USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 290 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 Single : A 1 ASP N :NH3+ 160:sc= 0.48 (180deg=0.0516) USER MOD Single : A 6 HIS : no HD1:sc= -0.652 X(o=-0.65,f=-0.85) USER MOD Single : A 8 SER OG : rot 42:sc= 0.356 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0.0054) USER MOD Single : A 14 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 15 GLN : amide:sc= -0.0457 K(o=-0.046,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.385 -0.696 -3.408 1.00 72.10 N ATOM 2 CA ASP A 1 4.154 -0.969 -2.675 1.00 71.11 C ATOM 3 C ASP A 1 3.090 0.078 -2.990 1.00 4.32 C ATOM 4 O ASP A 1 2.239 0.383 -2.155 1.00 22.10 O ATOM 5 CB ASP A 1 4.427 -1.000 -1.171 1.00 23.44 C ATOM 6 CG ASP A 1 5.299 -2.173 -0.765 1.00 12.33 C ATOM 7 OD1 ASP A 1 6.430 -2.279 -1.284 1.00 20.15 O ATOM 8 OD2 ASP A 1 4.850 -2.983 0.072 1.00 20.23 O ATOM 0 H1 ASP A 1 6.179 -1.185 -2.948 1.00 72.10 H new ATOM 0 H2 ASP A 1 5.289 -1.036 -4.386 1.00 72.10 H new ATOM 0 H3 ASP A 1 5.566 0.328 -3.414 1.00 72.10 H new ATOM 0 HA ASP A 1 3.782 -1.944 -2.989 1.00 71.11 H new ATOM 0 HB2 ASP A 1 4.912 -0.070 -0.873 1.00 23.44 H new ATOM 0 HB3 ASP A 1 3.480 -1.052 -0.634 1.00 23.44 H new ATOM 13 N ALA A 2 3.147 0.627 -4.199 1.00 73.41 N ATOM 14 CA ALA A 2 2.188 1.639 -4.624 1.00 41.02 C ATOM 15 C ALA A 2 1.280 1.106 -5.727 1.00 52.32 C ATOM 16 O ALA A 2 1.454 -0.017 -6.198 1.00 32.34 O ATOM 17 CB ALA A 2 2.915 2.890 -5.095 1.00 24.21 C ATOM 0 H ALA A 2 3.847 0.388 -4.901 1.00 73.41 H new ATOM 0 HA ALA A 2 1.564 1.895 -3.768 1.00 41.02 H new ATOM 0 HB1 ALA A 2 2.187 3.637 -5.409 1.00 24.21 H new ATOM 0 HB2 ALA A 2 3.516 3.290 -4.279 1.00 24.21 H new ATOM 0 HB3 ALA A 2 3.563 2.640 -5.935 1.00 24.21 H new ATOM 23 N GLU A 3 0.311 1.920 -6.134 1.00 53.22 N ATOM 24 CA GLU A 3 -0.626 1.528 -7.181 1.00 44.41 C ATOM 25 C GLU A 3 -0.451 2.401 -8.421 1.00 74.20 C ATOM 26 O GLU A 3 -0.580 3.624 -8.357 1.00 32.54 O ATOM 27 CB GLU A 3 -2.065 1.628 -6.672 1.00 71.02 C ATOM 28 CG GLU A 3 -2.549 0.373 -5.965 1.00 4.34 C ATOM 29 CD GLU A 3 -2.975 -0.714 -6.932 1.00 33.15 C ATOM 30 OE1 GLU A 3 -3.319 -0.380 -8.085 1.00 21.11 O ATOM 31 OE2 GLU A 3 -2.966 -1.898 -6.535 1.00 62.25 O ATOM 0 H GLU A 3 0.154 2.854 -5.755 1.00 53.22 H new ATOM 0 HA GLU A 3 -0.416 0.494 -7.453 1.00 44.41 H new ATOM 0 HB2 GLU A 