USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 29 HIS : no HE2:sc= 0.158 K(o=-0.021,f=-6.7!) USER MOD Set 1.2: A 61 THR OG1 : rot -60:sc= -0.178 USER MOD Set 2.1: A 41 THR OG1 : rot -100:sc= 0.617 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 157:sc= 1.14 (180deg=0) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0.152 USER MOD Set 3.2: A 18 CYS SG : rot 101:sc= 0.356 USER MOD Set 4.1: A 14 THR OG1 : rot -65:sc= 0.299 USER MOD Set 4.2: A 15 CYS SG : rot 180:sc= 0.306 USER MOD Set 5.1: A 13 MET CE :methyl -157:sc= -1.12 (180deg=-2.12) USER MOD Set 5.2: A 42 ASN : amide:sc= 1.55 K(o=0.43,f=-1.2) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0475 F(o=-0.95,f=-0.047) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 110:sc= 0 USER MOD Single : A 27 THR OG1 : rot -82:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.044 USER MOD Single : A 36 SER OG : rot -51:sc= 0.508 USER MOD Single : A 45 HIS : no HE2:sc= 0.0642 K(o=0.064,f=-4.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.22) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 8:sc= 0.509 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.663 4.063 -11.375 1.00 1.03 N ATOM 40 CA GLY A 4 5.508 3.146 -10.636 1.00 1.22 C ATOM 41 C GLY A 4 4.573 2.121 -10.008 1.00 1.17 C ATOM 42 O GLY A 4 3.781 2.485 -9.145 1.00 1.74 O ATOM 0 HA2 GLY A 4 6.229 2.663 -11.296 1.00 1.22 H new ATOM 0 HA3 GLY A 4 6.079 3.673 -9.871 1.00 1.22 H new ATOM 46 N VAL A 5 4.604 0.866 -10.459 1.00 0.80 N ATOM 47 CA VAL A 5 3.785 -0.190 -9.877 1.00 0.79 C ATOM 48 C VAL A 5 4.461 -0.726 -8.612 1.00 0.75 C ATOM 49 O VAL A 5 5.674 -0.925 -8.588 1.00 1.07 O ATOM 50 CB VAL A 5 3.486 -1.280 -10.923 1.00 0.99 C ATOM 51 CG1 VAL A 5 4.737 -2.006 -11.438 1.00 2.31 C ATOM 52 CG2 VAL A 5 2.495 -2.304 -10.359 1.00 1.73 C ATOM 0 H VAL A 5 5.194 0.558 -11.232 1.00 0.80 H new ATOM 0 HA VAL A 5 2.817 0.209 -9.575 1.00 0.79 H new ATOM 0 HB VAL A 5 3.051 -0.760 -11.777 1.00 0.99 H new ATOM 0 HG11 VAL A 5 4.445 -2.758 -12.171 1.00 2.31 H new ATOM 0 HG12 VAL A 5 5.409 -1.286 -11.905 1.00 2.31 H new ATOM 0 HG13 VAL A 5 5.246 -2.490 -10.604 1.00 2.31 H new ATOM 0 HG21 VAL A 5 2.294 -3.068 -11.110 1.00 1.73 H new ATOM 0 HG22 VAL A 5 2.921 -2.772 -9.471 1.00 1.73 H new ATOM 0 HG23 VAL A 5 1.565 -1.802 -10.094 1.00 1.73 H new ATOM 62 N LEU A 6 3.674 -0.952 -7.560 1.00 0.66 N ATOM 63 CA LEU A 6 4.131 -1.469 -6.282 1.00 0.68 C ATOM 64 C LEU A 6 3.044 -2.375 -5.728 1.00 0.59 C ATOM 65 O LEU A 6 2.261 -2.018 -4.854 1.00 0.83 O ATOM 66 CB LEU A 6 4.516 -0.295 -5.371 1.00 0.81 C ATOM 67 CG LEU A 6 4.846 -0.627 -3.909 1.00 1.31 C ATOM 68 CD1 LEU A 6 6.002 -1.624 -3.815 1.00 1.76 C ATOM 69 CD2 LEU A 6 5.228 0.672 -3.189 1.00 2.07 C ATOM 0 H LEU A 6 2.670 -0.773 -7.581 1.00 0.66 H new ATOM 0 HA LEU A 6 5.032 -2.076 -6.372 1.00 0.68 H new ATOM 0 HB2 LEU A 6 5.381 0.204 -5.809 1.00 0.81 H new ATOM 0 HB3 LEU A 6 3.696 0.423 -5.379 1.00 0.81 H new ATOM 0 HG LEU A 6 3.972 -1.082 -3.443 1.00 1.31 H new ATOM 0 HD11 LEU A 6 6.212 -1.839 -2.767 1.00 1.76 H new ATOM 0 HD12 LEU A 6 5.729 -2.547 -4.328 1.00 1.76 H new ATOM 0 HD13 LEU A 6 6.889 -1.198 -4.283 1.00 1.76 H new ATOM 0 HD21 LEU A 6 5.466 0.454 -2.148 1.00 2.07 H new ATOM 0 HD22 LEU A 6 6.097 1.115 -3.675 1.00 2.07 H new ATOM 0 HD23 LEU A 6 4.393 1.371 -3.232 1.00 2.07 H new ATOM 81 N GLU A 7 3.020 -3.591 -6.258 1.00 0.69 N ATOM 82 CA GLU A 7 2.227 -4.664 -5.712 1.00 0.75 C ATOM 83 C GLU A 7 2.992 -5.219 -4.511 1.00 0.78 C ATOM 84 O GLU A 7 3.984 -5.935 -4.690 1.00 1.05 O ATOM 85 CB GLU A 7 2.039 -5.689 -6.823 1.00 0.91 C ATOM 86 CG GLU A 7 1.058 -6.794 -6.444 1.00 1.45 C ATOM 87 CD GLU A 7 -0.411 -6.452 -6.583 1.00 1.71 C ATOM 88 OE1 GLU A 7 -0.929 -5.838 -5.634 1.00 2.79 O ATOM 89 OE2 GLU A 7 -1.025 -6.867 -7.592 1.00 2.42 O ATOM 0 H GLU A 7 3.557 -3.854 -7.084 1.00 0.69 H new ATOM 0 HA GLU A 7 1.240 -4.353 -5.369 1.00 0.75 H new ATOM 0 HB2 GLU A 7 1.682 -5.184 -7.721 1.00 0.91 H new ATOM 0 HB3 GLU A 7 3.003 -6.133 -7.069 1.00 0.91 H new ATOM 0 HG2 GLU A 7 1.268 -7.667 -7.062 1.00 1.45 H new ATOM 0 HG3 GLU A 7 1.248 -7.082 -5.410 1.00 1.45 H new ATOM 96 N LEU A 8 2.571 -4.849 -3.298 1.00 0.59 N ATOM 97 CA LEU A 8 3.160 -5.364 -2.070 1.00 0.62 C ATOM 98 C LEU A 8 2.144 -6.222 -1.326 1.00 0.45 C ATOM 99 O LEU A 8 0.966 -5.881 -1.288 1.00 0.45 O ATOM 100 CB LEU A 8 3.786 -4.227 -1.239 1.00 0.87 C ATOM 101 CG LEU A 8 2.873 -3.153 -0.630 1.00 0.79 C ATOM 102 CD1 LEU A 8 2.196 -3.616 0.663 1.00 1.94 C ATOM 103 CD2 LEU A 8 3.743 -1.943 -0.264 1.00 1.66 C ATOM 0 H LEU A 8 1.813 -4.184 -3.145 1.00 0.59 H new ATOM 0 HA LEU A 8 3.994 -6.027 -2.301 1.00 0.62 H new ATOM 0 HB2 LEU A 8 4.342 -4.686 -0.422 1.00 0.87 H new ATOM 0 HB3 LEU A 8 4.512 -3.719 -1.873 1.00 0.87 H new ATOM 0 HG LEU A 8 2.102 -2.924 -1.366 1.00 0.79 H new ATOM 0 HD11 LEU A 8 1.563 -2.817 1.049 1.00 1.94 H new ATOM 0 HD12 LEU A 8 1.586 -4.496 0.459 1.00 1.94 H new ATOM 0 HD13 LEU A 8 2.957 -3.865 1.403 1.00 1.94 H new ATOM 0 HD21 LEU A 8 3.118 -1.164 0.172 1.00 1.66 H new ATOM 0 HD22 LEU A 8 4.502 -2.245 0.458 1.00 1.66 H new ATOM 0 HD23 LEU A 8 4.229 -1.559 -1.161 1.00 1.66 H new ATOM 115 N VAL A 9 2.586 -7.328 -0.723 1.00 0.45 N ATOM 116 CA VAL A 9 1.738 -8.131 0.148 1.00 0.44 C ATOM 117 C VAL A 9 1.631 -7.387 1.475 1.00 0.47 C ATOM 118 O VAL A 9 2.611 -6.794 1.926 1.00 0.62 O ATOM 119 CB VAL A 9 2.333 -9.540 0.318 1.00 0.55 C ATOM 120 CG1 VAL A 9 1.693 -10.326 1.470 1.00 1.76 C ATOM 121 CG2 VAL A 9 2.125 -10.334 -0.976 1.00 1.65 C ATOM 0 H VAL A 9 3.535 -7.687 -0.826 1.00 0.45 H new ATOM 0 HA VAL A 9 0.743 -8.268 -0.276 1.00 0.44 H new ATOM 0 HB VAL A 9 3.391 -9.411 0.548 1.00 0.55 H new ATOM 0 HG11 VAL A 9 2.155 -11.311 1.539 1.00 1.76 H new ATOM 0 HG12 VAL A 9 1.844 -9.788 2.406 1.00 1.76 H new ATOM 0 HG13 VAL A 9 0.625 -10.438 1.285 1.00 1.76 H new ATOM 0 HG21 VAL A 9 2.545 -11.333 -0.861 1.00 1.65 H new ATOM 0 HG22 VAL A 9 1.059 -10.411 -1.188 1.00 1.65 H new ATOM 0 HG23 VAL A 9 2.623 -9.824 -1.800 1.00 1.65 H new ATOM 131 N VAL A 10 0.436 -7.403 2.071 1.00 0.45 N ATOM 132 CA VAL A 10 0.179 -6.840 3.382 1.00 0.45 C ATOM 133 C VAL A 10 -0.256 -7.975 4.286 1.00 0.48 C ATOM 134 O VAL A 10 -1.386 -8.465 4.200 1.00 0.94 O ATOM 135 CB VAL A 10 -0.912 -5.770 3.340 1.00 0.58 C ATOM 136 CG1 VAL A 10 -1.064 -5.145 4.732 1.00 1.73 C ATOM 137 CG2 VAL A 10 -0.574 -4.660 2.361 1.00 1.48 C ATOM 0 H VAL A 10 -0.390 -7.818 1.640 1.00 0.45 H new ATOM 0 HA VAL A 10 1.085 -6.359 3.750 1.00 0.45 H new ATOM 0 HB VAL A 10 -1.835 -6.254 3.020 1.00 0.58 H new ATOM 0 HG11 VAL A 10 -1.841 -4.381 4.705 1.00 1.73 H new ATOM 0 HG12 VAL A 10 -1.339 -5.918 5.450 1.00 1.73 H new ATOM 0 HG13 VAL A 10 -0.120 -4.691 5.032 1.00 1.73 H new ATOM 0 HG21 VAL A 10 -1.374 -3.919 2.360 1.00 1.48 H new ATOM 0 HG22 VAL A 10 0.361 -4.185 2.659 1.00 1.48 H new ATOM 0 HG23 VAL A 10 -0.466 -5.078 1.360 1.00 1.48 H new ATOM 147 N ARG A 11 0.634 -8.356 5.192 1.00 0.66 N ATOM 148 CA ARG A 11 0.287 -9.284 6.234 1.00 0.74 C ATOM 149 C ARG A 11 -0.488 -8.503 7.291 1.00 0.62 C ATOM 150 O ARG A 11 -0.171 -7.358 7.598 1.00 0.86 O ATOM 151 CB ARG A 11 1.565 -9.860 6.830 1.00 0.99 C ATOM 152 CG ARG A 11 2.396 -10.633 5.803 1.00 1.36 C ATOM 153 CD ARG A 11 3.788 -10.944 6.370 1.00 1.74 C ATOM 154 NE ARG A 11 4.002 -12.381 6.576 1.00 2.81 N ATOM 155 CZ ARG A 11 3.779 -13.061 7.714 1.00 3.74 C ATOM 156 NH1 ARG A 11 3.299 -12.464 8.810 1.00 3.91 N ATOM 157 