USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ -177:sc= 0.193 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -74:sc= 1.39 USER MOD Set 2.1: A 80 GLN : amide:sc= -0.231 K(o=0.97,f=-2.6) USER MOD Set 2.2: A 84 THR OG1 : rot 130:sc= 1.2 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 46:sc= 0.462 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -11:sc= 1.24 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.3!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.0087) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 26.389 39.242 19.217 1.00 0.00 N ATOM 45 CA ASP A 12 27.371 39.347 18.182 1.00 0.00 C ATOM 46 C ASP A 12 28.051 38.040 17.960 1.00 0.00 C ATOM 47 O ASP A 12 28.138 37.218 18.870 1.00 0.00 O ATOM 48 CB ASP A 12 28.332 40.454 18.648 1.00 0.00 C ATOM 49 CG ASP A 12 29.222 41.035 17.560 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.730 41.286 16.427 1.00 0.00 O ATOM 51 OD2 ASP A 12 30.420 41.289 17.858 1.00 0.00 O ATOM 0 HA ASP A 12 26.936 39.601 17.215 1.00 0.00 H new ATOM 0 HB2 ASP A 12 27.746 41.262 19.086 1.00 0.00 H new ATOM 0 HB3 ASP A 12 28.966 40.054 19.439 1.00 0.00 H new ATOM 56 N THR A 13 28.528 37.759 16.734 1.00 0.00 N ATOM 57 CA THR A 13 29.132 36.512 16.385 1.00 0.00 C ATOM 58 C THR A 13 30.574 36.686 16.050 1.00 0.00 C ATOM 59 O THR A 13 30.994 37.707 15.506 1.00 0.00 O ATOM 60 CB THR A 13 28.473 35.759 15.268 1.00 0.00 C ATOM 61 OG1 THR A 13 27.922 36.609 14.274 1.00 0.00 O ATOM 62 CG2 THR A 13 27.318 34.896 15.802 1.00 0.00 C ATOM 0 H THR A 13 28.492 38.423 15.960 1.00 0.00 H new ATOM 0 HA THR A 13 29.002 35.908 17.283 1.00 0.00 H new ATOM 0 HB THR A 13 29.262 35.151 14.826 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.508 36.065 13.572 1.00 0.00 H new ATOM 0 HG21 THR A 13 26.853 34.358 14.976 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.704 34.181 16.529 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.577 35.536 16.281 1.00 0.00 H new ATOM 70 N PHE A 14 31.390 35.659 16.345 1.00 0.00 N ATOM 71 CA PHE A 14 32.790 35.672 16.056 1.00 0.00 C ATOM 72 C PHE A 14 33.234 34.283 15.749 1.00 0.00 C ATOM 73 O PHE A 14 32.732 33.303 16.296 1.00 0.00 O ATOM 74 CB PHE A 14 33.718 36.203 17.161 1.00 0.00 C ATOM 75 CG PHE A 14 33.034 36.969 18.242 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.419 36.288 19.266 1.00 0.00 C ATOM 77 CD2 PHE A 14 33.054 38.343 18.268 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.802 36.962 20.293 1.00 0.00 C ATOM 79 CE2 PHE A 14 32.441 39.029 19.291 1.00 0.00 C ATOM 80 CZ PHE A 14 31.811 38.337 20.298 1.00 0.00 C ATOM 0 H PHE A 14 31.070 34.801 16.794 1.00 0.00 H new ATOM 0 HA PHE A 14 32.881 36.367 15.222 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.243 35.360 17.610 1.00 0.00 H new ATOM 0 HB3 PHE A 14 34.473 36.843 16.704 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.421 35.208 19.263 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.554 38.887 17.481 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.315 36.417 21.088 1.00 0.00 H new ATOM 0 HE2 PHE A 14 32.455 40.109 19.303 1.00 0.00 H new ATOM 0 HZ PHE A 14 31.321 38.875 21.096 1.00 0.00 H new ATOM 90 N GLU A 15 34.256 34.156 14.884 1.00 0.00 N ATOM 91 CA GLU A 15 35.056 32.975 14.779 1.00 0.00 C ATOM 92 C GLU A 15 36.224 33.090 15.696 1.00 0.00 C ATOM 93 O GLU A 15 36.770 34.170 15.916 1.00 0.00 O ATOM 94 CB GLU A 15 35.570 32.716 13.352 1.00 0.00 C ATOM 95 CG GLU A 15 34.461 32.602 12.303 1.00 0.00 C ATOM 96 CD GLU A 15 35.049 32.310 10.930 1.00 0.00 C ATOM 97 OE1 GLU A 15 35.805 31.311 10.797 1.00 0.00 O ATOM 98 OE2 GLU A 15 34.769 33.082 9.974 1.00 0.00 O ATOM 0 H GLU A 15 34.534 34.896 14.239 1.00 0.00 H new ATOM 0 HA GLU A 15 34.417 32.135 15.051 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.244 33.524 13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.155 31.796 13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.768 31.809 12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.888 33.529 12.269 1.00 0.00 H new ATOM 105 N VAL A 16 36.653 31.960 16.287 1.00 0.00 N ATOM 106 CA VAL A 16 37.740 31.878 17.212 1.00 0.00 C ATOM 107 C VAL A 16 38.753 30.950 16.636 1.00 0.00 C ATOM 108 O VAL A 16 38.682 29.731 16.784 1.00 0.00 O ATOM 109 CB VAL A 16 37.241 31.470 18.566 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.322 30.965 19.535 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.541 32.686 19.196 1.00 0.00 C ATOM 0 H VAL A 16 36.217 31.055 16.109 1.00 0.00 H new ATOM 0 HA VAL A 16 38.217 32.846 17.363 1.00 0.00 H new ATOM 0 HB VAL A 16 36.572 30.624 18.408 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.861 30.695 20.485 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.813 30.090 19.108 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.059 31.751 19.699 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.167 32.419 20.184 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.251 33.508 19.287 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.708 32.994 18.564 1.00 0.00 H new ATOM 121 N GLU A 17 39.754 31.505 15.930 1.00 0.00 N ATOM 122 CA GLU A 17 40.902 30.800 15.449 1.00 0.00 C ATOM 123 C GLU A 17 41.960 30.879 16.495 1.00 0.00 C ATOM 124 O GLU A 17 42.684 31.863 16.641 1.00 0.00 O ATOM 125 CB GLU A 17 41.369 31.353 14.093 1.00 0.00 C ATOM 126 CG GLU A 17 40.514 30.794 12.954 1.00 0.00 C ATOM 127 CD GLU A 17 40.584 31.579 11.652 1.00 0.00 C ATOM 128 OE1 GLU A 17 41.321 32.596 11.562 1.00 0.00 O ATOM 129 OE2 GLU A 17 39.864 31.191 10.693 1.00 0.00 O ATOM 0 H GLU A 17 39.763 32.494 15.682 1.00 0.00 H new ATOM 0 HA GLU A 17 40.658 29.753 15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.308 32.441 14.099 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.415 31.093 13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.823 29.767 12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.476 30.758 13.283 1.00 0.00 H new ATOM 136 N LEU A 18 42.016 29.820 17.323 1.00 0.00 N ATOM 137 CA LEU A 18 42.701 29.787 18.577 1.00 0.00 C ATOM 138 C LEU A 18 43.686 28.669 18.607 1.00 0.00 C ATOM 139 O LEU A 18 43.409 27.553 18.170 1.00 0.00 O ATOM 140 CB LEU A 18 41.649 29.552 19.674 1.00 0.00 C ATOM 141 CG LEU A 18 42.121 29.653 21.135 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.476 31.097 21.526 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.008 29.098 22.040 1.00 0.00 C ATOM 0 H LEU A 18 41.556 28.936 17.103 1.00 0.00 H new ATOM 0 HA LEU A 18 43.236 30.724 18.730 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.843 30.272 19.529 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.221 28.560 19.525 1.00 0.00 H new ATOM 0 HG LEU A 18 43.033 29.068 21.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.804 31.122 22.565 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.277 31.461 20.883 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.598 31.732 21.407 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.322 29.160 23.082 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.099 29.683 21.899 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.813 28.057 21.781 1.00 0.00 H new ATOM 155 N ALA A 19 44.889 28.912 19.156 1.00 0.00 N ATOM 156 CA ALA A 19 45.896 27.920 19.376 1.00 0.00 C ATOM 157 C ALA A 19 45.897 27.554 20.820 1.00 0.00 C ATOM 158 O ALA A 19 45.759 28.413 21.690 1.00 0.00 O ATOM 159 CB ALA A 19 47.274 28.437 18.930 1.00 0.00 C ATOM 0 H ALA A 19 45.173 29.843 19.461 1.00 0.00 H new ATOM 0 HA ALA A 19 45.678 27.033 18.781 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.026 27.667 19.106 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.245 28.680 17.868 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.529 29.330 19.500 1.00 0.00 H new ATOM 165 N LYS A 20 46.033 26.255 21.144 1.00 0.00 N ATOM 166 CA LYS A 20 46.011 25.792 22.497 1.00 0.00 C ATOM 167 C LYS A 20 47.192 26.179 23.320 1.00 0.00 C ATOM 168 O LYS A 20 48.325 26.238 22.847 1.00 0.00 O ATOM 169 CB LYS A 20 45.940 24.257 22.555 1.00 0.00 C ATOM 170 CG LYS A 20 44.703 23.644 21.897 1.00 0.00 C ATOM 171 CD LYS A 20 44.731 22.116 21.967 1.00 0.00 C ATOM 172 CE LYS A 20 43.460 21.479 21.402 1.00 0.00 C ATOM 173 NZ LYS A 20 43.513 20.001 21.462 1.00 0.00 N ATOM 0 H LYS A 20 46.160 25.514 20.455 1.00 0.00 H new ATOM 0 HA LYS A 20 45.126 26.274 22.911 1.00 0.00 H new ATOM 0 HB2 LYS A 20 46.829 23.848 22.075 1.00 0.00 H new ATOM 0 HB3 LYS A 20 45.970 23.946 23.599 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.805 24.016 22.391 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.649 23.961 20.855 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.595 21.746 21.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.859 21.806 23.004 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.595 21.835 21.962 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.323 21.796 20.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.657 19.605 21.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.352 19.663 20.