USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 66 THR OG1 : rot -24:sc= 0.513 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.237 X(o=0.28,f=0.39) USER MOD Set 2.1: A 7 THR OG1 : rot -52:sc= 0.984 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0227 (180deg=-0.323) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.00477 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.46 K(o=-1.5,f=-8.7!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -2.43 (180deg=-3.57!) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.824 (180deg=0.702) USER MOD Single : A 31 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.0506 (180deg=-0.588) USER MOD Single : A 40 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.23) USER MOD Single : A 41 GLN : amide:sc= 0.639 K(o=0.64,f=-0.068) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc=-0.00935 (180deg=-0.251) USER MOD Single : A 49 GLN : amide:sc= -0.0151 K(o=-0.015,f=-2.3) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000742 USER MOD Single : A 57 SER OG : rot 17:sc= 0.988 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.494 USER MOD Single : A 60 ASN : amide:sc= -0.802 K(o=-0.8,f=-2.2!) USER MOD Single : A 62 GLN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.086 (180deg=-0.626) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.460 27.233 2.874 1.00 0.00 N ATOM 21 CA GLN A 2 28.724 28.457 3.624 1.00 0.00 C ATOM 22 C GLN A 2 27.873 28.510 4.893 1.00 0.00 C ATOM 23 O GLN A 2 26.814 27.888 4.975 1.00 0.00 O ATOM 24 CB GLN A 2 28.410 29.669 2.747 1.00 0.00 C ATOM 25 CG GLN A 2 26.985 29.551 2.202 1.00 0.00 C ATOM 26 CD GLN A 2 26.677 30.728 1.281 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.262 31.790 1.746 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.860 30.603 -0.005 1.00 0.00 N ATOM 0 HA GLN A 2 29.775 28.469 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.514 30.587 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.122 29.729 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.872 28.614 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.273 29.528 3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 2 27.204 29.722 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.659 31.386 -0.627 1.00 0.00 H new ATOM 37 N ILE A 3 28.349 29.271 5.876 1.00 0.00 N ATOM 38 CA ILE A 3 27.636 29.420 7.144 1.00 0.00 C ATOM 39 C ILE A 3 27.769 30.844 7.677 1.00 0.00 C ATOM 40 O ILE A 3 28.786 31.501 7.475 1.00 0.00 O ATOM 41 CB ILE A 3 28.183 28.436 8.176 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.665 28.727 8.451 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.043 27.006 7.650 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.170 27.804 9.559 1.00 0.00 C ATOM 0 H ILE A 3 29.223 29.793 5.820 1.00 0.00 H new ATOM 0 HA ILE A 3 26.582 29.209 6.966 1.00 0.00 H new ATOM 0 HB ILE A 3 27.616 28.547 9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.250 28.577 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.793 29.769 8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.434 26.307 8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.991 26.788 7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.604 26.904 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.222 28.011 9.754 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.592 27.976 10.467 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.056 26.766 9.248 1.00 0.00 H new ATOM 56 N PHE A 4 26.725 31.314 8.349 1.00 0.00 N ATOM 57 CA PHE A 4 26.712 32.668 8.904 1.00 0.00 C ATOM 58 C PHE A 4 27.120 32.647 10.369 1.00 0.00 C ATOM 59 O PHE A 4 26.598 31.847 11.144 1.00 0.00 O ATOM 60 CB PHE A 4 25.307 33.259 8.787 1.00 0.00 C ATOM 61 CG PHE A 4 24.883 33.291 7.338 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.218 32.193 6.781 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.143 34.423 6.555 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.818 32.222 5.439 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.744 34.452 5.213 1.00 0.00 C ATOM 66 CZ PHE A 4 24.078 33.353 4.657 1.00 0.00 C ATOM 0 H PHE A 4 25.874 30.779 8.525 1.00 0.00 H new ATOM 0 HA PHE A 4 27.421 33.278 8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.603 32.664 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.291 34.267 9.202 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.013 31.322 7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.651 35.273 6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.309 31.372 5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.950 35.322 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.765 33.378 3.624 1.00 0.00 H new ATOM 76 N VAL A 5 28.048 33.531 10.760 1.00 0.00 N ATOM 77 CA VAL A 5 28.503 33.601 12.148 1.00 0.00 C ATOM 78 C VAL A 5 28.053 34.905 12.785 1.00 0.00 C ATOM 79 O VAL A 5 28.482 35.991 12.398 1.00 0.00 O ATOM 80 CB VAL A 5 30.030 33.486 12.212 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.527 33.856 13.618 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.422 32.040 11.915 1.00 0.00 C ATOM 0 H VAL A 5 28.494 34.203 10.135 1.00 0.00 H new ATOM 0 HA VAL A 5 28.063 32.770 12.700 1.00 0.00 H new ATOM 0 HB VAL A 5 30.477 34.163 11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.613 33.771 13.654 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.235 34.880 13.849 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.086 33.179 14.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.507 31.941 11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.969 31.381 12.655 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.071 31.765 10.921 1.00 0.00 H new ATOM 92 N LYS A 6 27.182 34.771 13.761 1.00 0.00 N ATOM 93 CA LYS A 6 26.646 35.919 14.477 1.00 0.00 C ATOM 94 C LYS A 6 27.501 36.234 15.708 1.00 0.00 C ATOM 95 O LYS A 6 27.472 35.500 16.705 1.00 0.00 O ATOM 96 CB LYS A 6 25.214 35.592 14.897 1.00 0.00 C ATOM 97 CG LYS A 6 24.422 36.870 15.161 1.00 0.00 C ATOM 98 CD LYS A 6 22.969 36.483 15.453 1.00 0.00 C ATOM 99 CE LYS A 6 22.114 37.737 15.622 1.00 0.00 C ATOM 100 NZ LYS A 6 21.985 38.429 14.310 1.00 0.00 N ATOM 0 H LYS A 6 26.824 33.872 14.083 1.00 0.00 H new ATOM 0 HA LYS A 6 26.658 36.797 13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.725 35.010 14.116 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.226 34.974 15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.847 37.413 16.005 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.472 37.533 14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.577 35.873 14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.921 35.876 16.357 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.128 37.470 16.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.569 38.404 16.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.181 39.088 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.858 38.958 14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.826 37.726 13.561 1.00 0.00 H new ATOM 114 N THR A 7 28.269 37.321 15.627 1.00 0.00 N ATOM 115 CA THR A 7 29.137 37.718 16.734 1.00 0.00 C ATOM 116 C THR A 7 28.314 38.326 17.864 1.00 0.00 C ATOM 117 O THR A 7 27.130 38.609 17.692 1.00 0.00 O ATOM 118 CB THR A 7 30.187 38.725 16.253 1.00 0.00 C ATOM 119 OG1 THR A 7 29.552 39.957 15.948 1.00 0.00 O ATOM 120 CG2 THR A 7 30.893 38.186 15.003 1.00 0.00 C ATOM 0 H THR A 7 28.308 37.936 14.815 1.00 0.00 H new ATOM 0 HA THR A 7 29.645 36.829 17.108 1.00 0.00 H new ATOM 0 HB THR A 7 30.925 38.879 17.040 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.807 39.797 15.332 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.638 38.907 14.667 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.383 37.242 15.241 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.160 38.026 14.212 1.00 0.00 H new ATOM 128 N LEU A 8 28.935 38.527 19.025 1.00 0.00 N ATOM 129 CA LEU A 8 28.218 39.102 20.161 1.00 0.00 C ATOM 130 C LEU A 8 28.047 40.612 19.992 1.00 0.00 C ATOM 131 O LEU A 8 27.083 41.192 20.490 1.00 0.00 O ATOM 132 CB LEU A 8 28.984 38.812 21.470 1.00 0.00 C ATOM 133 CG LEU A 8 27.990 38.516 22.610 1.00 0.00 C ATOM 134 CD1 LEU A 8 28.751 38.232 23.906 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.063 39.723 22.818 1.00 0.00 C ATOM 0 H LEU A 8 29.915 38.305 19.203 1.00 0.00 H new ATOM 0 HA LEU A 8 27.230 38.643 20.206 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.652 37.962 21.329 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.607 39.667 21.733 1.00 0.00 H new ATOM 0 HG LEU A 8 27.396 37.642 22.342 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.041 38.024 24.707 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.402 37.369 23.764 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.353 39.101 24.172 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.362 39.509 23.625 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.658 