NH2 ARG A 11 4.044 -14.373 7.743 1.00 5.32 N ATOM 0 H ARG A 11 1.600 -8.031 5.218 1.00 0.66 H new ATOM 0 HA ARG A 11 -0.318 -10.107 5.854 1.00 0.74 H new ATOM 0 HB2 ARG A 11 2.166 -9.050 7.243 1.00 0.99 H new ATOM 0 HB3 ARG A 11 1.310 -10.522 7.658 1.00 0.99 H new ATOM 0 HG2 ARG A 11 1.888 -11.560 5.538 1.00 1.36 H new ATOM 0 HG3 ARG A 11 2.491 -10.049 4.888 1.00 1.36 H new ATOM 0 HD2 ARG A 11 4.548 -10.561 5.689 1.00 1.74 H new ATOM 0 HD3 ARG A 11 3.916 -10.421 7.318 1.00 1.74 H new ATOM 0 HE ARG A 11 4.353 -12.914 5.781 1.00 2.81 H new ATOM 0 HH11 ARG A 11 3.091 -11.465 8.797 1.00 3.91 H new ATOM 0 HH12 ARG A 11 3.140 -13.007 9.659 1.00 3.91 H new ATOM 0 HH21 ARG A 11 4.408 -14.838 6.912 1.00 5.32 H new ATOM 0 HH22 ARG A 11 3.882 -14.907 8.597 1.00 5.32 H new ATOM 171 N GLY A 12 -1.553 -9.114 7.797 1.00 0.80 N ATOM 172 CA GLY A 12 -2.189 -8.735 9.050 1.00 0.94 C ATOM 173 C GLY A 12 -3.542 -8.083 8.811 1.00 0.95 C ATOM 174 O GLY A 12 -4.501 -8.354 9.530 1.00 1.57 O ATOM 0 H GLY A 12 -2.007 -9.903 7.337 1.00 0.80 H new ATOM 0 HA2 GLY A 12 -2.314 -9.617 9.677 1.00 0.94 H new ATOM 0 HA3 GLY A 12 -1.543 -8.046 9.594 1.00 0.94 H new ATOM 178 N MET A 13 -3.625 -7.217 7.798 1.00 0.82 N ATOM 179 CA MET A 13 -4.861 -6.517 7.499 1.00 0.96 C ATOM 180 C MET A 13 -6.004 -7.491 7.205 1.00 1.01 C ATOM 181 O MET A 13 -5.793 -8.522 6.557 1.00 1.52 O ATOM 182 CB MET A 13 -4.652 -5.508 6.374 1.00 1.57 C ATOM 183 CG MET A 13 -4.521 -6.207 5.033 1.00 0.84 C ATOM 184 SD MET A 13 -4.282 -5.080 3.669 1.00 1.46 S ATOM 185 CE MET A 13 -4.502 -6.313 2.402 1.00 1.41 C ATOM 0 H MET A 13 -2.849 -6.989 7.177 1.00 0.82 H new ATOM 0 HA MET A 13 -5.157 -5.957 8.386 1.00 0.96 H new ATOM 0 HB2 MET A 13 -5.490 -4.812 6.345 1.00 1.57 H new ATOM 0 HB3 MET A 13 -3.756 -4.920 6.570 1.00 1.57 H new ATOM 0 HG2 MET A 13 -3.681 -6.901 5.073 1.00 0.84 H new ATOM 0 HG3 MET A 13 -5.417 -6.801 4.852 1.00 0.84 H new ATOM 0 HE1 MET A 13 -4.015 -5.983 1.484 1.00 1.41 H new ATOM 0 HE2 MET A 13 -4.060 -7.254 2.729 1.00 1.41 H new ATOM 0 HE3 MET A 13 -5.566 -6.458 2.216 1.00 1.41 H new ATOM 195 N THR A 14 -7.210 -7.134 7.652 1.00 0.91 N ATOM 196 CA THR A 14 -8.425 -7.894 7.430 1.00 1.31 C ATOM 197 C THR A 14 -9.628 -6.953 7.273 1.00 1.53 C ATOM 198 O THR A 14 -9.737 -5.947 7.974 1.00 2.97 O ATOM 199 CB THR A 14 -8.610 -8.918 8.562 1.00 1.47 C ATOM 200 OG1 THR A 14 -9.738 -9.728 8.294 1.00 2.36 O ATOM 201 CG2 THR A 14 -8.769 -8.266 9.940 1.00 1.24 C ATOM 0 H THR A 14 -7.364 -6.283 8.193 1.00 0.91 H new ATOM 0 HA THR A 14 -8.347 -8.452 6.497 1.00 1.31 H new ATOM 0 HB THR A 14 -7.702 -9.521 8.593 1.00 1.47 H new ATOM 0 HG1 THR A 14 -10.549 -9.178 8.316 1.00 2.36 H new ATOM 0 HG21 THR A 14 -8.896 -9.040 10.696 1.00 1.24 H new ATOM 0 HG22 THR A 14 -7.881 -7.677 10.169 1.00 1.24 H new ATOM 0 HG23 THR A 14 -9.644 -7.616 9.936 1.00 1.24 H new ATOM 209 N CYS A 15 -10.538 -7.318 6.363 1.00 1.31 N ATOM 210 CA CYS A 15 -11.873 -6.747 6.204 1.00 1.32 C ATOM 211 C CYS A 15 -11.882 -5.311 5.670 1.00 1.12 C ATOM 212 O CYS A 15 -10.877 -4.598 5.691 1.00 1.36 O ATOM 213 CB CYS A 15 -12.696 -6.867 7.500 1.00 1.57 C ATOM 214 SG CYS A 15 -12.954 -8.607 7.926 1.00 3.04 S ATOM 0 H CYS A 15 -10.350 -8.057 5.685 1.00 1.31 H new ATOM 0 HA CYS A 15 -12.353 -7.348 5.432 1.00 1.32 H new ATOM 0 HB2 CYS A 15 -12.179 -6.360 8.315 1.00 1.57 H new ATOM 0 HB3 CYS A 15 -13.658 -6.370 7.374 1.00 1.57 H new ATOM 0 HG CYS A 15 -13.648 -8.687 9.023 1.00 3.04 H new ATOM 220 N ALA A 16 -13.068 -4.892 5.209 1.00 0.94 N ATOM 221 CA ALA A 16 -13.378 -3.567 4.672 1.00 0.83 C ATOM 222 C ALA A 16 -12.790 -2.443 5.530 1.00 0.80 C ATOM 223 O ALA A 16 -12.360 -1.413 5.020 1.00 1.34 O ATOM 224 CB ALA A 16 -14.897 -3.421 4.567 1.00 0.87 C ATOM 0 H ALA A 16 -13.882 -5.507 5.202 1.00 0.94 H new ATOM 0 HA ALA A 16 -12.922 -3.479 3.686 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -15.141 -2.437 4.168 1.00 0.87 H new ATOM 0 HB2 ALA A 16 -15.291 -4.190 3.903 1.00 0.87 H new ATOM 0 HB3 ALA A 16 -15.342 -3.532 5.556 1.00 0.87 H new ATOM 230 N SER A 17 -12.772 -2.656 6.845 1.00 0.61 N ATOM 231 CA SER A 17 -12.134 -1.774 7.805 1.00 0.62 C ATOM 232 C SER A 17 -10.653 -1.537 7.482 1.00 0.61 C ATOM 233 O SER A 17 -10.279 -0.470 7.013 1.00 0.80 O ATOM 234 CB SER A 17 -12.316 -2.385 9.190 1.00 0.86 C ATOM 235 OG SER A 17 -11.723 -3.677 9.249 1.00 0.97 O ATOM 0 H SER A 17 -13.213 -3.468 7.277 1.00 0.61 H new ATOM 0 HA SER A 17 -12.602 -0.790 7.763 1.00 0.62 H new ATOM 0 HB2 SER A 17 -11.865 -1.737 9.941 1.00 0.86 H new ATOM 0 HB3 SER A 17 -13.378 -2.455 9.426 1.00 0.86 H new ATOM 0 HG SER A 17 -11.848 -4.054 10.145 1.00 0.97 H new ATOM 241 N CYS A 18 -9.781 -2.514 7.740 1.00 0.61 N ATOM 242 CA CYS A 18 -8.349 -2.351 7.508 1.00 0.56 C ATOM 243 C CYS A 18 -8.110 -1.918 6.066 1.00 0.58 C ATOM 244 O CYS A 18 -7.260 -1.071 5.798 1.00 0.65 O ATOM 245 CB CYS A 18 -7.569 -3.632 7.796 1.00 0.72 C ATOM 246 SG CYS A 18 -7.722 -4.141 9.525 1.00 1.09 S ATOM 0 H CYS A 18 -10.045 -3.427 8.110 1.00 0.61 H new ATOM 0 HA CYS A 18 -7.989 -1.585 8.195 1.00 0.56 H new ATOM 0 HB2 CYS A 18 -7.931 -4.431 7.149 1.00 0.72 H new ATOM 0 HB3 CYS A 18 -6.517 -3.479 7.554 1.00 0.72 H new ATOM 0 HG CYS A 18 -8.592 -5.103 9.619 1.00 1.09 H new ATOM 252 N VAL A 19 -8.905 -2.467 5.144 1.00 0.63 N ATOM 253 CA VAL A 19 -8.907 -2.048 3.755 1.00 0.76 C ATOM 254 C VAL A 19 -9.011 -0.520 3.637 1.00 0.74 C ATOM 255 O VAL A 19 -8.072 0.143 3.189 1.00 0.88 O ATOM 256 CB VAL A 19 -10.025 -2.799 3.015 1.00 0.85 C ATOM 257 CG1 VAL A 19 -10.464 -2.167 1.690 1.00 0.98 C ATOM 258 CG2 VAL A 19 -9.619 -4.255 2.786 1.00 1.02 C ATOM 0 H VAL A 19 -9.565 -3.217 5.349 1.00 0.63 H new ATOM 0 HA VAL A 19 -7.961 -2.307 3.279 1.00 0.76 H new ATOM 0 HB VAL A 19 -10.894 -2.736 3.670 1.00 0.85 H new ATOM 0 HG11 VAL A 19 -11.256 -2.769 1.244 1.00 0.98 H new ATOM 0 HG12 VAL A 19 -10.835 -1.158 1.873 1.00 0.98 H new ATOM 0 HG13 VAL A 19 -9.614 -2.123 1.009 1.00 0.98 H new ATOM 0 HG21 VAL A 19 -10.419 -4.777 2.261 1.00 1.02 H new ATOM 0 HG22 VAL A 19 -8.709 -4.289 2.187 1.00 1.02 H new ATOM 0 HG23 VAL A 19 -9.440 -4.738 3.746 1.00 1.02 H new ATOM 268 N HIS A 20 -10.144 0.057 4.057 1.00 0.68 N ATOM 269 CA HIS A 20 -10.350 1.487 3.893 1.00 0.86 C ATOM 270 C HIS A 20 -9.405 2.295 4.784 1.00 0.81 C ATOM 271 O HIS A 20 -9.118 3.447 4.475 1.00 0.97 O ATOM 272 CB HIS A 20 -11.838 1.885 3.930 1.00 0.99 C ATOM 273 CG HIS A 20 -12.522 2.186 5.246 1.00 0.98 C ATOM 274 ND1 HIS A 20 -12.054 2.023 6.522 1.00 1.28 N flip ATOM 275 CD2 HIS A 20 -13.750 2.801 5.352 1.00 0.99 C flip ATOM 276 CE1 HIS A 20 -12.992 2.541 7.413 1.00 1.23 C flip ATOM 277 NE2 HIS A 20 -13.996 3.000 6.657 1.00 1.08 N flip ATOM 0 H HIS A 20 -10.914 -0.440 4.504 1.00 0.68 H new ATOM 0 HA HIS A 20 -10.059 1.764 2.880 1.00 0.86 H new ATOM 0 HB2 HIS A 20 -11.950 2.768 3.300 1.00 0.99 H new ATOM 0 HB3 HIS A 20 -12.398 1.080 3.454 1.00 0.99 H new ATOM 0 HD2 HIS A 20 -14.398 3.074 4.533 1.00 0.99 H new ATOM 0 HE1 HIS A 20 -12.923 2.567 8.490 1.00 1.23 H new ATOM 0 HE2 HIS A 20 -14.838 3.443 7.024 1.00 1.08 H new ATOM 285 N LYS A 21 -8.889 1.696 5.865 1.00 0.65 N ATOM 286 CA LYS A 21 -7.890 2.319 6.715 1.00 0.62 C ATOM 287 C LYS A 21 -6.660 2.611 5.864 1.00 0.54 C ATOM 288 O LYS A 21 -6.217 3.757 5.782 1.00 0.55 O ATOM 289 CB LYS A 21 -7.547 1.395 7.898 1.00 0.63 C ATOM 290 CG LYS A 21 -6.728 2.080 9.000 1.00 0.71 C ATOM 291 CD LYS A 21 -7.653 2.874 9.925 1.00 