USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 63 ASN : amide:sc= 0.502 K(o=0.68,f=-4.7!) USER MOD Set 1.2: A 87 HIS : no HE2:sc= 0.18 K(o=0.68,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0527) USER MOD Single : A 22 CYS SG : rot 13:sc= 0.36 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00872 USER MOD Single : A 33 HIS : no HE2:sc= 0.0172 K(o=0.017,f=-1.4) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc=-0.00661 K(o=-0.0066,f=-1.9!) USER MOD Single : A 49 SER OG : rot 68:sc= 0.31 USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.128 F(o=-2.6!,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.102) USER MOD Single : A 66 SER OG : rot -108:sc= 0.00357 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : A 72 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.19) USER MOD Single : A 77 CYS SG : rot 58:sc= 0.198 USER MOD Single : A 78 THR OG1 : rot 76:sc= 0.906 USER MOD Single : A 81 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : A 82 THR OG1 : rot -20:sc= 0.35 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -4.318 -5.599 -11.602 1.00 70.24 N ATOM 80 CA ILE A 7 -3.255 -4.797 -11.069 1.00 13.31 C ATOM 81 C ILE A 7 -3.534 -3.424 -11.611 1.00 54.15 C ATOM 82 O ILE A 7 -3.849 -3.268 -12.802 1.00 14.25 O ATOM 83 CB ILE A 7 -1.852 -5.274 -11.552 1.00 30.12 C ATOM 84 CG1 ILE A 7 -1.244 -6.331 -10.631 1.00 74.12 C ATOM 85 CG2 ILE A 7 -0.879 -4.076 -11.714 1.00 70.32 C ATOM 86 CD1 ILE A 7 -2.003 -7.631 -10.537 1.00 44.33 C ATOM 0 HA ILE A 7 -3.227 -4.848 -9.981 1.00 13.31 H new ATOM 0 HB ILE A 7 -2.002 -5.740 -12.526 1.00 30.12 H new ATOM 0 HG12 ILE A 7 -0.232 -6.546 -10.974 1.00 74.12 H new ATOM 0 HG13 ILE A 7 -1.158 -5.908 -9.630 1.00 74.12 H new ATOM 0 HG21 ILE A 7 0.092 -4.439 -12.052 1.00 70.32 H new ATOM 0 HG22 ILE A 7 -1.281 -3.378 -12.448 1.00 70.32 H new ATOM 0 HG23 ILE A 7 -0.763 -3.569 -10.756 1.00 70.32 H new ATOM 0 HD11 ILE A 7 -1.484 -8.307 -9.858 1.00 44.33 H new ATOM 0 HD12 ILE A 7 -3.008 -7.439 -10.160 1.00 44.33 H new ATOM 0 HD13 ILE A 7 -2.067 -8.087 -11.525 1.00 44.33 H new ATOM 98 N PHE A 8 -3.436 -2.404 -10.757 1.00 42.24 N ATOM 99 CA PHE A 8 -3.676 -1.058 -11.188 1.00 72.52 C ATOM 100 C PHE A 8 -2.641 -0.209 -10.539 1.00 40.50 C ATOM 101 O PHE A 8 -2.108 -0.560 -9.485 1.00 34.40 O ATOM 102 CB PHE A 8 -5.110 -0.501 -10.877 1.00 15.40 C ATOM 103 CG PHE A 8 -5.477 -0.718 -9.420 1.00 1.13 C ATOM 104 CD1 PHE A 8 -5.902 -1.992 -8.956 1.00 41.45 C ATOM 105 CD2 PHE A 8 -5.441 0.360 -8.505 1.00 2.11 C ATOM 106 CE1 PHE A 8 -6.258 -2.179 -7.606 1.00 23.24 C ATOM 107 CE2 PHE A 8 -5.806 0.167 -7.154 1.00 43.24 C ATOM 108 CZ PHE A 8 -6.210 -1.102 -6.708 1.00 52.02 C ATOM 0 H PHE A 8 -3.192 -2.500 -9.771 1.00 42.24 H new ATOM 0 HA PHE A 8 -3.617 -1.042 -12.276 1.00 72.52 H new ATOM 0 HB2 PHE A 8 -5.149 0.563 -11.110 1.00 15.40 H new ATOM 0 HB3 PHE A 8 -5.842 -0.994 -11.517 1.00 15.40 H new ATOM 0 HD1 PHE A 8 -5.952 -2.823 -9.644 1.00 41.45 H new ATOM 0 HD2 PHE A 8 -5.132 1.338 -8.842 1.00 2.11 H new ATOM 0 HE1 PHE A 8 -6.569 -3.154 -7.261 1.00 23.24 H new ATOM 0 HE2 PHE A 8 -5.774 0.997 -6.463 1.00 43.24 H new ATOM 0 HZ PHE A 8 -6.484 -1.249 -5.674 1.00 52.02 H new ATOM 118 N GLU A 9 -2.307 0.924 -11.182 1.00 2.02 N ATOM 119 CA GLU A 9 -1.276 1.786 -10.678 1.00 44.24 C ATOM 120 C GLU A 9 -1.985 2.925 -10.046 1.00 74.41 C ATOM 121 O GLU A 9 -2.939 3.461 -10.617 1.00 51.01 O ATOM 122 CB GLU A 9 -0.367 2.416 -11.780 1.00 70.40 C ATOM 123 CG GLU A 9 0.417 1.410 -12.644 1.00 32.20 C ATOM 124 CD GLU A 9 -0.535 0.688 -13.570 1.00 30.13 C ATOM 125 OE1 GLU A 9 -1.281 1.376 -14.322 1.00 61.45 O ATOM 126 OE2 GLU A 9 -0.546 -0.559 -13.558 1.00 43.10 O ATOM 0 H GLU A 9 -2.746 1.244 -12.045 1.00 2.02 H new ATOM 0 HA GLU A 9 -0.638 1.193 -10.023 1.00 44.24 H new ATOM 0 HB2 GLU A 9 -0.989 3.025 -12.436 1.00 70.40 H new ATOM 0 HB3 GLU A 9 0.344 3.089 -11.300 1.00 70.40 H new ATOM 0 HG2 GLU A 9 1.180 1.930 -13.223 1.00 32.20 H new ATOM 0 HG3 GLU A 9 0.934 0.693 -12.006 1.00 32.20 H new ATOM 133 N VAL A 10 -1.525 3.339 -8.881 1.00 50.14 N ATOM 134 CA VAL A 10 -2.047 4.514 -8.262 1.00 62.22 C ATOM 135 C VAL A 10 -0.860 5.338 -7.993 1.00 53.43 C ATOM 136 O VAL A 10 0.120 4.858 -7.448 1.00 42.41 O ATOM 137 CB VAL A 10 -2.773 4.252 -6.935 1.00 32.50 C ATOM 138 CG1 VAL A 10 -3.320 5.591 -6.367 1.00 71.15 C ATOM 139 CG2 VAL A 10 -3.886 3.220 -7.190 1.00 23.33 C ATOM 0 H VAL A 10 -0.789 2.869 -8.353 1.00 50.14 H new ATOM 0 HA VAL A 10 -2.790 4.974 -8.913 1.00 62.22 H new ATOM 0 HB VAL A 10 -2.094 3.844 -6.186 1.00 32.50 H new ATOM 0 HG11 VAL A 10 -3.835 5.403 -5.425 1.00 71.15 H new ATOM 0 HG12 VAL A 10 -2.492 6.279 -6.197 1.00 71.15 H new ATOM 0 HG13 VAL A 10 -4.017 6.031 -7.080 1.00 71.15 H new ATOM 0 HG21 VAL A 10 -4.416 3.019 -6.259 1.00 23.33 H new ATOM 0 HG22 VAL A 10 -4.585 3.614 -7.927 1.00 23.33 H new ATOM 0 HG23 VAL A 10 -3.446 2.296 -7.564 1.00 23.33 H new ATOM 149 N GLU A 11 -0.908 6.600 -8.376 1.00 32.40 N ATOM 150 CA GLU A 11 0.107 7.500 -7.970 1.00 23.44 C ATOM 151 C GLU A 11 -0.553 8.353 -6.960 1.00 63.22 C ATOM 152 O GLU A 11 -1.552 9.019 -7.244 1.00 61.24 O ATOM 153 CB GLU A 11 0.754 8.325 -9.103 1.00 41.33 C ATOM 154 CG GLU A 11 -0.200 9.150 -9.976 1.00 73.35 C ATOM 155 CD GLU A 11 0.625 9.726 -11.101 1.00 21.22 C ATOM 156 OE1 GLU A 11 1.610 10.448 -10.823 1.00 64.24 O ATOM 157 OE2 GLU A 11 0.320 9.437 -12.273 1.00 2.22 O ATOM 0 H GLU A 11 -1.639 7.004 -8.962 1.00 32.40 H new ATOM 0 HA GLU A 11 0.965 6.951 -7.581 1.00 23.44 H new ATOM 0 HB2 GLU A 11 1.483 9.003 -8.659 1.00 41.33 H new ATOM 0 HB3 GLU A 11 1.306 7.643 -9.750 1.00 41.33 H new ATOM 0 HG2 GLU A 11 -1.004 8.526 -10.367 1.00 73.35 H new ATOM 0 HG3 GLU A 11 -0.667 9.944 -9.394 1.00 73.35 H new ATOM 164 N LEU A 12 -0.079 8.250 -5.722 1.00 31.33 N ATOM 165 CA LEU A 12 -0.764 8.810 -4.614 1.00 61.11 C ATOM 166 C LEU A 12 -0.034 10.046 -4.299 1.00 3.42 C ATOM 167 O LEU A 12 1.179 10.010 -4.075 1.00 62.12 O ATOM 168 CB LEU A 12 -0.687 7.872 -3.371 1.00 40.32 C ATOM 169 CG LEU A 12 -1.870 7.983 -2.389 1.00 64.40 C ATOM 170 CD1 LEU A 12 -1.934 9.315 -1.628 1.00 51.34 C ATOM 171 CD2 LEU A 12 -3.196 7.625 -3.064 1.00 10.15 C ATOM 0 H LEU A 12 0.790 7.773 -5.483 1.00 31.33 H new ATOM 0 HA LEU A 12 -1.816 8.969 -4.849 1.00 61.11 H new ATOM 0 HB2 LEU A 12 -0.619 6.841 -3.718 1.00 40.32 H new ATOM 0 HB3 LEU A 12 0.235 8.087 -2.830 1.00 40.32 H new ATOM 0 HG LEU A 12 -1.683 7.238 -1.616 1.00 64.40 H new ATOM 0 HD11 LEU A 12 -2.795 9.311 -0.959 1.00 51.34 H new ATOM 0 HD12 LEU A 12 -1.022 9.445 -1.045 1.00 51.34 H new ATOM 0 HD13 LEU A 12 -2.031 10.136 -2.339 1.00 51.34 H new ATOM 0 HD21 LEU A 12 -4.008 7.714 -2.342 1.00 10.15 H new ATOM 0 HD22 LEU A 12 -3.375 8.305 -3.897 1.00 10.15 H new ATOM 0 HD23 LEU A 12 -3.151 6.601 -3.434 1.00 10.15 H new ATOM 183 N ALA A 13 -0.738 11.178 -4.313 1.00 42.25 N ATOM 184 CA ALA A 13 -0.107 12.430 -4.056 1.00 2.42 C ATOM 185 C ALA A 13 -0.392 12.748 -2.638 1.00 25.30 C ATOM 186 O ALA A 13 -1.449 12.415 -2.115 1.00 5.24 O ATOM 187 CB ALA A 13 -0.647 13.588 -4.914 1.00 32.24 C ATOM 0 H ALA A 13 -1.739 11.233 -4.501 1.00 42.25 H new ATOM 0 HA ALA A 13 0.953 12.335 -4.292 1.00 2.42 H new ATOM 0 HB1 ALA A 13 -0.117 14.506 -4.660 1.00 32.24 H new ATOM 0 HB2 ALA A 13 -0.495 13.361 -5.969 1.00 32.24 H new ATOM 0 HB3 ALA A 13 -1.712 13.718 -4.721 1.00 32.24 H new ATOM 193 N LYS A 14 0.550 13.406 -1.988 1.00 3.21 N ATOM 194 CA LYS A 14 0.397 13.826 -0.615 1.00 34.24 C ATOM 195 C LYS A 14 0.081 15.292 -0.645 1.00 51.30 C ATOM 196 O LYS A 14 0.526 16.060 0.212 1.00 45.04 O ATOM 197 CB LYS A 14 1.643 13.579 0.249 1.00 43.11 C ATOM 198 CG LYS A 14 2.073 12.100 0.267 1.00 14.02 C ATOM 199 CD LYS A 14 0.991 11.128 0.756 1.00 11.21 C ATOM 200 CE LYS A 14 1.514 9.679 0.867 1.00 73.25 C ATOM 201 NZ LYS A 14 0.480 8.769 1.431 1.00 75.10 N ATOM 0 H LYS A 14 1.445 13.663 -2.403 1.00 3.21 H new ATOM 0 HA LYS A 14 -0.396 13.236 -0.156 1.00 34.24 H new ATOM 0 HB2 LYS A 14 2.466 14.187 -0.126 1.00 43.11 H new ATOM 0 HB3 LYS A 14 1.443 13.907 1.269 1.00 43.11 H new ATOM 0 HG2 LYS A 14 2.375 11.811 -0.739 1.00 14.02 H new ATOM 0 HG3 LYS A 14 2.951 11.998 0.905 1.00 14.02 H new ATOM 0 HD2 LYS A 14 0.624 11.455 1.729 1.00 11.21 H new ATOM 0 HD3 LYS A 14 0.144 11.155 0.070 1.00 11.21 H new ATOM 0 HE2 LYS A 14 1.815 9.323 -0.118 1.00 73.25 H new ATOM 0 HE3 LYS A 14 2.402 9.659 