USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 120 SER OG : rot -49:sc= 0.636 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 122:sc= 0.701 USER MOD Single : A 11 SER OG : rot 180:sc= -0.594 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -156:sc= -4.56! (180deg=-6.09!) USER MOD Single : A 19 HIS : no HD1:sc= -3.17! K(o=-3.2!,f=-0.94) USER MOD Single : A 21 THR OG1 : rot 65:sc= 0.183 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -104:sc= -0.424 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 74 TYR OH : rot 172:sc= 0.211 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0771 USER MOD Single : A 83 THR OG1 : rot 100:sc= 0.0788 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -130:sc= 0.0309 USER MOD Single : A 105 LYS NZ :NH3+ -111:sc= 0.121 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.640 -0.250 -1.818 1.00 21.13 N ATOM 2 CA MET A 1 2.647 0.801 -1.903 1.00 4.15 C ATOM 3 C MET A 1 4.033 0.254 -1.575 1.00 61.12 C ATOM 4 O MET A 1 4.387 0.094 -0.407 1.00 30.23 O ATOM 5 CB MET A 1 2.301 1.947 -0.950 1.00 53.12 C ATOM 6 CG MET A 1 1.413 3.010 -1.576 1.00 55.03 C ATOM 7 SD MET A 1 1.277 4.491 -0.556 1.00 70.25 S ATOM 8 CE MET A 1 2.478 5.558 -1.348 1.00 52.22 C ATOM 0 H1 MET A 1 0.705 0.146 -2.045 1.00 21.13 H new ATOM 0 H2 MET A 1 1.870 -1.006 -2.494 1.00 21.13 H new ATOM 0 H3 MET A 1 1.626 -0.640 -0.854 1.00 21.13 H new ATOM 0 HA MET A 1 2.657 1.178 -2.926 1.00 4.15 H new ATOM 0 HB2 MET A 1 1.802 1.540 -0.071 1.00 53.12 H new ATOM 0 HB3 MET A 1 3.224 2.413 -0.605 1.00 53.12 H new ATOM 0 HG2 MET A 1 1.812 3.282 -2.553 1.00 55.03 H new ATOM 0 HG3 MET A 1 0.419 2.595 -1.742 1.00 55.03 H new ATOM 0 HE1 MET A 1 2.511 6.516 -0.830 1.00 52.22 H new ATOM 0 HE2 MET A 1 3.462 5.090 -1.309 1.00 52.22 H new ATOM 0 HE3 MET A 1 2.193 5.717 -2.388 1.00 52.22 H new ATOM 18 N ILE A 2 4.812 -0.031 -2.613 1.00 61.11 N ATOM 19 CA ILE A 2 6.159 -0.559 -2.435 1.00 32.45 C ATOM 20 C ILE A 2 7.065 0.463 -1.758 1.00 2.15 C ATOM 21 O ILE A 2 7.446 1.466 -2.361 1.00 50.13 O ATOM 22 CB ILE A 2 6.785 -0.972 -3.780 1.00 34.21 C ATOM 23 CG1 ILE A 2 5.881 -1.974 -4.502 1.00 31.04 C ATOM 24 CG2 ILE A 2 8.170 -1.562 -3.561 1.00 33.21 C ATOM 25 CD1 ILE A 2 5.716 -3.282 -3.760 1.00 60.22 C ATOM 0 H ILE A 2 4.533 0.095 -3.586 1.00 61.11 H new ATOM 0 HA ILE A 2 6.070 -1.440 -1.799 1.00 32.45 H new ATOM 0 HB ILE A 2 6.884 -0.085 -4.405 1.00 34.21 H new ATOM 0 HG12 ILE A 2 4.900 -1.524 -4.651 1.00 31.04 H new ATOM 0 HG13 ILE A 2 6.293 -2.176 -5.491 1.00 31.04 H new ATOM 0 HG21 ILE A 2 8.599 -1.849 -4.521 1.00 33.21 H new ATOM 0 HG22 ILE A 2 8.810 -0.820 -3.085 1.00 33.21 H new ATOM 0 HG23 ILE A 2 8.094 -2.441 -2.920 1.00 33.21 H new ATOM 0 HD11 ILE A 2 5.063 -3.944 -4.329 1.00 60.22 H new ATOM 0 HD12 ILE A 2 6.690 -3.754 -3.634 1.00 60.22 H new ATOM 0 HD13 ILE A 2 5.275 -3.092 -2.781 1.00 60.22 H new ATOM 37 N ARG A 3 7.408 0.201 -0.501 1.00 25.13 N ATOM 38 CA ARG A 3 8.271 1.098 0.259 1.00 61.13 C ATOM 39 C ARG A 3 9.725 0.641 0.190 1.00 23.14 C ATOM 40 O ARG A 3 10.637 1.455 0.039 1.00 23.35 O ATOM 41 CB ARG A 3 7.815 1.166 1.717 1.00 35.42 C ATOM 42 CG ARG A 3 8.113 2.497 2.388 1.00 73.33 C ATOM 43 CD ARG A 3 7.343 3.634 1.734 1.00 3.15 C ATOM 44 NE ARG A 3 7.330 4.835 2.566 1.00 23.40 N ATOM 45 CZ ARG A 3 6.609 4.953 3.675 1.00 33.30 C ATOM 46 NH1 ARG A 3 5.846 3.948 4.084 1.00 52.34 N ATOM 47 NH2 ARG A 3 6.650 6.077 4.378 1.00 11.32 N ATOM 0 H ARG A 3 7.102 -0.625 0.013 1.00 25.13 H new ATOM 0 HA ARG A 3 8.199 2.092 -0.183 1.00 61.13 H new ATOM 0 HB2 ARG A 3 6.742 0.978 1.762 1.00 35.42 H new ATOM 0 HB3 ARG A 3 8.302 0.369 2.279 1.00 35.42 H new ATOM 0 HG2 ARG A 3 7.852 2.440 3.445 1.00 73.33 H new ATOM 0 HG3 ARG A 3 9.182 2.702 2.334 1.00 73.33 H new ATOM 0 HD2 ARG A 3 7.791 3.867 0.768 1.00 3.15 H new ATOM 0 HD3 ARG A 3 6.319 3.315 1.542 1.00 3.15 H new ATOM 0 HE ARG A 3 7.906 5.626 2.279 1.00 23.40 H new ATOM 0 HH11 ARG A 3 5.812 3.082 3.546 1.00 52.34 H new ATOM 0 HH12 ARG A 3 5.293 4.041 4.936 1.00 52.34 H new ATOM 0 HH21 ARG A 3 7.236 6.852 4.067 1.00 11.32 H new ATOM 0 HH22 ARG A 3 6.096 6.166 5.230 1.00 11.32 H new ATOM 61 N THR A 4 9.935 -0.667 0.303 1.00 23.02 N ATOM 62 CA THR A 4 11.278 -1.232 0.256 1.00 33.52 C ATOM 63 C THR A 4 11.280 -2.586 -0.444 1.00 73.42 C ATOM 64 O THR A 4 10.244 -3.244 -0.548 1.00 14.35 O ATOM 65 CB THR A 4 11.868 -1.397 1.669 1.00 33.44 C ATOM 66 OG1 THR A 4 11.050 -2.283 2.442 1.00 74.45 O ATOM 67 CG2 THR A 4 11.971 -0.053 2.373 1.00 45.52 C ATOM 0 H THR A 4 9.192 -1.355 0.428 1.00 23.02 H new ATOM 0 HA THR A 4 11.895 -0.533 -0.308 1.00 33.52 H new ATOM 0 HB THR A 4 12.869 -1.818 1.573 1.00 33.44 H new ATOM 0 HG1 THR A 4 11.588 -3.043 2.746 1.00 74.45 H new ATOM 0 HG21 THR A 4 12.390 -0.195 3.369 1.00 45.52 H new ATOM 0 HG22 THR A 4 12.618 0.610 1.798 1.00 45.52 H new ATOM 0 HG23 THR A 4 10.979 0.391 2.457 1.00 45.52 H new ATOM 75 N ILE A 5 12.449 -2.998 -0.923 1.00 11.11 N ATOM 76 CA ILE A 5 12.585 -4.275 -1.612 1.00 31.21 C ATOM 77 C ILE A 5 13.902 -4.955 -1.254 1.00 60.32 C ATOM 78 O ILE A 5 14.911 -4.291 -1.013 1.00 61.24 O ATOM 79 CB ILE A 5 12.508 -4.101 -3.140 1.00 63.42 C ATOM 80 CG1 ILE A 5 11.245 -3.328 -3.525 1.00 4.12 C ATOM 81 CG2 ILE A 5 12.536 -5.457 -3.830 1.00 31.45 C ATOM 82 CD1 ILE A 5 11.186 -2.958 -4.990 1.00 43.23 C ATOM 0 H ILE A 5 13.316 -2.466 -0.846 1.00 11.11 H new ATOM 0 HA ILE A 5 11.755 -4.901 -1.284 1.00 31.21 H new ATOM 0 HB ILE A 5 13.376 -3.529 -3.469 1.00 63.42 H new ATOM 0 HG12 ILE A 5 10.371 -3.929 -3.275 1.00 4.12 H new ATOM 0 HG13 ILE A 5 11.189 -2.419 -2.926 1.00 4.12 H new ATOM 0 HG21 ILE A 5 12.481 -5.317 -4.910 1.00 31.45 H new ATOM 0 HG22 ILE A 5 13.462 -5.974 -3.578 1.00 31.45 H new ATOM 0 HG23 ILE A 5 11.686 -6.052 -3.497 1.00 31.45 H new ATOM 0 HD11 ILE A 5 10.264 -2.412 -5.191 1.00 43.23 H new ATOM 0 HD12 ILE A 5 12.041 -2.331 -5.242 1.00 43.23 H new ATOM 0 HD13 ILE A 5 11.210 -3.864 -5.595 1.00 43.23 H new ATOM 94 N LEU A 6 13.886 -6.283 -1.223 1.00 22.22 N ATOM 95 CA LEU A 6 15.080 -7.055 -0.896 1.00 64.14 C ATOM 96 C LEU A 6 15.307 -8.166 -1.917 1.00 54.20 C ATOM 97 O LEU A 6 14.363 -8.830 -2.346 1.00 3.31 O ATOM 98 CB LEU A 6 14.958 -7.653 0.506 1.00 14.12 C ATOM 99 CG LEU A 6 16.166 -8.445 1.006 1.00 30.51 C ATOM 100 CD1 LEU A 6 17.026 -7.587 1.920 1.00 23.03 C ATOM 101 CD2 LEU A 6 15.715 -9.708 1.726 1.00 71.11 C ATOM 0 H LEU A 6 13.060 -6.848 -1.420 1.00 22.22 H new ATOM 0 HA LEU A 6 15.936 -6.381 -0.923 1.00 64.14 H new ATOM 0 HB2 LEU A 6 14.764 -6.843 1.209 1.00 14.12 H new ATOM 0 HB3 LEU A 6 14.087 -8.307 0.525 1.00 14.12 H new ATOM 0 HG LEU A 6 16.767 -8.736 0.144 1.00 30.51 H new ATOM 0 HD11 LEU A 6 17.881 -8.168 2.266 1.00 23.03 H new ATOM 0 HD12 LEU A 6 17.379 -6.713 1.373 1.00 23.03 H new ATOM 0 HD13 LEU A 6 16.436 -7.264 2.778 1.00 23.03 H new ATOM 0 HD21 LEU A 6 16.588 -10.259 2.075 1.00 71.11 H new ATOM 0 HD22 LEU A 6 15.092 -9.438 2.578 1.00 71.11 H new ATOM 0 HD23 LEU A 6 15.142 -10.332 1.041 1.00 71.11 H new ATOM 113 N ALA A 7 16.564 -8.363 -2.300 1.00 73.31 N ATOM 114 CA ALA A 7 16.914 -9.396 -3.267 1.00 25.32 C ATOM 115 C ALA A 7 18.256 -10.036 -2.924 1.00 73.13 C ATOM 116 O ALA A 7 19.286 -9.362 -2.894 1.00 53.14 O ATOM 117 CB ALA A 7 16.949 -8.814 -4.672 1.00 74.42 C ATOM 0 H ALA A 7 17.357 -7.821 -1.956 1.00 73.31 H new ATOM 0 HA ALA A 7 16.149 -10.172 -3.226 1.00 25.32 H new ATOM 0 HB1 ALA A 7 17.212 -9.597 -5.384 1.00 74.42 H new ATOM 0 HB2 ALA A 7 15.968 -8.410 -4.923 1.00 74.42 H new ATOM 0 HB3 ALA A 7 17.692 -8.018 -4.718 1.00 74.42 H new ATOM 123 N ILE A 8 18.236 -11.339 -2.666 1.00 75.31 N ATOM 124 CA ILE A 8 19.451 -12.069 -2.326 1.00 74.01 C ATOM 125 C ILE A 8 19.854 -13.018 -3.449 1.00 62.41 C ATOM 126 O ILE A 8 19.089 -13.903 -3.833 1.00 54.35 O ATOM 127 CB ILE A 8 19.278 -12.875 -1.025 1.00 51.11 C ATOM 128 CG1 ILE A 8 18.685 -11.990 0.074 1.00 65.23 C ATOM 129 CG2 ILE A 8 20.612 -13.458 -0.582 1.00 14.40 C ATOM 130 CD1 ILE A 8 17.258 -12.342 0.429 1.00 73.04 C ATOM 0 H ILE A 8 17.392 -11.911 -2.686 1.00 75.31 H new ATOM 0 HA ILE A 8 20.236 -11.326 -2.182 1.00 74.01 H new ATOM 0 HB ILE A 8 18.589 -13.698 -1.213 1.00 51.11 H new ATOM 0 HG12 ILE A 8 19.304 -12.071 0.968 1.00 65.23 H new ATOM 0 HG13 ILE A 8 18.725 -10.949 -0.248 1.00 65.23 H new ATOM 0 HG21 ILE A 8 20.474 -14.025 0.339 1.00 14.40 H new ATOM 0 HG22 ILE A 8 20.997 -14.117 -1.360 1.00 14.40 H new ATOM 0 HG23 ILE A 8 21.322 -12.650 -0.407 1.00 14.40 H new ATOM 0 HD11 ILE A 8 16.903 -11.674 1.214 1.00 73.04 H new ATOM 0 HD12 ILE A 8 16.626 -12.233 -0.453 1.00 73.04 H new ATOM 0 HD13 ILE A 8 17.214 -13.372 0.782 1.00 73.04 H new ATOM 142 N ASP A 9 21.062 -12.830 -3.970 1.00 55.02 N ATOM 143 CA ASP A 9 21.569 -13.671 -5.048 1.00 20.43 C ATOM 144 C ASP A 9 23.008 -14.096 -4.774 1.00 5.23 C ATOM 145 O ASP A 9 23.654 -13.583 -3.859 1.00 40.25 O ATOM 146 CB ASP A 9 21.488 -12.931 -6.383 1.00 40.33 C ATOM 147 CG ASP A 9 20.261 -12.045 -6.481 1.00 22.41 C ATOM 148 OD1 ASP A 9 19.161 -12.582 -6.725 1.00 34.22 O ATOM 149 OD2 ASP A 9 20.402 -10.815 -6.314 1.00 72.52 O ATOM 0 H ASP A 9 21.708 -12.103 -3.663 1.00 55.02 H new ATOM 0 HA ASP A 9 20.948 -14.566 -5.100 1.00 20.43 H new ATOM 0 HB2 ASP A 9 22.383 -12.323 -6.513 1.00 40.33 H new ATOM 0 HB3 ASP A 9 21.475 -13.656 -7.197 1.00 40.33 H new ATOM 154 N ASP A 10 23.505 -15.036 -5.571 1.00 15.33 N ATOM 155 CA ASP A 10 24.868 -15.530 -5.414 1.00 52.54 C ATOM 156 C ASP A 10 25.725 -15.149 -6.618 1.00 32.33 C ATOM 157 O ASP A 10 26.495 -15.964 -7.126 1.00 52.02 O ATOM 158 CB ASP A 10 24.865 -17.048 -5.234 1.00 23.32 C ATOM 159 CG ASP A 10 23.908 -17.743 -6.183 1.00 4.41 C ATOM 160 OD1 ASP A 10 22.759 -18.010 -5.775 1.00 60.41 O ATOM 161 OD2 ASP A 10 24.309 -18.019 -7.333 1.00 41.12 O ATOM 0 H ASP A 10 22.984 -15.471 -6.332 1.00 15.33 H new ATOM 0 HA ASP A 10 25.296 -15.068 -4.525 1.00 52.54 H new ATOM 0 HB2 ASP A 10 25.873 -17.432 -5.394 1.00 23.32 H new ATOM 0 HB3 ASP A 10 24.592 -17.288 -4.207 1.00 23.32 H new ATOM 166 N SER A 11 25.585 -13.907 -7.069 1.00 14.22 N ATOM 167 CA SER A 11 26.342 -13.420 -8.216 1.00 2.13 C ATOM 168 C SER A 11 26.272 -11.899 -8.307 1.00 54.41 C ATOM 169 O SER A 11 25.188 -11.319 -8.369 1.00 73.34 O ATOM 170 CB SER A 11 25.811 -14.045 -9.507 1.00 62.01 C ATOM 171 OG SER A 11 24.576 -13.463 -9.885 1.00 34.01 O ATOM 0 H SER A 11 24.954 -13.219 -6.657 1.00 14.22 H new ATOM 0 HA SER A 11 27.384 -13.711 -8.082 1.00 2.13 H new ATOM 0 HB2 SER A 11 26.540 -13.910 -10.306 1.00 62.01 H new ATOM 0 HB3 SER A 11 25.684 -15.119 -9.369 1.00 62.01 H new ATOM 0 HG SER A 11 24.259 -13.879 -10.714 1.00 34.01 H new ATOM 177 N ALA A 12 27.436 -11.258 -8.315 1.00 11.04 N ATOM 178 CA ALA A 12 27.508 -9.805 -8.400 1.00 54.44 C ATOM 179 C ALA A 12 26.686 -9.283 -9.574 1.00 42.24 C ATOM 180 O ALA A 12 26.048 -8.233 -9.482 1.00 64.33 O ATOM 181 CB ALA A 12 28.956 -9.354 -8.525 1.00 74.11 C ATOM 0 H ALA A 12 28.343 -11.723 -8.264 1.00 11.04 H new ATOM 0 HA ALA A 12 27.088 -9.391 -7.483 1.00 54.44 H new ATOM 0 HB1 ALA A 12 28.994 -8.266 -8.588 1.00 74.11 H new ATOM 0 HB2 ALA A 12 29.518 -9.687 -7.652 1.00 74.11 H new ATOM 0 HB3 ALA A 12 29.395 -9.785 -9.425 1.00 74.11 H new ATOM 187 N THR A 13 26.706 -10.022 -10.680 1.00 1.44 N ATOM 188 CA THR A 13 25.965 -9.632 -11.873 1.00 31.55 C ATOM 189 C THR A 13 24.472 -9.532 -11.584 1.00 15.15 C ATOM 190 O THR A 13 23.832 -8.534 -11.913 1.00 40.44 O ATOM 191 CB THR A 13 26.187 -10.632 -13.023 1.00 63.11 C ATOM 192 OG1 THR A 13 27.579 -10.696 -13.354 1.00 60.41 O ATOM 193 CG2 THR A 13 25.387 -10.229 -14.252 1.00 73.33 C ATOM 0 H THR A 13 27.227 -10.894 -10.774 1.00 1.44 H new ATOM 0 HA THR A 13 26.341 -8.654 -12.173 1.00 31.55 H new ATOM 0 HB THR A 13 25.847 -11.613 -12.693 1.00 63.11 H new ATOM 0 HG1 THR A 13 27.712 -11.335 -14.085 