023 3.573 1.00 1.51 H new ATOM 0 HA LEU A 79 -9.814 -0.688 3.672 1.00 34.45 H new ATOM 0 HB2 LEU A 79 -7.572 -0.110 4.877 1.00 13.34 H new ATOM 0 HB3 LEU A 79 -8.573 0.804 5.987 1.00 13.34 H new ATOM 0 HG LEU A 79 -9.860 -1.282 6.483 1.00 2.24 H new ATOM 0 HD11 LEU A 79 -8.872 -3.443 5.831 1.00 24.31 H new ATOM 0 HD12 LEU A 79 -9.395 -2.501 4.414 1.00 24.31 H new ATOM 0 HD13 LEU A 79 -7.669 -2.588 4.837 1.00 24.31 H new ATOM 0 HD21 LEU A 79 -8.098 -2.298 7.875 1.00 5.20 H new ATOM 0 HD22 LEU A 79 -6.864 -1.397 6.962 1.00 5.20 H new ATOM 0 HD23 LEU A 79 -8.056 -0.521 7.951 1.00 5.20 H new ATOM 1152 N ARG A 80 -11.976 0.248 4.411 1.00 43.42 N ATOM 1153 CA ARG A 80 -13.266 0.727 4.891 1.00 73.41 C ATOM 1154 C ARG A 80 -13.377 2.241 4.733 1.00 61.11 C ATOM 1155 O ARG A 80 -13.345 2.982 5.716 1.00 23.34 O ATOM 1156 CB ARG A 80 -13.464 0.341 6.358 1.00 24.51 C ATOM 1157 CG ARG A 80 -14.859 0.637 6.884 1.00 22.03 C ATOM 1158 CD ARG A 80 -15.195 -0.226 8.090 1.00 1.02 C ATOM 1159 NE ARG A 80 -14.346 0.083 9.238 1.00 5.25 N ATOM 1160 CZ ARG A 80 -14.420 -0.555 10.400 1.00 15.53 C ATOM 1161 NH1 ARG A 80 -15.301 -1.533 10.568 1.00 23.42 N ATOM 1162 NH2 ARG A 80 -13.614 -0.217 11.397 1.00 31.13 N ATOM 0 H ARG A 80 -12.029 -0.575 3.810 1.00 43.42 H new ATOM 0 HA ARG A 80 -14.046 0.258 4.291 1.00 73.41 H new ATOM 0 HB2 ARG A 80 -13.259 -0.723 6.475 1.00 24.51 H new ATOM 0 HB3 ARG A 80 -12.735 0.875 6.967 1.00 24.51 H new ATOM 0 HG2 ARG A 80 -14.930 1.690 7.158 1.00 22.03 H new ATOM 0 HG3 ARG A 80 -15.591 0.463 6.095 1.00 22.03 H new ATOM 0 HD2 ARG A 80 -16.240 -0.078 8.362 1.00 1.02 H new ATOM 0 HD3 ARG A 80 -15.080 -1.277 7.827 1.00 1.02 H new ATOM 0 HE ARG A 80 -13.658 0.830 9.142 1.00 5.25 H new ATOM 0 HH11 ARG A 80 -15.923 -1.796 9.804 1.00 23.42 H new ATOM 0 HH12 ARG A 80 -15.356 -2.022 11.462 1.00 23.42 H new ATOM 0 HH21 ARG A 80 -12.936 0.534 11.272 1.00 31.13 H new ATOM 0 HH22 ARG A 80 -13.672 -0.708 12.289 1.00 31.13 H new ATOM 1173 N LEU A 81 -13.505 2.692 3.490 1.00 32.34 N ATOM 1174 CA LEU A 81 -13.620 4.119 3.203 1.00 41.52 C ATOM 1175 C LEU A 81 -14.695 4.765 4.070 1.00 55.44 C ATOM 1176 O LEU A 81 -15.485 4.073 4.714 1.00 63.22 O ATOM 1177 CB LEU A 81 -13.945 4.335 1.723 1.00 60.04 C ATOM 1178 CG LEU A 81 -15.378 4.018 1.297 1.00 73.01 C ATOM 1179 CD1 LEU A 81 -15.832 2.694 1.893 1.00 23.13 C ATOM 1180 CD2 LEU A 81 -16.318 5.141 1.710 1.00 34.03 C ATOM 0 H LEU A 81 -13.532 2.092 2.666 1.00 32.34 H new ATOM 0 HA LEU A 81 -12.664 4.589 3.433 1.00 41.52 H new ATOM 0 HB2 LEU A 81 -13.735 5.375 1.474 1.00 60.04 H new ATOM 0 HB3 LEU A 81 -13.267 3.722 1.130 1.00 60.04 H new ATOM 0 HG LEU A 81 -15.403 3.931 0.211 1.00 73.01 H new ATOM 0 HD11 LEU A 81 -16.855 2.485 1.579 1.00 23.13 H new ATOM 0 HD12 LEU A 81 -15.176 1.895 1.547 1.00 23.13 H new ATOM 0 HD13 LEU A 81 -15.791 2.752 2.981 1.00 23.13 H new ATOM 0 HD21 LEU A 81 -17.334 4.898 1.399 1.00 34.03 H new ATOM 0 HD22 LEU A 81 -16.289 5.260 2.793 1.00 34.03 H new ATOM 0 HD23 LEU A 81 -16.005 6.071 1.235 1.00 34.03 H new