USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 56:sc= 1.28 USER MOD Set 1.2: A 74 GLN : amide:sc= 0.543 K(o=1.8,f=0.05) USER MOD Set 2.1: A 33 HIS : no HD1:sc= 0.562 K(o=-0.068,f=-1.8!) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.63 USER MOD Set 3.1: A 29 THR OG1 : rot -117:sc= 0.284 USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= 0.314 (180deg=-0.542) USER MOD Single : A 22 CYS SG : rot 6:sc= 0.0975 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0779 K(o=-0.078,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -0.007 (180deg=-0.161) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0268 (180deg=-0.66) USER MOD Single : A 63 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 65:sc= 0.713 USER MOD Single : A 78 THR OG1 : rot 65:sc= 1.11 USER MOD Single : A 81 ASN : amide:sc= 0.922 K(o=0.92,f=-0.0072) USER MOD Single : A 82 THR OG1 : rot -57:sc= 0.975 USER MOD Single : A 84 GLN : amide:sc= -0.205 K(o=-0.2,f=-2!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -4.382 -5.668 -11.114 1.00 52.03 N ATOM 80 CA ILE A 7 -3.280 -4.846 -10.693 1.00 24.23 C ATOM 81 C ILE A 7 -3.518 -3.512 -11.350 1.00 70.11 C ATOM 82 O ILE A 7 -3.962 -3.444 -12.490 1.00 13.13 O ATOM 83 CB ILE A 7 -1.896 -5.427 -11.110 1.00 62.53 C ATOM 84 CG1 ILE A 7 -1.508 -6.684 -10.267 1.00 13.35 C ATOM 85 CG2 ILE A 7 -0.798 -4.335 -11.009 1.00 34.24 C ATOM 86 CD1 ILE A 7 -2.360 -7.923 -10.533 1.00 3.40 C ATOM 0 HA ILE A 7 -3.241 -4.782 -9.606 1.00 24.23 H new ATOM 0 HB ILE A 7 -1.976 -5.751 -12.148 1.00 62.53 H new ATOM 0 HG12 ILE A 7 -0.465 -6.929 -10.465 1.00 13.35 H new ATOM 0 HG13 ILE A 7 -1.581 -6.431 -9.209 1.00 13.35 H new ATOM 0 HG21 ILE A 7 0.163 -4.757 -11.304 1.00 34.24 H new ATOM 0 HG22 ILE A 7 -1.048 -3.505 -11.670 1.00 34.24 H new ATOM 0 HG23 ILE A 7 -0.737 -3.975 -9.982 1.00 34.24 H new ATOM 0 HD11 ILE A 7 -2.016 -8.743 -9.903 1.00 3.40 H new ATOM 0 HD12 ILE A 7 -3.403 -7.703 -10.306 1.00 3.40 H new ATOM 0 HD13 ILE A 7 -2.270 -8.209 -11.581 1.00 3.40 H new ATOM 98 N PHE A 8 -3.249 -2.420 -10.625 1.00 51.42 N ATOM 99 CA PHE A 8 -3.454 -1.103 -11.172 1.00 4.43 C ATOM 100 C PHE A 8 -2.430 -0.216 -10.537 1.00 55.13 C ATOM 101 O PHE A 8 -1.860 -0.560 -9.497 1.00 11.02 O ATOM 102 CB PHE A 8 -4.893 -0.501 -10.954 1.00 41.31 C ATOM 103 CG PHE A 8 -5.313 -0.620 -9.500 1.00 50.44 C ATOM 104 CD1 PHE A 8 -5.713 -1.874 -8.958 1.00 51.33 C ATOM 105 CD2 PHE A 8 -5.347 0.520 -8.661 1.00 15.54 C ATOM 106 CE1 PHE A 8 -6.097 -1.981 -7.612 1.00 4.20 C ATOM 107 CE2 PHE A 8 -5.746 0.403 -7.310 1.00 3.00 C ATOM 108 CZ PHE A 8 -6.111 -0.847 -6.789 1.00 42.53 C ATOM 0 H PHE A 8 -2.893 -2.436 -9.669 1.00 51.42 H new ATOM 0 HA PHE A 8 -3.354 -1.173 -12.255 1.00 4.43 H new ATOM 0 HB2 PHE A 8 -4.903 0.546 -11.256 1.00 41.31 H new ATOM 0 HB3 PHE A 8 -5.610 -1.022 -11.588 1.00 41.31 H new ATOM 0 HD1 PHE A 8 -5.721 -2.751 -9.588 1.00 51.33 H new ATOM 0 HD2 PHE A 8 -5.066 1.485 -9.056 1.00 15.54 H new ATOM 0 HE1 PHE A 8 -6.383 -2.941 -7.209 1.00 4.20 H new ATOM 0 HE2 PHE A 8 -5.770 1.278 -6.678 1.00 3.00 H new ATOM 0 HZ PHE A 8 -6.403 -0.936 -5.753 1.00 42.53 H new ATOM 118 N GLU A 9 -2.155 0.941 -11.173 1.00 53.11 N ATOM 119 CA GLU A 9 -1.145 1.843 -10.689 1.00 2.24 C ATOM 120 C GLU A 9 -1.882 2.952 -10.005 1.00 14.42 C ATOM 121 O GLU A 9 -2.934 3.394 -10.500 1.00 5.05 O ATOM 122 CB GLU A 9 -0.292 2.516 -11.818 1.00 32.21 C ATOM 123 CG GLU A 9 0.406 1.530 -12.790 1.00 4.51 C ATOM 124 CD GLU A 9 -0.561 1.074 -13.878 1.00 20.04 C ATOM 125 OE1 GLU A 9 -1.699 1.580 -13.939 1.00 71.44 O ATOM 126 OE2 GLU A 9 -0.164 0.222 -14.706 1.00 61.15 O ATOM 0 H GLU A 9 -2.629 1.253 -12.020 1.00 53.11 H new ATOM 0 HA GLU A 9 -0.462 1.273 -10.059 1.00 2.24 H new ATOM 0 HB2 GLU A 9 -0.939 3.176 -12.396 1.00 32.21 H new ATOM 0 HB3 GLU A 9 0.469 3.143 -11.353 1.00 32.21 H new ATOM 0 HG2 GLU A 9 1.272 2.011 -13.244 1.00 4.51 H new ATOM 0 HG3 GLU A 9 0.774 0.666 -12.237 1.00 4.51 H new ATOM 133 N VAL A 10 -1.363 3.411 -8.855 1.00 43.13 N ATOM 134 CA VAL A 10 -1.947 4.518 -8.152 1.00 25.00 C ATOM 135 C VAL A 10 -0.827 5.450 -7.861 1.00 3.22 C ATOM 136 O VAL A 10 0.220 5.041 -7.407 1.00 11.12 O ATOM 137 CB VAL A 10 -2.583 4.120 -6.815 1.00 40.12 C ATOM 138 CG1 VAL A 10 -3.118 5.382 -6.085 1.00 13.20 C ATOM 139 CG2 VAL A 10 -3.679 3.085 -7.101 1.00 62.40 C ATOM 0 H VAL A 10 -0.536 3.017 -8.407 1.00 43.13 H new ATOM 0 HA VAL A 10 -2.739 4.947 -8.766 1.00 25.00 H new ATOM 0 HB VAL A 10 -1.851 3.668 -6.146 1.00 40.12 H new ATOM 0 HG11 VAL A 10 -3.568 5.090 -5.136 1.00 13.20 H new ATOM 0 HG12 VAL A 10 -2.294 6.071 -5.899 1.00 13.20 H new ATOM 0 HG13 VAL A 10 -3.868 5.872 -6.707 1.00 13.20 H new ATOM 0 HG21 VAL A 10 -4.149 2.784 -6.165 1.00 62.40 H new ATOM 0 HG22 VAL A 10 -4.430 3.522 -7.759 1.00 62.40 H new ATOM 0 HG23 VAL A 10 -3.238 2.212 -7.583 1.00 62.40 H new ATOM 149 N GLU A 11 -1.036 6.735 -8.107 1.00 44.34 N ATOM 150 CA GLU A 11 -0.096 7.719 -7.687 1.00 43.43 C ATOM 151 C GLU A 11 -0.744 8.404 -6.533 1.00 44.35 C ATOM 152 O GLU A 11 -1.883 8.846 -6.629 1.00 31.22 O ATOM 153 CB GLU A 11 0.253 8.731 -8.794 1.00 43.22 C ATOM 154 CG GLU A 11 -0.954 9.494 -9.361 1.00 53.31 C ATOM 155 CD GLU A 11 -0.599 9.958 -10.737 1.00 72.45 C ATOM 156 OE1 GLU A 11 0.446 10.636 -10.899 1.00 34.23 O ATOM 157 OE2 GLU A 11 -1.346 9.611 -11.682 1.00 3.44 O ATOM 0 H GLU A 11 -1.852 7.103 -8.596 1.00 44.34 H new ATOM 0 HA GLU A 11 0.854 7.253 -7.425 1.00 43.43 H new ATOM 0 HB2 GLU A 11 0.969 9.451 -8.398 1.00 43.22 H new ATOM 0 HB3 GLU A 11 0.749 8.203 -9.609 1.00 43.22 H new ATOM 0 HG2 GLU A 11 -1.833 8.850 -9.390 1.00 53.31 H new ATOM 0 HG3 GLU A 11 -1.202 10.343 -8.724 1.00 53.31 H new ATOM 164 N LEU A 12 -0.072 8.425 -5.386 1.00 65.24 N ATOM 165 CA LEU A 12 -0.644 9.000 -4.215 1.00 44.23 C ATOM 166 C LEU A 12 0.063 10.286 -4.039 1.00 24.44 C ATOM 167 O LEU A 12 1.288 10.306 -3.947 1.00 0.42 O ATOM 168 CB LEU A 12 -0.406 8.128 -2.955 1.00 22.34 C ATOM 169 CG LEU A 12 -1.581 8.130 -1.966 1.00 33.25 C ATOM 170 CD1 LEU A 12 -1.842 9.511 -1.341 1.00 32.13 C ATOM 171 CD2 LEU A 12 -2.850 7.508 -2.582 1.00 53.44 C ATOM 0 H LEU A 12 0.867 8.046 -5.262 1.00 65.24 H new ATOM 0 HA LEU A 12 -1.723 9.100 -4.329 1.00 44.23 H new ATOM 0 HB2 LEU A 12 -0.208 7.103 -3.267 1.00 22.34 H new ATOM 0 HB3 LEU A 12 0.488 8.483 -2.443 1.00 22.34 H new ATOM 0 HG LEU A 12 -1.284 7.488 -1.136 1.00 33.25 H new ATOM 0 HD11 LEU A 12 -2.684 9.445 -0.652 1.00 32.13 H new ATOM 0 HD12 LEU A 12 -0.955 9.839 -0.799 1.00 32.13 H new ATOM 0 HD13 LEU A 12 -2.072 10.229 -2.128 1.00 32.13 H new ATOM 0 HD21 LEU A 12 -3.657 7.529 -1.850 1.00 53.44 H new ATOM 0 HD22 LEU A 12 -3.144 8.079 -3.463 1.00 53.44 H new ATOM 0 HD23 LEU A 12 -2.647 6.476 -2.869 1.00 53.44 H new ATOM 183 N ALA A 13 -0.679 11.394 -4.038 1.00 51.31 N ATOM 184 CA ALA A 13 -0.063 12.682 -3.958 1.00 3.54 C ATOM 185 C ALA A 13 -0.213 13.172 -2.574 1.00 41.21 C ATOM 186 O ALA A 13 -1.229 12.961 -1.922 1.00 63.41 O ATOM 187 CB ALA A 13 -0.703 13.730 -4.879 1.00 74.33 C ATOM 0 H ALA A 13 -1.697 11.407 -4.092 1.00 51.31 H new ATOM 0 HA ALA A 13 0.975 12.557 -4.266 1.00 3.54 H new ATOM 0 HB1 ALA A 13 -0.183 14.681 -4.764 1.00 74.33 H new ATOM 0 HB2 ALA A 13 -0.628 13.398 -5.915 1.00 74.33 H new ATOM 0 HB3 ALA A 13 -1.753 13.855 -4.613 1.00 74.33 H new ATOM 193 N LYS A 14 0.802 13.894 -2.117 1.00 21.14 N ATOM 194 CA LYS A 14 0.789 14.539 -0.837 1.00 34.33 C ATOM 195 C LYS A 14 0.267 15.925 -1.054 1.00 61.12 C ATOM 196 O LYS A 14 0.658 16.852 -0.350 1.00 21.24 O ATOM 197 CB LYS A 14 2.201 14.691 -0.263 1.00 11.02 C ATOM 198 CG LYS A 14 2.848 13.373 0.128 1.00 75.25 C ATOM 199 CD LYS A 14 2.763 13.076 1.613 1.00 73.31 C ATOM 200 CE LYS A 14 3.894 12.169 2.100 1.00 31.14 C ATOM 201 NZ LYS A 14 5.206 12.837 1.937 1.00 31.11 N ATOM 0 H LYS A 14 1.664 14.042 -2.643 1.00 21.14 H new ATOM 0 HA LYS A 14 0.187 13.944 -0.151 1.00 34.33 H new ATOM 0 HB2 LYS A 14 2.831 15.190 -0.999 1.00 11.02 H new ATOM 0 HB3 LYS A 14 2.160 15.339 0.613 1.00 11.02 H new ATOM 0 HG2 LYS A 14 2.370 12.564 -0.424 1.00 75.25 H new ATOM 0 HG3 LYS A 14 3.896 13.388 -0.172 1.00 75.25 H new ATOM 0 HD2 LYS A 14 2.790 14.013 2.169 1.00 73.31 H new ATOM 0 HD3 LYS A 14 1.805 12.604 1.831 1.00 73.31 H new ATOM 0 HE2 LYS A 14 3.737 11.915 3.148 1.00 31.14 H new ATOM 0 HE3 LYS A 14 3.884 11.234 1.540 1.00 31.14 H new ATOM 0 HZ1 LYS A 14 5.865 12.489 2.662 