3 -2.142 2.473 -5.988 1.00 71.02 H new ATOM 0 HB3 GLU A 3 -2.725 1.839 -7.513 1.00 71.02 H new ATOM 0 HG2 GLU A 3 -1.754 -0.008 -5.324 1.00 4.34 H new ATOM 0 HG3 GLU A 3 -3.388 0.626 -5.317 1.00 4.34 H new ATOM 38 N PHE A 4 -0.157 1.763 -9.549 1.00 52.12 N ATOM 39 CA PHE A 4 0.037 2.480 -10.804 1.00 74.13 C ATOM 40 C PHE A 4 -1.179 2.323 -11.714 1.00 22.25 C ATOM 41 O PHE A 4 -1.496 3.213 -12.503 1.00 62.41 O ATOM 42 CB PHE A 4 1.291 1.971 -11.518 1.00 52.52 C ATOM 43 CG PHE A 4 1.123 0.608 -12.127 1.00 2.54 C ATOM 44 CD1 PHE A 4 1.294 -0.533 -11.360 1.00 14.23 C ATOM 45 CD2 PHE A 4 0.796 0.469 -13.466 1.00 31.43 C ATOM 46 CE1 PHE A 4 1.140 -1.789 -11.916 1.00 51.43 C ATOM 47 CE2 PHE A 4 0.640 -0.784 -14.028 1.00 24.53 C ATOM 48 CZ PHE A 4 0.814 -1.914 -13.252 1.00 72.44 C ATOM 0 H PHE A 4 -0.048 0.751 -9.620 1.00 52.12 H new ATOM 0 HA PHE A 4 0.162 3.538 -10.573 1.00 74.13 H new ATOM 0 HB2 PHE A 4 1.566 2.678 -12.300 1.00 52.52 H new ATOM 0 HB3 PHE A 4 2.118 1.944 -10.808 1.00 52.52 H new ATOM 0 HD1 PHE A 4 1.551 -0.440 -10.315 1.00 14.23 H new ATOM 0 HD2 PHE A 4 0.662 1.349 -14.077 1.00 31.43 H new ATOM 0 HE1 PHE A 4 1.274 -2.671 -11.307 1.00 51.43 H new ATOM 0 HE2 PHE A 4 0.382 -0.880 -15.072 1.00 24.53 H new ATOM 0 HZ PHE A 4 0.695 -2.894 -13.690 1.00 72.44 H new ATOM 58 N ARG A 5 -1.855 1.185 -11.596 1.00 63.44 N ATOM 59 CA ARG A 5 -3.034 0.909 -12.408 1.00 41.23 C ATOM 60 C ARG A 5 -4.038 2.054 -12.315 1.00 1.51 C ATOM 61 O ARG A 5 -4.467 2.430 -11.224 1.00 1.55 O ATOM 62 CB ARG A 5 -3.692 -0.398 -11.963 1.00 12.12 C ATOM 63 CG ARG A 5 -2.983 -1.642 -12.473 1.00 54.35 C ATOM 64 CD ARG A 5 -3.915 -2.843 -12.499 1.00 34.11 C ATOM 65 NE ARG A 5 -3.519 -3.822 -13.508 1.00 54.31 N ATOM 66 CZ ARG A 5 -3.964 -5.073 -13.533 1.00 32.14 C ATOM 67 NH1 ARG A 5 -4.816 -5.496 -12.608 1.00 43.33 N ATOM 68 NH2 ARG A 5 -3.558 -5.905 -14.483 1.00 44.44 N ATOM 0 H ARG A 5 -1.606 0.439 -10.946 1.00 63.44 H new ATOM 0 HA ARG A 5 -2.715 0.812 -13.446 1.00 41.23 H new ATOM 0 HB2 ARG A 5 -3.721 -0.428 -10.874 1.00 12.12 H new ATOM 0 HB3 ARG A 5 -4.725 -0.411 -12.310 1.00 12.12 H new ATOM 0 HG2 ARG A 5 -2.598 -1.457 -13.476 1.00 54.35 H new ATOM 0 HG3 ARG A 5 -2.125 -1.860 -11.837 1.00 54.35 H new ATOM 0 HD2 ARG A 5 -3.923 -3.317 -11.518 1.00 34.11 H new ATOM 0 HD3 ARG A 5 -4.933 -2.508 -12.699 1.00 34.11 H new ATOM 0 HE