40.599 23.077 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.510 39.919 21.900 1.00 0.00 H new ATOM 147 N THR A 9 28.989 41.245 19.307 1.00 0.00 N ATOM 148 CA THR A 9 28.918 42.688 19.110 1.00 0.00 C ATOM 149 C THR A 9 27.767 43.044 18.178 1.00 0.00 C ATOM 150 O THR A 9 27.518 44.216 17.906 1.00 0.00 O ATOM 151 CB THR A 9 30.233 43.208 18.522 1.00 0.00 C ATOM 152 OG1 THR A 9 30.552 42.470 17.351 1.00 0.00 O ATOM 153 CG2 THR A 9 31.355 43.050 19.550 1.00 0.00 C ATOM 0 H THR A 9 29.799 40.792 18.884 1.00 0.00 H new ATOM 0 HA THR A 9 28.747 43.157 20.079 1.00 0.00 H new ATOM 0 HB THR A 9 30.124 44.262 18.268 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.393 42.803 16.973 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.289 43.421 19.129 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.110 43.619 20.447 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.466 41.997 19.808 1.00 0.00 H new ATOM 161 N GLY A 10 27.064 42.023 17.694 1.00 0.00 N ATOM 162 CA GLY A 10 25.938 42.244 16.793 1.00 0.00 C ATOM 163 C GLY A 10 26.410 42.335 15.348 1.00 0.00 C ATOM 164 O GLY A 10 25.639 42.696 14.458 1.00 0.00 O ATOM 0 H GLY A 10 27.252 41.044 17.908 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.220 41.430 16.895 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.420 43.162 17.070 1.00 0.00 H new ATOM 168 N LYS A 11 27.670 41.976 15.112 1.00 0.00 N ATOM 169 CA LYS A 11 28.222 41.986 13.760 1.00 0.00 C ATOM 170 C LYS A 11 28.019 40.621 13.120 1.00 0.00 C ATOM 171 O LYS A 11 28.142 39.593 13.787 1.00 0.00 O ATOM 172 CB LYS A 11 29.714 42.328 13.795 1.00 0.00 C ATOM 173 CG LYS A 11 29.905 43.735 14.374 1.00 0.00 C ATOM 174 CD LYS A 11 31.390 44.105 14.353 1.00 0.00 C ATOM 175 CE LYS A 11 31.582 45.493 14.969 1.00 0.00 C ATOM 176 NZ LYS A 11 33.025 45.860 14.923 1.00 0.00 N ATOM 0 H LYS A 11 28.324 41.676 15.835 1.00 0.00 H new ATOM 0 HA LYS A 11 27.706 42.745 13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.251 41.598 14.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.133 42.277 12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.332 44.458 13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.525 43.773 15.395 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.967 43.366 14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.763 44.096 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.991 46.229 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.227 45.498 16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.157 46.803 15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.578 45.162 15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.349 45.871 13.935 1.00 0.00 H new ATOM 190 N THR A 12 27.706 40.611 11.830 1.00 0.00 N ATOM 191 CA THR A 12 27.481 39.357 11.110 1.00 0.00 C ATOM 192 C THR A 12 28.536 39.163 10.028 1.00 0.00 C ATOM 193 O THR A 12 28.705 40.014 9.158 1.00 0.00 O ATOM 194 CB THR A 12 26.098 39.385 10.458 1.00 0.00 C ATOM 195 OG1 THR A 12 25.108 39.531 11.466 1.00 0.00 O ATOM 196 CG2 THR A 12 25.863 38.078 9.692 1.00 0.00 C ATOM 0 H THR A 12 27.602 41.451 11.261 1.00 0.00 H new ATOM 0 HA THR A 12 27.545 38.533 11.820 1.00 0.00 H new ATOM 0 HB THR A 12 26.039 40.223 9.764 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.220 39.551 11.052 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.877 38.100 9.228 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.625 37.967 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.920 37.236 10.382 1.00 0.00 H new ATOM 204 N ILE A 13 29.241 38.033 10.079 1.00 0.00 N ATOM 205 CA ILE A 13 30.275 37.734 9.084 1.00 0.00 C ATOM 206 C ILE A 13 30.084 36.320 8.551 1.00 0.00 C ATOM 207 O ILE A 13 29.909 35.370 9.313 1.00 0.00 O ATOM 208 CB ILE A 13 31.664 37.856 9.710 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.738 37.710 8.619 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.841 36.758 10.760 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.126 37.712 9.258 1.00 0.00 C ATOM 0 H ILE A 13 29.118 37.314 10.792 1.00 0.00 H new ATOM 0 HA ILE A 13 30.189 38.449 8.265 1.00 0.00 H new ATOM 0 HB ILE A 13 31.768 38.832 10.183 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.584 36.784 8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.656 38.527 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.830 36.841 11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.081 36.868 11.533 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.738 35.782 10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.884 37.608 8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.279 38.650 9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.206 36.879 9.957 1.00 0.00 H new ATOM 223 N THR A 14 30.076 36.196 7.233 1.00 0.00 N ATOM 224 CA THR A 14 29.869 34.901 6.591 1.00 0.00 C ATOM 225 C THR A 14 31.175 34.114 6.512 1.00 0.00 C ATOM 226 O THR A 14 32.256 34.680 6.348 1.00 0.00 O ATOM 227 CB THR A 14 29.284 35.102 5.189 1.00 0.00 C ATOM 228 OG1 THR A 14 28.210 36.030 5.265 1.00 0.00 O ATOM 229 CG2 THR A 14 28.762 33.766 4.645 1.00 0.00 C ATOM 0 H THR A 14 30.210 36.973 6.585 1.00 0.00 H new ATOM 0 HA THR A 14 29.165 34.326 7.193 1.00 0.00 H new ATOM 0 HB THR A 14 30.059 35.481 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.411 35.578 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.348 33.916 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.581 33.049 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.986 33.382 5.307 1.00 0.00 H new ATOM 237 N LEU A 15 31.045 32.798 6.653 1.00 0.00 N ATOM 238 CA LEU A 15 32.186 31.884 6.630 1.00 0.00 C ATOM 239 C LEU A 15 32.035 30.855 5.506 1.00 0.00 C ATOM 240 O LEU A 15 30.992 30.214 5.373 1.00 0.00 O ATOM 241 CB LEU A 15 32.254 31.157 8.000 1.00 0.00 C ATOM 242 CG LEU A 15 33.674 31.183 8.582 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.953 32.556 9.201 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.794 30.108 9.669 1.00 0.00 C ATOM 0 H LEU A 15 30.147 32.334 6.786 1.00 0.00 H new ATOM 0 HA LEU A 15 33.101 32.448 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.565 31.631 8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.927 30.124 7.881 1.00 0.00 H new ATOM 0 HG LEU A 15 34.394 30.990 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.962 32.571 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.863 33.326 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.233 32.750 9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.801 30.123 10.086 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.071 30.308 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.595 29.128 9.235 1.00 0.00 H new ATOM 256 N GLU A 16 33.095 30.680 4.726 1.00 0.00 N ATOM 257 CA GLU A 16 33.089 29.693 3.645 1.00 0.00 C ATOM 258 C GLU A 16 33.815 28.444 4.129 1.00 0.00 C ATOM 259 O GLU A 16 34.974 28.519 4.537 1.00 0.00 O ATOM 260 CB GLU A 16 33.787 30.251 2.403 1.00 0.00 C ATOM 261 CG GLU A 16 33.548 29.309 1.218 1.00 0.00 C ATOM 262 CD GLU A 16 34.282 29.827 -0.014 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.451 30.153 0.112 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.665 29.890 -1.063 1.00 0.00 O ATOM 0 H GLU A 16 33.966 31.203 4.818 1.00 0.00 H new ATOM 0 HA GLU A 16 32.060 29.452 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.405 31.246 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.856 30.355 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 16 33.896 28.306 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.480 29.234 1.011 1.00 0.00 H new ATOM 271 N VAL A 17 33.142 27.297 4.081 1.00 0.00 N ATOM 272 CA VAL A 17 33.756 26.044 4.531 1.00 0.00 C ATOM 273 C VAL A 17 33.133 24.847 3.821 1.00 0.00 C ATOM 274 O VAL A 17 32.174 24.974 3.064 1.00 0.00 O ATOM 275 CB VAL A 17 33.594 25.899 6.063 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.110 25.902 6.446 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.227 24.602 6.569 1.00 0.00 C ATOM 0 H VAL A 17 32.185 27.206 3.741 1.00 0.00 H new ATOM 0 HA VAL A 17 34.817 26.071 4.283 1.00 0.00 H new ATOM 0 HB VAL A 17 34.101 26.747 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.013 25.799 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.654 26.840 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.606 25.069 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.096 24.530 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.746 23.750 6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.291 24.600 6.332 1.00 0.00 H new ATOM 287 N GLU A 18 33.688 23.684 4.103 1.00 0.00 N ATOM 288 CA GLU A 18 33.200 22.424 3.535 1.00 0.00 C ATOM 289 C GLU A 18 32.222 21.770 4.521 1.00 0.00 C ATOM 290 O GLU A 18 32.468 21.792 5.726 1.00 0.00 O ATOM 291 CB GLU A 18 34.372 21.474 3.274 1.00 0.00 C ATOM 292 CG GLU A 18 35.481 22.229 2.537 1.00 0.00 C ATOM 293 CD GLU A 18 36.598 21.266 2.152 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.374 