USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 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 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 LYS NZ :NH3+ -159:sc= 0.0114 (180deg=0) USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 8 SER OG : rot 26:sc= 0.203 USER MOD Single : A 9 MET CE :methyl 168:sc= -4.73! (180deg=-5.64!) USER MOD Single : A 10 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.2) USER MOD Single : A 15 THR OG1 : rot -39:sc= -1.34 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 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= -3.52! USER MOD Single : A 33 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.4!) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= -0.029 (180deg=-1.35) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.105 (180deg=-0.787) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 49 GLN : amide:sc= -2.15 K(o=-2.1,f=-3.5) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.8!) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00397 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= -0.0307 X(o=-0.031,f=-0.031) USER MOD Single : A 70 GLN : amide:sc=-0.00967 X(o=-0.0097,f=-0.0097) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0742 (180deg=-0.232) USER MOD Single : A 76 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 -0.183 17.387 -7.795 1.00 1.00 N ATOM 92 CA SER A 8 0.982 17.104 -8.623 1.00 42.53 C ATOM 93 C SER A 8 0.917 15.686 -9.185 1.00 1.45 C ATOM 94 O SER A 8 0.995 15.484 -10.397 1.00 45.24 O ATOM 95 CB SER A 8 2.268 17.284 -7.813 1.00 51.31 C ATOM 96 OG SER A 8 2.255 18.510 -7.103 1.00 10.44 O ATOM 0 HA SER A 8 0.984 17.808 -9.455 1.00 42.53 H new ATOM 0 HB2 SER A 8 2.380 16.456 -7.113 1.00 51.31 H new ATOM 0 HB3 SER A 8 3.129 17.256 -8.481 1.00 51.31 H new ATOM 0 HG SER A 8 1.328 18.777 -6.929 1.00 10.44 H new ATOM 101 N MET A 9 0.773 14.709 -8.297 1.00 64.34 N ATOM 102 CA MET A 9 0.696 13.311 -8.703 1.00 33.43 C ATOM 103 C MET A 9 -0.742 12.806 -8.645 1.00 34.33 C ATOM 104 O MET A 9 -1.456 13.050 -7.672 1.00 44.23 O ATOM 105 CB MET A 9 1.588 12.448 -7.809 1.00 1.24 C ATOM 106 CG MET A 9 2.787 13.193 -7.245 1.00 21.43 C ATOM 107 SD MET A 9 4.200 13.186 -8.365 1.00 14.23 S ATOM 108 CE MET A 9 3.681 14.404 -9.572 1.00 13.14 C ATOM 0 H MET A 9 0.707 14.860 -7.290 1.00 64.34 H new ATOM 0 HA MET A 9 1.047 13.238 -9.733 1.00 33.43 H new ATOM 0 HB2 MET A 9 0.992 12.058 -6.984 1.00 1.24 H new ATOM 0 HB3 MET A 9 1.940 11.590 -8.381 1.00 1.24 H new ATOM 0 HG2 MET A 9 2.502 14.223 -7.032 1.00 21.43 H new ATOM 0 HG3 MET A 9 3.078 12.740 -6.297 1.00 21.43 H new ATOM 0 HE1 MET A 9 4.526 14.670 -10.207 1.00 13.14 H new ATOM 0 HE2 MET A 9 2.882 13.990 -10.186 1.00 13.14 H new ATOM 0 HE3 MET A 9 3.319 15.294 -9.058 1.00 13.14 H new ATOM 116 N GLN A 10 -1.161 12.104 -9.692 1.00 32.30 N ATOM 117 CA GLN A 10 -2.515 11.567 -9.759 1.00 2.43 C ATOM 118 C GLN A 10 -2.495 10.082 -10.108 1.00 4.44 C ATOM 119 O GLN A 10 -1.666 9.633 -10.901 1.00 73.22 O ATOM 120 CB GLN A 10 -3.341 12.335 -10.792 1.00 45.02 C ATOM 121 CG GLN A 10 -3.683 13.753 -10.365 1.00 24.01 C ATOM 122 CD GLN A 10 -5.155 14.075 -10.533 1.00 43.41 C ATOM 123 OE1 GLN A 10 -5.842 13.477 -11.363 1.00 62.52 O ATOM 124 NE2 GLN A 10 -5.648 15.023 -9.746 1.00 1.14 N ATOM 0 H GLN A 10 -0.583 11.894 -10.506 1.00 32.30 H new ATOM 0 HA GLN A 10 -2.974 11.685 -8.778 1.00 2.43 H new ATOM 0 HB2 GLN A 10 -2.790 12.370 -11.732 1.00 45.02 H new ATOM 0 HB3 GLN A 10 -4.265 11.790 -10.984 1.00 45.02 H new ATOM 0 HG2 GLN A 10 -3.402 13.892 -9.321 1.00 24.01 H new ATOM 0 HG3 GLN A 10 -3.092 14.457 -10.951 1.00 24.01 H new ATOM 0 HE21 GLN A 10 -5.043 15.492 -9.072 1.00 1.14 H new ATOM 0 HE22 GLN A 10 -6.632 15.282 -9.815 1.00 1.14 H new ATOM 131 N ILE A 11 -3.412 9.326 -9.514 1.00 23.53 N ATOM 132 CA ILE A 11 -3.500 7.894 -9.763 1.00 4.43 C ATOM 133 C ILE A 11 -4.944 7.410 -9.690 1.00 72.15 C ATOM 134 O ILE A 11 -5.840 8.156 -9.295 1.00 34.11 O ATOM 135 CB ILE A 11 -2.650 7.094 -8.758 1.00 23.52 C ATOM 136 CG1 ILE A 11 -1.957 5.924 -9.458 1.00 4.15 C ATOM 137 CG2 ILE A 11 -3.517 6.593 -7.612 1.00 10.23 C ATOM 138 CD1 ILE A 11 -1.125 5.069 -8.528 1.00 24.14 C ATOM 0 H ILE A 11 -4.105 9.683 -8.856 1.00 23.53 H new ATOM 0 HA ILE A 11 -3.114 7.725 -10.768 1.00 4.43 H new ATOM 0 HB ILE A 11 -1.884 7.753 -8.349 1.00 23.52 H new ATOM 0 HG12 ILE A 11 -2.711 5.299 -9.935 1.00 4.15 H new ATOM 0 HG13 ILE A 11 -1.317 6.313 -10.250 1.00 4.15 H new ATOM 0 HG21 ILE A 11 -2.902 6.030 -6.910 1.00 10.23 H new ATOM 0 HG22 ILE A 11 -3.968 7.442 -7.099 1.00 10.23 H new ATOM 0 HG23 ILE A 11 -4.303 5.948 -8.005 1.00 10.23 H new ATOM 0 HD11 ILE A 11 -0.664 4.259 -9.093 1.00 24.14 H new ATOM 0 HD12 ILE A 11 -0.348 5.680 -8.070 1.00 24.14 H new ATOM 0 HD13 ILE A 11 -1.763 4.650 -7.750 1.00 24.14 H new ATOM 149 N PHE A 12 -5.162 6.155 -10.070 1.00 24.24 N ATOM 150 CA PHE A 12 -6.498 5.571 -10.048 1.00 70.05 C ATOM 151 C PHE A 12 -6.642 4.590 -8.887 1.00 24.24 C ATOM 152 O PHE A 12 -5.886 3.625 -8.778 1.00 52.23 O ATOM 153 CB PHE A 12 -6.790 4.860 -11.370 1.00 42.24 C ATOM 154 CG PHE A 12 -8.051 5.329 -12.038 1.00 44.14 C ATOM 155 CD1 PHE A 12 -9.287 5.091 -11.459 1.00 54.54 C ATOM 156 CD2 PHE A 12 -8.000 6.009 -13.243 1.00 22.42 C ATOM 157 CE1 PHE A 12 -10.449 5.520 -12.071 1.00 24.33 C ATOM 158 CE2 PHE A 12 -9.159 6.443 -13.861 1.00 75.42 C ATOM 159 CZ PHE A 12 -10.385 6.198 -13.273 1.00 64.10 C ATOM 0 H PHE A 12 -4.431 5.523 -10.397 1.00 24.24 H new ATOM 0 HA PHE A 12 -7.218 6.378 -9.912 1.00 70.05 H new ATOM 0 HB2 PHE A 12 -5.951 5.013 -12.048 1.00 42.24 H new ATOM 0 HB3 PHE A 12 -6.862 3.788 -11.188 1.00 42.24 H new ATOM 0 HD1 PHE A 12 -9.343 4.564 -10.518 1.00 54.54 H new ATOM 0 HD2 PHE A 12 -7.044 6.203 -13.706 1.00 22.42 H new ATOM 0 HE1 PHE A 12 -11.406 5.326 -11.610 1.00 24.33 H new ATOM 0 HE2 PHE A 12 -9.106 6.972 -14.801 1.00 75.42 H new ATOM 0 HZ PHE A 12 -11.292 6.536 -13.752 1.00 64.10 H new ATOM 168 N VAL A 13 -7.619 4.845 -8.023 1.00 71.35 N ATOM 169 CA VAL A 13 -7.863 3.986 -6.870 1.00 32.32 C ATOM 170 C VAL A 13 -9.348 3.670 -6.726 1.00 52.41 C ATOM 171 O VAL A 13 -10.195 4.559 -6.808 1.00 5.10 O ATOM 172 CB VAL A 13 -7.360 4.635 -5.568 1.00 23.35 C ATOM 173 CG1 VAL A 13 -7.598 3.712 -4.383 1.00 43.11 C ATOM 174 CG2 VAL A 13 -5.886 4.994 -5.688 1.00 75.42 C ATOM 0 H VAL A 13 -8.254 5.639 -8.099 1.00 71.35 H new ATOM 0 HA VAL A 13 -7.311 3.062 -7.042 1.00 32.32 H new ATOM 0 HB VAL A 13 -7.922 5.553 -5.399 1.00 23.35 H new ATOM 0 HG11 VAL A 13 -7.236 4.189 -3.472 1.00 43.11 H new ATOM 0 HG12 VAL A 13 -8.665 3.510 -4.287 1.00 43.11 H new ATOM 0 HG13 VAL A 13 -7.064 2.775 -4.539 1.00 43.11 H new ATOM 0 HG21 VAL A 13 -5.546 5.452 -4.759 1.00 75.42 H new ATOM 0 HG22 VAL A 13 -5.306 4.091 -5.881 1.00 75.42 H new ATOM 0 HG23 VAL A 13 -5.748 5.696 -6.510 1.00 75.42 H new ATOM 184 N LYS A 14 -9.657 2.396 -6.510 1.00 42.31 N ATOM 185 CA LYS A 14 -11.040 1.959 -6.353 1.00 61.34 C ATOM 186 C LYS A 14 -11.257 1.328 -4.981 1.00 15.41 C ATOM 187 O LYS A 14 -10.645 0.312 -4.650 1.00 55.25 O ATOM 188 CB LYS A 14 -11.409 0.959 -7.451 1.00 24.31 C ATOM 189 CG LYS A 14 -11.701 1.611 -8.792 1.00 40.13 C ATOM 190 CD LYS A 14 -13.195 1.763 -9.025 1.00 73.54 C ATOM 191 CE LYS A 14 -13.687 3.138 -8.597 1.00 55.32 C ATOM 192 NZ LYS A 14 -14.796 3.623 -9.464 1.00 34.13 N ATOM 0 H LYS A 14 -8.968 1.647 -6.440 1.00 42.31 H new ATOM 0 HA LYS A 14 -11.684 2.834 -6.438 1.00 61.34 H new ATOM 0 HB2 LYS A 14 -10.593 0.247 -7.572 1.00 24.31 H new ATOM 0 HB3 LYS A 14 -12.283 0.390 -7.134 1.00 24.31 H new ATOM 0 HG2 LYS A 14 -11.224 2.590 -8.833 1.00 40.13 H new ATOM 0 HG3 LYS A 14 -11.266 1.011 -9.592 1.00 40.13 H new ATOM 0 HD2 LYS A 14 -13.418 1.608 -10.081 1.00 73.54 H new ATOM 0 HD3 LYS A 14 -13.731 0.994 -8.469 1.00 73.54 H new ATOM 0 HE2 LYS A 14 -14.026 3.097 -7.562 1.00 55.32 H new ATOM 0 HE3 LYS A 14 -12.860 3.847 -8.633 1.00 55.32 H new ATOM 0 HZ1 LYS A 14 -14.867 4.658 -9.391 1.00 34.13 H new ATOM 0 HZ2 LYS A 14 -14.606 3.358 -10.452 1.00 34.13 H new ATOM 0 HZ3 LYS A 14 -15.691 3.192 -9.156 1.00 34.13 H new ATOM 202 N THR A 15 -12.135 1.935 -4.188 1.00 10.41 N ATOM 203 CA THR A 15 -12.434 1.431 -2.853 1.00 5.05 C ATOM 204 C THR A 15 -13.288 0.170 -2.920 1.00 1.40 C ATOM 205 O THR A 15 -13.596 -0.327 -4.004 1.00 40.25 O ATOM 206 CB THR A 15 -13.166 2.488 -2.005 1.00 0.14 C ATOM 207 OG1 THR A 15 -14.499 2.670 -2.493 1.00 34.43 O ATOM 208 CG2 THR A 15 -12.424 3.816 -2.037 1.00 4.20 C ATOM 0 H THR A 15 -12.651 2.776 -4.447 1.00 10.41 H new ATOM 0 HA THR A 15 -11.479 1.196 -2.383 1.00 5.05 H new ATOM 0 HB THR A 15 -13.202 2.134 -0.975 1.00 0.14 H new ATOM 0 HG1 THR A 15 -14.496 2.640 -3.473 1.00 34.43 H new ATOM 0 HG21 THR A 15 -12.960 4.547 -1.431 1.00 4.20 H new ATOM 0 HG22 THR A 15 -11.419 3.681 -1.638 1.00 4.20 H new ATOM 0 HG23 THR A 15 -12.361 4.173 -3.065 1.00 4.20 H new ATOM 216 N LEU A 16 -13.670 -0.343 -1.755 1.00 64.41 N ATOM 217 CA LEU A 16 -14.489 -1.546 -1.681 1.00 55.52 C ATOM 218 C LEU A 16 -15.941 -1.240 -2.036 1.00 4.22 C ATOM 219 O LEU A 16 -16.644 -2.078 -2.601 1.00 34.04 O ATOM 220 CB LEU A 16 -14.413 -2.154 -0.279 1.00 21.21 C ATOM 221 CG LEU A 16 -13.023 -2.203 0.357 1.00 22.45 C ATOM 222 CD1 LEU A 16 -12.982 -1.349 1.615 1.00 61.30 C ATOM 223 CD2 LEU A 16 -12.630 -3.638 0.670 1.00 73.44 C ATOM 0 H LEU A 16 -13.425 0.056 -0.849 1.00 64.41 H new ATOM 0 HA LEU A 16 -14.101 -2.264 -2.404 1.00 55.52 H new ATOM 0 HB2 LEU A 16 -15.071 -1.586 0.378 1.00 21.21 H new ATOM 0 HB3 LEU A 16 -14.806 -3.170 -0.323 1.00 21.21 H new ATOM 0 HG LEU A 16 -12.304 -1.799 -0.355 1.00 22.45 H new ATOM 0 HD11 LEU A 16 -11.985 -1.396 2.054 1.00 61.30 H new ATOM 0 HD12 LEU A 16 -13.219 -0.316 1.361 1.00 61.30 H new ATOM 0 HD13 LEU A 16 -13.713 -1.723 2.332 1.00 61.30 H new ATOM 0 HD21 LEU A 16 -11.638 -3.653 1.122 1.00 73.44 H new ATOM 0 HD22 LEU A 16 -13.352 -4.070 1.364 1.00 73.44 H new ATOM 0 HD23 LEU A 16 -12.618 -4.221 -0.251 1.00 73.44 H new ATOM 234 N THR A 17 -16.383 -0.030 -1.705 1.00 51.24 N ATOM 235 CA THR A 17 -17.749 0.388 -1.989 1.00 34.13 C ATOM 236 C THR A 17 -17.885 0.887 -3.423 1.00 63.12 C ATOM 237 O THR A 17 -18.944 0.764 -4.036 1.00 21.42 O ATOM 238 CB THR A 17 -18.210 1.499 -1.026 1.00 65.04 C ATOM 239 OG1 THR A 17 -19.627 1.674 -1.121 1.00 73.00 O ATOM 240 CG2 THR A 17 -17.508 2.812 -1.340 1.00 3.21 C ATOM 0 H THR A 17 -15.814 0.677 -1.240 1.00 51.24 H new ATOM 0 HA THR A 17 -18.382 -0.489 -1.850 1.00 34.13 H new ATOM 0 HB THR A 17 -17.950 1.200 -0.010 1.00 65.04 H new ATOM 0 HG1 THR A 17 -19.911 2.381 -0.505 1.00 73.00 H new ATOM 0 HG21 THR A 17 -17.849 3.582 -0.648 1.00 3.21 H new ATOM 0 HG22 THR A 17 -16.431 2.682 -1.236 1.00 3.21 H new ATOM 0 HG23 THR A 17 -17.741 3.114 -2.361 1.00 3.21 H new ATOM 248 N GLY A 18 -16.803 1.449 -3.953 1.00 24.21 N ATOM 249 CA GLY A 18 -16.822 1.958 -5.312 1.00 23.42 C ATOM 250 C GLY A 18 -16.282 3.371 -5.411 1.00 73.14 C ATOM 251 O GLY A 18 -16.066 3.887 -6.507 1.00 4.30 O ATOM 0 H GLY A 18 -15.914 1.561 -3.466 1.00 24.21 H new ATOM 0 HA2 GLY A 18 -16.231 1.301 -5.951 1.00 23.42 H new ATOM 0 HA3 GLY A 18 -17.844 1.936 -5.690 1.00 23.42 H new ATOM 255 N LYS A 19 -16.065 4.001 -4.260 1.00 42.33 N ATOM 256 CA LYS A 19 -15.546 5.363 -4.220 1.00 34.42 C ATOM 257 C LYS A 19 -14.145 5.431 -4.817 1.00 54.21 C ATOM 258 O LYS A 19 -13.381 4.467 -4.747 1.00 73.41 O ATOM 259 CB LYS A 19 -15.524 5.880 -2.779 1.00 54.32 C ATOM 260 CG LYS A 19 -16.815 6.559 -2.356 1.00 15.21 C ATOM 261 CD LYS A 19 -17.003 7.890 -3.065 1.00 40.15 C ATOM 262 CE LYS A 19 -18.279 8.585 -2.618 1.00 54.21 C ATOM 263 NZ LYS A 19 -19.445 8.200 -3.461 1.00 41.23 N ATOM 0 H LYS A 19 -16.241 3.590 -3.343 1.00 42.33 H new ATOM 0 HA LYS A 19 -16.206 5.993 -4.816 1.00 34.42 H new ATOM 0 HB2 LYS A 19 -15.325 5.046 -2.106 1.00 54.32 H new ATOM 0 HB3 LYS A 19 -14.700 6.584 -2.667 1.00 54.32 H new ATOM 0 HG2 LYS A 19 -17.660 5.906 -2.576 1.00 15.21 H new ATOM 0 HG3 LYS A 19 -16.807 6.718 -1.278 1.00 15.21 H new ATOM 0 HD2 LYS A 19 -16.147 8.534 -2.864 1.00 40.15 H new ATOM 0 HD3 LYS A 19 -17.034 7.728 -4.142 1.00 40.15 H new ATOM 0 HE2 LYS A 19 -18.484 8.333 -1.578 1.00 54.21 H new ATOM 0 HE3 LYS A 19 -18.139 9.665 -2.663 1.00 54.21 H new ATOM 0 HZ1 LYS A 19 -20.295 8.695 -3.124 1.00 41.23 H new ATOM 0 HZ2 LYS A 19 -19.260 8.463 -4.450 1.00 41.23 H new ATOM 0 HZ3 LYS A 19 -19.595 7.173 -3.398 1.00 41.23 H new ATOM 273 N THR A 20 -13.811 6.576 -5.405 1.00 21.31 N ATOM 274 CA THR A 20 -12.501 6.770 -6.013 1.00 51.30 C ATOM 275 C THR A 20 -11.764 7.938 -5.372 1.00 21.44 C ATOM 276 O THR A 20 -12.337 9.009 -5.168 1.00 14.03 O ATOM 277 CB THR A 20 -12.618 7.020 -7.529 1.00 33.33 C ATOM 278 OG1 THR A 20 -13.562 6.110 -8.105 1.00 50.15 O ATOM 279 CG2 THR A 20 -11.267 6.857 -8.210 1.00 55.41 C ATOM 0 H THR A 20 -14.431 7.383 -5.473 1.00 21.31 H new ATOM 0 HA THR A 20 -11.936 5.853 -5.845 1.00 51.30 H new ATOM 0 HB THR A 20 -12.962 8.043 -7.681 1.00 33.33 H new ATOM 0 HG1 THR A 20 -13.631 6.277 -9.068 1.00 50.15 H new ATOM 0 HG21 THR A 20 -11.374 7.038 -9.279 1.00 55.41 H new ATOM 0 HG22 THR A 20 -10.559 7.572 -7.790 1.00 55.41 H new ATOM 0 HG23 THR A 20 -10.898 5.844 -8.049 1.00 55.41 H new ATOM 287 N ILE A 21 -10.491 7.728 -5.056 1.00 52.33 N ATOM 288 CA ILE A 21 -9.675 8.766 -4.438 1.00 42.21 C ATOM 289 C ILE A 21 -8.346 8.928 -5.169 1.00 30.11 C ATOM 290 O ILE A 21 -7.683 7.945 -5.501 1.00 1.05 O ATOM 291 CB ILE A 21 -9.398 8.457 -2.955 1.00 24.23 C ATOM 292 CG1 ILE A 21 -9.031 6.983 -2.779 1.00 42.43 C ATOM 293 CG2 ILE A 21 -10.609 8.813 -2.105 1.00 50.21 C ATOM 294 CD1 ILE A 21 -10.231 6.077 -2.612 1.00 70.35 C ATOM 0 H ILE A 21 -10.002 6.848 -5.218 1.00 52.33 H new ATOM 0 HA ILE A 21 -10.241 9.695 -4.507 1.00 42.21 H new ATOM 0 HB ILE A 21 -8.555 9.063 -2.623 1.00 24.23 H new ATOM 0 HG12 ILE A 21 -8.456 6.654 -3.644 1.00 42.43 H new ATOM 0 HG13 ILE A 21 -8.384 6.880 -1.908 1.00 42.43 H new ATOM 0 HG21 ILE A 21 -10.398 8.589 -1.059 1.00 50.21 H new ATOM 0 HG22 ILE A 21 -10.829 9.875 -2.211 1.00 50.21 H new ATOM 0 HG23 ILE A 21 -11.469 8.230 -2.435 1.00 50.21 H new ATOM 0 HD11 ILE A 21 -9.895 5.047 -2.492 1.00 70.35 H new ATOM 0 HD12 ILE A 21 -10.795 6.380 -1.730 1.00 70.35 H new ATOM 0 HD13 ILE A 21 -10.868 6.151 -3.493 1.00 70.35 H new ATOM 305 N THR A 22 -7.961 10.177 -5.415 1.00 51.24 N ATOM 306 CA THR A 22 -6.711 10.468 -6.105 1.00 43.32 C ATOM 307 C THR A 22 -5.522 10.367 -5.157 1.00 42.34 C ATOM 308 O THR A 22 -5.452 11.079 -4.153 1.00 13.23 O ATOM 309 CB THR A 22 -6.731 11.873 -6.736 1.00 34.13 C ATOM 310 OG1 THR A 22 -8.063 12.208 -7.142 1.00 74.01 O ATOM 311 CG2 THR A 22 -5.798 11.944 -7.934 1.00 43.33 C ATOM 0 H THR A 22 -8.497 11.002 -5.147 1.00 51.24 H new ATOM 0 HA THR A 22 -6.607 9.724 -6.895 1.00 43.32 H new ATOM 0 HB THR A 22 -6.388 12.587 -5.987 1.00 34.13 H new ATOM 0 HG1 THR A 22 -8.068 13.103 -7.541 1.00 74.01 H new ATOM 0 HG21 THR A 22 -5.830 12.946 -8.361 1.00 43.33 H new ATOM 0 HG22 THR A 22 -4.780 11.718 -7.616 1.00 43.33 H new ATOM 0 HG23 THR A 22 -6.114 11.219 -8.684 1.00 43.33 H new ATOM 319 N LEU A 23 -4.587 9.479 -5.479 1.00 32.00 N ATOM 320 CA LEU A 23 -3.399 9.286 -4.655 1.00 73.10 C ATOM 321 C LEU A 23 -2.132 9.601 -5.444 1.00 54.51 C ATOM 322 O LEU A 23 -2.136 9.582 -6.674 1.00 2.04 O ATOM 323 CB LEU A 23 -3.346 7.849 -4.133 1.00 11.33 C ATOM 324 CG LEU A 23 -4.635 7.312 -3.511 1.00 72.33 C ATOM 325 CD1 LEU A 23 -4.360 6.037 -2.728 1.00 3.11 C ATOM 326 CD2 LEU A 23 -5.272 8.363 -2.612 1.00 62.25 C ATOM 0 H LEU A 23 -4.629 8.882 -6.305 1.00 32.00 H new ATOM 0 HA LEU A 23 -3.457 9.971 -3.809 1.00 73.10 H new ATOM 0 HB2 LEU A 23 -3.064 7.194 -4.958 1.00 11.33 H new ATOM 0 HB3 LEU A 23 -2.552 7.783 -3.389 1.00 11.33 H new ATOM 0 HG LEU A 23 -5.333 7.078 -4.315 1.00 72.33 H new ATOM 0 HD11 LEU A 23 -5.289 5.670 -2.293 1.00 3.11 H new ATOM 0 HD12 LEU A 23 -3.949 5.281 -3.397 1.00 3.11 H new ATOM 0 HD13 LEU A 23 -3.644 6.246 -1.933 1.00 3.11 H new ATOM 0 HD21 LEU A 23 -6.188 7.963 -2.178 1.00 62.25 H new ATOM 0 HD22 LEU A 23 -4.578 8.628 -1.814 1.00 62.25 H new ATOM 0 HD23 LEU A 23 -5.506 9.251 -3.199 1.00 62.25 H new ATOM 337 N GLU A 24 -1.051 9.885 -4.726 1.00 42.35 N ATOM 338 CA GLU A 24 0.224 10.202 -5.361 1.00 71.13 C ATOM 339 C