ARG A 5 -2.865 -3.529 -14.233 1.00 54.31 H new ATOM 0 HH11 ARG A 5 -5.131 -4.860 -11.875 1.00 43.33 H new ATOM 0 HH12 ARG A 5 -5.156 -6.457 -12.629 1.00 43.33 H new ATOM 0 HH21 ARG A 5 -2.903 -5.584 -15.196 1.00 44.44 H new ATOM 0 HH22 ARG A 5 -3.901 -6.865 -14.500 1.00 44.44 H new ATOM 82 N HIS A 6 -4.408 2.606 -13.467 1.00 30.45 N ATOM 83 CA HIS A 6 -5.362 3.708 -13.515 1.00 3.23 C ATOM 84 C HIS A 6 -6.083 3.745 -14.859 1.00 25.41 C ATOM 85 O HIS A 6 -5.748 2.993 -15.774 1.00 65.35 O ATOM 86 CB HIS A 6 -4.649 5.038 -13.269 1.00 45.21 C ATOM 87 CG HIS A 6 -3.432 5.232 -14.121 1.00 22.42 C ATOM 88 ND1 HIS A 6 -2.234 5.704 -13.626 1.00 73.33 N ATOM 89 CD2 HIS A 6 -3.232 5.012 -15.441 1.00 45.23 C ATOM 90 CE1 HIS A 6 -1.351 5.768 -14.606 1.00 64.11 C ATOM 91 NE2 HIS A 6 -1.930 5.353 -15.718 1.00 54.30 N ATOM 0 H HIS A 6 -4.062 2.308 -14.379 1.00 30.45 H new ATOM 0 HA HIS A 6 -6.102 3.550 -12.730 1.00 3.23 H new ATOM 0 HB2 HIS A 6 -5.347 5.855 -13.455 1.00 45.21 H new ATOM 0 HB3 HIS A 6 -4.361 5.098 -12.219 1.00 45.21 H new ATOM 0 HD2 HIS A 6 -3.960 4.638 -16.146 1.00 45.23 H new ATOM 0 HE1 HIS A 6 -0.328 6.103 -14.514 1.00 64.11 H new ATOM 0 HE2 HIS A 6 -1.484 5.295 -16.633 1.00 54.30 H new ATOM 99 N ASP A 7 -7.073 4.622 -14.970 1.00 15.44 N ATOM 100 CA ASP A 7 -7.842 4.757 -16.202 1.00 24.11 C ATOM 101 C ASP A 7 -6.924 5.051 -17.385 1.00 32.12 C ATOM 102 O ASP A 7 -5.826 5.581 -17.215 1.00 32.22 O ATOM 103 CB ASP A 7 -8.883 5.868 -16.060 1.00 72.10 C ATOM 104 CG ASP A 7 -10.029 5.716 -17.041 1.00 43.35 C ATOM 105 OD1 ASP A 7 -10.253 4.585 -17.522 1.00 14.33 O ATOM 106 OD2 ASP A 7 -10.701 6.728 -17.329 1.00 11.43 O ATOM 0 H ASP A 7 -7.363 5.251 -14.221 1.00 15.44 H new ATOM 0 HA ASP A 7 -8.354 3.813 -16.387 1.00 24.11 H new ATOM 0 HB2 ASP A 7 -9.276 5.866 -15.043 1.00 72.10 H new ATOM 0 HB3 ASP A 7 -8.402 6.834 -16.214 1.00 72.10 H new ATOM 111 N SER A 8 -7.382 4.702 -18.583 1.00 42.20 N ATOM 112 CA SER A 8 -6.600 4.924 -19.794 1.00 13.10 C ATOM 113 C SER A 8 -6.199 6.391 -19.920 1.00 70.45 C ATOM 114 O SER A 8 -7.031 7.251 -20.207 1.00 24.15 O ATOM 115 CB SER A 8 -7.397 4.493 -21.027 1.00 13.52 C ATOM 116 OG SER A 8 -8.682 5.091 -21.038 1.00 12.04 O ATOM 0 H SER A 8 -8.290 4.265 -18.741 1.00 42.20 H new ATOM 0 HA SER A 8 -5.694 4.322 -19.728 1.00 13.10 H new ATOM 0 HB2 SER A 8 -6.855 4.772 -21.930 1.00 13.52 