20.453 1.270 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.661 21.355 2.744 1.00 0.00 O ATOM 0 H GLU A 18 34.487 23.577 4.728 1.00 0.00 H new ATOM 0 HA GLU A 18 32.694 22.629 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.750 21.078 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.040 20.622 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.077 22.706 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.876 23.023 3.171 1.00 0.00 H new ATOM 302 N PRO A 19 31.128 21.203 4.065 1.00 0.00 N ATOM 303 CA PRO A 19 30.135 20.571 4.986 1.00 0.00 C ATOM 304 C PRO A 19 30.682 19.302 5.639 1.00 0.00 C ATOM 305 O PRO A 19 30.006 18.674 6.453 1.00 0.00 O ATOM 306 CB PRO A 19 28.933 20.268 4.080 1.00 0.00 C ATOM 307 CG PRO A 19 29.511 20.135 2.707 1.00 0.00 C ATOM 308 CD PRO A 19 30.711 21.085 2.654 1.00 0.00 C ATOM 0 HA PRO A 19 29.878 21.221 5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.428 19.352 4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.195 21.069 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.819 19.108 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.774 20.396 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.512 20.684 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.437 22.053 2.235 1.00 0.00 H new ATOM 316 N SER A 20 31.906 18.930 5.280 1.00 0.00 N ATOM 317 CA SER A 20 32.538 17.734 5.840 1.00 0.00 C ATOM 318 C SER A 20 33.605 18.126 6.857 1.00 0.00 C ATOM 319 O SER A 20 33.975 17.328 7.718 1.00 0.00 O ATOM 320 CB SER A 20 33.160 16.904 4.716 1.00 0.00 C ATOM 321 OG SER A 20 34.286 17.592 4.189 1.00 0.00 O ATOM 0 H SER A 20 32.481 19.435 4.606 1.00 0.00 H new ATOM 0 HA SER A 20 31.780 17.137 6.347 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.461 15.927 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.426 16.729 3.929 1.00 0.00 H new ATOM 0 HG SER A 20 34.687 17.061 3.470 1.00 0.00 H new ATOM 327 N ASP A 21 34.117 19.347 6.734 1.00 0.00 N ATOM 328 CA ASP A 21 35.151 19.826 7.632 1.00 0.00 C ATOM 329 C ASP A 21 34.724 19.628 9.079 1.00 0.00 C ATOM 330 O ASP A 21 33.530 19.611 9.390 1.00 0.00 O ATOM 331 CB ASP A 21 35.403 21.314 7.363 1.00 0.00 C ATOM 332 CG ASP A 21 36.357 21.493 6.182 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.232 20.660 6.015 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.199 22.462 5.460 1.00 0.00 O ATOM 0 H ASP A 21 33.830 20.018 6.021 1.00 0.00 H new ATOM 0 HA ASP A 21 36.067 19.262 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.459 21.816 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.824 21.784 8.252 1.00 0.00 H new ATOM 339 N THR A 22 35.707 19.478 9.961 1.00 0.00 N ATOM 340 CA THR A 22 35.423 19.288 11.375 1.00 0.00 C ATOM 341 C THR A 22 35.188 20.634 12.054 1.00 0.00 C ATOM 342 O THR A 22 35.320 21.697 11.438 1.00 0.00 O ATOM 343 CB THR A 22 36.584 18.559 12.054 1.00 0.00 C ATOM 344 OG1 THR A 22 37.761 19.345 11.947 1.00 0.00 O ATOM 345 CG2 THR A 22 36.806 17.207 11.375 1.00 0.00 C ATOM 0 H THR A 22 36.699 19.484 9.722 1.00 0.00 H new ATOM 0 HA THR A 22 34.521 18.683 11.469 1.00 0.00 H new ATOM 0 HB THR A 22 36.349 18.399 13.106 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.505 18.880 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.633 16.688 11.859 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.901 16.605 11.459 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.042 17.363 10.322 1.00 0.00 H new ATOM 353 N ILE A 23 34.867 20.587 13.337 1.00 0.00 N ATOM 354 CA ILE A 23 34.650 21.820 14.083 1.00 0.00 C ATOM 355 C ILE A 23 35.988 22.513 14.323 1.00 0.00 C ATOM 356 O ILE A 23 36.111 23.723 14.139 1.00 0.00 O ATOM 357 CB ILE A 23 33.952 21.524 15.414 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.822 20.512 15.186 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.360 22.812 15.990 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.962 20.936 13.988 1.00 0.00 C ATOM 0 H ILE A 23 34.752 19.729 13.876 1.00 0.00 H new ATOM 0 HA ILE A 23 34.006 22.481 13.502 1.00 0.00 H new ATOM 0 HB ILE A 23 34.681 21.115 16.114 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.242 19.522 15.009 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.203 20.441 16.080 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.865 22.594 16.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.157 23.536 16.156 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.635 23.225 15.288 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.164 20.209 13.838 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.528 21.917 14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.583 20.984 13.093 1.00 0.00 H new ATOM 372 N GLU A 24 37.000 21.735 14.701 1.00 0.00 N ATOM 373 CA GLU A 24 38.329 22.293 14.929 1.00 0.00 C ATOM 374 C GLU A 24 38.699 23.225 13.783 1.00 0.00 C ATOM 375 O GLU A 24 39.466 24.172 13.953 1.00 0.00 O ATOM 376 CB GLU A 24 39.365 21.172 15.025 1.00 0.00 C ATOM 377 CG GLU A 24 38.864 20.088 15.982 1.00 0.00 C ATOM 378 CD GLU A 24 38.528 20.703 17.336 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.304 21.523 17.802 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.499 20.348 17.887 1.00 0.00 O ATOM 0 H GLU A 24 36.927 20.729 14.854 1.00 0.00 H new ATOM 0 HA GLU A 24 38.318 22.850 15.866 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.545 20.745 14.039 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.316 21.571 15.378 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.982 19.602 15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.625 19.317 16.102 1.00 0.00 H new ATOM 387 N ASN A 25 38.117 22.963 12.618 1.00 0.00 N ATOM 388 CA ASN A 25 38.369 23.800 11.451 1.00 0.00 C ATOM 389 C ASN A 25 37.597 25.103 11.586 1.00 0.00 C ATOM 390 O ASN A 25 38.187 26.182 11.648 1.00 0.00 O ATOM 391 CB ASN A 25 37.946 23.082 10.168 1.00 0.00 C ATOM 392 CG ASN A 25 38.331 23.922 8.953 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.942 25.087 8.852 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.077 23.399 8.019 1.00 0.00 N ATOM 0 H ASN A 25 37.475 22.187 12.457 1.00 0.00 H new ATOM 0 HA ASN A 25 39.437 24.008 11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.426 22.105 10.112 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.870 22.909 10.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.339 23.954 7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.399 22.435 8.103 1.00 0.00 H new ATOM 401 N VAL A 26 36.270 24.996 11.626 1.00 0.00 N ATOM 402 CA VAL A 26 35.425 26.182 11.754 1.00 0.00 C ATOM 403 C VAL A 26 35.966 27.105 12.833 1.00 0.00 C ATOM 404 O VAL A 26 35.789 28.322 12.779 1.00 0.00 O ATOM 405 CB VAL A 26 34.001 25.765 12.106 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.117 27.004 12.250 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.467 24.887 10.993 1.00 0.00 C ATOM 0 H VAL A 26 35.762 24.113 11.572 1.00 0.00 H new ATOM 0 HA VAL A 26 35.425 26.714 10.803 1.00 0.00 H new ATOM 0 HB VAL A 26 33.998 25.219 13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.101 26.699 12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.511 27.642 13.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.108 27.556 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.448 24.580 11.229 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.470 25.445 10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.098 24.004 10.891 1.00 0.00 H new ATOM 417 N LYS A 27 36.646 26.509 13.797 1.00 0.00 N ATOM 418 CA LYS A 27 37.236 27.271 14.883 1.00 0.00 C ATOM 419 C LYS A 27 38.455 28.015 14.374 1.00 0.00 C ATOM 420 O LYS A 27 38.598 29.216 14.584 1.00 0.00 O ATOM 421 CB LYS A 27 37.644 26.328 16.021 1.00 0.00 C ATOM 422 CG LYS A 27 36.392 25.736 16.680 1.00 0.00 C ATOM 423 CD LYS A 27 36.731 25.240 18.089 1.00 0.00 C ATOM 424 CE LYS A 27 35.557 24.423 18.637 1.00 0.00 C ATOM 425 NZ LYS A 27 35.545 23.079 17.995 1.00 0.00 N ATOM 0 H LYS A 27 36.803 25.503 13.850 1.00 0.00 H new ATOM 0 HA LYS A 27 36.505 27.986 15.259 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.275 25.528 15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.234 26.870 16.761 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.606 26.489 16.729 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.008 24.913 16.078 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.633 24.629 18.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.937 26.086 18.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.645 24.320 19.719 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.618 24.940 18.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.620 22.629 18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.714 23.180 16.