1.00 31.11 H new ATOM 0 HZ2 LYS A 14 5.588 12.627 0.993 1.00 31.11 H new ATOM 0 HZ3 LYS A 14 5.088 13.865 2.041 1.00 31.11 H new ATOM 285 N GLY A 20 -0.598 8.699 5.207 1.00 1.43 N ATOM 286 CA GLY A 20 -1.558 8.220 6.144 1.00 4.03 C ATOM 287 C GLY A 20 -1.955 6.846 5.749 1.00 15.02 C ATOM 288 O GLY A 20 -3.134 6.519 5.710 1.00 63.22 O ATOM 0 HA2 GLY A 20 -1.138 8.219 7.150 1.00 4.03 H new ATOM 0 HA3 GLY A 20 -2.429 8.875 6.163 1.00 4.03 H new ATOM 292 N ILE A 21 -0.963 6.005 5.459 1.00 52.12 N ATOM 293 CA ILE A 21 -1.208 4.632 5.136 1.00 64.12 C ATOM 294 C ILE A 21 -0.300 3.870 6.060 1.00 14.13 C ATOM 295 O ILE A 21 0.748 4.383 6.461 1.00 1.21 O ATOM 296 CB ILE A 21 -0.847 4.308 3.669 1.00 3.22 C ATOM 297 CG1 ILE A 21 -1.592 5.267 2.724 1.00 44.12 C ATOM 298 CG2 ILE A 21 -1.157 2.828 3.345 1.00 54.33 C ATOM 299 CD1 ILE A 21 -1.386 4.950 1.238 1.00 11.43 C ATOM 0 H ILE A 21 0.022 6.271 5.446 1.00 52.12 H new ATOM 0 HA ILE A 21 -2.262 4.379 5.250 1.00 64.12 H new ATOM 0 HB ILE A 21 0.223 4.453 3.522 1.00 3.22 H new ATOM 0 HG12 ILE A 21 -2.658 5.231 2.950 1.00 44.12 H new ATOM 0 HG13 ILE A 21 -1.259 6.287 2.919 1.00 44.12 H new ATOM 0 HG21 ILE A 21 -0.896 2.620 2.307 1.00 54.33 H new ATOM 0 HG22 ILE A 21 -0.575 2.182 4.002 1.00 54.33 H new ATOM 0 HG23 ILE A 21 -2.219 2.637 3.497 1.00 54.33 H new ATOM 0 HD11 ILE A 21 -1.941 5.667 0.633 1.00 11.43 H new ATOM 0 HD12 ILE A 21 -0.325 5.015 0.996 1.00 11.43 H new ATOM 0 HD13 ILE A 21 -1.745 3.943 1.028 1.00 11.43 H new ATOM 311 N CYS A 22 -0.663 2.625 6.392 1.00 55.44 N ATOM 312 CA CYS A 22 0.254 1.750 7.087 1.00 14.43 C ATOM 313 C CYS A 22 -0.067 0.420 6.524 1.00 54.53 C ATOM 314 O CYS A 22 -1.072 0.268 5.826 1.00 43.32 O ATOM 315 CB CYS A 22 0.005 1.658 8.630 1.00 34.02 C ATOM 316 SG CYS A 22 0.372 3.212 9.532 1.00 13.24 S ATOM 0 H CYS A 22 -1.575 2.216 6.189 1.00 55.44 H new ATOM 0 HA CYS A 22 1.276 2.107 6.961 1.00 14.43 H new ATOM 0 HB2 CYS A 22 -1.035 1.384 8.805 1.00 34.02 H new ATOM 0 HB3 CYS A 22 0.619 0.857 9.041 1.00 34.02 H new ATOM 0 HG CYS A 22 0.655 4.152 8.680 1.00 13.24 H new ATOM 321 N VAL A 23 0.861 -0.536 6.657 1.00 30.32 N ATOM 322 CA VAL A 23 0.817 -1.712 5.852 1.00 61.01 C ATOM 323 C VAL A 23 1.300 -2.845 6.714 1.00 72.21 C ATOM 324 O VAL A 23 1.812 -2.628 7.823 1.00 44.31 O ATOM 325 CB VAL A 23 1.728 -1.610 4.622 1.00 60.25 C ATOM 326 CG1 VAL A 23 0.985 -0.838 3.508 1.00 33.02 C ATOM 327 CG2 VAL A 23 3.048 -0.931 5.030 1.00 25.50 C ATOM 0 H VAL A 23 1.638 -0.497 7.317 1.00 30.32 H new ATOM 0 HA VAL A 23 -0.201 -1.860 5.490 1.00 61.01 H new ATOM 0 HB VAL A 23 1.973 -2.597 4.231 1.00 60.25 H new ATOM 0 HG11 VAL A 23 1.626 -0.761 2.629 1.00 33.02 H new ATOM 0 HG12 VAL A 23 0.071 -1.370 3.245 1.00 33.02 H new ATOM 0 HG13 VAL A 23 0.734 0.162 3.863 1.00 33.02 H new ATOM 0 HG21 VAL A 23 3.702 -0.855 4.161 1.00 25.50 H new ATOM 0 HG22 VAL A 23 2.840 0.067 5.416 1.00 25.50 H new ATOM 0 HG23 VAL A 23 3.539 -1.524 5.802 1.00 25.50 H new ATOM 337 N THR A 24 1.098 -4.066 6.223 1.00 52.15 N ATOM 338 CA THR A 24 1.471 -5.257 6.908 1.00 4.32 C ATOM 339 C THR A 24 1.784 -6.228 5.790 1.00 71.30 C ATOM 340 O THR A 24 1.476 -5.944 4.658 1.00 42.33 O ATOM 341 CB THR A 24 0.339 -5.796 7.797 1.00 33.20 C ATOM 342 OG1 THR A 24 0.717 -6.984 8.498 1.00 32.21 O ATOM 343 CG2 THR A 24 -0.933 -6.035 6.946 1.00 22.02 C ATOM 0 H THR A 24 0.660 -4.236 5.318 1.00 52.15 H new ATOM 0 HA THR A 24 2.308 -5.092 7.586 1.00 4.32 H new ATOM 0 HB THR A 24 0.126 -5.042 8.555 1.00 33.20 H new ATOM 0 HG1 THR A 24 -0.032 -7.290 9.051 1.00 32.21 H new ATOM 0 HG21 THR A 24 -1.731 -6.417 7.583 1.00 22.02 H new ATOM 0 HG22 THR A 24 -1.249 -5.096 6.493 1.00 22.02 H new ATOM 0 HG23 THR A 24 -0.716 -6.761 6.163 1.00 22.02 H new ATOM 351 N GLY A 25 2.430 -7.368 6.094 1.00 40.53 N ATOM 352 CA GLY A 25 2.761 -8.346 5.055 1.00 1.12 C ATOM 353 C GLY A 25 4.222 -8.606 5.138 1.00 60.32 C ATOM 354 O GLY A 25 4.907 -8.065 6.017 1.00 30.41 O ATOM 0 H GLY A 25 2.727 -7.627 7.035 1.00 40.53 H new ATOM 0 HA2 GLY A 25 2.198 -9.268 5.202 1.00 1.12 H new ATOM 0 HA3 GLY A 25 2.495 -7.964 4.070 1.00 1.12 H new ATOM 358 N GLY A 26 4.759 -9.455 4.216 1.00 31.14 N ATOM 359 CA GLY A 26 6.184 -9.649 4.155 1.00 45.14 C ATOM 360 C GLY A 26 6.499 -11.113 4.039 1.00 13.04 C ATOM 361 O GLY A 26 5.925 -11.827 3.221 1.00 54.43 O ATOM 0 H GLY A 26 4.220 -9.989 3.535 1.00 31.14 H new ATOM 0 HA2 GLY A 26 6.596 -9.111 3.301 1.00 45.14 H new ATOM 0 HA3 GLY A 26 6.654 -9.237 5.048 1.00 45.14 H new ATOM 365 N VAL A 27 7.479 -11.550 4.870 1.00 63.43 N ATOM 366 CA VAL A 27 8.188 -12.848 4.833 1.00 32.35 C ATOM 367 C VAL A 27 7.302 -14.073 5.092 1.00 12.21 C ATOM 368 O VAL A 27 7.822 -15.106 5.491 1.00 24.31 O ATOM 369 CB VAL A 27 9.357 -12.874 5.811 1.00 45.14 C ATOM 370 CG1 VAL A 27 10.395 -11.848 5.327 1.00 64.41 C ATOM 371 CG2 VAL A 27 8.835 -12.580 7.247 1.00 53.11 C ATOM 0 H VAL A 27 7.815 -10.963 5.634 1.00 63.43 H new ATOM 0 HA VAL A 27 8.545 -12.924 3.806 1.00 32.35 H new ATOM 0 HB VAL A 27 9.836 -13.852 5.848 1.00 45.14 H new ATOM 0 HG11 VAL A 27 11.246 -11.843 6.008 1.00 64.41 H new ATOM 0 HG12 VAL A 27 10.733 -12.117 4.326 1.00 64.41 H new ATOM 0 HG13 VAL A 27 9.943 -10.856 5.304 1.00 64.41 H new ATOM 0 HG21 VAL A 27 9.669 -12.598 7.948 1.00 53.11 H new ATOM 0 HG22 VAL A 27 8.364 -11.597 7.269 1.00 53.11 H new ATOM 0 HG23 VAL A 27 8.106 -13.338 7.531 1.00 53.11 H new ATOM 381 N ASN A 28 5.976 -13.959 4.936 1.00 20.03 N ATOM 382 CA ASN A 28 5.015 -14.999 5.371 1.00 73.24 C ATOM 383 C ASN A 28 4.713 -14.729 6.801 1.00 63.11 C ATOM 384 O ASN A 28 5.049 -15.474 7.714 1.00 14.14 O ATOM 385 CB ASN A 28 5.398 -16.502 5.153 1.00 23.13 C ATOM 386 CG ASN A 28 4.163 -17.384 5.399 1.00 54.34 C ATOM 387 OD1 ASN A 28 3.031 -16.905 5.443 1.00 43.31 O ATOM 388 ND2 ASN A 28 4.375 -18.697 5.561 1.00 70.21 N ATOM 0 H ASN A 28 5.533 -13.147 4.506 1.00 20.03 H new ATOM 0 HA ASN A 28 4.153 -14.904 4.710 1.00 73.24 H new ATOM 0 HB2 ASN A 28 5.769 -16.651 4.139 1.00 23.13 H new ATOM 0 HB3 ASN A 28 6.202 -16.786 5.831 1.00 23.13 H new ATOM 0 HD21 ASN A 28 3.588 -19.324 5.725 1.00 70.21 H new ATOM 0 HD22 ASN A 28 5.324 -19.069 5.520 1.00 70.21 H new ATOM 395 N THR A 29 4.087 -13.589 6.967 1.00 63.14 N ATOM 396 CA THR A 29 3.595 -13.108 8.211 1.00 31.44 C ATOM 397 C THR A 29 2.134 -13.521 8.200 1.00 43.32 C ATOM 398 O THR A 29 1.770 -14.418 7.444 1.00 64.04 O ATOM 399 CB THR A 29 3.792 -11.603 8.416 1.00 63.13 C ATOM 400 OG1 THR A 29 3.456 -11.186 9.747 1.00 2.24 O ATOM 401 CG2 THR A 29 2.976 -10.811 7.377 1.00 52.42 C ATOM 0 H THR A 29 3.904 -12.950 6.194 1.00 63.14 H new ATOM 0 HA THR A 29 4.144 -13.527 9.054 1.00 31.44 H new ATOM 0 HB THR A 29 4.852 -11.392 8.274 1.00 63.13 H new ATOM 0 HG1 THR A 29 2.703 -10.560 9.713 1.00 2.24 H new ATOM 0 HG21 THR A 29 3.125 -9.743 7.534 1.00 52.42 H new ATOM 0 HG22 THR A 29 3.306 -11.080 6.374 1.00 52.42 H new ATOM 0 HG23 THR A 29 1.918 -11.049 7.487 1.00 52.42 H new ATOM 409 N SER A 30 1.312 -12.943 9.100 1.00 2.44 N ATOM 410 CA SER A 30 -0.129 -13.206 9.251 1.00 52.20 C ATOM 411 C SER A 30 -0.800 -13.655 7.945 1.00 52.02 C ATOM 412 O SER A 30 -1.517 -14.656 7.928 1.00 45.42 O ATOM 413 CB SER A 30 -0.861 -11.938 9.718 1.00 12.23 C ATOM 414 OG SER A 30 -0.115 -11.290 10.759 1.00 21.12 O ATOM 0 H SER A 30 1.651 -12.251 9.768 1.00 2.44 H new ATOM 0 HA SER A 30 -0.203 -14.009 9.984 1.00 52.20 H new ATOM 0 HB2 SER A 30 -0.995 -11.256 8.878 1.00 12.23 H new ATOM 0 HB3 SER A 30 -1.856 -12.196 10.080 1.00 12.23 H new ATOM 0 HG SER A 30 -0.590 -10.483 11.048 1.00 21.12 H new ATOM 420 N VAL A 31 -0.570 -12.913 6.831 1.00 33.33 N ATOM 421 CA VAL A 31 -1.215 -13.220 5.579 1.00 75.53 C ATOM 422 C VAL A 31 -0.343 -14.230 4.829 1.00 0.25 C ATOM 423 O VAL A 31 0.865 -14.040 4.667 1.00 54.03 O ATOM 424 CB VAL A 31 -1.446 -11.986 4.704 1.00 63.42 C ATOM 425 CG1 VAL A 31 -2.580 -11.160 5.343 1.00 31.42 C ATOM 426 CG2 VAL A 31 -0.124 -11.173 4.572 1.00 44.40 C ATOM 0 H VAL A 31 0.057 -12.109 6.799 1.00 33.33 H new ATOM 0 HA VAL A 31 -2.201 -13.629 5.799 1.00 75.53 H new ATOM 0 HB VAL A 31 -1.742 -12.268 3.694 1.00 63.42 H new ATOM 0 HG11 VAL A 31 -2.768 -10.272 4.740 1.00 31.42 H new ATOM 0 HG12 VAL A 31 -3.486 -11.763 5.392 1.00 31.42 H new ATOM 0 HG13 VAL A 31 -2.289 -10.860 6.350 1.00 31.42 H new ATOM 0 HG21 VAL A 31 -0.297 -10.296 3.948 1.00 44.40 H new ATOM 0 HG22 VAL A 31 0.208 -10.855 5.560 1.00 44.40 H new ATOM 0 HG23 VAL A 31 0.643 -11.798 4.115 1.00 44.40 H new ATOM 436 N ARG A 32 -0.972 -15.334 4.354 1.00 60.54 N ATOM 437 CA ARG A 32 -0.251 -16.398 3.660 1.00 60.23 C ATOM 438 C ARG A 32 0.074 -15.901 2.272 1.00 15.55 C ATOM 439 O ARG A 32 1.070 -16.296 1.667 1.00 50.14 O ATOM 440 CB ARG A 32 -1.078 -17.718 3.524 1.00 63.35 C ATOM 441 CG ARG A 32 -0.258 -18.925 3.024 1.00 43.40 C ATOM 442 CD ARG A 32 0.837 -19.368 4.023 1.00 74.03 C ATOM 443 NE ARG A 32 1.762 -20.333 3.335 1.00 40.25 N ATOM 444 CZ ARG A 32 1.547 -21.704 3.324 1.00 61.43 C ATOM 445 NH1 ARG A 32 0.403 -22.240 3.848 1.00 4.34 N ATOM 446 NH2 ARG A 32 2.492 -22.516 2.782 1.00 21.22 N ATOM 0 H ARG A 32 -1.975 -15.498 4.445 1.00 60.54 H new ATOM 0 HA ARG A 32 0.638 -16.633 4.245 1.00 60.23 H new ATOM 0 HB2 ARG A 32 -1.512 -17.964 4.493 1.00 63.35 H new ATOM 0 HB3 ARG A 32 -1.907 -17.546 2.838 1.00 63.35 H new ATOM 0 HG2 ARG A 32 -0.931 -19.762 2.837 1.00 43.40 H new ATOM 0 HG3 ARG A 32 0.208 -18.671 2.072 1.00 43.40 H new ATOM 0 HD2 ARG A 32 1.394 -18.502 4.381 1.00 74.03 H new ATOM 0 HD3 ARG A 32 0.383 -19.838 4.896 1.00 74.03 H new ATOM 0 HE ARG A 32 2.583 -19.964 2.856 1.00 40.25 H new ATOM 0 HH11 ARG A 32 -0.306 -21.630 4.254 1.00 4.34 H new ATOM 0 HH12 ARG A 32 0.259 -23.250 3.833 1.00 4.34 H new ATOM 0 HH21 ARG A 32 3.345 -22.116 2.391 1.00 21.22 H new ATOM 0 HH22 ARG A 32 2.349 -23.526 2.766 1.00 21.22 H new ATOM 460 N HIS A 33 -0.762 -14.967 1.755 1.00 23.21 N ATOM 461 CA HIS A 33 -0.554 -14.351 0.435 1.00 54.23 C ATOM 462 C HIS A 33 0.754 -13.572 0.467 1.00 31.03 C ATOM 463 O HIS A 33 1.322 -13.270 -0.556 1.00 25.31 O ATOM 464 CB HIS A 33 -1.717 -13.371 0.060 1.00 52.32 C ATOM 465 CG HIS A 33 -1.683 -12.798 -1.351 1.00 71.34 C ATOM 466 ND1 HIS A 33 -1.516 -13.578 -2.461 1.00 51.02 N ATOM 467 CD2 HIS A 33 -1.939 -11.539 -1.788 1.00 30.45 C ATOM 468 CE1 HIS A 33 -1.662 -12.811 -3.542 1.00 73.31 C ATOM 469 NE2 HIS A 33 -1.929 -11.565 -3.154 1.00 23.23 N ATOM 0 H HIS A 33 -1.591 -14.626 2.242 1.00 23.21 H new ATOM 0 HA HIS A 33 -0.527 -15.143 -0.313 1.00 54.23 H new ATOM 0 HB2 HIS A 33 -2.663 -13.895 0.195 1.00 52.32 H new ATOM 0 HB3 HIS A 33 -1.708 -12.542 0.767 1.00 52.32 H new ATOM 0 HD2 HIS A 33 -2.118 -10.673 -1.168 1.00 30.45 H new ATOM 0 HE1 HIS A 33 -1.578 -13.146 -4.565 1.00 73.31 H new ATOM 0 HE2 HIS A 33 -2.097 -10.769 -3.769 1.00 23.23 H new ATOM 478 N GLY A 34 1.253 -13.272 1.709 1.00 4.45 N ATOM 479 CA GLY A 34 2.555 -12.600 1.933 1.00 2.43 C ATOM 480 C GLY A 34 2.531 -11.178 1.435 1.00 53.45 C ATOM 481 O GLY A 34 3.503 -10.435 1.608 1.00 60.45 O ATOM 0 H GLY A 34 0.757 -13.493 2.573 1.00 4.45 H new ATOM 0 HA2 GLY A 34 2.794 -12.611 2.996 1.00 2.43 H new ATOM 0 HA3 GLY A 34 3.344 -13.153 1.423 1.00 2.43 H new ATOM 485 N GLY A 35 1.428 -10.789 0.784 1.00 42.34 N ATOM 486 CA GLY A 35 1.335 -9.524 0.123 1.00 34.40 C ATOM 487 C GLY A 35 1.328 -8.450 1.139 1.00 22.52 C ATOM 488 O GLY A 35 0.920 -8.664 2.286 1.00 35.22 O ATOM 0 H GLY A 35 0.585 -11.358 0.713 1.00 42.34 H new ATOM 0 HA2 GLY A 35 2.176 -9.392 -0.558 1.00 34.40 H new ATOM 0 HA3 GLY A 35 0.427 -9.479 -0.479 1.00 34.40 H new ATOM 492 N ILE A 36 1.789 -7.259 0.735 1.00 52.25 N ATOM 493 CA ILE A 36 1.836 -6.150 1.619 1.00 60.41 C ATOM 494 C ILE A 36 0.449 -5.545 1.600 1.00 41.55 C ATOM 495 O ILE A 36 0.103 -4.819 0.695 1.00 60.31 O ATOM 496 CB ILE A 36 2.860 -5.101 1.192 1.00 22.21 C ATOM 497 CG1 ILE A 36 4.261 -5.735 0.967 1.00 63.03 C ATOM 498 CG2 ILE A 36 2.876 -3.964 2.219 1.00 61.53 C ATOM 499 CD1 ILE A 36 4.847 -6.439 2.199 1.00 24.44 C ATOM 0 H ILE A 36 2.130 -7.066 -0.207 1.00 52.25 H new ATOM 0 HA ILE A 36 2.139 -6.481 2.612 1.00 60.41 H new ATOM 0 HB ILE A 36 2.572 -4.679 0.229 1.00 22.21 H new ATOM 0 HG12 ILE A 36 4.193 -6.455 0.151 1.00 63.03 H new ATOM 0 HG13 ILE A 36 4.952 -4.955 0.647 1.00 63.03 H new ATOM 0 HG21 ILE A 36 3.606 -3.212 1.918 1.00 61.53 H new ATOM 0 HG22 ILE A 36 1.887 -3.508 2.273 1.00 61.53 H new ATOM 0 HG23 ILE A 36 3.146 -4.361 3.197 1.00 61.53 H new ATOM 0 HD11 ILE A 36 5.825 -6.852 1.951 1.00 24.44 H new ATOM 0 HD12 ILE A 36 4.951 -5.721 3.013 1.00 24.44 H new ATOM 0 HD13 ILE A 36 4.181 -7.245 2.509 1.00 24.44 H new ATOM 511 N TYR A 37 -0.386 -5.878 2.584 1.00 14.22 N ATOM 512 CA TYR A 37 -1.740 -5.379 2.586 1.00 11.50 C ATOM 513 C TYR A 37 -1.732 -4.079 3.286 1.00 63.34 C ATOM 514 O TYR A 37 -0.980 -3.871 4.242 1.00 43.54 O ATOM 515 CB TYR A 37 -2.772 -6.277 3.322 1.00 14.34 C ATOM 516 CG TYR A 37 -3.103 -7.442 2.440 1.00 30.33 C ATOM 517 CD1 TYR A 37 -2.290 -8.593 2.432 1.00 73.02 C ATOM 518 CD2 TYR A 37 -4.248 -7.403 1.601 1.00 24.13 C ATOM 519 CE1 TYR A 37 -2.606 -9.685 1.606 1.00 11.44 C ATOM 520 CE2 TYR A 37 -4.571 -8.498 0.784 1.00 13.34 C ATOM 521 CZ TYR A 37 -3.750 -9.642 0.785 1.00 62.33 C ATOM 522 OH TYR A 37 -4.073 -10.745 -0.029 1.00 23.13 O ATOM 0 H TYR A 37 -0.145 -6.480 3.371 1.00 14.22 H new ATOM 0 HA TYR A 37 -2.048 -5.331 1.542 1.00 11.50 H new ATOM 0 HB2 TYR A 37 -2.363 -6.624 4.271 1.00 14.34 H new ATOM 0 HB3 TYR A 37 -3.673 -5.708 3.552 1.00 14.34 H new ATOM 0 HD1 TYR A 37 -1.417 -8.636 3.066 1.00 73.02 H new ATOM 0 HD2 TYR A 37 -4.875 -6.524 1.591 1.00 24.13 H new ATOM 0 HE1 TYR A 37 -1.971 -10.559 1.601 1.00 11.44 H new ATOM 0 HE2 TYR A 37 -5.448 -8.463 0.155 1.00 13.34 H new ATOM 0 HH TYR A 37 -4.892 -10.552 -0.531 1.00 23.13 H new ATOM 532 N VAL A 38 -2.599 -3.174 2.828 1.00 24.23 N ATOM 533 CA VAL A 38 -2.836 -1.936 3.489 1.00 65.55 C ATOM 534 C VAL A 38 -3.559 -2.284 4.771 1.00 1.24 C ATOM 535 O VAL A 38 -4.489 -3.099 4.771 1.00 15.13 O ATOM 536 CB VAL A 38 -3.677 -1.005 2.633 1.00 23.40 C ATOM 537 CG1 VAL A 38 -3.988 0.279 3.399 1.00 34.44 C ATOM 538 CG2 VAL A 38 -2.902 -0.736 1.320 1.00 23.32 C ATOM 0 H VAL A 38 -3.150 -3.302 1.979 1.00 24.23 H new ATOM 0 HA VAL A 38 -1.901 -1.410 3.684 1.00 65.55 H new ATOM 0 HB VAL A 38 -4.637 -1.458 2.388 1.00 23.40 H new ATOM 0 HG11 VAL A 38 -4.591 0.938 2.775 1.00 34.44 H new ATOM 0 HG12 VAL A 38 -4.538 0.036 4.308 1.00 34.44 H new ATOM 0 HG13 VAL A 38 -3.057 0.781 3.662 1.00 34.44 H new ATOM 0 HG21 VAL A 38 -3.484 -0.069 0.684 1.00 23.32 H new ATOM 0 HG22 VAL A 38 -1.943 -0.272 1.552 1.00 23.32 H new ATOM 0 HG23 VAL A 38 -2.732 -1.678 0.798 1.00 23.32 H new ATOM 548 N LYS A 39 -3.068 -1.730 5.897 1.00 15.03 N ATOM 549 CA LYS A 39 -3.486 -2.170 7.206 1.00 34.40 C ATOM 550 C LYS A 39 -4.346 -1.092 7.779 1.00 30.11 C ATOM 551 O LYS A 39 -5.319 -1.360 8.497 1.00 61.34 O ATOM 552 CB LYS A 39 -2.272 -2.353 8.164 1.00 54.10 C ATOM 553 CG LYS A 39 -2.572 -3.229 9.405 1.00 1.31 C ATOM 554 CD LYS A 39 -1.385 -3.353 10.394 1.00 64.12 C ATOM 555 CE LYS A 39 -1.155 -2.107 11.281 1.00 70.35 C ATOM 556 NZ LYS A 39 -2.294 -1.897 12.194 1.00 53.30 N ATOM 0 H LYS A 39 -2.381 -0.976 5.907 1.00 15.03 H new ATOM 0 HA LYS A 39 -4.004 -3.124 7.110 1.00 34.40 H new ATOM 0 HB2 LYS A 39 -1.448 -2.800 7.608 1.00 54.10 H new ATOM 0 HB3 LYS A 39 -1.935 -1.372 8.498 1.00 54.10 H new ATOM 0 HG2 LYS A 39 -3.429 -2.811 9.933 1.00 1.31 H new ATOM 0 HG3 LYS A 39 -2.859 -4.226 9.072 1.00 1.31 H new ATOM 0 HD2 LYS A 39 -1.554 -4.216 11.038 1.00 64.12 H new ATOM 0 HD3 LYS A 39 -0.476 -3.552 9.827 1.00 64.12 H new ATOM 0 HE2 LYS A 39 -0.238 -2.230 11.858 1.00 70.35 H new ATOM 0 HE3 LYS A 39 -1.020 -1.227 10.652 1.00 70.35 H new ATOM 0 HZ1 LYS A 39 -2.032 -1.202 12.922 1.00 53.30 H new ATOM 0 HZ2 LYS A 39 -3.110 -1.543 11.655 1.00 53.30 H new ATOM 0 HZ3 LYS A 39 -2.545 -2.798 12.649 1.00 53.30 H new ATOM 570 N ALA A 40 -3.985 0.167 7.497 1.00 60.22 N ATOM 571 CA ALA A 40 -4.681 1.261 8.094 1.00 71.31 C ATOM 572 C ALA A 40 -4.612 2.382 7.143 1.00 53.13 C ATOM 573 O ALA A 40 -3.660 2.488 6.358 1.00 70.32 O ATOM 574 CB ALA A 40 -4.057 1.755 9.411 1.00 73.11 C ATOM 0 H ALA A 40 -3.226 0.427 6.868 1.00 60.22 H new ATOM 0 HA ALA A 40 -5.692 0.921 8.318 1.00 71.31 H new ATOM 0 HB1 ALA A 40 -4.643 2.587 9.802 1.00 73.11 H new ATOM 0 HB2 ALA A 40 -4.051 0.943 10.138 1.00 73.11 H new ATOM 0 HB3 ALA A 40 -3.035 2.086 9.228 1.00 73.11 H new ATOM 580 N VAL A 41 -5.631 3.241 7.202 1.00 71.24 N ATOM 581 CA VAL A 41 -5.660 4.443 6.449 1.00 63.31 C ATOM 582 C VAL A 41 -6.039 5.512 7.446 1.00 43.20 C ATOM 583 O VAL A 41 -7.023 5.369 8.178 1.00 53.41 O ATOM 584 CB VAL A 41 -6.685 4.433 5.317 1.00 43.44 C ATOM 585 CG1 VAL A 41 -6.491 5.704 4.466 1.00 70.04 