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.567 19.696 22.455 1.00 0.00 H new ATOM 187 N THR A 21 46.972 26.431 24.623 1.00 0.00 N ATOM 188 CA THR A 21 48.004 26.737 25.565 1.00 0.00 C ATOM 189 C THR A 21 48.328 25.513 26.350 1.00 0.00 C ATOM 190 O THR A 21 47.579 25.129 27.247 1.00 0.00 O ATOM 191 CB THR A 21 47.635 27.821 26.536 1.00 0.00 C ATOM 192 OG1 THR A 21 46.350 27.605 27.102 1.00 0.00 O ATOM 193 CG2 THR A 21 47.600 29.171 25.799 1.00 0.00 C ATOM 0 H THR A 21 46.040 26.421 25.036 1.00 0.00 H new ATOM 0 HA THR A 21 48.853 27.092 24.981 1.00 0.00 H new ATOM 0 HB THR A 21 48.380 27.817 27.331 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.266 26.667 27.374 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.332 29.961 26.500 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.582 29.379 25.375 1.00 0.00 H new ATOM 0 HG23 THR A 21 46.861 29.130 24.999 1.00 0.00 H new ATOM 201 N ASP A 22 49.442 24.834 26.024 1.00 0.00 N ATOM 202 CA ASP A 22 49.915 23.651 26.674 1.00 0.00 C ATOM 203 C ASP A 22 48.925 22.538 26.711 1.00 0.00 C ATOM 204 O ASP A 22 48.770 21.819 27.698 1.00 0.00 O ATOM 205 CB ASP A 22 50.506 24.003 28.049 1.00 0.00 C ATOM 206 CG ASP A 22 51.621 23.066 28.489 1.00 0.00 C ATOM 207 OD1 ASP A 22 52.297 22.470 27.607 1.00 0.00 O ATOM 208 OD2 ASP A 22 51.879 22.975 29.718 1.00 0.00 O ATOM 0 H ASP A 22 50.049 25.129 25.260 1.00 0.00 H new ATOM 0 HA ASP A 22 50.720 23.244 26.062 1.00 0.00 H new ATOM 0 HB2 ASP A 22 50.890 25.023 28.020 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.710 23.983 28.794 1.00 0.00 H new ATOM 213 N GLY A 23 48.162 22.368 25.617 1.00 0.00 N ATOM 214 CA GLY A 23 47.120 21.394 25.513 1.00 0.00 C ATOM 215 C GLY A 23 45.757 21.894 25.847 1.00 0.00 C ATOM 216 O GLY A 23 44.761 21.296 25.442 1.00 0.00 O ATOM 0 H GLY A 23 48.275 22.930 24.773 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.108 21.003 24.496 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.356 20.559 26.172 1.00 0.00 H new ATOM 220 N SER A 24 45.634 23.008 26.591 1.00 0.00 N ATOM 221 CA SER A 24 44.368 23.468 27.071 1.00 0.00 C ATOM 222 C SER A 24 43.744 24.463 26.153 1.00 0.00 C ATOM 223 O SER A 24 44.402 25.362 25.632 1.00 0.00 O ATOM 224 CB SER A 24 44.460 24.075 28.481 1.00 0.00 C ATOM 225 OG SER A 24 43.184 24.217 29.087 1.00 0.00 O ATOM 0 H SER A 24 46.422 23.596 26.863 1.00 0.00 H new ATOM 0 HA SER A 24 43.737 22.580 27.113 1.00 0.00 H new ATOM 0 HB2 SER A 24 45.089 23.442 29.107 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.944 25.050 28.424 1.00 0.00 H new ATOM 0 HG SER A 24 43.288 24.604 29.981 1.00 0.00 H new ATOM 231 N LEU A 25 42.424 24.344 25.927 1.00 0.00 N ATOM 232 CA LEU A 25 41.659 25.312 25.204 1.00 0.00 C ATOM 233 C LEU A 25 41.166 26.374 26.125 1.00 0.00 C ATOM 234 O LEU A 25 41.503 27.547 25.964 1.00 0.00 O ATOM 235 CB LEU A 25 40.469 24.680 24.462 1.00 0.00 C ATOM 236 CG LEU A 25 40.842 24.057 23.106 1.00 0.00 C ATOM 237 CD1 LEU A 25 39.709 23.158 22.585 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.169 25.142 22.067 1.00 0.00 C ATOM 0 H LEU A 25 41.873 23.552 26.257 1.00 0.00 H new ATOM 0 HA LEU A 25 42.322 25.748 24.457 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.025 23.911 25.095 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.706 25.442 24.303 1.00 0.00 H new ATOM 0 HG LEU A 25 41.732 23.447 23.261 1.00 0.00 H new ATOM 0 HD11 LEU A 25 39.997 22.729 21.625 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.523 22.356 23.299 1.00 0.00 H new ATOM 0 HD13 LEU A 25 38.803 23.750 22.461 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.429 24.671 21.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.300 25.785 21.927 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.010 25.740 22.418 1.00 0.00 H new ATOM 250 N GLY A 26 40.357 26.033 27.143 1.00 0.00 N ATOM 251 CA GLY A 26 39.908 26.956 28.138 1.00 0.00 C ATOM 252 C GLY A 26 38.440 26.891 28.377 1.00 0.00 C ATOM 253 O GLY A 26 37.909 27.735 29.096 1.00 0.00 O ATOM 0 H GLY A 26 40.004 25.086 27.278 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.431 26.756 29.073 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.176 27.968 27.833 1.00 0.00 H new ATOM 257 N ILE A 27 37.724 25.901 27.814 1.00 0.00 N ATOM 258 CA ILE A 27 36.303 25.767 27.898 1.00 0.00 C ATOM 259 C ILE A 27 35.898 24.451 28.466 1.00 0.00 C ATOM 260 O ILE A 27 36.471 23.401 28.178 1.00 0.00 O ATOM 261 CB ILE A 27 35.657 25.917 26.553 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.439 25.224 25.425 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.476 27.419 26.278 1.00 0.00 C ATOM 264 CD1 ILE A 27 35.686 25.202 24.095 1.00 0.00 C ATOM 0 H ILE A 27 38.160 25.155 27.272 1.00 0.00 H new ATOM 0 HA ILE A 27 35.967 26.564 28.561 1.00 0.00 H new ATOM 0 HB ILE A 27 34.690 25.415 26.571 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.393 25.734 25.287 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.665 24.200 25.724 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.007 27.557 25.304 1.00 0.00 H new ATOM 0 HG22 ILE A 27 34.843 27.857 27.050 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.449 27.910 26.285 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.293 24.699 23.342 1.00 0.00 H new ATOM 0 HD12 ILE A 27 34.744 24.667 24.219 1.00 0.00 H new ATOM 0 HD13 ILE A 27 35.483 26.224 23.775 1.00 0.00 H new ATOM 276 N SER A 28 34.828 24.457 29.281 1.00 0.00 N ATOM 277 CA SER A 28 34.004 23.309 29.504 1.00 0.00 C ATOM 278 C SER A 28 32.651 23.662 28.988 1.00 0.00 C ATOM 279 O SER A 28 32.207 24.797 29.153 1.00 0.00 O ATOM 280 CB SER A 28 33.927 22.861 30.973 1.00 0.00 C ATOM 281 OG SER A 28 33.154 21.678 31.109 1.00 0.00 O ATOM 0 H SER A 28 34.527 25.283 29.799 1.00 0.00 H new ATOM 0 HA SER A 28 34.440 22.455 28.986 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.933 22.688 31.356 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.489 23.656 31.576 1.00 0.00 H new ATOM 0 HG SER A 28 33.123 21.414 32.052 1.00 0.00 H new ATOM 287 N VAL A 29 31.969 22.724 28.306 1.00 0.00 N ATOM 288 CA VAL A 29 30.716 22.940 27.650 1.00 0.00 C ATOM 289 C VAL A 29 29.600 22.206 28.308 1.00 0.00 C ATOM 290 O VAL A 29 29.794 21.397 29.214 1.00 0.00 O ATOM 291 CB VAL A 29 30.772 22.650 26.179 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.636 23.718 25.489 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.320 21.241 25.899 1.00 0.00 C ATOM 0 H VAL A 29 32.309 21.767 28.207 1.00 0.00 H new ATOM 0 HA VAL A 29 30.508 24.005 27.752 1.00 0.00 H new ATOM 0 HB VAL A 29 29.759 22.683 25.777 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.681 23.514 24.419 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.197 24.702 25.652 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.643 23.696 25.906 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.346 21.068 24.823 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.328 21.156 26.304 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.675 20.499 26.371 1.00 0.00 H new ATOM 303 N THR A 30 28.349 22.506 27.912 1.00 0.00 N ATOM 304 CA THR A 30 27.143 21.950 28.441 1.00 0.00 C ATOM 305 C THR A 30 26.106 21.934 27.371 1.00 0.00 C ATOM 306 O THR A 30 26.356 22.361 26.245 1.00 0.00 O ATOM 307 CB THR A 30 26.656 22.704 29.643 1.00 0.00 C ATOM 308 OG1 THR A 30 25.697 21.987 30.407 1.00 0.00 O ATOM 309 CG2 THR A 30 26.089 24.097 29.319 1.00 0.00 C ATOM 0 H THR A 30 28.170 23.184 27.171 1.00 0.00 H new ATOM 0 HA THR A 30 27.347 20.932 28.773 1.00 0.00 H new ATOM 0 HB THR A 30 27.560 22.832 30.239 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.420 22.528 31.176 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.758 24.578 30.239 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.863 24.705 28.850 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.244 23.996 28.638 1.00 0.00 H new ATOM 317 N GLY A 31 24.882 21.460 27.668 1.00 0.00 N ATOM 318 CA GLY A 31 23.781 21.441 26.756 1.00 0.00 C ATOM 319 C GLY A 31 23.602 20.108 26.113 1.00 0.00 C ATOM 320 O GLY A 31 23.793 19.060 26.728 1.00 0.00 O ATOM 0 H GLY A 31 24.650 21.074 28.583 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.868 21.712 27.286 1.00 0.00 H new ATOM 0 HA3 GLY A 31 23.937 22.196 25.985 1.00 0.00 H new ATOM 324 N GLY A 32 23.192 20.112 24.832 1.00 0.00 N ATOM 325 CA GLY A 32 22.966 18.939 24.045 1.00 0.00 C ATOM 326 C GLY A 32 21.521 18.681 23.789 1.00 0.00 C ATOM 327 O GLY A 32 20.651 19.014 24.592 1.00 0.00 O ATOM 0 H GLY A 32 23.009 20.975 24.320 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.486 19.041 23.092 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.399 18.078 24.554 1.00 0.00 H new ATOM 331 N VAL A 33 21.199 18.051 22.646 1.00 0.00 N ATOM 332 CA VAL A 33 19.860 17.823 22.200 1.00 0.00 C ATOM 333 C VAL A 33 19.089 16.839 23.009 1.00 0.00 C ATOM 334 O VAL A 33 17.872 16.944 23.163 1.00 0.00 O ATOM 335 CB VAL A 33 19.852 17.480 20.740 1.00 0.00 C ATOM 336 CG1 VAL A 33 20.395 16.068 20.459 1.00 0.00 C ATOM 337 CG2 VAL A 33 18.447 17.661 20.142 1.00 0.00 C ATOM 0 H VAL A 33 21.902 17.685 22.005 1.00 0.00 H new ATOM 