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.292 22.488 18.413 1.00 0.00 H new ATOM 439 N ALA A 28 39.329 27.283 13.702 1.00 0.00 N ATOM 440 CA ALA A 28 40.542 27.865 13.159 1.00 0.00 C ATOM 441 C ALA A 28 40.214 29.088 12.304 1.00 0.00 C ATOM 442 O ALA A 28 40.960 30.065 12.297 1.00 0.00 O ATOM 443 CB ALA A 28 41.261 26.820 12.308 1.00 0.00 C ATOM 0 H ALA A 28 39.220 26.285 13.520 1.00 0.00 H new ATOM 0 HA ALA A 28 41.184 28.180 13.981 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.174 27.251 11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.513 25.958 12.926 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.610 26.504 11.493 1.00 0.00 H new ATOM 449 N LYS A 29 39.084 29.033 11.603 1.00 0.00 N ATOM 450 CA LYS A 29 38.669 30.158 10.773 1.00 0.00 C ATOM 451 C LYS A 29 38.312 31.354 11.658 1.00 0.00 C ATOM 452 O LYS A 29 38.969 32.393 11.604 1.00 0.00 O ATOM 453 CB LYS A 29 37.472 29.762 9.903 1.00 0.00 C ATOM 454 CG LYS A 29 37.966 28.968 8.683 1.00 0.00 C ATOM 455 CD LYS A 29 36.825 28.133 8.115 1.00 0.00 C ATOM 456 CE LYS A 29 37.346 27.269 6.962 1.00 0.00 C ATOM 457 NZ LYS A 29 37.553 28.121 5.758 1.00 0.00 N ATOM 0 H LYS A 29 38.449 28.235 11.593 1.00 0.00 H new ATOM 0 HA LYS A 29 39.494 30.439 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.771 29.161 10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.935 30.653 9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.343 29.651 7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.795 28.321 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.401 27.500 8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.025 28.784 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.283 26.790 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.635 26.473 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.106 27.595 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.631 28.380 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.067 28.984 6.028 1.00 0.00 H new ATOM 471 N ILE A 30 37.263 31.200 12.460 1.00 0.00 N ATOM 472 CA ILE A 30 36.815 32.261 13.342 1.00 0.00 C ATOM 473 C ILE A 30 37.976 32.798 14.188 1.00 0.00 C ATOM 474 O ILE A 30 38.093 34.006 14.389 1.00 0.00 O ATOM 475 CB ILE A 30 35.701 31.710 14.241 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.419 31.535 13.420 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.432 32.677 15.392 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.427 30.669 14.199 1.00 0.00 C ATOM 0 H ILE A 30 36.708 30.346 12.514 1.00 0.00 H new ATOM 0 HA ILE A 30 36.434 33.092 12.748 1.00 0.00 H new ATOM 0 HB ILE A 30 36.015 30.747 14.645 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.977 32.508 13.204 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.649 31.070 12.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.640 32.278 16.025 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.340 32.802 15.982 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.124 33.643 14.991 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.515 30.545 13.615 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.870 29.692 14.392 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.188 31.152 15.146 1.00 0.00 H new ATOM 490 N GLN A 31 38.821 31.900 14.686 1.00 0.00 N ATOM 491 CA GLN A 31 39.953 32.312 15.510 1.00 0.00 C ATOM 492 C GLN A 31 40.840 33.283 14.738 1.00 0.00 C ATOM 493 O GLN A 31 41.047 34.423 15.150 1.00 0.00 O ATOM 494 CB GLN A 31 40.774 31.088 15.928 1.00 0.00 C ATOM 495 CG GLN A 31 42.008 31.540 16.713 1.00 0.00 C ATOM 496 CD GLN A 31 42.704 30.337 17.336 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.542 30.495 18.224 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.405 29.134 16.927 1.00 0.00 N ATOM 0 H GLN A 31 38.746 30.894 14.536 1.00 0.00 H new ATOM 0 HA GLN A 31 39.571 32.809 16.402 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.166 30.421 16.539 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.078 30.523 15.047 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.697 32.066 16.051 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.715 32.244 17.492 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.711 29.003 16.191 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.866 28.325 17.343 1.00 0.00 H new ATOM 507 N ASP A 32 41.376 32.801 13.632 1.00 0.00 N ATOM 508 CA ASP A 32 42.266 33.611 12.808 1.00 0.00 C ATOM 509 C ASP A 32 41.677 35.001 12.540 1.00 0.00 C ATOM 510 O ASP A 32 42.417 35.980 12.443 1.00 0.00 O ATOM 511 CB ASP A 32 42.536 32.899 11.479 1.00 0.00 C ATOM 512 CG ASP A 32 43.382 31.653 11.720 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.881 31.503 12.822 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.519 30.866 10.796 1.00 0.00 O ATOM 0 H ASP A 32 41.214 31.857 13.281 1.00 0.00 H new ATOM 0 HA ASP A 32 43.201 33.741 13.354 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.593 32.623 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.051 33.572 10.794 1.00 0.00 H new ATOM 519 N LYS A 33 40.353 35.089 12.395 1.00 0.00 N ATOM 520 CA LYS A 33 39.709 36.376 12.107 1.00 0.00 C ATOM 521 C LYS A 33 39.470 37.236 13.357 1.00 0.00 C ATOM 522 O LYS A 33 39.671 38.450 13.315 1.00 0.00 O ATOM 523 CB LYS A 33 38.369 36.150 11.413 1.00 0.00 C ATOM 524 CG LYS A 33 38.559 35.297 10.158 1.00 0.00 C ATOM 525 CD LYS A 33 37.186 34.894 9.610 1.00 0.00 C ATOM 526 CE LYS A 33 37.350 34.204 8.254 1.00 0.00 C ATOM 527 NZ LYS A 33 37.859 35.183 7.254 1.00 0.00 N ATOM 0 H LYS A 33 39.713 34.299 12.470 1.00 0.00 H new ATOM 0 HA LYS A 33 40.401 36.917 11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.677 35.656 12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.924 37.108 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.115 35.856 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.145 34.409 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.687 34.225 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.553 35.775 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.042 33.366 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.395 33.796 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.610 34.862 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.430 36.114 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.893 35.258 7.337 1.00 0.00 H new ATOM 541 N GLU A 34 38.992 36.628 14.451 1.00 0.00 N ATOM 542 CA GLU A 34 38.678 37.393 15.673 1.00 0.00 C ATOM 543 C GLU A 34 39.695 37.180 16.796 1.00 0.00 C ATOM 544 O GLU A 34 39.522 37.710 17.893 1.00 0.00 O ATOM 545 CB GLU A 34 37.288 37.000 16.182 1.00 0.00 C ATOM 546 CG GLU A 34 36.233 37.332 15.125 1.00 0.00 C ATOM 547 CD GLU A 34 36.068 38.843 15.007 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.607 39.546 15.846 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.404 39.277 14.080 1.00 0.00 O ATOM 0 H GLU A 34 38.815 35.626 14.519 1.00 0.00 H new ATOM 0 HA GLU A 34 38.713 38.447 15.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.263 35.935 16.411 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.067 37.531 17.108 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.527 36.914 14.162 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.281 36.874 15.394 1.00 0.00 H new ATOM 556 N GLY A 35 40.769 36.454 16.525 1.00 0.00 N ATOM 557 CA GLY A 35 41.802 36.246 17.536 1.00 0.00 C ATOM 558 C GLY A 35 41.259 35.630 18.829 1.00 0.00 C ATOM 559 O GLY A 35 41.830 35.841 19.898 1.00 0.00 O ATOM 0 H GLY A 35 40.950 36.004 15.628 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.576 35.596 17.128 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.275 37.201 17.766 1.00 0.00 H new ATOM 563 N ILE A 36 40.164 34.874 18.737 1.00 0.00 N ATOM 564 CA ILE A 36 39.571 34.237 19.912 1.00 0.00 C ATOM 565 C ILE A 36 40.037 32.775 20.030 1.00 0.00 C ATOM 566 O ILE A 36 39.619 31.936 19.232 1.00 0.00 O ATOM 567 CB ILE A 36 38.058 34.272 19.774 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.638 35.711 19.493 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.421 33.789 21.076 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.122 35.798 19.416 1.00 0.00 C ATOM 0 H ILE A 36 39.671 34.689 17.863 1.00 0.00 H new ATOM 0 HA ILE A 36 39.885 34.775 20.807 1.00 0.00 H new ATOM 0 HB ILE A 36 37.733 33.624 18.960 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.010 36.368 20.279 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.079 36.052 18.557 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.335 33.813 20.981 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.745 32.769 21.283 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.728 34.440 21.895 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.826 36.828 19.215 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.761 35.154 18.