1.67 C ATOM 292 CE LYS A 21 -6.855 3.526 11.064 1.00 2.12 C ATOM 293 NZ LYS A 21 -7.731 4.242 12.015 1.00 3.49 N ATOM 0 H LYS A 21 -9.160 0.761 6.168 1.00 0.65 H new ATOM 0 HA LYS A 21 -8.271 3.251 7.133 1.00 0.62 H new ATOM 0 HB2 LYS A 21 -8.472 1.014 8.330 1.00 0.63 H new ATOM 0 HB3 LYS A 21 -6.991 0.535 7.526 1.00 0.63 H new ATOM 0 HG2 LYS A 21 -6.180 1.333 9.574 1.00 0.71 H new ATOM 0 HG3 LYS A 21 -5.988 2.745 8.554 1.00 0.71 H new ATOM 0 HD2 LYS A 21 -8.174 3.642 9.354 1.00 1.67 H new ATOM 0 HD3 LYS A 21 -8.414 2.214 10.340 1.00 1.67 H new ATOM 0 HE2 LYS A 21 -6.292 2.760 11.597 1.00 2.12 H new ATOM 0 HE3 LYS A 21 -6.129 4.223 10.645 1.00 2.12 H new ATOM 0 HZ1 LYS A 21 -7.152 4.667 12.767 1.00 3.49 H new ATOM 0 HZ2 LYS A 21 -8.250 4.990 11.513 1.00 3.49 H new ATOM 0 HZ3 LYS A 21 -8.408 3.573 12.435 1.00 3.49 H new ATOM 307 N ILE A 22 -6.124 1.565 5.229 1.00 0.50 N ATOM 308 CA ILE A 22 -4.957 1.684 4.371 1.00 0.49 C ATOM 309 C ILE A 22 -5.262 2.695 3.267 1.00 0.56 C ATOM 310 O ILE A 22 -4.570 3.703 3.163 1.00 0.54 O ATOM 311 CB ILE A 22 -4.536 0.302 3.835 1.00 0.47 C ATOM 312 CG1 ILE A 22 -4.079 -0.584 5.006 1.00 0.43 C ATOM 313 CG2 ILE A 22 -3.399 0.434 2.811 1.00 0.51 C ATOM 314 CD1 ILE A 22 -3.945 -2.052 4.643 1.00 0.47 C ATOM 0 H ILE A 22 -6.491 0.616 5.299 1.00 0.50 H new ATOM 0 HA ILE A 22 -4.101 2.056 4.934 1.00 0.49 H new ATOM 0 HB ILE A 22 -5.393 -0.154 3.339 1.00 0.47 H new ATOM 0 HG12 ILE A 22 -3.119 -0.220 5.373 1.00 0.43 H new ATOM 0 HG13 ILE A 22 -4.791 -0.485 5.825 1.00 0.43 H new ATOM 0 HG21 ILE A 22 -3.120 -0.555 2.448 1.00 0.51 H new ATOM 0 HG22 ILE A 22 -3.733 1.047 1.974 1.00 0.51 H new ATOM 0 HG23 ILE A 22 -2.536 0.904 3.284 1.00 0.51 H new ATOM 0 HD11 ILE A 22 -3.619 -2.615 5.518 1.00 0.47 H new ATOM 0 HD12 ILE A 22 -4.909 -2.433 4.305 1.00 0.47 H new ATOM 0 HD13 ILE A 22 -3.211 -2.164 3.845 1.00 0.47 H new ATOM 326 N GLU A 23 -6.299 2.460 2.461 1.00 0.67 N ATOM 327 CA GLU A 23 -6.586 3.341 1.334 1.00 0.75 C ATOM 328 C GLU A 23 -6.780 4.795 1.787 1.00 0.76 C ATOM 329 O GLU A 23 -6.069 5.693 1.328 1.00 0.80 O ATOM 330 CB GLU A 23 -7.768 2.788 0.524 1.00 0.86 C ATOM 331 CG GLU A 23 -7.260 1.612 -0.323 1.00 1.11 C ATOM 332 CD GLU A 23 -8.336 0.873 -1.112 1.00 1.84 C ATOM 333 OE1 GLU A 23 -9.511 1.282 -0.993 1.00 2.32 O ATOM 334 OE2 GLU A 23 -7.959 -0.092 -1.820 1.00 3.12 O ATOM 0 H GLU A 23 -6.945 1.677 2.567 1.00 0.67 H new ATOM 0 HA GLU A 23 -5.724 3.362 0.668 1.00 0.75 H new ATOM 0 HB2 GLU A 23 -8.565 2.460 1.191 1.00 0.86 H new ATOM 0 HB3 GLU A 23 -8.187 3.565 -0.116 1.00 0.86 H new ATOM 0 HG2 GLU A 23 -6.510 1.984 -1.021 1.00 1.11 H new ATOM 0 HG3 GLU A 23 -6.759 0.901 0.334 1.00 1.11 H new ATOM 341 N SER A 24 -7.716 5.041 2.705 1.00 0.78 N ATOM 342 CA SER A 24 -8.029 6.389 3.163 1.00 0.81 C ATOM 343 C SER A 24 -6.797 7.068 3.776 1.00 0.84 C ATOM 344 O SER A 24 -6.577 8.257 3.548 1.00 1.01 O ATOM 345 CB SER A 24 -9.240 6.366 4.113 1.00 0.87 C ATOM 346 OG SER A 24 -9.714 7.678 4.346 1.00 1.16 O ATOM 0 H SER A 24 -8.275 4.312 3.149 1.00 0.78 H new ATOM 0 HA SER A 24 -8.311 6.997 2.304 1.00 0.81 H new ATOM 0 HB2 SER A 24 -10.035 5.757 3.683 1.00 0.87 H new ATOM 0 HB3 SER A 24 -8.959 5.902 5.058 1.00 0.87 H new ATOM 0 HG SER A 24 -10.485 7.645 4.951 1.00 1.16 H new ATOM 352 N SER A 25 -5.972 6.329 4.527 1.00 0.71 N ATOM 353 CA SER A 25 -4.731 6.877 5.058 1.00 0.68 C ATOM 354 C SER A 25 -3.763 7.219 3.919 1.00 0.66 C ATOM 355 O SER A 25 -3.371 8.373 3.749 1.00 0.76 O ATOM 356 CB SER A 25 -4.112 5.896 6.064 1.00 0.67 C ATOM 357 OG SER A 25 -2.960 6.452 6.667 1.00 0.86 O ATOM 0 H SER A 25 -6.145 5.355 4.777 1.00 0.71 H new ATOM 0 HA SER A 25 -4.945 7.805 5.588 1.00 0.68 H new ATOM 0 HB2 SER A 25 -4.844 5.646 6.832 1.00 0.67 H new ATOM 0 HB3 SER A 25 -3.850 4.967 5.558 1.00 0.67 H new ATOM 0 HG SER A 25 -3.148 6.655 7.607 1.00 0.86 H new ATOM 363 N LEU A 26 -3.353 6.223 3.134 1.00 0.65 N ATOM 364 CA LEU A 26 -2.266 6.411 2.188 1.00 0.68 C ATOM 365 C LEU A 26 -2.629 7.408 1.093 1.00 0.61 C ATOM 366 O LEU A 26 -1.749 8.123 0.626 1.00 0.62 O ATOM 367 CB LEU A 26 -1.806 5.085 1.576 1.00 0.80 C ATOM 368 CG LEU A 26 -0.829 4.263 2.429 1.00 0.81 C ATOM 369 CD1 LEU A 26 0.488 5.012 2.629 1.00 2.64 C ATOM 370 CD2 LEU A 26 -1.366 3.818 3.792 1.00 2.32 C ATOM 0 H LEU A 26 -3.757 5.286 3.138 1.00 0.65 H new ATOM 0 HA LEU A 26 -1.433 6.826 2.755 1.00 0.68 H new ATOM 0 HB2 LEU A 26 -2.686 4.474 1.374 1.00 0.80 H new ATOM 0 HB3 LEU A 26 -1.335 5.293 0.615 1.00 0.80 H new ATOM 0 HG LEU A 26 -0.674 3.352 1.852 1.00 0.81 H new ATOM 0 HD11 LEU A 26 1.162 4.408 3.236 1.00 2.64 H new ATOM 0 HD12 LEU A 26 0.948 5.205 1.660 1.00 2.64 H new ATOM 0 HD13 LEU A 26 0.295 5.959 3.134 1.00 2.64 H new ATOM 0 HD21 LEU A 26 -0.601 3.245 4.315 1.00 2.32 H new ATOM 0 HD22 LEU A 26 -1.630 4.695 4.383 1.00 2.32 H new ATOM 0 HD23 LEU A 26 -2.250 3.197 3.650 1.00 2.32 H new ATOM 382 N THR A 27 -3.896 7.509 0.685 1.00 0.64 N ATOM 383 CA THR A 27 -4.280 8.454 -0.365 1.00 0.63 C ATOM 384 C THR A 27 -3.984 9.920 -0.009 1.00 0.67 C ATOM 385 O THR A 27 -4.054 10.779 -0.884 1.00 1.25 O ATOM 386 CB THR A 27 -5.745 8.254 -0.776 1.00 0.66 C ATOM 387 OG1 THR A 27 -6.589 8.216 0.358 1.00 2.25 O ATOM 388 CG2 THR A 27 -5.918 6.976 -1.603 1.00 2.00 C ATOM 0 H THR A 27 -4.665 6.955 1.061 1.00 0.64 H new ATOM 0 HA THR A 27 -3.649 8.230 -1.225 1.00 0.63 H new ATOM 0 HB THR A 27 -6.030 9.106 -1.394 1.00 0.66 H new ATOM 0 HG1 THR A 27 -6.571 7.318 0.749 1.00 2.25 H new ATOM 0 HG21 THR A 27 -6.966 6.861 -1.880 1.00 2.00 H new ATOM 0 HG22 THR A 27 -5.310 7.041 -2.505 1.00 2.00 H new ATOM 0 HG23 THR A 27 -5.602 6.116 -1.013 1.00 2.00 H new ATOM 396 N LYS A 28 -3.626 10.234 1.243 1.00 0.65 N ATOM 397 CA LYS A 28 -3.144 11.565 1.590 1.00 0.62 C ATOM 398 C LYS A 28 -1.757 11.859 0.984 1.00 0.61 C ATOM 399 O LYS A 28 -1.381 13.026 0.864 1.00 0.82 O ATOM 400 CB LYS A 28 -3.136 11.728 3.116 1.00 0.77 C ATOM 401 CG LYS A 28 -4.474 11.401 3.803 1.00 1.60 C ATOM 402 CD LYS A 28 -5.685 12.142 3.223 1.00 3.00 C ATOM 403 CE LYS A 28 -6.934 11.763 4.032 1.00 4.23 C ATOM 404 NZ LYS A 28 -8.180 12.227 3.389 1.00 5.64 N ATOM 0 H LYS A 28 -3.663 9.582 2.026 1.00 0.65 H new ATOM 0 HA LYS A 28 -3.826 12.297 1.158 1.00 0.62 H new ATOM 0 HB2 LYS A 28 -2.362 11.084 3.533 1.00 0.77 H new ATOM 0 HB3 LYS A 28 -2.860 12.755 3.357 1.00 0.77 H new ATOM 0 HG2 LYS A 28 -4.652 10.328 3.731 1.00 1.60 H new ATOM 0 HG3 LYS A 28 -4.391 11.640 4.863 1.00 1.60 H new ATOM 0 HD2 LYS A 28 -5.522 13.219 3.263 1.00 3.00 H new ATOM 0 HD3 LYS A 28 -5.821 11.879 2.174 1.00 3.00 H new ATOM 0 HE2 LYS A 28 -6.971 10.680 4.153 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -6.861 12.193 5.031 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -8.996 11.948 3.971 1.00 5.64 H new ATOM 0 HZ2 LYS A 28 -8.158 13.263 3.297 1.00 5.64 H new ATOM 0 HZ3 LYS A 28 -8.265 11.797 2.446 1.00 5.64 H new ATOM 418 N HIS A 29 -0.982 10.830 0.622 1.00 0.60 N ATOM 419 CA HIS A 29 0.363 10.984 0.079 1.00 0.83 C ATOM 420 C HIS A 29 0.278 11.593 -1.319 1.00 0.97 C ATOM 421 O HIS A 29 -0.228 10.963 -2.245 1.00 2.34 O ATOM 422 CB HIS A 29 1.077 9.625 0.017 1.00 1.02 C ATOM 423 CG HIS A 29 1.442 9.041 1.360 1.00 0.71 C ATOM 424 ND1 HIS A 29 2.657 8.516 1.728 1.00 1.48 N ATOM 425 CD2 HIS A 29 0.612 8.905 2.436 1.00 0.91 C ATOM 426 CE1 HIS A 29 2.544 8.068 2.988 1.00 0.94 C ATOM 427 NE2 HIS A 29 1.314 8.293 3.470 1.00 0.91 N ATOM 0 H HIS A 