C ATOM 586 CG2 VAL A 41 -6.498 3.135 4.497 1.00 2.44 C ATOM 0 H VAL A 41 -6.455 3.098 7.786 1.00 71.24 H new ATOM 0 HA VAL A 41 -4.695 4.599 5.968 1.00 63.31 H new ATOM 0 HB VAL A 41 -7.707 4.442 5.696 1.00 43.44 H new ATOM 0 HG11 VAL A 41 -7.216 5.711 3.653 1.00 70.04 H new ATOM 0 HG12 VAL A 41 -6.637 6.586 5.090 1.00 70.04 H new ATOM 0 HG13 VAL A 41 -5.482 5.715 4.053 1.00 70.04 H new ATOM 0 HG21 VAL A 41 -7.223 3.111 3.683 1.00 2.44 H new ATOM 0 HG22 VAL A 41 -5.489 3.107 4.085 1.00 2.44 H new ATOM 0 HG23 VAL A 41 -6.650 2.271 5.144 1.00 2.44 H new ATOM 596 N ILE A 42 -5.249 6.593 7.499 1.00 51.52 N ATOM 597 CA ILE A 42 -5.502 7.690 8.418 1.00 2.31 C ATOM 598 C ILE A 42 -6.766 8.398 7.948 1.00 0.34 C ATOM 599 O ILE A 42 -6.931 8.659 6.751 1.00 54.53 O ATOM 600 CB ILE A 42 -4.353 8.679 8.460 1.00 52.24 C ATOM 601 CG1 ILE A 42 -3.147 7.986 9.129 1.00 44.04 C ATOM 602 CG2 ILE A 42 -4.778 9.998 9.182 1.00 21.42 C ATOM 603 CD1 ILE A 42 -2.041 8.942 9.486 1.00 42.44 C ATOM 0 H ILE A 42 -4.427 6.723 6.909 1.00 51.52 H new ATOM 0 HA ILE A 42 -5.614 7.290 9.426 1.00 2.31 H new ATOM 0 HB ILE A 42 -4.065 8.977 7.452 1.00 52.24 H new ATOM 0 HG12 ILE A 42 -3.483 7.475 10.031 1.00 44.04 H new ATOM 0 HG13 ILE A 42 -2.756 7.222 8.457 1.00 44.04 H new ATOM 0 HG21 ILE A 42 -3.937 10.691 9.199 1.00 21.42 H new ATOM 0 HG22 ILE A 42 -5.612 10.453 8.647 1.00 21.42 H new ATOM 0 HG23 ILE A 42 -5.082 9.772 10.204 1.00 21.42 H new ATOM 0 HD11 ILE A 42 -1.223 8.394 9.953 1.00 42.44 H new ATOM 0 HD12 ILE A 42 -1.680 9.434 8.583 1.00 42.44 H new ATOM 0 HD13 ILE A 42 -2.418 9.692 10.181 1.00 42.44 H new ATOM 615 N PRO A 43 -7.666 8.731 8.913 1.00 60.11 N ATOM 616 CA PRO A 43 -8.847 9.527 8.643 1.00 33.14 C ATOM 617 C PRO A 43 -8.412 10.891 8.154 1.00 21.33 C ATOM 618 O PRO A 43 -7.854 11.667 8.938 1.00 14.11 O ATOM 619 CB PRO A 43 -9.603 9.602 9.988 1.00 41.21 C ATOM 620 CG PRO A 43 -8.530 9.303 11.051 1.00 40.24 C ATOM 621 CD PRO A 43 -7.567 8.350 10.333 1.00 71.15 C ATOM 0 HA PRO A 43 -9.491 9.105 7.872 1.00 33.14 H new ATOM 0 HB2 PRO A 43 -10.048 10.586 10.139 1.00 41.21 H new ATOM 0 HB3 PRO A 43 -10.415 8.876 10.028 1.00 41.21 H new ATOM 0 HG2 PRO A 43 -8.025 10.212 11.378 1.00 40.24 H new ATOM 0 HG3 PRO A 43 -8.963 8.842 11.939 1.00 40.24 H new ATOM 0 HD2 PRO A 43 -6.548 8.461 10.704 1.00 71.15 H new ATOM 0 HD3 PRO A 43 -7.851 7.309 10.486 1.00 71.15 H new ATOM 629 N GLN A 44 -8.670 11.165 6.869 1.00 5.40 N ATOM 630 CA GLN A 44 -8.367 12.429 6.230 1.00 21.24 C ATOM 631 C GLN A 44 -6.891 12.550 5.970 1.00 42.31 C ATOM 632 O GLN A 44 -6.382 13.653 5.749 1.00 61.15 O ATOM 633 CB GLN A 44 -8.888 13.683 6.963 1.00 33.50 C ATOM 634 CG GLN A 44 -10.396 13.629 7.195 1.00 64.02 C ATOM 635 CD GLN A 44 -10.810 14.891 7.911 1.00 74.35 C ATOM 636 OE1 GLN A 44 -10.463 16.002 7.497 1.00 34.43 O ATOM 637 NE2 GLN A 44 -11.562 14.749 9.002 1.00 52.01 N ATOM 0 H GLN A 44 -9.106 10.491 6.240 1.00 5.40 H new ATOM 0 HA GLN A 44 -8.917 12.403 5.289 1.00 21.24 H new ATOM 0 HB2 GLN A 44 -8.378 13.780 7.921 1.00 33.50 H new ATOM 0 HB3 GLN A 44 -8.643 14.571 6.380 1.00 33.50 H new ATOM 0 HG2 GLN A 44 -10.923 13.541 6.245 1.00 64.02 H new ATOM 0 HG3 GLN A 44 -10.658 12.753 7.788 1.00 64.02 H new ATOM 0 HE21 GLN A 44 -11.832 13.817 9.318 1.00 52.01 H new ATOM 0 HE22 GLN A 44 -11.868 15.572 9.521 1.00 52.01 H new ATOM 646 N GLY A 45 -6.163 11.410 5.924 1.00 61.41 N ATOM 647 CA GLY A 45 -4.825 11.425 5.376 1.00 50.23 C ATOM 648 C GLY A 45 -4.962 11.553 3.874 1.00 34.12 C ATOM 649 O GLY A 45 -6.082 11.594 3.332 1.00 33.05 O ATOM 0 H GLY A 45 -6.485 10.501 6.255 1.00 61.41 H new ATOM 0 HA2 GLY A 45 -4.251 12.258 5.783 1.00 50.23 H new ATOM 0 HA3 GLY A 45 -4.291 10.512 5.638 1.00 50.23 H new ATOM 653 N ALA A 46 -3.815 11.602 3.159 1.00 52.12 N ATOM 654 CA ALA A 46 -3.816 11.817 1.716 1.00 61.34 C ATOM 655 C ALA A 46 -4.521 10.674 1.057 1.00 74.04 C ATOM 656 O ALA A 46 -5.283 10.867 0.120 1.00 13.24 O ATOM 657 CB ALA A 46 -2.396 11.894 1.099 1.00 44.53 C ATOM 0 H ALA A 46 -2.886 11.495 3.567 1.00 52.12 H new ATOM 0 HA ALA A 46 -4.311 12.774 1.549 1.00 61.34 H new ATOM 0 HB1 ALA A 46 -2.475 12.055 0.024 1.00 44.53 H new ATOM 0 HB2 ALA A 46 -1.847 12.721 1.551 1.00 44.53 H new ATOM 0 HB3 ALA A 46 -1.866 10.961 1.288 1.00 44.53 H new ATOM 663 N ALA A 47 -4.263 9.451 1.555 1.00 45.33 N ATOM 664 CA ALA A 47 -4.787 8.245 0.940 1.00 64.14 C ATOM 665 C ALA A 47 -6.283 8.210 1.060 1.00 52.25 C ATOM 666 O ALA A 47 -6.970 7.942 0.090 1.00 42.32 O ATOM 667 CB ALA A 47 -4.231 6.969 1.571 1.00 3.34 C ATOM 0 H ALA A 47 -3.692 9.285 2.384 1.00 45.33 H new ATOM 0 HA ALA A 47 -4.477 8.276 -0.105 1.00 64.14 H new ATOM 0 HB1 ALA A 47 -4.658 6.100 1.071 1.00 3.34 H new ATOM 0 HB2 ALA A 47 -3.146 6.953 1.464 1.00 3.34 H new ATOM 0 HB3 ALA A 47 -4.491 6.943 2.629 1.00 3.34 H new ATOM 673 N GLU A 48 -6.827 8.477 2.270 1.00 61.21 N ATOM 674 CA GLU A 48 -8.276 8.406 2.465 1.00 3.25 C ATOM 675 C GLU A 48 -8.944 9.448 1.606 1.00 24.21 C ATOM 676 O GLU A 48 -10.006 9.201 1.034 1.00 64.51 O ATOM 677 CB GLU A 48 -8.741 8.633 3.914 1.00 33.21 C ATOM 678 CG GLU A 48 -10.209 8.228 4.121 1.00 3.20 C ATOM 679 CD GLU A 48 -10.582 8.519 5.532 1.00 4.14 C ATOM 680 OE1 GLU A 48 -10.777 9.712 5.852 1.00 14.30 O ATOM 681 OE2 GLU A 48 -10.690 7.560 6.333 1.00 43.22 O ATOM 0 H GLU A 48 -6.293 8.736 3.100 1.00 61.21 H new ATOM 0 HA GLU A 48 -8.556 7.389 2.192 1.00 3.25 H new ATOM 0 HB2 GLU A 48 -8.108 8.059 4.591 1.00 33.21 H new ATOM 0 HB3 GLU A 48 -8.615 9.684 4.174 1.00 33.21 H new ATOM 0 HG2 GLU A 48 -10.854 8.779 3.437 1.00 3.20 H new ATOM 0 HG3 GLU A 48 -10.344 7.168 3.904 1.00 3.20 H new ATOM 688 N SER A 49 -8.311 10.634 1.493 1.00 3.50 N ATOM 689 CA SER A 49 -8.852 11.740 0.724 1.00 10.11 C ATOM 690 C SER A 49 -8.905 11.314 -0.743 1.00 62.32 C ATOM 691 O SER A 49 -9.851 11.638 -1.475 1.00 31.10 O ATOM 692 CB SER A 49 -7.944 13.004 0.848 1.00 63.23 C ATOM 693 OG SER A 49 -8.533 14.153 0.233 1.00 70.01 O ATOM 0 H SER A 49 -7.415 10.837 1.936 1.00 3.50 H new ATOM 0 HA SER A 49 -9.844 11.989 1.102 1.00 10.11 H new ATOM 0 HB2 SER A 49 -7.757 13.213 1.901 1.00 63.23 H new ATOM 0 HB3 SER A 49 -6.977 12.802 0.386 1.00 63.23 H new ATOM 0 HG SER A 49 -7.934 14.922 0.334 1.00 70.01 H new ATOM 699 N ASP A 50 -7.876 10.554 -1.170 1.00 63.45 N ATOM 700 CA ASP A 50 -7.765 10.079 -2.548 1.00 43.34 C ATOM 701 C ASP A 50 -8.870 9.070 -2.776 1.00 11.54 C ATOM 702 O ASP A 50 -9.618 9.139 -3.757 1.00 61.53 O ATOM 703 CB ASP A 50 -6.396 9.403 -2.837 1.00 2.23 C ATOM 704 CG ASP A 50 -6.272 9.160 -4.320 1.00 64.32 C ATOM 705 OD1 ASP A 50 -6.884 8.210 -4.821 1.00 3.44 O ATOM 706 OD2 ASP A 50 -5.565 9.936 -4.999 1.00 72.11 O ATOM 0 H ASP A 50 -7.108 10.259 -0.567 1.00 63.45 H new ATOM 0 HA ASP A 50 -7.848 10.936 -3.217 1.00 43.34 H new ATOM 0 HB2 ASP A 50 -5.581 10.039 -2.490 1.00 2.23 H new ATOM 0 HB3 ASP A 50 -6.319 8.461 -2.293 1.00 2.23 H new ATOM 711 N GLY A 51 -9.029 8.144 -1.819 1.00 51.25 N ATOM 712 CA GLY A 51 -10.140 7.212 -1.837 1.00 33.05 C ATOM 713 C GLY A 51 -9.850 6.032 -2.716 1.00 60.32 C ATOM 714 O GLY A 51 -10.584 5.046 -2.677 1.00 63.11 O ATOM 0 H GLY A 51 -8.396 8.029 -1.027 1.00 51.25 H new ATOM 0 HA2 GLY A 51 -10.347 6.870 -0.823 1.00 33.05 H new ATOM 0 HA3 GLY A 51 -11.037 7.720 -2.191 1.00 33.05 H new ATOM 718 N ARG A 52 -8.801 6.095 -3.553 1.00 13.41 N ATOM 719 CA ARG A 52 -8.528 5.001 -4.467 1.00 44.22 C ATOM 720 C ARG A 52 -7.956 3.844 -3.671 1.00 53.32 C ATOM 721 O ARG A 52 -8.342 2.692 -3.876 1.00 3.32 O ATOM 722 CB ARG A 52 -7.576 5.392 -5.632 1.00 72.11 C ATOM 723 CG ARG A 52 -7.324 4.266 -6.645 1.00 41.40 C ATOM 724 CD ARG A 52 -7.062 4.756 -8.090 1.00 22.54 C ATOM 725 NE ARG A 52 -6.035 5.869 -8.080 1.00 24.43 N ATOM 726 CZ ARG A 52 -5.241 6.133 -9.202 1.00 72.33 C ATOM 727 NH1 ARG A 52 -5.325 5.358 -10.320 1.00 44.01 N ATOM 728 NH2 ARG A 52 -4.374 7.173 -9.184 1.00 25.43 N ATOM 0 H ARG A 52 -8.149 6.877 -3.608 1.00 13.41 H new ATOM 0 HA ARG A 52 -9.467 4.717 -4.942 1.00 44.22 H new ATOM 0 HB2 ARG A 52 -7.996 6.250 -6.157 1.00 72.11 H new ATOM 0 HB3 ARG A 52 -6.621 5.710 -5.214 1.00 72.11 H new ATOM 0 HG2 ARG A 52 -6.468 3.679 -6.312 1.00 41.40 H new ATOM 0 HG3 ARG A 52 -8.186 3.599 -6.651 1.00 41.40 H new ATOM 0 HD2 ARG A 52 -6.708 3.929 -8.705 1.00 22.54 H new ATOM 0 HD3 ARG A 52 -7.991 5.111 -8.537 1.00 22.54 H new ATOM 0 HE ARG A 52 -5.920 6.437 -7.240 1.00 24.43 H new ATOM 0 HH11 ARG A 52 -5.974 4.572 -10.348 1.00 44.01 H new ATOM 0 HH12 ARG A 52 -4.739 5.565 -11.129 1.00 44.01 H new ATOM 0 HH21 ARG A 52 -4.301 7.762 -8.354 1.00 25.43 H new ATOM 0 HH22 ARG A 52 -3.794 7.368 -10.000 1.00 25.43 H new ATOM 742 N ILE A 53 -7.054 4.142 -2.718 1.00 75.51 N ATOM 743 CA ILE A 53 -6.461 3.096 -1.902 1.00 72.04 C ATOM 744 C ILE A 53 -7.220 3.075 -0.588 1.00 51.13 C ATOM 745 O ILE A 53 -7.516 4.129 -0.011 1.00 14.11 O ATOM 746 CB ILE A 53 -4.980 3.289 -1.663 1.00 11.34 C ATOM 747 CG1 ILE A 53 -4.279 3.306 -3.035 1.00 45.33 C ATOM 748 CG2 ILE A 53 -4.449 2.158 -0.739 1.00 40.51 C ATOM 749 CD1 ILE A 53 -2.777 3.407 -2.940 1.00 44.31 C ATOM 0 H ILE A 53 -6.731 5.086 -2.505 1.00 75.51 H new ATOM 0 HA ILE A 53 -6.542 2.145 -2.429 1.00 72.04 H new ATOM 0 HB ILE A 53 -4.776 4.232 -1.156 1.00 11.34 H new ATOM 0 HG12 ILE A 53 -4.541 2.399 -3.580 1.00 45.33 H new ATOM 0 HG13 ILE A 53 -4.656 4.147 -3.617 1.00 45.33 H new ATOM 0 HG21 ILE A 53 -3.382 2.299 -0.568 1.00 40.51 H new ATOM 0 HG22 ILE A 53 -4.976 2.189 0.214 1.00 40.51 H new ATOM 0 HG23 ILE A 53 -4.616 1.191 -1.214 1.00 40.51 H new ATOM 0 HD11 ILE A 53 -2.349 3.414 -3.942 1.00 44.31 H new ATOM 0 HD12 ILE A 53 -2.506 4.328 -2.423 1.00 44.31 H new ATOM 0 HD13 ILE A 53 -2.389 2.552 -2.386 1.00 44.31 H new ATOM 761 N HIS A 54 -7.568 1.859 -0.111 1.00 4.30 N ATOM 762 CA HIS A 54 -8.249 1.690 1.154 1.00 53.34 C ATOM 763 C HIS A 54 -7.553 0.552 1.837 1.00 64.02 C ATOM 764 O HIS A 54 -6.609 -0.027 1.307 1.00 4.13 O ATOM 765 CB HIS A 54 -9.738 1.245 1.025 1.00 3.42 C ATOM 766 CG HIS A 54 -10.666 2.269 0.448 1.00 25.34 C ATOM 767 ND1 HIS A 54 -10.911 3.480 1.046 1.00 54.30 N ATOM 768 CD2 HIS A 54 -11.478 2.179 -0.614 1.00 21.15 C ATOM 769 CE1 HIS A 54 -11.851 4.104 0.347 1.00 62.33 C ATOM 770 NE2 HIS A 54 -12.214 3.320 -0.662 1.00 63.45 N ATOM 0 H HIS A 54 -7.378 0.985 -0.601 1.00 4.30 H new ATOM 0 HA HIS A 54 -8.229 2.649 1.672 1.00 53.34 H new ATOM 0 HB2 HIS A 54 -9.780 0.350 0.404 1.00 3.42 H new ATOM 0 HB3 HIS A 54 -10.103 0.964 2.013 1.00 3.42 H new ATOM 0 HD2 HIS A 54 -11.537 1.351 -1.305 1.00 21.15 H new ATOM 0 HE1 HIS A 54 -12.253 5.083 0.562 1.00 62.33 H new ATOM 0 HE2 HIS A 54 -12.927 3.538 -1.358 1.00 63.45 H new ATOM 779 N LYS A 55 -8.046 0.185 3.050 1.00 50.44 N ATOM 780 CA LYS A 55 -7.601 -1.011 3.737 1.00 60.10 C ATOM 781 C LYS A 55 -8.076 -2.163 2.904 1.00 14.34 C ATOM 782 O LYS A 55 -9.177 -2.112 2.361 1.00 40.44 O ATOM 783 CB LYS A 55 -8.215 -1.137 5.175 1.00 21.31 C ATOM 784 CG LYS A 55 -7.463 -2.088 6.147 1.00 3.04 C ATOM 785 CD LYS A 55 -7.732 -3.614 6.017 1.00 42.32 C ATOM 786 CE LYS A 55 -8.990 -4.130 6.750 1.00 12.44 C ATOM 787 NZ LYS A 55 -10.243 -3.743 6.071 1.00 73.14 N ATOM 0 H LYS A 55 -8.754 0.717 3.556 1.00 50.44 H new ATOM 0 HA LYS A 55 -6.518 -0.986 3.858 1.00 60.10 H new ATOM 0 HB2 LYS A 55 -8.251 -0.144 5.623 1.00 21.31 H new ATOM 0 HB3 LYS A 55 -9.245 -1.483 5.082 1.00 21.31 H new ATOM 0 HG2 LYS A 55 -6.393 -1.924 6.017 1.00 3.04 H new ATOM 0 HG3 LYS A 55 -7.709 -1.790 7.166 1.00 3.04 H new ATOM 0 HD2 LYS A 55 -7.822 -3.861 4.959 1.00 42.32 H new ATOM 0 HD3 LYS A 55 -6.864 -4.152 6.398 1.00 42.32 H new ATOM 0 HE2 LYS A 55 -8.942 -5.216 6.824 1.00 12.44 H new ATOM 0 HE3 LYS A 55 -8.998 -3.741 7.768 1.00 12.44 H new ATOM 0 HZ1 LYS A 55 -11.014 -4.369 6.381 1.00 73.14 H new ATOM 0 HZ2 LYS A 55 -10.478 -2.759 6.311 1.00 73.14 H new ATOM 0 HZ3 LYS A 55 -10.121 -3.829 5.042 1.00 73.14 H new ATOM 801 N GLY A 56 -7.267 -3.225 2.768 1.00 3.31 N ATOM 802 CA GLY A 56 -7.719 -4.395 2.044 1.00 70.13 C ATOM 803 C GLY A 56 -7.044 -4.405 0.730 1.00 22.12 C ATOM 804 O GLY A 56 -7.080 -5.396 0.019 1.00 71.25 O ATOM 0 H GLY A 56 -6.321 -3.287 3.144 1.00 3.31 H new ATOM 0 HA2 GLY A 56 -7.484 -5.302 2.600 1.00 70.13 H new ATOM 0 HA3 GLY A 56 -8.801 -4.370 1.917 1.00 70.13 H new ATOM 808 N ASP A 57 -6.416 -3.281 0.350 1.00 41.05 N ATOM 809 CA ASP A 57 -5.704 -3.224 -0.909 1.00 63.13 C ATOM 810 C ASP A 57 -4.366 -3.816 -0.655 1.00 15.32 C ATOM 811 O ASP A 57 -3.882 -3.780 0.470 1.00 64.34 O ATOM 812 CB ASP A 57 -5.519 -1.787 -1.445 1.00 54.15 C ATOM 813 CG ASP A 57 -6.821 -1.358 -2.103 1.00 74.23 C ATOM 814 OD1 ASP A 57 -7.398 -2.165 -2.883 1.00 61.13 O ATOM 815 OD2 ASP A 57 -7.283 -0.233 -1.844 1.00 24.33 O ATOM 0 H ASP A 57 -6.394 -2.419 0.895 1.00 41.05 H new ATOM 0 HA ASP A 57 -6.280 -3.760 -1.664 1.00 63.13 H new ATOM 0 HB2 ASP A 57 -5.261 -1.108 -0.632 1.00 54.15 H new ATOM 0 HB3 ASP A 57 -4.700 -1.751 -2.163 1.00 54.15 H new ATOM 820 N ARG A 58 -3.756 -4.438 -1.686 1.00 14.54 N ATOM 821 CA ARG A 58 -2.497 -5.113 -1.499 1.00 43.14 C ATOM 822 C ARG A 58 -1.502 -4.381 -2.336 1.00 24.24 C ATOM 823 O ARG A 58 -1.684 -4.236 -3.518 1.00 41.30 O ATOM 824 CB ARG A 58 -2.547 -6.621 -1.931 1.00 1.51 C ATOM 825 CG ARG A 58 -1.321 -7.449 -1.502 1.00 62.01 C ATOM 826 CD ARG A 58 -0.132 -7.406 -2.484 1.00 72.03 C ATOM 827 NE ARG A 58 -0.440 -8.298 -3.664 1.00 51.35 N ATOM 828 CZ ARG A 58 0.570 -8.992 -4.327 1.00 50.12 C ATOM 829 NH1 ARG A 58 1.873 -8.866 -3.949 1.00 61.04 N ATOM 830 NH2 ARG A 58 0.249 -9.808 -5.368 1.00 51.43 N ATOM 0 H ARG A 58 -4.125 -4.476 -2.636 1.00 14.54 H new ATOM 0 HA ARG A 58 -2.235 -5.111 -0.441 1.00 43.14 H new ATOM 0 HB2 ARG A 58 -3.443 -7.077 -1.510 1.00 1.51 H new ATOM 0 HB3 ARG A 58 -2.643 -6.672 -3.016 1.00 1.51 H new ATOM 0 HG2 ARG A 58 -0.983 -7.093 -0.529 1.00 62.01 H new ATOM 0 HG3 ARG A 58 -1.629 -8.487 -1.372 1.00 62.01 H new ATOM 0 HD2 ARG A 58 0.043 -6.384 -2.820 1.00 72.03 H new ATOM 0 HD3 ARG A 58 0.779 -7.739 -1.987 1.00 72.03 H new ATOM 0 HE ARG A 58 -1.405 -8.394 -3.981 1.00 51.35 H new ATOM 0 HH11 ARG A 58 2.121 -8.256 -3.170 1.00 61.04 H new ATOM 0 HH12 ARG A 58 2.600 -9.381 -4.445 1.00 61.04 H new ATOM 0 HH21 ARG A 58 -0.724 -9.907 -5.657 1.00 51.43 H new ATOM 0 HH22 ARG A 58 0.982 -10.320 -5.859 1.00 51.43 H new ATOM 844 N VAL A 59 -0.426 -3.894 -1.715 1.00 31.11 N ATOM 845 CA VAL A 59 0.596 -3.163 -2.408 1.00 52.40 C ATOM 846 C VAL A 59 1.638 -4.185 -2.768 1.00 50.24 C ATOM 847 O VAL A 59 1.922 -5.083 -1.986 1.00 43.54 O ATOM 848 CB VAL A 59 1.257 -2.090 -1.527 1.00 72.15 C ATOM 849 CG1 VAL A 59 2.187 -1.204 -2.394 1.00 32.14 C ATOM 850 CG2 VAL A 59 0.150 -1.280 -0.815 1.00 44.44 C ATOM 0 H VAL A 59 -0.253 -4.004 -0.716 1.00 31.11 H new ATOM 0 HA VAL A 59 0.164 -2.647 -3.266 1.00 52.40 H new ATOM 0 HB VAL A 59 1.882 -2.545 -0.759 1.00 72.15 H new ATOM 0 HG11 VAL A 59 2.654 -0.444 -1.767 1.00 32.14 H new ATOM 0 HG12 VAL A 59 2.959 -1.824 -2.849 1.00 32.14 H new ATOM 0 HG13 VAL A 59 1.603 -0.720 -3.176 1.00 32.14 H new ATOM 0 HG21 VAL A 59 0.606 -0.515 -0.186 1.00 44.44 H new ATOM 0 HG22 VAL A 59 -0.489 -0.805 -1.559 1.00 44.44 H new ATOM 0 HG23 VAL A 59 -0.449 -1.948 -0.196 1.00 44.44 H new ATOM 860 N LEU A 60 2.212 -4.082 -3.965 1.00 72.23 N ATOM 861 CA LEU A 60 3.284 -4.978 -4.331 1.00 35.22 C ATOM 862 C LEU A 60 4.500 -4.152 -4.494 1.00 52.22 C ATOM 863 O LEU A 60 5.582 -4.528 -4.017 1.00 34.14 O ATOM 864 CB LEU A 60 3.066 -5.814 -5.621 1.00 44.23 C ATOM 865 CG LEU A 60 2.323 -5.122 -6.767 1.00 20.25 C ATOM 866 CD1 LEU A 60 2.738 -5.690 -8.110 1.00 43.22 C ATOM 867 CD2 LEU A 60 0.810 -5.190 -6.591 1.00 32.14 C ATOM 0 H LEU A 60 1.954 -3.400 -4.678 1.00 72.23 H new ATOM 0 HA LEU A 60 3.354 -5.719 -3.535 1.00 35.22 H new ATOM 0 HB2 LEU A 60 4.041 -6.132 -5.990 1.00 44.23 H new ATOM 0 HB3 LEU A 60 2.516 -6.716 -5.354 1.00 44.23 H new ATOM 0 HG LEU A 60 2.605 -4.069 -6.741 1.00 20.25 H new ATOM 0 HD11 LEU A 60 2.194 -5.179 -8.905 1.00 43.22 H new ATOM 0 HD12 LEU A 60 3.809 -5.544 -8.251 1.00 43.22 H new ATOM 0 HD13 LEU A 60 2.510 -6.755 -8.141 1.00 43.22 H new ATOM 0 HD21 LEU A 60 0.324 -4.687 -7.427 1.00 32.14 H new ATOM 0 HD22 LEU A 60 0.494 -6.233 -6.561 1.00 32.14 H new ATOM 0 HD23 LEU A 60 0.530 -4.699 -5.659 1.00 32.14 H new ATOM 879 N ALA A 61 4.365 -3.000 -5.163 1.00 20.20 N ATOM 880 CA ALA A 61 5.532 -2.222 -5.441 1.00 74.02 C ATOM 881 C ALA A 61 5.310 -0.821 -5.046 1.00 45.32 C ATOM 882 O ALA A 61 4.193 -0.373 -4.800 1.00 44.31 O ATOM 883 CB ALA A 61 5.968 -2.230 -6.919 1.00 33.24 C ATOM 0 H ALA A 61 3.484 -2.614 -5.503 1.00 20.20 H new ATOM 0 HA ALA A 61 6.329 -2.690 -4.863 1.00 74.02 H new ATOM 0 HB1 ALA A 61 6.860 -1.615 -7.039 1.00 33.24 H new ATOM 0 HB2 ALA A 61 6.188 -3.252 -7.228 1.00 33.24 H new ATOM 0 HB3 ALA