1.499 1.00 73.25 H new ATOM 0 HZ1 LYS A 14 0.940 7.929 1.836 1.00 75.10 H new ATOM 0 HZ2 LYS A 14 -0.051 9.266 2.175 1.00 75.10 H new ATOM 0 HZ3 LYS A 14 -0.173 8.476 0.677 1.00 75.10 H new ATOM 285 N GLY A 20 -0.177 9.371 6.222 1.00 22.42 N ATOM 286 CA GLY A 20 -1.269 8.640 6.868 1.00 63.31 C ATOM 287 C GLY A 20 -1.573 7.291 6.238 1.00 51.42 C ATOM 288 O GLY A 20 -2.747 6.979 6.001 1.00 3.44 O ATOM 0 HA2 GLY A 20 -1.020 8.490 7.918 1.00 63.31 H new ATOM 0 HA3 GLY A 20 -2.169 9.253 6.839 1.00 63.31 H new ATOM 292 N ILE A 21 -0.550 6.444 5.999 1.00 41.24 N ATOM 293 CA ILE A 21 -0.810 5.071 5.590 1.00 72.51 C ATOM 294 C ILE A 21 0.161 4.255 6.405 1.00 10.23 C ATOM 295 O ILE A 21 1.222 4.758 6.775 1.00 13.24 O ATOM 296 CB ILE A 21 -0.551 4.795 4.077 1.00 24.22 C ATOM 297 CG1 ILE A 21 -1.264 5.847 3.198 1.00 54.14 C ATOM 298 CG2 ILE A 21 -0.990 3.346 3.718 1.00 14.02 C ATOM 299 CD1 ILE A 21 -1.084 5.618 1.687 1.00 64.12 C ATOM 0 H ILE A 21 0.437 6.689 6.083 1.00 41.24 H new ATOM 0 HA ILE A 21 -1.862 4.832 5.748 1.00 72.51 H new ATOM 0 HB ILE A 21 0.517 4.881 3.877 1.00 24.22 H new ATOM 0 HG12 ILE A 21 -2.328 5.842 3.433 1.00 54.14 H new ATOM 0 HG13 ILE A 21 -0.886 6.837 3.454 1.00 54.14 H new ATOM 0 HG21 ILE A 21 -0.806 3.162 2.660 1.00 14.02 H new ATOM 0 HG22 ILE A 21 -0.419 2.635 4.315 1.00 14.02 H new ATOM 0 HG23 ILE A 21 -2.053 3.225 3.928 1.00 14.02 H new ATOM 0 HD11 ILE A 21 -1.613 6.396 1.136 1.00 64.12 H new ATOM 0 HD12 ILE A 21 -0.024 5.653 1.437 1.00 64.12 H new ATOM 0 HD13 ILE A 21 -1.488 4.643 1.416 1.00 64.12 H new ATOM 311 N CYS A 22 -0.162 2.980 6.656 1.00 1.04 N ATOM 312 CA CYS A 22 0.800 2.057 7.217 1.00 45.33 C ATOM 313 C CYS A 22 0.383 0.753 6.660 1.00 12.32 C ATOM 314 O CYS A 22 -0.671 0.655 6.022 1.00 34.54 O ATOM 315 CB CYS A 22 0.729 1.918 8.761 1.00 53.23 C ATOM 316 SG CYS A 22 1.392 3.368 9.625 1.00 2.11 S ATOM 0 H CYS A 22 -1.081 2.577 6.476 1.00 1.04 H new ATOM 0 HA CYS A 22 1.809 2.396 6.983 1.00 45.33 H new ATOM 0 HB2 CYS A 22 -0.308 1.764 9.061 1.00 53.23 H new ATOM 0 HB3 CYS A 22 1.284 1.032 9.068 1.00 53.23 H new ATOM 0 HG CYS A 22 1.550 4.342 8.779 1.00 2.11 H new ATOM 321 N VAL A 23 1.254 -0.252 6.766 1.00 11.32 N ATOM 322 CA VAL A 23 1.106 -1.432 5.985 1.00 2.13 C ATOM 323 C VAL A 23 1.560 -2.583 6.847 1.00 10.13 C ATOM 324 O VAL A 23 2.106 -2.388 7.935 1.00 63.13 O ATOM 325 CB VAL A 23 1.944 -1.392 4.707 1.00 62.12 C ATOM 326 CG1 VAL A 23 1.149 -0.647 3.612 1.00 72.21 C ATOM 327 CG2 VAL A 23 3.292 -0.716 5.013 1.00 50.03 C ATOM 0 H VAL A 23 2.061 -0.251 7.390 1.00 11.32 H new ATOM 0 HA VAL A 23 0.066 -1.533 5.675 1.00 2.13 H new ATOM 0 HB VAL A 23 2.154 -2.397 4.341 1.00 62.12 H new ATOM 0 HG11 VAL A 23 1.737 -0.612 2.695 1.00 72.21 H new ATOM 0 HG12 VAL A 23 0.212 -1.171 3.422 1.00 72.21 H new ATOM 0 HG13 VAL A 23 0.936 0.369 3.945 1.00 72.21 H new ATOM 0 HG21 VAL A 23 3.897 -0.683 4.107 1.00 50.03 H new ATOM 0 HG22 VAL A 23 3.117 0.299 5.370 1.00 50.03 H new ATOM 0 HG23 VAL A 23 3.818 -1.284 5.780 1.00 50.03 H new ATOM 337 N THR A 24 1.270 -3.791 6.376 1.00 52.55 N ATOM 338 CA THR A 24 1.533 -5.006 7.074 1.00 73.31 C ATOM 339 C THR A 24 1.807 -5.984 5.946 1.00 44.21 C ATOM 340 O THR A 24 1.565 -5.650 4.802 1.00 1.13 O ATOM 341 CB THR A 24 0.335 -5.471 7.944 1.00 23.21 C ATOM 342 OG1 THR A 24 0.649 -6.633 8.719 1.00 12.24 O ATOM 343 CG2 THR A 24 -0.903 -5.739 7.056 1.00 12.11 C ATOM 0 H THR A 24 0.831 -3.937 5.467 1.00 52.55 H new ATOM 0 HA THR A 24 2.354 -4.909 7.785 1.00 73.31 H new ATOM 0 HB THR A 24 0.110 -4.665 8.642 1.00 23.21 H new ATOM 0 HG1 THR A 24 -0.131 -6.891 9.253 1.00 12.24 H new ATOM 0 HG21 THR A 24 -1.735 -6.064 7.680 1.00 12.11 H new ATOM 0 HG22 THR A 24 -1.179 -4.824 6.531 1.00 12.11 H new ATOM 0 HG23 THR A 24 -0.668 -6.517 6.330 1.00 12.11 H new ATOM 351 N GLY A 25 2.347 -7.176 6.241 1.00 3.31 N ATOM 352 CA GLY A 25 2.617 -8.147 5.187 1.00 31.12 C ATOM 353 C GLY A 25 4.067 -8.412 5.187 1.00 31.12 C ATOM 354 O GLY A 25 4.782 -7.947 6.060 1.00 33.35 O ATOM 0 H GLY A 25 2.598 -7.480 7.182 1.00 3.31 H new ATOM 0 HA2 GLY A 25 2.059 -9.067 5.362 1.00 31.12 H new ATOM 0 HA3 GLY A 25 2.298 -7.760 4.219 1.00 31.12 H new ATOM 358 N GLY A 26 4.553 -9.158 4.171 1.00 53.15 N ATOM 359 CA GLY A 26 5.969 -9.310 4.008 1.00 71.23 C ATOM 360 C GLY A 26 6.335 -10.756 4.028 1.00 1.21 C ATOM 361 O GLY A 26 5.897 -11.539 3.189 1.00 33.34 O ATOM 0 H GLY A 26 3.981 -9.644 3.480 1.00 53.15 H new ATOM 0 HA2 GLY A 26 6.285 -8.860 3.067 1.00 71.23 H new ATOM 0 HA3 GLY A 26 6.493 -8.783 4.805 1.00 71.23 H new ATOM 365 N VAL A 27 7.204 -11.119 4.996 1.00 54.10 N ATOM 366 CA VAL A 27 7.952 -12.377 5.060 1.00 0.44 C ATOM 367 C VAL A 27 7.079 -13.607 5.330 1.00 42.43 C ATOM 368 O VAL A 27 7.603 -14.612 5.803 1.00 71.23 O ATOM 369 CB VAL A 27 9.095 -12.327 6.067 1.00 74.30 C ATOM 370 CG1 VAL A 27 10.099 -11.261 5.584 1.00 12.33 C ATOM 371 CG2 VAL A 27 8.530 -12.025 7.475 1.00 43.40 C ATOM 0 H VAL A 27 7.407 -10.509 5.788 1.00 54.10 H new ATOM 0 HA VAL A 27 8.369 -12.489 4.059 1.00 0.44 H new ATOM 0 HB VAL A 27 9.614 -13.283 6.138 1.00 74.30 H new ATOM 0 HG11 VAL A 27 10.931 -11.201 6.285 1.00 12.33 H new ATOM 0 HG12 VAL A 27 10.474 -11.535 4.598 1.00 12.33 H new ATOM 0 HG13 VAL A 27 9.602 -10.293 5.527 1.00 12.33 H new ATOM 0 HG21 VAL A 27 9.347 -11.989 8.195 1.00 43.40 H new ATOM 0 HG22 VAL A 27 8.015 -11.064 7.462 1.00 43.40 H new ATOM 0 HG23 VAL A 27 7.828 -12.808 7.761 1.00 43.40 H new ATOM 381 N ASN A 28 5.752 -13.532 5.088 1.00 64.22 N ATOM 382 CA ASN A 28 4.802 -14.604 5.470 1.00 74.32 C ATOM 383 C ASN A 28 4.348 -14.339 6.872 1.00 15.14 C ATOM 384 O ASN A 28 4.631 -15.066 7.820 1.00 71.41 O ATOM 385 CB ASN A 28 5.265 -16.098 5.292 1.00 2.43 C ATOM 386 CG ASN A 28 4.077 -17.050 5.491 1.00 0.14 C ATOM 387 OD1 ASN A 28 3.838 -17.540 6.595 1.00 11.20 O ATOM 388 ND2 ASN A 28 3.313 -17.333 4.412 1.00 4.52 N ATOM 0 H ASN A 28 5.311 -12.736 4.627 1.00 64.22 H new ATOM 0 HA ASN A 28 3.991 -14.541 4.744 1.00 74.32 H new ATOM 0 HB2 ASN A 28 5.690 -16.238 4.298 1.00 2.43 H new ATOM 0 HB3 ASN A 28 6.051 -16.331 6.011 1.00 2.43 H new ATOM 0 HD21 ASN A 28 2.518 -17.965 4.502 1.00 4.52 H new ATOM 0 HD22 ASN A 28 3.532 -16.914 3.508 1.00 4.52 H new ATOM 395 N THR A 29 3.611 -13.238 6.975 1.00 73.45 N ATOM 396 CA THR A 29 2.864 -12.893 8.151 1.00 45.01 C ATOM 397 C THR A 29 1.529 -13.620 7.941 1.00 53.02 C ATOM 398 O THR A 29 1.460 -14.542 7.121 1.00 2.35 O ATOM 399 CB THR A 29 2.681 -11.381 8.379 1.00 20.52 C ATOM 400 OG1 THR A 29 2.099 -11.103 9.660 1.00 40.12 O ATOM 401 CG2 THR A 29 1.822 -10.778 7.261 1.00 53.33 C ATOM 0 H THR A 29 3.523 -12.556 6.222 1.00 73.45 H new ATOM 0 HA THR A 29 3.389 -13.193 9.058 1.00 45.01 H new ATOM 0 HB THR A 29 3.669 -10.921 8.360 1.00 20.52 H new ATOM 0 HG1 THR A 29 1.999 -10.134 9.771 1.00 40.12 H new ATOM 0 HG21 THR A 29 1.699 -9.709 7.433 1.00 53.33 H new ATOM 0 HG22 THR A 29 2.311 -10.937 6.300 1.00 53.33 H new ATOM 0 HG23 THR A 29 0.844 -11.259 7.254 1.00 53.33 H new ATOM 409 N SER A 30 0.483 -13.275 8.713 1.00 22.31 N ATOM 410 CA SER A 30 -0.841 -13.910 8.632 1.00 3.04 C ATOM 411 C SER A 30 -1.322 -14.097 7.177 1.00 61.23 C ATOM 412 O SER A 30 -2.074 -15.036 6.893 1.00 0.31 O ATOM 413 CB SER A 30 -1.909 -13.078 9.373 1.00 12.32 C ATOM 414 OG SER A 30 -1.429 -12.739 10.673 1.00 24.03 O ATOM 0 H SER A 30 0.536 -12.539 9.418 1.00 22.31 H new ATOM 0 HA SER A 30 -0.722 -14.887 9.100 1.00 3.04 H new ATOM 0 HB2 SER A 30 -2.136 -12.173 8.810 1.00 12.32 H new ATOM 0 HB3 SER A 30 -2.837 -13.645 9.452 1.00 12.32 H new ATOM 0 HG SER A 30 -2.106 -12.209 11.144 1.00 24.03 H new ATOM 420 N VAL A 31 -0.897 -13.225 6.224 1.00 2.12 N ATOM 421 CA VAL A 31 -1.334 -13.364 4.856 1.00 12.53 C ATOM 422 C VAL A 31 -0.354 -14.307 4.154 1.00 54.21 C ATOM 423 O VAL A 31 0.870 -14.100 4.167 1.00 23.44 O ATOM 424 CB VAL A 31 -1.432 -12.033 4.112 1.00 12.32 C ATOM 425 CG1 VAL A 31 -2.657 -11.278 4.676 1.00 51.14 C ATOM 426 CG2 VAL A 31 -0.113 -11.231 4.273 1.00 75.44 C ATOM 0 H VAL A 31 -0.266 -12.442 6.397 1.00 2.12 H new ATOM 0 HA VAL A 31 -2.346 -13.768 4.853 1.00 12.53 H new ATOM 0 HB VAL A 31 -1.568 -12.183 3.041 1.00 12.32 H new ATOM 0 HG11 VAL A 31 -2.760 -10.319 4.167 1.00 51.14 H new ATOM 0 HG12 VAL A 31 -3.556 -11.872 4.515 1.00 51.14 H new ATOM 0 HG13 VAL A 31 -2.520 -11.109 5.744 1.00 51.14 H new ATOM 0 HG21 VAL A 31 -0.195 -10.285 3.738 