H new ATOM 0 HB3 SER A 8 -7.497 3.408 -21.038 1.00 13.52 H new ATOM 0 HG SER A 8 -8.609 6.029 -20.764 1.00 12.04 H new ATOM 122 N GLY A 9 -4.917 6.668 -19.705 1.00 25.44 N ATOM 123 CA GLY A 9 -4.426 8.030 -19.799 1.00 0.25 C ATOM 124 C GLY A 9 -4.723 8.662 -21.144 1.00 32.00 C ATOM 125 O GLY A 9 -5.458 9.647 -21.227 1.00 22.44 O ATOM 0 H GLY A 9 -4.209 5.973 -19.467 1.00 25.44 H new ATOM 0 HA2 GLY A 9 -4.879 8.631 -19.011 1.00 0.25 H new ATOM 0 HA3 GLY A 9 -3.350 8.038 -19.627 1.00 0.25 H new ATOM 129 N TYR A 10 -4.150 8.096 -22.201 1.00 13.54 N ATOM 130 CA TYR A 10 -4.354 8.613 -23.549 1.00 15.23 C ATOM 131 C TYR A 10 -3.976 7.570 -24.595 1.00 71.33 C ATOM 132 O TYR A 10 -3.419 6.522 -24.269 1.00 43.21 O ATOM 133 CB TYR A 10 -3.532 9.885 -23.760 1.00 3.31 C ATOM 134 CG TYR A 10 -4.133 10.834 -24.772 1.00 0.33 C ATOM 135 CD1 TYR A 10 -5.349 11.461 -24.528 1.00 73.45 C ATOM 136 CD2 TYR A 10 -3.486 11.104 -25.971 1.00 43.11 C ATOM 137 CE1 TYR A 10 -5.903 12.328 -25.450 1.00 71.02 C ATOM 138 CE2 TYR A 10 -4.031 11.971 -26.898 1.00 12.11 C ATOM 139 CZ TYR A 10 -5.240 12.580 -26.633 1.00 40.41 C ATOM 140 OH TYR A 10 -5.787 13.444 -27.554 1.00 74.44 O ATOM 0 H TYR A 10 -3.541 7.279 -22.150 1.00 13.54 H new ATOM 0 HA TYR A 10 -5.412 8.849 -23.664 1.00 15.23 H new ATOM 0 HB2 TYR A 10 -3.428 10.403 -22.806 1.00 3.31 H new ATOM 0 HB3 TYR A 10 -2.529 9.609 -24.084 1.00 3.31 H new ATOM 0 HD1 TYR A 10 -5.870 11.267 -23.602 1.00 73.45 H new ATOM 0 HD2 TYR A 10 -2.540 10.628 -26.182 1.00 43.11 H new ATOM 0 HE1 TYR A 10 -6.850 12.806 -25.246 1.00 71.02 H new ATOM 0 HE2 TYR A 10 -3.514 12.171 -27.825 1.00 12.11 H new ATOM 0 HH TYR A 10 -5.194 13.512 -28.331 1.00 74.44 H new ATOM 150 N GLU A 11 -4.283 7.865 -25.854 1.00 52.44 N ATOM 151 CA GLU A 11 -3.976 6.953 -26.950 1.00 3.05 C ATOM 152 C GLU A 11 -2.505 7.054 -27.345 1.00 32.20 C ATOM 153 O GLU A 11 -1.998 6.231 -28.107 1.00 40.04 O ATOM 154 CB GLU A 11 -4.862 7.256 -28.159 1.00 74.32 C ATOM 155 CG GLU A 11 -4.760 8.692 -28.645 1.00 34.15 C ATOM 156 CD GLU A 11 -6.111 9.288 -28.991 1.00 20.10 C ATOM 157 OE1 GLU A 11 -6.749 9.875 -28.092 1.00 74.45 O ATOM 158 OE2 GLU A 11 -6.529 9.168 -30.162 1.00 31.43 O ATOM 0 H GLU A 11 -4.744 8.728 -26.141 1.00 52.44 H new ATOM 0 HA GLU A 11 -4.175 5.937 -26.610 1.00 3.05 H new ATOM 0 HB2 GLU A 11 -4.591 6.585 -28.974 1.00 74.32 