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.690 35.475 20.363 1.00 0.00 H new ATOM 582 N PRO A 37 40.885 32.439 20.989 1.00 0.00 N ATOM 583 CA PRO A 37 41.373 31.038 21.153 1.00 0.00 C ATOM 584 C PRO A 37 40.221 30.014 21.138 1.00 0.00 C ATOM 585 O PRO A 37 39.097 30.330 21.540 1.00 0.00 O ATOM 586 CB PRO A 37 42.082 31.052 22.512 1.00 0.00 C ATOM 587 CG PRO A 37 42.543 32.460 22.674 1.00 0.00 C ATOM 588 CD PRO A 37 41.472 33.327 22.009 1.00 0.00 C ATOM 0 HA PRO A 37 42.026 30.735 20.334 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.406 30.760 23.316 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.920 30.355 22.531 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.655 32.716 23.728 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.515 32.610 22.204 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.724 33.660 22.728 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.903 34.222 21.560 1.00 0.00 H new ATOM 596 N PRO A 38 40.465 28.799 20.691 1.00 0.00 N ATOM 597 CA PRO A 38 39.415 27.734 20.646 1.00 0.00 C ATOM 598 C PRO A 38 38.721 27.517 21.996 1.00 0.00 C ATOM 599 O PRO A 38 37.495 27.552 22.085 1.00 0.00 O ATOM 600 CB PRO A 38 40.186 26.482 20.218 1.00 0.00 C ATOM 601 CG PRO A 38 41.358 27.007 19.471 1.00 0.00 C ATOM 602 CD PRO A 38 41.749 28.297 20.172 1.00 0.00 C ATOM 0 HA PRO A 38 38.605 28.000 19.967 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.496 25.892 21.081 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.574 25.833 19.592 1.00 0.00 H new ATOM 0 HG2 PRO A 38 42.180 26.292 19.480 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.106 27.190 18.426 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.466 28.119 20.974 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.210 29.006 19.484 1.00 0.00 H new ATOM 610 N ASP A 39 39.511 27.283 23.041 1.00 0.00 N ATOM 611 CA ASP A 39 38.951 27.046 24.367 1.00 0.00 C ATOM 612 C ASP A 39 38.197 28.270 24.870 1.00 0.00 C ATOM 613 O ASP A 39 37.328 28.163 25.736 1.00 0.00 O ATOM 614 CB ASP A 39 40.066 26.695 25.354 1.00 0.00 C ATOM 615 CG ASP A 39 40.831 25.471 24.863 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.206 24.437 24.686 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.030 25.584 24.670 1.00 0.00 O ATOM 0 H ASP A 39 40.530 27.253 22.996 1.00 0.00 H new ATOM 0 HA ASP A 39 38.252 26.213 24.292 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.746 27.540 25.462 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.642 26.498 26.339 1.00 0.00 H new ATOM 622 N GLN A 40 38.546 29.434 24.340 1.00 0.00 N ATOM 623 CA GLN A 40 37.909 30.675 24.768 1.00 0.00 C ATOM 624 C GLN A 40 36.542 30.854 24.125 1.00 0.00 C ATOM 625 O GLN A 40 35.675 31.505 24.696 1.00 0.00 O ATOM 626 CB GLN A 40 38.791 31.876 24.403 1.00 0.00 C ATOM 627 CG GLN A 40 39.975 31.952 25.364 1.00 0.00 C ATOM 628 CD GLN A 40 39.496 32.383 26.746 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.934 33.468 26.900 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.684 31.592 27.767 1.00 0.00 N ATOM 0 H GLN A 40 39.259 29.547 23.620 1.00 0.00 H new ATOM 0 HA GLN A 40 37.781 30.618 25.849 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.148 31.780 23.377 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.209 32.796 24.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.466 30.981 25.427 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.714 32.660 24.989 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.150 30.694 27.637 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.365 31.872 28.695 1.00 0.00 H new ATOM 639 N GLN A 41 36.348 30.283 22.937 1.00 0.00 N ATOM 640 CA GLN A 41 35.072 30.404 22.229 1.00 0.00 C ATOM 641 C GLN A 41 34.202 29.164 22.403 1.00 0.00 C ATOM 642 O GLN A 41 34.698 28.037 22.436 1.00 0.00 O ATOM 643 CB GLN A 41 35.332 30.629 20.742 1.00 0.00 C ATOM 644 CG GLN A 41 36.160 29.475 20.184 1.00 0.00 C ATOM 645 CD GLN A 41 36.456 29.709 18.707 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.847 29.076 17.844 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.358 30.587 18.361 1.00 0.00 N ATOM 0 H GLN A 41 37.054 29.734 22.446 1.00 0.00 H new ATOM 0 HA GLN A 41 34.538 31.253 22.656 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.386 30.704 20.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.858 31.572 20.594 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.093 29.385 20.740 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.621 28.536 20.311 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.861 31.110 19.077 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.559 30.750 17.374 1.00 0.00 H new ATOM 656 N ARG A 42 32.889 29.393 22.495 1.00 0.00 N ATOM 657 CA ARG A 42 31.913 28.319 22.643 1.00 0.00 C ATOM 658 C ARG A 42 30.908 28.439 21.507 1.00 0.00 C ATOM 659 O ARG A 42 30.285 29.487 21.338 1.00 0.00 O ATOM 660 CB ARG A 42 31.183 28.456 23.987 1.00 0.00 C ATOM 661 CG ARG A 42 32.177 28.302 25.154 1.00 0.00 C ATOM 662 CD ARG A 42 32.368 26.819 25.494 1.00 0.00 C ATOM 663 NE ARG A 42 33.253 26.672 26.644 1.00 0.00 N ATOM 664 CZ ARG A 42 33.639 25.471 27.066 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.438 25.365 28.093 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.216 24.397 26.456 1.00 0.00 N ATOM 0 H ARG A 42 32.478 30.326 22.469 1.00 0.00 H new ATOM 0 HA ARG A 42 32.413 27.351 22.614 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.692 29.427 24.044 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.402 27.699 24.063 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.135 28.748 24.887 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.809 28.839 26.028 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.402 26.361 25.709 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.786 26.293 24.636 1.00 0.00 H new ATOM 0 HE ARG A 42 33.582 27.505 27.133 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.767 26.203 28.572 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.734 24.444 28.416 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.589 24.479 25.655 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.512 23.476 26.780 1.00 0.00 H new ATOM 680 N LEU A 43 30.763 27.388 20.705 1.00 0.00 N ATOM 681 CA LEU A 43 29.832 27.431 19.577 1.00 0.00 C ATOM 682 C LEU A 43 28.480 26.845 19.951 1.00 0.00 C ATOM 683 O LEU A 43 28.370 25.665 20.300 1.00 0.00 O ATOM 684 CB LEU A 43 30.401 26.652 18.399 1.00 0.00 C ATOM 685 CG LEU A 43 31.848 27.064 18.111 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.233 26.563 16.723 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.994 28.586 18.151 1.00 0.00 C ATOM 0 H LEU A 43 31.268 26.508 20.810 1.00 0.00 H new ATOM 0 HA LEU A 43 29.696 28.477 19.302 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.360 25.584 18.612 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.788 26.825 17.515 1.00 0.00 H new ATOM 0 HG LEU A 43 32.499 26.630 18.870 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.262 26.850 16.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.144 25.477 16.691 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.568 27.004 15.980 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.029 28.858 17.944 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.344 29.034 17.399 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.713 28.953 19.138 1.00 0.00 H new ATOM 699 N ILE A 44 27.451 27.685 19.870 1.00 0.00 N ATOM 700 CA ILE A 44 26.085 27.269 20.202 1.00 0.00 C ATOM 701 C ILE A 44 25.186 27.238 18.963 1.00 0.00 C ATOM 702 O ILE A 44 25.059 28.238 18.244 1.00 0.00 O ATOM 703 CB ILE A 44 25.480 28.248 21.217 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.432 28.439 22.407 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.134 27.711 21.715 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.816 27.084 23.013 1.00 0.00 C ATOM 0 H ILE A 44 27.534 28.659 19.578 1.00 0.00 H new ATOM 0 HA ILE A 44 26.140 26.264 20.619 1.00 0.00 H new ATOM 0 HB ILE A 44 25.329 29.211 20.729 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.329 28.965 22.