GLU A 24 1.110 8.963 -5.448 1.00 41.45 C ATOM 340 O GLU A 24 1.043 8.075 -4.598 1.00 11.41 O ATOM 341 CB GLU A 24 0.946 11.304 -4.583 1.00 33.54 C ATOM 342 CG GLU A 24 1.547 10.830 -3.270 1.00 41.43 C ATOM 343 CD GLU A 24 3.062 10.874 -3.274 1.00 64.05 C ATOM 344 OE1 GLU A 24 3.680 10.024 -3.949 1.00 54.42 O ATOM 345 OE2 GLU A 24 3.632 11.758 -2.599 1.00 1.44 O ATOM 0 H GLU A 24 -1.031 9.902 -3.706 1.00 42.35 H new ATOM 0 HA GLU A 24 0.020 10.554 -6.372 1.00 71.13 H new ATOM 0 HB2 GLU A 24 1.738 11.718 -5.207 1.00 33.54 H new ATOM 0 HB3 GLU A 24 0.244 12.113 -4.380 1.00 33.54 H new ATOM 0 HG2 GLU A 24 1.171 11.451 -2.457 1.00 41.43 H new ATOM 0 HG3 GLU A 24 1.217 9.810 -3.071 1.00 41.43 H new ATOM 350 N VAL A 25 1.942 8.909 -6.484 1.00 21.31 N ATOM 351 CA VAL A 25 2.843 7.781 -6.685 1.00 54.15 C ATOM 352 C VAL A 25 4.150 8.228 -7.327 1.00 4.21 C ATOM 353 O VAL A 25 4.181 9.196 -8.087 1.00 74.24 O ATOM 354 CB VAL A 25 2.196 6.695 -7.565 1.00 12.24 C ATOM 355 CG1 VAL A 25 1.349 5.756 -6.720 1.00 14.14 C ATOM 356 CG2 VAL A 25 1.362 7.331 -8.667 1.00 23.12 C ATOM 0 H VAL A 25 2.010 9.635 -7.198 1.00 21.31 H new ATOM 0 HA VAL A 25 3.051 7.364 -5.700 1.00 54.15 H new ATOM 0 HB VAL A 25 2.989 6.110 -8.031 1.00 12.24 H new ATOM 0 HG11 VAL A 25 0.900 4.996 -7.360 1.00 14.14 H new ATOM 0 HG12 VAL A 25 1.977 5.275 -5.970 1.00 14.14 H new ATOM 0 HG13 VAL A 25 0.562 6.323 -6.224 1.00 14.14 H new ATOM 0 HG21 VAL A 25 0.912 6.550 -9.280 1.00 23.12 H new ATOM 0 HG22 VAL A 25 0.576 7.941 -8.222 1.00 23.12 H new ATOM 0 HG23 VAL A 25 2.000 7.958 -9.290 1.00 23.12 H new ATOM 366 N GLU A 26 5.231 7.516 -7.018 1.00 14.05 N ATOM 367 CA GLU A 26 6.541 7.841 -7.567 1.00 24.40 C ATOM 368 C GLU A 26 7.558 6.756 -7.225 1.00 73.41 C ATOM 369 O GLU A 26 7.381 5.976 -6.289 1.00 33.13 O ATOM 370 CB GLU A 26 7.022 9.192 -7.032 1.00 53.11 C ATOM 371 CG GLU A 26 6.994 10.303 -8.069 1.00 51.25 C ATOM 372 CD GLU A 26 8.149 11.273 -7.915 1.00 52.44 C ATOM 373 OE1 GLU A 26 8.324 11.815 -6.803 1.00 51.34 O ATOM 374 OE2 GLU A 26 8.878 11.491 -8.906 1.00 35.24 O ATOM 0 H GLU A 26 5.224 6.712 -6.391 1.00 14.05 H new ATOM 0 HA GLU A 26 6.448 7.900 -8.651 1.00 24.40 H new ATOM 0 HB2 GLU A 26 6.399 9.481 -6.186 1.00 53.11 H new ATOM 0 HB3 GLU A 26 8.039 9.083 -6.656 1.00 53.11 H new ATOM 0 HG2 GLU A 26 7.023 9.865 -9.067 1.00 51.25 H new ATOM 0 HG3 GLU A 26 6.053 10.848 -7.987 1.00 51.25 H new ATOM 379 N PRO A 27 8.650 6.703 -8.002 1.00 23.10 N ATOM 380 CA PRO A 27 9.717 5.718 -7.802 1.00 14.41 C ATOM 381 C PRO A 27 10.516 5.978 -6.530 1.00 24.45 C ATOM 382 O PRO A 27 11.068 5.055 -5.931 1.00 14.30 O ATOM 383 CB PRO A 27 10.603 5.899 -9.037 1.00 65.04 C ATOM 384 CG PRO A 27 10.362 7.303 -9.474 1.00 63.41 C ATOM 385 CD PRO A 27 8.927 7.600 -9.136 1.00 0.14 C ATOM 0 HA PRO A 27 9.323 4.708 -7.688 1.00 14.41 H new ATOM 0 HB2 PRO A 27 11.654 5.734 -8.798 1.00 65.04 H new ATOM 0 HB3 PRO A 27 10.339 5.189 -9.821 1.00 65.04 H new ATOM 0 HG2 PRO A 27 11.034 7.992 -8.963 1.00 63.41 H new ATOM 0 HG3 PRO A 27 10.543 7.416 -10.543 1.00 63.41 H new ATOM 0 HD2 PRO A 27 8.787 8.646 -8.864 1.00 0.14 H new ATOM 0 HD3 PRO A 27 8.266 7.398 -9.979 1.00 0.14 H new ATOM 390 N SER A 28 10.574 7.242 -6.122 1.00 61.52 N ATOM 391 CA SER A 28 11.309 7.625 -4.922 1.00 34.13 C ATOM 392 C SER A 28 10.351 7.979 -3.788 1.00 32.11 C ATOM 393 O SER A 28 10.750 8.063 -2.627 1.00 61.54 O ATOM 394 CB SER A 28 12.227 8.812 -5.218 1.00 53.13 C ATOM 395 OG SER A 28 13.552 8.551 -4.787 1.00 13.11 O ATOM 0 H SER A 28 10.121 8.018 -6.605 1.00 61.52 H new ATOM 0 HA SER A 28 11.915 6.775 -4.610 1.00 34.13 H new ATOM 0 HB2 SER A 28 12.224 9.021 -6.288 1.00 53.13 H new ATOM 0 HB3 SER A 28 11.847 9.703 -4.718 1.00 53.13 H new ATOM 0 HG SER A 28 14.120 9.324 -4.989 1.00 13.11 H new ATOM 400 N ASP A 29 9.085 8.184 -4.134 1.00 12.42 N ATOM 401 CA ASP A 29 8.068 8.528 -3.147 1.00 10.12 C ATOM 402 C ASP A 29 7.313 7.284 -2.689 1.00 30.31 C ATOM 403 O ASP A 29 6.485 6.741 -3.422 1.00 63.43 O ATOM 404 CB ASP A 29 7.088 9.550 -3.727 1.00 61.44 C ATOM 405 CG ASP A 29 6.452 10.413 -2.655 1.00 14.03 C ATOM 406 OD1 ASP A 29 5.451 9.968 -2.053 1.00 25.32 O ATOM 407 OD2 ASP A 29 6.953 11.532 -2.419 1.00 71.12 O ATOM 0 H ASP A 29 8.738 8.118 -5.091 1.00 12.42 H new ATOM 0 HA ASP A 29 8.569 8.966 -2.284 1.00 10.12 H new ATOM 0 HB2 ASP A 29 7.611 10.187 -4.440 1.00 61.44 H new ATOM 0 HB3 ASP A 29 6.307 9.028 -4.280 1.00 61.44 H new ATOM 411 N THR A 30 7.603 6.836 -1.472 1.00 65.42 N ATOM 412 CA THR A 30 6.954 5.655 -0.916 1.00 24.41 C ATOM 413 C THR A 30 5.597 6.005 -0.317 1.00 50.31 C ATOM 414 O THR A 30 5.238 7.179 -0.211 1.00 51.23 O ATOM 415 CB THR A 30 7.825 4.992 0.168 1.00 4.13 C ATOM 416 OG1 THR A 30 9.191 5.393 0.011 1.00 64.51 O ATOM 417 CG2 THR A 30 7.724 3.476 0.090 1.00 64.42 C ATOM 0 H THR A 30 8.284 7.274 -0.852 1.00 65.42 H new ATOM 0 HA THR A 30 6.816 4.954 -1.739 1.00 24.41 H new ATOM 0 HB THR A 30 7.462 5.315 1.144 1.00 4.13 H new ATOM 0 HG1 THR A 30 9.738 4.969 0.705 1.00 64.51 H new ATOM 0 HG21 THR A 30 8.347 3.029 0.865 1.00 64.42 H new ATOM 0 HG22 THR A 30 6.688 3.172 0.238 1.00 64.42 H new ATOM 0 HG23 THR A 30 8.065 3.139 -0.889 1.00 64.42 H new ATOM 425 N ILE A 31 4.845 4.981 0.072 1.00 60.04 N ATOM 426 CA ILE A 31 3.528 5.181 0.663 1.00 13.43 C ATOM 427 C ILE A 31 3.603 6.103 1.875 1.00 23.05 C ATOM 428 O ILE A 31 2.619 6.750 2.236 1.00 43.55 O ATOM 429 CB ILE A 31 2.892 3.844 1.088 1.00 70.11 C ATOM 430 CG1 ILE A 31 2.427 3.061 -0.142 1.00 62.40 C ATOM 431 CG2 ILE A 31 1.730 4.088 2.038 1.00 1.14 C ATOM 432 CD1 ILE A 31 3.550 2.352 -0.867 1.00 21.04 C ATOM 0 H ILE A 31 5.126 4.004 -0.012 1.00 60.04 H new ATOM 0 HA ILE A 31 2.906 5.643 -0.104 1.00 13.43 H new ATOM 0 HB ILE A 31 3.643 3.251 1.610 1.00 70.11 H new ATOM 0 HG12 ILE A 31 1.683 2.326 0.165 1.00 62.40 H new ATOM 0 HG13 ILE A 31 1.934 3.745 -0.833 1.00 62.40 H new ATOM 0 HG21 ILE A 31 1.291 3.134 2.329 1.00 1.14 H new ATOM 0 HG22 ILE A 31 2.089 4.608 2.926 1.00 1.14 H new ATOM 0 HG23 ILE A 31 0.975 4.698 1.541 1.00 1.14 H new ATOM 0 HD11 ILE A 31 3.147 1.818 -1.728 1.00 21.04 H new ATOM 0 HD12 ILE A 31 4.284 3.084 -1.205 1.00 21.04 H new ATOM 0 HD13 ILE A 31 4.029 1.643 -0.191 1.00 21.04 H new ATOM 443 N GLU A 32 4.776 6.161 2.497 1.00 1.15 N ATOM 444 CA GLU A 32 4.979 7.006 3.667 1.00 2.12 C ATOM 445 C GLU A 32 4.494 8.428 3.402 1.00 24.21 C ATOM 446 O GLU A 32 3.682 8.968 4.151 1.00 35.35 O ATOM 447 CB GLU A 32 6.457 7.025 4.060 1.00 42.14 C ATOM 448 CG GLU A 32 6.717 7.644 5.424 1.00 2.12 C ATOM 449 CD GLU A 32 8.056 7.233 6.006 1.00 13.20 C ATOM 450 OE1 GLU A 32 8.628 6.232 5.529 1.00 2.21 O ATOM 451 OE2 GLU A 32 8.529 7.913 6.940 1.00 4.12 O ATOM 0 H GLU A 32 5.600 5.633 2.210 1.00 1.15 H new ATOM 0 HA GLU A 32 4.397 6.589 4.489 1.00 2.12 H new ATOM 0 HB2 GLU A 32 6.839 6.004 4.055 1.00 42.14 H new ATOM 0 HB3 GLU A 32 7.017 7.578 3.307 1.00 42.14 H new ATOM 0 HG2 GLU A 32 6.680 8.730 5.339 1.00 2.12 H new ATOM 0 HG3 GLU A 32 5.922 7.351 6.109 1.00 2.12 H new ATOM 456 N ASN A 33 5.001 9.030 2.330 1.00 35.11 N ATOM 457 CA ASN A 33 4.621 10.390 1.966 1.00 34.32 C ATOM 458 C ASN A 33 3.254 10.411 1.289 1.00 14.41 C ATOM 459 O ASN A 33 2.505 11.380 1.408 1.00 52.12 O ATOM 460 CB ASN A 33 5.671 11.004 1.038 1.00 52.44 C ATOM 461 CG ASN A 33 5.271 12.379 0.542 1.00 23.21 C ATOM 462 OD1 ASN A 33 4.314 12.524 -0.219 1.00 45.23 O ATOM 463 ND2 ASN A 33 6.004 13.400 0.972 1.00 43.10 N ATOM 0 H ASN A 33 5.676 8.597 1.699 1.00 35.11 H new ATOM 0 HA ASN A 33 4.563 10.981 2.880 1.00 34.32 H new ATOM 0 HB2 ASN A 33 6.622 11.074 1.566 1.00 52.44 H new ATOM 0 HB3 ASN A 33 5.828 10.344 0.185 1.00 52.44 H new ATOM 0 HD21 ASN A 33 5.782 14.349 0.672 1.00 43.10 H new ATOM 0 HD22 ASN A 33 6.789 13.235 1.602 1.00 43.10 H new ATOM 469 N VAL A 34 2.935 9.333 0.578 1.00 71.33 N ATOM 470 CA VAL A 34 1.658 9.225 -0.116 1.00 4.42 C ATOM 471 C VAL A 34 0.492 9.312 0.862 1.00 12.14 C ATOM 472 O VAL A 34 -0.577 9.824 0.528 1.00 4.32 O ATOM 473 CB VAL A 34 1.557 7.905 -0.903 1.00 11.14 C ATOM 474 CG1 VAL A 34 0.244 7.839 -1.669 1.00 44.31 C ATOM 475 CG2 VAL A 34 2.742 7.756 -1.846 1.00 