A 61 5.165 -1.829 -7.537 1.00 33.24 H new ATOM 889 N VAL A 62 6.432 -0.119 -4.986 1.00 23.24 N ATOM 890 CA VAL A 62 6.479 1.267 -4.654 1.00 24.12 C ATOM 891 C VAL A 62 7.457 1.819 -5.623 1.00 60.15 C ATOM 892 O VAL A 62 8.653 1.621 -5.492 1.00 64.54 O ATOM 893 CB VAL A 62 6.939 1.569 -3.235 1.00 51.35 C ATOM 894 CG1 VAL A 62 6.937 3.107 -3.026 1.00 52.22 C ATOM 895 CG2 VAL A 62 5.986 0.833 -2.259 1.00 32.45 C ATOM 0 H VAL A 62 7.349 -0.523 -5.174 1.00 23.24 H new ATOM 0 HA VAL A 62 5.480 1.699 -4.704 1.00 24.12 H new ATOM 0 HB VAL A 62 7.954 1.218 -3.049 1.00 51.35 H new ATOM 0 HG11 VAL A 62 7.265 3.337 -2.012 1.00 52.22 H new ATOM 0 HG12 VAL A 62 7.615 3.572 -3.741 1.00 52.22 H new ATOM 0 HG13 VAL A 62 5.929 3.493 -3.178 1.00 52.22 H new ATOM 0 HG21 VAL A 62 6.292 1.032 -1.232 1.00 32.45 H new ATOM 0 HG22 VAL A 62 4.966 1.188 -2.409 1.00 32.45 H new ATOM 0 HG23 VAL A 62 6.028 -0.240 -2.449 1.00 32.45 H new ATOM 905 N ASN A 63 6.934 2.477 -6.653 1.00 53.25 N ATOM 906 CA ASN A 63 7.703 2.979 -7.785 1.00 51.52 C ATOM 907 C ASN A 63 8.556 1.872 -8.373 1.00 63.40 C ATOM 908 O ASN A 63 9.705 2.078 -8.721 1.00 30.35 O ATOM 909 CB ASN A 63 8.587 4.214 -7.464 1.00 71.50 C ATOM 910 CG ASN A 63 8.986 4.894 -8.777 1.00 42.22 C ATOM 911 OD1 ASN A 63 8.125 5.215 -9.605 1.00 4.41 O ATOM 912 ND2 ASN A 63 10.298 5.126 -8.977 1.00 22.44 N ATOM 0 H ASN A 63 5.937 2.681 -6.725 1.00 53.25 H new ATOM 0 HA ASN A 63 6.965 3.319 -8.512 1.00 51.52 H new ATOM 0 HB2 ASN A 63 8.042 4.912 -6.828 1.00 71.50 H new ATOM 0 HB3 ASN A 63 9.476 3.908 -6.913 1.00 71.50 H new ATOM 0 HD21 ASN A 63 10.610 5.581 -9.835 1.00 22.44 H new ATOM 0 HD22 ASN A 63 10.979 4.847 -8.271 1.00 22.44 H new ATOM 919 N GLY A 64 7.987 0.665 -8.501 1.00 65.22 N ATOM 920 CA GLY A 64 8.677 -0.412 -9.181 1.00 13.35 C ATOM 921 C GLY A 64 9.667 -1.062 -8.256 1.00 74.10 C ATOM 922 O GLY A 64 10.516 -1.819 -8.708 1.00 63.12 O ATOM 0 H GLY A 64 7.063 0.423 -8.144 1.00 65.22 H new ATOM 0 HA2 GLY A 64 7.956 -1.151 -9.531 1.00 13.35 H new ATOM 0 HA3 GLY A 64 9.191 -0.026 -10.061 1.00 13.35 H new ATOM 926 N VAL A 65 9.578 -0.799 -6.932 1.00 2.22 N ATOM 927 CA VAL A 65 10.463 -1.441 -6.016 1.00 43.52 C ATOM 928 C VAL A 65 9.645 -2.518 -5.432 1.00 61.43 C ATOM 929 O VAL A 65 8.627 -2.249 -4.803 1.00 52.30 O ATOM 930 CB VAL A 65 10.946 -0.528 -4.888 1.00 23.34 C ATOM 931 CG1 VAL A 65 11.805 -1.347 -3.892 1.00 42.13 C ATOM 932 CG2 VAL A 65 11.719 0.652 -5.522 1.00 72.00 C ATOM 0 H VAL A 65 8.908 -0.156 -6.510 1.00 2.22 H new ATOM 0 HA VAL A 65 11.364 -1.772 -6.531 1.00 43.52 H new ATOM 0 HB VAL A 65 10.112 -0.119 -4.318 1.00 23.34 H new ATOM 0 HG11 VAL A 65 12.149 -0.696 -3.088 1.00 42.13 H new ATOM 0 HG12 VAL A 65 11.205 -2.155 -3.473 1.00 42.13 H new ATOM 0 HG13 VAL A 65 12.666 -1.766 -4.413 1.00 42.13 H new ATOM 0 HG21 VAL A 65 12.074 1.318 -4.736 1.00 72.00 H new ATOM 0 HG22 VAL A 65 12.570 0.269 -6.085 1.00 72.00 H new ATOM 0 HG23 VAL A 65 11.058 1.202 -6.192 1.00 72.00 H new ATOM 942 N SER A 66 10.051 -3.767 -5.653 1.00 12.45 N ATOM 943 CA SER A 66 9.337 -4.872 -5.108 1.00 14.15 C ATOM 944 C SER A 66 9.551 -4.882 -3.629 1.00 2.25 C ATOM 945 O SER A 66 10.662 -5.076 -3.142 1.00 53.34 O ATOM 946 CB SER A 66 9.792 -6.231 -5.675 1.00 15.52 C ATOM 947 OG SER A 66 9.613 -6.244 -7.086 1.00 22.23 O ATOM 0 H SER A 66 10.870 -4.017 -6.207 1.00 12.45 H new ATOM 0 HA SER A 66 8.288 -4.746 -5.375 1.00 14.15 H new ATOM 0 HB2 SER A 66 10.839 -6.406 -5.430 1.00 15.52 H new ATOM 0 HB3 SER A 66 9.218 -7.037 -5.218 1.00 15.52 H new ATOM 0 HG SER A 66 9.904 -7.108 -7.445 1.00 22.23 H new ATOM 953 N LEU A 67 8.467 -4.688 -2.887 1.00 25.11 N ATOM 954 CA LEU A 67 8.492 -4.830 -1.435 1.00 63.12 C ATOM 955 C LEU A 67 8.245 -6.285 -1.108 1.00 64.33 C ATOM 956 O LEU A 67 7.995 -6.636 0.033 1.00 43.53 O ATOM 957 CB LEU A 67 7.396 -3.993 -0.728 1.00 21.11 C ATOM 958 CG LEU A 67 7.869 -2.591 -0.294 1.00 73.35 C ATOM 959 CD1 LEU A 67 8.895 -2.658 0.856 1.00 11.44 C ATOM 960 CD2 LEU A 67 8.352 -1.714 -1.461 1.00 20.32 C ATOM 0 H LEU A 67 7.556 -4.431 -3.268 1.00 25.11 H new ATOM 0 HA LEU A 67 9.461 -4.475 -1.083 1.00 63.12 H new ATOM 0 HB2 LEU A 67 6.543 -3.887 -1.398 1.00 21.11 H new ATOM 0 HB3 LEU A 67 7.046 -4.536 0.150 1.00 21.11 H new ATOM 0 HG LEU A 67 6.984 -2.088 0.094 1.00 73.35 H new ATOM 0 HD11 LEU A 67 9.201 -1.648 1.130 1.00 11.44 H new ATOM 0 HD12 LEU A 67 8.443 -3.147 1.719 1.00 11.44 H new ATOM 0 HD13 LEU A 67 9.767 -3.226 0.533 1.00 11.44 H new ATOM 0 HD21 LEU A 67 8.669 -0.743 -1.080 1.00 20.32 H new ATOM 0 HD22 LEU A 67 9.191 -2.200 -1.958 1.00 20.32 H new ATOM 0 HD23 LEU A 67 7.539 -1.576 -2.173 1.00 20.32 H new ATOM 972 N GLU A 68 8.345 -7.174 -2.112 1.00 12.04 N ATOM 973 CA GLU A 68 8.150 -8.585 -1.884 1.00 43.14 C ATOM 974 C GLU A 68 9.306 -9.079 -1.053 1.00 1.24 C ATOM 975 O GLU A 68 10.459 -8.693 -1.279 1.00 43.55 O ATOM 976 CB GLU A 68 8.150 -9.400 -3.187 1.00 45.24 C ATOM 977 CG GLU A 68 7.098 -8.934 -4.200 1.00 61.40 C ATOM 978 CD GLU A 68 7.314 -9.716 -5.467 1.00 23.05 C ATOM 979 OE1 GLU A 68 8.391 -9.547 -6.089 1.00 32.45 O ATOM 980 OE2 GLU A 68 6.416 -10.504 -5.839 1.00 53.21 O ATOM 0 H GLU A 68 8.559 -6.925 -3.078 1.00 12.04 H new ATOM 0 HA GLU A 68 7.183 -8.714 -1.397 1.00 43.14 H new ATOM 0 HB2 GLU A 68 9.137 -9.337 -3.645 1.00 45.24 H new ATOM 0 HB3 GLU A 68 7.975 -10.449 -2.950 1.00 45.24 H new ATOM 0 HG2 GLU A 68 6.093 -9.101 -3.813 1.00 61.40 H new ATOM 0 HG3 GLU A 68 7.194 -7.865 -4.388 1.00 61.40 H new ATOM 987 N GLY A 69 9.009 -9.931 -0.054 1.00 31.31 N ATOM 988 CA GLY A 69 10.051 -10.522 0.773 1.00 24.45 C ATOM 989 C GLY A 69 10.475 -9.547 1.845 1.00 23.40 C ATOM 990 O GLY A 69 11.137 -9.929 2.811 1.00 55.02 O ATOM 0 H GLY A 69 8.061 -10.217 0.190 1.00 31.31 H new ATOM 0 HA2 GLY A 69 9.686 -11.442 1.230 1.00 24.45 H new ATOM 0 HA3 GLY A 69 10.908 -10.791 0.155 1.00 24.45 H new ATOM 994 N ALA A 70 10.142 -8.242 1.688 1.00 41.32 N ATOM 995 CA ALA A 70 10.537 -7.255 2.667 1.00 61.42 C ATOM 996 C ALA A 70 9.739 -7.485 3.904 1.00 34.55 C ATOM 997 O ALA A 70 8.657 -8.051 3.867 1.00 40.13 O ATOM 998 CB ALA A 70 10.316 -5.796 2.218 1.00 74.41 C ATOM 0 H ALA A 70 9.610 -7.874 0.900 1.00 41.32 H new ATOM 0 HA ALA A 70 11.609 -7.377 2.823 1.00 61.42 H new ATOM 0 HB1 ALA A 70 10.638 -5.119 3.009 1.00 74.41 H new ATOM 0 HB2 ALA A 70 10.896 -5.601 1.316 1.00 74.41 H new ATOM 0 HB3 ALA A 70 9.258 -5.635 2.011 1.00 74.41 H new ATOM 1004 N THR A 71 10.283 -7.070 5.034 1.00 74.43 N ATOM 1005 CA THR A 71 9.616 -7.247 6.277 1.00 71.34 C ATOM 1006 C THR A 71 8.647 -6.068 6.456 1.00 25.25 C ATOM 1007 O THR A 71 8.699 -5.084 5.711 1.00 23.04 O ATOM 1008 CB THR A 71 10.583 -7.409 7.441 1.00 42.42 C ATOM 1009 OG1 THR A 71 11.799 -6.676 7.196 1.00 41.34 O ATOM 1010 CG2 THR A 71 10.948 -8.910 7.506 1.00 32.35 C ATOM 0 H THR A 71 11.190 -6.608 5.099 1.00 74.43 H new ATOM 0 HA THR A 71 9.053 -8.180 6.269 1.00 71.34 H new ATOM 0 HB THR A 71 10.125 -7.043 8.360 1.00 42.42 H new ATOM 0 HG1 THR A 71 11.585 -5.736 7.022 1.00 41.34 H new ATOM 0 HG21 THR A 71 11.643 -9.080 8.328 1.00 32.35 H new ATOM 0 HG22 THR A 71 10.044 -9.498 7.667 1.00 32.35 H new ATOM 0 HG23 THR A 71 11.415 -9.212 6.568 1.00 32.35 H new ATOM 1018 N HIS A 72 7.673 -6.229 7.391 1.00 71.24 N ATOM 1019 CA HIS A 72 6.497 -5.359 7.436 1.00 60.13 C ATOM 1020 C HIS A 72 6.891 -3.938 7.717 1.00 14.13 C ATOM 1021 O HIS A 72 6.338 -3.019 7.129 1.00 62.45 O ATOM 1022 CB HIS A 72 5.395 -5.800 8.426 1.00 12.34 C ATOM 1023 CG HIS A 72 5.755 -5.711 9.884 1.00 1.13 C ATOM 1024 ND1 HIS A 72 5.295 -4.705 10.693 1.00 72.05 N ATOM 1025 CD2 HIS A 72 6.474 -6.544 10.654 1.00 72.51 C ATOM 1026 CE1 HIS A 72 5.727 -4.928 11.922 1.00 25.44 C ATOM 1027 NE2 HIS A 72 6.448 -6.043 11.919 1.00 5.40 N ATOM 0 H HIS A 72 7.690 -6.950 8.112 1.00 71.24 H new ATOM 0 HA HIS A 72 6.057 -5.442 6.442 1.00 60.13 H new ATOM 0 HB2 HIS A 72 4.509 -5.189 8.251 1.00 12.34 H new ATOM 0 HB3 HIS A 72 5.121 -6.831 8.201 1.00 12.34 H new ATOM 0 HD2 HIS A 72 6.978 -7.443 10.330 1.00 72.51 H new ATOM 0 HE1 HIS A 72 5.527 -4.308 12.783 1.00 25.44 H new ATOM 0 HE2 HIS A 72 6.907 -6.456 12.731 1.00 5.40 H new ATOM 1036 N LYS A 73 7.884 -3.728 8.607 1.00 3.53 N ATOM 1037 CA LYS A 73 8.302 -2.373 8.938 1.00 21.24 C ATOM 1038 C LYS A 73 8.865 -1.692 7.709 1.00 3.42 C ATOM 1039 O LYS A 73 8.658 -0.520 7.528 1.00 51.11 O ATOM 1040 CB LYS A 73 9.344 -2.284 10.072 1.00 12.23 C ATOM 1041 CG LYS A 73 8.786 -2.769 11.415 1.00 12.32 C ATOM 1042 CD LYS A 73 9.744 -2.584 12.594 1.00 43.11 C ATOM 1043 CE LYS A 73 9.094 -2.971 13.932 1.00 34.41 C ATOM 1044 NZ LYS A 73 9.991 -2.711 15.069 1.00 21.01 N ATOM 0 H LYS A 73 8.393 -4.467 9.092 1.00 3.53 H new ATOM 0 HA LYS A 73 7.403 -1.873 9.298 1.00 21.24 H new ATOM 0 HB2 LYS A 73 10.217 -2.880 9.807 1.00 12.23 H new ATOM 0 HB3 LYS A 73 9.681 -1.252 10.172 1.00 12.23 H new ATOM 0 HG2 LYS A 73 7.860 -2.234 11.626 1.00 12.32 H new ATOM 0 HG3 LYS A 73 8.531 -3.825 11.330 1.00 12.32 H new ATOM 0 HD2 LYS A 73 10.635 -3.191 12.435 1.00 43.11 H new ATOM 0 HD3 LYS A 73 10.070 -1.545 12.637 1.00 43.11 H new ATOM 0 HE2 LYS A 73 8.169 -2.410 14.063 1.00 34.41 H new ATOM 0 HE3 LYS A 73 8.826 -4.027 13.914 1.00 34.41 H new ATOM 0 HZ1 LYS A 73 9.518 -2.984 15.954 1.00 21.01 H new ATOM 0 HZ2 LYS A 73 10.863 -3.266 14.957 1.00 21.01 H new ATOM 0 HZ3 LYS A 73 10.226 -1.699 15.101 1.00 21.01 H new ATOM 1058 N GLN A 74 9.568 -2.426 6.813 1.00 2.01 N ATOM 1059 CA GLN A 74 10.195 -1.809 5.633 1.00 52.01 C ATOM 1060 C GLN A 74 9.125 -1.364 4.691 1.00 33.23 C ATOM 1061 O GLN A 74 9.288 -0.377 3.991 1.00 3.34 O ATOM 1062 CB GLN A 74 11.120 -2.802 4.858 1.00 34.31 C ATOM 1063 CG GLN A 74 12.542 -2.910 5.439 1.00 61.32 C ATOM 1064 CD GLN A 74 12.446 -3.049 6.946 1.00 33.03 C ATOM 1065 OE1 GLN A 74 11.997 -4.075 7.458 1.00 61.21 O ATOM 1066 NE2 GLN A 74 12.843 -1.998 7.680 1.00 61.40 N ATOM 0 H GLN A 74 9.711 -3.433 6.888 1.00 2.01 H new ATOM 0 HA GLN A 74 10.801 -0.976 5.991 1.00 52.01 H new ATOM 0 HB2 GLN A 74 10.660 -3.790 4.862 1.00 34.31 H new ATOM 0 HB3 GLN A 74 11.186 -2.485 3.817 1.00 34.31 H new ATOM 0 HG2 GLN A 74 13.059 -3.770 5.013 1.00 61.32 H new ATOM 0 HG3 GLN A 74 13.124 -2.026 5.178 1.00 61.32 H new ATOM 0 HE21 GLN A 74 13.210 -1.165 7.221 1.00 61.40 H new ATOM 0 HE22 GLN A 74 12.778 -2.033 8.697 1.00 61.40 H new ATOM 1075 N ALA A 75 7.990 -2.073 4.666 1.00 34.34 N ATOM 1076 CA ALA A 75 6.882 -1.693 3.800 1.00 0.33 C ATOM 1077 C ALA A 75 6.378 -0.340 4.253 1.00 30.20 C ATOM 1078 O ALA A 75 5.995 0.498 3.443 1.00 75.41 O ATOM 1079 CB ALA A 75 5.719 -2.691 3.858 1.00 21.42 C ATOM 0 H ALA A 75 7.821 -2.904 5.232 1.00 34.34 H new ATOM 0 HA ALA A 75 7.247 -1.674 2.773 1.00 0.33 H new ATOM 0 HB1 ALA A 75 4.921 -2.359 3.194 1.00 21.42 H new ATOM 0 HB2 ALA A 75 6.068 -3.675 3.543 1.00 21.42 H new ATOM 0 HB3 ALA A 75 5.341 -2.750 4.879 1.00 21.42 H new ATOM 1085 N VAL A 76 6.416 -0.104 5.573 1.00 45.10 N ATOM 1086 CA VAL A 76 5.989 1.151 6.130 1.00 64.03 C ATOM 1087 C VAL A 76 7.062 2.180 5.821 1.00 60.42 C ATOM 1088 O VAL A 76 6.770 3.246 5.280 1.00 62.51 O ATOM 1089 CB VAL A 76 5.813 1.079 7.642 1.00 63.11 C ATOM 1090 CG1 VAL A 76 5.484 2.475 8.188 1.00 52.50 C ATOM 1091 CG2 VAL A 76 4.724 0.032 7.958 1.00 64.22 C ATOM 0 H VAL A 76 6.743 -0.781 6.263 1.00 45.10 H new ATOM 0 HA VAL A 76 5.025 1.414 5.694 1.00 64.03 H new ATOM 0 HB VAL A 76 6.732 0.761 8.135 1.00 63.11 H new ATOM 0 HG11 VAL A 76 5.358 2.422 9.269 1.00 52.50 H new ATOM 0 HG12 VAL A 76 6.298 3.160 7.950 1.00 52.50 H new ATOM 0 HG13 VAL A 76 4.562 2.836 7.733 1.00 52.50 H new ATOM 0 HG21 VAL A 76 4.584 -0.033 9.037 1.00 64.22 H new ATOM 0 HG22 VAL A 76 3.786 0.329 7.488 1.00 64.22 H new ATOM 0 HG23 VAL A 76 5.031 -0.940 7.572 1.00 64.22 H new ATOM 1101 N CYS A 77 8.333 1.870 6.231 1.00 34.34 N ATOM 1102 CA CYS A 77 9.452 2.884 6.168 1.00 62.41 C ATOM 1103 C CYS A 77 9.577 3.393 4.730 1.00 4.14 C ATOM 1104 O CYS A 77 10.181 4.394 4.465 1.00 11.42 O ATOM 1105 CB CYS A 77 10.803 2.315 6.618 1.00 14.03 C ATOM 1106 SG CYS A 77 10.719 1.690 8.337 1.00 33.41 S ATOM 0 H CYS A 77 8.608 0.959 6.598 1.00 34.34 H new ATOM 0 HA CYS A 77 9.199 3.691 6.856 1.00 62.41 H new ATOM 0 HB2 CYS A 77 11.102 1.508 5.949 1.00 14.03 H new ATOM 0 HB3 CYS A 77 11.568 3.088 6.546 1.00 14.03 H new ATOM 0 HG CYS A 77 9.907 0.676 8.391 1.00 33.41 H new ATOM 1111 N THR A 78 9.185 2.542 3.768 1.00 61.11 N ATOM 1112 CA THR A 78 9.302 2.896 2.364 1.00 34.05 C ATOM 1113 C THR A 78 8.430 4.119 2.141 1.00 33.02 C ATOM 1114 O THR A 78 8.916 5.154 1.734 1.00 40.42 O ATOM 1115 CB THR A 78 8.891 1.785 1.416 1.00 32.51 C ATOM 1116 OG1 THR A 78 9.745 0.666 1.613 1.00 41.32 O ATOM 1117 CG2 THR A 78 9.049 2.282 -0.039 1.00 52.40 C ATOM 0 H THR A 78 8.791 1.618 3.944 1.00 61.11 H new ATOM 0 HA THR A 78 10.352 3.089 2.143 1.00 34.05 H new ATOM 0 HB THR A 78 7.856 1.502 1.605 1.00 32.51 H new ATOM 0 HG1 THR A 78 9.612 0.308 2.515 1.00 41.32 H new ATOM 0 HG21 THR A 78 8.756 1.490 -0.728 1.00 52.40 H new ATOM 0 HG22 THR A 78 8.414 3.154 -0.197 1.00 52.40 H new ATOM 0 HG23 THR A 78 10.089 2.554 -0.220 1.00 52.40 H new ATOM 1125 N LEU A 79 7.129 4.008 2.493 1.00 54.12 N ATOM 1126 CA LEU A 79 6.165 5.100 2.335 1.00 35.23 C ATOM 1127 C LEU A 79 6.674 6.323 3.083 1.00 3.11 C ATOM 1128 O LEU A 79 6.828 7.382 2.523 1.00 11.11 O ATOM 1129 CB LEU A 79 4.767 4.725 2.900 1.00 25.34 C ATOM 1130 CG LEU A 79 4.160 3.448 2.258 1.00 60.43 C ATOM 1131 CD1 LEU A 79 2.837 3.035 2.927 1.00 74.14 C ATOM 1132 CD2 LEU A 79 4.032 3.549 0.723 1.00 33.23 C ATOM 0 H LEU A 79 6.728 3.159 2.892 1.00 54.12 H new ATOM 0 HA LEU A 79 6.062 5.302 1.269 1.00 35.23 H new ATOM 0 HB2 LEU A 79 4.847 4.577 3.977 1.00 25.34 H new ATOM 0 HB3 LEU A 79 4.085 5.560 2.743 1.00 25.34 H new ATOM 0 HG LEU A 79 4.874 2.646 2.447 1.00 60.43 H new ATOM 0 HD11 LEU A 79 2.450 2.137 2.445 1.00 74.14 H new ATOM 0 HD12 LEU A 79 3.011 2.833 3.984 1.00 74.14 H new ATOM 0 HD13 LEU A 79 2.111 3.842 2.827 1.00 74.14 H new ATOM 0 HD21 LEU A 79 3.602 2.627 0.332 1.00 33.23 H new ATOM 0 HD22 LEU A 79 3.386 4.388 0.466 1.00 33.23 H new ATOM 0 HD23 LEU A 79 5.018 3.703 0.285 1.00 33.23 H new ATOM 1144 N ARG A 80 6.951 6.170 4.383 1.00 41.32 N ATOM 1145 CA ARG A 80 7.525 7.262 5.203 1.00 30.14 C ATOM 1146 C ARG A 80 8.714 7.964 4.506 1.00 40.24 C ATOM 1147 O ARG A 80 8.896 9.164 4.676 1.00 50.20 O ATOM 1148 CB ARG A 80 8.009 6.772 6.593 1.00 43.22 C ATOM 1149 CG ARG A 80 6.899 6.079 7.404 1.00 3.01 C ATOM 1150 CD ARG A 80 7.376 5.502 8.751 1.00 54.14 C ATOM 1151 NE ARG A 80 7.811 6.624 9.659 1.00 22.50 N ATOM 1152 CZ ARG A 80 6.948 7.170 10.605 1.00 22.24 C ATOM 1153 NH1 ARG A 80 5.611 6.879 10.567 1.00 55.42 N ATOM 1154 NH2 ARG A 80 7.440 7.984 11.587 1.00 71.24 N ATOM 0 H ARG A 80 6.790 5.304 4.897 1.00 41.32 H new ATOM 0 HA ARG A 80 6.706 7.970 5.331 1.00 30.14 H new ATOM 0 HB2 ARG A 80 8.840 6.080 6.459 1.00 43.22 H new ATOM 0 HB3 ARG A 80 8.390 7.622 7.160 1.00 43.22 H new ATOM 0 HG2 ARG A 80 6.098 6.795 7.590 1.00 3.01 H new ATOM 0 HG3 ARG A 80 6.474 5.273 6.805 1.00 3.01 H new ATOM 0 HD2 ARG A 80 6.572 4.933 9.219 1.00 54.14 H new ATOM 0 HD3 ARG A 80 8.203 4.811 8.589 1.00 54.14 H new ATOM 0 HE ARG A 80 8.759 6.991 9.578 1.00 22.50 H new ATOM 0 HH11 ARG A 80 5.244 6.260 9.844 1.00 55.42 H new ATOM 0 HH12 ARG A 80 4.982 7.281 11.262 1.00 55.42 H new ATOM 0 HH21 ARG A 80 8.438 8.190 11.626 1.00 71.24 H new ATOM 0 HH22 ARG A 80 6.809 8.385 12.281 1.00 71.24 H new ATOM 1168 N ASN A 81 9.536 7.235 3.721 1.00 24.41 N ATOM 1169 CA ASN A 81 10.733 7.848 3.128 1.00 33.35 C ATOM 1170 C ASN A 81 10.461 8.258 1.684 1.00 35.42 C ATOM 1171 O ASN A 81 11.370 8.734 1.010 1.00 41.44 O ATOM 1172 CB ASN A 81 11.971 6.903 3.113 1.00 74.11 C ATOM 1173 CG ASN A 81 12.608 6.902 4.507 1.00 33.23 C ATOM 1174 OD1 ASN A 81 13.269 7.879 4.905 1.00 21.43 O ATOM 1175 ND2 ASN A 81 12.430 5.810 5.269 1.00 73.32 N ATOM 0 H ASN A 81 9.396 6.251 3.491 1.00 24.41 H new ATOM 0 HA ASN A 81 10.958 8.708 3.758 1.00 33.35 H new ATOM 0 HB2 ASN A 81 11.671 5.893 2.834 1.00 74.11 H new ATOM 0 HB3 ASN A 81 12.693 7.238 2.368 1.00 74.11 H new ATOM 0 HD21 ASN A 81 12.842 5.766 6.201 1.00 73.32 H new ATOM 0 HD22 ASN A 81 11.883 5.025 4.915 1.00 73.32 H new ATOM 1182 N THR A 82 9.222 8.113 1.165 1.00 10.24 N ATOM 1183 CA THR A 82 8.974 8.529 -0.222 1.00 1.11 C ATOM 1184 C THR A 82 8.769 10.049 -0.250 1.00 52.22 C ATOM 1185 O THR A 82 8.788 10.719 0.788 1.00 64.03 O ATOM 1186 CB THR A 82 7.829 7.816 -0.938 1.00 72.13 C ATOM 1187 OG1 THR A 82 6.675 7.733 -0.121 1.00 2.23 O ATOM 1188 CG2 THR A 82 8.304 6.398 -1.305 1.00 35.10 C ATOM 0 H THR A 82 8.417 7.730 1.661 1.00 10.24 H new ATOM 0 HA THR A 82 9.857 8.231 -0.787 1.00 1.11 H new ATOM 0 HB THR A 82 7.560 8.382 -1.830 1.00 72.13 H new