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.955 29.061 23.165 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.708 28.409 22.436 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.453 27.599 20.872 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.283 26.743 22.193 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.491 27.240 23.855 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.918 26.572 23.358 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.313 26.475 22.258 1.00 0.00 H new ATOM 718 N PHE A 45 24.555 26.084 18.727 1.00 0.00 N ATOM 719 CA PHE A 45 23.646 25.911 17.596 1.00 0.00 C ATOM 720 C PHE A 45 22.426 25.114 18.045 1.00 0.00 C ATOM 721 O PHE A 45 22.552 23.988 18.523 1.00 0.00 O ATOM 722 CB PHE A 45 24.347 25.162 16.466 1.00 0.00 C ATOM 723 CG PHE A 45 23.447 25.090 15.259 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.522 26.072 14.264 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.547 24.030 15.129 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.693 25.992 13.138 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.715 23.949 14.006 1.00 0.00 C ATOM 728 CZ PHE A 45 21.790 24.929 13.008 1.00 0.00 C ATOM 0 H PHE A 45 24.660 25.253 19.309 1.00 0.00 H new ATOM 0 HA PHE A 45 23.338 26.893 17.236 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.278 25.667 16.206 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.611 24.156 16.794 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.219 26.891 14.365 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.493 23.272 15.896 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.750 26.749 12.370 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.016 23.132 13.909 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.152 24.865 12.139 1.00 0.00 H new ATOM 738 N ALA A 46 21.247 25.707 17.903 1.00 0.00 N ATOM 739 CA ALA A 46 20.015 25.041 18.307 1.00 0.00 C ATOM 740 C ALA A 46 20.098 24.571 19.761 1.00 0.00 C ATOM 741 O ALA A 46 19.644 23.477 20.096 1.00 0.00 O ATOM 742 CB ALA A 46 19.747 23.843 17.396 1.00 0.00 C ATOM 0 H ALA A 46 21.118 26.641 17.514 1.00 0.00 H new ATOM 0 HA ALA A 46 19.197 25.757 18.220 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.825 23.351 17.704 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.649 24.184 16.365 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.576 23.139 17.468 1.00 0.00 H new ATOM 748 N GLY A 47 20.668 25.411 20.619 1.00 0.00 N ATOM 749 CA GLY A 47 20.792 25.083 22.038 1.00 0.00 C ATOM 750 C GLY A 47 21.696 23.870 22.276 1.00 0.00 C ATOM 751 O GLY A 47 21.666 23.274 23.352 1.00 0.00 O ATOM 0 H GLY A 47 21.050 26.320 20.360 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.193 25.943 22.574 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.803 24.883 22.450 1.00 0.00 H new ATOM 755 N LYS A 48 22.509 23.514 21.278 1.00 0.00 N ATOM 756 CA LYS A 48 23.428 22.373 21.405 1.00 0.00 C ATOM 757 C LYS A 48 24.863 22.806 21.135 1.00 0.00 C ATOM 758 O LYS A 48 25.144 23.420 20.105 1.00 0.00 O ATOM 759 CB LYS A 48 23.055 21.280 20.410 1.00 0.00 C ATOM 760 CG LYS A 48 21.665 20.724 20.736 1.00 0.00 C ATOM 761 CD LYS A 48 21.383 19.505 19.853 1.00 0.00 C ATOM 762 CE LYS A 48 20.078 18.843 20.297 1.00 0.00 C ATOM 763 NZ LYS A 48 18.943 19.776 20.052 1.00 0.00 N ATOM 0 H LYS A 48 22.552 23.993 20.379 1.00 0.00 H new ATOM 0 HA LYS A 48 23.347 21.992 22.423 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.066 21.681 19.396 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.793 20.479 20.444 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.611 20.445 21.788 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.907 21.490 20.570 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.312 19.808 18.808 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.206 18.794 19.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.924 17.913 19.749 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.130 18.585 21.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.044 19.261 20.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.971 20.547 20.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.020 20.172 19.094 1.00 0.00 H new ATOM 777 N GLN A 49 25.780 22.470 22.040 1.00 0.00 N ATOM 778 CA GLN A 49 27.176 22.821 21.849 1.00 0.00 C ATOM 779 C GLN A 49 27.825 21.868 20.857 1.00 0.00 C ATOM 780 O GLN A 49 27.660 20.651 20.951 1.00 0.00 O ATOM 781 CB GLN A 49 27.927 22.762 23.176 1.00 0.00 C ATOM 782 CG GLN A 49 29.310 23.391 23.002 1.00 0.00 C ATOM 783 CD GLN A 49 30.126 23.219 24.278 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.496 24.204 24.918 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.429 22.018 24.691 1.00 0.00 N ATOM 0 H GLN A 49 25.580 21.961 22.901 1.00 0.00 H new ATOM 0 HA GLN A 49 27.224 23.837 21.458 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.368 23.292 23.947 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.024 21.728 23.507 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.828 22.924 22.164 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.210 24.450 22.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.122 21.203 24.160 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.973 21.894 25.545 1.00 0.00 H new ATOM 794 N LEU A 50 28.538 22.423 19.893 1.00 0.00 N ATOM 795 CA LEU A 50 29.176 21.599 18.876 1.00 0.00 C ATOM 796 C LEU A 50 30.292 20.752 19.487 1.00 0.00 C ATOM 797 O LEU A 50 31.064 21.224 20.320 1.00 0.00 O ATOM 798 CB LEU A 50 29.735 22.489 17.764 1.00 0.00 C ATOM 799 CG LEU A 50 28.595 22.937 16.838 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.491 23.614 17.654 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.137 23.927 15.807 1.00 0.00 C ATOM 0 H LEU A 50 28.690 23.426 19.791 1.00 0.00 H new ATOM 0 HA LEU A 50 28.430 20.925 18.454 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.229 23.359 18.195 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.488 21.945 17.193 1.00 0.00 H new ATOM 0 HG LEU A 50 28.184 22.063 16.333 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.687 23.928 16.988 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.099 22.911 18.390 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.899 24.485 18.166 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.329 24.246 15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.552 24.795 16.319 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.917 23.447 15.217 1.00 0.00 H new ATOM 813 N GLU A 51 30.348 19.487 19.069 1.00 0.00 N ATOM 814 CA GLU A 51 31.341 18.551 19.571 1.00 0.00 C ATOM 815 C GLU A 51 32.752 18.949 19.137 1.00 0.00 C ATOM 816 O GLU A 51 32.949 19.525 18.069 1.00 0.00 O ATOM 817 CB GLU A 51 31.015 17.146 19.060 1.00 0.00 C ATOM 818 CG GLU A 51 31.745 16.108 19.904 1.00 0.00 C ATOM 819 CD GLU A 51 31.560 14.722 19.298 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.474 14.453 18.811 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.505 13.951 19.326 1.00 0.00 O ATOM 0 H GLU A 51 29.710 19.090 18.379 1.00 0.00 H new ATOM 0 HA GLU A 51 31.311 18.567 20.660 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.940 16.973 19.104 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.310 17.051 18.015 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.806 16.352 19.958 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.362 16.122 20.924 1.00 0.00 H new ATOM 828 N ASP A 52 33.719 18.658 19.995 1.00 0.00 N ATOM 829 CA ASP A 52 35.107 19.002 19.735 1.00 0.00 C ATOM 830 C ASP A 52 35.740 18.149 18.625 1.00 0.00 C ATOM 831 O ASP A 52 36.967 18.097 18.523 1.00 0.00 O ATOM 832 CB ASP A 52 35.927 18.835 21.016 1.00 0.00 C ATOM 833 CG ASP A 52 35.283 19.617 22.155 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.836 20.724 21.907 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.247 19.097 23.258 1.00 0.00 O ATOM 0 H ASP A 52 33.565 18.181 20.883 1.00 0.00 H new ATOM 0 HA ASP A 52 35.115 20.038 19.397 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.992 17.780 21.280 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.946 19.187 20.853 1.00 0.00 H new ATOM 840 N GLY A 53 34.935 17.479 17.794 1.00 0.00 N ATOM 841 CA GLY A 53 35.518 16.654 16.729 1.00 0.00 C ATOM 842 C GLY A 53 34.486 16.104 15.737 1.00 0.00 C ATOM 843 O GLY A 53 34.706 15.043 15.151 1.00 0.00 O ATOM 0 H GLY A 53 33.916 17.488 17.832 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.252 17.247 16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.054 15.820 17.181 1.00 0.00 H new ATOM 847 N ARG A 54 33.374 16.813 15.530 1.00 0.00 N ATOM 848 CA ARG A 54 32.344 16.349 14.583 1.00 0.00 C ATOM 849 C ARG A 54 32.408 17.134 13.272 1.00 0.00 C ATOM 850 O ARG A 54 33.087 18.158 13.175 1.00 0.00 O ATOM 851 CB ARG A 54 30.944 16.495 15.203 1.00 0.00 C ATOM 852 CG ARG A 54 30.659 15.316 16.152 1.00 0.00 C ATOM 853 CD ARG A 54 30.289 14.044 15.364 1.00 0.00 C ATOM 854 NE ARG A 54 31.488 13.280 15.046 1.00 0.00 N ATOM 855 CZ ARG A 54 31.429 12.196 14.280 1.00 0.00 C ATOM 856 NH1 ARG A 54 32.519 11.535 14.003 1.00 0.00 N ATOM 857 NH2 ARG A 54 30.281 11.789 13.814 1.00 0.00 N ATOM 0 H ARG A 54 33.161 17.696 15.994 1.00 0.00 H new ATOM 0 HA ARG A 54 32.537 15.298 14.369 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.876 17.436 15.749 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.191 16.528 14.416 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.536 15.122 16.769 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.845 15.578 16.828 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.604 13.431 15.950 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.768 14.315 14.446 1.00 0.00 H new ATOM 0 HE ARG A 54 32.388 13.583 15.418 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.415 11.851 14.374 1.00 0.00 H new ATOM 0 HH12 ARG A 54 32.475 10.703 13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.429 12.303 14.038 1.00 0.00 H new ATOM 0 HH22 ARG A 54 30.235 10.957 13.226 1.00 0.00 H