0 HA VAL A 33 19.328 18.762 22.352 1.00 0.00 H new ATOM 0 HB VAL A 33 20.530 18.178 20.249 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.366 15.874 19.387 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.423 15.997 20.813 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.781 15.332 20.978 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.467 17.406 19.082 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.744 17.007 20.659 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.132 18.698 20.260 1.00 0.00 H new ATOM 450 N GLY A 41 21.162 22.655 21.910 1.00 0.00 N ATOM 451 CA GLY A 41 22.373 23.248 21.434 1.00 0.00 C ATOM 452 C GLY A 41 23.422 23.076 22.477 1.00 0.00 C ATOM 453 O GLY A 41 23.124 22.675 23.600 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.685 22.778 20.501 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.219 24.306 21.222 1.00 0.00 H new ATOM 457 N ILE A 42 24.690 23.357 22.125 1.00 0.00 N ATOM 458 CA ILE A 42 25.818 23.280 23.000 1.00 0.00 C ATOM 459 C ILE A 42 26.143 24.656 23.471 1.00 0.00 C ATOM 460 O ILE A 42 26.104 25.612 22.697 1.00 0.00 O ATOM 461 CB ILE A 42 26.986 22.648 22.302 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.602 21.319 21.631 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.178 22.444 23.252 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.034 20.258 22.573 1.00 0.00 C ATOM 0 H ILE A 42 24.940 23.653 21.181 1.00 0.00 H new ATOM 0 HA ILE A 42 25.584 22.652 23.860 1.00 0.00 H new ATOM 0 HB ILE A 42 27.292 23.344 21.521 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.867 21.522 20.852 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.484 20.910 21.138 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.003 21.984 22.707 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.497 23.408 23.647 1.00 0.00 H new ATOM 0 HG23 ILE A 42 27.880 21.795 24.075 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.794 19.359 22.006 1.00 0.00 H new ATOM 0 HD12 ILE A 42 26.772 20.018 23.338 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.130 20.639 23.048 1.00 0.00 H new ATOM 476 N TYR A 43 26.435 24.824 24.773 1.00 0.00 N ATOM 477 CA TYR A 43 26.668 26.102 25.368 1.00 0.00 C ATOM 478 C TYR A 43 27.886 26.021 26.222 1.00 0.00 C ATOM 479 O TYR A 43 28.283 24.937 26.648 1.00 0.00 O ATOM 480 CB TYR A 43 25.483 26.566 26.232 1.00 0.00 C ATOM 481 CG TYR A 43 24.249 26.747 25.415 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.966 27.958 24.828 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.378 25.700 25.231 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.841 28.121 24.056 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.258 25.848 24.446 1.00 0.00 C ATOM 486 CZ TYR A 43 21.988 27.061 23.857 1.00 0.00 C ATOM 487 OH TYR A 43 20.827 27.201 23.069 1.00 0.00 O ATOM 0 H TYR A 43 26.511 24.048 25.431 1.00 0.00 H new ATOM 0 HA TYR A 43 26.798 26.826 24.564 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.296 25.834 27.018 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.736 27.505 26.724 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.637 28.792 24.976 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.575 24.751 25.708 1.00 0.00 H new ATOM 0 HE1 TYR A 43 22.627 29.079 23.607 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.591 25.012 24.292 1.00 0.00 H new ATOM 0 HH TYR A 43 20.347 26.347 23.040 1.00 0.00 H new ATOM 497 N VAL A 44 28.565 27.145 26.514 1.00 0.00 N ATOM 498 CA VAL A 44 29.689 27.187 27.398 1.00 0.00 C ATOM 499 C VAL A 44 29.286 27.114 28.830 1.00 0.00 C ATOM 500 O VAL A 44 28.427 27.861 29.296 1.00 0.00 O ATOM 501 CB VAL A 44 30.577 28.370 27.150 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.777 28.428 28.109 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.101 28.268 25.707 1.00 0.00 C ATOM 0 H VAL A 44 28.324 28.055 26.122 1.00 0.00 H new ATOM 0 HA VAL A 44 30.273 26.294 27.174 1.00 0.00 H new ATOM 0 HB VAL A 44 29.991 29.274 27.315 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.383 29.305 27.881 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.419 28.491 29.137 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.381 27.529 27.990 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.752 29.116 25.495 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.663 27.341 25.589 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.260 28.274 25.013 1.00 0.00 H new ATOM 513 N LYS A 45 29.902 26.211 29.616 1.00 0.00 N ATOM 514 CA LYS A 45 29.610 26.016 31.003 1.00 0.00 C ATOM 515 C LYS A 45 30.507 26.806 31.892 1.00 0.00 C ATOM 516 O LYS A 45 30.041 27.475 32.814 1.00 0.00 O ATOM 517 CB LYS A 45 29.721 24.528 31.375 1.00 0.00 C ATOM 518 CG LYS A 45 28.977 24.174 32.663 1.00 0.00 C ATOM 519 CD LYS A 45 28.969 22.675 32.970 1.00 0.00 C ATOM 520 CE LYS A 45 27.901 22.311 34.003 1.00 0.00 C ATOM 521 NZ LYS A 45 27.838 20.852 34.239 1.00 0.00 N ATOM 0 H LYS A 45 30.634 25.591 29.270 1.00 0.00 H new ATOM 0 HA LYS A 45 28.589 26.366 31.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.326 23.925 30.557 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.773 24.265 31.486 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.437 24.705 33.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.949 24.527 32.588 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.790 22.117 32.051 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.949 22.375 33.340 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.115 22.822 34.942 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.929 22.666 33.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.103 20.646 34.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.609 20.366 33.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 28.758 20.517 34.590 1.00 0.00 H new ATOM 535 N ALA A 46 31.831 26.739 31.661 1.00 0.00 N ATOM 536 CA ALA A 46 32.803 27.361 32.504 1.00 0.00 C ATOM 537 C ALA A 46 34.033 27.691 31.730 1.00 0.00 C ATOM 538 O ALA A 46 34.340 27.029 30.739 1.00 0.00 O ATOM 539 CB ALA A 46 33.182 26.425 33.664 1.00 0.00 C ATOM 0 H ALA A 46 32.235 26.240 30.868 1.00 0.00 H new ATOM 0 HA ALA A 46 32.366 28.278 32.900 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.923 26.912 34.297 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.294 26.198 34.253 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.598 25.500 33.264 1.00 0.00 H new ATOM 545 N ILE A 47 34.783 28.721 32.161 1.00 0.00 N ATOM 546 CA ILE A 47 36.049 29.084 31.602 1.00 0.00 C ATOM 547 C ILE A 47 37.154 28.635 32.494 1.00 0.00 C ATOM 548 O ILE A 47 37.214 28.936 33.684 1.00 0.00 O ATOM 549 CB ILE A 47 36.095 30.516 31.156 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.601 30.636 29.708 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.926 31.455 32.045 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.648 30.109 28.636 1.00 0.00 C ATOM 0 H ILE A 47 34.496 29.326 32.930 1.00 0.00 H new ATOM 0 HA ILE A 47 36.201 28.545 30.667 1.00 0.00 H new ATOM 0 HB ILE A 47 35.059 30.844 31.237 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.811 31.685 29.500 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.546 30.100 29.626 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.895 32.465 31.636 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.515 31.459 33.054 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.959 31.108 32.075 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.099 30.240 27.652 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.456 29.050 28.809 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.709 30.660 28.681 1.00 0.00 H new ATOM 564 N ILE A 48 38.042 27.782 31.953 1.00 0.00 N ATOM 565 CA ILE A 48 39.086 27.092 32.647 1.00 0.00 C ATOM 566 C ILE A 48 40.261 27.952 32.965 1.00 0.00 C ATOM 567 O ILE A 48 40.799 28.535 32.026 1.00 0.00 O ATOM 568 CB ILE A 48 39.558 25.876 31.906 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.373 25.054 31.372 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.483 25.005 32.771 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.468 24.439 32.439 1.00 0.00 C ATOM 0 H ILE A 48 38.029 27.559 30.958 1.00 0.00 H new ATOM 0 HA ILE A 48 38.627 26.787 33.587 1.00 0.00 H new ATOM 0 HB ILE A 48 40.139 26.225 31.053 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.767 25.695 30.732 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.762 24.253 30.744 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.803 24.134 32.199 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.357 25.585 33.068 1.00 0.00 H new ATOM 0 HG23 ILE A 48 39.946 24.677 33.661 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.665 23.881 31.957 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.052 23.766 33.067 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.041 25.231 33.054 1.00 0.00 H new ATOM 583 N PRO A 49 40.761 28.052 34.161 1.00 0.00 N ATOM 584 CA PRO A 49 41.863 28.913 34.475 1.00 0.00 C ATOM 585 C PRO A 49 43.113 28.728 33.686 1.00 0.00 C ATOM 586 O PRO A 49 43.637 