14.24 C ATOM 0 H VAL A 34 3.544 8.522 0.468 1.00 71.33 H new ATOM 0 HA VAL A 34 1.605 10.060 -0.814 1.00 4.42 H new ATOM 0 HB VAL A 34 1.579 7.077 -0.195 1.00 11.14 H new ATOM 0 HG11 VAL A 34 0.190 6.899 -2.219 1.00 44.31 H new ATOM 0 HG12 VAL A 34 -0.589 7.897 -0.969 1.00 44.31 H new ATOM 0 HG13 VAL A 34 0.189 8.673 -2.369 1.00 44.31 H new ATOM 0 HG21 VAL A 34 2.655 6.818 -2.394 1.00 14.24 H new ATOM 0 HG22 VAL A 34 2.754 8.588 -2.550 1.00 14.24 H new ATOM 0 HG23 VAL A 34 3.667 7.755 -1.270 1.00 14.24 H new ATOM 485 N LYS A 35 0.703 8.807 2.073 1.00 21.03 N ATOM 486 CA LYS A 35 -0.329 8.828 3.102 1.00 30.13 C ATOM 487 C LYS A 35 -0.887 10.236 3.284 1.00 13.14 C ATOM 488 O LYS A 35 -2.040 10.411 3.681 1.00 43.22 O ATOM 489 CB LYS A 35 0.234 8.317 4.430 1.00 2.34 C ATOM 490 CG LYS A 35 0.938 9.388 5.245 1.00 50.31 C ATOM 491 CD LYS A 35 1.677 8.790 6.430 1.00 63.33 C ATOM 492 CE LYS A 35 1.392 9.559 7.710 1.00 65.51 C ATOM 493 NZ LYS A 35 0.493 8.802 8.624 1.00 70.45 N ATOM 0 H LYS A 35 1.581 8.378 2.366 1.00 21.03 H new ATOM 0 HA LYS A 35 -1.139 8.173 2.781 1.00 30.13 H new ATOM 0 HB2 LYS A 35 -0.579 7.898 5.022 1.00 2.34 H new ATOM 0 HB3 LYS A 35 0.934 7.506 4.230 1.00 2.34 H new ATOM 0 HG2 LYS A 35 1.642 9.926 4.610 1.00 50.31 H new ATOM 0 HG3 LYS A 35 0.208 10.116 5.600 1.00 50.31 H new ATOM 0 HD2 LYS A 35 1.381 7.749 6.557 1.00 63.33 H new ATOM 0 HD3 LYS A 35 2.749 8.795 6.232 1.00 63.33 H new ATOM 0 HE2 LYS A 35 2.331 9.775 8.221 1.00 65.51 H new ATOM 0 HE3 LYS A 35 0.936 10.518 7.464 1.00 65.51 H new ATOM 0 HZ1 LYS A 35 0.685 9.079 9.608 1.00 70.45 H new ATOM 0 HZ2 LYS A 35 -0.498 9.015 8.391 1.00 70.45 H new ATOM 0 HZ3 LYS A 35 0.663 7.782 8.512 1.00 70.45 H new ATOM 503 N ALA A 36 -0.064 11.237 2.989 1.00 11.13 N ATOM 504 CA ALA A 36 -0.477 12.629 3.117 1.00 32.43 C ATOM 505 C ALA A 36 -1.433 13.024 1.996 1.00 55.13 C ATOM 506 O ALA A 36 -2.326 13.849 2.188 1.00 73.43 O ATOM 507 CB ALA A 36 0.740 13.542 3.121 1.00 31.44 C ATOM 0 H ALA A 36 0.893 11.110 2.660 1.00 11.13 H new ATOM 0 HA ALA A 36 -1.004 12.740 4.064 1.00 32.43 H new ATOM 0 HB1 ALA A 36 0.417 14.579 3.217 1.00 31.44 H new ATOM 0 HB2 ALA A 36 1.386 13.284 3.960 1.00 31.44 H new ATOM 0 HB3 ALA A 36 1.291 13.419 2.188 1.00 31.44 H new ATOM 513 N LYS A 37 -1.240 12.429 0.824 1.00 40.21 N ATOM 514 CA LYS A 37 -2.084 12.717 -0.329 1.00 10.44 C ATOM 515 C LYS A 37 -3.439 12.028 -0.197 1.00 22.22 C ATOM 516 O LYS A 37 -4.485 12.664 -0.337 1.00 11.41 O ATOM 517 CB LYS A 37 -1.395 12.264 -1.619 1.00 74.03 C ATOM 518 CG LYS A 37 -1.111 13.399 -2.587 1.00 42.01 C ATOM 519 CD LYS A 37 0.313 13.910 -2.446 1.00 11.22 C ATOM 520 CE LYS A 37 0.343 15.346 -1.947 1.00 5.33 C ATOM 521 NZ LYS A 37 0.050 16.318 -3.037 1.00 31.32 N ATOM 0 H LYS A 37 -0.506 11.744 0.648 1.00 40.21 H new ATOM 0 HA LYS A 37 -2.245 13.794 -0.369 1.00 10.44 H new ATOM 0 HB2 LYS A 37 -0.457 11.770 -1.366 1.00 74.03 H new ATOM 0 HB3 LYS A 37 -2.022 11.523 -2.115 1.00 74.03 H new ATOM 0 HG2 LYS A 37 -1.276 13.057 -3.609 1.00 42.01 H new ATOM 0 HG3 LYS A 37 -1.811 14.215 -2.407 1.00 42.01 H new ATOM 0 HD2 LYS A 37 0.863 13.272 -1.754 1.00 11.22 H new ATOM 0 HD3 LYS A 37 0.820 13.848 -3.409 1.00 11.22 H new ATOM 0 HE2 LYS A 37 -0.386 15.468 -1.146 1.00 5.33 H new ATOM 0 HE3 LYS A 37 1.323 15.562 -1.521 1.00 5.33 H new ATOM 0 HZ1 LYS A 37 0.080 17.286 -2.657 1.00 31.32 H new ATOM 0 HZ2 LYS A 37 0.761 16.220 -3.790 1.00 31.32 H new ATOM 0 HZ3 LYS A 37 -0.895 16.128 -3.426 1.00 31.32 H new ATOM 531 N ILE A 38 -3.413 10.728 0.076 1.00 24.21 N ATOM 532 CA ILE A 38 -4.640 9.956 0.230 1.00 63.43 C ATOM 533 C ILE A 38 -5.469 10.469 1.403 1.00 2.55 C ATOM 534 O ILE A 38 -6.698 10.456 1.357 1.00 14.24 O ATOM 535 CB ILE A 38 -4.340 8.460 0.444 1.00 13.00 C ATOM 536 CG1 ILE A 38 -5.634 7.694 0.723 1.00 71.13 C ATOM 537 CG2 ILE A 38 -3.351 8.276 1.586 1.00 51.20 C ATOM 538 CD1 ILE A 38 -5.927 7.521 2.197 1.00 53.43 C ATOM 0 H ILE A 38 -2.556 10.187 0.195 1.00 24.21 H new ATOM 0 HA ILE A 38 -5.207 10.077 -0.693 1.00 63.43 H new ATOM 0 HB ILE A 38 -3.892 8.060 -0.466 1.00 13.00 H new ATOM 0 HG12 ILE A 38 -6.466 8.219 0.255 1.00 71.13 H new ATOM 0 HG13 ILE A 38 -5.573 6.711 0.255 1.00 71.13 H new ATOM 0 HG21 ILE A 38 -3.149 7.214 1.725 1.00 51.20 H new ATOM 0 HG22 ILE A 38 -2.422 8.794 1.349 1.00 51.20 H new ATOM 0 HG23 ILE A 38 -3.773 8.688 2.503 1.00 51.20 H new ATOM 0 HD11 ILE A 38 -6.859 6.969 2.320 1.00 53.43 H new ATOM 0 HD12 ILE A 38 -5.113 6.969 2.667 1.00 53.43 H new ATOM 0 HD13 ILE A 38 -6.020 8.500 2.667 1.00 53.43 H new ATOM 549 N GLN A 39 -4.787 10.922 2.449 1.00 75.33 N ATOM 550 CA GLN A 39 -5.461 11.441 3.633 1.00 74.11 C ATOM 551 C GLN A 39 -6.243 12.708 3.302 1.00 72.31 C ATOM 552 O GLN A 39 -7.252 13.011 3.941 1.00 4.41 O ATOM 553 CB GLN A 39 -4.445 11.729 4.740 1.00 22.42 C ATOM 554 CG GLN A 39 -5.076 12.231 6.029 1.00 5.01 C ATOM 555 CD GLN A 39 -4.045 12.688 7.043 1.00 21.22 C ATOM 556 OE1 GLN A 39 -2.902 12.230 7.033 1.00 1.43 O ATOM 557 NE2 GLN A 39 -4.445 13.597 7.926 1.00 50.50 N ATOM 0 H GLN A 39 -3.768 10.940 2.501 1.00 75.33 H new ATOM 0 HA GLN A 39 -6.162 10.683 3.982 1.00 74.11 H new ATOM 0 HB2 GLN A 39 -3.882 10.820 4.951 1.00 22.42 H new ATOM 0 HB3 GLN A 39 -3.731 12.470 4.382 1.00 22.42 H new ATOM 0 HG2 GLN A 39 -5.749 13.058 5.802 1.00 5.01 H new ATOM 0 HG3 GLN A 39 -5.683 11.438 6.465 1.00 5.01 H new ATOM 0 HE21 GLN A 39 -5.402 13.949 7.898 1.00 50.50 H new ATOM 0 HE22 GLN A 39 -3.795 13.943 8.632 1.00 50.50 H new ATOM 564 N ASP A 40 -5.772 13.444 2.303 1.00 3.13 N ATOM 565 CA ASP A 40 -6.428 14.678 1.886 1.00 61.10 C ATOM 566 C ASP A 40 -7.702 14.379 1.103 1.00 14.04 C ATOM 567 O ASP A 40 -8.629 15.189 1.071 1.00 11.33 O ATOM 568 CB ASP A 40 -5.479 15.524 1.036 1.00 44.34 C ATOM 569 CG ASP A 40 -6.141 16.779 0.503 1.00 1.12 C ATOM 570 OD1 ASP A 40 -7.071 17.286 1.165 1.00 12.24 O ATOM 571 OD2 ASP A 40 -5.729 17.254 -0.576 1.00 13.22 O ATOM 0 H ASP A 40 -4.938 13.208 1.766 1.00 3.13 H new ATOM 0 HA ASP A 40 -6.697 15.237 2.782 1.00 61.10 H new ATOM 0 HB2 ASP A 40 -4.610 15.801 1.633 1.00 44.34 H new ATOM 0 HB3 ASP A 40 -5.114 14.927 0.201 1.00 44.34 H new ATOM 575 N LYS A 41 -7.741 13.212 0.471 1.00 15.50 N ATOM 576 CA LYS A 41 -8.901 12.803 -0.313 1.00 12.04 C ATOM 577 C LYS A 41 -10.071 12.439 0.595 1.00 44.23 C ATOM 578 O LYS A 41 -11.154 13.013 0.487 1.00 41.40 O ATOM 579 CB LYS A 41 -8.546 11.613 -1.207 1.00 64.00 C ATOM 580 CG LYS A 41 -7.246 11.794 -1.972 1.00 0.51 C ATOM 581 CD LYS A 41 -7.337 12.942 -2.963 1.00 12.53 C ATOM 582 CE LYS A 41 -6.026 13.707 -3.053 1.00 52.55 C ATOM 583 NZ LYS A 41 -6.073 14.981 -2.285 1.00 72.51 N ATOM 0 H LYS A 41 -6.982 12.531 0.486 1.00 15.50 H new ATOM 0 HA LYS A 41 -9.198 13.644 -0.940 1.00 12.04 H new ATOM 0 HB2 LYS A 41 -8.474 10.716 -0.592 1.00 64.00 H new ATOM 0 HB3 LYS A 41 -9.356 11.448 -1.917 1.00 64.00 H new ATOM 0 HG2 LYS A 41 -6.433 11.981 -1.270 1.00 0.51 H new ATOM 0 HG3 LYS A 41 -7.004 10.873 -2.502 1.00 0.51 H new ATOM 0 HD2 LYS A 41 -7.601 12.554 -3.947 1.00 12.53 H new ATOM 0 HD3 LYS A 41 -8.135 13.621 -2.663 1.00 12.53 H new ATOM 0 HE2 LYS A 41 -5.216 13.084 -2.674 1.00 52.55 H new ATOM 0 HE3 LYS A 41 -5.802 13.921 -4.098 1.00 52.55 H new ATOM 0 HZ1 LYS A 41 -5.104 15.301 -2.083 1.00 72.51 H new ATOM 0 HZ2 LYS A 41 -6.567 15.705 -2.844 1.00 72.51 H new ATOM 0 HZ3 LYS A 41 -6.581 14.828 -1.390 1.00 72.51 H new ATOM 593 N GLU A 42 -9.844 11.484 1.491 1.00 51.32 N ATOM 594 CA GLU A 42 -10.880 11.045 2.418 1.00 51.25 C ATOM 595 C GLU A 42 -10.376 11.090 3.858 1.00 61.11 C ATOM 596 O GLU A 42 -11.144 11.331 4.789 1.00 53.41 O ATOM 597 CB GLU A 42 -11.339 9.627 2.071 1.00 63.34 C ATOM 598 CG GLU A 42 -10.710 8.553 2.943 1.00 32.50 C ATOM 599 CD GLU A 42 -11.418 8.395 4.275 1.00 13.11 C ATOM 600 OE1 GLU A 42 -12.613 8.747 4.358 1.00 11.41 O ATOM 601 OE2 GLU A 42 -10.776 7.918 5.235 1.00 3.23 O ATOM 0 H GLU A 42 -8.952 11.000 1.595 1.00 51.32 H new ATOM 0 HA GLU A 42 -11.726 11.726 2.326 1.00 51.25 H new ATOM 0 HB2 GLU A 42 -12.423 9.572 2.166 1.00 63.34 H new ATOM 0 HB3 GLU A 42 -11.100 9.422 1.027 1.00 63.34 H new ATOM 0 HG2 GLU A 42 -10.728 