1.00 75.44 H new ATOM 0 HG22 VAL A 31 0.068 -11.036 5.330 1.00 75.44 H new ATOM 0 HG23 VAL A 31 0.716 -11.808 3.864 1.00 75.44 H new ATOM 436 N ARG A 32 -0.896 -15.397 3.565 1.00 32.22 N ATOM 437 CA ARG A 32 -0.070 -16.444 2.973 1.00 0.22 C ATOM 438 C ARG A 32 0.547 -15.946 1.686 1.00 55.21 C ATOM 439 O ARG A 32 1.590 -16.436 1.264 1.00 22.33 O ATOM 440 CB ARG A 32 -0.844 -17.745 2.674 1.00 1.33 C ATOM 441 CG ARG A 32 -1.507 -18.347 3.927 1.00 30.34 C ATOM 442 CD ARG A 32 -2.079 -19.759 3.708 1.00 0.23 C ATOM 443 NE ARG A 32 -0.934 -20.677 3.332 1.00 41.52 N ATOM 444 CZ ARG A 32 -0.148 -21.311 4.285 1.00 44.22 C ATOM 445 NH1 ARG A 32 -0.391 -21.131 5.618 1.00 13.53 N ATOM 446 NH2 ARG A 32 0.878 -22.119 3.884 1.00 13.25 N ATOM 0 H ARG A 32 -1.900 -15.563 3.493 1.00 32.22 H new ATOM 0 HA ARG A 32 0.694 -16.680 3.714 1.00 0.22 H new ATOM 0 HB2 ARG A 32 -1.610 -17.543 1.925 1.00 1.33 H new ATOM 0 HB3 ARG A 32 -0.162 -18.477 2.242 1.00 1.33 H new ATOM 0 HG2 ARG A 32 -0.774 -18.383 4.733 1.00 30.34 H new ATOM 0 HG3 ARG A 32 -2.310 -17.687 4.255 1.00 30.34 H new ATOM 0 HD2 ARG A 32 -2.571 -20.115 4.613 1.00 0.23 H new ATOM 0 HD3 ARG A 32 -2.832 -19.747 2.920 1.00 0.23 H new ATOM 0 HE ARG A 32 -0.734 -20.835 2.344 1.00 41.52 H new ATOM 0 HH11 ARG A 32 -1.155 -20.527 5.920 1.00 13.53 H new ATOM 0 HH12 ARG A 32 0.192 -21.601 6.311 1.00 13.53 H new ATOM 0 HH21 ARG A 32 1.063 -22.253 2.890 1.00 13.25 H new ATOM 0 HH22 ARG A 32 1.459 -22.588 4.579 1.00 13.25 H new ATOM 460 N HIS A 33 -0.082 -14.931 1.048 1.00 62.50 N ATOM 461 CA HIS A 33 0.432 -14.348 -0.204 1.00 13.34 C ATOM 462 C HIS A 33 1.715 -13.607 0.111 1.00 44.24 C ATOM 463 O HIS A 33 2.488 -13.279 -0.771 1.00 45.33 O ATOM 464 CB HIS A 33 -0.570 -13.308 -0.804 1.00 50.32 C ATOM 465 CG HIS A 33 -0.328 -12.910 -2.253 1.00 71.11 C ATOM 466 ND1 HIS A 33 0.764 -12.186 -2.675 1.00 15.45 N ATOM 467 CD2 HIS A 33 -1.109 -13.106 -3.336 1.00 24.20 C ATOM 468 CE1 HIS A 33 0.636 -11.959 -3.975 1.00 11.43 C ATOM 469 NE2 HIS A 33 -0.497 -12.504 -4.393 1.00 23.33 N ATOM 0 H HIS A 33 -0.945 -14.503 1.383 1.00 62.50 H new ATOM 0 HA HIS A 33 0.584 -15.155 -0.921 1.00 13.34 H new ATOM 0 HB2 HIS A 33 -1.578 -13.715 -0.723 1.00 50.32 H new ATOM 0 HB3 HIS A 33 -0.540 -12.408 -0.190 1.00 50.32 H new ATOM 0 HD1 HIS A 33 1.539 -11.877 -2.088 1.00 15.45 H new ATOM 0 HD2 HIS A 33 -2.047 -13.642 -3.360 1.00 24.20 H new ATOM 0 HE1 HIS A 33 1.339 -11.419 -4.592 1.00 11.43 H new ATOM 478 N GLY A 34 1.947 -13.307 1.413 1.00 52.42 N ATOM 479 CA GLY A 34 3.096 -12.496 1.841 1.00 11.31 C ATOM 480 C GLY A 34 2.989 -11.093 1.287 1.00 74.22 C ATOM 481 O GLY A 34 3.920 -10.311 1.387 1.00 33.21 O ATOM 0 H GLY A 34 1.349 -13.618 2.179 1.00 52.42 H new ATOM 0 HA2 GLY A 34 3.139 -12.461 2.930 1.00 11.31 H new ATOM 0 HA3 GLY A 34 4.022 -12.958 1.500 1.00 11.31 H new ATOM 485 N GLY A 35 1.842 -10.760 0.663 1.00 53.22 N ATOM 486 CA GLY A 35 1.668 -9.465 0.041 1.00 30.32 C ATOM 487 C GLY A 35 1.624 -8.441 1.108 1.00 13.55 C ATOM 488 O GLY A 35 1.397 -8.760 2.278 1.00 24.21 O ATOM 0 H GLY A 35 1.034 -11.378 0.585 1.00 53.22 H new ATOM 0 HA2 GLY A 35 2.488 -9.261 -0.648 1.00 30.32 H new ATOM 0 HA3 GLY A 35 0.748 -9.445 -0.543 1.00 30.32 H new ATOM 492 N ILE A 36 1.840 -7.183 0.725 1.00 42.35 N ATOM 493 CA ILE A 36 1.798 -6.109 1.653 1.00 62.14 C ATOM 494 C ILE A 36 0.368 -5.657 1.629 1.00 72.42 C ATOM 495 O ILE A 36 -0.207 -5.545 0.573 1.00 41.34 O ATOM 496 CB ILE A 36 2.709 -4.951 1.236 1.00 51.52 C ATOM 497 CG1 ILE A 36 4.153 -5.452 0.953 1.00 71.21 C ATOM 498 CG2 ILE A 36 2.658 -3.843 2.298 1.00 42.13 C ATOM 499 CD1 ILE A 36 4.833 -6.120 2.155 1.00 33.43 C ATOM 0 H ILE A 36 2.046 -6.905 -0.235 1.00 42.35 H new ATOM 0 HA ILE A 36 2.142 -6.424 2.638 1.00 62.14 H new ATOM 0 HB ILE A 36 2.349 -4.524 0.300 1.00 51.52 H new ATOM 0 HG12 ILE A 36 4.124 -6.161 0.126 1.00 71.21 H new ATOM 0 HG13 ILE A 36 4.761 -4.608 0.628 1.00 71.21 H new ATOM 0 HG21 ILE A 36 3.308 -3.021 1.998 1.00 42.13 H new ATOM 0 HG22 ILE A 36 1.635 -3.480 2.396 1.00 42.13 H new ATOM 0 HG23 ILE A 36 2.995 -4.241 3.255 1.00 42.13 H new ATOM 0 HD11 ILE A 36 5.836 -6.441 1.874 1.00 33.43 H new ATOM 0 HD12 ILE A 36 4.897 -5.409 2.978 1.00 33.43 H new ATOM 0 HD13 ILE A 36 4.250 -6.986 2.468 1.00 33.43 H new ATOM 511 N TYR A 37 -0.248 -5.448 2.786 1.00 73.10 N ATOM 512 CA TYR A 37 -1.627 -5.033 2.814 1.00 32.15 C ATOM 513 C TYR A 37 -1.640 -3.789 3.612 1.00 41.15 C ATOM 514 O TYR A 37 -0.852 -3.628 4.536 1.00 63.14 O ATOM 515 CB TYR A 37 -2.618 -6.038 3.497 1.00 72.22 C ATOM 516 CG TYR A 37 -2.750 -7.287 2.641 1.00 40.25 C ATOM 517 CD1 TYR A 37 -1.676 -8.192 2.522 1.00 14.02 C ATOM 518 CD2 TYR A 37 -3.969 -7.591 1.969 1.00 22.20 C ATOM 519 CE1 TYR A 37 -1.790 -9.350 1.735 1.00 25.40 C ATOM 520 CE2 TYR A 37 -4.092 -8.777 1.201 1.00 21.33 C ATOM 521 CZ TYR A 37 -2.991 -9.652 1.086 1.00 30.51 C ATOM 522 OH TYR A 37 -3.084 -10.840 0.328 1.00 23.24 O ATOM 0 H TYR A 37 0.187 -5.560 3.702 1.00 73.10 H new ATOM 0 HA TYR A 37 -1.968 -4.939 1.783 1.00 32.15 H new ATOM 0 HB2 TYR A 37 -2.256 -6.303 4.490 1.00 72.22 H new ATOM 0 HB3 TYR A 37 -3.594 -5.570 3.628 1.00 72.22 H new ATOM 0 HD1 TYR A 37 -0.752 -7.992 3.044 1.00 14.02 H new ATOM 0 HD2 TYR A 37 -4.806 -6.913 2.045 1.00 22.20 H new ATOM 0 HE1 TYR A 37 -0.943 -10.012 1.630 1.00 25.40 H new ATOM 0 HE2 TYR A 37 -5.024 -9.009 0.707 1.00 21.33 H new ATOM 0 HH TYR A 37 -3.981 -10.910 -0.061 1.00 23.24 H new ATOM 532 N VAL A 38 -2.518 -2.852 3.246 1.00 65.14 N ATOM 533 CA VAL A 38 -2.700 -1.640 3.996 1.00 50.42 C ATOM 534 C VAL A 38 -3.237 -2.021 5.365 1.00 44.44 C ATOM 535 O VAL A 38 -4.115 -2.883 5.495 1.00 20.44 O ATOM 536 CB VAL A 38 -3.633 -0.665 3.305 1.00 0.13 C ATOM 537 CG1 VAL A 38 -3.773 0.609 4.143 1.00 10.13 C ATOM 538 CG2 VAL A 38 -3.060 -0.378 1.897 1.00 74.32 C ATOM 0 H VAL A 38 -3.114 -2.926 2.421 1.00 65.14 H new ATOM 0 HA VAL A 38 -1.742 -1.127 4.083 1.00 50.42 H new ATOM 0 HB VAL A 38 -4.634 -1.084 3.201 1.00 0.13 H new ATOM 0 HG11 VAL A 38 -4.445 1.304 3.639 1.00 10.13 H new ATOM 0 HG12 VAL A 38 -4.179 0.357 5.123 1.00 10.13 H new ATOM 0 HG13 VAL A 38 -2.795 1.074 4.264 1.00 10.13 H new ATOM 0 HG21 VAL A 38 -3.712 0.322 1.375 1.00 74.32 H new ATOM 0 HG22 VAL A 38 -2.064 0.054 1.991 1.00 74.32 H new ATOM 0 HG23 VAL A 38 -3.000 -1.308 1.332 1.00 74.32 H new ATOM 548 N LYS A 39 -2.646 -1.411 6.407 1.00 12.02 N ATOM 549 CA LYS A 39 -2.865 -1.816 7.768 1.00 54.22 C ATOM 550 C LYS A 39 -3.730 -0.781 8.380 1.00 31.11 C ATOM 551 O LYS A 39 -4.721 -1.087 9.022 1.00 2.14 O ATOM 552 CB LYS A 39 -1.532 -1.836 8.568 1.00 71.51 C ATOM 553 CG LYS A 39 -1.653 -2.264 10.032 1.00 71.41 C ATOM 554 CD LYS A 39 -0.315 -2.154 10.783 1.00 33.41 C ATOM 555 CE LYS A 39 -0.420 -2.419 12.294 1.00 5.21 C ATOM 556 NZ LYS A 39 -0.866 -3.801 12.568 1.00 12.10 N ATOM 0 H LYS A 39 -2.005 -0.624 6.308 1.00 12.02 H new ATOM 0 HA LYS A 39 -3.304 -2.814 7.788 1.00 54.22 H new ATOM 0 HB2 LYS A 39 -0.837 -2.509 8.066 1.00 71.51 H new ATOM 0 HB3 LYS A 39 -1.092 -0.839 8.533 1.00 71.51 H new ATOM 0 HG2 LYS A 39 -2.399 -1.644 10.529 1.00 71.41 H new ATOM 0 HG3 LYS A 39 -2.011 -3.293 10.080 1.00 71.41 H new ATOM 0 HD2 LYS A 39 0.392 -2.861 10.349 1.00 33.41 H new ATOM 0 HD3 LYS A 39 0.096 -1.156 10.628 1.00 33.41 H new ATOM 0 HE2 LYS A 39 0.549 -2.248 12.763 1.00 5.21 H new ATOM 0 HE3 LYS A 39 -1.120 -1.713 12.741 1.00 5.21 H new ATOM 0 HZ1 LYS A 39 -0.927 -3.949 13.596 1.00 12.10 H new ATOM 0 HZ2 LYS A 39 -1.801 -3.955 12.140 1.00 12.10 H new ATOM 0 HZ3 LYS A 39 -0.184 -4.473 12.162 1.00 12.10 H new ATOM 570 N ALA A 40 -3.347 0.487 8.206 1.00 14.31 N ATOM 571 CA ALA A 40 -4.055 1.549 8.845 1.00 2.44 C ATOM 572 C ALA A 40 -4.107 2.640 7.872 1.00 1.41 C ATOM 573 O ALA A 40 -3.135 2.886 7.152 1.00 22.35 O ATOM 574 CB ALA A 40 -3.357 2.097 10.108 1.00 34.11 C ATOM 0 H ALA A 40 -2.557 0.780 7.631 1.00 14.31 H new ATOM 0 HA ALA A 40 -5.027 1.169 9.159 1.00 2.44 H new ATOM 0 HB1 ALA A 40 -3.957 2.901 10.535 1.00 34.11 H new ATOM 0 HB2 ALA A 40 -3.248 1.297 10.840 1.00 34.11 H new ATOM 0 HB3 ALA A 40 -2.372 2.481 9.842 1.00 34.11 H new ATOM 580 N VAL A 41 -5.247 3.317 7.828 1.00 53.43 N ATOM 581 CA VAL A 41 -5.398 4.490 7.043 1.00 5.02 C ATOM 582 C VAL A 41 -5.951 5.490 8.008 1.00 42.33 C ATOM 583 O VAL A 41 -6.902 5.186 8.741 1.00 73.22 O ATOM 584 CB VAL A 41 -6.398 4.321 5.895 1.00 35.13 C ATOM 585 CG1 