27.619 33.588 1.00 0.00 O ATOM 587 CB PRO A 49 42.125 28.670 35.959 1.00 0.00 C ATOM 588 CG PRO A 49 40.715 28.419 36.515 1.00 0.00 C ATOM 589 CD PRO A 49 40.071 27.623 35.368 1.00 0.00 C ATOM 0 HA PRO A 49 41.584 29.934 34.217 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.782 27.815 36.119 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.600 29.529 36.432 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.736 27.853 37.446 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.183 29.348 36.719 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.183 26.550 35.524 1.00 0.00 H new ATOM 0 HD3 PRO A 49 39.002 27.825 35.302 1.00 0.00 H new ATOM 597 N LYS A 50 43.589 29.838 33.093 1.00 0.00 N ATOM 598 CA LYS A 50 44.793 30.007 32.339 1.00 0.00 C ATOM 599 C LYS A 50 44.722 29.475 30.949 1.00 0.00 C ATOM 600 O LYS A 50 45.746 29.373 30.276 1.00 0.00 O ATOM 601 CB LYS A 50 46.064 29.549 33.073 1.00 0.00 C ATOM 602 CG LYS A 50 46.291 30.161 34.456 1.00 0.00 C ATOM 603 CD LYS A 50 46.980 31.528 34.478 1.00 0.00 C ATOM 604 CE LYS A 50 46.055 32.735 34.320 1.00 0.00 C ATOM 605 NZ LYS A 50 46.826 33.988 34.491 1.00 0.00 N ATOM 0 H LYS A 50 43.069 30.714 33.151 1.00 0.00 H new ATOM 0 HA LYS A 50 44.881 31.089 32.239 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.030 28.465 33.178 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.926 29.782 32.448 1.00 0.00 H new ATOM 0 HG2 LYS A 50 45.326 30.254 34.953 1.00 0.00 H new ATOM 0 HG3 LYS A 50 46.888 29.466 35.046 1.00 0.00 H new ATOM 0 HD2 LYS A 50 47.521 31.628 35.419 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.722 31.554 33.680 1.00 0.00 H new ATOM 0 HE2 LYS A 50 45.586 32.718 33.336 1.00 0.00 H new ATOM 0 HE3 LYS A 50 45.253 32.688 35.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 46.191 34.804 34.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 47.254 34.006 35.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 47.576 34.035 33.772 1.00 0.00 H new ATOM 619 N GLY A 51 43.524 29.154 30.427 1.00 0.00 N ATOM 620 CA GLY A 51 43.396 28.658 29.092 1.00 0.00 C ATOM 621 C GLY A 51 43.517 29.692 28.027 1.00 0.00 C ATOM 622 O GLY A 51 43.347 30.890 28.248 1.00 0.00 O ATOM 0 H GLY A 51 42.642 29.238 30.932 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.158 27.897 28.928 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.428 28.167 28.993 1.00 0.00 H new ATOM 626 N ALA A 52 43.789 29.250 26.786 1.00 0.00 N ATOM 627 CA ALA A 52 43.785 30.020 25.582 1.00 0.00 C ATOM 628 C ALA A 52 42.568 30.855 25.378 1.00 0.00 C ATOM 629 O ALA A 52 42.628 32.078 25.257 1.00 0.00 O ATOM 630 CB ALA A 52 43.997 29.065 24.395 1.00 0.00 C ATOM 0 H ALA A 52 44.031 28.274 26.613 1.00 0.00 H new ATOM 0 HA ALA A 52 44.599 30.741 25.662 1.00 0.00 H new ATOM 0 HB1 ALA A 52 43.997 29.634 23.465 1.00 0.00 H new ATOM 0 HB2 ALA A 52 44.952 28.552 24.507 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.192 28.331 24.371 1.00 0.00 H new ATOM 636 N ALA A 53 41.400 30.189 25.364 1.00 0.00 N ATOM 637 CA ALA A 53 40.080 30.714 25.199 1.00 0.00 C ATOM 638 C ALA A 53 39.695 31.631 26.309 1.00 0.00 C ATOM 639 O ALA A 53 39.222 32.740 26.070 1.00 0.00 O ATOM 640 CB ALA A 53 39.040 29.584 25.128 1.00 0.00 C ATOM 0 H ALA A 53 41.381 29.176 25.481 1.00 0.00 H new ATOM 0 HA ALA A 53 40.094 31.273 24.264 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.046 30.012 25.002 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.265 28.935 24.282 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.071 29.003 26.049 1.00 0.00 H new ATOM 646 N GLU A 54 39.924 31.165 27.549 1.00 0.00 N ATOM 647 CA GLU A 54 39.771 31.883 28.777 1.00 0.00 C ATOM 648 C GLU A 54 40.272 33.286 28.736 1.00 0.00 C ATOM 649 O GLU A 54 39.523 34.247 28.905 1.00 0.00 O ATOM 650 CB GLU A 54 40.477 31.129 29.916 1.00 0.00 C ATOM 651 CG GLU A 54 40.320 31.721 31.318 1.00 0.00 C ATOM 652 CD GLU A 54 41.502 32.456 31.933 1.00 0.00 C ATOM 653 OE1 GLU A 54 41.908 33.535 31.424 1.00 0.00 O ATOM 654 OE2 GLU A 54 42.016 32.009 32.993 1.00 0.00 O ATOM 0 H GLU A 54 40.242 30.208 27.704 1.00 0.00 H new ATOM 0 HA GLU A 54 38.696 31.944 28.950 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.103 30.105 29.933 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.541 31.076 29.684 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.477 32.411 31.294 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.048 30.909 31.992 1.00 0.00 H new ATOM 661 N SER A 55 41.594 33.396 28.514 1.00 0.00 N ATOM 662 CA SER A 55 42.329 34.620 28.593 1.00 0.00 C ATOM 663 C SER A 55 42.045 35.597 27.505 1.00 0.00 C ATOM 664 O SER A 55 42.031 36.804 27.740 1.00 0.00 O ATOM 665 CB SER A 55 43.841 34.353 28.681 1.00 0.00 C ATOM 666 OG SER A 55 44.133 33.571 29.830 1.00 0.00 O ATOM 0 H SER A 55 42.177 32.596 28.268 1.00 0.00 H new ATOM 0 HA SER A 55 41.978 35.091 29.511 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.179 33.835 27.784 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.383 35.298 28.727 1.00 0.00 H new ATOM 0 HG SER A 55 43.338 33.519 30.401 1.00 0.00 H new ATOM 672 N ASP A 56 41.786 35.102 26.281 1.00 0.00 N ATOM 673 CA ASP A 56 41.423 35.858 25.123 1.00 0.00 C ATOM 674 C ASP A 56 40.212 36.701 25.328 1.00 0.00 C ATOM 675 O ASP A 56 40.312 37.926 25.384 1.00 0.00 O ATOM 676 CB ASP A 56 41.314 34.860 23.957 1.00 0.00 C ATOM 677 CG ASP A 56 40.759 35.453 22.669 1.00 0.00 C ATOM 678 OD1 ASP A 56 41.275 36.498 22.191 1.00 0.00 O ATOM 679 OD2 ASP A 56 39.781 34.862 22.140 1.00 0.00 O ATOM 0 H ASP A 56 41.834 34.101 26.089 1.00 0.00 H new ATOM 0 HA ASP A 56 42.187 36.600 24.893 1.00 0.00 H new ATOM 0 HB2 ASP A 56 42.302 34.446 23.756 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.678 34.030 24.264 1.00 0.00 H new ATOM 684 N GLY A 57 39.023 36.092 25.478 1.00 0.00 N ATOM 685 CA GLY A 57 37.859 36.798 25.914 1.00 0.00 C ATOM 686 C GLY A 57 36.769 36.945 24.909 1.00 0.00 C ATOM 687 O GLY A 57 35.761 37.591 25.196 1.00 0.00 O ATOM 0 H GLY A 57 38.867 35.101 25.295 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.454 36.287 26.787 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.163 37.793 26.239 1.00 0.00 H new ATOM 691 N ARG A 58 36.881 36.315 23.726 1.00 0.00 N ATOM 692 CA ARG A 58 35.786 36.131 22.827 1.00 0.00 C ATOM 693 C ARG A 58 34.766 35.226 23.427 1.00 0.00 C ATOM 694 O ARG A 58 33.574 35.529 23.467 1.00 0.00 O ATOM 695 CB ARG A 58 36.227 35.485 21.502 1.00 0.00 C ATOM 696 CG ARG A 58 37.119 36.327 20.588 1.00 0.00 C ATOM 697 CD ARG A 58 36.414 37.539 19.975 1.00 0.00 C ATOM 698 NE ARG A 58 37.211 37.996 18.801 1.00 0.00 N ATOM 699 CZ ARG A 58 37.097 39.241 18.257 1.00 0.00 C ATOM 700 NH1 ARG A 58 36.354 40.213 18.864 1.00 0.00 N ATOM 701 NH2 ARG A 58 37.735 39.546 17.089 1.00 0.00 N ATOM 0 H ARG A 58 37.759 35.923 23.386 1.00 0.00 H new ATOM 0 HA ARG A 58 35.379 37.124 22.638 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.755 34.560 21.734 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.332 35.210 20.944 1.00 0.00 H new ATOM 0 HG2 ARG A 58 37.983 36.671 21.157 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.498 35.695 19.785 1.00 0.00 H new ATOM 0 HD2 ARG A 58 35.402 37.275 19.668 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.326 38.339 20.710 1.00 0.00 H new ATOM 0 HE ARG A 58 37.875 37.344 18.384 1.00 0.00 H new ATOM 0 HH11 ARG A 58 35.872 40.014 19.740 1.00 0.00 H new ATOM 0 HH12 ARG A 58 36.281 41.138 18.441 1.00 0.00 H new ATOM 0 HH21 ARG A 58 38.301 38.840 16.618 1.00 0.00 H new ATOM 0 HH22 ARG A 58 37.645 40.479 16.688 1.00 0.00 H new ATOM 715 N ILE A 59 35.231 34.072 23.939 1.00 0.00 N ATOM 716 CA ILE A 59 34.444 33.078 24.598 1.00 0.00 C ATOM 717 C ILE A 59 34.264 33.438 26.033 1.00 0.00 C ATOM 718 O ILE A 59 35.195 33.848 26.725 1.00 0.00 O ATOM 719 CB ILE A 59 35.045 31.714 24.431 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.208 31.443 22.925 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.149 30.665 25.110 1.00 0.00 C ATOM 722 CD1 ILE A 59 35.699 30.047 22.547 1.00 0.00 C ATOM 0 H ILE A 59 36.218 33.819 23.889 1.00 0.00 H new ATOM 0 HA ILE A 59 33.458 33.045 24.135 1.00 0.00 H new ATOM 0 HB ILE A 59 36.024 31.657 24.906 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.247 31.613 22.439 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.905 32.175 22.517 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.589 29.676 24.986 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.062 30.893 26.172 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.159 30.681 24.653 1.00 0.00 H new ATOM 0 HD11 ILE A 59 35.776 29.970 21.462 1.00 0.00 H new ATOM 0 HD12 ILE A 59 36.678 29.872 22.994 1.00 0.00 H new ATOM 0 HD13 ILE A 59 34.994 29.301 22.914 1.00 0.00 H new ATOM 734 N HIS A 60 33.021 33.330 26.535 1.00 0.00 N ATOM 735 CA HIS A 60 32.645 33.731 27.855 1.00 0.00 C ATOM 736 C HIS A 60 31.596 32.814 28.384 1.00 0.00 C ATOM 737 O HIS A 60 30.691 32.384 27.671 1.00 0.00 O ATOM 738 CB HIS A 60 32.091 35.166 27.844 1.00 0.00 C ATOM 739 CG HIS A 60 31.679 