1.00 60.41 H new ATOM 0 HG21 THR A 13 25.560 -10.950 -15.051 1.00 73.33 H new ATOM 0 HG22 THR A 13 24.326 -10.209 -14.005 1.00 73.33 H new ATOM 0 HG23 THR A 13 25.702 -9.239 -14.582 1.00 73.33 H new ATOM 201 N MET A 14 23.922 -10.572 -10.965 1.00 11.20 N ATOM 202 CA MET A 14 22.503 -10.599 -10.630 1.00 12.41 C ATOM 203 C MET A 14 22.183 -9.585 -9.535 1.00 65.33 C ATOM 204 O MET A 14 21.244 -8.800 -9.659 1.00 14.12 O ATOM 205 CB MET A 14 22.090 -12.001 -10.179 1.00 73.01 C ATOM 206 CG MET A 14 20.594 -12.150 -9.949 1.00 45.43 C ATOM 207 SD MET A 14 19.737 -12.837 -11.379 1.00 11.03 S ATOM 208 CE MET A 14 18.289 -13.545 -10.597 1.00 1.41 C ATOM 0 H MET A 14 24.437 -11.407 -10.685 1.00 11.20 H new ATOM 0 HA MET A 14 21.939 -10.332 -11.524 1.00 12.41 H new ATOM 0 HB2 MET A 14 22.407 -12.724 -10.931 1.00 73.01 H new ATOM 0 HB3 MET A 14 22.617 -12.247 -9.257 1.00 73.01 H new ATOM 0 HG2 MET A 14 20.425 -12.793 -9.085 1.00 45.43 H new ATOM 0 HG3 MET A 14 20.168 -11.176 -9.709 1.00 45.43 H new ATOM 0 HE1 MET A 14 17.891 -14.343 -11.224 1.00 1.41 H new ATOM 0 HE2 MET A 14 18.563 -13.951 -9.623 1.00 1.41 H new ATOM 0 HE3 MET A 14 17.531 -12.772 -10.468 1.00 1.41 H new ATOM 218 N ARG A 15 22.971 -9.609 -8.465 1.00 60.10 N ATOM 219 CA ARG A 15 22.771 -8.693 -7.348 1.00 75.45 C ATOM 220 C ARG A 15 22.743 -7.246 -7.831 1.00 11.04 C ATOM 221 O ARG A 15 21.981 -6.426 -7.320 1.00 53.31 O ATOM 222 CB ARG A 15 23.877 -8.874 -6.308 1.00 31.53 C ATOM 223 CG ARG A 15 23.503 -9.823 -5.181 1.00 25.35 C ATOM 224 CD ARG A 15 24.614 -9.925 -4.147 1.00 1.33 C ATOM 225 NE ARG A 15 25.070 -8.610 -3.703 1.00 23.43 N ATOM 226 CZ ARG A 15 26.210 -8.410 -3.051 1.00 1.42 C ATOM 227 NH1 ARG A 15 27.005 -9.432 -2.769 1.00 65.31 N ATOM 228 NH2 ARG A 15 26.557 -7.184 -2.680 1.00 13.31 N ATOM 0 H ARG A 15 23.754 -10.253 -8.348 1.00 60.10 H new ATOM 0 HA ARG A 15 21.810 -8.923 -6.889 1.00 75.45 H new ATOM 0 HB2 ARG A 15 24.773 -9.247 -6.804 1.00 31.53 H new ATOM 0 HB3 ARG A 15 24.129 -7.902 -5.885 1.00 31.53 H new ATOM 0 HG2 ARG A 15 22.588 -9.476 -4.701 1.00 25.35 H new ATOM 0 HG3 ARG A 15 23.294 -10.811 -5.590 1.00 25.35 H new ATOM 0 HD2 ARG A 15 24.259 -10.495 -3.288 1.00 1.33 H new ATOM 0 HD3 ARG A 15 25.454 -10.476 -4.570 1.00 1.33 H new ATOM 0 HE ARG A 15 24.481 -7.802 -3.905 1.00 23.43 H new ATOM 0 HH11 ARG A 15 26.742 -10.376 -3.053 1.00 65.31 H new ATOM 0 HH12 ARG A 15 27.880 -9.275 -2.268 1.00 65.31 H new ATOM 0 HH21 ARG A 15 25.948 -6.394 -2.895 1.00 13.31 H new ATOM 0 HH22 ARG A 15 27.432 -7.031 -2.179 1.00 13.31 H new ATOM 242 N ALA A 16 23.580 -6.940 -8.817 1.00 30.15 N ATOM 243 CA ALA A 16 23.650 -5.593 -9.368 1.00 45.24 C ATOM 244 C ALA A 16 22.529 -5.352 -10.373 1.00 40.22 C ATOM 245 O ALA A 16 21.876 -4.307 -10.352 1.00 24.30 O ATOM 246 CB ALA A 16 25.005 -5.360 -10.021 1.00 2.14 C ATOM 0 H ALA A 16 24.219 -7.607 -9.250 1.00 30.15 H new ATOM 0 HA ALA A 16 23.527 -4.885 -8.548 1.00 45.24 H new ATOM 0 HB1 ALA A 16 25.044 -4.350 -10.429 1.00 2.14 H new ATOM 0 HB2 ALA A 16 25.793 -5.482 -9.278 1.00 2.14 H new ATOM 0 HB3 ALA A 16 25.150 -6.081 -10.825 1.00 2.14 H new ATOM 252 N LEU A 17 22.310 -6.323 -11.253 1.00 4.03 N ATOM 253 CA LEU A 17 21.267 -6.216 -12.267 1.00 63.10 C ATOM 254 C LEU A 17 19.920 -5.889 -11.631 1.00 3.15 C ATOM 255 O LEU A 17 19.326 -4.847 -11.911 1.00 11.14 O ATOM 256 CB LEU A 17 21.166 -7.519 -13.062 1.00 33.34 C ATOM 257 CG LEU A 17 20.209 -7.505 -14.254 1.00 62.25 C ATOM 258 CD1 LEU A 17 18.772 -7.683 -13.789 1.00 25.52 C ATOM 259 CD2 LEU A 17 20.360 -6.213 -15.043 1.00 54.34 C ATOM 0 H LEU A 17 22.841 -7.193 -11.285 1.00 4.03 H new ATOM 0 HA LEU A 17 21.534 -5.404 -12.944 1.00 63.10 H new ATOM 0 HB2 LEU A 17 22.161 -7.779 -13.423 1.00 33.34 H new ATOM 0 HB3 LEU A 17 20.856 -8.313 -12.382 1.00 33.34 H new ATOM 0 HG LEU A 17 20.462 -8.339 -14.908 1.00 62.25 H new ATOM 0 HD11 LEU A 17 18.106 -7.670 -14.652 1.00 25.52 H new ATOM 0 HD12 LEU A 17 18.673 -8.636 -13.269 1.00 25.52 H new ATOM 0 HD13 LEU A 17 18.505 -6.871 -13.113 1.00 25.52 H new ATOM 0 HD21 LEU A 17 19.671 -6.220 -15.888 1.00 54.34 H new ATOM 0 HD22 LEU A 17 20.134 -5.364 -14.398 1.00 54.34 H new ATOM 0 HD23 LEU A 17 21.383 -6.128 -15.409 1.00 54.34 H new ATOM 271 N LEU A 18 19.445 -6.784 -10.772 1.00 12.24 N ATOM 272 CA LEU A 18 18.168 -6.590 -10.093 1.00 4.54 C ATOM 273 C LEU A 18 18.168 -5.289 -9.295 1.00 61.23 C ATOM 274 O LEU A 18 17.244 -4.483 -9.403 1.00 53.31 O ATOM 275 CB LEU A 18 17.877 -7.770 -9.165 1.00 22.15 C ATOM 276 CG LEU A 18 18.031 -9.161 -9.780 1.00 25.52 C ATOM 277 CD1 LEU A 18 17.766 -10.238 -8.739 1.00 15.11 C ATOM 278 CD2 LEU A 18 17.097 -9.325 -10.970 1.00 20.14 C ATOM 0 H LEU A 18 19.924 -7.651 -10.529 1.00 12.24 H new ATOM 0 HA LEU A 18 17.387 -6.530 -10.851 1.00 4.54 H new ATOM 0 HB2 LEU A 18 18.540 -7.700 -8.303 1.00 22.15 H new ATOM 0 HB3 LEU A 18 16.858 -7.670 -8.792 1.00 22.15 H new ATOM 0 HG LEU A 18 19.057 -9.270 -10.132 1.00 25.52 H new ATOM 0 HD11 LEU A 18 17.880 -11.221 -9.195 1.00 15.11 H new ATOM 0 HD12 LEU A 18 18.476 -10.134 -7.919 1.00 15.11 H new ATOM 0 HD13 LEU A 18 16.751 -10.132 -8.356 1.00 15.11 H new ATOM 0 HD21 LEU A 18 17.221 -10.321 -11.395 1.00 20.14 H new ATOM 0 HD22 LEU A 18 16.065 -9.195 -10.643 1.00 20.14 H new ATOM 0 HD23 LEU A 18 17.335 -8.576 -11.725 1.00 20.14 H new ATOM 290 N HIS A 19 19.212 -5.091 -8.496 1.00 53.43 N ATOM 291 CA HIS A 19 19.333 -3.886 -7.683 1.00 24.14 C ATOM 292 C HIS A 19 19.157 -2.634 -8.536 1.00 41.21 C ATOM 293 O HIS A 19 18.571 -1.647 -8.093 1.00 43.50 O ATOM 294 CB HIS A 19 20.692 -3.853 -6.982 1.00 62.35 C ATOM 295 CG HIS A 19 20.982 -2.553 -6.298 1.00 42.13 C ATOM 296 ND1 HIS A 19 22.104 -1.797 -6.564 1.00 2.42 N ATOM 297 CD2 HIS A 19 20.288 -1.875 -5.355 1.00 55.42 C ATOM 298 CE1 HIS A 19 22.088 -0.710 -5.812 1.00 60.23 C ATOM 299 NE2 HIS A 19 20.996 -0.733 -5.070 1.00 72.20 N ATOM 0 H HIS A 19 19.985 -5.748 -8.394 1.00 53.43 H new ATOM 0 HA HIS A 19 18.544 -3.905 -6.931 1.00 24.14 H new ATOM 0 HB2 HIS A 19 20.732 -4.657 -6.247 1.00 62.35 H new ATOM 0 HB3 HIS A 19 21.474 -4.051 -7.715 1.00 62.35 H new ATOM 0 HD2 HIS A 19 19.351 -2.176 -4.909 1.00 55.42 H new ATOM 0 HE1 HIS A 19 22.840 0.065 -5.806 1.00 60.23 H new ATOM 0 HE2 HIS A 19 20.723 -0.019 -4.395 1.00 72.20 H new ATOM 307 N ALA A 20 19.669 -2.682 -9.762 1.00 31.03 N ATOM 308 CA ALA A 20 19.567 -1.552 -10.677 1.00 72.31 C ATOM 309 C ALA A 20 18.159 -1.438 -11.253 1.00 4.31 C ATOM 310 O ALA A 20 17.581 -0.351 -11.297 1.00 23.24 O ATOM 311 CB ALA A 20 20.588 -1.687 -11.797 1.00 0.40 C ATOM 0 H ALA A 20 20.158 -3.491 -10.144 1.00 31.03 H new ATOM 0 HA ALA A 20 19.777 -0.641 -10.116 1.00 72.31 H new ATOM 0 HB1 ALA A 20 20.501 -0.837 -12.473 1.00 0.40 H new ATOM 0 HB2 ALA A 20 21.592 -1.712 -11.373 1.00 0.40 H new ATOM 0 HB3 ALA A 20 20.404 -2.609 -12.348 1.00 0.40 H new ATOM 317 N THR A 21 17.612 -2.566 -11.695 1.00 41.31 N ATOM 318 CA THR A 21 16.273 -2.591 -12.270 1.00 62.41 C ATOM 319 C THR A 21 15.267 -1.908 -11.351 1.00 71.32 C ATOM 320 O THR A 21 14.391 -1.173 -11.810 1.00 23.15 O ATOM 321 CB THR A 21 15.806 -4.034 -12.542 1.00 42.10 C ATOM 322 OG1 THR A 21 16.925 -4.851 -12.904 1.00 51.01 O ATOM 323 CG2 THR A 21 14.768 -4.066 -13.653 1.00 74.01 C ATOM 0 H THR A 21 18.076 -3.474 -11.666 1.00 41.31 H new ATOM 0 HA THR A 21 16.324 -2.049 -13.214 1.00 62.41 H new ATOM 0 HB THR A 21 15.352 -4.424 -11.631 1.00 42.10 H new ATOM 0 HG1 THR A 21 17.540 -4.919 -12.144 1.00 51.01 H new ATOM 0 HG21 THR A 21 14.453 -5.095 -13.827 1.00 74.01 H new ATOM 0 HG22 THR A 21 13.905 -3.467 -13.362 1.00 74.01 H new ATOM 0 HG23 THR A 21 15.201 -3.659 -14.567 1.00 74.01 H new ATOM 331 N LEU A 22 15.397 -2.154 -10.052 1.00 61.43 N ATOM 332 CA LEU A 22 14.499 -1.562 -9.067 1.00 52.34 C ATOM 333 C LEU A 22 14.958 -0.158 -8.686 1.00 63.03 C ATOM 334 O LEU A 22 14.141 0.720 -8.412 1.00 42.21 O ATOM 335 CB LEU A 22 14.425 -2.443 -7.819 1.00 64.14 C ATOM 336 CG LEU A 22 13.565 -3.702 -7.936 1.00 41.23 C ATOM 337 CD1 LEU A 22 13.741 -4.584 -6.710 1.00 74.00 C ATOM 338 CD2 LEU A 22 12.101 -3.332 -8.124 1.00 41.32 C ATOM 0 H LEU A 22 16.116 -2.760 -9.656 1.00 61.43 H new ATOM 0 HA LEU A 22 13.507 -1.492 -9.513 1.00 52.34 H new ATOM 0 HB2 LEU A 22 15.438 -2.743 -7.550 1.00 64.14 H new ATOM 0 HB3 LEU A 22 14.041 -1.840 -6.996 1.00 64.14 H new ATOM 0 HG LEU A 22 13.892 -4.263 -8.811 1.00 41.23 H new ATOM 0 HD11 LEU A 22 13.121 -5.475 -6.811 1.00 74.00 H new ATOM 0 HD12 LEU A 22 14.787 -4.877 -6.620 1.00 74.00 H new ATOM 0 HD13 LEU A 22 13.441 -4.033 -5.819 1.00 74.00 H new ATOM 0 HD21 LEU A 22 11.504 -4.240 -8.205 1.00 41.32 H new ATOM 0 HD22 LEU A 22 11.760 -2.749 -7.268 1.00 41.32 H new ATOM 0 HD23 LEU A 22 11.989 -2.741 -9.033 1.00 41.32 H new ATOM 350 N ALA A 23 16.272 0.046 -8.673 1.00 75.15 N ATOM 351 CA ALA A 23 16.840 1.344 -8.331 1.00 33.35 C ATOM 352 C ALA A 23 16.355 2.426 -9.289 1.00 70.13 C ATOM 353 O ALA A 23 15.828 3.453 -8.864 1.00 3.53 O ATOM 354 CB ALA A 23 18.360 1.273 -8.337 1.00 35.34 C ATOM 0 H ALA A 23 16.962 -0.671 -8.895 1.00 75.15 H new ATOM 0 HA ALA A 23 16.503 1.607 -7.328 1.00 33.35 H new ATOM 0 HB1 ALA A 23 18.771 2.249 -8.080 1.00 35.34 H new ATOM 0 HB2 ALA A 23 18.693 0.536 -7.607 1.00 35.34 H new ATOM 0 HB3 ALA A 23 18.707 0.983 -9.329 1.00 35.34 H new ATOM 360 N GLN A 24 16.537 2.188 -10.584 1.00 63.31 N ATOM 361 CA GLN A 24 16.119 3.144 -11.602 1.00 62.15 C ATOM 362 C GLN A 24 14.642 3.492 -11.449 1.00 62.30 C ATOM 363 O GLN A 24 14.239 4.636 -11.656 1.00 23.11 O ATOM 364 CB GLN A 24 16.380 2.579 -13.000 1.00 51.30 C ATOM 365 CG GLN A 24 15.945 1.132 -13.162 1.00 63.41 C ATOM 366 CD GLN A 24 15.042 0.924 -14.362 1.00 2.31 C ATOM 367 OE1 GLN A 24 13.994 1.559 -14.481 1.00 74.42 O ATOM 368 NE2 GLN A 24 15.445 0.033 -15.260 1.00 23.55 N ATOM 0 H GLN A 24 16.971 1.342 -10.953 1.00 63.31 H new ATOM 0 HA GLN A 24 16.703 4.055 -11.471 1.00 62.15 H new ATOM 0 HB2 GLN A 24 15.856 3.191 -13.734 1.00 51.30 H new ATOM 0 HB3 GLN A 24 17.444 2.657 -13.221 1.00 51.30 H new ATOM 0 HG2 GLN A 24 16.828 0.501 -13.263 1.00 63.41 H new ATOM 0 HG3 GLN A 24 15.424 0.810 -12.260 1.00 63.41 H new ATOM 0 HE21 GLN A 24 16.321 -0.471 -15.121 1.00 23.55 H new ATOM 0 HE22 GLN A 24 14.879 -0.148 -16.089 1.00 23.55 H new ATOM 377 N ALA A 25 13.840 2.497 -11.085 1.00 72.44 N ATOM 378 CA ALA A 25 12.408 2.698 -10.903 1.00 33.03 C ATOM 379 C ALA A 25 12.129 3.617 -9.718 1.00 22.31 C ATOM 380 O ALA A 25 11.056 4.209 -9.618 1.00 54.01 O ATOM 381 CB ALA A 25 11.707 1.361 -10.713 1.00 31.15 C ATOM 0 H ALA A 25 14.158 1.544 -10.910 1.00 72.44 H new ATOM 0 HA ALA A 25 12.016 3.177 -11.801 1.00 33.03 H new ATOM 0 HB1 ALA A 25 10.638 1.527 -10.578 1.00 31.15 H new ATOM 0 HB2 ALA A 25 11.870 0.737 -11.592 1.00 31.15 H new ATOM 0 HB3 ALA A 25 12.110 0.860 -9.833 1.00 31.15 H new ATOM 387 N GLY A 26 13.104 3.730 -8.821 1.00 0.13 N ATOM 388 CA GLY A 26 12.943 4.578 -7.654 1.00 23.11 C ATOM 389 C GLY A 26 12.793 3.780 -6.374 1.00 14.11 C ATOM 390 O GLY A 26 13.207 4.226 -5.304 1.00 3.12 O ATOM 0 H GLY A 26 14.002 3.250 -8.882 1.00 0.13 H new ATOM 0 HA2 GLY A 26 13.805 5.239 -7.567 1.00 23.11 H new ATOM 0 HA3 GLY A 26 12.067 5.213 -7.788 1.00 23.11 H new ATOM 394 N TYR A 27 12.197 2.598 -6.482 1.00 55.03 N ATOM 395 CA TYR A 27 11.988 1.738 -5.323 1.00 62.05 C ATOM 396 C TYR A 27 13.283 1.563 -4.535 1.00 73.34 C ATOM 397 O TYR A 27 14.377 1.667 -5.088 1.00 70.53 O ATOM 398 CB TYR A 27 11.457 0.373 -5.764 1.00 64.21 C ATOM 399 CG TYR A 27 10.281 0.457 -6.710 1.00 14.13 C ATOM 400 CD1 TYR A 27 10.328 -0.138 -7.964 1.00 70.12 C ATOM 401 CD2 TYR A 27 9.121 1.131 -6.348 1.00 13.30 C ATOM 402 CE1 TYR A 27 9.255 -0.063 -8.831 1.00 44.25 C ATOM 403 CE2 TYR A 27 8.043 1.210 -7.208 1.00 53.52 C ATOM 404 CZ TYR A 27 8.115 0.612 -8.449 1.00 0.30 C ATOM 405 OH TYR