7.602 2.411 1.00 32.50 H new ATOM 0 HG3 GLU A 42 -9.663 8.800 3.119 1.00 32.50 H new ATOM 606 N GLY A 43 -9.079 10.856 4.033 1.00 12.13 N ATOM 607 CA GLY A 43 -8.494 10.873 5.361 1.00 34.32 C ATOM 608 C GLY A 43 -8.500 9.506 6.015 1.00 33.43 C ATOM 609 O GLY A 43 -8.865 9.371 7.184 1.00 10.20 O ATOM 0 H GLY A 43 -8.423 10.655 3.278 1.00 12.13 H new ATOM 0 HA2 GLY A 43 -7.469 11.238 5.298 1.00 34.32 H new ATOM 0 HA3 GLY A 43 -9.044 11.575 5.988 1.00 34.32 H new ATOM 613 N ILE A 44 -8.096 8.489 5.261 1.00 31.23 N ATOM 614 CA ILE A 44 -8.058 7.126 5.774 1.00 61.13 C ATOM 615 C ILE A 44 -6.726 6.834 6.458 1.00 44.12 C ATOM 616 O ILE A 44 -5.681 7.373 6.093 1.00 1.43 O ATOM 617 CB ILE A 44 -8.283 6.095 4.653 1.00 64.21 C ATOM 618 CG1 ILE A 44 -9.572 5.310 4.904 1.00 53.30 C ATOM 619 CG2 ILE A 44 -7.093 5.152 4.553 1.00 23.51 C ATOM 620 CD1 ILE A 44 -10.540 5.349 3.741 1.00 71.43 C ATOM 0 H ILE A 44 -7.790 8.584 4.292 1.00 31.23 H new ATOM 0 HA ILE A 44 -8.865 7.040 6.502 1.00 61.13 H new ATOM 0 HB ILE A 44 -8.381 6.626 3.706 1.00 64.21 H new ATOM 0 HG12 ILE A 44 -9.319 4.272 5.121 1.00 53.30 H new ATOM 0 HG13 ILE A 44 -10.065 5.710 5.790 1.00 53.30 H new ATOM 0 HG21 ILE A 44 -7.268 4.429 3.756 1.00 23.51 H new ATOM 0 HG22 ILE A 44 -6.192 5.725 4.332 1.00 23.51 H new ATOM 0 HG23 ILE A 44 -6.966 4.625 5.499 1.00 23.51 H new ATOM 0 HD11 ILE A 44 -11.431 4.772 3.989 1.00 71.43 H new ATOM 0 HD12 ILE A 44 -10.822 6.382 3.537 1.00 71.43 H new ATOM 0 HD13 ILE A 44 -10.065 4.921 2.858 1.00 71.43 H new ATOM 631 N PRO A 45 -6.761 5.959 7.473 1.00 75.21 N ATOM 632 CA PRO A 45 -5.566 5.573 8.228 1.00 72.42 C ATOM 633 C PRO A 45 -4.607 4.723 7.401 1.00 61.05 C ATOM 634 O PRO A 45 -4.909 3.590 7.027 1.00 12.11 O ATOM 635 CB PRO A 45 -6.130 4.759 9.395 1.00 73.20 C ATOM 636 CG PRO A 45 -7.430 4.230 8.895 1.00 74.23 C ATOM 637 CD PRO A 45 -7.972 5.278 7.963 1.00 14.24 C ATOM 0 HA PRO A 45 -4.983 6.440 8.538 1.00 72.42 H new ATOM 0 HB2 PRO A 45 -5.455 3.950 9.676 1.00 73.20 H new ATOM 0 HB3 PRO A 45 -6.269 5.380 10.280 1.00 73.20 H new ATOM 0 HG2 PRO A 45 -7.292 3.281 8.377 1.00 74.23 H new ATOM 0 HG3 PRO A 45 -8.119 4.046 9.719 1.00 74.23 H new ATOM 0 HD2 PRO A 45 -8.541 4.834 7.146 1.00 14.24 H new ATOM 0 HD3 PRO A 45 -8.640 5.968 8.479 1.00 14.24 H new ATOM 642 N PRO A 46 -3.423 5.281 7.109 1.00 1.14 N ATOM 643 CA PRO A 46 -2.395 4.591 6.323 1.00 15.14 C ATOM 644 C PRO A 46 -1.770 3.426 7.083 1.00 10.20 C ATOM 645 O PRO A 46 -1.221 2.503 6.481 1.00 41.12 O ATOM 646 CB PRO A 46 -1.354 5.682 6.064 1.00 74.11 C ATOM 647 CG PRO A 46 -1.529 6.647 7.186 1.00 35.25 C ATOM 648 CD PRO A 46 -2.996 6.627 7.522 1.00 24.23 C ATOM 0 HA PRO A 46 -2.804 4.150 5.414 1.00 15.14 H new ATOM 0 HB2 PRO A 46 -0.345 5.271 6.049 1.00 74.11 H new ATOM 0 HB3 PRO A 46 -1.516 6.163 5.099 1.00 74.11 H new ATOM 0 HG2 PRO A 46 -0.927 6.358 8.047 1.00 35.25 H new ATOM 0 HG3 PRO A 46 -1.209 7.647 6.895 1.00 35.25 H new ATOM 0 HD2 PRO A 46 -3.167 6.794 8.586 1.00 24.23 H new ATOM 0 HD3 PRO A 46 -3.541 7.404 6.986 1.00 24.23 H new ATOM 653 N ASP A 47 -1.856 3.475 8.408 1.00 14.44 N ATOM 654 CA ASP A 47 -1.301 2.423 9.250 1.00 64.20 C ATOM 655 C ASP A 47 -2.242 1.224 9.315 1.00 73.23 C ATOM 656 O ASP A 47 -1.832 0.121 9.675 1.00 50.14 O ATOM 657 CB ASP A 47 -1.034 2.955 10.659 1.00 31.12 C ATOM 658 CG ASP A 47 0.292 3.684 10.761 1.00 50.00 C ATOM 659 OD1 ASP A 47 1.282 3.197 10.176 1.00 32.42 O ATOM 660 OD2 ASP A 47 0.339 4.739 11.427 1.00 21.40 O ATOM 0 H ASP A 47 -2.305 4.233 8.922 1.00 14.44 H new ATOM 0 HA ASP A 47 -0.359 2.098 8.808 1.00 64.20 H new ATOM 0 HB2 ASP A 47 -1.840 3.630 10.948 1.00 31.12 H new ATOM 0 HB3 ASP A 47 -1.044 2.125 11.366 1.00 31.12 H new ATOM 664 N GLN A 48 -3.504 1.449 8.966 1.00 23.15 N ATOM 665 CA GLN A 48 -4.504 0.388 8.988 1.00 23.22 C ATOM 666 C GLN A 48 -4.885 -0.028 7.571 1.00 50.32 C ATOM 667 O GLN A 48 -5.328 -1.153 7.344 1.00 55.41 O ATOM 668 CB GLN A 48 -5.748 0.846 9.750 1.00 55.14 C ATOM 669 CG GLN A 48 -5.496 1.106 11.226 1.00 73.15 C ATOM 670 CD GLN A 48 -5.542 -0.161 12.058 1.00 41.34 C ATOM 671 OE1 GLN A 48 -4.604 -0.960 12.046 1.00 31.43 O ATOM 672 NE2 GLN A 48 -6.636 -0.352 12.786 1.00 54.31 N ATOM 0 H GLN A 48 -3.859 2.357 8.665 1.00 23.15 H new ATOM 0 HA GLN A 48 -4.073 -0.474 9.497 1.00 23.22 H new ATOM 0 HB2 GLN A 48 -6.131 1.757 9.289 1.00 55.14 H new ATOM 0 HB3 GLN A 48 -6.524 0.088 9.651 1.00 55.14 H new ATOM 0 HG2 GLN A 48 -4.522 1.580 11.346 1.00 73.15 H new ATOM 0 HG3 GLN A 48 -6.241 1.809 11.600 1.00 73.15 H new ATOM 0 HE21 GLN A 48 -7.389 0.336 12.766 1.00 54.31 H new ATOM 0 HE22 GLN A 48 -6.724 -1.187 13.365 1.00 54.31 H new ATOM 679 N GLN A 49 -4.710 0.887 6.623 1.00 3.31 N ATOM 680 CA GLN A 49 -5.037 0.613 5.228 1.00 62.23 C ATOM 681 C GLN A 49 -4.117 -0.458 4.653 1.00 74.13 C ATOM 682 O GLN A 49 -2.992 -0.641 5.120 1.00 34.35 O ATOM 683 CB GLN A 49 -4.931 1.893 4.398 1.00 2.42 C ATOM 684 CG GLN A 49 -3.514 2.211 3.948 1.00 14.11 C ATOM 685 CD GLN A 49 -3.435 3.480 3.122 1.00 21.42 C ATOM 686 OE1 GLN A 49 -4.441 3.953 2.592 1.00 43.12 O ATOM 687 NE2 GLN A 49 -2.236 4.040 3.010 1.00 71.02 N ATOM 0 H GLN A 49 -4.344 1.823 6.795 1.00 3.31 H new ATOM 0 HA GLN A 49 -6.062 0.245 5.186 1.00 62.23 H new ATOM 0 HB2 GLN A 49 -5.570 1.801 3.520 1.00 2.42 H new ATOM 0 HB3 GLN A 49 -5.313 2.729 4.984 1.00 2.42 H new ATOM 0 HG2 GLN A 49 -2.873 2.311 4.824 1.00 14.11 H new ATOM 0 HG3 GLN A 49 -3.127 1.377 3.363 1.00 14.11 H new ATOM 0 HE21 GLN A 49 -1.429 3.614 3.466 1.00 71.02 H new ATOM 0 HE22 GLN A 49 -2.122 4.896 2.468 1.00 71.02 H new ATOM 694 N ARG A 50 -4.602 -1.165 3.636 1.00 65.33 N ATOM 695 CA ARG A 50 -3.823 -2.219 2.998 1.00 72.43 C ATOM 696 C ARG A 50 -3.506 -1.860 1.550 1.00 31.31 C ATOM 697 O ARG A 50 -4.298 -1.200 0.875 1.00 63.14 O ATOM 698 CB ARG A 50 -4.583 -3.546 3.052 1.00 25.10 C ATOM 699 CG ARG A 50 -6.046 -3.427 2.657 1.00 63.20 C ATOM 700 CD ARG A 50 -6.710 -4.791 2.560 1.00 51.33 C ATOM 701 NE ARG A 50 -7.392 -5.157 3.799 1.00 42.44 N ATOM 702 CZ ARG A 50 -8.591 -4.699 4.140 1.00 73.44 C ATOM 703 NH1 ARG A 50 -9.237 -3.863 3.341 1.00 22.05 N ATOM 704 NH2 ARG A 50 -9.146 -5.078 5.285 1.00 5.50 N ATOM 0 H ARG A 50 -5.530 -1.026 3.237 1.00 65.33 H new ATOM 0 HA ARG A 50 -2.884 -2.323 3.541 1.00 72.43 H new ATOM 0 HB2 ARG A 50 -4.094 -4.262 2.391 1.00 25.10 H new ATOM 0 HB3 ARG A 50 -4.520 -3.950 4.062 1.00 25.10 H new ATOM 0 HG2 ARG A 50 -6.573 -2.816 3.390 1.00 63.20 H new ATOM 0 HG3 ARG A 50 -6.125 -2.914 1.698 1.00 63.20 H new ATOM 0 HD2 ARG A 50 -7.427 -4.788 1.739 1.00 51.33 H new ATOM 0 HD3 ARG A 50 -5.958 -5.544 2.324 1.00 51.33 H new ATOM 0 HE ARG A 50 -6.922 -5.799 4.437 1.00 42.44 H new ATOM 0 HH11 ARG A 50 -8.814 -3.569 2.461 1.00 22.05 H new ATOM 0 HH12 ARG A 50 -10.158 -3.513 3.606 1.00 22.05 H new ATOM 0 HH21 ARG A 50 -8.651 -5.721 5.903 1.00 5.50 H new ATOM 0 HH22 ARG A 50 -10.067 -4.726 5.547 1.00 5.50 H new ATOM 715 N LEU A 51 -2.343 -2.298 1.079 1.00 34.24 N ATOM 716 CA LEU A 51 -1.920 -2.022 -0.290 1.00 35.15 C ATOM 717 C LEU A 51 -2.286 -3.177 -1.215 1.00 2.50 C ATOM 718 O LEU A 51 -1.915 -4.325 -0.968 1.00 15.23 O ATOM 719 CB LEU A 51 -0.412 -1.773 -0.338 1.00 62.44 C ATOM 720 CG LEU A 51 0.040 -0.338 -0.061 1.00 44.15 C ATOM 721 CD1 LEU A 51 -0.561 0.169 1.241 1.00 31.31 C ATOM 722 CD2 LEU A 51 1.560 -0.258 -0.015 1.00 32.55 C ATOM 0 H LEU A 51 -1.677 -2.845 1.624 1.00 34.24 H new ATOM 0 HA LEU A 51 -2.440 -1.128 -0.632 1.00 35.15 H new ATOM 0 HB2 LEU A 51 0.068 -2.430 0.387 1.00 62.44 H new ATOM 0 HB3 LEU A 51 -0.047 -2.064 -1.323 1.00 62.44 H new ATOM 0 HG LEU A 51 -0.314 0.298 -0.873 1.00 44.15 H new ATOM 0 HD11 LEU A 51 -0.228 1.191 1.422 1.00 31.31 H new ATOM 0 HD12 LEU A 51 -1.649 0.148 1.172 1.00 31.31 H new ATOM 0 HD13 LEU A 51 -0.237 -0.469 2.064 1.00 31.31 H new ATOM 0 HD21 LEU A 51 1.864 0.770 0.183 1.00 32.55 H new ATOM 0 HD22 LEU A 51 1.935 -0.906 0.777 1.00 32.55 H new ATOM 0 HD23 LEU A 51 1.970 -0.580 -0.972 1.00 32.55 H new ATOM 733 N ILE A 52 -3.012 -2.866 -2.284 1.00 52.33 N ATOM 734 CA ILE A 52 -3.425 -3.878 -3.249 1.00 73.23 C ATOM 735 C ILE A 52 -2.936 -3.532 -4.651 1.00 