29 -1.279 9.857 0.701 1.00 0.60 H new ATOM 0 HA HIS A 29 0.936 11.644 0.730 1.00 0.83 H new ATOM 0 HB2 HIS A 29 0.436 8.917 -0.509 1.00 1.02 H new ATOM 0 HB3 HIS A 29 1.986 9.734 -0.575 1.00 1.02 H new ATOM 0 HD1 HIS A 29 3.495 8.474 1.148 1.00 1.48 H new ATOM 0 HD2 HIS A 29 -0.420 9.221 2.478 1.00 0.91 H new ATOM 0 HE1 HIS A 29 3.339 7.589 3.540 1.00 0.94 H new ATOM 435 N ARG A 30 0.809 12.803 -1.509 1.00 1.18 N ATOM 436 CA ARG A 30 0.690 13.542 -2.765 1.00 1.27 C ATOM 437 C ARG A 30 1.667 13.043 -3.840 1.00 1.20 C ATOM 438 O ARG A 30 2.323 13.838 -4.508 1.00 1.99 O ATOM 439 CB ARG A 30 0.847 15.047 -2.505 1.00 1.53 C ATOM 440 CG ARG A 30 -0.173 15.567 -1.483 1.00 2.39 C ATOM 441 CD ARG A 30 -0.022 17.086 -1.327 1.00 2.90 C ATOM 442 NE ARG A 30 -0.916 17.623 -0.286 1.00 4.21 N ATOM 443 CZ ARG A 30 -0.682 17.578 1.037 1.00 5.45 C ATOM 444 NH1 ARG A 30 0.404 16.950 1.501 1.00 5.86 N ATOM 445 NH2 ARG A 30 -1.534 18.161 1.887 1.00 6.86 N ATOM 0 H ARG A 30 1.336 13.299 -0.791 1.00 1.18 H new ATOM 0 HA ARG A 30 -0.308 13.360 -3.165 1.00 1.27 H new ATOM 0 HB2 ARG A 30 1.856 15.249 -2.144 1.00 1.53 H new ATOM 0 HB3 ARG A 30 0.729 15.590 -3.443 1.00 1.53 H new ATOM 0 HG2 ARG A 30 -1.184 15.324 -1.809 1.00 2.39 H new ATOM 0 HG3 ARG A 30 -0.021 15.076 -0.522 1.00 2.39 H new ATOM 0 HD2 ARG A 30 1.012 17.324 -1.076 1.00 2.90 H new ATOM 0 HD3 ARG A 30 -0.239 17.572 -2.278 1.00 2.90 H new ATOM 0 HE ARG A 30 -1.782 18.065 -0.594 1.00 4.21 H new ATOM 0 HH11 ARG A 30 1.053 16.506 0.851 1.00 5.86 H new ATOM 0 HH12 ARG A 30 0.583 16.915 2.505 1.00 5.86 H new ATOM 0 HH21 ARG A 30 -2.361 18.640 1.531 1.00 6.86 H new ATOM 0 HH22 ARG A 30 -1.356 18.127 2.891 1.00 6.86 H new ATOM 459 N GLY A 31 1.747 11.724 -4.006 1.00 0.72 N ATOM 460 CA GLY A 31 2.447 11.056 -5.089 1.00 0.93 C ATOM 461 C GLY A 31 2.126 9.561 -5.102 1.00 0.59 C ATOM 462 O GLY A 31 2.927 8.760 -5.582 1.00 0.78 O ATOM 0 H GLY A 31 1.306 11.069 -3.360 1.00 0.72 H new ATOM 0 HA2 GLY A 31 2.162 11.502 -6.042 1.00 0.93 H new ATOM 0 HA3 GLY A 31 3.522 11.201 -4.978 1.00 0.93 H new ATOM 466 N ILE A 32 0.967 9.174 -4.548 1.00 0.64 N ATOM 467 CA ILE A 32 0.441 7.827 -4.661 1.00 0.55 C ATOM 468 C ILE A 32 -0.738 7.904 -5.627 1.00 0.60 C ATOM 469 O ILE A 32 -1.658 8.694 -5.428 1.00 0.81 O ATOM 470 CB ILE A 32 0.115 7.235 -3.276 1.00 0.67 C ATOM 471 CG1 ILE A 32 0.059 5.704 -3.351 1.00 1.62 C ATOM 472 CG2 ILE A 32 -1.192 7.752 -2.677 1.00 1.92 C ATOM 473 CD1 ILE A 32 -0.279 5.061 -2.004 1.00 2.44 C ATOM 0 H ILE A 32 0.372 9.801 -4.007 1.00 0.64 H new ATOM 0 HA ILE A 32 1.172 7.127 -5.065 1.00 0.55 H new ATOM 0 HB ILE A 32 0.921 7.561 -2.618 1.00 0.67 H new ATOM 0 HG12 ILE A 32 -0.687 5.407 -4.089 1.00 1.62 H new ATOM 0 HG13 ILE A 32 1.020 5.326 -3.699 1.00 1.62 H new ATOM 0 HG21 ILE A 32 -1.353 7.291 -1.703 1.00 1.92 H new ATOM 0 HG22 ILE A 32 -1.136 8.834 -2.561 1.00 1.92 H new ATOM 0 HG23 ILE A 32 -2.020 7.500 -3.339 1.00 1.92 H new ATOM 0 HD11 ILE A 32 -0.306 3.977 -2.115 1.00 2.44 H new ATOM 0 HD12 ILE A 32 0.480 5.332 -1.271 1.00 2.44 H new ATOM 0 HD13 ILE A 32 -1.253 5.415 -1.666 1.00 2.44 H new ATOM 485 N LEU A 33 -0.676 7.136 -6.712 1.00 0.61 N ATOM 486 CA LEU A 33 -1.667 7.157 -7.772 1.00 0.78 C ATOM 487 C LEU A 33 -2.819 6.230 -7.400 1.00 0.81 C ATOM 488 O LEU A 33 -3.975 6.532 -7.688 1.00 0.91 O ATOM 489 CB LEU A 33 -1.025 6.720 -9.098 1.00 1.00 C ATOM 490 CG LEU A 33 0.183 7.576 -9.517 1.00 1.06 C ATOM 491 CD1 LEU A 33 0.870 6.915 -10.716 1.00 1.89 C ATOM 492 CD2 LEU A 33 -0.237 9.005 -9.883 1.00 1.33 C ATOM 0 H LEU A 33 0.080 6.471 -6.877 1.00 0.61 H new ATOM 0 HA LEU A 33 -2.052 8.169 -7.896 1.00 0.78 H new ATOM 0 HB2 LEU A 33 -0.709 5.680 -9.012 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -1.777 6.761 -9.886 1.00 1.00 H new ATOM 0 HG LEU A 33 0.870 7.639 -8.673 1.00 1.06 H new ATOM 0 HD11 LEU A 33 1.728 7.515 -11.020 1.00 1.89 H new ATOM 0 HD12 LEU A 33 1.206 5.916 -10.438 1.00 1.89 H new ATOM 0 HD13 LEU A 33 0.166 6.843 -11.545 1.00 1.89 H new ATOM 0 HD21 LEU A 33 0.642 9.580 -10.174 1.00 1.33 H new ATOM 0 HD22 LEU A 33 -0.942 8.976 -10.714 1.00 1.33 H new ATOM 0 HD23 LEU A 33 -0.710 9.477 -9.022 1.00 1.33 H new ATOM 504 N TYR A 34 -2.513 5.081 -6.786 1.00 0.80 N ATOM 505 CA TYR A 34 -3.489 4.075 -6.452 1.00 0.93 C ATOM 506 C TYR A 34 -2.935 3.275 -5.282 1.00 0.92 C ATOM 507 O TYR A 34 -1.720 3.244 -5.100 1.00 0.90 O ATOM 508 CB TYR A 34 -3.676 3.194 -7.691 1.00 1.20 C ATOM 509 CG TYR A 34 -4.986 2.459 -7.771 1.00 1.26 C ATOM 510 CD1 TYR A 34 -6.188 3.176 -7.641 1.00 1.41 C ATOM 511 CD2 TYR A 34 -5.008 1.125 -8.208 1.00 2.53 C ATOM 512 CE1 TYR A 34 -7.412 2.534 -7.857 1.00 1.43 C ATOM 513 CE2 TYR A 34 -6.232 0.515 -8.516 1.00 2.68 C ATOM 514 CZ TYR A 34 -7.438 1.203 -8.305 1.00 1.56 C ATOM 515 OH TYR A 34 -8.624 0.577 -8.541 1.00 1.98 O ATOM 0 H TYR A 34 -1.563 4.835 -6.509 1.00 0.80 H new ATOM 0 HA TYR A 34 -4.453 4.497 -6.167 1.00 0.93 H new ATOM 0 HB2 TYR A 34 -3.575 3.819 -8.578 1.00 1.20 H new ATOM 0 HB3 TYR A 34 -2.867 2.464 -7.722 1.00 1.20 H new ATOM 0 HD1 TYR A 34 -6.167 4.222 -7.374 1.00 1.41 H new ATOM 0 HD2 TYR A 34 -4.086 0.571 -8.306 1.00 2.53 H new ATOM 0 HE1 TYR A 34 -8.337 3.062 -7.679 1.00 1.43 H new ATOM 0 HE2 TYR A 34 -6.248 -0.488 -8.917 1.00 2.68 H new ATOM 0 HH TYR A 34 -8.455 -0.339 -8.846 1.00 1.98 H new ATOM 525 N CYS A 35 -3.807 2.638 -4.502 1.00 1.05 N ATOM 526 CA CYS A 35 -3.423 1.815 -3.362 1.00 1.16 C ATOM 527 C CYS A 35 -4.421 0.674 -3.248 1.00 1.42 C ATOM 528 O CYS A 35 -5.116 0.553 -2.253 1.00 2.36 O ATOM 529 CB CYS A 35 -3.368 2.669 -2.092 1.00 1.11 C ATOM 530 SG CYS A 35 -2.630 1.693 -0.755 1.00 2.51 S ATOM 0 H CYS A 35 -4.815 2.682 -4.649 1.00 1.05 H new ATOM 0 HA CYS A 35 -2.426 1.396 -3.500 1.00 1.16 H new ATOM 0 HB2 CYS A 35 -2.780 3.570 -2.269 1.00 1.11 H new ATOM 0 HB3 CYS A 35 -4.371 2.993 -1.812 1.00 1.11 H new ATOM 0 HG CYS A 35 -2.577 2.411 0.328 1.00 2.51 H new ATOM 536 N SER A 36 -4.531 -0.153 -4.291 1.00 0.81 N ATOM 537 CA SER A 36 -5.676 -1.042 -4.431 1.00 0.71 C ATOM 538 C SER A 36 -5.497 -2.211 -3.468 1.00 0.44 C ATOM 539 O SER A 36 -4.809 -3.182 -3.807 1.00 0.49 O ATOM 540 CB SER A 36 -5.863 -1.461 -5.902 1.00 0.96 C ATOM 541 OG SER A 36 -6.209 -2.824 -6.070 1.00 2.28 O ATOM 0 H SER A 36 -3.845 -0.222 -5.043 1.00 0.81 H new ATOM 0 HA SER A 36 -6.603 -0.535 -4.162 1.00 0.71 H new ATOM 0 HB2 SER A 36 -6.639 -0.841 -6.350 1.00 0.96 H new ATOM 0 HB3 SER A 36 -4.941 -1.260 -6.447 1.00 0.96 H new ATOM 0 HG SER A 36 -5.582 -3.385 -5.567 1.00 2.28 H new ATOM 547 N VAL A 37 -6.077 -2.106 -2.267 1.00 0.38 N ATOM 548 CA VAL A 37 -5.790 -3.044 -1.197 1.00 0.35 C ATOM 549 C VAL A 37 -6.750 -4.234 -1.231 1.00 0.40 C ATOM 550 O VAL A 37 -7.767 -4.308 -0.542 1.00 0.55 O ATOM 551 CB VAL A 37 -5.536 -2.321 0.135 1.00 0.45 C ATOM 552 CG1 VAL A 37 -6.777 -1.902 0.913 1.00 1.42 C ATOM 553 CG2 VAL A 37 -4.726 -3.224 1.055 1.00 1.62 C ATOM 0 H VAL A 37 -6.747 -1.378 -2.020 1.00 0.38 H new ATOM 0 HA VAL A 37 -4.830 -3.536 -1.353 1.00 0.35 H new ATOM 0 HB VAL A 37 -5.017 -1.407 -0.153 1.00 0.45 H new ATOM 0 HG11 VAL A 37 -6.477 -1.402 1.834 1.00 1.42 H new ATOM 0 HG12 VAL A 37 -7.373 -1.220 0.307 1.00 1.42 H new ATOM 0 HG13 VAL A 37 -7.370 -2.784 1.155 1.00 1.42 H new ATOM 0 HG21 VAL A 37 -4.545 -2.712 2.000 1.00 1.62 H new ATOM 0 HG22 VAL A 37 -5.279 -4.145 1.241 1.00 1.62 H new ATOM 0 HG23 VAL A 37 -3.773 -3.463 0.583 1.00 1.62 H new ATOM 563 N