A 27 7.044 0.688 -9.309 1.00 51.35 O ATOM 0 H TYR A 27 11.850 2.213 -7.361 1.00 55.03 H new ATOM 0 HA TYR A 27 11.252 2.215 -4.676 1.00 62.05 H new ATOM 0 HB2 TYR A 27 12.262 -0.182 -6.247 1.00 64.21 H new ATOM 0 HB3 TYR A 27 11.163 -0.195 -4.882 1.00 64.21 H new ATOM 0 HD1 TYR A 27 11.219 -0.668 -8.267 1.00 70.12 H new ATOM 0 HD2 TYR A 27 9.061 1.601 -5.378 1.00 13.30 H new ATOM 0 HE1 TYR A 27 9.309 -0.531 -9.803 1.00 44.25 H new ATOM 0 HE2 TYR A 27 7.149 1.737 -6.910 1.00 53.52 H new ATOM 0 HH TYR A 27 6.321 1.197 -8.887 1.00 51.35 H new ATOM 415 N GLU A 28 13.148 1.296 -3.240 1.00 73.51 N ATOM 416 CA GLU A 28 14.306 1.106 -2.375 1.00 63.22 C ATOM 417 C GLU A 28 14.708 -0.365 -2.318 1.00 73.45 C ATOM 418 O GLU A 28 14.362 -1.079 -1.377 1.00 31.02 O ATOM 419 CB GLU A 28 14.007 1.619 -0.965 1.00 64.11 C ATOM 420 CG GLU A 28 15.252 1.980 -0.172 1.00 63.21 C ATOM 421 CD GLU A 28 15.853 3.304 -0.601 1.00 4.32 C ATOM 422 OE1 GLU A 28 15.114 4.138 -1.164 1.00 73.43 O ATOM 423 OE2 GLU A 28 17.064 3.507 -0.372 1.00 44.21 O ATOM 0 H GLU A 28 12.249 1.206 -2.767 1.00 73.51 H new ATOM 0 HA GLU A 28 15.136 1.676 -2.793 1.00 63.22 H new ATOM 0 HB2 GLU A 28 13.364 2.496 -1.035 1.00 64.11 H new ATOM 0 HB3 GLU A 28 13.448 0.857 -0.421 1.00 64.11 H new ATOM 0 HG2 GLU A 28 15.003 2.025 0.888 1.00 63.21 H new ATOM 0 HG3 GLU A 28 15.996 1.192 -0.291 1.00 63.21 H new ATOM 430 N VAL A 29 15.440 -0.813 -3.334 1.00 13.41 N ATOM 431 CA VAL A 29 15.889 -2.198 -3.401 1.00 23.05 C ATOM 432 C VAL A 29 17.240 -2.371 -2.715 1.00 32.13 C ATOM 433 O VAL A 29 18.137 -1.541 -2.865 1.00 52.14 O ATOM 434 CB VAL A 29 16.000 -2.683 -4.858 1.00 43.43 C ATOM 435 CG1 VAL A 29 16.900 -1.756 -5.662 1.00 62.40 C ATOM 436 CG2 VAL A 29 16.515 -4.113 -4.906 1.00 61.20 C ATOM 0 H VAL A 29 15.734 -0.236 -4.122 1.00 13.41 H new ATOM 0 HA VAL A 29 15.141 -2.798 -2.883 1.00 23.05 H new ATOM 0 HB VAL A 29 15.006 -2.664 -5.306 1.00 43.43 H new ATOM 0 HG11 VAL A 29 16.967 -2.114 -6.689 1.00 62.40 H new ATOM 0 HG12 VAL A 29 16.484 -0.749 -5.655 1.00 62.40 H new ATOM 0 HG13 VAL A 29 17.895 -1.740 -5.218 1.00 62.40 H new ATOM 0 HG21 VAL A 29 16.587 -4.439 -5.944 1.00 61.20 H new ATOM 0 HG22 VAL A 29 17.500 -4.161 -4.441 1.00 61.20 H new ATOM 0 HG23 VAL A 29 15.828 -4.766 -4.368 1.00 61.20 H new ATOM 446 N THR A 30 17.379 -3.457 -1.960 1.00 2.53 N ATOM 447 CA THR A 30 18.620 -3.739 -1.250 1.00 21.35 C ATOM 448 C THR A 30 19.011 -5.206 -1.388 1.00 33.32 C ATOM 449 O THR A 30 18.153 -6.089 -1.397 1.00 20.44 O ATOM 450 CB THR A 30 18.504 -3.390 0.246 1.00 14.50 C ATOM 451 OG1 THR A 30 18.027 -2.048 0.400 1.00 44.22 O ATOM 452 CG2 THR A 30 19.847 -3.539 0.943 1.00 25.10 C ATOM 0 H THR A 30 16.648 -4.155 -1.825 1.00 2.53 H new ATOM 0 HA THR A 30 19.391 -3.115 -1.702 1.00 21.35 H new ATOM 0 HB THR A 30 17.797 -4.082 0.704 1.00 14.50 H new ATOM 0 HG1 THR A 30 17.954 -1.834 1.354 1.00 44.22 H new ATOM 0 HG21 THR A 30 19.739 -3.287 1.998 1.00 25.10 H new ATOM 0 HG22 THR A 30 20.193 -4.568 0.849 1.00 25.10 H new ATOM 0 HG23 THR A 30 20.572 -2.869 0.482 1.00 25.10 H new ATOM 460 N VAL A 31 20.311 -5.460 -1.495 1.00 21.11 N ATOM 461 CA VAL A 31 20.816 -6.821 -1.631 1.00 33.22 C ATOM 462 C VAL A 31 21.557 -7.261 -0.373 1.00 44.54 C ATOM 463 O VAL A 31 22.314 -6.489 0.215 1.00 51.40 O ATOM 464 CB VAL A 31 21.759 -6.952 -2.842 1.00 14.03 C ATOM 465 CG1 VAL A 31 21.069 -6.474 -4.110 1.00 55.41 C ATOM 466 CG2 VAL A 31 23.045 -6.177 -2.601 1.00 24.55 C ATOM 0 H VAL A 31 21.034 -4.741 -1.490 1.00 21.11 H new ATOM 0 HA VAL A 31 19.950 -7.466 -1.783 1.00 33.22 H new ATOM 0 HB VAL A 31 22.014 -8.004 -2.970 1.00 14.03 H new ATOM 0 HG11 VAL A 31 21.750 -6.574 -4.955 1.00 55.41 H new ATOM 0 HG12 VAL A 31 20.178 -7.076 -4.289 1.00 55.41 H new ATOM 0 HG13 VAL A 31 20.783 -5.428 -3.996 1.00 55.41 H new ATOM 0 HG21 VAL A 31 23.700 -6.280 -3.466 1.00 24.55 H new ATOM 0 HG22 VAL A 31 22.811 -5.124 -2.446 1.00 24.55 H new ATOM 0 HG23 VAL A 31 23.547 -6.571 -1.717 1.00 24.55 H new ATOM 476 N ALA A 32 21.335 -8.506 0.033 1.00 24.21 N ATOM 477 CA ALA A 32 21.985 -9.050 1.220 1.00 54.24 C ATOM 478 C ALA A 32 23.085 -10.035 0.840 1.00 2.25 C ATOM 479 O ALA A 32 23.379 -10.228 -0.339 1.00 4.42 O ATOM 480 CB ALA A 32 20.960 -9.722 2.121 1.00 55.11 C ATOM 0 H ALA A 32 20.710 -9.158 -0.442 1.00 24.21 H new ATOM 0 HA ALA A 32 22.445 -8.225 1.764 1.00 54.24 H new ATOM 0 HB1 ALA A 32 21.459 -10.124 3.003 1.00 55.11 H new ATOM 0 HB2 ALA A 32 20.211 -8.992 2.428 1.00 55.11 H new ATOM 0 HB3 ALA A 32 20.474 -10.533 1.578 1.00 55.11 H new ATOM 486 N ALA A 33 23.691 -10.655 1.848 1.00 35.10 N ATOM 487 CA ALA A 33 24.758 -11.621 1.620 1.00 72.24 C ATOM 488 C ALA A 33 24.193 -13.018 1.386 1.00 60.25 C ATOM 489 O ALA A 33 24.731 -13.791 0.592 1.00 2.24 O ATOM 490 CB ALA A 33 25.722 -11.630 2.796 1.00 23.14 C ATOM 0 H ALA A 33 23.461 -10.505 2.830 1.00 35.10 H new ATOM 0 HA ALA A 33 25.300 -11.322 0.723 1.00 72.24 H new ATOM 0 HB1 ALA A 33 26.514 -12.356 2.612 1.00 23.14 H new ATOM 0 HB2 ALA A 33 26.159 -10.639 2.916 1.00 23.14 H new ATOM 0 HB3 ALA A 33 25.185 -11.902 3.705 1.00 23.14 H new ATOM 496 N ASP A 34 23.107 -13.336 2.081 1.00 54.03 N ATOM 497 CA ASP A 34 22.468 -14.641 1.948 1.00 4.41 C ATOM 498 C ASP A 34 20.992 -14.564 2.323 1.00 12.22 C ATOM 499 O ASP A 34 20.562 -13.636 3.006 1.00 12.55 O ATOM 500 CB ASP A 34 23.178 -15.671 2.828 1.00 40.01 C ATOM 501 CG ASP A 34 24.531 -16.072 2.274 1.00 51.14 C ATOM 502 OD1 ASP A 34 25.542 -15.887 2.983 1.00 11.53 O ATOM 503 OD2 ASP A 34 24.579 -16.572 1.130 1.00 13.15 O ATOM 0 H ASP A 34 22.650 -12.708 2.743 1.00 54.03 H new ATOM 0 HA ASP A 34 22.543 -14.951 0.906 1.00 4.41 H new ATOM 0 HB2 ASP A 34 23.306 -15.262 3.830 1.00 40.01 H new ATOM 0 HB3 ASP A 34 22.551 -16.557 2.923 1.00 40.01 H new ATOM 508 N GLY A 35 20.219 -15.547 1.870 1.00 42.40 N ATOM 509 CA GLY A 35 18.799 -15.571 2.167 1.00 51.30 C ATOM 510 C GLY A 35 18.514 -15.433 3.649 1.00 22.35 C ATOM 511 O GLY A 35 17.493 -14.869 4.042 1.00 64.14 O ATOM 0 H GLY A 35 20.551 -16.327 1.303 1.00 42.40 H new ATOM 0 HA2 GLY A 35 18.305 -14.763 1.628 1.00 51.30 H new ATOM 0 HA3 GLY A 35 18.371 -16.505 1.803 1.00 51.30 H new ATOM 515 N GLU A 36 19.418 -15.952 4.475 1.00 42.22 N ATOM 516 CA GLU A 36 19.257 -15.886 5.922 1.00 13.25 C ATOM 517 C GLU A 36 19.414 -14.453 6.423 1.00 40.33 C ATOM 518 O GLU A 36 18.565 -13.942 7.153 1.00 61.32 O ATOM 519 CB GLU A 36 20.276 -16.794 6.614 1.00 42.44 C ATOM 520 CG GLU A 36 20.165 -16.790 8.129 1.00 24.30 C ATOM 521 CD GLU A 36 20.958 -17.910 8.774 1.00 21.34 C ATOM 522 OE1 GLU A 36 20.511 -18.426 9.821 1.00 44.24 O ATOM 523 OE2 GLU A 36 22.024 -18.271 8.234 1.00 24.10 O ATOM 0 H GLU A 36 20.269 -16.422 4.166 1.00 42.22 H new ATOM 0 HA GLU A 36 18.251 -16.229 6.165 1.00 13.25 H new ATOM 0 HB2 GLU A 36 20.146 -17.814 6.251 1.00 42.44 H new ATOM 0 HB3 GLU A 36 21.281 -16.480 6.331 1.00 42.44 H new ATOM 0 HG2 GLU A 36 20.517 -15.833 8.513 1.00 24.30 H new ATOM 0 HG3 GLU A 36 19.117 -16.881 8.413 1.00 24.30 H new ATOM 530 N ALA A 37 20.507 -13.810 6.024 1.00 11.24 N ATOM 531 CA ALA A 37 20.776 -12.436 6.430 1.00 14.13 C ATOM 532 C ALA A 37 19.659 -11.501 5.977 1.00 21.33 C ATOM 533 O ALA A 37 19.329 -10.534 6.663 1.00 65.24 O ATOM 534 CB ALA A 37 22.113 -11.973 5.872 1.00 2.24 C ATOM 0 H ALA A 37 21.220 -14.219 5.420 1.00 11.24 H new ATOM 0 HA ALA A 37 20.820 -12.407 7.519 1.00 14.13 H new ATOM 0 HB1 ALA A 37 22.301 -10.945 6.183 1.00 2.24 H new ATOM 0 HB2 ALA A 37 22.907 -12.617 6.249 1.00 2.24 H new ATOM 0 HB3 ALA A 37 22.090 -12.024 4.783 1.00 2.24 H new ATOM 540 N GLY A 38 19.080 -11.796 4.817 1.00 24.51 N ATOM 541 CA GLY A 38 18.008 -10.972 4.292 1.00 35.23 C ATOM 542 C GLY A 38 16.690 -11.216 5.001 1.00 53.42 C ATOM 543 O GLY A 38 16.057 -10.279 5.489 1.00 74.14 O ATOM 0 H GLY A 38 19.335 -12.591 4.232 1.00 24.51 H new ATOM 0 HA2 GLY A 38 18.280 -9.921 4.389 1.00 35.23 H new ATOM 0 HA3 GLY A 38 17.887 -11.173 3.227 1.00 35.23 H new ATOM 547 N PHE A 39 16.274 -12.476 5.057 1.00 71.53 N ATOM 548 CA PHE A 39 15.021 -12.840 5.708 1.00 20.13 C ATOM 549 C PHE A 39 15.055 -12.481 7.191 1.00 21.41 C ATOM 550 O PHE A 39 14.085 -11.954 7.736 1.00 41.24 O ATOM 551 CB PHE A 39 14.750 -14.336 5.540 1.00 34.51 C ATOM 552 CG PHE A 39 13.938 -14.665 4.320 1.00 62.14 C ATOM 553 CD1 PHE A 39 12.645 -14.188 4.182 1.00 13.24 C ATOM 554 CD2 PHE A 39 14.469 -15.451 3.309 1.00 1.33 C ATOM 555 CE1 PHE A 39 11.896 -14.489 3.061 1.00 73.53 C ATOM 556 CE2 PHE A 39 13.725 -15.755 2.185 1.00 21.30 C ATOM 557 CZ PHE A 39 12.437 -15.273 2.060 1.00 30.02 C ATOM 0 H PHE A 39 16.786 -13.263 4.659 1.00 71.53 H new ATOM 0 HA PHE A 39 14.217 -12.277 5.234 1.00 20.13 H new ATOM 0 HB2 PHE A 39 15.701 -14.866 5.487 1.00 34.51 H new ATOM 0 HB3 PHE A 39 14.229 -14.704 6.424 1.00 34.51 H new ATOM 0 HD1 PHE A 39 12.217 -13.573 4.960 1.00 13.24 H new ATOM 0 HD2 PHE A 39 15.476 -15.830 3.401 1.00 1.33 H new ATOM 0 HE1 PHE A 39 10.888 -14.112 2.967 1.00 73.53 H new ATOM 0 HE2 PHE A 39 14.150 -16.369 1.405 1.00 21.30 H new ATOM 0 HZ PHE A 39 11.854 -15.508 1.182 1.00 30.02 H new ATOM 567 N ASP A 40 16.178 -12.772 7.838 1.00 23.21 N ATOM 568 CA ASP A 40 16.340 -12.481 9.258 1.00 43.43 C ATOM 569 C ASP A 40 16.008 -11.022 9.554 1.00 14.41 C ATOM 570 O ASP A 40 15.386 -10.710 10.571 1.00 53.44 O ATOM 571 CB ASP A 40 17.770 -12.791 9.704 1.00 32.51 C ATOM 572 CG ASP A 40 18.105 -12.172 11.047 1.00 74.12 C ATOM 573 OD1 ASP A 40 17.459 -12.544 12.049 1.00 65.42 O ATOM 574 OD2 ASP A 40 19.011 -11.314 11.095 1.00 23.44 O ATOM 0 H ASP A 40 16.990 -13.209 7.402 1.00 23.21 H new ATOM 0 HA ASP A 40 15.649 -13.113 9.815 1.00 43.43 H new ATOM 0 HB2 ASP A 40 17.903 -13.871 9.762 1.00 32.51 H new ATOM 0 HB3 ASP A 40 18.469 -12.423 8.953 1.00 32.51 H new ATOM 579 N LEU A 41 16.426 -10.132 8.661 1.00 3.43 N ATOM 580 CA LEU A 41 16.174 -8.704 8.827 1.00 32.42 C ATOM 581 C LEU A 41 14.804 -8.326 8.272 1.00 4.55 C ATOM 582 O LEU A 41 14.169 -7.385 8.749 1.00 64.14 O ATOM 583 CB LEU A 41 17.263 -7.889 8.128 1.00 22.04 C ATOM 584 CG LEU A 41 18.700 -8.173 8.567 1.00 20.52 C ATOM 585 CD1 LEU A 41 19.689 -7.520 7.614 1.00 14.11 C ATOM 586 CD2 LEU A 41 18.929 -7.688 9.991 1.00 32.12 C ATOM 0 H LEU A 41 16.941 -10.373 7.814 1.00 3.43 H new ATOM 0 HA LEU A 41 16.189 -8.478 9.893 1.00 32.42 H new ATOM 0 HB2 LEU A 41 17.190 -8.067 7.055 1.00 22.04 H new ATOM 0 HB3 LEU A 41 17.057 -6.831 8.290 1.00 22.04 H new ATOM 0 HG LEU A 41 18.860 -9.251 8.542 1.00 20.52 H new ATOM 0 HD11 LEU A 41 20.706 -7.733 7.943 1.00 14.11 H new ATOM 0 HD12 LEU A 41 19.542 -7.916 6.609 1.00 14.11 H new ATOM 0 HD13 LEU A 41 19.529 -6.442 7.606 1.00 14.11 H new ATOM 0 HD21 LEU A 41 19.957 -7.899 10.286 1.00 32.12 H new ATOM 0 HD22 LEU A 41 18.749 -6.614 10.043 1.00 32.12 H new ATOM 0 HD23 LEU A 41 18.245 -8.203 10.665 1.00 32.12 H new ATOM 598 N ALA A 42 14.355 -9.066 7.264 1.00 14.34 N ATOM 599 CA ALA A 42 13.059 -8.810 6.648 1.00 72.22 C ATOM 600 C ALA A 42 11.946 -8.806 7.690 1.00 0.24 C ATOM 601 O ALA A 42 10.896 -8.196 7.489 1.00 61.42 O ATOM 602 CB ALA A 42 12.773 -9.847 5.572 1.00 74.31 C ATOM 0 H ALA A 42 14.869 -9.847 6.857 1.00 14.34 H new ATOM 0 HA ALA A 42 13.092 -7.823 6.187 1.00 72.22 H new ATOM 0 HB1 ALA A 42 11.802 -9.644 5.120 1.00 74.31 H new ATOM 0 HB2 ALA A 42 13.547 -9.799 4.806 1.00 74.31 H new ATOM 0 HB3 ALA A 42 12.765 -10.841 6.018 1.00 74.31 H new ATOM 608 N ALA A 43 12.183 -9.490 8.805 1.00 71.22 N ATOM 609 CA ALA A 43 11.201 -9.564 9.879 1.00 12.24 C ATOM 610 C ALA A 43 11.294 -8.346 10.792 1.00 11.14 C ATOM 611 O ALA A 43 10.306 -7.938 11.405 1.00 60.43 O ATOM 612 CB ALA A 43 11.391 -10.843 10.681 1.00 12.23 C ATOM 0 H ALA A 43 13.047 -10.001 8.987 1.00 71.22 H new ATOM 0 HA ALA A 43 10.208 -9.574 9.430 1.00 12.24 H new ATOM 0 HB1 ALA A 43 10.651 -10.885 11.480 1.00 12.23 H new ATOM 0 HB2 ALA A 43 11.267 -11.705 10.026 1.00 12.23 H new ATOM 0 HB3 ALA A 43 12.392 -10.856 11.113 1.00 12.23 H new ATOM 618 N THR A 44 12.488 -7.768 10.881 1.00 52.24 N ATOM 619 CA THR A 44 12.710 -6.598 11.720 1.00 3.34 C ATOM 620 C THR A 44 12.422 -5.310 10.957 1.00 31.20 C ATOM 621 O THR A 44 12.048 -4.296 11.547 1.00 31.03 O ATOM 622 CB THR A 44 14.156 -6.554 12.251 1.00 13.31 C ATOM 623 OG1 THR A 44 14.168 -6.074 13.600 1.00 11.22 O ATOM 624 CG2 THR A 44 15.025 -5.658 11.381 1.00 55.00 C ATOM 0 H THR A 44 13.316 -8.092 10.382 1.00 52.24 H new ATOM 0 HA THR A 44 12.023 -6.679 12.562 1.00 3.34 H new ATOM 0 HB THR A 44 14.561 -7.565 12.222 1.00 13.31 H new ATOM 0 HG1 THR A 44 15.090 -6.051 13.931 1.00 11.22 H new ATOM 0 HG21 THR A 44 16.041 -5.643 11.775 1.00 55.00 H new ATOM 0 HG22 THR A 44 15.037 -6.042 10.361 1.00 55.00 H new ATOM 0 HG23 THR A 44 14.620 -4.646 11.382 1.00 55.00 H new ATOM 632 N THR A 45 12.597 -5.356 9.640 1.00 61.50 N ATOM 633 CA THR A 45 12.356 -4.193 8.795 1.00 30.45 C ATOM 634 C THR A 45 10.997 -4.283 8.111 1.00 60.32 C ATOM 635 O THR A 45 10.311 -3.276 7.936 1.00 25.44 O ATOM 636 CB THR A 45 13.450 -4.042 7.722 1.00 61.21 C ATOM 637 OG1 THR A 45 14.651 -3.535 8.314 1.00 10.22 O ATOM 638 CG2 THR A 45 12.993 -3.109 6.611 1.00 11.31 C ATOM 0 H THR A 45 12.905 -6.187 9.135 1.00 61.50 H new ATOM 0 HA THR A 45 12.374 -3.319 9.447 1.00 30.45 H new ATOM 0 HB THR A 45 13.645 -5.025 7.293 1.00 61.21 H new ATOM 0 HG1 THR A 45 15.342 -3.444 7.625 1.00 10.22 H new ATOM 0 HG21 THR A 45 13.782 -3.018 5.865 1.00 11.31 H new ATOM 0 HG22 THR A 45 12.096 -3.513 6.143 1.00 11.31 H new ATOM 0 HG23 THR A 45 12.773 -2.126 7.028 1.00 11.31 H new ATOM 646 N ALA A 46 10.613 -5.496 7.725 1.00 0.21 N ATOM 647 CA ALA A 46 9.334 -5.717 7.062 1.00 61.13 C ATOM 648 C ALA A 46 9.294 -5.027 5.702 1.00 22.42 C ATOM 649 O ALA A 46 8.777 -3.918 5.573 1.00 14.32 O ATOM 650 CB ALA A 46 8.192 -5.225 7.939 1.00 65.10 C ATOM 0 H ALA A 46 11.170 -6.340 7.860 1.00 0.21 H new ATOM 0 HA ALA A 46 9.217 -6.789 6.900 1.00 61.13 H new ATOM 0 HB1 ALA A 46 7.243 -5.397 7.431 1.00 65.10 H new ATOM 0 HB2 ALA A 46 8.200 -5.767 8.885 1.00 65.10 H new ATOM 0 HB3 ALA A 46 8.313 -4.159 8.130 1.00 65.10 H new ATOM 656 N TYR A 47 9.844 -5.691 4.691 1.00 2.24 N ATOM 657 CA TYR A 47 9.874 -5.140 3.342 1.00 42.32 C ATOM 658 C TYR A 47 8.578 -5.448 2.598 1.00 21.44 C ATOM 659 O TYR A 47 7.691 -6.118 3.127 1.00 74.31 O ATOM 660 CB TYR A 47 11.067 -5.701 2.565 1.00 34.25 C ATOM 661 CG TYR A 47 12.406 -5.280 3.126 1.00 43.14 C ATOM 662 CD1 TYR A 47 12.915 -5.867 4.278 1.00 40.12 C ATOM 663 CD2 TYR A 47 13.163 -4.295 2.504 1.00 50.34 C ATOM 664 CE1 TYR A 47 14.138 -5.485 4.794 1.00 43.12 C ATOM 665 CE2 TYR A 47 14.388 -3.907 3.012 1.00 72.44 C ATOM 666 CZ TYR A 47 14.871 -4.505 4.157 1.00 61.22 C ATOM 667 OH TYR A 47 16.090 -4.121 4.667 1.00 62.22 O ATOM 0 H TYR A 47 10.275 -6.611 4.781 1.00 2.24 H new ATOM 0 HA TYR A 47 9.977 -4.058 3.422 1.00 42.32 H new ATOM 0 HB2 TYR A 47 11.009 -6.789 2.563 1.00 34.25 H new ATOM 0 HB3 TYR A 47 10.999 -5.376 1.527 1.00 34.25 H new ATOM 0 HD1 TYR A 47 12.344 -6.635 4.779 1.00 40.12 H new ATOM 0 HD2 TYR A 47 12.787 -3.824 1.608 1.00 50.34 H new ATOM 0 HE1 TYR A 47 14.518 -5.951 5.691 1.00 43.12 H new ATOM 0 HE2 TYR A 47 14.964 -3.140 2.515 1.00 72.44 H new ATOM 0 HH TYR A 47 16.477 -3.422 4.099 1.00 62.22 H new ATOM 677 N ASP A 48 8.477 -4.955 1.369 1.00 24.40 N ATOM 678 CA ASP A 48 7.291 -5.179 0.550 1.00 4.04 C ATOM 679 C ASP A 48 7.479 -6.389 -0.359 1.00 61.31 C ATOM 680 O ASP A 48 6.529 -7.120 -0.642 1.00 53.13 O ATOM 681 CB ASP A 48 6.983 -3.938 -0.289 1.00 3.13 C ATOM 682 CG ASP A 48 6.285 -2.856 0.512 1.00 25.22 C ATOM 683 OD1 ASP A 48 5.110 -2.561 0.212 1.00 15.33 O ATOM 684 OD2 ASP A 48 6.915 -2.306 1.439 1.00 11.25 O ATOM 0 H ASP A 48 9.202 -4.397 0.917 1.00 24.40 H new ATOM 0 HA ASP A 48 6.451 -5.375 1.216 1.00 4.04 H new ATOM 0 HB2 ASP A 48 7.911 -3.541 -0.699 1.00 3.13 H new ATOM 0 HB3 ASP A 48 6.356 -4.221 -1.135 1.00 3.13 H new ATOM 689 N LEU A 49 8.710 -6.595 -0.815 1.00 32.24 N ATOM 690 CA LEU A 49 9.023 -7.717 -1.694 1.00 13.35 C ATOM 691 C LEU A 49 10.414 -8.268 -1.399 1.00 2.31 C ATOM 692 O LEU A 49 11.404 -7.536 -1.437 1.00 32.44 O ATOM 693 CB LEU A 49 8.933 -7.283 -3.158 1.00 31.22 C ATOM 694 CG LEU A 49 8.384 -8.325 -4.134 1.00 11.34 C ATOM 695 CD1 LEU A 49 8.335 -7.760 -5.545 1.00 24.40 C ATOM 696 CD2 LEU A 49 9.227 -9.591 -4.092 1.00 51.12 C ATOM 0 H LEU A 49 9.508 -6.000 -0.591 1.00 32.24 H new ATOM 0 HA LEU A 49 8.294 -8.506 -1.510 1.00 13.35 H new ATOM 0 HB2 LEU A 49 8.304 -6.394 -3.215 1.00 31.22 H new ATOM 0 HB3 LEU A 49 9.929 -6.991 -3.492 1.00 31.22 H new ATOM 0 HG LEU A 49 7.368 -8.580 -3.832 1.00 11.34 H new ATOM 0 HD11 LEU A 49 7.942 -8.515 -6.226 1.00 24.40 H new ATOM 0 HD12 LEU A 49 7.688 -6.883 -5.563 1.00 24.40 H new ATOM 0 HD13 LEU A 49 9.340 -7.477 -5.859 1.00 24.40 H new ATOM 0 HD21 LEU A 49 8.822 -10.321 -4.793 1.00 51.12 H new ATOM 0 HD22 LEU A 49 10.254 -9.354 -4.369 1.00 51.12 H new ATOM 0 HD23 LEU A 49 9.210 -10.006 -3.084 1.00 51.12 H new ATOM 708 N VAL A 50 10.483 -9.563 -1.107 1.00 52.15 N ATOM 709 CA VAL A 50 11.753 -10.213 -0.810 1.00 23.32 C ATOM 710 C VAL A 50 12.046 -11.330 -1.806 1.00 13.22 C ATOM 711 O VAL A 50 11.143 -12.055 -2.225 1.00 33.21 O ATOM 712 CB VAL A 50 11.765 -10.796 0.616 1.00 41.11 C ATOM 713 CG1 VAL A 50 13.094 -11.478 0.903 1.00 10.02 C ATOM 714 CG2 VAL A 50 11.484 -9.706 1.639 1.00 53.21 C ATOM 0 H VAL A 50 9.674 -10.183 -1.070 1.00 52.15 H new ATOM 0 HA VAL A 50 12.526 -9.448 -0.889 1.00 23.32 H new ATOM 0 HB VAL A 50 10.976 -11.545 0.691 1.00 41.11 H new ATOM 0 HG11 VAL A 50 13.084 -11.884 1.915 1.00 10.02 H new ATOM 0 HG12 VAL A 50 13.249 -12.287 0.189 1.00 10.02 H new ATOM 0 HG13 VAL A 50 13.902 -10.753 0.811 1.00 10.02 H new ATOM 0 HG21 VAL A 50 11.496 -10.135 2.641 1.00 53.21 H new ATOM 0 HG22 VAL A 50 12.249 -8.933 1.566 1.00 53.21 H new ATOM 0 HG23 VAL A 50 10.505 -9.268 1.444 1.00 53.21 H new ATOM 724 N LEU A 51 13.313 -11.463 -2.181 1.00 71.12 N ATOM 725 CA LEU A 51 13.726 -12.493 -3.129 1.00 0.34 C ATOM 726 C LEU A 51 14.918 -13.279 -2.593 1.00 2.01 C ATOM 727 O LEU A 51 15.907 -12.699 -2.143 1.00 21.24 O ATOM 728 CB LEU A 51 14.081 -11.861 -4.476 1.00 30.12 C ATOM 729 CG LEU A 51 13.163 -10.734 -4.951 1.00 64.13 C ATOM 730 CD1 LEU A 51 13.799 -9.981 -6.109 1.00 43.32 C ATOM 731 CD2 LEU A 51 11.804 -11.287 -5.355 1.00 23.23 C ATOM 0 H LEU A 51 14.072 -10.871 -1.844 1.00 71.12 H new ATOM 0 HA LEU A 51 12.892 -13.182 -3.266 1.00 0.34 H new ATOM 0 HB2 LEU A 51 15.098 -11.473 -4.416 1.00 30.12 H new ATOM 0 HB3 LEU A 51 14.083 -12.645 -5.233 1.00 30.12 H new ATOM 0 HG LEU A 51 13.018 -10.037 -4.126 1.00 64.13 H new ATOM 0 HD11 LEU A 51 13.132 -9.183 -6.434 1.00 43.32 H new ATOM 0 HD12 LEU A 51 14.748 -9.552 -5.787 1.00 43.32 H new ATOM 0 HD13 LEU A 51 13.974 -10.668 -6.937 1.00 43.32 H new ATOM 0 HD21 LEU A 51 11.164 -10.471 -5.690 1.00 23.23 H new ATOM 0 HD22 LEU A 51 11.930 -12.006 -6.165 1.00 23.23 H new ATOM 0 HD23 LEU A 51 11.343 -11.781 -4.500 1.00 23.23 H new ATOM 743 N THR A 52 14.819 -14.604 -2.646 1.00 43.32 N ATOM 744 CA THR A 52 15.889 -15.470 -2.168 1.00 1.13 C ATOM 745 C THR A 52 16.238 -16.535 -3.201 1.00 33.32 C ATOM 746 O THR A 52 15.463 -16.799 -4.120 1.00 52.34 O ATOM 747 CB THR A 52 15.504 -16.160 -0.845 1.00 43.23 C ATOM 748 OG1 THR A 52 16.640 -16.839 -0.298 1.00 61.05 O ATOM 749 CG2 THR A 52 14.370 -17.151 -1.062 1.00 4.52 C ATOM 0 H THR A 52 14.008 -15.100 -3.015 1.00 43.32 H new ATOM 0 HA THR A 52 16.758 -14.834 -1.999 1.00 1.13 H new ATOM 0 HB THR A 52 15.168 -15.395 -0.146 1.00 43.23 H new ATOM 0 HG1 THR A 52 16.550 -17.803 -0.450 1.00 61.05 H new ATOM 0 HG21 THR A 52 14.115 -17.626 -0.114 1.00 4.52 H new ATOM 0 HG22 THR A 52 13.497 -16.626 -1.451 1.00 4.52 H new ATOM 0 HG23 THR A 52 14.684 -17.912 -1.776 1.00 4.52 H new ATOM 757 N ASP A 53 17.407 -17.145 -3.043 1.00 61.31 N ATOM 758 CA ASP A 53 17.858 -18.184 -3.962 1.00 34.31 C ATOM 759 C ASP A 53 18.101 -19.496 -3.222 1.00 5.22 C ATOM 760 O ASP A 53 17.363 -20.464 -3.397 1.00 72.32 O ATOM 761 CB ASP A 53 19.135 -17.743 -4.678 1.00 22.03 C ATOM 762 CG ASP A 53 19.475 -18.633 -5.857 1.00 53.23 C ATOM 763 OD1 ASP A 53 18.929 -19.753 -5.931 1.00 74.23 O ATOM 764 OD2 ASP A 53 20.287 -18.209 -6.706 1.00 62.01 O ATOM 0 H ASP A 53 18.060 -16.938 -2.287 1.00 61.31 H new ATOM 0 HA ASP A 53 17.074 -18.345 -4.702 1.00 34.31 H new ATOM 0 HB2 ASP A 53 19.018 -16.716 -5.024 1.00 22.03 H new ATOM 0 HB3 ASP A 53 19.965 -17.749 -3.971 1.00 22.03 H new ATOM 895 N LEU A 62 16.618 -19.935 5.707 1.00 22.40 N ATOM 896 CA LEU A 62 15.369 -19.781 4.970 1.00 14.43 C ATOM 897 C LEU A 62 14.182 -20.249 5.807 1.00 51.35 C ATOM 898 O LEU A 62 13.070 -19.744 5.659 1.00 14.42 O ATOM 899 CB LEU A 62 15.426 -20.567 3.660 1.00 74.53 C ATOM 900 CG LEU A 62 14.954 -19.824 2.409 1.00 21.15 C ATOM 901 CD1 LEU A 62 15.745 -18.539 2.223 1.00 42.24 C ATOM 902 CD2 LEU A 62 15.080 -20.713 1.181 1.00 31.30 C ATOM 0 HA LEU A 62 15.237 -18.723 4.745 1.00 14.43 H new ATOM 0 HB2 LEU A 62 16.454 -20.892 3.499 1.00 74.53 H new ATOM 0 HB3 LEU A 62 14.822 -21.467 3.773 1.00 74.53 H new ATOM 0 HG LEU A 62 13.903 -19.565 2.538 1.00 21.15 H new ATOM 0 HD11 LEU A 62 15.396 -18.023 1.328 1.00 42.24 H new ATOM 0 HD12 LEU A 62 15.603 -17.896 3.091 1.00 42.24 H new ATOM 0 HD13 LEU A 62 16.804 -18.776 2.116 1.00 42.24 H new ATOM 0 HD21 LEU A 62 14.740 -20.168 0.301 1.00 31.30 H new ATOM 0 HD22 LEU A 62 16.122 -21.004 1.048 1.00 31.30 H new ATOM 0 HD23 LEU A 62 14.469 -21.606 1.314 1.00 31.30 H new ATOM 914 N GLU A 63 14.428 -21.215 6.685 1.00 22.24 N ATOM 915 CA GLU A 63 13.379 -21.750 7.546 1.00 44.30 C ATOM 916 C GLU A 63 12.636 -20.625 8.261 1.00 44.31 C ATOM 917 O GLU A 63 11.454 -20.752 8.583 1.00 62.34 O ATOM 918 CB GLU A 63 13.974 -22.716 8.573 1.00 43.14 C ATOM 919 CG GLU A 63 14.177 -24.124 8.038 1.00 54.44 C ATOM 920 CD GLU A 63 12.899 -24.729 7.490 1.00 53.44 C ATOM 921 OE1 GLU A 63 12.770 -24.823 6.251 1.00 31.22 O ATOM 922 OE2 GLU A 63 12.027 -25.108 8.300 1.00 4.21 O ATOM 0 H GLU A 63 15.344 -21.644 6.819 1.00 22.24 H new ATOM 0 HA GLU A 63 12.670 -22.290 6.919 1.00 44.30 H new ATOM 0 HB2 GLU A 63 14.932 -22.325 8.915 1.00 43.14 H new ATOM 0 HB3 GLU A 63 13.318 -22.758 9.443 1.00 43.14 H new ATOM 0 HG2 GLU A 63 14.932 -24.105 7.252 1.00 54.44 H new ATOM 0 HG3 GLU A 63 14.563 -24.760 8.835 1.00 54.44 H new ATOM 929 N LEU A 64 13.338 -19.524 8.507 1.00 13.31 N ATOM 930 CA LEU A 64 12.746 -18.375 9.185 1.00 70.23 C ATOM 931 C LEU A 64 11.409 -18.000 8.554 1.00 70.14 C ATOM 932 O LEU A 64 10.495 -17.541 9.239 1.00 0.13 O ATOM 933 CB LEU A 64 13.700 -17.181 9.133 1.00 1.34 C ATOM 934 CG LEU A 64 14.595 -16.984 10.357 1.00 3.34 C ATOM 935 CD1 LEU A 64 15.422 -18.233 10.621 1.00 41.35 C ATOM 936 CD2 LEU A 64 15.499 -15.774 10.168 1.00 13.12 C ATOM 0 H LEU A 64 14.317 -19.402 8.248 1.00 13.31 H new ATOM 0 HA LEU A 64 12.572 -18.648 10.226 1.00 70.23 H new ATOM 0 HB2 LEU A 64 14.337 -17.288 8.255 1.00 1.34 H new ATOM 0 HB3 LEU A 64 13.110 -16.276 8.990 1.00 1.34 H new ATOM 0 HG LEU A 64 13.958 -16.805 11.223 1.00 3.34 H new ATOM 0 HD11 LEU A 64 16.053 -18.074 11.496 1.00 41.35 H new ATOM 0 HD12 LEU A 64 14.757 -19.078 10.802 1.00 41.35 H new ATOM 0 HD13 LEU A 64 16.049 -18.444 9.755 1.00 41.35 H new ATOM 0 HD21 LEU A 64 16.129 -15.649 11.049 1.00 13.12 H new ATOM 0 HD22 LEU A 64 16.128 -15.923 9.290 1.00 13.12 H new ATOM 0 HD23 LEU A 64 14.888 -14.882 10.029 1.00 13.12 H new ATOM 948 N ILE A 65 11.302 -18.201 7.245 1.00 54.35 N ATOM 949 CA ILE A 65 10.075 -17.887 6.522 1.00 1.52 C ATOM 950 C ILE A 65 8.859 -18.495 7.213 1.00 42.41 C ATOM 951 O ILE A 65 7.807 -17.863 