VAL A 41 -6.431 5.615 5.056 1.00 63.23 C ATOM 586 CG2 VAL A 41 -5.982 3.091 5.068 1.00 63.40 C ATOM 0 H VAL A 41 -6.084 3.050 8.346 1.00 53.43 H new ATOM 0 HA VAL A 41 -4.451 4.767 6.579 1.00 5.02 H new ATOM 0 HB VAL A 41 -7.409 4.153 6.267 1.00 35.13 H new ATOM 0 HG11 VAL A 41 -7.141 5.500 4.237 1.00 63.23 H new ATOM 0 HG12 VAL A 41 -6.736 6.450 5.687 1.00 63.23 H new ATOM 0 HG13 VAL A 41 -5.439 5.811 4.650 1.00 63.23 H new ATOM 0 HG21 VAL A 41 -6.682 2.953 4.244 1.00 63.40 H new ATOM 0 HG22 VAL A 41 -4.979 3.243 4.670 1.00 63.40 H new ATOM 0 HG23 VAL A 41 -5.990 2.206 5.704 1.00 63.40 H new ATOM 596 N ILE A 42 -5.356 6.707 8.057 1.00 32.01 N ATOM 597 CA ILE A 42 -5.887 7.758 8.932 1.00 2.12 C ATOM 598 C ILE A 42 -7.264 8.082 8.389 1.00 73.00 C ATOM 599 O ILE A 42 -7.463 8.095 7.173 1.00 31.30 O ATOM 600 CB ILE A 42 -5.049 9.076 8.945 1.00 12.33 C ATOM 601 CG1 ILE A 42 -3.570 8.800 9.007 1.00 20.14 C ATOM 602 CG2 ILE A 42 -5.506 9.984 10.098 1.00 12.43 C ATOM 603 CD1 ILE A 42 -3.148 7.987 10.179 1.00 72.15 C ATOM 0 H ILE A 42 -4.533 6.972 7.515 1.00 32.01 H new ATOM 0 HA ILE A 42 -5.876 7.388 9.957 1.00 2.12 H new ATOM 0 HB ILE A 42 -5.227 9.600 8.006 1.00 12.33 H new ATOM 0 HG12 ILE A 42 -3.270 8.284 8.095 1.00 20.14 H new ATOM 0 HG13 ILE A 42 -3.035 9.750 9.027 1.00 20.14 H new ATOM 0 HG21 ILE A 42 -4.914 10.899 10.097 1.00 12.43 H new ATOM 0 HG22 ILE A 42 -6.560 10.233 9.970 1.00 12.43 H new ATOM 0 HG23 ILE A 42 -5.369 9.465 11.046 1.00 12.43 H new ATOM 0 HD11 ILE A 42 -2.069 7.835 10.147 1.00 72.15 H new ATOM 0 HD12 ILE A 42 -3.414 8.509 11.098 1.00 72.15 H new ATOM 0 HD13 ILE A 42 -3.652 7.021 10.152 1.00 72.15 H new ATOM 615 N PRO A 43 -8.233 8.348 9.270 1.00 41.43 N ATOM 616 CA PRO A 43 -9.476 8.967 8.871 1.00 54.34 C ATOM 617 C PRO A 43 -9.131 10.313 8.271 1.00 34.24 C ATOM 618 O PRO A 43 -8.652 11.188 9.004 1.00 34.31 O ATOM 619 CB PRO A 43 -10.302 9.086 10.164 1.00 32.44 C ATOM 620 CG PRO A 43 -9.267 8.952 11.305 1.00 23.01 C ATOM 621 CD PRO A 43 -8.176 8.067 10.705 1.00 5.11 C ATOM 0 HA PRO A 43 -10.046 8.411 8.127 1.00 54.34 H new ATOM 0 HB2 PRO A 43 -10.824 10.041 10.214 1.00 32.44 H new ATOM 0 HB3 PRO A 43 -11.060 8.305 10.223 1.00 32.44 H new ATOM 0 HG2 PRO A 43 -8.874 9.924 11.605 1.00 23.01 H new ATOM 0 HG3 PRO A 43 -9.707 8.498 12.193 1.00 23.01 H new ATOM 0 HD2 PRO A 43 -7.197 8.307 11.119 1.00 5.11 H new ATOM 0 HD3 PRO A 43 -8.360 7.013 10.912 1.00 5.11 H new ATOM 629 N GLN A 44 -9.332 10.445 6.946 1.00 61.53 N ATOM 630 CA GLN A 44 -8.949 11.616 6.179 1.00 60.42 C ATOM 631 C GLN A 44 -7.454 11.647 5.949 1.00 42.33 C ATOM 632 O GLN A 44 -6.900 12.713 5.725 1.00 42.23 O ATOM 633 CB GLN A 44 -9.385 12.987 6.754 1.00 73.22 C ATOM 634 CG GLN A 44 -10.883 13.093 7.034 1.00 42.32 C ATOM 635 CD GLN A 44 -11.145 14.488 7.570 1.00 5.34 C ATOM 636 OE1 GLN A 44 -10.248 15.345 7.564 1.00 34.01 O ATOM 637 NE2 GLN A 44 -12.365 14.742 8.043 1.00 5.14 N ATOM 0 H GLN A 44 -9.774 9.720 6.381 1.00 61.53 H new ATOM 0 HA GLN A 44 -9.501 11.493 5.247 1.00 60.42 H new ATOM 0 HB2 GLN A 44 -8.839 13.172 7.679 1.00 73.22 H new ATOM 0 HB3 GLN A 44 -9.100 13.771 6.053 1.00 73.22 H new ATOM 0 HG2 GLN A 44 -11.457 12.917 6.124 1.00 42.32 H new ATOM 0 HG3 GLN A 44 -11.193 12.339 7.758 1.00 42.32 H new ATOM 0 HE21 GLN A 44 -13.078 14.013 8.032 1.00 5.14 H new ATOM 0 HE22 GLN A 44 -12.585 15.666 8.416 1.00 5.14 H new ATOM 646 N GLY A 45 -6.749 10.479 5.947 1.00 71.14 N ATOM 647 CA GLY A 45 -5.360 10.476 5.496 1.00 1.34 C ATOM 648 C GLY A 45 -5.372 10.648 3.998 1.00 5.41 C ATOM 649 O GLY A 45 -6.427 10.614 3.375 1.00 51.22 O ATOM 0 H GLY A 45 -7.115 9.574 6.242 1.00 71.14 H new ATOM 0 HA2 GLY A 45 -4.801 11.282 5.970 1.00 1.34 H new ATOM 0 HA3 GLY A 45 -4.869 9.543 5.771 1.00 1.34 H new ATOM 653 N ALA A 46 -4.167 10.829 3.377 1.00 0.44 N ATOM 654 CA ALA A 46 -4.077 11.150 1.939 1.00 40.34 C ATOM 655 C ALA A 46 -4.677 10.020 1.135 1.00 24.33 C ATOM 656 O ALA A 46 -5.238 10.239 0.077 1.00 34.15 O ATOM 657 CB ALA A 46 -2.626 11.373 1.432 1.00 72.54 C ATOM 0 H ALA A 46 -3.266 10.757 3.850 1.00 0.44 H new ATOM 0 HA ALA A 46 -4.620 12.086 1.807 1.00 40.34 H new ATOM 0 HB1 ALA A 46 -2.644 11.604 0.367 1.00 72.54 H new ATOM 0 HB2 ALA A 46 -2.174 12.203 1.976 1.00 72.54 H new ATOM 0 HB3 ALA A 46 -2.040 10.469 1.597 1.00 72.54 H new ATOM 663 N ALA A 47 -4.577 8.775 1.659 1.00 72.04 N ATOM 664 CA ALA A 47 -5.123 7.603 0.972 1.00 52.22 C ATOM 665 C ALA A 47 -6.622 7.757 0.879 1.00 22.03 C ATOM 666 O ALA A 47 -7.204 7.585 -0.180 1.00 74.00 O ATOM 667 CB ALA A 47 -4.853 6.294 1.734 1.00 31.22 C ATOM 0 H ALA A 47 -4.125 8.568 2.549 1.00 72.04 H new ATOM 0 HA ALA A 47 -4.642 7.547 -0.005 1.00 52.22 H new ATOM 0 HB1 ALA A 47 -5.279 5.457 1.181 1.00 31.22 H new ATOM 0 HB2 ALA A 47 -3.778 6.150 1.840 1.00 31.22 H new ATOM 0 HB3 ALA A 47 -5.311 6.347 2.722 1.00 31.22 H new ATOM 673 N GLU A 48 -7.266 8.090 2.025 1.00 42.33 N ATOM 674 CA GLU A 48 -8.722 8.177 2.093 1.00 23.10 C ATOM 675 C GLU A 48 -9.190 9.328 1.233 1.00 14.43 C ATOM 676 O GLU A 48 -10.232 9.251 0.592 1.00 44.52 O ATOM 677 CB GLU A 48 -9.266 8.399 3.529 1.00 41.55 C ATOM 678 CG GLU A 48 -10.802 8.310 3.602 1.00 60.35 C ATOM 679 CD GLU A 48 -11.237 8.619 5.001 1.00 53.12 C ATOM 680 OE1 GLU A 48 -10.881 7.869 5.916 1.00 20.42 O ATOM 681 OE2 GLU A 48 -11.947 9.624 5.193 1.00 71.30 O ATOM 0 H GLU A 48 -6.791 8.299 2.903 1.00 42.33 H new ATOM 0 HA GLU A 48 -9.104 7.218 1.742 1.00 23.10 H new ATOM 0 HB2 GLU A 48 -8.831 7.656 4.197 1.00 41.55 H new ATOM 0 HB3 GLU A 48 -8.945 9.377 3.888 1.00 41.55 H new ATOM 0 HG2 GLU A 48 -11.254 9.013 2.902 1.00 60.35 H new ATOM 0 HG3 GLU A 48 -11.136 7.313 3.314 1.00 60.35 H new ATOM 688 N SER A 49 -8.415 10.425 1.204 1.00 24.31 N ATOM 689 CA SER A 49 -8.790 11.593 0.429 1.00 42.20 C ATOM 690 C SER A 49 -8.767 11.229 -1.040 1.00 71.20 C ATOM 691 O SER A 49 -9.631 11.636 -1.805 1.00 55.22 O ATOM 692 CB SER A 49 -7.827 12.772 0.655 1.00 73.43 C ATOM 693 OG SER A 49 -7.747 13.055 2.055 1.00 23.10 O ATOM 0 H SER A 49 -7.533 10.516 1.708 1.00 24.31 H new ATOM 0 HA SER A 49 -9.785 11.902 0.749 1.00 42.20 H new ATOM 0 HB2 SER A 49 -6.839 12.529 0.264 1.00 73.43 H new ATOM 0 HB3 SER A 49 -8.177 13.651 0.114 1.00 73.43 H new ATOM 0 HG SER A 49 -7.303 12.312 2.514 1.00 23.10 H new ATOM 699 N ASP A 50 -7.762 10.432 -1.446 1.00 54.44 N ATOM 700 CA ASP A 50 -7.616 10.048 -2.853 1.00 75.14 C ATOM 701 C ASP A 50 -8.738 9.085 -3.200 1.00 40.15 C ATOM 702 O ASP A 50 -9.375 9.192 -4.257 1.00 64.23 O ATOM 703 CB ASP A 50 -6.264 9.371 -3.165 1.00 34.14 C ATOM 704 CG ASP A 50 -6.110 9.269 -4.673 1.00 25.41 C ATOM 705 OD1 ASP A 50 -6.180 10.324 -5.356 1.00 54.23 O ATOM 706 OD2 ASP A 50 -5.910 8.167 -5.176 1.00 74.53 O ATOM 0 H ASP A 50 -7.050 10.048 -0.825 1.00 54.44 H new ATOM 0 HA ASP A 50 -7.658 10.960 -3.449 1.00 75.14 H new ATOM 0 HB2 ASP A 50 -5.444 9.949 -2.739 1.00 34.14 H new ATOM 0 HB3 ASP A 50 -6.224 8.380 -2.713 1.00 34.14 H new ATOM 711 N GLY A 51 -9.041 8.164 -2.270 1.00 2.35 N ATOM 712 CA GLY A 51 -10.199 7.292 -2.419 1.00 41.21 C ATOM 713 C GLY A 51 -9.792 5.979 -3.027 1.00 2.53 C ATOM 714 O GLY A 51 -10.570 5.037 -3.043 1.00 72.23 O ATOM 0 H GLY A 51 -8.501 8.011 -1.418 1.00 2.35 H new ATOM 0 HA2 GLY A 51 -10.661 7.122 -1.447 1.00 41.21 H new ATOM 0 HA3 GLY A 51 -10.947 7.775 -3.048 1.00 41.21 H new ATOM 718 N ARG A 52 -8.576 5.896 -3.586 1.00 22.55 N ATOM 719 CA ARG A 52 -8.178 4.690 -4.300 1.00 62.23 C ATOM 720 C ARG A 52 -7.639 3.685 -3.335 1.00 44.40 C ATOM 721 O ARG A 52 -7.908 2.498 -3.465 1.00 14.22 O ATOM 722 CB ARG A 52 -7.114 4.943 -5.382 1.00 4.13 C ATOM 723 CG ARG A 52 -7.593 5.915 -6.457 1.00 25.21 C ATOM 724 CD ARG A 52 -8.871 5.457 -7.176 1.00 70.31 C ATOM 725 NE ARG A 52 -9.312 6.562 -8.074 1.00 54.34 N ATOM 726 CZ ARG A 52 -8.809 6.720 -9.347 1.00 44.01 C ATOM 727 NH1 ARG A 52 -7.907 5.828 -9.867 1.00 62.42 N ATOM 728 NH2 ARG A 52 -9.209 7.777 -10.080 1.00 70.04 N ATOM 0 H ARG A 52 -7.872 6.633 -3.556 1.00 22.55 H new ATOM 0 HA ARG A 52 -9.075 4.322 -4.798 1.00 62.23 H new ATOM 0 HB2 ARG A 52 -6.212 5.339 -4.915 1.00 4.13 H new ATOM 0 HB3 ARG A 52 -6.842 3.996 -5.848 1.00 4.13 H new ATOM 0 HG2 ARG A 52 -7.772 6.889 -6.001 1.00 25.21 H new ATOM 0 HG3 ARG A 52 -6.800 6.049 -7.193 1.00 25.21 H new ATOM 0 HD2 ARG A 52 -8.681 4.551 -7.751 1.00 70.31 H new ATOM 0 HD3 ARG A 52 -9.651 5.218 -6.453 1.00 