ALA A 38 -6.398 -5.209 -2.068 1.00 0.47 N ATOM 564 CA ALA A 38 -7.182 -6.403 -2.275 1.00 0.55 C ATOM 565 C ALA A 38 -6.931 -7.362 -1.116 1.00 0.53 C ATOM 566 O ALA A 38 -6.099 -8.266 -1.212 1.00 0.53 O ATOM 567 CB ALA A 38 -6.819 -7.027 -3.623 1.00 0.69 C ATOM 0 H ALA A 38 -5.544 -5.181 -2.625 1.00 0.47 H new ATOM 0 HA ALA A 38 -8.246 -6.167 -2.300 1.00 0.55 H new ATOM 0 HB1 ALA A 38 -7.412 -7.929 -3.778 1.00 0.69 H new ATOM 0 HB2 ALA A 38 -7.026 -6.315 -4.421 1.00 0.69 H new ATOM 0 HB3 ALA A 38 -5.760 -7.283 -3.632 1.00 0.69 H new ATOM 573 N LEU A 39 -7.712 -7.188 -0.045 1.00 0.61 N ATOM 574 CA LEU A 39 -7.921 -8.169 1.014 1.00 0.64 C ATOM 575 C LEU A 39 -8.047 -9.576 0.428 1.00 0.67 C ATOM 576 O LEU A 39 -7.408 -10.506 0.912 1.00 0.67 O ATOM 577 CB LEU A 39 -9.168 -7.746 1.801 1.00 0.86 C ATOM 578 CG LEU A 39 -9.618 -8.652 2.957 1.00 0.93 C ATOM 579 CD1 LEU A 39 -10.440 -9.869 2.510 1.00 2.29 C ATOM 580 CD2 LEU A 39 -8.457 -9.089 3.854 1.00 2.03 C ATOM 0 H LEU A 39 -8.234 -6.325 0.110 1.00 0.61 H new ATOM 0 HA LEU A 39 -7.067 -8.201 1.691 1.00 0.64 H new ATOM 0 HB2 LEU A 39 -8.989 -6.749 2.205 1.00 0.86 H new ATOM 0 HB3 LEU A 39 -9.997 -7.661 1.098 1.00 0.86 H new ATOM 0 HG LEU A 39 -10.283 -8.022 3.547 1.00 0.93 H new ATOM 0 HD11 LEU A 39 -10.720 -10.459 3.383 1.00 2.29 H new ATOM 0 HD12 LEU A 39 -11.340 -9.531 1.996 1.00 2.29 H new ATOM 0 HD13 LEU A 39 -9.844 -10.482 1.833 1.00 2.29 H new ATOM 0 HD21 LEU A 39 -8.835 -9.727 4.653 1.00 2.03 H new ATOM 0 HD22 LEU A 39 -7.728 -9.642 3.262 1.00 2.03 H new ATOM 0 HD23 LEU A 39 -7.980 -8.209 4.287 1.00 2.03 H new ATOM 592 N ALA A 40 -8.814 -9.707 -0.662 1.00 0.77 N ATOM 593 CA ALA A 40 -8.964 -10.921 -1.461 1.00 0.88 C ATOM 594 C ALA A 40 -7.664 -11.714 -1.619 1.00 0.81 C ATOM 595 O ALA A 40 -7.685 -12.939 -1.682 1.00 0.98 O ATOM 596 CB ALA A 40 -9.460 -10.527 -2.855 1.00 1.04 C ATOM 0 H ALA A 40 -9.370 -8.932 -1.024 1.00 0.77 H new ATOM 0 HA ALA A 40 -9.671 -11.563 -0.935 1.00 0.88 H new ATOM 0 HB1 ALA A 40 -9.578 -11.422 -3.466 1.00 1.04 H new ATOM 0 HB2 ALA A 40 -10.420 -10.017 -2.769 1.00 1.04 H new ATOM 0 HB3 ALA A 40 -8.736 -9.860 -3.324 1.00 1.04 H new ATOM 602 N THR A 41 -6.542 -11.003 -1.750 1.00 0.68 N ATOM 603 CA THR A 41 -5.227 -11.559 -2.010 1.00 0.71 C ATOM 604 C THR A 41 -4.206 -10.941 -1.049 1.00 0.61 C ATOM 605 O THR A 41 -3.020 -10.897 -1.360 1.00 0.67 O ATOM 606 CB THR A 41 -4.915 -11.395 -3.505 1.00 0.80 C ATOM 607 OG1 THR A 41 -5.426 -10.169 -3.998 1.00 2.15 O ATOM 608 CG2 THR A 41 -5.568 -12.512 -4.322 1.00 2.62 C ATOM 0 H THR A 41 -6.532 -9.986 -1.674 1.00 0.68 H new ATOM 0 HA THR A 41 -5.183 -12.630 -1.810 1.00 0.71 H new ATOM 0 HB THR A 41 -3.830 -11.426 -3.605 1.00 0.80 H new ATOM 0 HG1 THR A 41 -6.270 -10.332 -4.468 1.00 2.15 H new ATOM 0 HG21 THR A 41 -5.334 -12.375 -5.378 1.00 2.62 H new ATOM 0 HG22 THR A 41 -5.188 -13.477 -3.988 1.00 2.62 H new ATOM 0 HG23 THR A 41 -6.649 -12.480 -4.183 1.00 2.62 H new ATOM 616 N ASN A 42 -4.688 -10.491 0.119 1.00 0.57 N ATOM 617 CA ASN A 42 -3.980 -9.783 1.176 1.00 0.56 C ATOM 618 C ASN A 42 -2.825 -8.936 0.643 1.00 0.53 C ATOM 619 O ASN A 42 -1.693 -9.034 1.117 1.00 0.58 O ATOM 620 CB ASN A 42 -3.612 -10.746 2.325 1.00 0.72 C ATOM 621 CG ASN A 42 -4.459 -10.457 3.562 1.00 0.90 C ATOM 622 OD1 ASN A 42 -5.488 -11.088 3.777 1.00 1.99 O ATOM 623 ND2 ASN A 42 -4.050 -9.488 4.373 1.00 1.23 N ATOM 0 H ASN A 42 -5.669 -10.629 0.361 1.00 0.57 H new ATOM 0 HA ASN A 42 -4.653 -9.046 1.614 1.00 0.56 H new ATOM 0 HB2 ASN A 42 -3.765 -11.777 2.006 1.00 0.72 H new ATOM 0 HB3 ASN A 42 -2.555 -10.642 2.569 1.00 0.72 H new ATOM 0 HD21 ASN A 42 -4.597 -9.251 5.201 1.00 1.23 H new ATOM 0 HD22 ASN A 42 -3.189 -8.981 4.168 1.00 1.23 H new ATOM 630 N LYS A 43 -3.114 -8.075 -0.342 1.00 0.52 N ATOM 631 CA LYS A 43 -2.075 -7.257 -0.943 1.00 0.59 C ATOM 632 C LYS A 43 -2.575 -5.880 -1.344 1.00 0.44 C ATOM 633 O LYS A 43 -3.757 -5.704 -1.629 1.00 0.45 O ATOM 634 CB LYS A 43 -1.369 -8.005 -2.084 1.00 0.78 C ATOM 635 CG LYS A 43 -1.826 -7.706 -3.508 1.00 1.05 C ATOM 636 CD LYS A 43 -3.059 -8.510 -3.894 1.00 2.17 C ATOM 637 CE LYS A 43 -3.507 -8.007 -5.270 1.00 1.09 C ATOM 638 NZ LYS A 43 -4.339 -8.959 -6.019 1.00 2.93 N ATOM 0 H LYS A 43 -4.047 -7.934 -0.729 1.00 0.52 H new ATOM 0 HA LYS A 43 -1.321 -7.072 -0.178 1.00 0.59 H new ATOM 0 HB2 LYS A 43 -0.303 -7.788 -2.020 1.00 0.78 H new ATOM 0 HB3 LYS A 43 -1.488 -9.074 -1.910 1.00 0.78 H new ATOM 0 HG2 LYS A 43 -2.043 -6.642 -3.603 1.00 1.05 H new ATOM 0 HG3 LYS A 43 -1.016 -7.929 -4.203 1.00 1.05 H new ATOM 0 HD2 LYS A 43 -2.830 -9.575 -3.928 1.00 2.17 H new ATOM 0 HD3 LYS A 43 -3.852 -8.378 -3.158 1.00 2.17 H new ATOM 0 HE2 LYS A 43 -4.064 -7.079 -5.141 1.00 1.09 H new ATOM 0 HE3 LYS A 43 -2.624 -7.769 -5.863 1.00 1.09 H new ATOM 0 HZ1 LYS A 43 -4.910 -8.445 -6.720 1.00 2.93 H new ATOM 0 HZ2 LYS A 43 -3.728 -9.645 -6.506 1.00 2.93 H new ATOM 0 HZ3 LYS A 43 -4.969 -9.462 -5.362 1.00 2.93 H new ATOM 652 N ALA A 44 -1.640 -4.931 -1.393 1.00 0.37 N ATOM 653 CA ALA A 44 -1.820 -3.581 -1.866 1.00 0.33 C ATOM 654 C ALA A 44 -1.161 -3.428 -3.229 1.00 0.34 C ATOM 655 O ALA A 44 0.064 -3.335 -3.322 1.00 0.38 O ATOM 656 CB ALA A 44 -1.263 -2.583 -0.846 1.00 0.38 C ATOM 0 H ALA A 44 -0.684 -5.107 -1.083 1.00 0.37 H new ATOM 0 HA ALA A 44 -2.883 -3.368 -1.979 1.00 0.33 H new ATOM 0 HB1 ALA A 44 -1.405 -1.567 -1.216 1.00 0.38 H new ATOM 0 HB2 ALA A 44 -1.787 -2.701 0.102 1.00 0.38 H new ATOM 0 HB3 ALA A 44 -0.199 -2.770 -0.698 1.00 0.38 H new ATOM 662 N HIS A 45 -1.996 -3.349 -4.266 1.00 0.38 N ATOM 663 CA HIS A 45 -1.576 -2.943 -5.589 1.00 0.44 C ATOM 664 C HIS A 45 -1.465 -1.429 -5.561 1.00 0.45 C ATOM 665 O HIS A 45 -2.384 -0.708 -5.958 1.00 0.67 O ATOM 666 CB HIS A 45 -2.549 -3.479 -6.648 1.00 0.54 C ATOM 667 CG HIS A 45 -1.944 -3.515 -8.022 1.00 0.85 C ATOM 668 ND1 HIS A 45 -1.677 -4.623 -8.791 1.00 1.12 N ATOM 669 CD2 HIS A 45 -1.360 -2.450 -8.631 1.00 1.10 C ATOM 670 CE1 HIS A 45 -0.996 -4.207 -9.874 1.00 1.39 C ATOM 671 NE2 HIS A 45 -0.780 -2.882 -9.825 1.00 1.42 N ATOM 0 H HIS A 45 -2.990 -3.569 -4.201 1.00 0.38 H new ATOM 0 HA HIS A 45 -0.608 -3.361 -5.866 1.00 0.44 H new ATOM 0 HB2 HIS A 45 -2.867 -4.483 -6.369 1.00 0.54 H new ATOM 0 HB3 HIS A 45 -3.442 -2.855 -6.665 1.00 0.54 H new ATOM 0 HD1 HIS A 45 -1.946 -5.584 -8.579 1.00 1.12 H new ATOM 0 HD2 HIS A 45 -1.347 -1.438 -8.254 1.00 1.10 H new ATOM 0 HE1 HIS A 45 -0.667 -4.852 -10.675 1.00 1.39 H new ATOM 679 N ILE A 46 -0.325 -0.944 -5.078 1.00 0.54 N ATOM 680 CA ILE A 46 -0.039 0.468 -5.121 1.00 0.52 C ATOM 681 C ILE A 46 0.417 0.798 -6.526 1.00 0.58 C ATOM 682 O ILE A 46 1.077 -0.001 -7.193 1.00 0.96 O ATOM 683 CB ILE A 46 0.983 0.863 -4.048 1.00 0.56 C ATOM 684 CG1 ILE A 46 0.361 0.690 -2.659 1.00 0.77 C ATOM 685 CG2 ILE A 46 1.494 2.302 -4.205 1.00 0.72 C ATOM 686 CD1 ILE A 46 1.445 0.224 -1.700 1.00 1.37 C ATOM 0 H ILE A 46 0.408 -1.514 -4.655 1.00 0.54 H new ATOM 0 HA ILE A 46 -0.930 1.052 -4.891 1.00 0.52 H new ATOM 0 HB ILE A 46 1.843 0.204 -4.170 1.00 0.56 H new ATOM 0 HG12 ILE A 46 -0.069 1.631 -2.316 1.00 0.77 H new ATOM 0 HG13 ILE A 46 -0.451 -0.037 -2.695 1.00 0.77 H new ATOM 0 HG21 ILE A 46 2.214 2.521 -3.416 1.00 0.72 H new ATOM 0 HG22 ILE A 46 1.976 2.413 -5.177 1.00 0.72 H new ATOM 0 HG23 ILE A 46 0.656 2.995 -4.134 1.00 0.72 H new ATOM 0 HD11 ILE A 46 1.020 0.095 -0.705 1.00 1.37 H new ATOM 0 HD12 ILE A 46 1.853 -0.726 -2.046 1.00 