52.44 C ATOM 736 O ILE A 52 -3.321 -2.510 -5.219 1.00 24.53 O ATOM 737 CB ILE A 52 -4.956 -4.039 -3.276 1.00 34.00 C ATOM 738 CG1 ILE A 52 -5.447 -4.676 -1.973 1.00 22.55 C ATOM 739 CG2 ILE A 52 -5.379 -4.877 -4.472 1.00 2.35 C ATOM 740 CD1 ILE A 52 -5.496 -3.709 -0.810 1.00 51.44 C ATOM 0 H ILE A 52 -3.326 -1.921 -2.504 1.00 52.33 H new ATOM 0 HA ILE A 52 -2.975 -4.819 -2.932 1.00 73.23 H new ATOM 0 HB ILE A 52 -5.409 -3.052 -3.370 1.00 34.00 H new ATOM 0 HG12 ILE A 52 -6.442 -5.090 -2.133 1.00 22.55 H new ATOM 0 HG13 ILE A 52 -4.792 -5.509 -1.716 1.00 22.55 H new ATOM 0 HG21 ILE A 52 -6.464 -4.982 -4.477 1.00 2.35 H new ATOM 0 HG22 ILE A 52 -5.057 -4.388 -5.391 1.00 2.35 H new ATOM 0 HG23 ILE A 52 -4.919 -5.863 -4.406 1.00 2.35 H new ATOM 0 HD11 ILE A 52 -5.853 -4.228 0.080 1.00 51.44 H new ATOM 0 HD12 ILE A 52 -4.498 -3.313 -0.624 1.00 51.44 H new ATOM 0 HD13 ILE A 52 -6.173 -2.888 -1.047 1.00 51.44 H new ATOM 751 N PHE A 53 -2.088 -4.393 -5.205 1.00 23.42 N ATOM 752 CA PHE A 53 -1.547 -4.179 -6.542 1.00 20.04 C ATOM 753 C PHE A 53 -1.995 -5.284 -7.493 1.00 51.23 C ATOM 754 O PHE A 53 -1.728 -6.463 -7.261 1.00 12.52 O ATOM 755 CB PHE A 53 -0.019 -4.120 -6.494 1.00 61.20 C ATOM 756 CG PHE A 53 0.626 -4.171 -7.849 1.00 1.13 C ATOM 757 CD1 PHE A 53 0.078 -3.482 -8.919 1.00 35.32 C ATOM 758 CD2 PHE A 53 1.781 -4.907 -8.054 1.00 40.52 C ATOM 759 CE1 PHE A 53 0.669 -3.527 -10.167 1.00 52.21 C ATOM 760 CE2 PHE A 53 2.377 -4.957 -9.300 1.00 64.13 C ATOM 761 CZ PHE A 53 1.820 -4.265 -10.358 1.00 41.12 C ATOM 0 H PHE A 53 -1.761 -5.245 -4.749 1.00 23.42 H new ATOM 0 HA PHE A 53 -1.929 -3.228 -6.913 1.00 20.04 H new ATOM 0 HB2 PHE A 53 0.285 -3.203 -5.990 1.00 61.20 H new ATOM 0 HB3 PHE A 53 0.350 -4.951 -5.893 1.00 61.20 H new ATOM 0 HD1 PHE A 53 -0.822 -2.903 -8.776 1.00 35.32 H new ATOM 0 HD2 PHE A 53 2.222 -5.449 -7.230 1.00 40.52 H new ATOM 0 HE1 PHE A 53 0.231 -2.985 -10.992 1.00 52.21 H new ATOM 0 HE2 PHE A 53 3.277 -5.536 -9.446 1.00 64.13 H new ATOM 0 HZ PHE A 53 2.284 -4.301 -11.333 1.00 41.12 H new ATOM 770 N ALA A 54 -2.678 -4.895 -8.564 1.00 2.24 N ATOM 771 CA ALA A 54 -3.162 -5.852 -9.551 1.00 1.33 C ATOM 772 C ALA A 54 -4.008 -6.938 -8.895 1.00 21.15 C ATOM 773 O ALA A 54 -4.041 -8.077 -9.358 1.00 61.10 O ATOM 774 CB ALA A 54 -1.993 -6.472 -10.302 1.00 2.03 C ATOM 0 H ALA A 54 -2.909 -3.923 -8.770 1.00 2.24 H new ATOM 0 HA ALA A 54 -3.793 -5.317 -10.261 1.00 1.33 H new ATOM 0 HB1 ALA A 54 -2.369 -7.185 -11.036 1.00 2.03 H new ATOM 0 HB2 ALA A 54 -1.431 -5.689 -10.811 1.00 2.03 H new ATOM 0 HB3 ALA A 54 -1.340 -6.987 -9.597 1.00 2.03 H new ATOM 780 N GLY A 55 -4.690 -6.576 -7.813 1.00 74.22 N ATOM 781 CA GLY A 55 -5.526 -7.532 -7.110 1.00 71.43 C ATOM 782 C GLY A 55 -4.773 -8.269 -6.019 1.00 62.42 C ATOM 783 O GLY A 55 -5.379 -8.832 -5.107 1.00 1.11 O ATOM 0 H GLY A 55 -4.679 -5.639 -7.411 1.00 74.22 H new ATOM 0 HA2 GLY A 55 -6.378 -7.012 -6.672 1.00 71.43 H new ATOM 0 HA3 GLY A 55 -5.926 -8.254 -7.823 1.00 71.43 H new ATOM 787 N LYS A 56 -3.448 -8.267 -6.113 1.00 61.15 N ATOM 788 CA LYS A 56 -2.609 -8.940 -5.127 1.00 31.04 C ATOM 789 C LYS A 56 -2.059 -7.945 -4.111 1.00 72.04 C ATOM 790 O LYS A 56 -1.427 -6.955 -4.478 1.00 4.11 O ATOM 791 CB LYS A 56 -1.456 -9.668 -5.820 1.00 5.34 C ATOM 792 CG LYS A 56 -0.594 -10.485 -4.873 1.00 33.11 C ATOM 793 CD LYS A 56 -0.988 -11.952 -4.887 1.00 52.03 C ATOM 794 CE LYS A 56 0.174 -12.844 -4.475 1.00 74.33 C ATOM 795 NZ LYS A 56 -0.128 -14.285 -4.696 1.00 54.13 N ATOM 0 H LYS A 56 -2.931 -7.807 -6.862 1.00 61.15 H new ATOM 0 HA LYS A 56 -3.225 -9.668 -4.599 1.00 31.04 H new ATOM 0 HB2 LYS A 56 -1.863 -10.327 -6.587 1.00 5.34 H new ATOM 0 HB3 LYS A 56 -0.829 -8.936 -6.328 1.00 5.34 H new ATOM 0 HG2 LYS A 56 0.454 -10.386 -5.156 1.00 33.11 H new ATOM 0 HG3 LYS A 56 -0.689 -10.091 -3.861 1.00 33.11 H new ATOM 0 HD2 LYS A 56 -1.828 -12.111 -4.211 1.00 52.03 H new ATOM 0 HD3 LYS A 56 -1.326 -12.230 -5.885 1.00 52.03 H new ATOM 0 HE2 LYS A 56 1.063 -12.568 -5.042 1.00 74.33 H new ATOM 0 HE3 LYS A 56 0.404 -12.678 -3.422 1.00 74.33 H new ATOM 0 HZ1 LYS A 56 0.688 -14.860 -4.403 1.00 54.13 H new ATOM 0 HZ2 LYS A 56 -0.961 -14.555 -4.135 1.00 54.13 H new ATOM 0 HZ3 LYS A 56 -0.322 -14.448 -5.705 1.00 54.13 H new ATOM 805 N GLN A 57 -2.301 -8.216 -2.833 1.00 75.12 N ATOM 806 CA GLN A 57 -1.829 -7.344 -1.764 1.00 45.35 C ATOM 807 C GLN A 57 -0.326 -7.505 -1.556 1.00 72.13 C ATOM 808 O GLN A 57 0.221 -8.597 -1.719 1.00 24.21 O ATOM 809 CB GLN A 57 -2.571 -7.649 -0.462 1.00 4.12 C ATOM 810 CG GLN A 57 -1.948 -6.995 0.762 1.00 3.54 C ATOM 811 CD GLN A 57 -2.967 -6.687 1.841 1.00 25.03 C ATOM 812 OE1 GLN A 57 -4.162 -6.927 1.669 1.00 32.52 O ATOM 813 NE2 GLN A 57 -2.497 -6.153 2.962 1.00 10.15 N ATOM 0 H GLN A 57 -2.821 -9.033 -2.512 1.00 75.12 H new ATOM 0 HA GLN A 57 -2.030 -6.313 -2.055 1.00 45.35 H new ATOM 0 HB2 GLN A 57 -3.604 -7.315 -0.556 1.00 4.12 H new ATOM 0 HB3 GLN A 57 -2.597 -8.728 -0.313 1.00 4.12 H new ATOM 0 HG2 GLN A 57 -1.180 -7.653 1.170 1.00 3.54 H new ATOM 0 HG3 GLN A 57 -1.451 -6.072 0.463 1.00 3.54 H new ATOM 0 HE21 GLN A 57 -1.498 -5.971 3.061 1.00 10.15 H new ATOM 0 HE22 GLN A 57 -3.135 -5.925 3.725 1.00 10.15 H new ATOM 820 N LEU A 58 0.336 -6.412 -1.193 1.00 3.22 N ATOM 821 CA LEU A 58 1.777 -6.431 -0.962 1.00 74.44 C ATOM 822 C LEU A 58 2.121 -5.793 0.381 1.00 45.42 C ATOM 823 O LEU A 58 1.236 -5.497 1.182 1.00 63.01 O ATOM 824 CB LEU A 58 2.504 -5.697 -2.090 1.00 22.50 C ATOM 825 CG LEU A 58 2.248 -4.192 -2.186 1.00 51.52 C ATOM 826 CD1 LEU A 58 3.465 -3.480 -2.754 1.00 24.21 C ATOM 827 CD2 LEU A 58 1.018 -3.914 -3.037 1.00 40.44 C ATOM 0 H LEU A 58 -0.102 -5.501 -1.052 1.00 3.22 H new ATOM 0 HA LEU A 58 2.104 -7.471 -0.944 1.00 74.44 H new ATOM 0 HB2 LEU A 58 3.575 -5.856 -1.969 1.00 22.50 H new ATOM 0 HB3 LEU A 58 2.219 -6.155 -3.037 1.00 22.50 H new ATOM 0 HG LEU A 58 2.064 -3.808 -1.182 1.00 51.52 H new ATOM 0 HD11 LEU A 58 3.265 -2.410 -2.815 1.00 24.21 H new ATOM 0 HD12 LEU A 58 4.323 -3.652 -2.105 1.00 24.21 H new ATOM 0 HD13 LEU A 58 3.681 -3.866 -3.750 1.00 24.21 H new ATOM 0 HD21 LEU A 58 0.851 -2.838 -3.094 1.00 40.44 H new ATOM 0 HD22 LEU A 58 1.172 -4.311 -4.040 1.00 40.44 H new ATOM 0 HD23 LEU A 58 0.148 -4.393 -2.587 1.00 40.44 H new ATOM 890 N THR A 63 11.019 1.921 -1.285 1.00 14.31 N ATOM 891 CA THR A 63 10.343 2.744 -2.280 1.00 10.40 C ATOM 892 C THR A 63 9.910 1.910 -3.481 1.00 51.12 C ATOM 893 O THR A 63 10.432 0.819 -3.713 1.00 51.31 O ATOM 894 CB THR A 63 11.247 3.892 -2.766 1.00 3.11 C ATOM 895 OG1 THR A 63 12.501 3.370 -3.221 1.00 31.55 O ATOM 896 CG2 THR A 63 11.485 4.901 -1.653 1.00 44.00 C ATOM 0 HA THR A 63 9.461 3.165 -1.797 1.00 10.40 H new ATOM 0 HB THR A 63 10.744 4.397 -3.591 1.00 3.11 H new ATOM 0 HG1 THR A 63 13.069 4.106 -3.529 1.00 31.55 H new ATOM 0 HG21 THR A 63 12.126 5.703 -2.020 1.00 44.00 H new ATOM 0 HG22 THR A 63 10.531 5.318 -1.330 1.00 44.00 H new ATOM 0 HG23 THR A 63 11.968 4.406 -0.811 1.00 44.00 H new ATOM 904 N LEU A 64 8.954 2.430 -4.243 1.00 62.20 N ATOM 905 CA LEU A 64 8.451 1.734 -5.421 1.00 11.41 C ATOM 906 C LEU A 64 9.597 1.311 -6.335 1.00 52.34 C ATOM 907 O LEU A 64 9.583 0.218 -6.901 1.00 72.01 O ATOM 908 CB LEU A 64 7.477 2.628 -6.190 1.00 35.31 C ATOM 909 CG LEU A 64 6.370 3.283 -5.360 1.00 41.04 C ATOM 910 CD1 LEU A 64 5.338 3.934 -6.267 1.00 31.11 C ATOM 911 CD2 LEU A 64 5.711 2.259 -4.448 1.00 70.23 C ATOM 0 H LEU A 64 8.512 3.332 -4.066 1.00 62.20 H new ATOM 0 HA LEU A 64 7.927 0.839 -5.086 1.00 11.41 H new ATOM 0 HB2 LEU A 64 8.048 3.415 -6.683 1.00 35.31 H new ATOM 0 HB3 LEU A 64 7.011 2.033 -6.975 1.00 35.31 H new ATOM 0 HG LEU A 64 6.818 4.058 -4.738 1.00 41.04 H new ATOM 0 HD11 LEU A 64 4.559 4.394 -5.660 1.00 31.11 H new ATOM 0 HD12 LEU A 64 5.820 4.697 -6.878 1.00 31.11 H new ATOM 0 HD13 LEU A 64 4.894 3.178 -6.914 1.00 31.11 H new ATOM 0 HD21 LEU A 64 4.927 2.742 -3.865 1.00 70.23 H new ATOM 0 HD22 LEU A 64 5.276 1.461 -5.051 1.00 70.23 H new ATOM 0 HD23 LEU A 64 6.457 1.839 -3.774 1.00 70.23 H new ATOM 922 N SER A 65 10.591 2.183 -6.472 1.00 31.10 N ATOM 923 CA SER A 65 11.745 1.901 -7.317 1.00 42.40 