70.31 H new ATOM 0 HE ARG A 52 -10.010 7.224 -7.735 1.00 54.34 H new ATOM 0 HH11 ARG A 52 -7.598 5.032 -9.310 1.00 62.42 H new ATOM 0 HH12 ARG A 52 -7.545 5.961 -10.811 1.00 62.42 H new ATOM 0 HH21 ARG A 52 -9.874 8.445 -9.691 1.00 70.04 H new ATOM 0 HH22 ARG A 52 -8.847 7.909 -11.024 1.00 70.04 H new ATOM 742 N ILE A 53 -6.841 4.134 -2.364 1.00 22.44 N ATOM 743 CA ILE A 53 -6.207 3.207 -1.464 1.00 52.34 C ATOM 744 C ILE A 53 -7.064 3.160 -0.238 1.00 4.10 C ATOM 745 O ILE A 53 -7.433 4.203 0.320 1.00 43.33 O ATOM 746 CB ILE A 53 -4.795 3.616 -1.097 1.00 71.05 C ATOM 747 CG1 ILE A 53 -3.986 3.852 -2.388 1.00 13.51 C ATOM 748 CG2 ILE A 53 -4.173 2.531 -0.178 1.00 72.30 C ATOM 749 CD1 ILE A 53 -2.558 4.284 -2.127 1.00 33.24 C ATOM 0 H ILE A 53 -6.630 5.117 -2.193 1.00 22.44 H new ATOM 0 HA ILE A 53 -6.117 2.233 -1.945 1.00 52.34 H new ATOM 0 HB ILE A 53 -4.788 4.552 -0.538 1.00 71.05 H new ATOM 0 HG12 ILE A 53 -3.979 2.935 -2.978 1.00 13.51 H new ATOM 0 HG13 ILE A 53 -4.485 4.613 -2.988 1.00 13.51 H new ATOM 0 HG21 ILE A 53 -3.157 2.820 0.090 1.00 72.30 H new ATOM 0 HG22 ILE A 53 -4.773 2.433 0.727 1.00 72.30 H new ATOM 0 HG23 ILE A 53 -4.152 1.577 -0.704 1.00 72.30 H new ATOM 0 HD11 ILE A 53 -2.044 4.433 -3.076 1.00 33.24 H new ATOM 0 HD12 ILE A 53 -2.557 5.217 -1.563 1.00 33.24 H new ATOM 0 HD13 ILE A 53 -2.044 3.513 -1.553 1.00 33.24 H new ATOM 761 N HIS A 54 -7.438 1.949 0.169 1.00 31.03 N ATOM 762 CA HIS A 54 -8.317 1.752 1.276 1.00 4.23 C ATOM 763 C HIS A 54 -7.591 0.892 2.241 1.00 55.15 C ATOM 764 O HIS A 54 -6.520 0.373 1.955 1.00 40.40 O ATOM 765 CB HIS A 54 -9.572 0.949 0.873 1.00 72.12 C ATOM 766 CG HIS A 54 -10.161 1.405 -0.418 1.00 4.02 C ATOM 767 ND1 HIS A 54 -10.153 0.808 -1.620 1.00 44.52 N flip ATOM 768 CD2 HIS A 54 -10.793 2.600 -0.558 1.00 12.31 C flip ATOM 769 CE1 HIS A 54 -10.793 1.635 -2.486 1.00 62.44 C flip ATOM 770 NE2 HIS A 54 -11.176 2.720 -1.824 1.00 32.32 N flip ATOM 0 H HIS A 54 -7.128 1.084 -0.275 1.00 31.03 H new ATOM 0 HA HIS A 54 -8.613 2.726 1.666 1.00 4.23 H new ATOM 0 HB2 HIS A 54 -9.313 -0.107 0.796 1.00 72.12 H new ATOM 0 HB3 HIS A 54 -10.321 1.036 1.660 1.00 72.12 H new ATOM 0 HD2 HIS A 54 -10.956 3.326 0.225 1.00 12.31 H new ATOM 0 HE1 HIS A 54 -10.962 1.443 -3.535 1.00 62.44 H new ATOM 0 HE2 HIS A 54 -11.680 3.513 -2.221 1.00 32.32 H new ATOM 779 N LYS A 55 -8.203 0.674 3.417 1.00 62.24 N ATOM 780 CA LYS A 55 -7.769 -0.356 4.327 1.00 42.50 C ATOM 781 C LYS A 55 -8.047 -1.677 3.640 1.00 21.00 C ATOM 782 O LYS A 55 -9.099 -1.842 3.009 1.00 54.41 O ATOM 783 CB LYS A 55 -8.579 -0.291 5.659 1.00 62.14 C ATOM 784 CG LYS A 55 -8.531 -1.527 6.577 1.00 14.50 C ATOM 785 CD LYS A 55 -7.147 -1.910 7.093 1.00 4.42 C ATOM 786 CE LYS A 55 -7.201 -2.896 8.279 1.00 63.12 C ATOM 787 NZ LYS A 55 -8.116 -4.031 7.996 1.00 74.12 N ATOM 0 H LYS A 55 -9.005 1.212 3.746 1.00 62.24 H new ATOM 0 HA LYS A 55 -6.713 -0.234 4.570 1.00 42.50 H new ATOM 0 HB2 LYS A 55 -8.222 0.567 6.229 1.00 62.14 H new ATOM 0 HB3 LYS A 55 -9.622 -0.096 5.410 1.00 62.14 H new ATOM 0 HG2 LYS A 55 -9.182 -1.347 7.433 1.00 14.50 H new ATOM 0 HG3 LYS A 55 -8.945 -2.377 6.035 1.00 14.50 H new ATOM 0 HD2 LYS A 55 -6.573 -2.357 6.281 1.00 4.42 H new ATOM 0 HD3 LYS A 55 -6.617 -1.009 7.400 1.00 4.42 H new ATOM 0 HE2 LYS A 55 -6.200 -3.276 8.485 1.00 63.12 H new ATOM 0 HE3 LYS A 55 -7.534 -2.372 9.175 1.00 63.12 H new ATOM 0 HZ1 LYS A 55 -7.968 -4.780 8.702 1.00 74.12 H new ATOM 0 HZ2 LYS A 55 -9.102 -3.702 8.041 1.00 74.12 H new ATOM 0 HZ3 LYS A 55 -7.920 -4.407 7.046 1.00 74.12 H new ATOM 801 N GLY A 56 -7.102 -2.641 3.728 1.00 2.25 N ATOM 802 CA GLY A 56 -7.334 -3.959 3.181 1.00 33.12 C ATOM 803 C GLY A 56 -6.654 -4.060 1.858 1.00 1.52 C ATOM 804 O GLY A 56 -6.460 -5.164 1.351 1.00 63.41 O ATOM 0 H GLY A 56 -6.191 -2.515 4.169 1.00 2.25 H new ATOM 0 HA2 GLY A 56 -6.952 -4.721 3.860 1.00 33.12 H new ATOM 0 HA3 GLY A 56 -8.403 -4.138 3.070 1.00 33.12 H new ATOM 808 N ASP A 57 -6.288 -2.894 1.250 1.00 61.51 N ATOM 809 CA ASP A 57 -5.715 -2.875 -0.103 1.00 14.30 C ATOM 810 C ASP A 57 -4.399 -3.565 -0.082 1.00 75.12 C ATOM 811 O ASP A 57 -3.711 -3.544 0.913 1.00 24.44 O ATOM 812 CB ASP A 57 -5.524 -1.459 -0.694 1.00 1.21 C ATOM 813 CG ASP A 57 -6.700 -1.173 -1.603 1.00 21.51 C ATOM 814 OD1 ASP A 57 -6.854 -1.882 -2.613 1.00 70.23 O ATOM 815 OD2 ASP A 57 -7.472 -0.258 -1.312 1.00 32.32 O ATOM 0 H ASP A 57 -6.383 -1.974 1.680 1.00 61.51 H new ATOM 0 HA ASP A 57 -6.434 -3.384 -0.745 1.00 14.30 H new ATOM 0 HB2 ASP A 57 -5.468 -0.717 0.103 1.00 1.21 H new ATOM 0 HB3 ASP A 57 -4.588 -1.400 -1.250 1.00 1.21 H new ATOM 820 N ARG A 58 -4.045 -4.240 -1.200 1.00 1.30 N ATOM 821 CA ARG A 58 -2.826 -5.010 -1.246 1.00 41.40 C ATOM 822 C ARG A 58 -1.872 -4.230 -2.073 1.00 2.22 C ATOM 823 O ARG A 58 -2.183 -3.880 -3.199 1.00 2.01 O ATOM 824 CB ARG A 58 -2.985 -6.394 -1.922 1.00 31.11 C ATOM 825 CG ARG A 58 -1.705 -7.262 -1.857 1.00 4.24 C ATOM 826 CD ARG A 58 -1.775 -8.518 -2.727 1.00 24.11 C ATOM 827 NE ARG A 58 -3.028 -9.265 -2.358 1.00 41.11 N ATOM 828 CZ ARG A 58 -3.711 -10.033 -3.285 1.00 32.33 C ATOM 829 NH1 ARG A 58 -3.215 -10.206 -4.540 1.00 72.50 N ATOM 830 NH2 ARG A 58 -4.887 -10.621 -2.944 1.00 4.43 N ATOM 0 H ARG A 58 -4.592 -4.254 -2.061 1.00 1.30 H new ATOM 0 HA ARG A 58 -2.501 -5.186 -0.221 1.00 41.40 H new ATOM 0 HB2 ARG A 58 -3.804 -6.931 -1.444 1.00 31.11 H new ATOM 0 HB3 ARG A 58 -3.265 -6.250 -2.966 1.00 31.11 H new ATOM 0 HG2 ARG A 58 -0.851 -6.660 -2.169 1.00 4.24 H new ATOM 0 HG3 ARG A 58 -1.527 -7.556 -0.823 1.00 4.24 H new ATOM 0 HD2 ARG A 58 -1.787 -8.250 -3.784 1.00 24.11 H new ATOM 0 HD3 ARG A 58 -0.897 -9.143 -2.567 1.00 24.11 H new ATOM 0 HE ARG A 58 -3.382 -9.204 -1.403 1.00 41.11 H new ATOM 0 HH11 ARG A 58 -2.333 -9.768 -4.805 1.00 72.50 H new ATOM 0 HH12 ARG A 58 -3.725 -10.774 -5.216 1.00 72.50 H new ATOM 0 HH21 ARG A 58 -5.266 -10.496 -2.005 1.00 4.43 H new ATOM 0 HH22 ARG A 58 -5.391 -11.187 -3.627 1.00 4.43 H new ATOM 844 N VAL A 59 -0.691 -3.956 -1.532 1.00 51.22 N ATOM 845 CA VAL A 59 0.328 -3.261 -2.245 1.00 1.33 C ATOM 846 C VAL A 59 1.336 -4.326 -2.615 1.00 23.22 C ATOM 847 O VAL A 59 1.560 -5.273 -1.858 1.00 1.23 O ATOM 848 CB VAL A 59 1.016 -2.184 -1.395 1.00 61.00 C ATOM 849 CG1 VAL A 59 1.917 -1.310 -2.298 1.00 25.13 C ATOM 850 CG2 VAL A 59 -0.081 -1.358 -0.672 1.00 4.32 C ATOM 0 H VAL A 59 -0.430 -4.218 -0.582 1.00 51.22 H new ATOM 0 HA VAL A 59 -0.096 -2.741 -3.104 1.00 1.33 H new ATOM 0 HB VAL A 59 1.661 -2.630 -0.638 1.00 61.00 H new ATOM 0 HG11 VAL A 59 2.405 -0.545 -1.694 1.00 25.13 H new ATOM 0 HG12 VAL A 59 2.673 -1.936 -2.772 1.00 25.13 H new ATOM 0 HG13 VAL A 59 1.308 -0.832 -3.066 1.00 25.13 H new ATOM 0 HG21 VAL A 59 0.388 -0.586 -0.062 1.00 4.32 H new ATOM 0 HG22 VAL A 59 -0.731 -0.891 -1.412 1.00 4.32 H new ATOM 0 HG23 VAL A 59 -0.671 -2.016 -0.034 1.00 4.32 H new ATOM 860 N LEU A 60 1.944 -4.206 -3.796 1.00 35.03 N ATOM 861 CA LEU A 60 2.987 -5.131 -4.175 1.00 54.02 C ATOM 862 C LEU A 60 4.247 -4.346 -4.315 1.00 43.40 C ATOM 863 O LEU A 60 5.301 -4.751 -3.818 1.00 5.23 O ATOM 864 CB LEU A 60 2.734 -5.939 -5.478 1.00 24.05 C ATOM 865 CG LEU A 60 1.908 -5.253 -6.573 1.00 34.34 C ATOM 866 CD1 LEU A 60 2.226 -5.837 -7.940 1.00 31.03 C ATOM 867 CD2 LEU A 60 0.403 -5.319 -6.297 1.00 10.24 C ATOM 0 H LEU A 60 1.730 -3.488 -4.488 1.00 35.03 H new ATOM 0 HA LEU A 60 3.033 -5.887 -3.391 1.00 54.02 H new ATOM 0 HB2 LEU A 60 3.701 -6.209 -5.902 1.00 24.05 H new ATOM 0 HB3 LEU A 60 2.233 -6.869 -5.208 1.00 24.05 H new ATOM 0 HG LEU A 60 2.191 -4.200 -6.567 1.00 34.34 H new ATOM 0 HD11 LEU A 60 1.627 -5.334 -8.699 1.00 31.03 H new ATOM 0 HD12 LEU A 60 3.284 -5.695 -8.159 1.00 31.03 H new ATOM 0 HD13 LEU A 60 1.995 -6.902 -7.943 1.00 31.03 H new ATOM 0 HD21 LEU A 60 -0.137 -4.819 -7.101 1.00 10.24 H new ATOM 0 HD22 LEU A 60 0.089 -6.361 -6.242 1.00 10.24 H new ATOM 0 HD23 LEU A 60 0.185 -4.824 -5.351 1.00 10.24 H new ATOM 879 N ALA A 61 4.175 -3.189 -4.979 1.00 51.21 N ATOM 880 CA ALA A 61 5.388 -2.421 -5.179 1.00 33.41 C ATOM 881 C ALA A 61 5.153 -1.020 -4.764 1.00 13.34 C ATOM 882 O ALA A 61 4.019 -0.561 -4.633 1.00 72.40 O ATOM 883 CB ALA A 61 5.897 -2.409 -6.628 1.00 41.15 C ATOM 0 H ALA A 61 3.324 -2.784 -5.369 1.00 51.21 H new ATOM 0 HA ALA A 61 6.152 -2.910 -4.575 1.00 33.41 H new ATOM 0 HB1 ALA A 61 6.807 -1.812 -6.689 1.00 41.15 H new ATOM 0 HB2 ALA