1.37 H new ATOM 0 HD13 ILE A 46 2.241 0.968 -1.661 1.00 1.37 H new ATOM 698 N LYS A 47 0.051 1.995 -6.963 1.00 0.53 N ATOM 699 CA LYS A 47 0.684 2.646 -8.079 1.00 0.58 C ATOM 700 C LYS A 47 1.093 4.012 -7.536 1.00 0.51 C ATOM 701 O LYS A 47 0.314 4.614 -6.797 1.00 0.76 O ATOM 702 CB LYS A 47 -0.284 2.733 -9.255 1.00 0.68 C ATOM 703 CG LYS A 47 -0.725 1.343 -9.738 1.00 0.80 C ATOM 704 CD LYS A 47 -1.283 1.401 -11.166 1.00 0.94 C ATOM 705 CE LYS A 47 -2.538 2.280 -11.289 1.00 1.96 C ATOM 706 NZ LYS A 47 -2.833 2.612 -12.697 1.00 2.73 N ATOM 0 H LYS A 47 -0.702 2.539 -6.542 1.00 0.53 H new ATOM 0 HA LYS A 47 1.550 2.109 -8.466 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -1.161 3.310 -8.962 1.00 0.68 H new ATOM 0 HB3 LYS A 47 0.190 3.269 -10.077 1.00 0.68 H new ATOM 0 HG2 LYS A 47 0.122 0.658 -9.704 1.00 0.80 H new ATOM 0 HG3 LYS A 47 -1.484 0.945 -9.064 1.00 0.80 H new ATOM 0 HD2 LYS A 47 -0.512 1.783 -11.835 1.00 0.94 H new ATOM 0 HD3 LYS A 47 -1.521 0.390 -11.498 1.00 0.94 H new ATOM 0 HE2 LYS A 47 -3.391 1.761 -10.851 1.00 1.96 H new ATOM 0 HE3 LYS A 47 -2.397 3.199 -10.720 1.00 1.96 H new ATOM 0 HZ1 LYS A 47 -3.686 3.206 -12.742 1.00 2.73 H new ATOM 0 HZ2 LYS A 47 -2.029 3.129 -13.108 1.00 2.73 H new ATOM 0 HZ3 LYS A 47 -2.992 1.736 -13.234 1.00 2.73 H new ATOM 720 N TYR A 48 2.310 4.470 -7.808 1.00 0.52 N ATOM 721 CA TYR A 48 2.893 5.628 -7.143 1.00 0.50 C ATOM 722 C TYR A 48 3.929 6.276 -8.050 1.00 0.60 C ATOM 723 O TYR A 48 4.271 5.725 -9.101 1.00 0.94 O ATOM 724 CB TYR A 48 3.490 5.215 -5.784 1.00 0.58 C ATOM 725 CG TYR A 48 4.769 4.394 -5.846 1.00 0.66 C ATOM 726 CD1 TYR A 48 4.776 3.125 -6.450 1.00 1.67 C ATOM 727 CD2 TYR A 48 5.971 4.911 -5.331 1.00 1.67 C ATOM 728 CE1 TYR A 48 5.997 2.489 -6.732 1.00 1.85 C ATOM 729 CE2 TYR A 48 7.163 4.179 -5.441 1.00 1.72 C ATOM 730 CZ TYR A 48 7.185 2.987 -6.181 1.00 1.10 C ATOM 731 OH TYR A 48 8.351 2.300 -6.353 1.00 1.33 O ATOM 0 H TYR A 48 2.924 4.044 -8.502 1.00 0.52 H new ATOM 0 HA TYR A 48 2.117 6.368 -6.945 1.00 0.50 H new ATOM 0 HB2 TYR A 48 3.687 6.118 -5.206 1.00 0.58 H new ATOM 0 HB3 TYR A 48 2.740 4.644 -5.237 1.00 0.58 H new ATOM 0 HD1 TYR A 48 3.844 2.639 -6.697 1.00 1.67 H new ATOM 0 HD2 TYR A 48 5.977 5.877 -4.848 1.00 1.67 H new ATOM 0 HE1 TYR A 48 6.020 1.619 -7.372 1.00 1.85 H new ATOM 0 HE2 TYR A 48 8.062 4.532 -4.957 1.00 1.72 H new ATOM 0 HH TYR A 48 9.082 2.780 -5.910 1.00 1.33 H new ATOM 741 N ASP A 49 4.418 7.439 -7.619 1.00 0.74 N ATOM 742 CA ASP A 49 5.395 8.248 -8.322 1.00 1.07 C ATOM 743 C ASP A 49 6.730 8.138 -7.570 1.00 0.77 C ATOM 744 O ASP A 49 7.034 8.999 -6.734 1.00 0.88 O ATOM 745 CB ASP A 49 4.866 9.687 -8.373 1.00 1.76 C ATOM 746 CG ASP A 49 3.522 9.796 -9.081 1.00 2.94 C ATOM 747 OD1 ASP A 49 3.504 9.559 -10.307 1.00 3.09 O ATOM 748 OD2 ASP A 49 2.537 10.112 -8.378 1.00 4.48 O ATOM 0 H ASP A 49 4.128 7.854 -6.734 1.00 0.74 H new ATOM 0 HA ASP A 49 5.558 7.912 -9.346 1.00 1.07 H new ATOM 0 HB2 ASP A 49 4.769 10.070 -7.357 1.00 1.76 H new ATOM 0 HB3 ASP A 49 5.593 10.319 -8.883 1.00 1.76 H new ATOM 753 N PRO A 50 7.524 7.070 -7.786 1.00 0.80 N ATOM 754 CA PRO A 50 8.781 6.851 -7.080 1.00 0.75 C ATOM 755 C PRO A 50 9.696 8.069 -7.115 1.00 0.86 C ATOM 756 O PRO A 50 10.376 8.346 -6.129 1.00 1.67 O ATOM 757 CB PRO A 50 9.447 5.625 -7.717 1.00 0.95 C ATOM 758 CG PRO A 50 8.672 5.395 -9.014 1.00 1.34 C ATOM 759 CD PRO A 50 7.294 5.985 -8.726 1.00 1.25 C ATOM 0 HA PRO A 50 8.583 6.679 -6.022 1.00 0.75 H new ATOM 0 HB2 PRO A 50 10.504 5.805 -7.913 1.00 0.95 H new ATOM 0 HB3 PRO A 50 9.388 4.756 -7.061 1.00 0.95 H new ATOM 0 HG2 PRO A 50 9.150 5.891 -9.859 1.00 1.34 H new ATOM 0 HG3 PRO A 50 8.610 4.335 -9.260 1.00 1.34 H new ATOM 0 HD2 PRO A 50 6.825 6.350 -9.640 1.00 1.25 H new ATOM 0 HD3 PRO A 50 6.626 5.234 -8.303 1.00 1.25 H new ATOM 767 N GLU A 51 9.690 8.807 -8.227 1.00 1.09 N ATOM 768 CA GLU A 51 10.443 10.039 -8.385 1.00 1.32 C ATOM 769 C GLU A 51 10.177 11.084 -7.287 1.00 1.29 C ATOM 770 O GLU A 51 11.010 11.972 -7.117 1.00 1.81 O ATOM 771 CB GLU A 51 10.217 10.618 -9.792 1.00 1.47 C ATOM 772 CG GLU A 51 8.747 10.650 -10.244 1.00 1.68 C ATOM 773 CD GLU A 51 8.372 9.442 -11.089 1.00 3.19 C ATOM 774 OE1 GLU A 51 8.301 8.333 -10.522 1.00 4.35 O ATOM 775 OE2 GLU A 51 8.189 9.604 -12.315 1.00 4.00 O ATOM 0 H GLU A 51 9.150 8.555 -9.054 1.00 1.09 H new ATOM 0 HA GLU A 51 11.495 9.779 -8.269 1.00 1.32 H new ATOM 0 HB2 GLU A 51 10.614 11.633 -9.821 1.00 1.47 H new ATOM 0 HB3 GLU A 51 10.791 10.030 -10.509 1.00 1.47 H new ATOM 0 HG2 GLU A 51 8.101 10.691 -9.367 1.00 1.68 H new ATOM 0 HG3 GLU A 51 8.566 11.560 -10.816 1.00 1.68 H new ATOM 782 N ILE A 52 9.053 11.008 -6.557 1.00 1.08 N ATOM 783 CA ILE A 52 8.737 11.945 -5.484 1.00 1.41 C ATOM 784 C ILE A 52 8.569 11.235 -4.148 1.00 1.42 C ATOM 785 O ILE A 52 9.223 11.589 -3.171 1.00 2.34 O ATOM 786 CB ILE A 52 7.511 12.815 -5.835 1.00 1.54 C ATOM 787 CG1 ILE A 52 6.279 12.052 -6.349 1.00 1.81 C ATOM 788 CG2 ILE A 52 7.952 13.796 -6.920 1.00 2.18 C ATOM 789 CD1 ILE A 52 5.102 12.972 -6.692 1.00 2.45 C ATOM 0 H ILE A 52 8.341 10.292 -6.700 1.00 1.08 H new ATOM 0 HA ILE A 52 9.587 12.619 -5.379 1.00 1.41 H new ATOM 0 HB ILE A 52 7.191 13.289 -4.907 1.00 1.54 H new ATOM 0 HG12 ILE A 52 6.556 11.481 -7.235 1.00 1.81 H new ATOM 0 HG13 ILE A 52 5.962 11.333 -5.593 1.00 1.81 H new ATOM 0 HG21 ILE A 52 7.112 14.432 -7.198 1.00 2.18 H new ATOM 0 HG22 ILE A 52 8.766 14.414 -6.542 1.00 2.18 H new ATOM 0 HG23 ILE A 52 8.293 13.242 -7.795 1.00 2.18 H new ATOM 0 HD11 ILE A 52 4.264 12.373 -7.049 1.00 2.45 H new ATOM 0 HD12 ILE A 52 4.800 13.524 -5.802 1.00 2.45 H new ATOM 0 HD13 ILE A 52 5.403 13.674 -7.470 1.00 2.45 H new ATOM 801 N ILE A 53 7.649 10.277 -4.080 1.00 0.68 N ATOM 802 CA ILE A 53 7.137 9.815 -2.797 1.00 0.65 C ATOM 803 C ILE A 53 8.030 8.696 -2.248 1.00 0.96 C ATOM 804 O ILE A 53 8.291 8.629 -1.050 1.00 2.64 O ATOM 805 CB ILE A 53 5.652 9.446 -2.973 1.00 0.73 C ATOM 806 CG1 ILE A 53 4.823 9.492 -1.690 1.00 1.16 C ATOM 807 CG2 ILE A 53 5.490 8.131 -3.720 1.00 0.93 C ATOM 808 CD1 ILE A 53 4.375 10.923 -1.383 1.00 2.29 C ATOM 0 H ILE A 53 7.246 9.810 -4.892 1.00 0.68 H new ATOM 0 HA ILE A 53 7.173 10.594 -2.036 1.00 0.65 H new ATOM 0 HB ILE A 53 5.231 10.240 -3.590 1.00 0.73 H new ATOM 0 HG12 ILE A 53 3.950 8.847 -1.792 1.00 1.16 H new ATOM 0 HG13 ILE A 53 5.410 9.104 -0.858 1.00 1.16 H new ATOM 0 HG21 ILE A 53 4.430 7.901 -3.826 1.00 0.93 H new ATOM 0 HG22 ILE A 53 5.944 8.215 -4.707 1.00 0.93 H new ATOM 0 HG23 ILE A 53 5.980 7.333 -3.162 1.00 0.93 H new ATOM 0 HD11 ILE A 53 3.787 10.931 -0.466 1.00 2.29 H new ATOM 0 HD12 ILE A 53 5.251 11.560 -1.258 1.00 2.29 H new ATOM 0 HD13 ILE A 53 3.768 11.299 -2.207 1.00 2.29 H new ATOM 820 N GLY A 54 8.537 7.838 -3.140 1.00 1.00 N ATOM 821 CA GLY A 54 9.354 6.690 -2.779 1.00 0.78 C ATOM 822 C GLY A 54 8.499 5.546 -2.216 1.00 0.72 C ATOM 823 O GLY A 54 7.454 5.783 -1.613 1.00 0.85 O ATOM 0 H GLY A 54 8.385 7.929 -4.145 1.00 1.00 H new ATOM 0 HA2 GLY A 54 9.900 6.340 -3.655 1.00 0.78 H new ATOM 0 HA3 GLY A 54 10.097 6.989 -2.039 1.00 0.78 H new ATOM 827 N PRO A 55 8.916 4.284 -2.401 1.00 0.62 N ATOM 828 CA PRO A 55 8.147 3.136 -1.940 1.00 0.68 C ATOM 829 C PRO A 55 8.181 3.052 -0.411 1.00 0.68 C ATOM 830 O PRO A 55 7.175 2.752 0.234 1.00 0.67 O ATOM 831 CB PRO A 55 8.816 1.925 -2.598 1.00 0.77 C ATOM 832 CG PRO A 55 10.270 2.361 -2.793 1.00 0.66 C ATOM 833 CD PRO