7.310 1.00 64.23 O ATOM 952 CB ILE A 65 10.132 -18.393 5.069 1.00 44.22 C ATOM 953 CG1 ILE A 65 11.293 -17.734 4.321 1.00 4.44 C ATOM 954 CG2 ILE A 65 8.815 -18.118 4.360 1.00 53.22 C ATOM 955 CD1 ILE A 65 11.634 -18.414 3.014 1.00 3.30 C ATOM 0 H ILE A 65 12.049 -18.580 6.663 1.00 54.35 H new ATOM 0 HA ILE A 65 9.982 -16.801 6.516 1.00 1.52 H new ATOM 0 HB ILE A 65 10.297 -19.470 5.082 1.00 44.22 H new ATOM 0 HG12 ILE A 65 11.043 -16.692 4.124 1.00 4.44 H new ATOM 0 HG13 ILE A 65 12.174 -17.735 4.962 1.00 4.44 H new ATOM 0 HG21 ILE A 65 8.871 -18.482 3.334 1.00 53.22 H new ATOM 0 HG22 ILE A 65 8.007 -18.630 4.882 1.00 53.22 H new ATOM 0 HG23 ILE A 65 8.622 -17.045 4.355 1.00 53.22 H new ATOM 0 HD11 ILE A 65 12.465 -17.893 2.539 1.00 3.30 H new ATOM 0 HD12 ILE A 65 11.916 -19.449 3.205 1.00 3.30 H new ATOM 0 HD13 ILE A 65 10.767 -18.390 2.354 1.00 3.30 H new ATOM 967 N ALA A 66 9.012 -19.724 7.693 1.00 32.33 N ATOM 968 CA ALA A 66 7.928 -20.417 8.379 1.00 53.41 C ATOM 969 C ALA A 66 7.398 -19.589 9.545 1.00 43.31 C ATOM 970 O ALA A 66 6.202 -19.601 9.835 1.00 44.14 O ATOM 971 CB ALA A 66 8.397 -21.779 8.867 1.00 72.33 C ATOM 0 H ALA A 66 9.876 -20.261 7.620 1.00 32.33 H new ATOM 0 HA ALA A 66 7.114 -20.559 7.668 1.00 53.41 H new ATOM 0 HB1 ALA A 66 7.577 -22.285 9.377 1.00 72.33 H new ATOM 0 HB2 ALA A 66 8.720 -22.379 8.016 1.00 72.33 H new ATOM 0 HB3 ALA A 66 9.230 -21.651 9.558 1.00 72.33 H new ATOM 977 N ALA A 67 8.297 -18.871 10.211 1.00 52.21 N ATOM 978 CA ALA A 67 7.919 -18.036 11.345 1.00 64.03 C ATOM 979 C ALA A 67 7.056 -16.861 10.898 1.00 32.30 C ATOM 980 O ALA A 67 6.173 -16.413 11.630 1.00 12.24 O ATOM 981 CB ALA A 67 9.161 -17.536 12.068 1.00 11.22 C ATOM 0 H ALA A 67 9.291 -18.851 9.985 1.00 52.21 H new ATOM 0 HA ALA A 67 7.331 -18.644 12.033 1.00 64.03 H new ATOM 0 HB1 ALA A 67 8.865 -16.914 12.912 1.00 11.22 H new ATOM 0 HB2 ALA A 67 9.739 -18.387 12.429 1.00 11.22 H new ATOM 0 HB3 ALA A 67 9.770 -16.949 11.381 1.00 11.22 H new ATOM 987 N LEU A 68 7.316 -16.366 9.693 1.00 21.31 N ATOM 988 CA LEU A 68 6.562 -15.242 9.149 1.00 64.14 C ATOM 989 C LEU A 68 5.248 -15.714 8.536 1.00 15.31 C ATOM 990 O LEU A 68 4.240 -15.008 8.585 1.00 1.22 O ATOM 991 CB LEU A 68 7.394 -14.507 8.096 1.00 61.10 C ATOM 992 CG LEU A 68 8.888 -14.376 8.393 1.00 64.03 C ATOM 993 CD1 LEU A 68 9.641 -13.924 7.151 1.00 25.31 C ATOM 994 CD2 LEU A 68 9.121 -13.406 9.542 1.00 32.10 C ATOM 0 H LEU A 68 8.043 -16.725 9.074 1.00 21.31 H new ATOM 0 HA LEU A 68 6.335 -14.558 9.967 1.00 64.14 H new ATOM 0 HB2 LEU A 68 7.277 -15.024 7.144 1.00 61.10 H new ATOM 0 HB3 LEU A 68 6.980 -13.507 7.968 1.00 61.10 H new ATOM 0 HG LEU A 68 9.267 -15.354 8.688 1.00 64.03 H new ATOM 0 HD11 LEU A 68 10.703 -13.836 7.381 1.00 25.31 H new ATOM 0 HD12 LEU A 68 9.502 -14.655 6.355 1.00 25.31 H new ATOM 0 HD13 LEU A 68 9.259 -12.956 6.826 1.00 25.31 H new ATOM 0 HD21 LEU A 68 10.190 -13.326 9.739 1.00 32.10 H new ATOM 0 HD22 LEU A 68 8.726 -12.425 9.276 1.00 32.10 H new ATOM 0 HD23 LEU A 68 8.614 -13.771 10.435 1.00 32.10 H new ATOM 1006 N ARG A 69 5.265 -16.912 7.961 1.00 15.23 N ATOM 1007 CA ARG A 69 4.073 -17.478 7.340 1.00 24.22 C ATOM 1008 C ARG A 69 2.898 -17.474 8.314 1.00 43.24 C ATOM 1009 O ARG A 69 1.796 -17.048 7.968 1.00 24.43 O ATOM 1010 CB ARG A 69 4.350 -18.906 6.864 1.00 10.45 C ATOM 1011 CG ARG A 69 3.235 -19.491 6.013 1.00 10.32 C ATOM 1012 CD ARG A 69 2.148 -20.116 6.873 1.00 75.13 C ATOM 1013 NE ARG A 69 1.329 -21.061 6.118 1.00 61.31 N ATOM 1014 CZ ARG A 69 0.332 -21.759 6.650 1.00 11.35 C ATOM 1015 NH1 ARG A 69 0.031 -21.617 7.934 1.00 60.20 N ATOM 1016 NH2 ARG A 69 -0.367 -22.599 5.899 1.00 71.44 N ATOM 0 H ARG A 69 6.090 -17.509 7.912 1.00 15.23 H new ATOM 0 HA ARG A 69 3.812 -16.859 6.481 1.00 24.22 H new ATOM 0 HB2 ARG A 69 5.277 -18.915 6.290 1.00 10.45 H new ATOM 0 HB3 ARG A 69 4.506 -19.546 7.733 1.00 10.45 H new ATOM 0 HG2 ARG A 69 2.802 -18.708 5.390 1.00 10.32 H new ATOM 0 HG3 ARG A 69 3.646 -20.244 5.340 1.00 10.32 H new ATOM 0 HD2 ARG A 69 2.605 -20.628 7.720 1.00 75.13 H new ATOM 0 HD3 ARG A 69 1.512 -19.330 7.281 1.00 75.13 H new ATOM 0 HE ARG A 69 1.534 -21.192 5.127 1.00 61.31 H new ATOM 0 HH11 ARG A 69 0.566 -20.971 8.515 1.00 60.20 H new ATOM 0 HH12 ARG A 69 -0.735 -22.154 8.341 1.00 60.20 H new ATOM 0 HH21 ARG A 69 -0.139 -22.710 4.911 1.00 71.44 H new ATOM 0 HH22 ARG A 69 -1.132 -23.134 6.309 1.00 71.44 H new ATOM 1030 N GLN A 70 3.142 -17.950 9.530 1.00 24.41 N ATOM 1031 CA GLN A 70 2.104 -18.002 10.552 1.00 30.23 C ATOM 1032 C GLN A 70 1.594 -16.603 10.882 1.00 24.10 C ATOM 1033 O GLN A 70 0.411 -16.413 11.165 1.00 52.41 O ATOM 1034 CB GLN A 70 2.638 -18.675 11.818 1.00 11.21 C ATOM 1035 CG GLN A 70 3.899 -18.026 12.366 1.00 15.24 C ATOM 1036 CD GLN A 70 4.316 -18.601 13.706 1.00 52.24 C ATOM 1037 OE1 GLN A 70 3.850 -18.159 14.756 1.00 2.33 O ATOM 1038 NE2 GLN A 70 5.198 -19.593 13.675 1.00 2.43 N ATOM 0 H GLN A 70 4.049 -18.305 9.832 1.00 24.41 H new ATOM 0 HA GLN A 70 1.273 -18.589 10.160 1.00 30.23 H new ATOM 0 HB2 GLN A 70 1.864 -18.652 12.586 1.00 11.21 H new ATOM 0 HB3 GLN A 70 2.843 -19.724 11.603 1.00 11.21 H new ATOM 0 HG2 GLN A 70 4.711 -18.157 11.650 1.00 15.24 H new ATOM 0 HG3 GLN A 70 3.735 -16.953 12.470 1.00 15.24 H new ATOM 0 HE21 GLN A 70 5.558 -19.928 12.781 1.00 2.43 H new ATOM 0 HE22 GLN A 70 5.516 -20.020 14.545 1.00 2.43 H new ATOM 1047 N LEU A 71 2.495 -15.627 10.844 1.00 14.13 N ATOM 1048 CA LEU A 71 2.136 -14.244 11.140 1.00 44.15 C ATOM 1049 C LEU A 71 1.300 -13.646 10.013 1.00 44.43 C ATOM 1050 O LEU A 71 1.461 -14.008 8.847 1.00 3.43 O ATOM 1051 CB LEU A 71 3.397 -13.405 11.355 1.00 1.15 C ATOM 1052 CG LEU A 71 3.872 -13.267 12.802 1.00 21.34 C ATOM 1053 CD1 LEU A 71 5.360 -13.564 12.906 1.00 30.32 C ATOM 1054 CD2 LEU A 71 3.566 -11.875 13.334 1.00 11.21 C ATOM 0 H LEU A 71 3.478 -15.767 10.611 1.00 14.13 H new ATOM 0 HA LEU A 71 1.541 -14.236 12.053 1.00 44.15 H new ATOM 0 HB2 LEU A 71 4.205 -13.843 10.769 1.00 1.15 H new ATOM 0 HB3 LEU A 71 3.218 -12.407 10.956 1.00 1.15 H new ATOM 0 HG LEU A 71 3.334 -13.993 13.411 1.00 21.34 H new ATOM 0 HD11 LEU A 71 5.680 -13.461 13.943 1.00 30.32 H new ATOM 0 HD12 LEU A 71 5.552 -14.582 12.566 1.00 30.32 H new ATOM 0 HD13 LEU A 71 5.915 -12.863 12.283 1.00 30.32 H new ATOM 0 HD21 LEU A 71 3.911 -11.795 14.365 1.00 11.21 H new ATOM 0 HD22 LEU A 71 4.076 -11.131 12.722 1.00 11.21 H new ATOM 0 HD23 LEU A 71 2.491 -11.699 13.297 1.00 11.21 H new ATOM 1066 N SER A 72 0.409 -12.726 10.368 1.00 34.34 N ATOM 1067 CA SER A 72 -0.454 -12.078 9.387 1.00 30.44 C ATOM 1068 C SER A 72 0.142 -10.750 8.933 1.00 44.31 C ATOM 1069 O SER A 72 -0.580 -9.787 8.680 1.00 55.44 O ATOM 1070 CB SER A 72 -1.848 -11.850 9.975 1.00 72.23 C ATOM 1071 OG SER A 72 -1.769 -11.270 11.265 1.00 33.22 O ATOM 0 H SER A 72 0.266 -12.412 11.328 1.00 34.34 H new ATOM 0 HA SER A 72 -0.536 -12.735 8.521 1.00 30.44 H new ATOM 0 HB2 SER A 72 -2.422 -11.200 9.315 1.00 72.23 H new ATOM 0 HB3 SER A 72 -2.382 -12.799 10.032 1.00 72.23 H new ATOM 0 HG SER A 72 -2.673 -11.133 11.618 1.00 33.22 H new ATOM 1077 N ALA A 73 1.467 -10.707 8.832 1.00 11.53 N ATOM 1078 CA ALA A 73 2.162 -9.498 8.407 1.00 53.12 C ATOM 1079 C ALA A 73 2.999 -9.756 7.158 1.00 35.45 C ATOM 1080 O ALA A 73 3.171 -8.871 6.320 1.00 11.15 O ATOM 1081 CB ALA A 73 3.039 -8.969 9.532 1.00 34.32 C ATOM 0 H ALA A 73 2.080 -11.495 9.039 1.00 11.53 H new ATOM 0 HA ALA A 73 1.412 -8.746 8.162 1.00 53.12 H new ATOM 0 HB1 ALA A 73 3.552 -8.066 9.200 1.00 34.32 H new ATOM 0 HB2 ALA A 73 2.419 -8.737 10.398 1.00 34.32 H new ATOM 0 HB3 ALA A 73 3.775 -9.725 9.805 1.00 34.32 H new ATOM 1087 N TYR A 74 3.517 -10.974 7.041 1.00 12.22 N ATOM 1088 CA TYR A 74 4.339 -11.348 5.896 1.00 14.52 C ATOM 1089 C TYR A 74 3.637 -12.399 5.042 1.00 21.32 C ATOM 1090 O TYR A 74 3.869 -12.492 3.837 1.00 24.44 O ATOM 1091 CB TYR A 74 5.694 -11.878 6.366 1.00 3.52 C ATOM 1092 CG TYR A 74 6.315 -11.056 7.473 1.00 10.33 C ATOM 1093 CD1 TYR A 74 5.939 -11.241 8.798 1.00 54.13 C ATOM 1094 CD2 TYR A 74 7.279 -10.094 7.195 1.00 71.45 C ATOM 1095 CE1 TYR A 74 6.502 -10.492 9.812 1.00 5.30 C ATOM 1096 CE2 TYR A 74 7.849 -9.342 8.203 1.00 43.53 C ATOM 1097 CZ TYR A 74 7.457 -9.544 9.510 1.00 45.54 C ATOM 1098 OH TYR A 74 8.023 -8.796 10.517 1.00 33.14 O ATOM 0 H TYR A 74 3.382 -11.719 7.725 1.00 12.22 H new ATOM 0 HA TYR A 74 4.496 -10.458 5.287 1.00 14.52 H new ATOM 0 HB2 TYR A 74 5.573 -12.905 6.711 1.00 3.52 H new ATOM 0 HB3 TYR A 74 6.378 -11.905 5.518 1.00 3.52 H new ATOM 0 HD1 TYR A 74 5.193 -11.984 9.039 1.00 54.13 H new ATOM 0 HD2 TYR A 74 7.588 -9.932 6.173 1.00 71.45 H new ATOM 0 HE1 TYR A 74 6.196 -10.648 10.836 1.00 5.30 H new ATOM 0 HE2 TYR A 74 8.598 -8.600 7.969 1.00 43.53 H new ATOM 0 HH TYR A 74 8.765 -8.268 10.155 1.00 33.14 H new ATOM 1108 N ALA A 75 2.777 -13.189 5.676 1.00 32.25 N ATOM 1109 CA ALA A 75 2.039 -14.233 4.976 1.00 14.21 C ATOM 1110 C ALA A 75 1.410 -13.695 3.695 1.00 62.21 C ATOM 1111 O ALA A 75 1.332 -14.399 2.688 1.00 42.13 O ATOM 1112 CB ALA A 75 0.969 -14.823 5.884 1.00 43.44 C ATOM 0 H ALA A 75 2.574 -13.126 6.674 1.00 32.25 H new ATOM 0 HA ALA A 75 2.742 -15.020 4.703 1.00 14.21 H new ATOM 0 HB1 ALA A 75 0.426 -15.601 5.348 1.00 43.44 H new ATOM 0 HB2 ALA A 75 1.439 -15.252 6.769 1.00 43.44 H new ATOM 0 HB3 ALA A 75 0.275 -14.039 6.186 1.00 43.44 H new ATOM 1118 N ASP A 76 0.963 -12.445 3.740 1.00 31.23 N ATOM 1119 CA ASP A 76 0.341 -11.813 2.583 1.00 42.05 C ATOM 1120 C ASP A 76 1.398 -11.236 1.646 1.00 51.02 C ATOM 1121 O ASP A 76 1.226 -11.230 0.426 1.00 0.53 O ATOM 1122 CB ASP A 76 -0.618 -10.709 3.031 1.00 20.31 C ATOM 1123 CG ASP A 76 -1.929 -11.260 3.556 1.00 32.02 C ATOM 1124 OD1 ASP A 76 -2.862 -10.460 3.777 1.00 73.15 O ATOM 1125 OD2 ASP A 76 -2.022 -12.491 3.748 1.00 51.24 O ATOM 0 H ASP A 76 1.020 -11.849 4.566 1.00 31.23 H new ATOM 0 HA ASP A 76 -0.222 -12.575 2.043 1.00 42.05 H new ATOM 0 HB2 ASP A 76 -0.142 -10.111 3.808 1.00 20.31 H new ATOM 0 HB3 ASP A 76 -0.817 -10.042 2.192 1.00 20.31 H new ATOM 1130 N THR A 77 2.492 -10.750 2.224 1.00 63.33 N ATOM 1131 CA THR A 77 3.576 -10.169 1.442 1.00 51.04 C ATOM 1132 C THR A 77 4.022 -11.114 0.332 1.00 32.40 C ATOM 1133 O THR A 77 4.223 -12.310 0.546 1.00 74.22 O ATOM 1134 CB THR A 77 4.789 -9.828 2.328 1.00 35.01 C ATOM 1135 OG1 THR A 77 4.402 -8.907 3.354 1.00 33.54 O ATOM 1136 CG2 THR A 77 5.913 -9.227 1.499 1.00 64.33 C ATOM 0 H THR A 77 2.651 -10.747 3.232 1.00 63.33 H new ATOM 0 HA THR A 77 3.189 -9.251 1.000 1.00 51.04 H new ATOM 0 HB THR A 77 5.149 -10.750 2.784 1.00 35.01 H new ATOM 0 HG1 THR A 77 5.178 -8.696 3.914 1.00 33.54 H new ATOM 0 HG21 THR A 77 6.758 -8.994 2.147 1.00 64.33 H new ATOM 0 HG22 THR A 77 6.225 -9.941 0.737 1.00 64.33 H new ATOM 0 HG23 THR A 77 5.562 -8.314 1.018 1.00 64.33 H new ATOM 1144 N PRO A 78 4.182 -10.569 -0.883 1.00 12.32 N ATOM 1145 CA PRO A 78 4.607 -11.347 -2.050 1.00 42.42 C ATOM 1146 C PRO A 78 6.062 -11.792 -1.951 1.00 21.20 C ATOM 1147 O PRO A 78 6.971 -10.964 -1.875 1.00 34.41 O ATOM 1148 CB PRO A 78 4.426 -10.368 -3.213 1.00 73.45 C ATOM 1149 CG PRO A 78 4.534 -9.018 -2.594 1.00 24.15 C ATOM 1150 CD PRO A 78 3.960 -9.150 -1.210 1.00 62.21 C ATOM 0 HA PRO A 78 4.034 -12.268 -2.157 1.00 42.42 H new ATOM 0 HB2 PRO A 78 5.190 -10.515 -3.977 1.00 73.45 H new ATOM 0 HB3 PRO A 78 3.460 -10.505 -3.698 1.00 73.45 H new ATOM 0 HG2 PRO A 78 5.572 -8.688 -2.556 1.00 24.15 H new ATOM 0 HG3 PRO A 78 3.985 -8.277 -3.175 1.00 24.15 H new ATOM 0 HD2 PRO A 78 4.462 -8.491 -0.502 1.00 62.21 H new ATOM 0 HD3 PRO A 78 2.901 -8.893 -1.188 1.00 62.21 H new ATOM 1158 N ILE A 79 6.276 -13.104 -1.953 1.00 11.43 N ATOM 1159 CA ILE A 79 7.621 -13.658 -1.865 1.00 0.15 C ATOM 1160 C ILE A 79 7.937 -14.530 -3.075 1.00 34.11 C ATOM 1161 O ILE