H new ATOM 0 HB3 GLU A 11 -5.899 7.042 -27.901 1.00 74.32 H new ATOM 0 HG2 GLU A 11 -4.286 9.300 -27.874 1.00 34.15 H new ATOM 0 HG3 GLU A 11 -4.115 8.730 -29.523 1.00 34.15 H new ATOM 165 N VAL A 12 -1.826 8.069 -26.821 1.00 41.32 N ATOM 166 CA VAL A 12 -0.414 8.279 -27.118 1.00 61.42 C ATOM 167 C VAL A 12 0.392 7.006 -26.882 1.00 11.22 C ATOM 168 O VAL A 12 0.521 6.542 -25.749 1.00 25.05 O ATOM 169 CB VAL A 12 0.177 9.414 -26.262 1.00 44.20 C ATOM 170 CG1 VAL A 12 -0.085 9.162 -24.785 1.00 71.12 C ATOM 171 CG2 VAL A 12 1.668 9.562 -26.529 1.00 73.24 C ATOM 0 H VAL A 12 -2.231 8.759 -26.188 1.00 41.32 H new ATOM 0 HA VAL A 12 -0.350 8.557 -28.170 1.00 61.42 H new ATOM 0 HB VAL A 12 -0.314 10.347 -26.539 1.00 44.20 H new ATOM 0 HG11 VAL A 12 0.340 9.975 -24.196 1.00 71.12 H new ATOM 0 HG12 VAL A 12 -1.160 9.110 -24.610 1.00 71.12 H new ATOM 0 HG13 VAL A 12 0.376 8.220 -24.489 1.00 71.12 H new ATOM 0 HG21 VAL A 12 2.069 10.369 -25.916 1.00 73.24 H new ATOM 0 HG22 VAL A 12 2.176 8.630 -26.281 1.00 73.24 H new ATOM 0 HG23 VAL A 12 1.828 9.793 -27.582 1.00 73.24 H new ATOM 181 N HIS A 13 0.933 6.446 -27.959 1.00 51.01 N ATOM 182 CA HIS A 13 1.728 5.227 -27.869 1.00 61.40 C ATOM 183 C HIS A 13 3.017 5.475 -27.091 1.00 33.43 C ATOM 184 O HIS A 13 3.609 4.547 -26.538 1.00 34.20 O ATOM 185 CB HIS A 13 2.056 4.702 -29.267 1.00 60.02 C ATOM 186 CG HIS A 13 0.962 3.873 -29.868 1.00 5.23 C ATOM 187 ND1 HIS A 13 1.170 2.995 -30.910 1.00 52.14 N ATOM 188 CD2 HIS A 13 -0.354 3.791 -29.565 1.00 12.21 C ATOM 189 CE1 HIS A 13 0.028 2.410 -31.224 1.00 54.12 C ATOM 190 NE2 HIS A 13 -0.913 2.875 -30.422 1.00 40.41 N ATOM 0 H HIS A 13 0.835 6.817 -28.904 1.00 51.01 H new ATOM 0 HA HIS A 13 1.141 4.479 -27.337 1.00 61.40 H new ATOM 0 HB2 HIS A 13 2.263 5.547 -29.924 1.00 60.02 H new ATOM 0 HB3 HIS A 13 2.967 4.106 -29.218 1.00 60.02 H new ATOM 0 HD2 HIS A 13 -0.869 4.343 -28.793 1.00 12.21 H new ATOM 0 HE1 HIS A 13 -0.112 1.676 -32.004 1.00 54.12 H new ATOM 0 HE2 HIS A 13 -1.895 2.599 -30.437 1.00 40.41 H new ATOM 198 N HIS A 14 3.447 6.732 -27.052 1.00 74.12 N ATOM 199 CA HIS A 14 4.666 7.102 -26.342 1.00 35.44 C ATOM 200 C HIS A 14 4.560 6.749 -24.861 1.00 74.10 C ATOM 201 O HIS A 14 5.570 6.623 -24.170 1.00 63.54 O ATOM 202 CB HIS A 14 4.942 8.597 -26.503 1.00 75.21 C ATOM 203 CG HIS A 14 4.884 9.066 -27.924 1.00 45.32 C