A 55 10.161 3.870 -3.031 1.00 0.56 C ATOM 0 HA PRO A 55 7.093 3.197 -2.210 1.00 0.68 H new ATOM 0 HB2 PRO A 55 8.747 1.039 -1.966 1.00 0.77 H new ATOM 0 HB3 PRO A 55 8.344 1.676 -3.548 1.00 0.77 H new ATOM 0 HG2 PRO A 55 10.878 2.136 -1.917 1.00 0.66 H new ATOM 0 HG3 PRO A 55 10.731 1.853 -3.640 1.00 0.66 H new ATOM 0 HD2 PRO A 55 11.012 4.396 -2.598 1.00 0.56 H new ATOM 0 HD3 PRO A 55 10.154 4.098 -4.097 1.00 0.56 H new ATOM 841 N ARG A 56 9.362 3.312 0.164 1.00 0.74 N ATOM 842 CA ARG A 56 9.611 3.204 1.590 1.00 0.81 C ATOM 843 C ARG A 56 8.610 4.040 2.390 1.00 0.70 C ATOM 844 O ARG A 56 8.186 3.619 3.461 1.00 0.67 O ATOM 845 CB ARG A 56 11.062 3.595 1.905 1.00 1.06 C ATOM 846 CG ARG A 56 11.421 3.183 3.338 1.00 2.00 C ATOM 847 CD ARG A 56 12.802 3.700 3.762 1.00 2.90 C ATOM 848 NE ARG A 56 13.894 3.015 3.052 1.00 3.86 N ATOM 849 CZ ARG A 56 14.375 1.801 3.367 1.00 5.09 C ATOM 850 NH1 ARG A 56 13.820 1.100 4.364 1.00 5.60 N ATOM 851 NH2 ARG A 56 15.407 1.292 2.684 1.00 6.47 N ATOM 0 H ARG A 56 10.181 3.608 -0.367 1.00 0.74 H new ATOM 0 HA ARG A 56 9.470 2.166 1.892 1.00 0.81 H new ATOM 0 HB2 ARG A 56 11.738 3.112 1.200 1.00 1.06 H new ATOM 0 HB3 ARG A 56 11.191 4.671 1.785 1.00 1.06 H new ATOM 0 HG2 ARG A 56 10.665 3.566 4.024 1.00 2.00 H new ATOM 0 HG3 ARG A 56 11.402 2.096 3.417 1.00 2.00 H new ATOM 0 HD2 ARG A 56 12.862 4.771 3.570 1.00 2.90 H new ATOM 0 HD3 ARG A 56 12.926 3.561 4.836 1.00 2.90 H new ATOM 0 HE ARG A 56 14.318 3.499 2.260 1.00 3.86 H new ATOM 0 HH11 ARG A 56 13.033 1.488 4.884 1.00 5.60 H new ATOM 0 HH12 ARG A 56 14.185 0.178 4.604 1.00 5.60 H new ATOM 0 HH21 ARG A 56 15.829 1.826 1.924 1.00 6.47 H new ATOM 0 HH22 ARG A 56 15.772 0.370 2.923 1.00 6.47 H new ATOM 865 N ASP A 57 8.241 5.218 1.883 1.00 0.71 N ATOM 866 CA ASP A 57 7.282 6.093 2.540 1.00 0.68 C ATOM 867 C ASP A 57 5.933 5.388 2.716 1.00 0.59 C ATOM 868 O ASP A 57 5.464 5.210 3.842 1.00 0.53 O ATOM 869 CB ASP A 57 7.151 7.378 1.724 1.00 0.73 C ATOM 870 CG ASP A 57 6.077 8.279 2.302 1.00 2.48 C ATOM 871 OD1 ASP A 57 6.102 8.483 3.533 1.00 3.53 O ATOM 872 OD2 ASP A 57 5.227 8.722 1.503 1.00 3.68 O ATOM 0 H ASP A 57 8.602 5.588 1.004 1.00 0.71 H new ATOM 0 HA ASP A 57 7.635 6.346 3.540 1.00 0.68 H new ATOM 0 HB2 ASP A 57 8.105 7.905 1.712 1.00 0.73 H new ATOM 0 HB3 ASP A 57 6.909 7.134 0.690 1.00 0.73 H new ATOM 877 N ILE A 58 5.332 4.935 1.609 1.00 0.62 N ATOM 878 CA ILE A 58 4.077 4.187 1.674 1.00 0.58 C ATOM 879 C ILE A 58 4.230 2.982 2.620 1.00 0.54 C ATOM 880 O ILE A 58 3.371 2.721 3.465 1.00 0.50 O ATOM 881 CB ILE A 58 3.572 3.789 0.267 1.00 0.71 C ATOM 882 CG1 ILE A 58 3.078 4.991 -0.560 1.00 0.77 C ATOM 883 CG2 ILE A 58 2.416 2.782 0.383 1.00 0.82 C ATOM 884 CD1 ILE A 58 4.187 5.818 -1.209 1.00 1.31 C ATOM 0 H ILE A 58 5.694 5.073 0.665 1.00 0.62 H new ATOM 0 HA ILE A 58 3.304 4.834 2.090 1.00 0.58 H new ATOM 0 HB ILE A 58 4.427 3.350 -0.247 1.00 0.71 H new ATOM 0 HG12 ILE A 58 2.410 4.628 -1.341 1.00 0.77 H new ATOM 0 HG13 ILE A 58 2.489 5.642 0.086 1.00 0.77 H new ATOM 0 HG21 ILE A 58 2.069 2.510 -0.614 1.00 0.82 H new ATOM 0 HG22 ILE A 58 2.762 1.889 0.903 1.00 0.82 H new ATOM 0 HG23 ILE A 58 1.596 3.232 0.942 1.00 0.82 H new ATOM 0 HD11 ILE A 58 3.746 6.642 -1.770 1.00 1.31 H new ATOM 0 HD12 ILE A 58 4.844 6.216 -0.436 1.00 1.31 H new ATOM 0 HD13 ILE A 58 4.764 5.187 -1.885 1.00 1.31 H new ATOM 896 N ILE A 59 5.336 2.242 2.493 1.00 0.57 N ATOM 897 CA ILE A 59 5.598 1.091 3.354 1.00 0.59 C ATOM 898 C ILE A 59 5.576 1.486 4.834 1.00 0.56 C ATOM 899 O ILE A 59 4.865 0.847 5.610 1.00 0.50 O ATOM 900 CB ILE A 59 6.909 0.409 2.937 1.00 0.71 C ATOM 901 CG1 ILE A 59 6.669 -0.308 1.599 1.00 0.84 C ATOM 902 CG2 ILE A 59 7.406 -0.590 3.993 1.00 0.83 C ATOM 903 CD1 ILE A 59 7.973 -0.555 0.848 1.00 1.29 C ATOM 0 H ILE A 59 6.063 2.422 1.801 1.00 0.57 H new ATOM 0 HA ILE A 59 4.798 0.362 3.226 1.00 0.59 H new ATOM 0 HB ILE A 59 7.684 1.169 2.837 1.00 0.71 H new ATOM 0 HG12 ILE A 59 6.168 -1.259 1.781 1.00 0.84 H new ATOM 0 HG13 ILE A 59 6.001 0.291 0.980 1.00 0.84 H new ATOM 0 HG21 ILE A 59 8.336 -1.047 3.653 1.00 0.83 H new ATOM 0 HG22 ILE A 59 7.581 -0.068 4.934 1.00 0.83 H new ATOM 0 HG23 ILE A 59 6.655 -1.365 4.143 1.00 0.83 H new ATOM 0 HD11 ILE A 59 7.761 -1.064 -0.092 1.00 1.29 H new ATOM 0 HD12 ILE A 59 8.461 0.398 0.643 1.00 1.29 H new ATOM 0 HD13 ILE A 59 8.631 -1.176 1.456 1.00 1.29 H new ATOM 915 N HIS A 60 6.332 2.526 5.215 1.00 0.62 N ATOM 916 CA HIS A 60 6.369 3.037 6.580 1.00 0.63 C ATOM 917 C HIS A 60 4.948 3.241 7.078 1.00 0.51 C ATOM 918 O HIS A 60 4.607 2.841 8.187 1.00 0.50 O ATOM 919 CB HIS A 60 7.100 4.383 6.684 1.00 0.79 C ATOM 920 CG HIS A 60 8.588 4.358 6.467 1.00 1.33 C ATOM 921 ND1 HIS A 60 9.322 5.406 5.961 1.00 2.17 N ATOM 922 CD2 HIS A 60 9.468 3.443 6.979 1.00 1.54 C ATOM 923 CE1 HIS A 60 10.620 5.119 6.153 1.00 2.85 C ATOM 924 NE2 HIS A 60 10.764 3.922 6.748 1.00 2.48 N ATOM 0 H HIS A 60 6.938 3.036 4.573 1.00 0.62 H new ATOM 0 HA HIS A 60 6.907 2.303 7.181 1.00 0.63 H new ATOM 0 HB2 HIS A 60 6.661 5.067 5.957 1.00 0.79 H new ATOM 0 HB3 HIS A 60 6.906 4.801 7.672 1.00 0.79 H new ATOM 0 HD2 HIS A 60 9.210 2.518 7.473 1.00 1.54 H new ATOM 0 HE1 HIS A 60 11.438 5.763 5.868 1.00 2.85 H new ATOM 0 HE2 HIS A 60 11.640 3.456 6.984 1.00 2.48 H new ATOM 932 N THR A 61 4.109 3.875 6.260 1.00 0.49 N ATOM 933 CA THR A 61 2.750 4.142 6.691 1.00 0.49 C ATOM 934 C THR A 61 2.032 2.823 6.973 1.00 0.40 C ATOM 935 O THR A 61 1.437 2.671 8.032 1.00 0.42 O ATOM 936 CB THR A 61 1.991 5.007 5.679 1.00 0.65 C ATOM 937 OG1 THR A 61 2.834 5.428 4.628 1.00 1.21 O ATOM 938 CG2 THR A 61 1.358 6.227 6.357 1.00 1.07 C ATOM 0 H THR A 61 4.342 4.203 5.323 1.00 0.49 H new ATOM 0 HA THR A 61 2.784 4.719 7.615 1.00 0.49 H new ATOM 0 HB THR A 61 1.197 4.388 5.261 1.00 0.65 H new ATOM 0 HG1 THR A 61 3.574 5.956 4.994 1.00 1.21 H new ATOM 0 HG21 THR A 61 0.827 6.821 5.614 1.00 1.07 H new ATOM 0 HG22 THR A 61 0.658 5.895 7.124 1.00 1.07 H new ATOM 0 HG23 THR A 61 2.138 6.834 6.816 1.00 1.07 H new ATOM 946 N ILE A 62 2.092 1.867 6.043 1.00 0.36 N ATOM 947 CA ILE A 62 1.410 0.584 6.190 1.00 0.38 C ATOM 948 C ILE A 62 1.849 -0.147 7.474 1.00 0.39 C ATOM 949 O ILE A 62 0.993 -0.572 8.261 1.00 0.45 O ATOM 950 CB ILE A 62 1.558 -0.235 4.890 1.00 0.41 C ATOM 951 CG1 ILE A 62 0.778 0.487 3.773 1.00 0.56 C ATOM 952 CG2 ILE A 62 1.025 -1.665 5.053 1.00 0.46 C ATOM 953 CD1 ILE A 62 0.939 -0.156 2.395 1.00 0.73 C ATOM 0 H ILE A 62 2.613 1.962 5.171 1.00 0.36 H new ATOM 0 HA ILE A 62 0.341 0.743 6.329 1.00 0.38 H new ATOM 0 HB ILE A 62 2.616 -0.310 4.640 1.00 0.41 H new ATOM 0 HG12 ILE A 62 -0.280 0.505 4.034 1.00 0.56 H new ATOM 0 HG13 ILE A 62 1.111 1.524 3.721 1.00 0.56 H new ATOM 0 HG21 ILE A 62 1.148 -2.208 4.116 1.00 0.46 H new ATOM 0 HG22 ILE A 62 1.580 -2.173 5.842 1.00 0.46 H new ATOM 0 HG23 ILE A 62 -0.032 -1.631 5.317 1.00 0.46 H new ATOM 0 HD11 ILE A 62 0.362 0.407 1.661 1.00 0.73 H new ATOM 0 HD12 ILE A 62 1.991 -0.150 2.111 1.00 0.73 H new ATOM 0 HD13 ILE A 62 0.579 -1.184 2.429 1.00 0.73 H new ATOM 965 N GLU A 63 3.159 -0.285 7.708 1.00 0.45 N ATOM 966 CA GLU A 63 3.628 -0.934 8.932 1.00 0.59 C ATOM 967 C GLU A 63 3.222 -0.131 10.170 1.00 0.59 C ATOM 968 O GLU A 63 2.646 -0.687 11.104 1.00 0.66 O ATOM 969 CB GLU A 63 5.113 -1.329 8.853 1.00 0.78 C ATOM 970 CG GLU A 63 6.123 -0.192 8.630 1.00 1.70 C ATOM 971 CD GLU A 63 6.494 0.598 9.883 1.00 3.03 C ATOM 972 