new ATOM 871 N THR A 55 31.678 16.637 12.268 1.00 0.00 N ATOM 872 CA THR A 55 31.621 17.279 10.953 1.00 0.00 C ATOM 873 C THR A 55 30.324 18.066 10.809 1.00 0.00 C ATOM 874 O THR A 55 29.282 17.682 11.355 1.00 0.00 O ATOM 875 CB THR A 55 31.698 16.215 9.853 1.00 0.00 C ATOM 876 OG1 THR A 55 30.718 15.214 10.095 1.00 0.00 O ATOM 877 CG2 THR A 55 33.091 15.579 9.848 1.00 0.00 C ATOM 0 H THR A 55 31.117 15.789 12.343 1.00 0.00 H new ATOM 0 HA THR A 55 32.465 17.962 10.858 1.00 0.00 H new ATOM 0 HB THR A 55 31.512 16.680 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.765 14.534 9.391 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.143 14.823 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.841 16.347 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.282 15.114 10.815 1.00 0.00 H new ATOM 885 N LEU A 56 30.370 19.157 10.049 1.00 0.00 N ATOM 886 CA LEU A 56 29.179 19.948 9.842 1.00 0.00 C ATOM 887 C LEU A 56 28.089 19.066 9.252 1.00 0.00 C ATOM 888 O LEU A 56 26.923 19.205 9.605 1.00 0.00 O ATOM 889 CB LEU A 56 29.479 21.126 8.916 1.00 0.00 C ATOM 890 CG LEU A 56 30.269 22.207 9.678 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.724 21.758 9.873 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.242 23.500 8.864 1.00 0.00 C ATOM 0 H LEU A 56 31.206 19.502 9.578 1.00 0.00 H new ATOM 0 HA LEU A 56 28.838 20.348 10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.052 20.785 8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.548 21.545 8.534 1.00 0.00 H new ATOM 0 HG LEU A 56 29.816 22.368 10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.274 22.529 10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.745 20.830 10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.188 21.595 8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.798 24.274 9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.699 23.326 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.210 23.823 8.728 1.00 0.00 H new ATOM 904 N SER A 57 28.462 18.164 8.336 1.00 0.00 N ATOM 905 CA SER A 57 27.487 17.280 7.702 1.00 0.00 C ATOM 906 C SER A 57 26.524 16.695 8.729 1.00 0.00 C ATOM 907 O SER A 57 25.320 16.581 8.472 1.00 0.00 O ATOM 908 CB SER A 57 28.215 16.144 6.981 1.00 0.00 C ATOM 909 OG SER A 57 28.905 16.669 5.855 1.00 0.00 O ATOM 0 H SER A 57 29.423 18.030 8.022 1.00 0.00 H new ATOM 0 HA SER A 57 26.911 17.866 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.917 15.659 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 57 27.502 15.384 6.663 1.00 0.00 H new ATOM 0 HG SER A 57 28.985 17.642 5.944 1.00 0.00 H new ATOM 915 N ASP A 58 27.047 16.351 9.900 1.00 0.00 N ATOM 916 CA ASP A 58 26.201 15.812 10.955 1.00 0.00 C ATOM 917 C ASP A 58 25.196 16.878 11.355 1.00 0.00 C ATOM 918 O ASP A 58 24.028 16.594 11.629 1.00 0.00 O ATOM 919 CB ASP A 58 27.047 15.409 12.168 1.00 0.00 C ATOM 920 CG ASP A 58 26.184 14.673 13.191 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.179 15.229 13.598 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.546 13.565 13.553 1.00 0.00 O ATOM 0 H ASP A 58 28.035 16.434 10.140 1.00 0.00 H new ATOM 0 HA ASP A 58 25.684 14.924 10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.871 14.771 11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.488 16.295 12.624 1.00 0.00 H new ATOM 927 N TYR A 59 25.677 18.117 11.366 1.00 0.00 N ATOM 928 CA TYR A 59 24.844 19.263 11.718 1.00 0.00 C ATOM 929 C TYR A 59 24.057 19.780 10.505 1.00 0.00 C ATOM 930 O TYR A 59 23.219 20.671 10.643 1.00 0.00 O ATOM 931 CB TYR A 59 25.736 20.379 12.268 1.00 0.00 C ATOM 932 CG TYR A 59 26.228 20.008 13.651 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.522 19.498 13.820 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.393 20.178 14.763 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.979 19.156 15.098 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.851 19.835 16.042 1.00 0.00 C ATOM 937 CZ TYR A 59 27.144 19.325 16.209 1.00 0.00 C ATOM 938 OH TYR A 59 27.594 18.987 17.468 1.00 0.00 O ATOM 0 H TYR A 59 26.642 18.354 11.135 1.00 0.00 H new ATOM 0 HA TYR A 59 24.124 18.948 12.473 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.583 20.541 11.602 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.179 21.315 12.309 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.167 19.369 12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.396 20.573 14.634 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.976 18.762 15.227 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.207 19.964 16.899 1.00 0.00 H new ATOM 0 HH TYR A 59 26.891 19.167 18.126 1.00 0.00 H new ATOM 948 N ASN A 60 24.320 19.222 9.319 1.00 0.00 N ATOM 949 CA ASN A 60 23.609 19.654 8.112 1.00 0.00 C ATOM 950 C ASN A 60 22.238 18.994 8.032 1.00 0.00 C ATOM 951 O ASN A 60 21.260 19.625 7.638 1.00 0.00 O ATOM 952 CB ASN A 60 24.415 19.310 6.855 1.00 0.00 C ATOM 953 CG ASN A 60 23.659 19.775 5.612 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.686 20.520 5.719 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.053 19.378 4.432 1.00 0.00 N ATOM 0 H ASN A 60 25.007 18.483 9.170 1.00 0.00 H new ATOM 0 HA ASN A 60 23.483 20.735 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.393 19.789 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.588 18.235 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.554 19.686 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.860 18.760 4.345 1.00 0.00 H new ATOM 962 N ILE A 61 22.171 17.723 8.411 1.00 0.00 N ATOM 963 CA ILE A 61 20.898 17.008 8.379 1.00 0.00 C ATOM 964 C ILE A 61 19.918 17.685 9.332 1.00 0.00 C ATOM 965 O ILE A 61 18.778 17.979 8.975 1.00 0.00 O ATOM 966 CB ILE A 61 21.107 15.547 8.788 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.966 14.848 7.732 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.754 14.842 8.893 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.424 13.484 8.259 1.00 0.00 C ATOM 0 H ILE A 61 22.966 17.174 8.738 1.00 0.00 H new ATOM 0 HA ILE A 61 20.493 17.031 7.367 1.00 0.00 H new ATOM 0 HB ILE A 61 21.608 15.508 9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.396 14.720 6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.832 15.464 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.907 13.803 9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.140 15.342 9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.249 14.878 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.035 12.989 7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.010 13.623 9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.552 12.868 8.481 1.00 0.00 H new ATOM 981 N GLN A 62 20.388 17.918 10.553 1.00 0.00 N ATOM 982 CA GLN A 62 19.573 18.562 11.576 1.00 0.00 C ATOM 983 C GLN A 62 19.350 20.032 11.223 1.00 0.00 C ATOM 984 O GLN A 62 19.522 20.910 12.069 1.00 0.00 O ATOM 985 CB GLN A 62 20.284 18.462 12.932 1.00 0.00 C ATOM 986 CG GLN A 62 20.755 17.023 13.167 1.00 0.00 C ATOM 987 CD GLN A 62 21.455 16.920 14.519 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.828 17.121 15.559 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.723 16.618 14.568 1.00 0.00 N ATOM 0 H GLN A 62 21.329 17.670 10.858 1.00 0.00 H new ATOM 0 HA GLN A 62 18.607 18.060 11.630 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.136 19.142 12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.608 18.768 13.731 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.904 16.343 13.136 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.435 16.719 12.371 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.241 16.452 13.705 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.196 16.548 15.469 1.00 0.00 H new ATOM 998 N LYS A 63 18.971 20.300 9.966 1.00 0.00 N ATOM 999 CA LYS A 63 18.727 21.674 9.517 1.00 0.00 C ATOM 1000 C LYS A 63 17.405 22.216 10.061 1.00 0.00 C ATOM 1001 O LYS A 63 16.507 22.562 9.291 1.00 0.00 O ATOM 1002 CB LYS A 63 18.719 21.743 7.976 1.00 0.00 C ATOM 1003 CG LYS A 63 18.799 23.208 7.521 1.00 0.00 C ATOM 1004 CD LYS A 63 18.899 23.276 5.994 1.00 0.00 C ATOM 1005 CE LYS A 63 18.782 24.735 5.541 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.412 25.240 5.839 1.00 0.00 N ATOM 0 H LYS A 63 18.828 19.589 9.249 1.00 0.00 H new ATOM 0 HA LYS A 63 19.536 22.293 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.562 21.181 7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.812 21.281 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.918 23.752 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.665 23.691 7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.848 22.855 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.109 22.678 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.526 25.346 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.985 24.813 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.182 26.022 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.723 