35.715 29.177 1.00 0.00 C ATOM 740 ND1 HIS A 60 30.420 36.222 29.428 1.00 0.00 N ATOM 741 CD2 HIS A 60 32.400 35.954 30.305 1.00 0.00 C ATOM 742 CE1 HIS A 60 30.446 36.753 30.680 1.00 0.00 C ATOM 743 NE2 HIS A 60 31.631 36.609 31.245 1.00 0.00 N ATOM 0 H HIS A 60 32.244 32.946 25.997 1.00 0.00 H new ATOM 0 HA HIS A 60 33.530 33.690 28.490 1.00 0.00 H new ATOM 0 HB2 HIS A 60 32.848 35.825 27.419 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.230 35.198 27.177 1.00 0.00 H new ATOM 0 HD2 HIS A 60 33.432 35.670 30.446 1.00 0.00 H new ATOM 0 HE1 HIS A 60 29.602 37.233 31.153 1.00 0.00 H new ATOM 0 HE2 HIS A 60 31.916 36.916 32.175 1.00 0.00 H new ATOM 751 N LYS A 61 31.654 32.494 29.689 1.00 0.00 N ATOM 752 CA LYS A 61 30.763 31.618 30.385 1.00 0.00 C ATOM 753 C LYS A 61 29.315 31.792 30.080 1.00 0.00 C ATOM 754 O LYS A 61 28.730 32.844 30.339 1.00 0.00 O ATOM 755 CB LYS A 61 30.960 31.813 31.898 1.00 0.00 C ATOM 756 CG LYS A 61 30.367 30.703 32.767 1.00 0.00 C ATOM 757 CD LYS A 61 29.652 31.204 34.024 1.00 0.00 C ATOM 758 CE LYS A 61 30.521 32.031 34.974 1.00 0.00 C ATOM 759 NZ LYS A 61 29.728 32.426 36.160 1.00 0.00 N ATOM 0 H LYS A 61 32.376 32.875 30.301 1.00 0.00 H new ATOM 0 HA LYS A 61 31.021 30.616 30.043 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.028 31.887 32.105 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.512 32.763 32.190 1.00 0.00 H new ATOM 0 HG2 LYS A 61 29.663 30.125 32.168 1.00 0.00 H new ATOM 0 HG3 LYS A 61 31.166 30.023 33.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.796 31.807 33.721 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.261 30.345 34.568 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.391 31.452 35.283 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.894 32.918 34.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.322 32.988 36.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 28.911 32.994 35.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.393 31.574 36.653 1.00 0.00 H new ATOM 773 N GLY A 62 28.664 30.772 29.492 1.00 0.00 N ATOM 774 CA GLY A 62 27.277 30.807 29.152 1.00 0.00 C ATOM 775 C GLY A 62 26.964 31.006 27.707 1.00 0.00 C ATOM 776 O GLY A 62 25.784 31.013 27.361 1.00 0.00 O ATOM 0 H GLY A 62 29.120 29.893 29.245 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.820 29.873 29.477 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.804 31.608 29.720 1.00 0.00 H new ATOM 780 N ASP A 63 27.958 31.199 26.822 1.00 0.00 N ATOM 781 CA ASP A 63 27.710 31.495 25.444 1.00 0.00 C ATOM 782 C ASP A 63 27.303 30.336 24.601 1.00 0.00 C ATOM 783 O ASP A 63 27.220 29.202 25.070 1.00 0.00 O ATOM 784 CB ASP A 63 28.809 32.373 24.822 1.00 0.00 C ATOM 785 CG ASP A 63 30.134 31.704 24.482 1.00 0.00 C ATOM 786 OD1 ASP A 63 30.146 30.616 23.846 1.00 0.00 O ATOM 787 OD2 ASP A 63 31.180 32.336 24.786 1.00 0.00 O ATOM 0 H ASP A 63 28.947 31.149 27.065 1.00 0.00 H new ATOM 0 HA ASP A 63 26.806 32.104 25.455 1.00 0.00 H new ATOM 0 HB2 ASP A 63 28.410 32.814 23.908 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.013 33.194 25.509 1.00 0.00 H new ATOM 792 N ARG A 64 26.964 30.576 23.322 1.00 0.00 N ATOM 793 CA ARG A 64 26.464 29.584 22.422 1.00 0.00 C ATOM 794 C ARG A 64 27.503 29.100 21.470 1.00 0.00 C ATOM 795 O ARG A 64 28.027 29.872 20.667 1.00 0.00 O ATOM 796 CB ARG A 64 25.285 30.130 21.601 1.00 0.00 C ATOM 797 CG ARG A 64 24.560 29.052 20.793 1.00 0.00 C ATOM 798 CD ARG A 64 23.491 29.547 19.817 1.00 0.00 C ATOM 799 NE ARG A 64 22.907 28.314 19.219 1.00 0.00 N ATOM 800 CZ ARG A 64 22.194 28.255 18.056 1.00 0.00 C ATOM 801 NH1 ARG A 64 22.073 29.317 17.207 1.00 0.00 N ATOM 802 NH2 ARG A 64 21.558 27.089 17.746 1.00 0.00 N ATOM 0 H ARG A 64 27.042 31.500 22.897 1.00 0.00 H new ATOM 0 HA ARG A 64 26.142 28.751 23.047 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.574 30.610 22.274 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.650 30.900 20.921 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.303 28.487 20.230 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.092 28.357 21.490 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.730 30.134 20.331 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.925 30.189 19.050 1.00 0.00 H new ATOM 0 HE ARG A 64 23.052 27.438 19.722 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.526 30.203 17.431 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.529 29.225 16.349 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.622 26.290 18.376 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.018 27.016 16.884 1.00 0.00 H new ATOM 816 N VAL A 65 27.791 27.787 21.468 1.00 0.00 N ATOM 817 CA VAL A 65 28.751 27.183 20.597 1.00 0.00 C ATOM 818 C VAL A 65 28.107 26.788 19.313 1.00 0.00 C ATOM 819 O VAL A 65 27.234 25.921 19.266 1.00 0.00 O ATOM 820 CB VAL A 65 29.404 25.980 21.210 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.562 25.490 20.324 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.941 26.332 22.607 1.00 0.00 C ATOM 0 H VAL A 65 27.339 27.121 22.095 1.00 0.00 H new ATOM 0 HA VAL A 65 29.524 27.930 20.417 1.00 0.00 H new ATOM 0 HB VAL A 65 28.662 25.187 21.295 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.026 24.617 20.782 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.179 25.223 19.339 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.303 26.283 20.222 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.414 25.454 23.047 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.673 27.135 22.524 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.117 26.657 23.242 1.00 0.00 H new ATOM 832 N LEU A 66 28.503 27.414 18.191 1.00 0.00 N ATOM 833 CA LEU A 66 27.908 27.170 16.914 1.00 0.00 C ATOM 834 C LEU A 66 28.662 26.131 16.159 1.00 0.00 C ATOM 835 O LEU A 66 28.065 25.236 15.562 1.00 0.00 O ATOM 836 CB LEU A 66 27.778 28.436 16.050 1.00 0.00 C ATOM 837 CG LEU A 66 26.524 29.278 16.340 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.601 30.044 17.671 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.268 30.283 15.205 1.00 0.00 C ATOM 0 H LEU A 66 29.253 28.105 18.170 1.00 0.00 H new ATOM 0 HA LEU A 66 26.900 26.814 17.125 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.661 29.057 16.202 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.770 28.145 15.000 1.00 0.00 H new ATOM 0 HG LEU A 66 25.701 28.567 16.412 1.00 0.00 H new ATOM 0 HD11 LEU A 66 25.685 30.617 17.814 1.00 0.00 H new ATOM 0 HD12 LEU A 66 26.718 29.336 18.492 1.00 0.00 H new ATOM 0 HD13 LEU A 66 27.454 30.722 17.652 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.376 30.868 15.431 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.125 30.950 15.109 1.00 0.00 H new ATOM 0 HD23 LEU A 66 26.121 29.745 14.269 1.00 0.00 H new ATOM 851 N ALA A 67 30.007 26.190 16.149 1.00 0.00 N ATOM 852 CA ALA A 67 30.776 25.279 15.359 1.00 0.00 C ATOM 853 C ALA A 67 32.101 24.998 15.979 1.00 0.00 C ATOM 854 O ALA A 67 32.734 25.877 16.562 1.00 0.00 O ATOM 855 CB ALA A 67 30.999 25.811 13.932 1.00 0.00 C ATOM 0 H ALA A 67 30.557 26.862 16.683 1.00 0.00 H new ATOM 0 HA ALA A 67 30.199 24.356 15.311 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.587 25.091 13.363 1.00 0.00 H new ATOM 0 HB2 ALA A 67 30.036 25.959 13.444 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.532 26.760 13.977 1.00 0.00 H new ATOM 861 N VAL A 68 32.557 23.738 15.873 1.00 0.00 N ATOM 862 CA VAL A 68 33.844 23.311 16.331 1.00 0.00 C ATOM 863 C VAL A 68 34.634 22.818 15.168 1.00 0.00 C ATOM 864 O VAL A 68 34.280 21.843 14.506 1.00 0.00 O ATOM 865 CB VAL A 68 33.798 22.219 17.357 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.219 21.807 17.776 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.015 22.679 18.598 1.00 0.00 C ATOM 0 H VAL A 68 32.009 22.987 15.452 1.00 0.00 H new ATOM 0 HA VAL A 68 34.300 24.180 16.806 1.00 0.00 H new ATOM 0 HB VAL A 68 33.295 21.361 16.911 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.163 21.013 18.521 1.00 0.00 H new ATOM 0 HG12 VAL A 68 35.766 21.448 16.904 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.737 22.667 18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 68 32.992 21.874 19.332 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.502 23.552 19.032 1.00 0.00 H new ATOM 0 HG23 VAL A 68 31.996 22.937 18.310 1.00 0.00 H new ATOM 877 N ASN A 69 35.764 23.485 14.877 1.00 0.00 N ATOM 878 CA ASN A 69 36.775 23.098 13.943 1.00 0.00 C ATOM 879 C ASN A 69 36.275 23.016 12.542 1.00 0.00 C ATOM 880 O ASN A 69 36.668 22.151 11.760 1.00 0.00 O ATOM 881 CB ASN A 69 37.517 21.844 14.436 1.00 0.00 C ATOM 882 CG ASN A 69 38.965 21.853 13.966 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.713 22.774 14.289 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.391 20.803 13.215 1.00 0.00 N ATOM 0 H ASN A 69 35.988 24.369 15.334 1.00 0.00 H new ATOM 0 HA ASN A 69 37.519 23.894 13.899 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.484 21.801 15.525 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.015 20.950 14.066 