ATOM 204 ND1 HIS A 14 4.193 10.193 -28.317 1.00 65.04 N ATOM 205 CD2 HIS A 14 5.439 8.556 -29.048 1.00 62.43 C ATOM 206 CE1 HIS A 14 4.324 10.354 -29.622 1.00 61.11 C ATOM 207 NE2 HIS A 14 5.076 9.374 -30.090 1.00 31.34 N ATOM 0 H HIS A 14 2.969 7.512 -27.504 1.00 74.12 H new ATOM 0 HA HIS A 14 5.494 6.539 -26.774 1.00 35.44 H new ATOM 0 HB2 HIS A 14 4.216 9.158 -25.914 1.00 75.21 H new ATOM 0 HB3 HIS A 14 5.927 8.823 -26.094 1.00 75.21 H new ATOM 0 HD2 HIS A 14 6.053 7.670 -29.114 1.00 62.43 H new ATOM 0 HE1 HIS A 14 3.890 11.152 -30.207 1.00 61.11 H new ATOM 0 HE2 HIS A 14 5.343 9.246 -31.066 1.00 31.34 H new ATOM 215 N GLN A 15 3.330 6.592 -24.381 1.00 51.35 N ATOM 216 CA GLN A 15 3.093 6.256 -22.983 1.00 21.33 C ATOM 217 C GLN A 15 3.406 4.787 -22.716 1.00 1.14 C ATOM 218 O GLN A 15 3.382 4.334 -21.571 1.00 55.01 O ATOM 219 CB GLN A 15 1.643 6.558 -22.602 1.00 33.21 C ATOM 220 CG GLN A 15 0.686 5.413 -22.894 1.00 1.12 C ATOM 221 CD GLN A 15 -0.767 5.844 -22.860 1.00 30.22 C ATOM 222 OE1 GLN A 15 -1.072 7.034 -22.774 1.00 70.31 O ATOM 223 NE2 GLN A 15 -1.673 4.876 -22.927 1.00 35.31 N ATOM 0 H GLN A 15 2.483 6.692 -24.940 1.00 51.35 H new ATOM 0 HA GLN A 15 3.756 6.867 -22.371 1.00 21.33 H new ATOM 0 HB2 GLN A 15 1.597 6.797 -21.539 1.00 33.21 H new ATOM 0 HB3 GLN A 15 1.311 7.445 -23.142 1.00 33.21 H new ATOM 0 HG2 GLN A 15 0.914 4.995 -23.874 1.00 1.12 H new ATOM 0 HG3 GLN A 15 0.843 4.619 -22.164 1.00 1.12 H new ATOM 0 HE21 GLN A 15 -1.375 3.903 -22.997 1.00 35.31 H new ATOM 0 HE22 GLN A 15 -2.667 5.105 -22.908 1.00 35.31 H new ATOM 232 N LYS A 16 3.700 4.047 -23.779 1.00 50.13 N ATOM 233 CA LYS A 16 4.019 2.629 -23.661 1.00 51.21 C ATOM 234 C LYS A 16 5.111 2.402 -22.620 1.00 53.14 C ATOM 235 O LYS A 16 5.213 1.321 -22.039 1.00 11.24 O ATOM 236 CB LYS A 16 4.465 2.071 -25.014 1.00 43.33 C ATOM 237 CG LYS A 16 4.552 0.555 -25.048 1.00 42.34 C ATOM 238 CD LYS A 16 5.927 0.066 -24.626 1.00 22.15 C ATOM 239 CE LYS A 16 5.832 -1.172 -23.747 1.00 63.32 C ATOM 240 NZ LYS A 16 5.634 -2.409 -24.552 1.00 64.51 N ATOM 0 H LYS A 16 3.724 4.406 -24.733 1.00 50.13 H new ATOM 0 HA LYS A 16 3.119 2.105 -23.338 1.00 51.21 H new ATOM 0 HB2 LYS A 16 3.767 2.404 -25.783 1.00 43.33 H new ATOM 0 HB3 LYS A 16 5.440 2.488 -25.266 1.00 43.33 H new ATOM 0 HG2 LYS A 16 3.796 0.131 -24.387 1.00 42.34 H new ATOM 0 HG3 LYS A 16 