OE1 GLU A 63 6.195 0.102 10.990 1.00 4.13 O ATOM 973 OE2 GLU A 63 7.090 1.681 9.706 1.00 3.82 O ATOM 0 H GLU A 63 3.896 0.036 7.081 1.00 0.45 H new ATOM 0 HA GLU A 63 3.118 -1.891 9.039 1.00 0.59 H new ATOM 0 HB2 GLU A 63 5.378 -1.842 9.778 1.00 0.78 H new ATOM 0 HB3 GLU A 63 5.230 -2.050 8.044 1.00 0.78 H new ATOM 0 HG2 GLU A 63 7.033 -0.613 8.202 1.00 1.70 H new ATOM 0 HG3 GLU A 63 5.713 0.498 7.892 1.00 1.70 H new ATOM 980 N SER A 64 3.437 1.185 10.134 1.00 0.55 N ATOM 981 CA SER A 64 3.123 2.081 11.235 1.00 0.60 C ATOM 982 C SER A 64 1.637 1.997 11.614 1.00 0.61 C ATOM 983 O SER A 64 1.309 1.906 12.796 1.00 0.88 O ATOM 984 CB SER A 64 3.598 3.494 10.871 1.00 0.60 C ATOM 985 OG SER A 64 3.299 4.430 11.890 1.00 0.70 O ATOM 0 H SER A 64 3.840 1.659 9.326 1.00 0.55 H new ATOM 0 HA SER A 64 3.656 1.780 12.137 1.00 0.60 H new ATOM 0 HB2 SER A 64 4.673 3.481 10.694 1.00 0.60 H new ATOM 0 HB3 SER A 64 3.125 3.807 9.940 1.00 0.60 H new ATOM 0 HG SER A 64 3.618 5.317 11.623 1.00 0.70 H new ATOM 991 N LEU A 65 0.723 1.993 10.634 1.00 0.52 N ATOM 992 CA LEU A 65 -0.690 1.780 10.894 1.00 0.50 C ATOM 993 C LEU A 65 -0.920 0.421 11.551 1.00 0.49 C ATOM 994 O LEU A 65 -1.611 0.348 12.567 1.00 0.81 O ATOM 995 CB LEU A 65 -1.476 1.865 9.582 1.00 0.60 C ATOM 996 CG LEU A 65 -1.481 3.286 9.001 1.00 0.79 C ATOM 997 CD1 LEU A 65 -1.676 3.198 7.490 1.00 1.60 C ATOM 998 CD2 LEU A 65 -2.576 4.148 9.636 1.00 1.43 C ATOM 0 H LEU A 65 0.949 2.137 9.650 1.00 0.52 H new ATOM 0 HA LEU A 65 -1.038 2.555 11.576 1.00 0.50 H new ATOM 0 HB2 LEU A 65 -1.042 1.178 8.855 1.00 0.60 H new ATOM 0 HB3 LEU A 65 -2.502 1.541 9.753 1.00 0.60 H new ATOM 0 HG LEU A 65 -0.527 3.764 9.225 1.00 0.79 H new ATOM 0 HD11 LEU A 65 -1.681 4.202 7.065 1.00 1.60 H new ATOM 0 HD12 LEU A 65 -0.861 2.622 7.051 1.00 1.60 H new ATOM 0 HD13 LEU A 65 -2.625 2.707 7.274 1.00 1.60 H new ATOM 0 HD21 LEU A 65 -2.550 5.147 9.201 1.00 1.43 H new ATOM 0 HD22 LEU A 65 -3.550 3.696 9.449 1.00 1.43 H new ATOM 0 HD23 LEU A 65 -2.408 4.216 10.711 1.00 1.43 H new ATOM 1010 N GLY A 66 -0.435 -0.659 10.930 1.00 0.63 N ATOM 1011 CA GLY A 66 -0.657 -1.989 11.483 1.00 0.66 C ATOM 1012 C GLY A 66 0.304 -3.076 11.009 1.00 0.88 C ATOM 1013 O GLY A 66 0.622 -3.988 11.769 1.00 1.52 O ATOM 0 H GLY A 66 0.102 -0.636 10.063 1.00 0.63 H new ATOM 0 HA2 GLY A 66 -0.595 -1.925 12.569 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.673 -2.298 11.239 1.00 0.66 H new ATOM 1017 N PHE A 67 0.615 -3.090 9.712 1.00 0.62 N ATOM 1018 CA PHE A 67 0.551 -4.332 8.950 1.00 0.49 C ATOM 1019 C PHE A 67 1.913 -4.679 8.345 1.00 0.82 C ATOM 1020 O PHE A 67 2.520 -3.803 7.730 1.00 1.63 O ATOM 1021 CB PHE A 67 -0.470 -4.103 7.830 1.00 0.51 C ATOM 1022 CG PHE A 67 -1.738 -3.376 8.235 1.00 0.45 C ATOM 1023 CD1 PHE A 67 -2.721 -4.039 8.988 1.00 1.81 C ATOM 1024 CD2 PHE A 67 -1.939 -2.035 7.855 1.00 1.81 C ATOM 1025 CE1 PHE A 67 -3.963 -3.420 9.214 1.00 1.75 C ATOM 1026 CE2 PHE A 67 -3.167 -1.407 8.110 1.00 1.87 C ATOM 1027 CZ PHE A 67 -4.214 -2.135 8.699 1.00 0.47 C ATOM 0 H PHE A 67 0.908 -2.272 9.178 1.00 0.62 H new ATOM 0 HA PHE A 67 0.264 -5.161 9.597 1.00 0.49 H new ATOM 0 HB2 PHE A 67 0.013 -3.537 7.033 1.00 0.51 H new ATOM 0 HB3 PHE A 67 -0.746 -5.071 7.411 1.00 0.51 H new ATOM 0 HD1 PHE A 67 -2.523 -5.021 9.392 1.00 1.81 H new ATOM 0 HD2 PHE A 67 -1.146 -1.489 7.366 1.00 1.81 H new ATOM 0 HE1 PHE A 67 -4.725 -3.931 9.783 1.00 1.75 H new ATOM 0 HE2 PHE A 67 -3.307 -0.367 7.854 1.00 1.87 H new ATOM 0 HZ PHE A 67 -5.206 -1.711 8.756 1.00 0.47 H new ATOM 1037 N GLU A 68 2.397 -5.927 8.424 1.00 0.46 N ATOM 1038 CA GLU A 68 3.739 -6.190 7.914 1.00 0.46 C ATOM 1039 C GLU A 68 3.683 -6.236 6.382 1.00 0.52 C ATOM 1040 O GLU A 68 3.198 -7.195 5.777 1.00 1.18 O ATOM 1041 CB GLU A 68 4.400 -7.451 8.501 1.00 0.65 C ATOM 1042 CG GLU A 68 3.912 -7.881 9.891 1.00 1.89 C ATOM 1043 CD GLU A 68 2.689 -8.772 9.774 1.00 3.20 C ATOM 1044 OE1 GLU A 68 2.893 -9.996 9.597 1.00 3.54 O ATOM 1045 OE2 GLU A 68 1.579 -8.203 9.767 1.00 4.60 O ATOM 0 H GLU A 68 1.905 -6.730 8.816 1.00 0.46 H new ATOM 0 HA GLU A 68 4.382 -5.373 8.242 1.00 0.46 H new ATOM 0 HB2 GLU A 68 4.238 -8.278 7.809 1.00 0.65 H new ATOM 0 HB3 GLU A 68 5.476 -7.283 8.551 1.00 0.65 H new ATOM 0 HG2 GLU A 68 4.707 -8.412 10.414 1.00 1.89 H new ATOM 0 HG3 GLU A 68 3.672 -7.000 10.487 1.00 1.89 H new ATOM 1052 N ALA A 69 4.162 -5.163 5.757 1.00 0.66 N ATOM 1053 CA ALA A 69 4.193 -5.013 4.315 1.00 0.70 C ATOM 1054 C ALA A 69 5.368 -5.796 3.724 1.00 0.67 C ATOM 1055 O ALA A 69 6.371 -6.033 4.397 1.00 1.00 O ATOM 1056 CB ALA A 69 4.332 -3.526 3.984 1.00 0.91 C ATOM 0 H ALA A 69 4.546 -4.360 6.255 1.00 0.66 H new ATOM 0 HA ALA A 69 3.272 -5.406 3.884 1.00 0.70 H new ATOM 0 HB1 ALA A 69 4.357 -3.395 2.902 1.00 0.91 H new ATOM 0 HB2 ALA A 69 3.483 -2.981 4.396 1.00 0.91 H new ATOM 0 HB3 ALA A 69 5.255 -3.142 4.417 1.00 0.91 H new ATOM 1062 N SER A 70 5.264 -6.205 2.458 1.00 0.58 N ATOM 1063 CA SER A 70 6.334 -6.878 1.734 1.00 0.62 C ATOM 1064 C SER A 70 6.185 -6.609 0.235 1.00 0.56 C ATOM 1065 O SER A 70 5.322 -7.197 -0.412 1.00 0.52 O ATOM 1066 CB SER A 70 6.290 -8.381 2.037 1.00 0.79 C ATOM 1067 OG SER A 70 6.654 -8.632 3.382 1.00 1.71 O ATOM 0 H SER A 70 4.419 -6.074 1.902 1.00 0.58 H new ATOM 0 HA SER A 70 7.302 -6.493 2.055 1.00 0.62 H new ATOM 0 HB2 SER A 70 5.288 -8.766 1.849 1.00 0.79 H new ATOM 0 HB3 SER A 70 6.966 -8.912 1.367 1.00 0.79 H new ATOM 0 HG SER A 70 6.733 -7.782 3.864 1.00 1.71 H new ATOM 1073 N LEU A 71 7.017 -5.720 -0.319 1.00 0.72 N ATOM 1074 CA LEU A 71 7.055 -5.374 -1.740 1.00 0.78 C ATOM 1075 C LEU A 71 7.522 -6.537 -2.617 1.00 0.89 C ATOM 1076 O LEU A 71 8.608 -6.514 -3.186 1.00 1.70 O ATOM 1077 CB LEU A 71 7.793 -4.042 -1.978 1.00 1.24 C ATOM 1078 CG LEU A 71 9.303 -3.924 -1.678 1.00 1.20 C ATOM 1079 CD1 LEU A 71 9.775 -2.541 -2.152 1.00 1.79 C ATOM 1080 CD2 LEU A 71 9.650 -4.076 -0.191 1.00 2.63 C ATOM 0 H LEU A 71 7.705 -5.205 0.231 1.00 0.72 H new ATOM 0 HA LEU A 71 6.031 -5.195 -2.069 1.00 0.78 H new ATOM 0 HB2 LEU A 71 7.650 -3.777 -3.026 1.00 1.24 H new ATOM 0 HB3 LEU A 71 7.286 -3.281 -1.385 1.00 1.24 H new ATOM 0 HG LEU A 71 9.803 -4.739 -2.202 1.00 1.20 H new ATOM 0 HD11 LEU A 71 10.841 -2.432 -1.951 1.00 1.79 H new ATOM 0 HD12 LEU A 71 9.595 -2.442 -3.223 1.00 1.79 H new ATOM 0 HD13 LEU A 71 9.224 -1.766 -1.619 1.00 1.79 H new ATOM 0 HD21 LEU A 71 10.728 -3.982 -0.057 1.00 2.63 H new ATOM 0 HD22 LEU A 71 9.144 -3.299 0.382 1.00 2.63 H new ATOM 0 HD23 LEU A 71 9.325 -5.055 0.160 1.00 2.63 H new ATOM 1092 N VAL A 72 6.655 -7.544 -2.751 1.00 0.95 N ATOM 1093 CA VAL A 72 6.876 -8.696 -3.603 1.00 1.05 C ATOM 1094 C VAL A 72 7.154 -8.268 -5.047 1.00 1.23 C ATOM 1095 O VAL A 72 8.143 -8.715 -5.622 1.00 2.45 O ATOM 1096 CB VAL A 72 5.714 -9.703 -3.485 1.00 1.10 C ATOM 1097 CG1 VAL A 72 5.645 -10.298 -2.073 1.00 1.25 C ATOM 1098 CG2 VAL A 72 4.337 -9.151 -3.881 1.00 1.20 C ATOM 0 H VAL A 72 5.764 -7.574 -2.256 1.00 0.95 H new ATOM 0 HA VAL A 72 7.770 -9.216 -3.259 1.00 1.05 H new ATOM 0 HB VAL A 72 5.948 -10.479 -4.214 1.00 1.10 H new ATOM 0 HG11 VAL A 72 4.817 -11.005 -2.016 1.00 1.25 H new ATOM 0 HG12 VAL A 72 6.579 -10.814 -1.850 1.00 1.25 H new ATOM 0 HG13 VAL A 72 5.490 -9.499 -1.348 1.00 1.25 H new ATOM 0 HG21 VAL A 72 3.585 -9.932 -3.765 1.00 1.20 H new ATOM 0 HG22 VAL A 72 4.085 -8.307 -3.239 1.00 1.20 H new ATOM 0 HG23 VAL A 72 4.362 -8.823 -4.920 1.00 1.20 H new