A 79 7.145 -15.395 -3.454 1.00 44.43 O ATOM 1162 CB ILE A 79 7.803 -14.492 -0.583 1.00 21.50 C ATOM 1163 CG1 ILE A 79 7.570 -13.624 0.655 1.00 54.12 C ATOM 1164 CG2 ILE A 79 9.192 -15.112 -0.547 1.00 60.34 C ATOM 1165 CD1 ILE A 79 8.575 -12.504 0.806 1.00 64.22 C ATOM 0 H ILE A 79 5.535 -13.802 -2.015 1.00 11.43 H new ATOM 0 HA ILE A 79 8.309 -12.813 -1.840 1.00 0.15 H new ATOM 0 HB ILE A 79 7.067 -15.296 -0.584 1.00 21.50 H new ATOM 0 HG12 ILE A 79 6.568 -13.198 0.606 1.00 54.12 H new ATOM 0 HG13 ILE A 79 7.605 -14.255 1.543 1.00 54.12 H new ATOM 0 HG21 ILE A 79 9.305 -15.698 0.365 1.00 60.34 H new ATOM 0 HG22 ILE A 79 9.324 -15.760 -1.414 1.00 60.34 H new ATOM 0 HG23 ILE A 79 9.943 -14.323 -0.567 1.00 60.34 H new ATOM 0 HD11 ILE A 79 8.348 -11.930 1.705 1.00 64.22 H new ATOM 0 HD12 ILE A 79 9.578 -12.923 0.887 1.00 64.22 H new ATOM 0 HD13 ILE A 79 8.524 -11.850 -0.064 1.00 64.22 H new ATOM 1177 N LEU A 80 9.098 -14.299 -3.677 1.00 22.44 N ATOM 1178 CA LEU A 80 9.521 -15.066 -4.844 1.00 13.51 C ATOM 1179 C LEU A 80 10.855 -15.759 -4.587 1.00 11.44 C ATOM 1180 O LEU A 80 11.866 -15.106 -4.327 1.00 51.32 O ATOM 1181 CB LEU A 80 9.635 -14.151 -6.065 1.00 2.14 C ATOM 1182 CG LEU A 80 8.360 -13.413 -6.473 1.00 35.24 C ATOM 1183 CD1 LEU A 80 7.161 -14.347 -6.413 1.00 14.14 C ATOM 1184 CD2 LEU A 80 8.138 -12.199 -5.582 1.00 75.24 C ATOM 0 H LEU A 80 9.764 -13.587 -3.377 1.00 22.44 H new ATOM 0 HA LEU A 80 8.768 -15.830 -5.038 1.00 13.51 H new ATOM 0 HB2 LEU A 80 10.412 -13.412 -5.869 1.00 2.14 H new ATOM 0 HB3 LEU A 80 9.971 -14.749 -6.912 1.00 2.14 H new ATOM 0 HG LEU A 80 8.475 -13.068 -7.501 1.00 35.24 H new ATOM 0 HD11 LEU A 80 6.262 -13.805 -6.707 1.00 14.14 H new ATOM 0 HD12 LEU A 80 7.318 -15.184 -7.093 1.00 14.14 H new ATOM 0 HD13 LEU A 80 7.043 -14.722 -5.396 1.00 14.14 H new ATOM 0 HD21 LEU A 80 7.226 -11.686 -5.887 1.00 75.24 H new ATOM 0 HD22 LEU A 80 8.044 -12.521 -4.545 1.00 75.24 H new ATOM 0 HD23 LEU A 80 8.985 -11.519 -5.675 1.00 75.24 H new ATOM 1196 N VAL A 81 10.851 -17.086 -4.662 1.00 52.23 N ATOM 1197 CA VAL A 81 12.061 -17.868 -4.441 1.00 43.10 C ATOM 1198 C VAL A 81 12.630 -18.385 -5.758 1.00 35.44 C ATOM 1199 O VAL A 81 11.897 -18.903 -6.602 1.00 22.53 O ATOM 1200 CB VAL A 81 11.795 -19.062 -3.505 1.00 12.30 C ATOM 1201 CG1 VAL A 81 10.801 -20.024 -4.137 1.00 32.24 C ATOM 1202 CG2 VAL A 81 13.096 -19.773 -3.166 1.00 1.25 C ATOM 0 H VAL A 81 10.023 -17.642 -4.874 1.00 52.23 H new ATOM 0 HA VAL A 81 12.786 -17.203 -3.972 1.00 43.10 H new ATOM 0 HB VAL A 81 11.361 -18.686 -2.578 1.00 12.30 H new ATOM 0 HG11 VAL A 81 10.625 -20.861 -3.462 1.00 32.24 H new ATOM 0 HG12 VAL A 81 9.861 -19.505 -4.324 1.00 32.24 H new ATOM 0 HG13 VAL A 81 11.204 -20.396 -5.079 1.00 32.24 H new ATOM 0 HG21 VAL A 81 12.889 -20.614 -2.504 1.00 1.25 H new ATOM 0 HG22 VAL A 81 13.561 -20.138 -4.082 1.00 1.25 H new ATOM 0 HG23 VAL A 81 13.772 -19.077 -2.669 1.00 1.25 H new ATOM 1212 N LEU A 82 13.939 -18.242 -5.927 1.00 23.40 N ATOM 1213 CA LEU A 82 14.608 -18.696 -7.142 1.00 33.23 C ATOM 1214 C LEU A 82 14.930 -20.185 -7.062 1.00 43.10 C ATOM 1215 O LEU A 82 15.155 -20.726 -5.979 1.00 4.11 O ATOM 1216 CB LEU A 82 15.891 -17.896 -7.370 1.00 63.13 C ATOM 1217 CG LEU A 82 15.757 -16.375 -7.292 1.00 51.12 C ATOM 1218 CD1 LEU A 82 16.965 -15.767 -6.596 1.00 34.54 C ATOM 1219 CD2 LEU A 82 15.587 -15.782 -8.684 1.00 25.44 C ATOM 0 H LEU A 82 14.559 -17.815 -5.239 1.00 23.40 H new ATOM 0 HA LEU A 82 13.933 -18.534 -7.982 1.00 33.23 H new ATOM 0 HB2 LEU A 82 16.629 -18.214 -6.634 1.00 63.13 H new ATOM 0 HB3 LEU A 82 16.288 -18.156 -8.351 1.00 63.13 H new ATOM 0 HG LEU A 82 14.869 -16.138 -6.707 1.00 51.12 H new ATOM 0 HD11 LEU A 82 16.851 -14.684 -6.550 1.00 34.54 H new ATOM 0 HD12 LEU A 82 17.042 -16.167 -5.585 1.00 34.54 H new ATOM 0 HD13 LEU A 82 17.869 -16.014 -7.154 1.00 34.54 H new ATOM 0 HD21 LEU A 82 15.493 -14.699 -8.609 1.00 25.44 H new ATOM 0 HD22 LEU A 82 16.456 -16.030 -9.294 1.00 25.44 H new ATOM 0 HD23 LEU A 82 14.690 -16.193 -9.147 1.00 25.44 H new ATOM 1231 N THR A 83 14.953 -20.843 -8.217 1.00 42.10 N ATOM 1232 CA THR A 83 15.249 -22.269 -8.279 1.00 3.44 C ATOM 1233 C THR A 83 16.316 -22.564 -9.327 1.00 1.23 C ATOM 1234 O THR A 83 16.588 -21.740 -10.201 1.00 4.35 O ATOM 1235 CB THR A 83 13.987 -23.091 -8.601 1.00 65.12 C ATOM 1236 OG1 THR A 83 14.322 -24.479 -8.708 1.00 34.40 O ATOM 1237 CG2 THR A 83 13.349 -22.617 -9.898 1.00 42.30 C ATOM 0 H THR A 83 14.770 -20.411 -9.123 1.00 42.10 H new ATOM 0 HA THR A 83 15.620 -22.558 -7.296 1.00 3.44 H new ATOM 0 HB THR A 83 13.272 -22.951 -7.791 1.00 65.12 H new ATOM 0 HG1 THR A 83 14.089 -24.937 -7.874 1.00 34.40 H new ATOM 0 HG21 THR A 83 12.460 -23.212 -10.105 1.00 42.30 H new ATOM 0 HG22 THR A 83 13.070 -21.568 -9.804 1.00 42.30 H new ATOM 0 HG23 THR A 83 14.060 -22.731 -10.716 1.00 42.30 H new ATOM 1245 N THR A 84 16.918 -23.746 -9.235 1.00 43.52 N ATOM 1246 CA THR A 84 17.956 -24.149 -10.175 1.00 61.44 C ATOM 1247 C THR A 84 17.534 -25.385 -10.962 1.00 43.25 C ATOM 1248 O THR A 84 17.866 -25.525 -12.139 1.00 51.21 O ATOM 1249 CB THR A 84 19.285 -24.443 -9.453 1.00 74.45 C ATOM 1250 OG1 THR A 84 20.294 -24.793 -10.408 1.00 34.25 O ATOM 1251 CG2 THR A 84 19.116 -25.573 -8.449 1.00 21.12 C ATOM 0 H THR A 84 16.704 -24.440 -8.519 1.00 43.52 H new ATOM 0 HA THR A 84 18.101 -23.315 -10.862 1.00 61.44 H new ATOM 0 HB THR A 84 19.589 -23.544 -8.917 1.00 74.45 H new ATOM 0 HG1 THR A 84 21.136 -24.977 -9.942 1.00 34.25 H new ATOM 0 HG21 THR A 84 20.067 -25.763 -7.952 1.00 21.12 H new ATOM 0 HG22 THR A 84 18.368 -25.292 -7.707 1.00 21.12 H new ATOM 0 HG23 THR A 84 18.791 -26.475 -8.968 1.00 21.12 H new ATOM 1259 N GLU A 85 16.801 -26.278 -10.305 1.00 52.22 N ATOM 1260 CA GLU A 85 16.334 -27.502 -10.945 1.00 42.05 C ATOM 1261 C GLU A 85 14.988 -27.280 -11.628 1.00 52.34 C ATOM 1262 O GLU A 85 14.717 -27.842 -12.688 1.00 73.14 O ATOM 1263 CB GLU A 85 16.217 -28.629 -9.917 1.00 50.11 C ATOM 1264 CG GLU A 85 17.557 -29.193 -9.477 1.00 24.20 C ATOM 1265 CD GLU A 85 17.417 -30.473 -8.676 1.00 11.12 C ATOM 1266 OE1 GLU A 85 18.216 -30.677 -7.738 1.00 60.44 O ATOM 1267 OE2 GLU A 85 16.507 -31.270 -8.987 1.00 11.23 O ATOM 0 H GLU A 85 16.518 -26.177 -9.330 1.00 52.22 H new ATOM 0 HA GLU A 85 17.064 -27.786 -11.703 1.00 42.05 H new ATOM 0 HB2 GLU A 85 15.684 -28.257 -9.042 1.00 50.11 H new ATOM 0 HB3 GLU A 85 15.615 -29.433 -10.339 1.00 50.11 H new ATOM 0 HG2 GLU A 85 18.173 -29.384 -10.356 1.00 24.20 H new ATOM 0 HG3 GLU A 85 18.081 -28.449 -8.877 1.00 24.20 H new ATOM 1274 N GLY A 86 14.147 -26.455 -11.011 1.00 52.15 N ATOM 1275 CA GLY A 86 12.839 -26.173 -11.573 1.00 14.11 C ATOM 1276 C GLY A 86 11.931 -27.387 -11.568 1.00 25.21 C ATOM 1277 O GLY A 86 11.104 -27.556 -12.464 1.00 22.24 O ATOM 0 H GLY A 86 14.348 -25.977 -10.133 1.00 52.15 H new ATOM 0 HA2 GLY A 86 12.369 -25.369 -11.006 1.00 14.11 H new ATOM 0 HA3 GLY A 86 12.956 -25.815 -12.596 1.00 14.11 H new ATOM 1281 N SER A 87 12.087 -28.236 -10.557 1.00 64.32 N ATOM 1282 CA SER A 87 11.279 -29.445 -10.442 1.00 43.43 C ATOM 1283 C SER A 87 9.972 -29.156 -9.711 1.00 32.21 C ATOM 1284 O SER A 87 9.844 -28.146 -9.020 1.00 3.54 O ATOM 1285 CB SER A 87 12.058 -30.537 -9.707 1.00 3.45 C ATOM 1286 OG SER A 87 13.060 -29.976 -8.875 1.00 70.44 O ATOM 0 H SER A 87 12.765 -28.109 -9.806 1.00 64.32 H new ATOM 0 HA SER A 87 11.043 -29.793 -11.448 1.00 43.43 H new ATOM 0 HB2 SER A 87 11.373 -31.134 -9.105 1.00 3.45 H new ATOM 0 HB3 SER A 87 12.517 -31.211 -10.431 1.00 3.45 H new ATOM 0 HG SER A 87 13.543 -30.694 -8.415 1.00 70.44 H new ATOM 1292 N ASP A 88 9.003 -30.051 -9.869 1.00 21.40 N ATOM 1293 CA ASP A 88 7.705 -29.895 -9.224 1.00 32.25 C ATOM 1294 C ASP A 88 7.818 -30.106 -7.717 1.00 30.30 C ATOM 1295 O ASP A 88 7.140 -29.441 -6.934 1.00 60.25 O ATOM 1296 CB ASP A 88 6.696 -30.881 -9.815 1.00 15.42 C ATOM 1297 CG ASP A 88 5.274 -30.356 -9.761 1.00 2.20 C ATOM 1298 OD1 ASP A 88 4.528 -30.759 -8.845 1.00 74.32 O ATOM 1299 OD2 ASP A 88 4.908 -29.542 -10.635 1.00 63.32 O ATOM 0 H ASP A 88 9.092 -30.892 -10.439 1.00 21.40 H new ATOM 0 HA ASP A 88 7.357 -28.878 -9.405 1.00 32.25 H new ATOM 0 HB2 ASP A 88 6.963 -31.093 -10.850 1.00 15.42 H new ATOM 0 HB3 ASP A 88 6.753 -31.824 -9.272 1.00 15.42 H new ATOM 1304 N ALA A 89 8.679 -31.037 -7.318 1.00 75.21 N ATOM 1305 CA ALA A 89 8.881 -31.335 -5.906 1.00 21.33 C ATOM 1306 C ALA A 89 9.357 -30.101 -5.147 1.00 22.31 C ATOM 1307 O ALA A 89 8.945 -29.861 -4.012 1.00 4.12 O ATOM 1308 CB ALA A 89 9.878 -32.474 -5.744 1.00 54.42 C ATOM 0 H ALA A 89 9.247 -31.597 -7.953 1.00 75.21 H new ATOM 0 HA ALA A 89 7.924 -31.642 -5.484 1.00 21.33 H new ATOM 0 HB1 ALA A 89 10.019 -32.686 -4.684 1.00 54.42 H new ATOM 0 HB2 ALA A 89 9.498 -33.364 -6.245 1.00 54.42 H new ATOM 0 HB3 ALA A 89 10.832 -32.188 -6.187 1.00 54.42 H new ATOM 1314 N PHE A 90 10.227 -29.322 -5.781 1.00 3.15 N ATOM 1315 CA PHE A 90 10.761 -28.113 -5.164 1.00 50.10 C ATOM 1316 C PHE A 90 9.634 -27.174 -4.744 1.00 41.43 C ATOM 1317 O PHE A 90 9.701 -26.535 -3.694 1.00 2.21 O ATOM 1318 CB PHE A 90 11.705 -27.395 -6.132 1.00 35.55 C ATOM 1319 CG PHE A 90 12.763 -26.582 -5.444 1.00 2.23 C ATOM 1320 CD1 PHE A 90 12.590 -25.221 -5.245 1.00 61.51 C ATOM 1321 CD2 PHE A 90 13.931 -27.177 -4.995 1.00 61.32 C ATOM 1322 CE1 PHE A 90 13.563 -24.470 -4.613 1.00 61.41 C ATOM 1323 CE2 PHE A 90 14.908 -26.431 -4.362 1.00 75.32 C ATOM 1324 CZ PHE A 90 14.723 -25.076 -4.170 1.00 73.30 C ATOM 0 H PHE A 90 10.577 -29.506 -6.721 1.00 3.15 H new ATOM 0 HA PHE A 90 11.318 -28.405 -4.274 1.00 50.10 H new ATOM 0 HB2 PHE A 90 12.185 -28.134 -6.774 1.00 35.55 H new ATOM 0 HB3 PHE A 90 11.120 -26.742 -6.780 1.00 35.55 H new ATOM 0 HD1 PHE A 90 11.685 -24.742 -5.588 1.00 61.51 H new ATOM 0 HD2 PHE A 90 14.080 -28.237 -5.141 1.00 61.32 H new ATOM 0 HE1 PHE A 90 13.417 -23.410 -4.466 1.00 61.41 H new ATOM 0 HE2 PHE A 90 15.814 -26.907 -4.018 1.00 75.32 H new ATOM 0 HZ PHE A 90 15.484 -24.491 -3.674 1.00 73.30 H new ATOM 1334 N LYS A 91 8.599 -27.094 -5.573 1.00 73.21 N ATOM 1335 CA LYS A 91 7.456 -26.234 -5.290 1.00 74.30 C ATOM 1336 C LYS A 91 6.909 -26.499 -3.891 1.00 33.30 C ATOM 1337 O LYS A 91 6.465 -25.580 -3.204 1.00 30.25 O ATOM 1338 CB LYS A 91 6.355 -26.456 -6.330 1.00 11.31 C ATOM 1339 CG LYS A 91 6.770 -26.086 -7.743 1.00 63.44 C ATOM 1340 CD LYS A 91 5.806 -26.650 -8.773 1.00 71.43 C ATOM 1341 CE LYS A 91 4.491 -25.885 -8.784 1.00 23.44 C ATOM 1342 NZ LYS A 91 3.701 -26.158 -10.016 1.00 13.12 N ATOM 0 H LYS A 91 8.528 -27.615 -6.447 1.00 73.21 H new ATOM 0 HA LYS A 91 7.791 -25.198 -5.340 1.00 74.30 H new ATOM 0 HB2 LYS A 91 6.055 -27.504 -6.311 1.00 11.31 H new ATOM 0 HB3 LYS A 91 5.480 -25.869 -6.052 1.00 11.31 H new ATOM 0 HG2 LYS A 91 6.812 -25.001 -7.838 1.00 63.44 H new ATOM 0 HG3 LYS A 91 7.774 -26.462 -7.939 1.00 63.44 H new ATOM 0 HD2 LYS A 91 6.262 -26.606 -9.762 1.00 71.43 H new ATOM 0 HD3 LYS A 91 5.615 -27.701 -8.557 1.00 71.43 H new ATOM 0 HE2 LYS A 91 3.904 -26.160 -7.908 1.00 23.44 H new ATOM 0 HE3 LYS A 91 4.692 -24.816 -8.711 1.00 23.44 H new ATOM 0 HZ1 LYS A 91 2.812 -25.618 -9.985 1.00 13.12 H new ATOM 0 HZ2 LYS A 91 4.251 -25.873 -10.851 1.00 13.12 H new ATOM 0 HZ3 LYS A 91 3.487 -27.174 -10.073 1.00 13.12 H new ATOM 1356 N ALA A 92 6.945 -27.761 -3.476 1.00 21.24 N ATOM 1357 CA ALA A 92 6.456 -28.146 -2.157 1.00 44.23 C ATOM 1358 C ALA A 92 7.273 -27.481 -1.054 1.00 35.32 C ATOM 1359 O ALA A 92 6.732 -27.086 -0.022 1.00 11.54 O ATOM 1360 CB ALA A 92 6.490 -29.659 -2.003 1.00 30.12 C ATOM 0 H ALA A 92 7.308 -28.534 -4.034 1.00 21.24 H new ATOM 0 HA ALA A 92 5.425 -27.806 -2.065 1.00 44.23 H new ATOM 0 HB1 ALA A 92 6.122 -29.932 -1.014 1.00 30.12 H new ATOM 0 HB2 ALA A 92 5.858 -30.116 -2.764 1.00 30.12 H new ATOM 0 HB3 ALA A 92 7.514 -30.014 -2.120 1.00 30.12 H new ATOM 1366 N ALA A 93 8.577 -27.363 -1.279 1.00 10.24 N ATOM 1367 CA ALA A 93 9.467 -26.745 -0.304 1.00 22.03 C ATOM 1368 C ALA A 93 9.084 -25.290 -0.055 1.00 62.03 C ATOM 1369 O ALA A 93 8.767 -24.905 1.070 1.00 72.34 O ATOM 1370 CB ALA A 93 10.911 -26.840 -0.773 1.00 44.01 C ATOM 0 H ALA A 93 9.041 -27.687 -2.128 1.00 10.24 H new ATOM 0 HA ALA A 93 9.366 -27.286 0.637 1.00 22.03 H new ATOM 0 HB1 ALA A 93 11.565 -26.374 -0.035 1.00 44.01 H new ATOM 0 HB2 ALA A 93 11.187 -27.888 -0.892 1.00 44.01 H new ATOM 0 HB3 ALA A 93 11.018 -26.326 -1.728 1.00 44.01 H new ATOM 1376 N ALA A 94 9.117 -24.486 -1.113 1.00 1.53 N ATOM 1377 CA ALA A 94 8.772 -23.073 -1.009 1.00 21.20 C ATOM 1378 C ALA A 94 7.417 -22.887 -0.335 1.00 71.11 C ATOM 1379 O ALA A 94 7.259 -22.034 0.538 1.00 4.14 O ATOM 1380 CB ALA A 94 8.772 -22.427 -2.387 1.00 33.43 C ATOM 0 H ALA A 94 9.379 -24.789 -2.051 1.00 1.53 H new ATOM 0 HA ALA A 94 9.526 -22.585 -0.391 1.00 21.20 H new ATOM 0 HB1 ALA A 94 8.513 -21.372 -2.294 1.00 33.43 H new ATOM 0 HB2 ALA A 94 9.763 -22.519 -2.832 1.00 33.43 H new ATOM 0 HB3 ALA A 94 8.041 -22.926 -3.023 1.00 33.43 H new ATOM 1386 N ARG A 95 6.441 -23.690 -0.747 1.00 23.12 N ATOM 1387 CA ARG A 95 5.099 -23.612 -0.184 1.00 33.13 C ATOM 1388 C ARG A 95 5.109 -23.972 1.299 1.00 3.11 C ATOM 1389 O ARG A 95 4.360 -23.401 2.092 1.00 71.31 O ATOM 1390 CB ARG A 95 4.151 -24.545 -0.939 1.00 72.42 C ATOM 1391 CG ARG A 95 2.690 -24.367 -0.560 1.00 52.41 C ATOM 1392 CD ARG A 95 2.204 -22.958 -0.864 1.00 32.01 C ATOM 1393 NE ARG A 95 0.780 -22.797 -0.579 1.00 45.22 N ATOM 1394 CZ ARG A 95 0.199 -21.619 -0.384 1.00 51.44 C ATOM 1395 NH1 ARG A 95 0.915 -20.504 -0.444 1.00 32.23 N ATOM 1396 NH2 ARG A 95 -1.102 -21.553 -0.130 1.00 62.31 N ATOM 0 H ARG A 95 6.555 -24.402 -1.469 1.00 23.12 H new ATOM 0 HA ARG A 95 4.748 -22.585 -0.289 1.00 33.13 H new ATOM 0 HB2 ARG A 95 4.263 -24.374 -2.010 1.00 72.42 H new ATOM 0 HB3 ARG A 95 4.444 -25.578 -0.749 1.00 72.42 H new ATOM 0 HG2 ARG A 95 2.081 -25.089 -1.105 1.00 52.41 H new ATOM 0 HG3 ARG A 95 2.560 -24.577 0.502 1.00 52.41 H new ATOM 0 HD2 ARG A 95 2.775 -22.242 -0.273 1.00 32.01 H new ATOM 0 HD3 ARG A 95 2.392 -22.728 -1.913 1.00 32.01 H new ATOM 0 HE ARG A 95 0.201 -23.635 -0.527 1.00 45.22 H new ATOM 0 HH11 ARG A 95 1.915 -20.550 -0.640 1.00 32.23 H new ATOM 0 HH12 ARG A 95 0.466 -19.601 -0.294 1.00 32.23 H new ATOM 0 HH21 ARG A 95 -1.657 -22.408 -0.084 1.00 62.31 H new ATOM 0 HH22 ARG A 95 -1.547 -20.648 0.020 1.00 62.31 H new ATOM 1410 N ASP A 96 5.963 -24.921 1.666 1.00 73.51 N ATOM 1411 CA ASP A 96 6.072 -25.357 3.053 1.00 35.43 C ATOM 1412 C ASP A 96 6.593 -24.229 3.938 1.00 34.21 C ATOM 1413 O ASP A 96 6.115 -24.032 5.055 1.00 53.22 O ATOM 1414 CB ASP A 96 6.995 -26.572 3.158 1.00 60.13 C ATOM 1415 CG ASP A 96 7.335 -26.919 4.594 1.00 61.12 C ATOM 1416 OD1 ASP A 96 8.462 -26.605 5.029 1.00 45.33 O ATOM 1417 OD2 ASP A 96 6.474 -27.506 5.283 1.00 61.04 O ATOM 0 H ASP A 96 6.590 -25.403 1.022 1.00 73.51 H new ATOM 0 HA ASP A 96 5.077 -25.636 3.399 1.00 35.43 H new ATOM 0 HB2 ASP A 96 6.518 -27.429 2.684 1.00 60.13 H new ATOM 0 HB3 ASP A 96 7.915 -26.374 2.608 1.00 60.13 H new ATOM 1422 N ALA A 97 7.576 -23.493 3.431 1.00 11.33 N ATOM 1423 CA ALA A 97 8.161 -22.384 4.175 1.00 62.00 C ATOM 1424 C ALA A 97 7.159 -21.247 4.344 1.00 3.12 C ATOM 1425 O ALA A 97 7.143 -20.568 5.370 1.00 22.33 O ATOM 1426 CB ALA A 97 9.417 -21.884 3.476 1.00 72.10 C ATOM 0 H ALA A 97 7.984 -23.644 2.509 1.00 11.33 H new ATOM 0 HA ALA A 97 8.430 -22.746 5.167 1.00 62.00 H new ATOM 0 HB1 ALA A 97 9.843 -21.056 4.042 1.00 72.10 H new ATOM 0 HB2 ALA A 97 10.145 -22.693 3.413 1.00 72.10 H new ATOM 0 HB3 ALA A 97 9.164 -21.544 2.472 1.00 72.10 H new ATOM 1432 N GLY A 98 6.324 -21.044 3.329 1.00 4.25 N ATOM 1433 CA GLY A 98 5.331 -19.987 3.386 1.00 4.11 C ATOM 1434 C GLY A 98 5.580 -18.902 2.357 1.00 71.22 C ATOM 1435 O GLY A 98 5.281 -17.732 2.594 1.00 63.21 O ATOM 0 H GLY A 98 6.318 -21.592 2.469 1.00 4.25 H new ATOM 0 HA2 GLY A 98 4.341 -20.414 3.227 1.00 4.11 H new ATOM 0 HA3 GLY A 98 5.332 -19.545 4.383 1.00 4.11 H new ATOM 1439 N ALA A 99 6.130 -19.291 1.211 1.00 54.21 N ATOM 1440 CA ALA A 99 6.418 -18.343 0.142 1.00 50.21 C ATOM 1441 C ALA A 99 5.288 -18.310 -0.882 1.00 3.20 C ATOM 1442 O ALA A 99 4.681 -19.337 -1.186 1.00 61.12 O ATOM 1443 CB ALA A 99 7.735 -18.694 -0.534 1.00 2.01 C ATOM 0 H ALA A 99 6.385 -20.256 0.999 1.00 54.21 H new ATOM 0 HA ALA A 99 6.502 -17.350 0.584 1.00 50.21 H new ATOM 0 HB1 ALA A 99 7.937 -17.978 -1.330 1.00 2.01 H new ATOM 0 HB2 ALA A 99 8.541 -18.659 0.199 1.00 2.01 H new ATOM 0 HB3 ALA A 99 7.671 -19.697 -0.956 1.00 2.01 H new ATOM 1449 N THR A 100 5.010 -17.122 -1.411 1.00 72.31 N ATOM 1450 CA THR A 100 3.952 -16.955 -2.399 1.00 72.14 C ATOM 1451 C THR A 100 4.208 -17.818 -3.630 1.00 54.50 C ATOM 1452 O THR A 100 3.547 -18.835 -3.835 1.00 42.13 O ATOM 1453 CB THR A 100 3.818 -15.484 -2.836 1.00 64.01 C ATOM 1454 OG1 THR A 100 3.502 -14.664 -1.706 1.00 34.13 O ATOM 1455 CG2 THR A 100 2.740 -15.331 -3.898 1.00 44.54 C ATOM 0 H THR A 100 5.503 -16.262 -1.171 1.00 72.31 H new ATOM 0 HA THR A 100 3.023 -17.271 -1.924 1.00 72.14 H new ATOM 0 HB THR A 100 4.770 -15.166 -3.260 1.00 64.01 H new ATOM 0 HG1 THR A 100 2.734 -14.095 -1.920 1.00 34.13 H new ATOM 0 HG21 THR A 100 2.664 -14.284 -4.191 1.00 44.54 H new ATOM 0 HG22 THR A 100 2.999 -15.933 -4.769 1.00 44.54 H new ATOM 0 HG23 THR A 100 1.784 -15.666 -3.497 1.00 44.54 H new ATOM 1463 N GLY A 101 5.172 -17.404 -4.447 1.00 30.11 N ATOM 1464 CA GLY A 101 5.498 -18.151 -5.647 1.00 63.44 C ATOM 1465 C GLY A 101 6.993 -18.321 -5.836 1.00 74.52 C ATOM 1466 O GLY A 101 7.785 -17.866 -5.011 1.00 72.32 O ATOM 0 H GLY A 101 5.733 -16.565 -4.299 1.00 30.11 H new ATOM 0 HA2 GLY A 101 5.027 -19.133 -5.599 1.00 63.44 H new ATOM 0 HA3 GLY A 101 5.081 -17.639 -6.514 1.00 63.44 H new ATOM 1470 N TRP A 102 7.379 -18.979 -6.923 1.00 75.43 N ATOM 1471 CA TRP A 102 8.789 -19.210 -7.217 1.00 34.14 C ATOM 1472 C TRP A 102 9.083 -18.974 -8.694 1.00 20.12 C ATOM 1473 O TRP A 102 8.171 -18.940 -9.520 1.00 15.41 O ATOM 1474 CB TRP A 102 9.185 -20.635 -6.826 1.00 5.30 C ATOM 1475 CG TRP A 102 8.801 -21.660 -7.849 1.00 62.13 C ATOM 1476 CD1 TRP A 102 7.687 -21.652 -8.640 1.00 5.23 C ATOM 1477 CD2 TRP A 102 9.529 -22.845 -8.191 1.00 1.24 C ATOM 1478 NE1 TRP A 102 7.679 -22.760 -9.452 1.00 22.22 N ATOM 1479 CE2 TRP A 102 8.798 -23.507 -9.196 1.00 65.34 C ATOM 1480 CE3 TRP A 102 10.728 -23.409 -7.746 1.00 73.23 C ATOM 1481 CZ2 TRP A 102 9.228 -24.705 -9.762 1.00 2.13 C ATOM 1482 CZ3 TRP A 102 11.153 -24.598 -8.308 1.00 73.02 C ATOM 1483 CH2 TRP A 102 10.405 -25.235 -9.308 1.00 22.14 C ATOM 0 H TRP A 102 6.736 -19.362 -7.616 1.00 75.43 H new ATOM 0 HA TRP A 102 9.378 -18.503 -6.632 1.00 34.14 H new ATOM 0 HB2 TRP A 102 10.263 -20.675 -6.669 1.00 5.30 H new ATOM 0 HB3 TRP A 102 8.715 -20.887 -5.875 1.00 5.30 H new ATOM 0 HD1 TRP A 102 6.925 -20.887 -8.629 1.00 5.23 H new ATOM 0 HE1 TRP A 102 6.957 -22.989 -10.135 1.00 22.22 H new ATOM 0 HE3 TRP A 102 11.312 -22.925 -6.977 1.00 73.23 H new ATOM 0 HZ2 TRP A 102 8.653 -25.198 -10.532 1.00 2.13 H new ATOM 0 HZ3 TRP A 102 12.077 -25.044 -7.971 1.00 73.02 H new ATOM 0 HH2 TRP A 102 10.765 -26.162 -9.728 1.00 22.14 H new ATOM 1494 N ILE A 103 10.361 -18.812 -9.019 1.00 70.45 N ATOM 1495 CA ILE A 103 10.774 -18.581 -10.398 1.00 61.10 C ATOM 1496 C ILE A 103 12.170 -19.138 -10.654 1.00 63.13 C ATOM 1497 O ILE A 103 12.869 -19.539 -9.724 1.00 70.33 O ATOM 1498 CB ILE A 103 10.760 -17.081 -10.746 1.00 5.34 C ATOM 1499 CG1 ILE A 103 11.144 -16.248 -9.521 1.00 12.33 C ATOM 1500 CG2 ILE A 103 9.391 -16.670 -11.265 1.00 12.21 C ATOM 1501 CD1 ILE A 103 12.502 -16.597 -8.953 1.00 35.41 C ATOM 0 H ILE A 103 11.128 -18.836 -8.347 1.00 70.45 H new ATOM 0 HA ILE A 103 10.056 -19.100 -11.034 1.00 61.10 H new ATOM 0 HB ILE A 103 11.494 -16.898 -11.531 1.00 5.34 H new ATOM 0 HG12 ILE A 103 11.133 -15.192 -9.792 1.00 12.33 H new ATOM 0 HG13 ILE A 103 10.389 -16.386 -8.747 1.00 12.33 H new ATOM 0 HG21 ILE A 103 9.397 -15.607 -11.506 1.00 12.21 H new ATOM 0 HG22 ILE A 103 9.154 -17.244 -12.161 1.00 12.21 H new ATOM 0 HG23 ILE A 103 8.639 -16.864 -10.500 1.00 12.21 H new ATOM 0 HD11 ILE A 103 12.707 -15.967 -8.087 1.00 35.41 H new ATOM 0 HD12 ILE A 103 12.512 -17.644 -8.650 1.00 35.41 H new ATOM 0 HD13 ILE A 103 13.267 -16.432 -9.712 1.00 35.41 H new ATOM 1513 N GLU A 104 12.570 -19.158 -11.922 1.00 43.40 N ATOM 1514 CA GLU A 104 13.884 -19.665 -12.300 1.00 41.30 C ATOM 1515 C GLU A 104 14.831 -18.519 -12.645 1.00 51.20 C ATOM 1516 O GLU A 104 14.467 -17.595 -13.373 1.00 10.22 O ATOM 1517 CB GLU A 104 13.764 -20.618 -13.491 1.00 2.10 C ATOM 1518 CG GLU A 104 12.865 -20.097 -14.599 1.00 50.14 C ATOM 1519 CD GLU A 104 13.486 -20.248 -15.974 1.00 45.23 C ATOM 1520 OE1 GLU A 104 14.401 -19.463 -16.302 1.00 55.12 O ATOM 1521 OE2 GLU A 104 13.058 -21.152 -16.722 1.00 43.32 O ATOM 0 H GLU A 104 12.003 -18.829 -12.704 1.00 43.40 H new ATOM 0 HA GLU A 104 14.294 -20.208 -11.449 1.00 41.30 H new ATOM 0 HB2 GLU A 104 14.758 -20.804 -13.898 1.00 2.10 H new ATOM 0 HB3 GLU A 104 13.378 -21.576 -13.142 1.00 2.10 H new ATOM 0 HG2 GLU A 104 11.915 -20.631 -14.573 1.00 50.14 H new ATOM 0 HG3 GLU A 104 12.644 -19.045 -14.418 1.00 50.14 H new ATOM 1528 N LYS A 105 16.048 -18.586 -12.117 1.00 2.53 N ATOM 1529 CA LYS A 105 17.049 -17.556 -12.368 1.00 3.44 C ATOM 1530 C LYS A 105 17.973 -17.962 -13.511 1.00 65.20 C ATOM 1531 O LYS A 105 18.102 -19.139 -13.849 1.00 21.25 O ATOM 1532 CB LYS A 105 17.870 -17.294 -11.103 1.00 21.13 C ATOM 1533 CG LYS A 105 19.136 -18.130 -11.015 1.00 55.43 C ATOM 1534 CD LYS A 105 19.513 -18.420 -9.572 1.00 64.14 C ATOM 1535 CE LYS A 105 20.886 -19.069 -9.475 1.00 53.24 C ATOM 1536 NZ LYS A 105 21.982 -18.064 -9.566 1.00 35.53 N ATOM 0 H LYS A 105 16.365 -19.343 -11.512 1.00 2.53 H new ATOM 0 HA LYS A 105 16.529 -16.641 -12.652 1.00 3.44 H new ATOM 0 HB2 LYS A 105 18.139 -16.238 -11.067 1.00 21.13 H new ATOM 0 HB3 LYS A 105 17.250 -17.496 -10.229 1.00 21.13 H new ATOM 0 HG2 LYS A 105 18.991 -19.069 -11.550 1.00 55.43 H new ATOM 0 HG3 LYS A 105 19.955 -17.605 -11.508 1.00 55.43 H new ATOM 0 HD2 LYS A 105 19.506 -17.492 -8.999 1.00 64.14 H new ATOM 0 HD3 LYS A 105 18.767 -19.076 -9.124 1.00 64.14 H new ATOM 0 HE2 LYS A 105 20.966 -19.610 -8.532 1.00 53.24 H new ATOM 0 HE3 LYS A 105 20.998 -19.802 -10.274 1.00 53.24 H new ATOM 0 HZ1 LYS A 105 22.492 -18.187 -10.464 1.00 35.53 H new ATOM 0 HZ2 LYS A 105 21.579 -17.106 -9.525 1.00 35.53 H new ATOM 0 HZ3 LYS A 105 22.641 -18.197 -8.773 1.00 35.53 H new ATOM 1550 N PRO A 106 18.634 -16.967 -14.121 1.00 62.35 N ATOM 1551 CA PRO A 106 18.489 -15.562 -13.729 1.00 34.52 C ATOM 1552 C PRO A 106 17.116 -15.001 -14.084 1.00 2.53 C ATOM 1553 O PRO A 106 16.303 -15.676 -14.715 1.00 62.04 O ATOM 1554 CB PRO A 106 19.581 -14.854 -14.534 1.00 20.13 C ATOM 1555 CG PRO A 106 19.807 -15.730 -15.718 1.00 1.43 C ATOM 1556 CD PRO A 106 19.574 -17.137 -15.243 1.00 32.15 C ATOM 0 HA PRO A 106 18.581 -15.428 -12.651 1.00 34.52 H new ATOM 0 HB2 PRO A 106 19.266 -13.855 -14.835 1.00 20.13 H new ATOM 0 HB3 PRO A 106 20.493 -14.738 -13.948 1.00 20.13 H new ATOM 0 HG2 PRO A 106 19.125 -15.474 -16.529 1.00 1.43 H new ATOM 0 HG3 PRO A 106 20.819 -15.611 -16.104 1.00 1.43 H new ATOM 0 HD2 PRO A 106 19.152 -17.762 -16.030 1.00 32.15 H new ATOM 0 HD3 PRO A 106 20.501 -17.612 -14.922 1.00 32.15 H new ATOM 1564 N ILE A 107 16.865 -13.762 -13.674 1.00 44.44 N ATOM 1565 CA ILE A 107 15.592 -13.109 -13.951 1.00 74.32 C ATOM 1566 C ILE A 107 15.782 -11.888 -14.844 1.00 1.32 C ATOM 1567 O ILE A 107 16.825 -11.234 -14.805 1.00 70.52 O ATOM 1568 CB ILE A 107 14.887 -12.677 -12.652 1.00 55.10 