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.360 20.761 12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 69 38.741 20.057 12.966 1.00 0.00 H new ATOM 891 N GLY A 70 35.374 23.945 12.174 1.00 0.00 N ATOM 892 CA GLY A 70 34.697 23.973 10.915 1.00 0.00 C ATOM 893 C GLY A 70 33.298 23.466 10.983 1.00 0.00 C ATOM 894 O GLY A 70 32.424 23.917 10.244 1.00 0.00 O ATOM 0 H GLY A 70 35.105 24.715 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.687 24.996 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.258 23.375 10.196 1.00 0.00 H new ATOM 898 N VAL A 71 33.035 22.481 11.861 1.00 0.00 N ATOM 899 CA VAL A 71 31.853 21.676 11.860 1.00 0.00 C ATOM 900 C VAL A 71 30.777 22.242 12.721 1.00 0.00 C ATOM 901 O VAL A 71 30.945 22.407 13.928 1.00 0.00 O ATOM 902 CB VAL A 71 32.155 20.259 12.247 1.00 0.00 C ATOM 903 CG1 VAL A 71 30.898 19.376 12.179 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.235 19.705 11.302 1.00 0.00 C ATOM 0 H VAL A 71 33.681 22.234 12.611 1.00 0.00 H new ATOM 0 HA VAL A 71 31.479 21.679 10.836 1.00 0.00 H new ATOM 0 HB VAL A 71 32.511 20.247 13.277 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.154 18.356 12.466 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.142 19.766 12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.506 19.379 11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.463 18.674 11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 71 32.871 19.737 10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.137 20.310 11.386 1.00 0.00 H new ATOM 914 N SER A 72 29.609 22.564 12.136 1.00 0.00 N ATOM 915 CA SER A 72 28.471 23.073 12.837 1.00 0.00 C ATOM 916 C SER A 72 27.884 22.084 13.784 1.00 0.00 C ATOM 917 O SER A 72 27.616 20.940 13.423 1.00 0.00 O ATOM 918 CB SER A 72 27.329 23.493 11.896 1.00 0.00 C ATOM 919 OG SER A 72 27.786 24.399 10.904 1.00 0.00 O ATOM 0 H SER A 72 29.451 22.466 11.133 1.00 0.00 H new ATOM 0 HA SER A 72 28.864 23.935 13.375 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.905 22.610 11.418 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.530 23.956 12.475 1.00 0.00 H new ATOM 0 HG SER A 72 27.040 24.648 10.319 1.00 0.00 H new ATOM 925 N LEU A 73 27.639 22.477 15.047 1.00 0.00 N ATOM 926 CA LEU A 73 27.178 21.577 16.058 1.00 0.00 C ATOM 927 C LEU A 73 25.691 21.505 16.121 1.00 0.00 C ATOM 928 O LEU A 73 25.076 21.837 17.134 1.00 0.00 O ATOM 929 CB LEU A 73 27.685 21.957 17.459 1.00 0.00 C ATOM 930 CG LEU A 73 29.206 21.910 17.682 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.457 22.129 19.184 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.861 20.595 17.227 1.00 0.00 C ATOM 0 H LEU A 73 27.763 23.436 15.372 1.00 0.00 H new ATOM 0 HA LEU A 73 27.583 20.607 15.769 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.340 22.966 17.683 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.215 21.291 18.183 1.00 0.00 H new ATOM 0 HG LEU A 73 29.662 22.689 17.071 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.529 22.102 19.382 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.057 23.098 19.482 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.963 21.342 19.754 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.934 20.638 17.417 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.428 19.762 17.781 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.687 20.452 16.161 1.00 0.00 H new ATOM 944 N GLU A 74 25.034 21.057 15.036 1.00 0.00 N ATOM 945 CA GLU A 74 23.622 20.832 15.013 1.00 0.00 C ATOM 946 C GLU A 74 23.279 19.440 15.419 1.00 0.00 C ATOM 947 O GLU A 74 23.920 18.478 14.999 1.00 0.00 O ATOM 948 CB GLU A 74 22.996 21.105 13.635 1.00 0.00 C ATOM 949 CG GLU A 74 23.151 22.563 13.197 1.00 0.00 C ATOM 950 CD GLU A 74 22.099 22.922 12.157 1.00 0.00 C ATOM 951 OE1 GLU A 74 22.248 22.528 10.969 1.00 0.00 O ATOM 952 OE2 GLU A 74 21.101 23.591 12.532 1.00 0.00 O ATOM 0 H GLU A 74 25.497 20.846 14.152 1.00 0.00 H new ATOM 0 HA GLU A 74 23.208 21.540 15.731 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.461 20.455 12.894 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.937 20.849 13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 74 23.056 23.221 14.061 1.00 0.00 H new ATOM 0 HG3 GLU A 74 24.147 22.721 12.784 1.00 0.00 H new ATOM 959 N GLY A 75 22.251 19.270 16.269 1.00 0.00 N ATOM 960 CA GLY A 75 21.750 17.992 16.669 1.00 0.00 C ATOM 961 C GLY A 75 22.634 17.215 17.582 1.00 0.00 C ATOM 962 O GLY A 75 22.440 16.022 17.801 1.00 0.00 O ATOM 0 H GLY A 75 21.750 20.051 16.693 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.787 18.136 17.159 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.567 17.396 15.775 1.00 0.00 H new ATOM 966 N ALA A 76 23.677 17.876 18.120 1.00 0.00 N ATOM 967 CA ALA A 76 24.672 17.277 18.954 1.00 0.00 C ATOM 968 C ALA A 76 24.225 16.910 20.327 1.00 0.00 C ATOM 969 O ALA A 76 23.462 17.624 20.976 1.00 0.00 O ATOM 970 CB ALA A 76 25.918 18.177 19.021 1.00 0.00 C ATOM 0 H ALA A 76 23.832 18.872 17.966 1.00 0.00 H new ATOM 0 HA ALA A 76 24.905 16.326 18.475 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.669 17.711 19.659 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.325 18.310 18.019 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.644 19.148 19.433 1.00 0.00 H new ATOM 976 N THR A 77 24.724 15.776 20.849 1.00 0.00 N ATOM 977 CA THR A 77 24.605 15.419 22.229 1.00 0.00 C ATOM 978 C THR A 77 25.654 16.088 23.049 1.00 0.00 C ATOM 979 O THR A 77 26.577 16.725 22.544 1.00 0.00 O ATOM 980 CB THR A 77 24.618 13.946 22.511 1.00 0.00 C ATOM 981 OG1 THR A 77 25.858 13.321 22.213 1.00 0.00 O ATOM 982 CG2 THR A 77 23.532 13.247 21.676 1.00 0.00 C ATOM 0 H THR A 77 25.227 15.084 20.293 1.00 0.00 H new ATOM 0 HA THR A 77 23.613 15.772 22.511 1.00 0.00 H new ATOM 0 HB THR A 77 24.438 13.846 23.581 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.801 12.365 22.420 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.545 12.177 21.884 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.555 13.655 21.935 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.725 13.413 20.616 1.00 0.00 H new ATOM 990 N HIS A 78 25.571 15.939 24.384 1.00 0.00 N ATOM 991 CA HIS A 78 26.545 16.411 25.319 1.00 0.00 C ATOM 992 C HIS A 78 27.880 15.774 25.132 1.00 0.00 C ATOM 993 O HIS A 78 28.913 16.439 25.166 1.00 0.00 O ATOM 994 CB HIS A 78 26.022 16.157 26.743 1.00 0.00 C ATOM 995 CG HIS A 78 26.850 16.724 27.858 1.00 0.00 C ATOM 996 ND1 HIS A 78 27.827 16.020 28.532 1.00 0.00 N ATOM 997 CD2 HIS A 78 26.766 17.930 28.480 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.278 16.825 29.531 1.00 0.00 C ATOM 999 NE2 HIS A 78 27.661 17.991 29.529 1.00 0.00 N ATOM 0 H HIS A 78 24.786 15.466 24.832 1.00 0.00 H new ATOM 0 HA HIS A 78 26.690 17.478 25.149 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.016 16.569 26.818 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.937 15.080 26.891 1.00 0.00 H new ATOM 0 HD2 HIS A 78 26.095 18.726 28.194 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.045 16.545 30.238 1.00 0.00 H new ATOM 0 HE2 HIS A 78 27.813 18.772 30.167 1.00 0.00 H new ATOM 1007 N LYS A 79 27.898 14.453 24.880 1.00 0.00 N ATOM 1008 CA LYS A 79 29.041 13.685 24.492 1.00 0.00 C ATOM 1009 C LYS A 79 29.689 14.148 23.234 1.00 0.00 C ATOM 1010 O LYS A 79 30.905 14.329 23.194 1.00 0.00 O ATOM 1011 CB LYS A 79 28.644 12.201 24.424 1.00 0.00 C ATOM 1012 CG LYS A 79 29.783 11.179 24.445 1.00 0.00 C ATOM 1013 CD LYS A 79 30.409 10.902 23.078 1.00 0.00 C ATOM 1014 CE LYS A 79 31.317 9.670 23.033 1.00 0.00 C ATOM 1015 NZ LYS A 79 32.589 9.886 23.757 1.00 0.00 N ATOM 0 H LYS A 79 27.055 13.883 24.953 1.00 0.00 H new ATOM 0 HA LYS A 79 29.807 13.830 25.254 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.981 11.988 25.263 1.00 0.00 H new ATOM 0 HB3 LYS A 79 28.065 12.046 23.513 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.560 11.534 25.122 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.406 10.242 24.855 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.611 10.777 22.346 1.00 0.00 H new ATOM 0 HD3 LYS A 79 30.987 11.775 22.774 1.00 0.00 H new ATOM 0 HE2 LYS A 79 30.793 8.819 23.468 1.00 0.00 H new ATOM 0 HE3 LYS A 79 31.531 9.416 21.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 33.171 9.026 23.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 33.103 10.681 23.