4.331 0.199 -26.054 1.00 42.34 H new ATOM 0 HD2 LYS A 16 6.522 -0.160 -25.511 1.00 22.15 H new ATOM 0 HD3 LYS A 16 6.446 0.858 -24.086 1.00 22.15 H new ATOM 0 HE2 LYS A 16 6.741 -1.267 -23.153 1.00 63.32 H new ATOM 0 HE3 LYS A 16 5.004 -1.058 -23.047 1.00 63.32 H new ATOM 0 HZ1 LYS A 16 5.574 -3.231 -23.917 1.00 64.51 H new ATOM 0 HZ2 LYS A 16 4.753 -2.330 -25.100 1.00 64.51 H new ATOM 0 HZ3 LYS A 16 6.436 -2.532 -25.202 1.00 64.51 H new ATOM 254 N LEU A 17 5.924 3.427 -22.389 1.00 73.14 N ATOM 255 CA LEU A 17 7.008 3.340 -21.417 1.00 34.51 C ATOM 256 C LEU A 17 6.473 2.966 -20.038 1.00 2.41 C ATOM 257 O LEU A 17 7.214 2.479 -19.184 1.00 63.23 O ATOM 258 CB LEU A 17 7.761 4.669 -21.342 1.00 75.01 C ATOM 259 CG LEU A 17 8.506 4.946 -20.036 1.00 70.30 C ATOM 260 CD1 LEU A 17 9.743 5.791 -20.296 1.00 64.43 C ATOM 261 CD2 LEU A 17 7.590 5.633 -19.034 1.00 74.02 C ATOM 0 H LEU A 17 5.853 4.328 -22.862 1.00 73.14 H new ATOM 0 HA LEU A 17 7.695 2.559 -21.744 1.00 34.51 H new ATOM 0 HB2 LEU A 17 8.480 4.703 -22.161 1.00 75.01 H new ATOM 0 HB3 LEU A 17 7.049 5.477 -21.509 1.00 75.01 H new ATOM 0 HG LEU A 17 8.824 3.993 -19.613 1.00 70.30 H new ATOM 0 HD11 LEU A 17 10.260 5.978 -19.355 1.00 64.43 H new ATOM 0 HD12 LEU A 17 10.409 5.261 -20.977 1.00 64.43 H new ATOM 0 HD13 LEU A 17 9.448 6.740 -20.743 1.00 64.43 H new ATOM 0 HD21 LEU A 17 8.138 5.822 -18.111 1.00 74.02 H new ATOM 0 HD22 LEU A 17 7.241 6.578 -19.449 1.00 74.02 H new ATOM 0 HD23 LEU A 17 6.735 4.991 -18.823 1.00 74.02 H new ATOM 273 N VAL A 18 5.181 3.197 -19.827 1.00 41.13 N ATOM 274 CA VAL A 18 4.546 2.882 -18.553 1.00 40.22 C ATOM 275 C VAL A 18 4.751 1.417 -18.184 1.00 53.23 C ATOM 276 O VAL A 18 4.637 1.038 -17.019 1.00 32.53 O ATOM 277 CB VAL A 18 3.036 3.185 -18.589 1.00 3.35 C ATOM 278 CG1 VAL A 18 2.356 2.385 -19.689 1.00 24.32 C ATOM 279 CG2 VAL A 18 2.403 2.894 -17.237 1.00 30.45 C ATOM 0 H VAL A 18 4.554 3.601 -20.522 1.00 41.13 H new ATOM 0 HA VAL A 18 5.018 3.513 -17.799 1.00 40.22 H new ATOM 0 HB VAL A 18 2.901 4.244 -18.808 1.00 3.35 H new ATOM 0 HG11 VAL A 18 1.290 2.613 -19.699 1.00 24.32 H new ATOM 0 HG12 VAL A 18 2.792 2.648 -20.653 1.00 24.32 H new ATOM 0 HG13 VAL A 18 2.498 1.320 -19.505 1.00 24.32 H new ATOM 0 HG21 VAL A 18 1.336 3.113 -17.280 1.00 30.45 H new ATOM 0 HG22 VAL A 18 2.548 1.843 -16.986 1.00 30.45 H new ATOM 0 HG23 