C ATOM 924 C SER A 65 12.636 0.837 -6.683 1.00 55.11 C ATOM 925 O SER A 65 13.263 0.041 -7.382 1.00 72.34 O ATOM 926 CB SER A 65 12.551 3.178 -7.560 1.00 71.24 C ATOM 927 OG SER A 65 13.745 2.901 -8.270 1.00 40.33 O ATOM 0 H SER A 65 10.620 3.091 -6.008 1.00 31.10 H new ATOM 0 HA SER A 65 11.380 1.523 -8.272 1.00 42.40 H new ATOM 0 HB2 SER A 65 11.948 3.891 -8.122 1.00 71.24 H new ATOM 0 HB3 SER A 65 12.792 3.646 -6.606 1.00 71.24 H new ATOM 0 HG SER A 65 14.241 3.734 -8.414 1.00 40.33 H new ATOM 932 N GLU A 66 12.685 0.830 -5.354 1.00 40.42 N ATOM 933 CA GLU A 66 13.499 -0.135 -4.626 1.00 64.12 C ATOM 934 C GLU A 66 12.849 -1.515 -4.640 1.00 55.25 C ATOM 935 O GLU A 66 13.536 -2.538 -4.669 1.00 24.52 O ATOM 936 CB GLU A 66 13.709 0.328 -3.182 1.00 41.32 C ATOM 937 CG GLU A 66 14.837 1.334 -3.023 1.00 50.51 C ATOM 938 CD GLU A 66 16.203 0.721 -3.263 1.00 41.32 C ATOM 939 OE1 GLU A 66 16.266 -0.483 -3.590 1.00 33.42 O ATOM 940 OE2 GLU A 66 17.210 1.447 -3.125 1.00 54.51 O ATOM 0 H GLU A 66 12.171 1.481 -4.761 1.00 40.42 H new ATOM 0 HA GLU A 66 14.467 -0.204 -5.122 1.00 64.12 H new ATOM 0 HB2 GLU A 66 12.784 0.771 -2.813 1.00 41.32 H new ATOM 0 HB3 GLU A 66 13.918 -0.541 -2.558 1.00 41.32 H new ATOM 0 HG2 GLU A 66 14.685 2.158 -3.720 1.00 50.51 H new ATOM 0 HG3 GLU A 66 14.804 1.756 -2.019 1.00 50.51 H new ATOM 945 N TYR A 67 11.521 -1.537 -4.617 1.00 53.43 N ATOM 946 CA TYR A 67 10.778 -2.792 -4.624 1.00 31.20 C ATOM 947 C TYR A 67 10.584 -3.303 -6.048 1.00 31.42 C ATOM 948 O TYR A 67 10.102 -4.415 -6.260 1.00 44.12 O ATOM 949 CB TYR A 67 9.418 -2.607 -3.947 1.00 24.41 C ATOM 950 CG TYR A 67 9.151 -3.604 -2.842 1.00 50.31 C ATOM 951 CD1 TYR A 67 8.758 -4.905 -3.134 1.00 44.42 C ATOM 952 CD2 TYR A 67 9.290 -3.247 -1.507 1.00 30.34 C ATOM 953 CE1 TYR A 67 8.512 -5.819 -2.128 1.00 4.52 C ATOM 954 CE2 TYR A 67 9.047 -4.155 -0.496 1.00 64.24 C ATOM 955 CZ TYR A 67 8.659 -5.440 -0.811 1.00 33.24 C ATOM 956 OH TYR A 67 8.415 -6.347 0.194 1.00 31.41 O ATOM 0 H TYR A 67 10.937 -0.701 -4.593 1.00 53.43 H new ATOM 0 HA TYR A 67 11.356 -3.530 -4.068 1.00 31.20 H new ATOM 0 HB2 TYR A 67 9.360 -1.599 -3.537 1.00 24.41 H new ATOM 0 HB3 TYR A 67 8.633 -2.691 -4.698 1.00 24.41 H new ATOM 0 HD1 TYR A 67 8.643 -5.206 -4.165 1.00 44.42 H new ATOM 0 HD2 TYR A 67 9.593 -2.241 -1.255 1.00 30.34 H new ATOM 0 HE1 TYR A 67 8.206 -6.826 -2.372 1.00 4.52 H new ATOM 0 HE2 TYR A 67 9.160 -3.860 0.537 1.00 64.24 H new ATOM 0 HH TYR A 67 8.566 -5.920 1.063 1.00 31.41 H new ATOM 965 N ASN A 68 10.963 -2.481 -7.022 1.00 34.43 N ATOM 966 CA ASN A 68 10.831 -2.848 -8.426 1.00 3.03 C ATOM 967 C ASN A 68 9.387 -3.209 -8.762 1.00 25.45 C ATOM 968 O ASN A 68 9.131 -4.082 -9.591 1.00 43.31 O ATOM 969 CB ASN A 68 11.752 -4.025 -8.756 1.00 30.11 C ATOM 970 CG ASN A 68 13.099 -3.915 -8.068 1.00 23.22 C ATOM 971 OD1 ASN A 68 13.512 -4.818 -7.340 1.00 31.34 O ATOM 972 ND2 ASN A 68 13.791 -2.805 -8.296 1.00 62.20 N ATOM 0 H ASN A 68 11.364 -1.557 -6.864 1.00 34.43 H new ATOM 0 HA ASN A 68 11.121 -1.987 -9.029 1.00 3.03 H new ATOM 0 HB2 ASN A 68 11.269 -4.956 -8.457 1.00 30.11 H new ATOM 0 HB3 ASN A 68 11.901 -4.075 -9.835 1.00 30.11 H new ATOM 0 HD21 ASN A 68 14.704 -2.675 -7.860 1.00 62.20 H new ATOM 0 HD22 ASN A 68 13.410 -2.083 -8.907 1.00 62.20 H new ATOM 978 N ILE A 69 8.448 -2.529 -8.113 1.00 52.11 N ATOM 979 CA ILE A 69 7.030 -2.777 -8.343 1.00 25.04 C ATOM 980 C ILE A 69 6.426 -1.710 -9.252 1.00 43.24 C ATOM 981 O ILE A 69 6.982 -0.623 -9.401 1.00 31.01 O ATOM 982 CB ILE A 69 6.242 -2.813 -7.020 1.00 42.41 C ATOM 983 CG1 ILE A 69 6.532 -1.558 -6.194 1.00 40.40 C ATOM 984 CG2 ILE A 69 6.592 -4.066 -6.230 1.00 1.44 C ATOM 985 CD1 ILE A 69 5.712 -1.467 -4.926 1.00 12.00 C ATOM 0 H ILE A 69 8.643 -1.803 -7.424 1.00 52.11 H new ATOM 0 HA ILE A 69 6.955 -3.750 -8.828 1.00 25.04 H new ATOM 0 HB ILE A 69 5.177 -2.836 -7.249 1.00 42.41 H new ATOM 0 HG12 ILE A 69 7.591 -1.540 -5.935 1.00 40.40 H new ATOM 0 HG13 ILE A 69 6.339 -0.677 -6.806 1.00 40.40 H new ATOM 0 HG21 ILE A 69 6.028 -4.078 -5.298 1.00 1.44 H new ATOM 0 HG22 ILE A 69 6.340 -4.949 -6.818 1.00 1.44 H new ATOM 0 HG23 ILE A 69 7.659 -4.070 -6.008 1.00 1.44 H new ATOM 0 HD11 ILE A 69 5.970 -0.553 -4.391 1.00 12.00 H new ATOM 0 HD12 ILE A 69 4.652 -1.453 -5.179 1.00 12.00 H new ATOM 0 HD13 ILE A 69 5.923 -2.329 -4.294 1.00 12.00 H new ATOM 996 N GLN A 70 5.286 -2.031 -9.854 1.00 3.14 N ATOM 997 CA GLN A 70 4.607 -1.100 -10.748 1.00 73.41 C ATOM 998 C GLN A 70 3.543 -0.305 -9.998 1.00 75.31 C ATOM 999 O GLN A 70 2.500 0.038 -10.556 1.00 44.04 O ATOM 1000 CB GLN A 70 3.969 -1.854 -11.915 1.00 53.12 C ATOM 1001 CG GLN A 70 4.879 -2.903 -12.532 1.00 53.21 C ATOM 1002 CD GLN A 70 6.234 -2.345 -12.919 1.00 65.31 C ATOM 1003 OE1 GLN A 70 6.327 -1.319 -13.593 1.00 1.43 O ATOM 1004 NE2 GLN A 70 7.296 -3.019 -12.492 1.00 44.04 N ATOM 0 H GLN A 70 4.813 -2.927 -9.739 1.00 3.14 H new ATOM 0 HA GLN A 70 5.349 -0.403 -11.138 1.00 73.41 H new ATOM 0 HB2 GLN A 70 3.055 -2.336 -11.569 1.00 53.12 H new ATOM 0 HB3 GLN A 70 3.680 -1.138 -12.684 1.00 53.12 H new ATOM 0 HG2 GLN A 70 5.016 -3.721 -11.825 1.00 53.21 H new ATOM 0 HG3 GLN A 70 4.397 -3.322 -13.415 1.00 53.21 H new ATOM 0 HE21 GLN A 70 7.173 -3.865 -11.936 1.00 44.04 H new ATOM 0 HE22 GLN A 70 8.234 -2.691 -12.721 1.00 44.04 H new ATOM 1011 N LYS A 71 3.811 -0.016 -8.729 1.00 63.45 N ATOM 1012 CA LYS A 71 2.879 0.740 -7.901 1.00 13.22 C ATOM 1013 C LYS A 71 2.641 2.131 -8.481 1.00 52.32 C ATOM 1014 O LYS A 71 1.655 2.789 -8.151 1.00 21.02 O ATOM 1015 CB LYS A 71 3.411 0.855 -6.472 1.00 62.34 C ATOM 1016 CG LYS A 71 2.612 1.808 -5.600 1.00 73.40 C ATOM 1017 CD LYS A 71 2.386 1.236 -4.210 1.00 31.45 C ATOM 1018 CE LYS A 71 1.337 2.029 -3.446 1.00 53.03 C ATOM 1019 NZ LYS A 71 1.635 3.488 -3.445 1.00 71.35 N ATOM 0 H LYS A 71 4.668 -0.295 -8.251 1.00 63.45 H new ATOM 0 HA LYS A 71 1.929 0.205 -7.886 1.00 13.22 H new ATOM 0 HB2 LYS A 71 3.409 -0.133 -6.012 1.00 62.34 H new ATOM 0 HB3 LYS A 71 4.448 1.189 -6.505 1.00 62.34 H new ATOM 0 HG2 LYS A 71 3.139 2.759 -5.522 1.00 73.40 H new ATOM 0 HG3 LYS A 71 1.651 2.014 -6.071 1.00 73.40 H new ATOM 0 HD2 LYS A 71 2.071 0.196 -4.290 1.00 31.45 H new ATOM 0 HD3 LYS A 71 3.324 1.243 -3.655 1.00 31.45 H new ATOM 0 HE2 LYS A 71 0.357 1.859 -3.892 1.00 53.03 H new ATOM 0 HE3 LYS A 71 1.286 1.668 -2.419 1.00 53.03 H new ATOM 0 HZ1 LYS A 71 1.022 3.967 -2.754 1.00 71.35 H new ATOM 0 HZ2 LYS A 71 2.631 3.639 -3.187 1.00 71.35 H new ATOM 0 HZ3 LYS A 71 1.460 3.879 -4.393 1.00 71.35 H new ATOM 1029 N GLU A 72 3.550 2.571 -9.345 1.00 51.24 N ATOM 1030 CA GLU A 72 3.437 3.884 -9.970 1.00 14.40 C ATOM 1031 C GLU A 72 2.572 3.816 -11.226 1.00 64.44 C ATOM 1032 O GLU A 72 2.956 4.313 -12.284 1.00 71.41 O ATOM 1033 CB GLU A 72 4.823 4.426 -10.321 1.00 62.31 C ATOM 1034 CG GLU A 72 5.653 3.477 -11.169 1.00 51.01 C ATOM 1035 CD GLU A 72 6.798 4.176 -11.877 1.00 53.23 C ATOM 1036 OE1 GLU A 72 6.669 5.384 -12.166 1.00 15.45 O ATOM 1037 OE2 GLU A 72 7.823 3.513 -12.142 1.00 71.32 O ATOM 0 H GLU A 72 4.372 2.038 -9.628 1.00 51.24 H new ATOM 0 HA GLU A 72 2.961 4.558 -9.258 1.00 14.40 H new ATOM 0 HB2 GLU A 72 4.710 5.370 -10.853 1.00 62.31 H new ATOM 0 HB3 GLU A 72 5.363 4.642 -9.399 1.00 62.31 H new ATOM 0 HG2 GLU A 72 6.052 2.685 -10.536 1.00 51.01 H new ATOM 0 HG3 GLU A 72 5.010 3.000 -11.909 1.00 51.01 H new ATOM 1042 N SER A 73 1.403 3.196 -11.099 1.00 4.30 N ATOM 1043 CA SER A 73 0.486 3.059 -12.223 1.00 13.25 C ATOM 1044 C SER A 73 -0.958 2.959 -11.738 1.00 50.32 C ATOM 1045 O SER A 73 -1.713 3.930 -11.792 1.00 53.13 O ATOM 1046 CB SER A 73 0.844 1.825 -13.054 1.00 10.14 C ATOM 1047 OG SER A 73 -0.216 1.473 -13.927 1.00 62.30 O ATOM 0 H SER A 73 1.069 2.781 -10.229 1.00 4.30 H new ATOM 0 HA SER A 73 0.580 3.948 -12.847 1.00 13.25 H new ATOM 0 HB2 SER A 73 1.746 2.022 -13.633 1.00 10.14 H new ATOM 0 HB3 SER A 73 1.067 0.989 -12.391 1.00 10.14 H new ATOM 0 HG SER A 73 0.038 0.683 -14.448 1.00 62.30 H new ATOM 1052 N THR A 74 -1.335 1.775 -11.264 1.00 63.23 N ATOM 1053 CA THR A 74 -2.686 1.545 -10.770 1.00 22.31 C ATOM 1054 C THR A 74 -2.667 0.780 -9.451 