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 32.388 10.103 24.754 1.00 0.00 H new ATOM 1029 N GLN A 80 28.911 14.407 22.167 1.00 0.00 N ATOM 1030 CA GLN A 80 29.355 14.789 20.863 1.00 0.00 C ATOM 1031 C GLN A 80 30.215 16.007 20.839 1.00 0.00 C ATOM 1032 O GLN A 80 31.303 16.025 20.267 1.00 0.00 O ATOM 1033 CB GLN A 80 28.102 15.005 19.998 1.00 0.00 C ATOM 1034 CG GLN A 80 28.268 14.783 18.493 1.00 0.00 C ATOM 1035 CD GLN A 80 29.160 15.767 17.748 1.00 0.00 C ATOM 1036 OE1 GLN A 80 30.337 15.530 17.483 1.00 0.00 O ATOM 1037 NE2 GLN A 80 28.557 16.905 17.312 1.00 0.00 N ATOM 0 H GLN A 80 27.894 14.344 22.222 1.00 0.00 H new ATOM 0 HA GLN A 80 29.989 13.991 20.477 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.319 14.337 20.358 1.00 0.00 H new ATOM 0 HB3 GLN A 80 27.749 16.024 20.156 1.00 0.00 H new ATOM 0 HG2 GLN A 80 28.666 13.780 18.339 1.00 0.00 H new ATOM 0 HG3 GLN A 80 27.279 14.807 18.035 1.00 0.00 H new ATOM 0 HE21 GLN A 80 27.580 17.084 17.542 1.00 0.00 H new ATOM 0 HE22 GLN A 80 29.082 17.579 16.755 1.00 0.00 H new ATOM 1046 N ALA A 81 29.774 17.070 21.534 1.00 0.00 N ATOM 1047 CA ALA A 81 30.491 18.286 21.764 1.00 0.00 C ATOM 1048 C ALA A 81 31.816 18.121 22.425 1.00 0.00 C ATOM 1049 O ALA A 81 32.784 18.786 22.058 1.00 0.00 O ATOM 1050 CB ALA A 81 29.598 19.134 22.685 1.00 0.00 C ATOM 0 H ALA A 81 28.850 17.080 21.966 1.00 0.00 H new ATOM 0 HA ALA A 81 30.703 18.736 20.794 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.092 20.082 22.899 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.645 19.325 22.192 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.423 18.597 23.617 1.00 0.00 H new ATOM 1056 N VAL A 82 31.916 17.213 23.411 1.00 0.00 N ATOM 1057 CA VAL A 82 33.119 16.901 24.118 1.00 0.00 C ATOM 1058 C VAL A 82 34.089 16.200 23.231 1.00 0.00 C ATOM 1059 O VAL A 82 35.226 16.647 23.087 1.00 0.00 O ATOM 1060 CB VAL A 82 32.873 16.105 25.366 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.190 15.668 26.029 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.078 16.975 26.354 1.00 0.00 C ATOM 0 H VAL A 82 31.116 16.668 23.732 1.00 0.00 H new ATOM 0 HA VAL A 82 33.549 17.852 24.432 1.00 0.00 H new ATOM 0 HB VAL A 82 32.316 15.207 25.098 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.971 15.094 26.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.760 15.050 25.335 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.774 16.549 26.294 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.891 16.410 27.267 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.651 17.871 26.593 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.128 17.261 25.903 1.00 0.00 H new ATOM 1072 N GLU A 83 33.698 15.099 22.565 1.00 0.00 N ATOM 1073 CA GLU A 83 34.588 14.334 21.748 1.00 0.00 C ATOM 1074 C GLU A 83 35.199 15.087 20.616 1.00 0.00 C ATOM 1075 O GLU A 83 36.400 15.031 20.358 1.00 0.00 O ATOM 1076 CB GLU A 83 33.952 13.051 21.191 1.00 0.00 C ATOM 1077 CG GLU A 83 32.622 13.164 20.441 1.00 0.00 C ATOM 1078 CD GLU A 83 32.059 11.841 19.940 1.00 0.00 C ATOM 1079 OE1 GLU A 83 32.722 10.781 20.091 1.00 0.00 O ATOM 1080 OE2 GLU A 83 30.942 11.843 19.358 1.00 0.00 O ATOM 0 H GLU A 83 32.746 14.733 22.594 1.00 0.00 H new ATOM 0 HA GLU A 83 35.383 14.074 22.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 34.674 12.587 20.519 1.00 0.00 H new ATOM 0 HB3 GLU A 83 33.806 12.364 22.025 1.00 0.00 H new ATOM 0 HG2 GLU A 83 31.888 13.630 21.099 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.756 13.832 19.590 1.00 0.00 H new ATOM 1087 N THR A 84 34.347 15.870 19.929 1.00 0.00 N ATOM 1088 CA THR A 84 34.657 16.840 18.925 1.00 0.00 C ATOM 1089 C THR A 84 35.587 17.916 19.370 1.00 0.00 C ATOM 1090 O THR A 84 36.509 18.264 18.634 1.00 0.00 O ATOM 1091 CB THR A 84 33.399 17.369 18.302 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.903 16.425 17.363 1.00 0.00 O ATOM 1093 CG2 THR A 84 33.549 18.692 17.532 1.00 0.00 C ATOM 0 H THR A 84 33.342 15.816 20.096 1.00 0.00 H new ATOM 0 HA THR A 84 35.225 16.318 18.154 1.00 0.00 H new ATOM 0 HB THR A 84 32.734 17.547 19.147 1.00 0.00 H new ATOM 0 HG1 THR A 84 31.953 16.259 17.537 1.00 0.00 H new ATOM 0 HG21 THR A 84 32.583 18.986 17.122 1.00 0.00 H new ATOM 0 HG22 THR A 84 33.907 19.468 18.208 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.263 18.561 16.719 1.00 0.00 H new ATOM 1101 N LEU A 85 35.466 18.467 20.591 1.00 0.00 N ATOM 1102 CA LEU A 85 36.436 19.363 21.142 1.00 0.00 C ATOM 1103 C LEU A 85 37.737 18.714 21.469 1.00 0.00 C ATOM 1104 O LEU A 85 38.803 19.268 21.200 1.00 0.00 O ATOM 1105 CB LEU A 85 35.947 20.052 22.426 1.00 0.00 C ATOM 1106 CG LEU A 85 35.023 21.259 22.191 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.391 21.689 23.525 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.765 22.446 21.552 1.00 0.00 C ATOM 0 H LEU A 85 34.676 18.286 21.210 1.00 0.00 H new ATOM 0 HA LEU A 85 36.582 20.093 20.346 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.419 19.320 23.037 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.814 20.380 23.000 1.00 0.00 H new ATOM 0 HG LEU A 85 34.246 20.951 21.491 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.736 22.544 23.358 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.811 20.863 23.936 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.177 21.965 24.228 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.070 23.273 21.406 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.575 22.764 22.208 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.175 22.143 20.589 1.00 0.00 H new ATOM 1120 N ARG A 86 37.721 17.506 22.059 1.00 0.00 N ATOM 1121 CA ARG A 86 38.885 16.751 22.406 1.00 0.00 C ATOM 1122 C ARG A 86 39.737 16.401 21.235 1.00 0.00 C ATOM 1123 O ARG A 86 40.963 16.487 21.296 1.00 0.00 O ATOM 1124 CB ARG A 86 38.480 15.483 23.175 1.00 0.00 C ATOM 1125 CG ARG A 86 37.933 15.729 24.581 1.00 0.00 C ATOM 1126 CD ARG A 86 38.999 16.079 25.622 1.00 0.00 C ATOM 1127 NE ARG A 86 38.300 16.203 26.932 1.00 0.00 N ATOM 1128 CZ ARG A 86 37.656 17.331 27.351 1.00 0.00 C ATOM 1129 NH1 ARG A 86 37.839 18.538 26.741 1.00 0.00 N ATOM 1130 NH2 ARG A 86 36.803 17.255 28.414 1.00 0.00 N ATOM 0 H ARG A 86 36.852 17.032 22.307 1.00 0.00 H new ATOM 0 HA ARG A 86 39.494 17.392 23.043 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.726 14.950 22.596 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.348 14.828 23.248 1.00 0.00 H new ATOM 0 HG2 ARG A 86 37.205 16.539 24.538 1.00 0.00 H new ATOM 0 HG3 ARG A 86 37.399 14.838 24.911 1.00 0.00 H new ATOM 0 HD2 ARG A 86 39.766 15.305 25.665 1.00 0.00 H new ATOM 0 HD3 ARG A 86 39.501 17.011 25.362 1.00 0.00 H new ATOM 0 HE ARG A 86 38.303 15.395 27.554 1.00 0.00 H new ATOM 0 HH11 ARG A 86 38.473 18.617 25.946 1.00 0.00 H new ATOM 0 HH12 ARG A 86 37.342 19.361 27.080 1.00 0.00 H new ATOM 0 HH21 ARG A 86 36.653 16.363 28.885 1.00 0.00 H new ATOM 0 HH22 ARG A 86 36.315 18.091 28.737 1.00 0.00 H new ATOM 1144 N ASN A 87 39.134 16.049 20.085 1.00 0.00 N ATOM 1145 CA ASN A 87 39.820 15.711 18.877 1.00 0.00 C ATOM 1146 C ASN A 87 40.155 16.899 18.041 1.00 0.00 C ATOM 1147 O ASN A 87 39.930 16.929 16.832 1.00 0.00 O ATOM 1148 CB ASN A 87 38.960 14.701 18.101 1.00 0.00 C ATOM 1149 CG ASN A 87 39.771 13.876 17.112 1.00 0.00 C ATOM 1150 OD1 ASN A 87 41.000 13.842 17.129 1.00 0.00 O ATOM 1151 ND2 ASN A 87 39.059 13.155 16.203 1.00 0.00 N ATOM 0 H ASN A 87 38.119 15.998 19.994 1.00 0.00 H new ATOM 0 HA ASN A 87 40.781 15.267 19.137 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.466 14.033 18.807 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.175 15.235 17.565 1.00 0.00 H new ATOM 0 HD21 ASN A 87 39.545 12.573 15.520 1.00 0.00 H new ATOM 0 HD22 ASN A 87 38.040 13.196 16.205 1.00 0.00 H new ATOM 1158 N THR A 88 40.741 17.945 18.650 1.00 0.00 N ATOM 1159 CA THR A 88 41.260 19.114 18.011 1.00 0.00 C ATOM 1160 C THR A 88 42.749 19.074 18.026 1.00 0.00 C ATOM 1161 O THR A 88 43.349 18.374 18.840 1.00 0.00 O ATOM 1162 CB THR A 88 40.778 20.398 18.619 1.00 0.00 C ATOM 1163 OG1 THR A 88 40.918 20.406 20.032 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.290 20.604 18.289 1.00 0.00 C ATOM 0 H THR A 88 40.860 17.975 19.663 1.00 0.00 H new ATOM 0 HA THR A 88 40.886 19.100 16.987 1.00 0.00 H new ATOM 0 HB THR A 88 41.389 21.197 18.200 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.238 19.824 20.431 1.00 0.00 H new ATOM 0 HG21 THR A 88 38.945 21.538 18.733 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.160 20.646 17.208 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.710 19.774 18.692 1.00 0.00 H new ATOM 1172 N GLY A 89 43.415 19.810 17.117 1.00 0.00 N ATOM 1173 CA GLY A 89 44.837 19.807 16.971 1.00 0.00 C ATOM 1174 C GLY A 89 45.490 20.962 17.649 1.00 0.00 C ATOM 1175 O GLY A 89 45.091 21.359 18.743 1.00 0.00 O ATOM 0 H GLY A 89 42.944 20.431 16.459 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.237 18.879 17.378 1.00 0.00 H new ATOM 0 HA3 GLY A 89 45.089 19.824 15.911 1.00 0.00 H new ATOM 1179 N GLN A 90 46.531 21.552 17.034 1.00 0.00 N ATOM 1180 CA GLN A 90 47.176 22.720 17.547 1.00 0.00 C ATOM 1181 C GLN A 90 46.325 23.941 17.476 1.00 0.00 C ATOM 1182 O GLN A 90 45.951 24.518 18.496 1.00 0.00 O ATOM 1183 CB GLN A 90 48.506 23.030 16.838 1.00 0.00 C ATOM 1184 CG GLN A 90 49.603 22.000 17.112 1.00 0.00 C ATOM 1185 CD GLN A 90 50.978 22.536 16.742 1.00 0.00 C ATOM 1186 OE1 GLN A 90 51.617 22.118 15.777 1.00 0.00 O ATOM 1187 NE2 GLN A 90 51.484 23.514 17.542 1.00 0.00 N ATOM 0 H GLN A 90 46.933 21.210 16.161 1.00 0.00 H new ATOM 0 HA GLN A 90 47.366 22.474 18.592 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.331 23.084 15.764 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.856 