A 61 6.110 -3.429 -6.947 1.00 41.15 H new ATOM 0 HB3 ALA A 61 5.136 -1.977 -7.277 1.00 41.15 H new ATOM 889 N VAL A 62 6.277 -0.335 -4.514 1.00 24.33 N ATOM 890 CA VAL A 62 6.274 1.002 -4.007 1.00 12.01 C ATOM 891 C VAL A 62 7.324 1.717 -4.779 1.00 31.12 C ATOM 892 O VAL A 62 8.485 1.472 -4.621 1.00 2.04 O ATOM 893 CB VAL A 62 6.592 1.110 -2.519 1.00 33.13 C ATOM 894 CG1 VAL A 62 6.538 2.600 -2.094 1.00 4.30 C ATOM 895 CG2 VAL A 62 5.589 0.225 -1.741 1.00 15.44 C ATOM 0 H VAL A 62 7.211 -0.716 -4.666 1.00 24.33 H new ATOM 0 HA VAL A 62 5.274 1.420 -4.118 1.00 12.01 H new ATOM 0 HB VAL A 62 7.597 0.751 -2.295 1.00 33.13 H new ATOM 0 HG11 VAL A 62 6.764 2.684 -1.031 1.00 4.30 H new ATOM 0 HG12 VAL A 62 7.271 3.169 -2.667 1.00 4.30 H new ATOM 0 HG13 VAL A 62 5.541 2.997 -2.285 1.00 4.30 H new ATOM 0 HG21 VAL A 62 5.800 0.288 -0.673 1.00 15.44 H new ATOM 0 HG22 VAL A 62 4.573 0.572 -1.932 1.00 15.44 H new ATOM 0 HG23 VAL A 62 5.686 -0.810 -2.069 1.00 15.44 H new ATOM 905 N ASN A 63 6.883 2.613 -5.644 1.00 34.20 N ATOM 906 CA ASN A 63 7.711 3.438 -6.521 1.00 63.41 C ATOM 907 C ASN A 63 8.759 2.619 -7.243 1.00 73.41 C ATOM 908 O ASN A 63 9.892 3.048 -7.408 1.00 63.33 O ATOM 909 CB ASN A 63 8.353 4.673 -5.835 1.00 45.01 C ATOM 910 CG ASN A 63 8.426 5.800 -6.866 1.00 31.31 C ATOM 911 OD1 ASN A 63 7.376 6.329 -7.288 1.00 65.21 O ATOM 912 ND2 ASN A 63 9.640 6.178 -7.288 1.00 14.40 N ATOM 0 H ASN A 63 5.887 2.798 -5.764 1.00 34.20 H new ATOM 0 HA ASN A 63 7.011 3.840 -7.254 1.00 63.41 H new ATOM 0 HB2 ASN A 63 7.760 4.982 -4.974 1.00 45.01 H new ATOM 0 HB3 ASN A 63 9.349 4.429 -5.466 1.00 45.01 H new ATOM 0 HD21 ASN A 63 9.731 6.923 -7.979 1.00 14.40 H new ATOM 0 HD22 ASN A 63 10.474 5.721 -6.919 1.00 14.40 H new ATOM 919 N GLY A 64 8.363 1.413 -7.700 1.00 75.25 N ATOM 920 CA GLY A 64 9.231 0.585 -8.524 1.00 34.31 C ATOM 921 C GLY A 64 10.116 -0.246 -7.641 1.00 54.32 C ATOM 922 O GLY A 64 10.987 -0.963 -8.129 1.00 33.22 O ATOM 0 H GLY A 64 7.449 1.003 -7.507 1.00 75.25 H new ATOM 0 HA2 GLY A 64 8.632 -0.060 -9.167 1.00 34.31 H new ATOM 0 HA3 GLY A 64 9.837 1.213 -9.177 1.00 34.31 H new ATOM 926 N VAL A 65 9.911 -0.173 -6.313 1.00 51.45 N ATOM 927 CA VAL A 65 10.710 -0.921 -5.405 1.00 24.15 C ATOM 928 C VAL A 65 9.880 -2.102 -5.052 1.00 30.21 C ATOM 929 O VAL A 65 8.734 -1.964 -4.596 1.00 42.23 O ATOM 930 CB VAL A 65 11.070 -0.162 -4.127 1.00 23.21 C ATOM 931 CG1 VAL A 65 11.969 -1.055 -3.239 1.00 62.23 C ATOM 932 CG2 VAL A 65 11.754 1.168 -4.532 1.00 3.52 C ATOM 0 H VAL A 65 9.193 0.403 -5.874 1.00 51.45 H new ATOM 0 HA VAL A 65 11.663 -1.166 -5.873 1.00 24.15 H new ATOM 0 HB VAL A 65 10.185 0.080 -3.539 1.00 23.21 H new ATOM 0 HG11 VAL A 65 12.228 -0.518 -2.327 1.00 62.23 H new ATOM 0 HG12 VAL A 65 11.434 -1.969 -2.982 1.00 62.23 H new ATOM 0 HG13 VAL A 65 12.880 -1.308 -3.782 1.00 62.23 H new ATOM 0 HG21 VAL A 65 12.020 1.728 -3.636 1.00 3.52 H new ATOM 0 HG22 VAL A 65 12.655 0.954 -5.107 1.00 3.52 H new ATOM 0 HG23 VAL A 65 11.069 1.760 -5.139 1.00 3.52 H new ATOM 942 N SER A 66 10.415 -3.297 -5.293 1.00 50.04 N ATOM 943 CA SER A 66 9.737 -4.488 -4.905 1.00 10.43 C ATOM 944 C SER A 66 9.778 -4.585 -3.410 1.00 52.20 C ATOM 945 O SER A 66 10.830 -4.826 -2.797 1.00 74.35 O ATOM 946 CB SER A 66 10.349 -5.778 -5.477 1.00 24.32 C ATOM 947 OG SER A 66 10.303 -5.764 -6.902 1.00 73.12 O ATOM 0 H SER A 66 11.313 -3.445 -5.754 1.00 50.04 H new ATOM 0 HA SER A 66 8.725 -4.412 -5.302 1.00 10.43 H new ATOM 0 HB2 SER A 66 11.381 -5.877 -5.142 1.00 24.32 H new ATOM 0 HB3 SER A 66 9.806 -6.644 -5.098 1.00 24.32 H new ATOM 0 HG SER A 66 9.632 -6.406 -7.214 1.00 73.12 H new ATOM 953 N LEU A 67 8.612 -4.426 -2.802 1.00 12.21 N ATOM 954 CA LEU A 67 8.450 -4.662 -1.383 1.00 64.24 C ATOM 955 C LEU A 67 7.988 -6.075 -1.229 1.00 41.31 C ATOM 956 O LEU A 67 7.658 -6.510 -0.144 1.00 12.50 O ATOM 957 CB LEU A 67 7.399 -3.739 -0.737 1.00 2.40 C ATOM 958 CG LEU A 67 8.009 -2.433 -0.196 1.00 11.51 C ATOM 959 CD1 LEU A 67 8.921 -2.691 1.016 1.00 1.40 C ATOM 960 CD2 LEU A 67 8.708 -1.600 -1.278 1.00 12.12 C ATOM 0 H LEU A 67 7.759 -4.132 -3.278 1.00 12.21 H new ATOM 0 HA LEU A 67 9.401 -4.464 -0.888 1.00 64.24 H new ATOM 0 HB2 LEU A 67 6.631 -3.499 -1.472 1.00 2.40 H new ATOM 0 HB3 LEU A 67 6.906 -4.270 0.077 1.00 2.40 H new ATOM 0 HG LEU A 67 7.172 -1.826 0.149 1.00 11.51 H new ATOM 0 HD11 LEU A 67 9.333 -1.746 1.369 1.00 1.40 H new ATOM 0 HD12 LEU A 67 8.342 -3.156 1.814 1.00 1.40 H new ATOM 0 HD13 LEU A 67 9.735 -3.355 0.724 1.00 1.40 H new ATOM 0 HD21 LEU A 67 9.116 -0.693 -0.832 1.00 12.12 H new ATOM 0 HD22 LEU A 67 9.516 -2.183 -1.720 1.00 12.12 H new ATOM 0 HD23 LEU A 67 7.989 -1.332 -2.052 1.00 12.12 H new ATOM 972 N GLU A 68 8.015 -6.843 -2.331 1.00 33.14 N ATOM 973 CA GLU A 68 7.667 -8.233 -2.290 1.00 22.34 C ATOM 974 C GLU A 68 8.716 -8.927 -1.446 1.00 44.23 C ATOM 975 O GLU A 68 9.919 -8.677 -1.615 1.00 72.02 O ATOM 976 CB GLU A 68 7.690 -8.876 -3.695 1.00 62.32 C ATOM 977 CG GLU A 68 6.907 -8.082 -4.749 1.00 74.23 C ATOM 978 CD GLU A 68 7.220 -8.682 -6.098 1.00 61.13 C ATOM 979 OE1 GLU A 68 6.727 -9.792 -6.390 1.00 73.32 O ATOM 980 OE2 GLU A 68 7.961 -8.045 -6.875 1.00 11.22 O ATOM 0 H GLU A 68 8.279 -6.502 -3.256 1.00 33.14 H new ATOM 0 HA GLU A 68 6.660 -8.334 -1.886 1.00 22.34 H new ATOM 0 HB2 GLU A 68 8.725 -8.976 -4.023 1.00 62.32 H new ATOM 0 HB3 GLU A 68 7.278 -9.883 -3.631 1.00 62.32 H new ATOM 0 HG2 GLU A 68 5.837 -8.130 -4.548 1.00 74.23 H new ATOM 0 HG3 GLU A 68 7.189 -7.029 -4.723 1.00 74.23 H new ATOM 987 N GLY A 69 8.281 -9.784 -0.518 1.00 33.11 N ATOM 988 CA GLY A 69 9.202 -10.526 0.347 1.00 72.21 C ATOM 989 C GLY A 69 9.736 -9.660 1.477 1.00 32.32 C ATOM 990 O GLY A 69 10.274 -10.188 2.442 1.00 70.14 O ATOM 0 H GLY A 69 7.295 -9.981 -0.346 1.00 33.11 H new ATOM 0 HA2 GLY A 69 8.690 -11.393 0.764 1.00 72.21 H new ATOM 0 HA3 GLY A 69 10.035 -10.903 -0.247 1.00 72.21 H new ATOM 994 N ALA A 70 9.648 -8.299 1.352 1.00 70.15 N ATOM 995 CA ALA A 70 10.239 -7.384 2.330 1.00 55.05 C ATOM 996 C ALA A 70 9.598 -7.576 3.674 1.00 22.34 C ATOM 997 O ALA A 70 8.638 -8.295 3.823 1.00 74.33 O ATOM 998 CB ALA A 70 10.085 -5.900 1.947 1.00 63.15 C ATOM 0 H ALA A 70 9.172 -7.833 0.580 1.00 70.15 H new ATOM 0 HA ALA A 70 11.302 -7.624 2.355 1.00 55.05 H new ATOM 0 HB1 ALA A 70 10.545 -5.277 2.714 1.00 63.15 H new ATOM 0 HB2 ALA A 70 10.575 -5.718 0.990 1.00 63.15 H new ATOM 0 HB3 ALA A 70 9.026 -5.653 1.865 1.00 63.15 H new ATOM 1004 N THR A 71 10.161 -6.925 4.696 1.00 23.31 N ATOM 1005 CA THR A 71 9.641 -7.049 6.017 1.00 2.23 C ATOM 1006 C THR A 71 8.503 -6.068 6.150 1.00 22.02 C ATOM 1007 O THR A 71 8.389 -5.105 5.372 1.00 73.31 O ATOM 1008 CB THR A 71 10.696 -6.777 7.074 1.00 41.11 C ATOM 1009 OG1 THR A 71 11.400 -5.552 6.786 1.00 60.32 O ATOM 1010 CG2 THR A 71 11.689 -7.954 7.032 1.00 73.14 C ATOM 0 H THR A 71 10.973 -6.314 4.612 1.00 23.31 H new ATOM 0 HA THR A 71 9.300 -8.072 6.176 1.00 2.23 H new ATOM 0 HB THR A 71 10.231 -6.677 8.055 1.00 41.11 H new ATOM 0 HG1 THR A 71 12.075 -5.392 7.478 1.00 60.32 H new ATOM 0 HG21 THR A 71 12.468 -7.800 7.779 1.00 73.14 H new ATOM 0 HG22 THR A 71 11.161 -8.883 7.245 1.00 73.14 H new ATOM 0 HG23 THR A 71 12.142 -8.013 6.042 1.00 73.14 H new ATOM 1018 N HIS A 72 7.624 -6.314 7.146 1.00 71.23 N ATOM 1019 CA HIS A 72 6.466 -5.473 7.350 1.00 71.05 C ATOM 1020 C HIS A 72 6.938 -4.093 7.701 1.00 4.44 C ATOM 1021 O HIS A 72 6.438 -3.110 7.178 1.00 5.34 O ATOM 1022 CB HIS A 72 5.472 -5.991 8.426 1.00 53.04 C ATOM 1023 CG HIS A 72 5.954 -5.961 9.856 1.00 4.12 C ATOM 1024 ND1 HIS A 72 5.685 -4.914 10.693 1.00 24.31 N ATOM 1025 CD2 HIS A 72 6.606 -6.888 10.577 1.00 75.21 C ATOM 1026 CE1 HIS A 72 6.174 -5.197 11.891 1.00 31.11 C ATOM 1027 NE2 HIS A 72 6.733 -6.398 11.844 1.00 74.24 N ATOM 0 H HIS A 72 7.709 -7.086 7.807 1.00 71.23 H new ATOM 0 HA HIS A 72 5.901 -5.479 6.418 1.00 71.05 H new ATOM 0 HB2 HIS A 72 4.559 -5.399 8.361 1.00 53.04 H new ATOM 0 HB3 HIS A 72 5.204 -7.018 8.177 1.00 53.04 H new ATOM 0 HD2 HIS A 72 6.963 -7.843 10.220 1.00 75.21 H new ATOM 0 HE1 HIS A 72 6.125 -4.557 12.760 1.00 31.11 H new ATOM 0 HE2 HIS A 72 7.183 -6.876 12.625 1.00 74.24 H new ATOM 1036 N LYS A 73 7.974 -4.009 8.576 1.00 32.32 N ATOM 1037 CA LYS A 73 8.535 -2.731 8.961 1.00 2.14 C ATOM 1038 C LYS A 73 9.061 -2.003 7.735 1.00 5.42 C ATOM 1039 O LYS A 73 8.829 -0.810 7.593 1.00 