ATOM 0 HG1 THR A 82 6.897 7.268 0.713 1.00 2.23 H new ATOM 0 HG21 THR A 82 7.502 5.867 -1.819 1.00 35.10 H new ATOM 0 HG22 THR A 82 9.173 6.463 -1.959 1.00 35.10 H new ATOM 0 HG23 THR A 82 8.573 5.858 -0.397 1.00 35.10 H new ATOM 1196 N GLY A 83 8.663 10.601 -1.470 1.00 42.13 N ATOM 1197 CA GLY A 83 8.621 12.037 -1.668 1.00 52.22 C ATOM 1198 C GLY A 83 7.202 12.546 -1.686 1.00 33.13 C ATOM 1199 O GLY A 83 6.376 12.213 -0.818 1.00 64.11 O ATOM 0 H GLY A 83 8.605 10.059 -2.332 1.00 42.13 H new ATOM 0 HA2 GLY A 83 9.177 12.532 -0.872 1.00 52.22 H new ATOM 0 HA3 GLY A 83 9.113 12.291 -2.607 1.00 52.22 H new ATOM 1203 N GLN A 84 6.927 13.451 -2.667 1.00 63.13 N ATOM 1204 CA GLN A 84 5.707 14.229 -2.714 1.00 44.25 C ATOM 1205 C GLN A 84 4.642 13.394 -3.344 1.00 12.11 C ATOM 1206 O GLN A 84 3.544 13.287 -2.829 1.00 71.04 O ATOM 1207 CB GLN A 84 5.879 15.521 -3.579 1.00 41.24 C ATOM 1208 CG GLN A 84 4.642 16.450 -3.623 1.00 72.44 C ATOM 1209 CD GLN A 84 4.431 17.076 -2.245 1.00 23.34 C ATOM 1210 OE1 GLN A 84 5.281 16.964 -1.354 1.00 3.53 O ATOM 1211 NE2 GLN A 84 3.287 17.748 -2.055 1.00 24.13 N ATOM 0 H GLN A 84 7.564 13.644 -3.440 1.00 63.13 H new ATOM 0 HA GLN A 84 5.449 14.521 -1.696 1.00 44.25 H new ATOM 0 HB2 GLN A 84 6.726 16.088 -3.193 1.00 41.24 H new ATOM 0 HB3 GLN A 84 6.130 15.227 -4.598 1.00 41.24 H new ATOM 0 HG2 GLN A 84 4.785 17.230 -4.371 1.00 72.44 H new ATOM 0 HG3 GLN A 84 3.758 15.884 -3.917 1.00 72.44 H new ATOM 0 HE21 GLN A 84 2.607 17.821 -2.812 1.00 24.13 H new ATOM 0 HE22 GLN A 84 3.097 18.186 -1.154 1.00 24.13 H new ATOM 1220 N VAL A 85 4.953 12.789 -4.487 1.00 21.45 N ATOM 1221 CA VAL A 85 4.000 11.940 -5.144 1.00 20.12 C ATOM 1222 C VAL A 85 4.638 10.602 -5.130 1.00 2.10 C ATOM 1223 O VAL A 85 5.832 10.487 -5.403 1.00 33.32 O ATOM 1224 CB VAL A 85 3.682 12.348 -6.577 1.00 13.42 C ATOM 1225 CG1 VAL A 85 2.617 11.385 -7.166 1.00 72.14 C ATOM 1226 CG2 VAL A 85 3.206 13.821 -6.559 1.00 52.23 C ATOM 0 H VAL A 85 5.851 12.877 -4.963 1.00 21.45 H new ATOM 0 HA VAL A 85 3.040 11.987 -4.631 1.00 20.12 H new ATOM 0 HB VAL A 85 4.561 12.277 -7.218 1.00 13.42 H new ATOM 0 HG11 VAL A 85 2.390 11.677 -8.191 1.00 72.14 H new ATOM 0 HG12 VAL A 85 3.003 10.366 -7.156 1.00 72.14 H new ATOM 0 HG13 VAL A 85 1.709 11.435 -6.565 1.00 72.14 H new ATOM 0 HG21 VAL A 85 2.971 14.140 -7.574 1.00 52.23 H new ATOM 0 HG22 VAL A 85 2.316 13.908 -5.936 1.00 52.23 H new ATOM 0 HG23 VAL A 85 3.996 14.454 -6.154 1.00 52.23 H new ATOM 1236 N VAL A 86 3.889 9.570 -4.745 1.00 23.03 N ATOM 1237 CA VAL A 86 4.440 8.267 -4.598 1.00 42.45 C ATOM 1238 C VAL A 86 3.732 7.433 -5.603 1.00 34.22 C ATOM 1239 O VAL A 86 2.518 7.518 -5.723 1.00 33.20 O ATOM 1240 CB VAL A 86 4.160 7.682 -3.221 1.00 60.51 C ATOM 1241 CG1 VAL A 86 4.965 6.372 -3.057 1.00 61.45 C ATOM 1242 CG2 VAL A 86 4.510 8.752 -2.163 1.00 21.21 C ATOM 0 H VAL A 86 2.893 9.635 -4.533 1.00 23.03 H new ATOM 0 HA VAL A 86 5.522 8.298 -4.727 1.00 42.45 H new ATOM 0 HB VAL A 86 3.109 7.423 -3.093 1.00 60.51 H new ATOM 0 HG11 VAL A 86 4.770 5.946 -2.073 1.00 61.45 H new ATOM 0 HG12 VAL A 86 4.664 5.661 -3.826 1.00 61.45 H new ATOM 0 HG13 VAL A 86 6.030 6.584 -3.156 1.00 61.45 H new ATOM 0 HG21 VAL A 86 4.317 8.355 -1.166 1.00 21.21 H new ATOM 0 HG22 VAL A 86 5.563 9.019 -2.250 1.00 21.21 H new ATOM 0 HG23 VAL A 86 3.897 9.638 -2.325 1.00 21.21 H new ATOM 1252 N HIS A 87 4.466 6.616 -6.356 1.00 41.12 N ATOM 1253 CA HIS A 87 3.833 5.729 -7.299 1.00 61.00 C ATOM 1254 C HIS A 87 3.702 4.425 -6.594 1.00 71.50 C ATOM 1255 O HIS A 87 4.684 3.871 -6.138 1.00 41.23 O ATOM 1256 CB HIS A 87 4.659 5.500 -8.576 1.00 45.30 C ATOM 1257 CG HIS A 87 4.818 6.758 -9.394 1.00 32.32 C ATOM 1258 ND1 HIS A 87 3.785 7.314 -10.101 1.00 62.14 N ATOM 1259 CD2 HIS A 87 5.890 7.555 -9.565 1.00 54.14 C ATOM 1260 CE1 HIS A 87 4.223 8.423 -10.680 1.00 72.32 C ATOM 1261 NE2 HIS A 87 5.498 8.589 -10.368 1.00 55.21 N ATOM 0 H HIS A 87 5.484 6.558 -6.325 1.00 41.12 H new ATOM 0 HA HIS A 87 2.886 6.166 -7.616 1.00 61.00 H new ATOM 0 HB2 HIS A 87 5.644 5.120 -8.305 1.00 45.30 H new ATOM 0 HB3 HIS A 87 4.178 4.734 -9.184 1.00 45.30 H new ATOM 0 HD2 HIS A 87 6.874 7.405 -9.146 1.00 54.14 H new ATOM 0 HE1 HIS A 87 3.636 9.082 -11.303 1.00 72.32 H new ATOM 0 HE2 HIS A 87 6.090 9.361 -10.676 1.00 55.21 H new ATOM 1270 N LEU A 88 2.478 3.944 -6.440 1.00 44.20 N ATOM 1271 CA LEU A 88 2.228 2.720 -5.735 1.00 73.14 C ATOM 1272 C LEU A 88 1.624 1.790 -6.726 1.00 22.12 C ATOM 1273 O LEU A 88 0.781 2.188 -7.524 1.00 23.25 O ATOM 1274 CB LEU A 88 1.221 2.901 -4.573 1.00 41.21 C ATOM 1275 CG LEU A 88 1.712 3.895 -3.497 1.00 11.13 C ATOM 1276 CD1 LEU A 88 0.576 4.382 -2.586 1.00 23.31 C ATOM 1277 CD2 LEU A 88 2.923 3.362 -2.707 1.00 24.05 C ATOM 0 H LEU A 88 1.640 4.398 -6.803 1.00 44.20 H new ATOM 0 HA LEU A 88 3.161 2.355 -5.304 1.00 73.14 H new ATOM 0 HB2 LEU A 88 0.270 3.250 -4.975 1.00 41.21 H new ATOM 0 HB3 LEU A 88 1.034 1.933 -4.107 1.00 41.21 H new ATOM 0 HG LEU A 88 2.068 4.775 -4.033 1.00 11.13 H new ATOM 0 HD11 LEU A 88 0.975 5.078 -1.848 1.00 23.31 H new ATOM 0 HD12 LEU A 88 -0.182 4.885 -3.187 1.00 23.31 H new ATOM 0 HD13 LEU A 88 0.128 3.529 -2.076 1.00 23.31 H new ATOM 0 HD21 LEU A 88 3.227 4.100 -1.965 1.00 24.05 H new ATOM 0 HD22 LEU A 88 2.650 2.434 -2.205 1.00 24.05 H new ATOM 0 HD23 LEU A 88 3.750 3.175 -3.392 1.00 24.05 H new ATOM 1289 N LEU A 89 2.064 0.530 -6.708 1.00 65.22 N ATOM 1290 CA LEU A 89 1.517 -0.465 -7.595 1.00 53.24 C ATOM 1291 C LEU A 89 0.764 -1.383 -6.703 1.00 43.33 C ATOM 1292 O LEU A 89 1.322 -1.865 -5.695 1.00 0.11 O ATOM 1293 CB LEU A 89 2.620 -1.272 -8.326 1.00 64.12 C ATOM 1294 CG LEU A 89 2.132 -2.222 -9.438 1.00 42.33 C ATOM 1295 CD1 LEU A 89 1.269 -1.512 -10.488 1.00 65.31 C ATOM 1296 CD2 LEU A 89 3.307 -2.967 -10.091 1.00 35.21 C ATOM 0 H LEU A 89 2.796 0.188 -6.086 1.00 65.22 H new ATOM 0 HA LEU A 89 0.909 0.002 -8.370 1.00 53.24 H new ATOM 0 HB2 LEU A 89 3.330 -0.569 -8.761 1.00 64.12 H new ATOM 0 HB3 LEU A 89 3.165 -1.859 -7.586 1.00 64.12 H new ATOM 0 HG LEU A 89 1.489 -2.959 -8.956 1.00 42.33 H new ATOM 0 HD11 LEU A 89 0.954 -2.230 -11.246 1.00 65.31 H new ATOM 0 HD12 LEU A 89 0.390 -1.083 -10.007 1.00 65.31 H new ATOM 0 HD13 LEU A 89 1.849 -0.718 -10.959 1.00 65.31 H new ATOM 0 HD21 LEU A 89 2.930 -3.629 -10.871 1.00 35.21 H new ATOM 0 HD22 LEU A 89 3.997 -2.246 -10.529 1.00 35.21 H new ATOM 0 HD23 LEU A 89 3.829 -3.556 -9.337 1.00 35.21 H new ATOM 1308 N LEU A 90 -0.531 -1.614 -6.994 1.00 74.20 N ATOM 1309 CA LEU A 90 -1.343 -2.365 -6.078 1.00 13.43 C ATOM 1310 C LEU A 90 -2.040 -3.418 -6.830 1.00 65.22 C ATOM 1311 O LEU A 90 -2.257 -3.309 -8.032 1.00 62.20 O ATOM 1312 CB LEU A 90 -2.420 -1.551 -5.322 1.00 50.21 C ATOM 1313 CG LEU A 90 -1.840 -0.461 -4.403 1.00 53.55 C ATOM 1314 CD1 LEU A 90 -1.668 0.887 -5.110 1.00 43.41 C ATOM 1315 CD2 LEU A 90 -2.626 -0.333 -3.098 1.00 50.31 C ATOM 0 H LEU A 90 -1.007 -1.293 -7.837 1.00 74.20 H new ATOM 0 HA LEU A 90 -0.653 -2.744 -5.324 1.00 13.43 H new ATOM 0 HB2 LEU A 90 -3.087 -1.085 -6.048 1.00 50.21 H new ATOM 0 HB3 LEU A 90 -3.026 -2.233 -4.725 1.00 50.21 H new ATOM 0 HG LEU A 90 -0.835 -0.791 -4.139 1.00 53.55 H new ATOM 0 HD11 LEU A 90 -1.256 1.615 -4.411 1.00 43.41 H new ATOM 0 HD12 LEU A 90 -0.989 0.771 -5.955 1.00 43.41 H new ATOM 0 HD13 LEU A 90 -2.637 1.236 -5.468 1.00 43.41 H new ATOM 0 HD21 LEU A 90 -2.182 0.448 -2.481 1.00 50.31 H new ATOM 0 HD22 LEU A 90 -3.661 -0.074 -3.321 1.00 50.31 H new ATOM 0 HD23 LEU A 90 -2.597 -1.281 -2.561 1.00 50.31 H new ATOM 1327 N GLU A 91 -2.402 -4.475 -6.103 1.00 34.43 N ATOM 1328 CA GLU A 91 -3.177 -5.552 -6.591 1.00 33.44 C ATOM 1329 C GLU A 91 -4.420 -5.444 -5.781 1.00 24.12 C ATOM 1330 O GLU A 91 -4.349 -5.356 -4.548 1.00 41.20 O ATOM 1331 CB GLU A 91 -2.529 -6.936 -6.255 1.00 42.23 C ATOM 1332 CG GLU A 91 -3.327 -8.174 -6.718 1.00 34.00 C ATOM 1333 CD GLU A 91 -2.666 -9.403 -6.109 1.00 14.15 C ATOM 1334 OE1 GLU A 91 -2.612 -9.507 -4.852 1.00 3.04 O ATOM 1335 OE2 GLU A 91 -2.145 -10.253 -6.871 1.00 44.43 O ATOM 0 H GLU A 91 -2.139 -4.583 -5.123 1.00 34.43 H new ATOM 0 HA GLU A 91 -3.301 -5.503 -7.673 1.00 33.44 H new ATOM 0 HB2 GLU A 91 -1.539 -6.973 -6.709 1.00 42.23 H new ATOM 0 HB3 GLU A 91 -2.388 -6.999 -5.176 1.00 42.23 H new ATOM 0 HG2 GLU A 91 -4.367 -8.101 -6.399 1.00 34.00 H new ATOM 0 HG3 GLU A 91 -3.332 -8.241 -7.806 1.00 34.00 H new