24.013 17.154 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.590 21.726 18.167 1.00 0.00 H new ATOM 0 HG3 GLN A 90 49.401 21.092 16.544 1.00 0.00 H new ATOM 0 HE21 GLN A 90 50.944 23.851 18.339 1.00 0.00 H new ATOM 0 HE22 GLN A 90 52.403 23.909 17.345 1.00 0.00 H new ATOM 1196 N VAL A 91 46.001 24.390 16.250 1.00 0.00 N ATOM 1197 CA VAL A 91 45.135 25.504 16.019 1.00 0.00 C ATOM 1198 C VAL A 91 43.758 25.028 15.704 1.00 0.00 C ATOM 1199 O VAL A 91 43.530 24.067 14.971 1.00 0.00 O ATOM 1200 CB VAL A 91 45.673 26.468 15.002 1.00 0.00 C ATOM 1201 CG1 VAL A 91 45.759 25.863 13.591 1.00 0.00 C ATOM 1202 CG2 VAL A 91 44.862 27.774 14.999 1.00 0.00 C ATOM 0 H VAL A 91 46.353 23.964 15.393 1.00 0.00 H new ATOM 0 HA VAL A 91 45.084 26.083 16.941 1.00 0.00 H new ATOM 0 HB VAL A 91 46.696 26.697 15.300 1.00 0.00 H new ATOM 0 HG11 VAL A 91 46.155 26.607 12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 91 46.418 24.995 13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.765 25.557 13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 91 45.272 28.455 14.254 1.00 0.00 H new ATOM 0 HG22 VAL A 91 43.822 27.556 14.758 1.00 0.00 H new ATOM 0 HG23 VAL A 91 44.916 28.238 15.984 1.00 0.00 H new ATOM 1212 N VAL A 92 42.775 25.666 16.364 1.00 0.00 N ATOM 1213 CA VAL A 92 41.419 25.253 16.549 1.00 0.00 C ATOM 1214 C VAL A 92 40.518 26.331 16.052 1.00 0.00 C ATOM 1215 O VAL A 92 40.686 27.495 16.411 1.00 0.00 O ATOM 1216 CB VAL A 92 41.224 25.024 18.017 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.773 24.611 18.318 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.171 23.893 18.453 1.00 0.00 C ATOM 0 H VAL A 92 42.952 26.564 16.814 1.00 0.00 H new ATOM 0 HA VAL A 92 41.192 24.339 16.000 1.00 0.00 H new ATOM 0 HB VAL A 92 41.438 25.945 18.559 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.655 24.450 19.390 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.095 25.400 17.993 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.539 23.689 17.785 1.00 0.00 H new ATOM 0 HG21 VAL A 92 42.048 23.707 19.520 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.935 22.986 17.897 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.202 24.184 18.252 1.00 0.00 H new ATOM 1228 N HIS A 93 39.540 26.013 15.185 1.00 0.00 N ATOM 1229 CA HIS A 93 38.672 26.986 14.597 1.00 0.00 C ATOM 1230 C HIS A 93 37.283 26.909 15.129 1.00 0.00 C ATOM 1231 O HIS A 93 36.469 26.137 14.623 1.00 0.00 O ATOM 1232 CB HIS A 93 38.574 26.775 13.077 1.00 0.00 C ATOM 1233 CG HIS A 93 39.841 26.939 12.291 1.00 0.00 C ATOM 1234 ND1 HIS A 93 39.837 26.918 10.911 1.00 0.00 N ATOM 1235 CD2 HIS A 93 41.144 27.095 12.649 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.127 27.065 10.506 1.00 0.00 C ATOM 1237 NE2 HIS A 93 41.951 27.169 11.532 1.00 0.00 N ATOM 0 H HIS A 93 39.348 25.057 14.885 1.00 0.00 H new ATOM 0 HA HIS A 93 39.106 27.955 14.843 1.00 0.00 H new ATOM 0 HB2 HIS A 93 38.189 25.771 12.897 1.00 0.00 H new ATOM 0 HB3 HIS A 93 37.836 27.474 12.683 1.00 0.00 H new ATOM 0 HD2 HIS A 93 41.498 27.153 13.668 1.00 0.00 H new ATOM 0 HE1 HIS A 93 41.439 27.093 9.472 1.00 0.00 H new ATOM 0 HE2 HIS A 93 42.965 27.280 11.505 1.00 0.00 H new ATOM 1245 N LEU A 94 36.907 27.687 16.159 1.00 0.00 N ATOM 1246 CA LEU A 94 35.577 27.688 16.686 1.00 0.00 C ATOM 1247 C LEU A 94 34.735 28.771 16.102 1.00 0.00 C ATOM 1248 O LEU A 94 35.235 29.725 15.508 1.00 0.00 O ATOM 1249 CB LEU A 94 35.510 27.808 18.217 1.00 0.00 C ATOM 1250 CG LEU A 94 36.504 26.913 18.977 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.382 27.126 20.495 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.284 25.427 18.650 1.00 0.00 C ATOM 0 H LEU A 94 37.540 28.329 16.636 1.00 0.00 H new ATOM 0 HA LEU A 94 35.187 26.712 16.399 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.692 28.846 18.495 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.499 27.563 18.543 1.00 0.00 H new ATOM 0 HG LEU A 94 37.505 27.197 18.654 1.00 0.00 H new ATOM 0 HD11 LEU A 94 37.095 26.483 21.011 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.594 28.168 20.734 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.370 26.879 20.817 1.00 0.00 H new ATOM 0 HD21 LEU A 94 37.003 24.822 19.203 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.272 25.138 18.934 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.421 25.266 17.581 1.00 0.00 H new ATOM 1264 N LEU A 95 33.400 28.659 16.226 1.00 0.00 N ATOM 1265 CA LEU A 95 32.485 29.731 15.985 1.00 0.00 C ATOM 1266 C LEU A 95 31.529 29.871 17.120 1.00 0.00 C ATOM 1267 O LEU A 95 30.961 28.870 17.556 1.00 0.00 O ATOM 1268 CB LEU A 95 31.769 29.501 14.643 1.00 0.00 C ATOM 1269 CG LEU A 95 31.270 30.764 13.922 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.337 30.507 12.407 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.851 31.186 14.339 1.00 0.00 C ATOM 0 H LEU A 95 32.942 27.791 16.504 1.00 0.00 H new ATOM 0 HA LEU A 95 33.031 30.672 15.918 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.449 28.971 13.977 1.00 0.00 H new ATOM 0 HB3 LEU A 95 30.916 28.844 14.816 1.00 0.00 H new ATOM 0 HG LEU A 95 31.915 31.595 14.207 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.987 31.390 11.872 1.00 0.00 H new ATOM 0 HD12 LEU A 95 32.366 30.293 12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 95 30.705 29.656 12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 95 29.563 32.084 13.792 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.151 30.382 14.112 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.832 31.392 15.409 1.00 0.00 H new ATOM 1283 N LEU A 96 31.291 31.091 17.632 1.00 0.00 N ATOM 1284 CA LEU A 96 30.364 31.306 18.700 1.00 0.00 C ATOM 1285 C LEU A 96 29.577 32.564 18.563 1.00 0.00 C ATOM 1286 O LEU A 96 29.918 33.468 17.802 1.00 0.00 O ATOM 1287 CB LEU A 96 30.967 31.154 20.107 1.00 0.00 C ATOM 1288 CG LEU A 96 31.950 32.187 20.681 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.171 32.483 19.793 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.283 33.475 21.192 1.00 0.00 C ATOM 0 H LEU A 96 31.748 31.941 17.301 1.00 0.00 H new ATOM 0 HA LEU A 96 29.656 30.484 18.595 1.00 0.00 H new ATOM 0 HB2 LEU A 96 30.131 31.093 20.804 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.473 30.189 20.131 1.00 0.00 H new ATOM 0 HG LEU A 96 32.347 31.678 21.559 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.805 33.223 20.282 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.738 31.565 19.636 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.836 32.871 18.831 1.00 0.00 H new ATOM 0 HD21 LEU A 96 32.045 34.150 21.580 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.752 33.960 20.373 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.578 33.229 21.986 1.00 0.00 H new ATOM 1302 N GLU A 97 28.461 32.648 19.309 1.00 0.00 N ATOM 1303 CA GLU A 97 27.642 33.811 19.458 1.00 0.00 C ATOM 1304 C GLU A 97 27.750 34.261 20.874 1.00 0.00 C ATOM 1305 O GLU A 97 27.705 33.442 21.791 1.00 0.00 O ATOM 1306 CB GLU A 97 26.165 33.516 19.148 1.00 0.00 C ATOM 1307 CG GLU A 97 25.240 34.734 19.178 1.00 0.00 C ATOM 1308 CD GLU A 97 23.766 34.355 19.121 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.195 34.014 20.191 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.147 34.416 18.026 1.00 0.00 O ATOM 0 H GLU A 97 28.109 31.853 19.842 1.00 0.00 H new ATOM 0 HA GLU A 97 27.984 34.574 18.758 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.102 33.055 18.162 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.798 32.783 19.867 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.429 35.306 20.086 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.476 35.385 18.336 1.00 0.00 H new ATOM 1317 N LYS A 98 27.852 35.580 21.122 1.00 0.00 N ATOM 1318 CA LYS A 98 28.101 36.126 22.419 1.00 0.00 C ATOM 1319 C LYS A 98 26.878 36.076 23.269 1.00 0.00 C ATOM 1320 O LYS A 98 25.770 36.397 22.843 1.00 0.00 O ATOM 1321 CB LYS A 98 28.560 37.588 22.290 1.00 0.00 C ATOM 1322 CG LYS A 98 28.693 38.416 23.569 1.00 0.00 C ATOM 1323 CD LYS A 98 29.722 37.923 24.589 1.00 0.00 C ATOM 1324 CE LYS A 98 31.189 38.217 24.267 1.00 0.00 C ATOM 1325 NZ LYS A 98 31.556 39.596 24.662 1.00 0.00 N ATOM 0 H LYS A 98 27.758 36.289 20.395 1.00 0.00 H new ATOM 0 HA LYS A 98 28.880 35.527 22.890 1.00 0.00 H new ATOM 0 HB2 LYS A 98 29.528 37.591 21.789 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.859 38.101 21.632 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.949 39.438 23.290 1.00 0.00 H new ATOM 0 HG3 LYS A 98 27.719 38.453 24.056 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.487 38.370 25.555 1.00 0.00 H new ATOM 0 HD3 LYS A 98 29.605 36.845 24.699 1.00 0.00 H new ATOM 0 HE2 LYS A 98 31.829 37.504 24.787 1.00 0.00 H new ATOM 0 HE3 LYS A 98 31.364 38.082 23.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 32.556 39.768 24.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 30.960 40.275 24.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 31.410 39.715 25.685 1.00 0.00 H new