13.31 O ATOM 1040 CB LYS A 73 9.679 -2.835 10.001 1.00 65.40 C ATOM 1041 CG LYS A 73 10.036 -1.477 10.637 1.00 0.42 C ATOM 1042 CD LYS A 73 11.167 -1.542 11.669 1.00 52.41 C ATOM 1043 CE LYS A 73 12.540 -1.858 11.047 1.00 13.24 C ATOM 1044 NZ LYS A 73 13.611 -1.791 12.061 1.00 71.31 N ATOM 0 H LYS A 73 8.420 -4.816 9.013 1.00 32.32 H new ATOM 0 HA LYS A 73 7.720 -2.180 9.431 1.00 2.14 H new ATOM 0 HB2 LYS A 73 9.387 -3.533 10.786 1.00 65.40 H new ATOM 0 HB3 LYS A 73 10.565 -3.249 9.519 1.00 65.40 H new ATOM 0 HG2 LYS A 73 10.321 -0.782 9.847 1.00 0.42 H new ATOM 0 HG3 LYS A 73 9.146 -1.068 11.116 1.00 0.42 H new ATOM 0 HD2 LYS A 73 11.225 -0.589 12.195 1.00 52.41 H new ATOM 0 HD3 LYS A 73 10.928 -2.303 12.412 1.00 52.41 H new ATOM 0 HE2 LYS A 73 12.520 -2.852 10.600 1.00 13.24 H new ATOM 0 HE3 LYS A 73 12.750 -1.151 10.244 1.00 13.24 H new ATOM 0 HZ1 LYS A 73 14.525 -2.008 11.615 1.00 71.31 H new ATOM 0 HZ2 LYS A 73 13.643 -0.835 12.469 1.00 71.31 H new ATOM 0 HZ3 LYS A 73 13.420 -2.483 12.814 1.00 71.31 H new ATOM 1058 N GLN A 74 9.779 -2.714 6.791 1.00 4.23 N ATOM 1059 CA GLN A 74 10.387 -2.038 5.631 1.00 3.30 C ATOM 1060 C GLN A 74 9.305 -1.409 4.805 1.00 34.41 C ATOM 1061 O GLN A 74 9.486 -0.340 4.236 1.00 21.24 O ATOM 1062 CB GLN A 74 11.159 -3.008 4.680 1.00 30.03 C ATOM 1063 CG GLN A 74 11.995 -2.264 3.609 1.00 50.55 C ATOM 1064 CD GLN A 74 12.461 -3.260 2.563 1.00 54.20 C ATOM 1065 OE1 GLN A 74 12.245 -3.053 1.364 1.00 5.24 O ATOM 1066 NE2 GLN A 74 13.093 -4.359 3.001 1.00 12.12 N ATOM 0 H GLN A 74 9.935 -3.721 6.827 1.00 4.23 H new ATOM 0 HA GLN A 74 11.090 -1.313 6.040 1.00 3.30 H new ATOM 0 HB2 GLN A 74 11.819 -3.641 5.273 1.00 30.03 H new ATOM 0 HB3 GLN A 74 10.446 -3.666 4.184 1.00 30.03 H new ATOM 0 HG2 GLN A 74 11.397 -1.481 3.143 1.00 50.55 H new ATOM 0 HG3 GLN A 74 12.853 -1.777 4.073 1.00 50.55 H new ATOM 0 HE21 GLN A 74 13.252 -4.492 4.000 1.00 12.12 H new ATOM 0 HE22 GLN A 74 13.415 -5.062 2.335 1.00 12.12 H new ATOM 1075 N ALA A 75 8.148 -2.082 4.715 1.00 32.22 N ATOM 1076 CA ALA A 75 7.047 -1.612 3.894 1.00 24.43 C ATOM 1077 C ALA A 75 6.609 -0.252 4.391 1.00 52.24 C ATOM 1078 O ALA A 75 6.283 0.630 3.599 1.00 12.51 O ATOM 1079 CB ALA A 75 5.841 -2.567 3.921 1.00 41.52 C ATOM 0 H ALA A 75 7.961 -2.956 5.207 1.00 32.22 H new ATOM 0 HA ALA A 75 7.402 -1.561 2.865 1.00 24.43 H new ATOM 0 HB1 ALA A 75 5.046 -2.168 3.291 1.00 41.52 H new ATOM 0 HB2 ALA A 75 6.143 -3.545 3.548 1.00 41.52 H new ATOM 0 HB3 ALA A 75 5.478 -2.665 4.944 1.00 41.52 H new ATOM 1085 N VAL A 76 6.637 -0.051 5.724 1.00 35.24 N ATOM 1086 CA VAL A 76 6.250 1.219 6.296 1.00 23.42 C ATOM 1087 C VAL A 76 7.379 2.207 6.009 1.00 74.32 C ATOM 1088 O VAL A 76 7.132 3.309 5.502 1.00 75.35 O ATOM 1089 CB VAL A 76 6.003 1.162 7.806 1.00 0.43 C ATOM 1090 CG1 VAL A 76 5.386 2.506 8.254 1.00 25.45 C ATOM 1091 CG2 VAL A 76 5.084 -0.040 8.121 1.00 41.01 C ATOM 0 H VAL A 76 6.923 -0.755 6.404 1.00 35.24 H new ATOM 0 HA VAL A 76 5.304 1.520 5.846 1.00 23.42 H new ATOM 0 HB VAL A 76 6.933 1.018 8.356 1.00 0.43 H new ATOM 0 HG11 VAL A 76 5.203 2.482 9.328 1.00 25.45 H new ATOM 0 HG12 VAL A 76 6.074 3.318 8.021 1.00 25.45 H new ATOM 0 HG13 VAL A 76 4.444 2.667 7.729 1.00 25.45 H new ATOM 0 HG21 VAL A 76 4.903 -0.088 9.195 1.00 41.01 H new ATOM 0 HG22 VAL A 76 4.135 0.081 7.598 1.00 41.01 H new ATOM 0 HG23 VAL A 76 5.565 -0.961 7.793 1.00 41.01 H new ATOM 1101 N CYS A 77 8.660 1.796 6.346 1.00 11.22 N ATOM 1102 CA CYS A 77 9.859 2.727 6.209 1.00 21.50 C ATOM 1103 C CYS A 77 9.885 3.286 4.778 1.00 1.54 C ATOM 1104 O CYS A 77 10.523 4.256 4.486 1.00 44.12 O ATOM 1105 CB CYS A 77 11.201 1.977 6.410 1.00 72.33 C ATOM 1106 SG CYS A 77 11.327 1.207 8.050 1.00 74.43 S ATOM 0 H CYS A 77 8.886 0.866 6.700 1.00 11.22 H new ATOM 0 HA CYS A 77 9.757 3.504 6.966 1.00 21.50 H new ATOM 0 HB2 CYS A 77 11.303 1.210 5.643 1.00 72.33 H new ATOM 0 HB3 CYS A 77 12.027 2.675 6.275 1.00 72.33 H new ATOM 0 HG CYS A 77 10.339 0.379 8.218 1.00 74.43 H new ATOM 1111 N THR A 78 9.370 2.482 3.825 1.00 53.12 N ATOM 1112 CA THR A 78 9.475 2.818 2.420 1.00 14.24 C ATOM 1113 C THR A 78 8.633 4.040 2.169 1.00 14.41 C ATOM 1114 O THR A 78 9.119 5.021 1.657 1.00 42.32 O ATOM 1115 CB THR A 78 9.041 1.699 1.499 1.00 32.54 C ATOM 1116 OG1 THR A 78 9.833 0.545 1.763 1.00 52.11 O ATOM 1117 CG2 THR A 78 9.264 2.144 0.032 1.00 44.45 C ATOM 0 H THR A 78 8.884 1.606 4.017 1.00 53.12 H new ATOM 0 HA THR A 78 10.526 3.001 2.197 1.00 14.24 H new ATOM 0 HB THR A 78 7.988 1.468 1.662 1.00 32.54 H new ATOM 0 HG1 THR A 78 9.534 0.127 2.597 1.00 52.11 H new ATOM 0 HG21 THR A 78 8.955 1.345 -0.642 1.00 44.45 H new ATOM 0 HG22 THR A 78 8.674 3.038 -0.171 1.00 44.45 H new ATOM 0 HG23 THR A 78 10.320 2.363 -0.125 1.00 44.45 H new ATOM 1125 N LEU A 79 7.346 3.985 2.559 1.00 1.32 N ATOM 1126 CA LEU A 79 6.416 5.103 2.364 1.00 63.15 C ATOM 1127 C LEU A 79 6.991 6.348 3.014 1.00 24.13 C ATOM 1128 O LEU A 79 7.155 7.368 2.383 1.00 51.50 O ATOM 1129 CB LEU A 79 5.020 4.825 2.969 1.00 53.23 C ATOM 1130 CG LEU A 79 4.344 3.557 2.384 1.00 44.15 C ATOM 1131 CD1 LEU A 79 2.999 3.235 3.067 1.00 13.14 C ATOM 1132 CD2 LEU A 79 4.237 3.583 0.840 1.00 53.00 C ATOM 0 H LEU A 79 6.929 3.172 3.013 1.00 1.32 H new ATOM 0 HA LEU A 79 6.292 5.240 1.290 1.00 63.15 H new ATOM 0 HB2 LEU A 79 5.115 4.713 4.049 1.00 53.23 H new ATOM 0 HB3 LEU A 79 4.376 5.687 2.793 1.00 53.23 H new ATOM 0 HG LEU A 79 5.013 2.729 2.619 1.00 44.15 H new ATOM 0 HD11 LEU A 79 2.569 2.339 2.620 1.00 13.14 H new ATOM 0 HD12 LEU A 79 3.163 3.066 4.131 1.00 13.14 H new ATOM 0 HD13 LEU A 79 2.314 4.072 2.933 1.00 13.14 H new ATOM 0 HD21 LEU A 79 3.755 2.669 0.493 1.00 53.00 H new ATOM 0 HD22 LEU A 79 3.645 4.445 0.531 1.00 53.00 H new ATOM 0 HD23 LEU A 79 5.235 3.654 0.407 1.00 53.00 H new ATOM 1144 N ARG A 80 7.305 6.253 4.303 1.00 50.13 N ATOM 1145 CA ARG A 80 7.983 7.352 5.025 1.00 61.04 C ATOM 1146 C ARG A 80 9.211 7.900 4.256 1.00 5.34 C ATOM 1147 O ARG A 80 9.562 9.063 4.409 1.00 61.14 O ATOM 1148 CB ARG A 80 8.419 6.979 6.449 1.00 15.31 C ATOM 1149 CG ARG A 80 7.269 6.420 7.287 1.00 33.13 C ATOM 1150 CD ARG A 80 7.616 6.293 8.777 1.00 70.22 C ATOM 1151 NE ARG A 80 6.541 5.503 9.462 1.00 60.34 N ATOM 1152 CZ ARG A 80 5.311 6.042 9.806 1.00 22.03 C ATOM 1153 NH1 ARG A 80 5.004 7.345 9.509 1.00 21.32 N ATOM 1154 NH2 ARG A 80 4.387 5.268 10.443 1.00 32.33 N ATOM 0 H ARG A 80 7.106 5.434 4.877 1.00 50.13 H new ATOM 0 HA ARG A 80 7.222 8.129 5.095 1.00 61.04 H new ATOM 0 HB2 ARG A 80 9.219 6.241 6.399 1.00 15.31 H new ATOM 0 HB3 ARG A 80 8.829 7.860 6.942 1.00 15.31 H new ATOM 0 HG2 ARG A 80 6.399 7.067 7.177 1.00 33.13 H new ATOM 0 HG3 ARG A 80 6.989 5.440 6.901 1.00 33.13 H new ATOM 0 HD2 ARG A 80 8.581 5.800 8.898 1.00 70.22 H new ATOM 0 HD3 ARG A 80 7.703 7.281 9.229 1.00 70.22 H new ATOM 0 HE ARG A 80 6.723 4.524 9.685 1.00 60.34 H new ATOM 0 HH11 ARG A 80 5.685 7.933 9.028 1.00 21.32 H new ATOM 0 HH12 ARG A 80 4.094 7.727 9.769 1.00 21.32 H new ATOM 0 HH21 ARG A 80 4.602 4.296 10.665 1.00 32.33 H new ATOM 0 HH22 ARG A 80 3.481 5.661 10.698 1.00 32.33 H new ATOM 1168 N ASN A 81 9.871 7.066 3.431 1.00 62.25 N ATOM 1169 CA ASN A 81 11.093 7.473 2.744 1.00 54.03 C ATOM 1170 C ASN A 81 10.754 8.037 1.352 1.00 33.34 C ATOM 1171 O ASN A 81 11.608 8.655 0.719 1.00 31.51 O ATOM 1172 CB ASN A 81 12.068 6.268 2.545 1.00 4.42 C ATOM 1173 CG ASN A 81 13.433 6.770 2.074 1.00 20.10 C ATOM 1174 OD1 ASN A 81 14.112 7.531 2.785 1.00 25.13 O ATOM 1175 ND2 ASN A 81 13.861 6.340 0.873 1.00 0.34 N ATOM 0 H ASN A 81 9.573 6.111 3.230 1.00 62.25 H new ATOM 0 HA ASN A 81 11.573 8.230 3.365 1.00 54.03 H new ATOM 0 HB2 ASN A 81 12.176 5.719 3.481 1.00 4.42 H new ATOM 0 HB3 ASN A 81 11.655 5.573 1.814 1.00 4.42 H new ATOM 0 HD21 ASN A 81 14.770 6.638 0.519 1.00 0.34 H new ATOM 0 HD22 ASN A 81 13.277 5.716 0.317 1.00 0.34 H new ATOM 1182 N THR A 82 9.524 7.822 0.827 1.00 53.13 N ATOM 1183 CA THR A 82 9.233 8.216 -0.558 1.00 60.14 C ATOM 1184 C THR A 82 8.903 9.711 -0.610 1.00 43.33 C ATOM 1185 O THR A 82 8.774 10.387 0.429 1.00 42.12 O ATOM 1186 CB THR A 82 8.110 7.418 -1.224 1.00 55.32 C ATOM 1187 OG1 THR A 82 6.977 7.314 -0.367 1.00 23.51 O ATOM 1188 CG2 THR A 82 8.635 6.006 -1.539 1.00 40.12 C ATOM 0 H THR A 82 8.746 7.392 1.327 1.00 53.13 H new ATOM 0 HA THR A 82 10.135 7.992 -1.127 1.00 60.14 H new ATOM 0 HB THR A 82 7.804 7.932 -2.135 1.00 55.32 H new ATOM 0 HG1 THR A 82 7.251 7.482 0.559 1.00 23.51 H new ATOM 0 HG21 THR A 82 7.847 5.422 -2.015 1.00 40.12 H new ATOM 0 HG22 THR A 82 9.490 6.077 -2.212 1.00 40.12 H new ATOM 0 HG23 THR A 82 8.941 5.517 -0.614 1.00 40.12 H new ATOM 1196 N GLY A 83 8.799 10.241 -1.858 1.00 72.25 N ATOM 1197 CA GLY A 83 8.576 11.656 -2.088 1.00 1.32 C ATOM 1198 C GLY A 83 7.114 11.976 -1.950 1.00 3.23 C ATOM 1199 O GLY A 83 6.372 11.305 -1.235 1.00 13.21 O ATOM 0 H GLY A 83 8.870 9.688 -2.712 1.00 72.25 H new ATOM 0 HA2 GLY A 83 9.154 12.244 -1.375 1.00 1.32 H new ATOM 0 HA3 GLY A 83 8.924 11.930 -3.084 1.00 1.32 H new ATOM 1203 N GLN A 84 6.680 13.058 -2.633 1.00 32.42 N ATOM 1204 CA GLN A 84 5.339 13.586 -2.492 1.00 14.15 C ATOM 1205 C GLN A 84 4.432 12.756 -3.328 1.00 5.25 C ATOM 1206 O GLN A 84 3.278 12.519 -2.958 1.00 55.12 O ATOM 1207 CB GLN A 84 5.227 15.054 -2.981 1.00 12.22 C ATOM 1208 CG GLN A 84 3.812 15.650 -2.849 1.00 5.15 C ATOM 1209 CD GLN A 84 3.884 17.115 -3.235 1.00 1.31 C ATOM 1210 OE1 GLN A 84 3.848 17.457 -4.415 1.00 23.43 O ATOM 1211 NE2 GLN A 84 3.999 17.998 -2.239 1.00 5.00 N ATOM 0 H GLN A 84 7.261 13.576 -3.292 1.00 32.42 H new ATOM 0 HA GLN A 84 5.075 13.561 -1.435 1.00 14.15 H new ATOM 0 HB2 GLN A 84 5.924 15.670 -2.413 1.00 12.22 H new ATOM 0 HB3 GLN A 84 5.535 15.103 -4.025 1.00 12.22 H new ATOM 0 HG2 GLN A 84 3.113 15.119 -3.495 1.00 5.15 H new ATOM 0 HG3 GLN A 84 3.447 15.542 -1.828 1.00 5.15 H new ATOM 0 HE21 GLN A 84 4.025 17.675 -1.272 1.00 5.00 H new ATOM 0 HE22 GLN A 84 4.060 18.995 -2.446 1.00 5.00 H new ATOM 1220 N VAL A 85 4.931 12.304 -4.480 1.00 14.41 N ATOM 1221 CA VAL A 85 4.147 11.484 -5.337 1.00 0.31 C ATOM 1222 C VAL A 85 4.818 10.160 -5.303 1.00 21.04 C ATOM 1223 O VAL A 85 6.043 10.056 -5.517 1.00 41.25 O ATOM 1224 CB VAL A 85 4.068 11.978 -6.768 1.00 51.13 C ATOM 1225 CG1 VAL A 85 3.116 11.053 -7.563 1.00 52.34 C ATOM 1226 CG2 VAL A 85 3.581 13.442 -6.737 1.00 44.34 C ATOM 0 H VAL A 85 5.872 12.503 -4.819 1.00 14.41 H new ATOM 0 HA VAL A 85 3.113 11.472 -4.991 1.00 0.31 H new ATOM 0 HB VAL A 85 5.038 11.950 -7.265 1.00 51.13 H new ATOM 0 HG11 VAL A 85 3.051 11.398 -8.595 1.00 52.34 H new ATOM 0 HG12 VAL A 85 3.501 10.033 -7.545 1.00 52.34 H new ATOM 0 HG13 VAL A 85 2.125 11.075 -7.110 1.00 52.34 H new ATOM 0 HG21 VAL A 85 3.514 13.825 -7.755 1.00 44.34 H new ATOM 0 HG22 VAL A 85 2.599 13.489 -6.267 1.00 44.34 H new ATOM 0 HG23 VAL A 85 4.285 14.048 -6.167 1.00 44.34 H new ATOM 1236 N VAL A 86 4.053 9.114 -4.998 1.00 61.23 N ATOM 1237 CA VAL A 86 4.598 7.817 -4.868 1.00 61.24 C ATOM 1238 C VAL A 86 3.812 7.014 -5.832 1.00 14.04 C ATOM 1239 O VAL A 86 2.606 7.200 -5.943 1.00 42.30 O ATOM 1240 CB VAL A 86 4.384 7.231 -3.472 1.00 12.44 C ATOM 1241 CG1 VAL A 86 5.197 5.922 -3.340 1.00 31.33 C ATOM 1242 CG2 VAL A 86 4.785 8.301 -2.432 1.00 2.02 C ATOM 0 H VAL A 86 3.047 9.168 -4.840 1.00 61.23 H new ATOM 0 HA VAL A 86 5.674 7.825 -5.041 1.00 61.24 H new ATOM 0 HB VAL A 86 3.340 6.972 -3.298 1.00 12.44 H new ATOM 0 HG11 VAL A 86 5.048 5.500 -2.346 1.00 31.33 H new ATOM 0 HG12 VAL A 86 4.861 5.208 -4.092 1.00 31.33 H new ATOM 0 HG13 VAL A 86 6.256 6.135 -3.489 1.00 31.33 H new ATOM 0 HG21 VAL A 86 4.640 7.904 -1.427 1.00 2.02 H new ATOM 0 HG22 VAL A 86 5.833 8.567 -2.569 1.00 2.02 H new ATOM 0 HG23 VAL A 86 4.165 9.188 -2.565 1.00 2.02 H new ATOM 1252 N HIS A 87 4.467 6.115 -6.555 1.00 13.01 N ATOM 1253 CA HIS A 87 3.750 5.251 -7.452 1.00 22.01 C ATOM 1254 C HIS A 87 3.551 4.005 -6.690 1.00 15.54 C ATOM 1255 O HIS A 87 4.486 3.411 -6.247 1.00 1.34 O ATOM 1256 CB HIS A 87 4.489 4.925 -8.764 1.00 13.11 C ATOM 1257 CG HIS A 87 4.553 6.115 -9.680 1.00 1.43 C ATOM 1258 ND1 HIS A 87 5.344 7.207 -9.428 1.00 51.03 N ATOM 1259 CD2 HIS A 87 3.824 6.395 -10.779 1.00 44.21 C ATOM 1260 CE1 HIS A 87 5.095 8.121 -10.359 1.00 44.40 C ATOM 1261 NE2 HIS A 87 4.169 7.647 -11.186 1.00 74.23 N ATOM 0 H HIS A 87 5.477 5.974 -6.532 1.00 13.01 H new ATOM 0 HA HIS A 87 2.832 5.747 -7.767 1.00 22.01 H new ATOM 0 HB2 HIS A 87 5.500 4.586 -8.537 1.00 13.11 H new ATOM 0 HB3 HIS A 87 3.984 4.103 -9.271 1.00 13.11 H new ATOM 0 HD1 HIS A 87 6.008 7.301 -8.659 1.00 51.03 H new ATOM 0 HD2 HIS A 87 3.100 5.746 -11.249 1.00 44.21 H new ATOM 0 HE1 HIS A 87 5.567 9.090 -10.432 1.00 44.40 H new ATOM 1270 N LEU A 88 2.320 3.638 -6.465 1.00 4.15 N ATOM 1271 CA LEU A 88 2.027 2.491 -5.672 1.00 12.23 C ATOM 1272 C LEU A 88 1.367 1.550 -6.586 1.00 64.24 C ATOM 1273 O LEU A 88 0.555 1.953 -7.428 1.00 32.43 O ATOM 1274 CB LEU A 88 1.091 2.802 -4.489 1.00 23.22 C ATOM 1275 CG LEU A 88 1.745 3.770 -3.469 1.00 51.44 C ATOM 1276 CD1 LEU A 88 0.734 4.420 -2.532 1.00 24.25 C ATOM 1277 CD2 LEU A 88 2.917 3.126 -2.711 1.00 60.41 C ATOM 0 H LEU A 88 1.501 4.126 -6.826 1.00 4.15 H new ATOM 0 HA LEU A 88 2.942 2.097 -5.230 1.00 12.23 H new ATOM 0 HB2 LEU A 88 0.167 3.241 -4.864 1.00 23.22 H new ATOM 0 HB3 LEU A 88 0.822 1.873 -3.986 1.00 23.22 H new ATOM 0 HG LEU A 88 2.169 4.581 -4.061 1.00 51.44 H new ATOM 0 HD11 LEU A 88 1.253 5.086 -1.842 1.00 24.25 H new ATOM 0 HD12 LEU A 88 0.013 4.992 -3.115 1.00 24.25 H new ATOM 0 HD13 LEU A 88 0.212 3.647 -1.967 1.00 24.25 H new ATOM 0 HD21 LEU A 88 3.338 3.847 -2.011 1.00 60.41 H new ATOM 0 HD22 LEU A 88 2.561 2.254 -2.163 1.00 60.41 H new ATOM 0 HD23 LEU A 88 3.685 2.820 -3.421 1.00 60.41 H new ATOM 1289 N LEU A 89 1.749 0.283 -6.497 1.00 10.41 N ATOM 1290 CA LEU A 89 1.223 -0.700 -7.378 1.00 20.32 C ATOM 1291 C LEU A 89 0.419 -1.593 -6.520 1.00 72.43 C ATOM 1292 O LEU A 89 0.916 -2.080 -5.487 1.00 52.12 O ATOM 1293 CB LEU A 89 2.328 -1.522 -8.078 1.00 35.51 C ATOM 1294 CG LEU A 89 1.841 -2.352 -9.278 1.00 13.55 C ATOM 1295 CD1 LEU A 89 1.133 -1.492 -10.329 1.00 21.23 C ATOM 1296 CD2 LEU A 89 2.976 -3.154 -9.902 1.00 24.01 C ATOM 0 H LEU A 89 2.423 -0.069 -5.817 1.00 10.41 H new ATOM 0 HA LEU A 89 0.648 -0.227 -8.174 1.00 20.32 H new ATOM 0 HB2 LEU A 89 3.110 -0.842 -8.416 1.00 35.51 H new ATOM 0 HB3 LEU A 89 2.782 -2.193 -7.348 1.00 35.51 H new ATOM 0 HG LEU A 89 1.106 -3.057 -8.891 1.00 13.55 H new ATOM 0 HD11 LEU A 89 0.808 -2.123 -11.156 1.00 21.23 H new ATOM 0 HD12 LEU A 89 0.266 -1.008 -9.879 1.00 21.23 H new ATOM 0 HD13 LEU A 89 1.821 -0.732 -10.701 1.00 21.23 H new ATOM 0 HD21 LEU A 89 2.595 -3.728 -10.747 1.00 24.01 H new ATOM 0 HD22 LEU A 89 3.755 -2.474 -10.247 1.00 24.01 H new ATOM 0 HD23 LEU A 89 3.392 -3.835 -9.159 1.00 24.01 H new ATOM 1308 N LEU A 90 -0.854 -1.785 -6.877 1.00 34.00 N ATOM 1309 CA LEU A 90 -1.753 -2.523 -6.039 1.00 63.13 C ATOM 1310 C LEU A 90 -2.501 -3.416 -6.947 1.00 32.12 C ATOM 1311 O LEU A 90 -2.529 -3.185 -8.156 1.00 61.12 O ATOM 1312 CB LEU A 90 -2.790 -1.640 -5.289 1.00 23.31 C ATOM 1313 CG LEU A 90 -2.152 -0.538 -4.403 1.00 40.22 C ATOM 1314 CD1 LEU A 90 -1.972 0.802 -5.146 1.00 11.40 C ATOM 1315 CD2 LEU A 90 -2.886 -0.363 -3.075 1.00 44.32 C ATOM 0 H LEU A 90 -1.267 -1.434 -7.741 1.00 34.00 H new ATOM 0 HA LEU A 90 -1.169 -3.034 -5.273 1.00 63.13 H new ATOM 0 HB2 LEU A 90 -3.448 -1.170 -6.020 1.00 23.31 H new ATOM 0 HB3 LEU A 90 -3.413 -2.280 -4.664 1.00 23.31 H new ATOM 0 HG LEU A 90 -1.148 -0.891 -4.166 1.00 40.22 H new ATOM 0 HD11 LEU A 90 -1.521 1.533 -4.474 1.00 11.40 H new ATOM 0 HD12 LEU A 90 -1.324 0.655 -6.010 1.00 11.40 H new ATOM 0 HD13 LEU A 90 -2.944 1.166 -5.480 1.00 11.40 H new ATOM 0 HD21 LEU A 90 -2.401 0.419 -2.491 1.00 44.32 H new ATOM 0 HD22 LEU A 90 -3.922 -0.084 -3.266 1.00 44.32 H new ATOM 0 HD23 LEU A 90 -2.860 -1.300 -2.518 1.00 44.32 H new ATOM 1327 N GLU A 91 -3.126 -4.475 -6.403 1.00 21.04 N ATOM 1328 CA GLU A 91 -3.961 -5.295 -7.225 1.00 64.32 C ATOM 1329 C GLU A 91 -5.167 -5.628 -6.457 1.00 63.05 C ATOM 1330 O GLU A 91 -5.197 -5.572 -5.222 1.00 23.00 O ATOM 1331 CB GLU A 91 -3.349 -6.624 -7.708 1.00 41.41 C ATOM 1332 CG GLU A 91 -3.071 -7.600 -6.619 1.00 65.22 C ATOM 1333 CD GLU A 91 -2.466 -8.862 -7.163 1.00 60.44 C ATOM 1334 OE1 GLU A 91 -3.144 -9.575 -7.918 1.00 3.10 O ATOM 1335 OE2 GLU A 91 -1.338 -9.197 -6.763 1.00 34.21 O ATOM 0 H GLU A 91 -3.058 -4.758 -5.425 1.00 21.04 H new ATOM 0 HA GLU A 91 -4.144 -4.704 -8.123 1.00 64.32 H new ATOM 0 HB2 GLU A 91 -4.027 -7.083 -8.427 1.00 41.41 H new ATOM 0 HB3 GLU A 91 -2.420 -6.412 -8.236 1.00 41.41 H new ATOM 0 HG2 GLU A 91 -2.394 -7.153 -5.891 1.00 65.22 H new ATOM 0 HG3 GLU A 91 -3.996 -7.835 -6.092 1.00 65.22 H new