1.00 1.35 C ATOM 1055 O THR A 74 -2.353 -0.410 -9.418 1.00 71.22 O ATOM 1056 CB THR A 74 -3.533 0.763 -11.792 1.00 51.44 C ATOM 1057 OG1 THR A 74 -2.937 0.851 -13.091 1.00 4.12 O ATOM 1058 CG2 THR A 74 -4.954 1.302 -11.843 1.00 14.32 C ATOM 0 H THR A 74 -0.723 0.961 -11.212 1.00 63.23 H new ATOM 0 HA THR A 74 -3.135 2.525 -10.612 1.00 22.31 H new ATOM 0 HB THR A 74 -3.569 -0.280 -11.479 1.00 51.44 H new ATOM 0 HG1 THR A 74 -3.480 0.350 -13.735 1.00 4.12 H new ATOM 0 HG21 THR A 74 -5.533 0.734 -12.572 1.00 14.32 H new ATOM 0 HG22 THR A 74 -5.415 1.207 -10.860 1.00 14.32 H new ATOM 0 HG23 THR A 74 -4.935 2.352 -12.134 1.00 14.32 H new ATOM 1066 N LEU A 75 -3.005 1.471 -8.368 1.00 52.34 N ATOM 1067 CA LEU A 75 -3.027 0.855 -7.045 1.00 30.02 C ATOM 1068 C LEU A 75 -4.317 1.199 -6.306 1.00 42.32 C ATOM 1069 O LEU A 75 -4.947 2.220 -6.580 1.00 10.54 O ATOM 1070 CB LEU A 75 -1.819 1.314 -6.227 1.00 72.02 C ATOM 1071 CG LEU A 75 -0.743 0.258 -5.969 1.00 24.10 C ATOM 1072 CD1 LEU A 75 -1.168 -0.673 -4.846 1.00 52.33 C ATOM 1073 CD2 LEU A 75 -0.455 -0.530 -7.239 1.00 62.32 C ATOM 0 H LEU A 75 -3.267 2.457 -8.379 1.00 52.34 H new ATOM 0 HA LEU A 75 -2.981 -0.226 -7.174 1.00 30.02 H new ATOM 0 HB2 LEU A 75 -1.357 2.157 -6.741 1.00 72.02 H new ATOM 0 HB3 LEU A 75 -2.176 1.683 -5.265 1.00 72.02 H new ATOM 0 HG LEU A 75 0.172 0.765 -5.665 1.00 24.10 H new ATOM 0 HD11 LEU A 75 -0.390 -1.418 -4.677 1.00 52.33 H new ATOM 0 HD12 LEU A 75 -1.323 -0.096 -3.934 1.00 52.33 H new ATOM 0 HD13 LEU A 75 -2.096 -1.174 -5.120 1.00 52.33 H new ATOM 0 HD21 LEU A 75 0.313 -1.277 -7.037 1.00 62.32 H new ATOM 0 HD22 LEU A 75 -1.366 -1.027 -7.573 1.00 62.32 H new ATOM 0 HD23 LEU A 75 -0.106 0.149 -8.017 1.00 62.32 H new ATOM 1084 N HIS A 76 -4.701 0.342 -5.367 1.00 51.42 N ATOM 1085 CA HIS A 76 -5.914 0.556 -4.586 1.00 63.22 C ATOM 1086 C HIS A 76 -5.657 0.302 -3.104 1.00 75.14 C ATOM 1087 O HIS A 76 -5.504 -0.844 -2.677 1.00 13.50 O ATOM 1088 CB HIS A 76 -7.035 -0.355 -5.085 1.00 74.11 C ATOM 1089 CG HIS A 76 -7.997 -0.765 -4.013 1.00 73.35 C ATOM 1090 ND1 HIS A 76 -8.480 0.108 -3.061 1.00 70.31 N ATOM 1091 CD2 HIS A 76 -8.566 -1.964 -3.744 1.00 63.01 C ATOM 1092 CE1 HIS A 76 -9.304 -0.536 -2.253 1.00 2.03 C ATOM 1093 NE2 HIS A 76 -9.373 -1.795 -2.647 1.00 52.00 N ATOM 0 H HIS A 76 -4.190 -0.508 -5.128 1.00 51.42 H new ATOM 0 HA HIS A 76 -6.219 1.595 -4.711 1.00 63.22 H new ATOM 0 HB2 HIS A 76 -7.583 0.157 -5.876 1.00 74.11 H new ATOM 0 HB3 HIS A 76 -6.595 -1.249 -5.528 1.00 74.11 H new ATOM 0 HD2 HIS A 76 -8.413 -2.883 -4.291 1.00 63.01 H new ATOM 0 HE1 HIS A 76 -9.831 -0.106 -1.414 1.00 2.03 H new ATOM 0 HE2 HIS A 76 -9.935 -2.524 -2.207 1.00 52.00 H new ATOM 1100 N LEU A 77 -5.612 1.375 -2.323 1.00 11.21 N ATOM 1101 CA LEU A 77 -5.373 1.268 -0.888 1.00 31.24 C ATOM 1102 C LEU A 77 -6.362 2.128 -0.106 1.00 43.23 C ATOM 1103 O LEU A 77 -6.145 3.324 0.086 1.00 24.43 O ATOM 1104 CB LEU A 77 -3.941 1.690 -0.556 1.00 51.35 C ATOM 1105 CG LEU A 77 -3.430 2.945 -1.264 1.00 65.11 C ATOM 1106 CD1 LEU A 77 -3.127 4.041 -0.254 1.00 62.32 C ATOM 1107 CD2 LEU A 77 -2.193 2.625 -2.092 1.00 13.51 C ATOM 0 H LEU A 77 -5.738 2.330 -2.659 1.00 11.21 H new ATOM 0 HA LEU A 77 -5.515 0.227 -0.598 1.00 31.24 H new ATOM 0 HB2 LEU A 77 -3.871 1.850 0.520 1.00 51.35 H new ATOM 0 HB3 LEU A 77 -3.274 0.863 -0.799 1.00 51.35 H new ATOM 0 HG LEU A 77 -4.210 3.303 -1.936 1.00 65.11 H new ATOM 0 HD11 LEU A 77 -2.764 4.927 -0.776 1.00 62.32 H new ATOM 0 HD12 LEU A 77 -4.035 4.290 0.296 1.00 62.32 H new ATOM 0 HD13 LEU A 77 -2.365 3.693 0.443 1.00 62.32 H new ATOM 0 HD21 LEU A 77 -1.843 3.530 -2.589 1.00 13.51 H new ATOM 0 HD22 LEU A 77 -1.408 2.242 -1.440 1.00 13.51 H new ATOM 0 HD23 LEU A 77 -2.441 1.873 -2.841 1.00 13.51 H new ATOM 1118 N VAL A 78 -7.448 1.508 0.345 1.00 30.44 N ATOM 1119 CA VAL A 78 -8.469 2.215 1.110 1.00 21.23 C ATOM 1120 C VAL A 78 -9.124 1.296 2.135 1.00 65.34 C ATOM 1121 O VAL A 78 -9.490 0.162 1.823 1.00 32.41 O ATOM 1122 CB VAL A 78 -9.558 2.797 0.188 1.00 14.51 C ATOM 1123 CG1 VAL A 78 -10.278 3.949 0.873 1.00 4.10 C ATOM 1124 CG2 VAL A 78 -8.953 3.244 -1.134 1.00 14.15 C ATOM 0 H VAL A 78 -7.644 0.518 0.194 1.00 30.44 H new ATOM 0 HA VAL A 78 -7.967 3.032 1.628 1.00 21.23 H new ATOM 0 HB VAL A 78 -10.290 2.016 -0.020 1.00 14.51 H new ATOM 0 HG11 VAL A 78 -11.043 4.347 0.207 1.00 4.10 H new ATOM 0 HG12 VAL A 78 -10.746 3.592 1.790 1.00 4.10 H new ATOM 0 HG13 VAL A 78 -9.562 4.735 1.113 1.00 4.10 H new ATOM 0 HG21 VAL A 78 -9.736 3.652 -1.773 1.00 14.15 H new ATOM 0 HG22 VAL A 78 -8.200 4.010 -0.949 1.00 14.15 H new ATOM 0 HG23 VAL A 78 -8.489 2.391 -1.629 1.00 14.15 H new ATOM 1134 N LEU A 79 -9.267 1.792 3.359 1.00 44.41 N ATOM 1135 CA LEU A 79 -9.878 1.015 4.432 1.00 11.32 C ATOM 1136 C LEU A 79 -11.183 1.656 4.893 1.00 33.14 C ATOM 1137 O LEU A 79 -11.181 2.735 5.484 1.00 33.41 O ATOM 1138 CB LEU A 79 -8.913 0.892 5.612 1.00 53.24 C ATOM 1139 CG LEU A 79 -9.125 -0.314 6.529 1.00 30.10 C ATOM 1140 CD1 LEU A 79 -9.062 -1.608 5.734 1.00 5.23 C ATOM 1141 CD2 LEU A 79 -8.092 -0.322 7.647 1.00 10.44 C ATOM 0 H LEU A 79 -8.968 2.728 3.633 1.00 44.41 H new ATOM 0 HA LEU A 79 -10.100 0.020 4.046 1.00 11.32 H new ATOM 0 HB2 LEU A 79 -7.896 0.852 5.221 1.00 53.24 H new ATOM 0 HB3 LEU A 79 -8.988 1.798 6.213 1.00 53.24 H new ATOM 0 HG LEU A 79 -10.116 -0.235 6.977 1.00 30.10 H new ATOM 0 HD11 LEU A 79 -9.215 -2.454 6.404 1.00 5.23 H new ATOM 0 HD12 LEU A 79 -9.840 -1.604 4.970 1.00 5.23 H new ATOM 0 HD13 LEU A 79 -8.086 -1.695 5.257 1.00 5.23 H new ATOM 0 HD21 LEU A 79 -8.258 -1.187 8.290 1.00 10.44 H new ATOM 0 HD22 LEU A 79 -7.092 -0.376 7.218 1.00 10.44 H new ATOM 0 HD23 LEU A 79 -8.186 0.591 8.236 1.00 10.44 H new ATOM 1152 N ARG A 80 -12.296 0.983 4.619 1.00 0.32 N ATOM 1153 CA ARG A 80 -13.609 1.485 5.006 1.00 24.21 C ATOM 1154 C ARG A 80 -13.752 2.962 4.648 1.00 12.35 C ATOM 1155 O ARG A 80 -13.802 3.823 5.527 1.00 4.02 O ATOM 1156 CB ARG A 80 -13.831 1.290 6.506 1.00 21.43 C ATOM 1157 CG ARG A 80 -15.257 1.567 6.952 1.00 20.41 C ATOM 1158 CD ARG A 80 -15.302 2.100 8.376 1.00 11.23 C ATOM 1159 NE ARG A 80 -15.109 3.546 8.426 1.00 32.10 N ATOM 1160 CZ ARG A 80 -15.395 4.290 9.489 1.00 71.31 C ATOM 1161 NH1 ARG A 80 -15.882 3.726 10.585 1.00 52.40 N ATOM 1162 NH2 ARG A 80 -15.191 5.600 9.458 1.00 20.35 N ATOM 0 H ARG A 80 -12.314 0.088 4.130 1.00 0.32 H new ATOM 0 HA ARG A 80 -14.363 0.920 4.458 1.00 24.21 H new ATOM 0 HB2 ARG A 80 -13.568 0.267 6.773 1.00 21.43 H new ATOM 0 HB3 ARG A 80 -13.154 1.946 7.053 1.00 21.43 H new ATOM 0 HG2 ARG A 80 -15.717 2.289 6.277 1.00 20.41 H new ATOM 0 HG3 ARG A 80 -15.844 0.651 6.886 1.00 20.41 H new ATOM 0 HD2 ARG A 80 -16.261 1.847 8.828 1.00 11.23 H new ATOM 0 HD3 ARG A 80 -14.531 1.611 8.971 1.00 11.23 H new ATOM 0 HE ARG A 80 -14.734 4.011 7.599 1.00 32.10 H new ATOM 0 HH11 ARG A 80 -16.038 2.718 10.614 1.00 52.40 H new ATOM 0 HH12 ARG A 80 -16.101 4.300 11.400 1.00 52.40 H new ATOM 0 HH21 ARG A 80 -14.814 6.038 8.617 1.00 20.35 H new ATOM 0 HH22 ARG A 80 -15.411 6.170 10.275 1.00 20.35 H new ATOM 1173 N LEU A 81 -13.818 3.248 3.352 1.00 3.41 N ATOM 1174 CA LEU A 81 -13.955 4.620 2.876 1.00 41.04 C ATOM 1175 C LEU A 81 -15.117 5.323 3.570 1.00 15.03 C ATOM 1176 O LEU A 81 -15.915 4.689 4.262 1.00 0.42 O ATOM 1177 CB LEU A 81 -14.165 4.638 1.362 1.00 42.43 C ATOM 1178 CG LEU A 81 -15.549 4.211 0.871 1.00 25.14 C ATOM 1179 CD1 LEU A 81 -16.017 2.966 1.608 1.00 23.32 C ATOM 1180 CD2 LEU A 81 -16.549 5.345 1.046 1.00 2.33 C ATOM 0 H LEU A 81 -13.779 2.547 2.612 1.00 3.41 H new ATOM 0 HA LEU A 81 -13.035 5.154 3.115 1.00 41.04 H new ATOM 0 HB2 LEU A 81 -13.969 5.647 1.000 1.00 42.43 H new ATOM 0 HB3 LEU A 81 -13.422 3.985 0.904 1.00 42.43 H new ATOM 0 HG LEU A 81 -15.480 3.974 -0.191 1.00 25.14 H new ATOM 0 HD11 LEU A 81 -17.003 2.678 1.245 1.00 23.32 H new ATOM 0 HD12 LEU A 81 -15.313 2.153 1.431 1.00 23.32 H new ATOM 0 HD13 LEU A 81 -16.070 3.174 2.677 1.00 23.32 H new ATOM 0 HD21 LEU A 81 -17.529 5.024 0.692 1.00 2.33 H new ATOM 0 HD22 LEU A 81 -16.614 5.613 2.101 1.00 2.33 H new ATOM 0 HD23 LEU A 81 -16.221 6.211 0.471 1.00 2.33 H new