24.471 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.373 25.579 6.821 1.00 0.00 H new ATOM 1020 N GLU A 64 17.293 22.304 11.388 1.00 0.00 N ATOM 1021 CA GLU A 64 16.080 22.832 12.014 1.00 0.00 C ATOM 1022 C GLU A 64 15.802 24.242 11.496 1.00 0.00 C ATOM 1023 O GLU A 64 14.663 24.591 11.192 1.00 0.00 O ATOM 1024 CB GLU A 64 16.262 22.881 13.541 1.00 0.00 C ATOM 1025 CG GLU A 64 16.360 21.460 14.100 1.00 0.00 C ATOM 1026 CD GLU A 64 15.043 20.723 13.887 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.007 21.359 14.000 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.090 19.537 13.610 1.00 0.00 O ATOM 0 H GLU A 64 18.020 22.019 12.044 1.00 0.00 H new ATOM 0 HA GLU A 64 15.242 22.181 11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.162 23.442 13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.423 23.404 13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.171 20.922 13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.599 21.494 15.163 1.00 0.00 H new ATOM 1049 N THR A 66 18.292 27.885 9.739 1.00 0.00 N ATOM 1050 CA THR A 66 19.322 28.213 8.752 1.00 0.00 C ATOM 1051 C THR A 66 20.695 27.958 9.364 1.00 0.00 C ATOM 1052 O THR A 66 20.787 27.556 10.524 1.00 0.00 O ATOM 1053 CB THR A 66 19.196 29.687 8.332 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.718 30.454 9.432 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.215 29.796 7.167 1.00 0.00 C ATOM 0 HA THR A 66 19.195 27.588 7.868 1.00 0.00 H new ATOM 0 HB THR A 66 20.171 30.066 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.232 29.870 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.122 30.839 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.581 29.207 6.326 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.240 29.420 7.476 1.00 0.00 H new ATOM 1063 N LEU A 67 21.757 28.171 8.588 1.00 0.00 N ATOM 1064 CA LEU A 67 23.111 27.931 9.078 1.00 0.00 C ATOM 1065 C LEU A 67 23.588 29.094 9.939 1.00 0.00 C ATOM 1066 O LEU A 67 24.726 29.555 9.816 1.00 0.00 O ATOM 1067 CB LEU A 67 24.057 27.759 7.879 1.00 0.00 C ATOM 1068 CG LEU A 67 23.456 26.762 6.867 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.307 26.730 5.590 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.421 25.358 7.482 1.00 0.00 C ATOM 0 H LEU A 67 21.706 28.506 7.626 1.00 0.00 H new ATOM 0 HA LEU A 67 23.110 27.028 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.224 28.722 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.028 27.401 8.221 1.00 0.00 H new ATOM 0 HG LEU A 67 22.444 27.081 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.874 26.023 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.329 27.724 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.322 26.420 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.996 24.657 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.434 25.047 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.808 25.371 8.383 1.00 0.00 H new ATOM 1082 N HIS A 68 22.702 29.544 10.814 1.00 0.00 N ATOM 1083 CA HIS A 68 23.018 30.643 11.714 1.00 0.00 C ATOM 1084 C HIS A 68 23.810 30.111 12.892 1.00 0.00 C ATOM 1085 O HIS A 68 23.329 29.267 13.651 1.00 0.00 O ATOM 1086 CB HIS A 68 21.725 31.289 12.225 1.00 0.00 C ATOM 1087 CG HIS A 68 21.049 32.018 11.098 1.00 0.00 C ATOM 1088 ND1 HIS A 68 19.889 32.753 11.285 1.00 0.00 N ATOM 1089 CD2 HIS A 68 21.355 32.133 9.765 1.00 0.00 C ATOM 1090 CE1 HIS A 68 19.542 33.273 10.095 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.402 32.927 9.133 1.00 0.00 N ATOM 0 H HIS A 68 21.760 29.166 10.920 1.00 0.00 H new ATOM 0 HA HIS A 68 23.604 31.389 11.178 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.060 30.526 12.629 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.948 31.980 13.038 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.206 31.677 9.280 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.673 33.895 9.936 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.368 33.188 8.148 1.00 0.00 H new ATOM 1100 N LEU A 69 25.039 30.594 13.030 1.00 0.00 N ATOM 1101 CA LEU A 69 25.921 30.162 14.100 1.00 0.00 C ATOM 1102 C LEU A 69 26.108 31.277 15.114 1.00 0.00 C ATOM 1103 O LEU A 69 26.408 32.408 14.743 1.00 0.00 O ATOM 1104 CB LEU A 69 27.278 29.764 13.485 1.00 0.00 C ATOM 1105 CG LEU A 69 27.924 28.624 14.288 1.00 0.00 C ATOM 1106 CD1 LEU A 69 28.034 29.027 15.768 1.00 0.00 C ATOM 1107 CD2 LEU A 69 27.072 27.344 14.159 1.00 0.00 C ATOM 0 H LEU A 69 25.447 31.291 12.407 1.00 0.00 H new ATOM 0 HA LEU A 69 25.484 29.308 14.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.137 29.452 12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.943 30.627 13.470 1.00 0.00 H new ATOM 0 HG LEU A 69 28.922 28.431 13.894 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.493 28.215 16.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.648 29.923 15.856 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.039 29.229 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.535 26.540 14.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.070 27.533 14.545 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.008 27.054 13.110 1.00 0.00 H new ATOM 1119 N VAL A 70 25.960 30.945 16.393 1.00 0.00 N ATOM 1120 CA VAL A 70 26.141 31.930 17.457 1.00 0.00 C ATOM 1121 C VAL A 70 27.382 31.589 18.261 1.00 0.00 C ATOM 1122 O VAL A 70 27.509 30.485 18.794 1.00 0.00 O ATOM 1123 CB VAL A 70 24.908 31.947 18.366 1.00 0.00 C ATOM 1124 CG1 VAL A 70 25.192 32.782 19.619 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.737 32.568 17.605 1.00 0.00 C ATOM 0 H VAL A 70 25.717 30.009 16.717 1.00 0.00 H new ATOM 0 HA VAL A 70 26.265 32.919 17.017 1.00 0.00 H new ATOM 0 HB VAL A 70 24.665 30.927 18.663 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.310 32.789 20.259 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.032 32.349 20.162 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.437 33.804 19.328 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.855 32.584 18.245 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.992 33.587 17.313 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.528 31.977 16.714 1.00 0.00 H new ATOM 1135 N LEU A 71 28.295 32.548 18.355 1.00 0.00 N ATOM 1136 CA LEU A 71 29.533 32.346 19.114 1.00 0.00 C ATOM 1137 C LEU A 71 29.484 33.093 20.444 1.00 0.00 C ATOM 1138 O LEU A 71 28.893 34.168 20.545 1.00 0.00 O ATOM 1139 CB LEU A 71 30.733 32.820 18.293 1.00 0.00 C ATOM 1140 CG LEU A 71 30.769 34.368 18.242 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.697 34.921 19.346 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.277 34.829 16.864 1.00 0.00 C ATOM 0 H LEU A 71 28.208 33.467 17.921 1.00 0.00 H new ATOM 0 HA LEU A 71 29.637 31.281 19.322 1.00 0.00 H new ATOM 0 HB2 LEU A 71 31.656 32.442 18.733 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.673 32.417 17.282 1.00 0.00 H new ATOM 0 HG LEU A 71 29.761 34.748 18.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.712 36.010 19.297 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.328 34.606 20.322 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.707 34.537 19.199 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.301 35.918 16.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.281 34.438 16.697 1.00 0.00 H new ATOM 0 HD23 LEU A 71 30.609 34.457 16.087 1.00 0.00 H new ATOM 1154 N ARG A 72 30.122 32.511 21.452 1.00 0.00 N ATOM 1155 CA ARG A 72 30.169 33.103 22.786 1.00 0.00 C ATOM 1156 C ARG A 72 31.545 32.847 23.400 1.00 0.00 C ATOM 1157 O ARG A 72 32.344 32.093 22.845 1.00 0.00 O ATOM 1158 CB ARG A 72 29.081 32.461 23.670 1.00 0.00 C ATOM 1159 CG ARG A 72 27.776 33.269 23.585 1.00 0.00 C ATOM 1160 CD ARG A 72 26.673 32.561 24.382 1.00 0.00 C ATOM 1161 NE ARG A 72 27.052 32.451 25.785 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.944 33.488 26.609 1.00 0.00 C ATOM 1163 NH1 ARG A 72 27.287 33.364 27.861 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.499 34.631 26.163 1.00 0.00 N ATOM 0 H ARG A 72 30.618 31.623 21.371 1.00 0.00 H new ATOM 0 HA ARG A 72 29.993 34.177 22.719 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.902 31.435 23.350 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.423 32.417 24.704 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.933 34.274 23.978 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.472 33.378 22.544 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.739 33.115 24.293 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.496 31.569 23.968 1.00 0.00 H new ATOM 0 HE ARG A 72 27.406 31.563 26.140 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.638 32.471 28.208 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.204 34.160 28.494 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.234 34.728 25.183 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.416 35.427 26.795 1.00 0.00 H new