C ATOM 1569 CG1 ILE A 107 14.860 -13.834 -11.651 1.00 3.31 C ATOM 1570 CG2 ILE A 107 13.474 -12.196 -12.951 1.00 5.33 C ATOM 1571 CD1 ILE A 107 14.039 -15.016 -12.115 1.00 15.22 C ATOM 0 H ILE A 107 17.527 -13.190 -13.149 1.00 44.44 H new ATOM 0 HA ILE A 107 14.969 -13.839 -14.467 1.00 74.32 H new ATOM 0 HB ILE A 107 15.446 -11.852 -12.210 1.00 55.10 H new ATOM 0 HG12 ILE A 107 15.882 -14.164 -11.462 1.00 3.31 H new ATOM 0 HG13 ILE A 107 14.460 -13.474 -10.703 1.00 3.31 H new ATOM 0 HG21 ILE A 107 12.988 -11.894 -12.023 1.00 5.33 H new ATOM 0 HG22 ILE A 107 13.515 -11.346 -13.632 1.00 5.33 H new ATOM 0 HG23 ILE A 107 12.905 -13.003 -13.412 1.00 5.33 H new ATOM 0 HD11 ILE A 107 14.065 -15.798 -11.356 1.00 15.22 H new ATOM 0 HD12 ILE A 107 13.008 -14.702 -12.277 1.00 15.22 H new ATOM 0 HD13 ILE A 107 14.451 -15.402 -13.047 1.00 15.22 H new ATOM 1583 N ASP A 108 14.768 -11.584 -15.646 1.00 15.14 N ATOM 1584 CA ASP A 108 14.821 -10.438 -16.546 1.00 64.45 C ATOM 1585 C ASP A 108 14.307 -9.179 -15.856 1.00 33.31 C ATOM 1586 O ASP A 108 13.529 -9.238 -14.904 1.00 13.15 O ATOM 1587 CB ASP A 108 14.001 -10.715 -17.807 1.00 61.03 C ATOM 1588 CG ASP A 108 14.871 -11.059 -19.000 1.00 42.33 C ATOM 1589 OD1 ASP A 108 15.984 -10.502 -19.102 1.00 63.31 O ATOM 1590 OD2 ASP A 108 14.439 -11.883 -19.833 1.00 34.32 O ATOM 0 H ASP A 108 13.899 -12.116 -15.691 1.00 15.14 H new ATOM 0 HA ASP A 108 15.862 -10.276 -16.827 1.00 64.45 H new ATOM 0 HB2 ASP A 108 13.311 -11.537 -17.615 1.00 61.03 H new ATOM 0 HB3 ASP A 108 13.396 -9.840 -18.043 1.00 61.03 H new ATOM 1595 N PRO A 109 14.751 -8.012 -16.345 1.00 70.00 N ATOM 1596 CA PRO A 109 14.349 -6.716 -15.790 1.00 33.54 C ATOM 1597 C PRO A 109 12.886 -6.392 -16.076 1.00 5.14 C ATOM 1598 O PRO A 109 12.210 -5.762 -15.264 1.00 30.02 O ATOM 1599 CB PRO A 109 15.267 -5.723 -16.506 1.00 11.13 C ATOM 1600 CG PRO A 109 15.629 -6.396 -17.785 1.00 1.25 C ATOM 1601 CD PRO A 109 15.680 -7.867 -17.478 1.00 71.14 C ATOM 0 HA PRO A 109 14.438 -6.692 -14.704 1.00 33.54 H new ATOM 0 HB2 PRO A 109 14.760 -4.775 -16.687 1.00 11.13 H new ATOM 0 HB3 PRO A 109 16.153 -5.502 -15.910 1.00 11.13 H new ATOM 0 HG2 PRO A 109 14.892 -6.184 -18.560 1.00 1.25 H new ATOM 0 HG3 PRO A 109 16.591 -6.041 -18.154 1.00 1.25 H new ATOM 0 HD2 PRO A 109 15.368 -8.467 -18.333 1.00 71.14 H new ATOM 0 HD3 PRO A 109 16.688 -8.188 -17.215 1.00 71.14 H new ATOM 1609 N GLY A 110 12.404 -6.827 -17.236 1.00 23.11 N ATOM 1610 CA GLY A 110 11.025 -6.573 -17.608 1.00 33.31 C ATOM 1611 C GLY A 110 10.043 -7.381 -16.782 1.00 5.13 C ATOM 1612 O GLY A 110 8.946 -6.914 -16.476 1.00 4.35 O ATOM 0 H GLY A 110 12.944 -7.351 -17.925 1.00 23.11 H new ATOM 0 HA2 GLY A 110 10.809 -5.511 -17.487 1.00 33.31 H new ATOM 0 HA3 GLY A 110 10.887 -6.808 -18.663 1.00 33.31 H new ATOM 1616 N VAL A 111 10.437 -8.598 -16.421 1.00 23.12 N ATOM 1617 CA VAL A 111 9.584 -9.473 -15.626 1.00 23.25 C ATOM 1618 C VAL A 111 9.573 -9.047 -14.162 1.00 34.22 C ATOM 1619 O VAL A 111 8.511 -8.905 -13.553 1.00 71.54 O ATOM 1620 CB VAL A 111 10.044 -10.940 -15.718 1.00 72.42 C ATOM 1621 CG1 VAL A 111 9.160 -11.832 -14.859 1.00 62.02 C ATOM 1622 CG2 VAL A 111 10.041 -11.409 -17.166 1.00 2.45 C ATOM 0 H VAL A 111 11.342 -9.000 -16.667 1.00 23.12 H new ATOM 0 HA VAL A 111 8.577 -9.389 -16.034 1.00 23.25 H new ATOM 0 HB VAL A 111 11.064 -11.007 -15.340 1.00 72.42 H new ATOM 0 HG11 VAL A 111 9.500 -12.865 -14.937 1.00 62.02 H new ATOM 0 HG12 VAL A 111 9.217 -11.508 -13.820 1.00 62.02 H new ATOM 0 HG13 VAL A 111 8.128 -11.763 -15.204 1.00 62.02 H new ATOM 0 HG21 VAL A 111 10.369 -12.448 -17.213 1.00 2.45 H new ATOM 0 HG22 VAL A 111 9.033 -11.328 -17.573 1.00 2.45 H new ATOM 0 HG23 VAL A 111 10.719 -10.788 -17.751 1.00 2.45 H new ATOM 1632 N LEU A 112 10.760 -8.844 -13.601 1.00 54.32 N ATOM 1633 CA LEU A 112 10.887 -8.433 -12.207 1.00 40.33 C ATOM 1634 C LEU A 112 10.041 -7.195 -11.925 1.00 44.00 C ATOM 1635 O LEU A 112 9.163 -7.214 -11.063 1.00 12.21 O ATOM 1636 CB LEU A 112 12.352 -8.151 -11.870 1.00 62.00 C ATOM 1637 CG LEU A 112 12.694 -8.064 -10.382 1.00 53.51 C ATOM 1638 CD1 LEU A 112 14.183 -8.280 -10.163 1.00 32.45 C ATOM 1639 CD2 LEU A 112 12.259 -6.721 -9.813 1.00 52.22 C ATOM 0 H LEU A 112 11.648 -8.957 -14.090 1.00 54.32 H new ATOM 0 HA LEU A 112 10.526 -9.248 -11.579 1.00 40.33 H new ATOM 0 HB2 LEU A 112 12.964 -8.934 -12.318 1.00 62.00 H new ATOM 0 HB3 LEU A 112 12.639 -7.212 -12.344 1.00 62.00 H new ATOM 0 HG LEU A 112 12.153 -8.851 -9.858 1.00 53.51 H new ATOM 0 HD11 LEU A 112 14.407 -8.215 -9.098 1.00 32.45 H new ATOM 0 HD12 LEU A 112 14.466 -9.265 -10.534 1.00 32.45 H new ATOM 0 HD13 LEU A 112 14.744 -7.515 -10.700 1.00 32.45 H new ATOM 0 HD21 LEU A 112 12.510 -6.676 -8.753 1.00 52.22 H new ATOM 0 HD22 LEU A 112 12.773 -5.918 -10.342 1.00 52.22 H new ATOM 0 HD23 LEU A 112 11.182 -6.605 -9.936 1.00 52.22 H new ATOM 1651 N VAL A 113 10.311 -6.120 -12.659 1.00 63.11 N ATOM 1652 CA VAL A 113 9.573 -4.874 -12.490 1.00 63.13 C ATOM 1653 C VAL A 113 8.071 -5.106 -12.601 1.00 34.25 C ATOM 1654 O VAL A 113 7.282 -4.468 -11.904 1.00 72.31 O ATOM 1655 CB VAL A 113 9.997 -3.825 -13.535 1.00 5.41 C ATOM 1656 CG1 VAL A 113 9.169 -2.558 -13.386 1.00 3.52 C ATOM 1657 CG2 VAL A 113 11.482 -3.519 -13.409 1.00 44.35 C ATOM 0 H VAL A 113 11.035 -6.087 -13.376 1.00 63.11 H new ATOM 0 HA VAL A 113 9.808 -4.500 -11.494 1.00 63.13 H new ATOM 0 HB VAL A 113 9.816 -4.234 -14.529 1.00 5.41 H new ATOM 0 HG11 VAL A 113 9.483 -1.828 -14.133 1.00 3.52 H new ATOM 0 HG12 VAL A 113 8.114 -2.794 -13.529 1.00 3.52 H new ATOM 0 HG13 VAL A 113 9.316 -2.143 -12.389 1.00 3.52 H new ATOM 0 HG21 VAL A 113 11.765 -2.776 -14.155 1.00 44.35 H new ATOM 0 HG22 VAL A 113 11.690 -3.130 -12.412 1.00 44.35 H new ATOM 0 HG23 VAL A 113 12.056 -4.431 -13.570 1.00 44.35 H new ATOM 1667 N GLU A 114 7.682 -6.024 -13.480 1.00 70.11 N ATOM 1668 CA GLU A 114 6.273 -6.340 -13.681 1.00 73.03 C ATOM 1669 C GLU A 114 5.678 -6.993 -12.437 1.00 4.14 C ATOM 1670 O GLU A 114 4.516 -6.765 -12.097 1.00 25.12 O ATOM 1671 CB GLU A 114 6.102 -7.266 -14.887 1.00 71.23 C ATOM 1672 CG GLU A 114 5.986 -6.528 -16.210 1.00 53.21 C ATOM 1673 CD GLU A 114 4.583 -6.013 -16.469 1.00 43.45 C ATOM 1674 OE1 GLU A 114 4.435 -4.802 -16.735 1.00 42.42 O ATOM 1675 OE2 GLU A 114 3.634 -6.822 -16.407 1.00 12.42 O ATOM 0 H GLU A 114 8.323 -6.562 -14.064 1.00 70.11 H new ATOM 0 HA GLU A 114 5.742 -5.407 -13.870 1.00 73.03 H new ATOM 0 HB2 GLU A 114 6.951 -7.948 -14.934 1.00 71.23 H new ATOM 0 HB3 GLU A 114 5.211 -7.877 -14.742 1.00 71.23 H new ATOM 0 HG2 GLU A 114 6.684 -5.691 -16.217 1.00 53.21 H new ATOM 0 HG3 GLU A 114 6.280 -7.195 -17.021 1.00 53.21 H new ATOM 1682 N LEU A 115 6.483 -7.806 -11.761 1.00 11.21 N ATOM 1683 CA LEU A 115 6.038 -8.493 -10.554 1.00 32.14 C ATOM 1684 C LEU A 115 5.823 -7.504 -9.412 1.00 60.50 C ATOM 1685 O LEU A 115 4.935 -7.685 -8.579 1.00 74.02 O ATOM 1686 CB LEU A 115 7.060 -9.553 -10.140 1.00 43.10 C ATOM 1687 CG LEU A 115 7.062 -10.841 -10.963 1.00 70.45 C ATOM 1688 CD1 LEU A 115 8.198 -11.753 -10.526 1.00 33.12 C ATOM 1689 CD2 LEU A 115 5.724 -11.556 -10.839 1.00 40.41 C ATOM 0 H LEU A 115 7.447 -8.005 -12.028 1.00 11.21 H new ATOM 0 HA LEU A 115 5.087 -8.980 -10.773 1.00 32.14 H new ATOM 0 HB2 LEU A 115 8.055 -9.110 -10.193 1.00 43.10 H new ATOM 0 HB3 LEU A 115 6.882 -9.813 -9.096 1.00 43.10 H new ATOM 0 HG LEU A 115 7.216 -10.579 -12.010 1.00 70.45 H new ATOM 0 HD11 LEU A 115 8.183 -12.665 -11.123 1.00 33.12 H new ATOM 0 HD12 LEU A 115 9.150 -11.242 -10.668 1.00 33.12 H new ATOM 0 HD13 LEU A 115 8.076 -12.007 -9.473 1.00 33.12 H new ATOM 0 HD21 LEU A 115 5.744 -12.471 -11.432 1.00 40.41 H new ATOM 0 HD22 LEU A 115 5.540 -11.805 -9.794 1.00 40.41 H new ATOM 0 HD23 LEU A 115 4.929 -10.905 -11.203 1.00 40.41 H new ATOM 1701 N VAL A 116 6.642 -6.458 -9.381 1.00 14.52 N ATOM 1702 CA VAL A 116 6.539 -5.438 -8.344 1.00 3.14 C ATOM 1703 C VAL A 116 5.481 -4.399 -8.697 1.00 3.30 C ATOM 1704 O VAL A 116 4.802 -3.867 -7.820 1.00 12.23 O ATOM 1705 CB VAL A 116 7.887 -4.727 -8.121 1.00 3.22 C ATOM 1706 CG1 VAL A 116 7.813 -3.808 -6.911 1.00 21.44 C ATOM 1707 CG2 VAL A 116 9.006 -5.745 -7.960 1.00 1.10 C ATOM 0 H VAL A 116 7.384 -6.294 -10.062 1.00 14.52 H new ATOM 0 HA VAL A 116 6.249 -5.949 -7.426 1.00 3.14 H new ATOM 0 HB VAL A 116 8.105 -4.117 -8.997 1.00 3.22 H new ATOM 0 HG11 VAL A 116 8.775 -3.315 -6.769 1.00 21.44 H new ATOM 0 HG12 VAL A 116 7.040 -3.057 -7.071 1.00 21.44 H new ATOM 0 HG13 VAL A 116 7.572 -4.393 -6.024 1.00 21.44 H new ATOM 0 HG21 VAL A 116 9.951 -5.225 -7.803 1.00 1.10 H new ATOM 0 HG22 VAL A 116 8.796 -6.383 -7.102 1.00 1.10 H new ATOM 0 HG23 VAL A 116 9.073 -6.357 -8.859 1.00 1.10 H new ATOM 1717 N ALA A 117 5.347 -4.115 -9.988 1.00 40.53 N ATOM 1718 CA ALA A 117 4.370 -3.141 -10.459 1.00 12.34 C ATOM 1719 C ALA A 117 2.987 -3.430 -9.885 1.00 73.12 C ATOM 1720 O ALA A 117 2.364 -2.564 -9.270 1.00 11.11 O ATOM 1721 CB ALA A 117 4.322 -3.133 -11.979 1.00 71.13 C ATOM 0 H ALA A 117 5.903 -4.546 -10.727 1.00 40.53 H new ATOM 0 HA ALA A 117 4.680 -2.155 -10.112 1.00 12.34 H new ATOM 0 HB1 ALA A 117 3.588 -2.401 -12.316 1.00 71.13 H new ATOM 0 HB2 ALA A 117 5.304 -2.870 -12.373 1.00 71.13 H new ATOM 0 HB3 ALA A 117 4.040 -4.122 -12.339 1.00 71.13 H new ATOM 1727 N THR A 118 2.510 -4.654 -10.091 1.00 52.13 N ATOM 1728 CA THR A 118 1.199 -5.057 -9.597 1.00 5.13 C ATOM 1729 C THR A 118 1.053 -4.745 -8.112 1.00 33.33 C ATOM 1730 O THR A 118 -0.033 -4.400 -7.644 1.00 11.23 O ATOM 1731 CB THR A 118 0.952 -6.561 -9.821 1.00 5.30 C ATOM 1732 OG1 THR A 118 -0.365 -6.911 -9.383 1.00 70.33 O ATOM 1733 CG2 THR A 118 1.980 -7.395 -9.072 1.00 22.52 C ATOM 0 H THR A 118 3.012 -5.383 -10.597 1.00 52.13 H new ATOM 0 HA THR A 118 0.460 -4.488 -10.160 1.00 5.13 H new ATOM 0 HB THR A 118 1.047 -6.768 -10.887 1.00 5.30 H new ATOM 0 HG1 THR A 118 -0.515 -7.868 -9.530 1.00 70.33 H new ATOM 0 HG21 THR A 118 1.786 -8.453 -9.245 1.00 22.52 H new ATOM 0 HG22 THR A 118 2.980 -7.147 -9.429 1.00 22.52 H new ATOM 0 HG23 THR A 118 1.912 -7.183 -8.005 1.00 22.52 H new ATOM 1741 N LEU A 119 2.151 -4.869 -7.375 1.00 0.51 N ATOM 1742 CA LEU A 119 2.145 -4.599 -5.941 1.00 52.12 C ATOM 1743 C LEU A 119 2.081 -3.099 -5.669 1.00 75.43 C ATOM 1744 O LEU A 119 1.309 -2.644 -4.825 1.00 23.01 O ATOM 1745 CB LEU A 119 3.391 -5.195 -5.285 1.00 4.22 C ATOM 1746 CG LEU A 119 3.795 -6.592 -5.756 1.00 62.32 C ATOM 1747 CD1 LEU A 119 5.109 -7.013 -5.115 1.00 52.25 C ATOM 1748 CD2 LEU A 119 2.699 -7.599 -5.440 1.00 70.30 C ATOM 0 H LEU A 119 3.057 -5.155 -7.746 1.00 0.51 H new ATOM 0 HA LEU A 119 1.258 -5.065 -5.512 1.00 52.12 H new ATOM 0 HB2 LEU A 119 4.228 -4.519 -5.460 1.00 4.22 H new ATOM 0 HB3 LEU A 119 3.229 -5.230 -4.208 1.00 4.22 H new ATOM 0 HG LEU A 119 3.934 -6.564 -6.837 1.00 62.32 H new ATOM 0 HD11 LEU A 119 5.380 -8.010 -5.462 1.00 52.25 H new ATOM 0 HD12 LEU A 119 5.892 -6.307 -5.392 1.00 52.25 H new ATOM 0 HD13 LEU A 119 4.998 -7.024 -4.031 1.00 52.25 H new ATOM 0 HD21 LEU A 119 3.004 -8.588 -5.782 1.00 70.30 H new ATOM 0 HD22 LEU A 119 2.528 -7.624 -4.364 1.00 70.30 H new ATOM 0 HD23 LEU A 119 1.779 -7.307 -5.947 1.00 70.30 H new ATOM 1760 N SER A 120 2.894 -2.337 -6.392 1.00 45.32 N ATOM 1761 CA SER A 120 2.931 -0.888 -6.228 1.00 64.30 C ATOM 1762 C SER A 120 1.592 -0.264 -6.608 1.00 31.24 C ATOM 1763 O SER A 120 1.151 0.705 -5.992 1.00 15.14 O ATOM 1764 CB SER A 120 4.048 -0.285 -7.082 1.00 62.22 C ATOM 1765 OG SER A 120 3.604 -0.044 -8.406 1.00 61.52 O ATOM 0 H SER A 120 3.536 -2.698 -7.097 1.00 45.32 H new ATOM 0 HA SER A 120 3.129 -0.671 -5.178 1.00 64.30 H new ATOM 0 HB2 SER A 120 4.389 0.648 -6.634 1.00 62.22 H new ATOM 0 HB3 SER A 120 4.903 -0.961 -7.099 1.00 62.22 H new ATOM 0 HG SER A 120 3.163 -0.847 -8.754 1.00 61.52 H new