VAL A 18 2.871 3.517 -16.475 1.00 30.45 H new ATOM 289 N PHE A 19 5.054 0.598 -19.185 1.00 71.54 N ATOM 290 CA PHE A 19 5.274 -0.827 -18.967 1.00 24.32 C ATOM 291 C PHE A 19 6.253 -1.056 -17.818 1.00 72.45 C ATOM 292 O PHE A 19 6.181 -2.067 -17.119 1.00 14.23 O ATOM 293 CB PHE A 19 5.805 -1.484 -20.243 1.00 21.54 C ATOM 294 CG PHE A 19 7.284 -1.308 -20.437 1.00 70.22 C ATOM 295 CD1 PHE A 19 7.806 -0.079 -20.807 1.00 32.20 C ATOM 296 CD2 PHE A 19 8.152 -2.372 -20.251 1.00 2.12 C ATOM 297 CE1 PHE A 19 9.166 0.087 -20.987 1.00 23.45 C ATOM 298 CE2 PHE A 19 9.513 -2.212 -20.428 1.00 64.05 C ATOM 299 CZ PHE A 19 10.021 -0.982 -20.798 1.00 0.30 C ATOM 0 H PHE A 19 5.153 0.896 -20.155 1.00 71.54 H new ATOM 0 HA PHE A 19 4.319 -1.281 -18.704 1.00 24.32 H new ATOM 0 HB2 PHE A 19 5.574 -2.549 -20.217 1.00 21.54 H new ATOM 0 HB3 PHE A 19 5.282 -1.065 -21.103 1.00 21.54 H new ATOM 0 HD1 PHE A 19 7.142 0.759 -20.957 1.00 32.20 H new ATOM 0 HD2 PHE A 19 7.760 -3.337 -19.965 1.00 2.12 H new ATOM 0 HE1 PHE A 19 9.560 1.050 -21.275 1.00 23.45 H new ATOM 0 HE2 PHE A 19 10.179 -3.048 -20.277 1.00 64.05 H new ATOM 0 HZ PHE A 19 11.084 -0.856 -20.939 1.00 0.30 H new ATOM 309 N PHE A 20 7.168 -0.111 -17.631 1.00 53.01 N ATOM 310 CA PHE A 20 8.162 -0.209 -16.569 1.00 62.32 C ATOM 311 C PHE A 20 7.497 -0.492 -15.225 1.00 51.43 C ATOM 312 O PHE A 20 8.086 -1.125 -14.350 1.00 11.11 O ATOM 313 CB PHE A 20 8.979 1.082 -16.485 1.00 61.23 C ATOM 314 CG PHE A 20 8.333 2.146 -15.645 1.00 44.21 C ATOM 315 CD1 PHE A 20 7.141 2.731 -16.041 1.00 4.45 C ATOM 316 CD2 PHE A 20 8.919 2.562 -14.460 1.00 52.01 C ATOM 317 CE1 PHE A 20 6.544 3.711 -15.269 1.00 62.05 C ATOM 318 CE2 PHE A 20 8.326 3.541 -13.685 1.00 22.32 C ATOM 319 CZ PHE A 20 7.138 4.117 -14.091 1.00 22.25 C ATOM 0 H PHE A 20 7.242 0.732 -18.201 1.00 53.01 H new ATOM 0 HA PHE A 20 8.829 -1.038 -16.806 1.00 62.32 H new ATOM 0 HB2 PHE A 20 9.963 0.854 -16.075 1.00 61.23 H new ATOM 0 HB3 PHE A 20 9.135 1.470 -17.492 1.00 61.23 H new ATOM 0 HD1 PHE A 20 6.673 2.418 -16.963 1.00 4.45 H new ATOM 0 HD2 PHE A 20 9.849 2.117 -14.139 1.00 52.01 H new ATOM 0 HE1 PHE A 20 5.614 4.158 -15.588 1.00 62.05 H new ATOM 0 HE2 PHE A 20 8.791 3.855 -12.762 1.00 22.32 H new ATOM 0 HZ PHE A 20 6.675 4.884 -13.488 1.00 22.25 H new ATOM 329 N ALA A 21 6.266 -0.016 -15.070 1.00 34.10 N ATOM 330 CA ALA A 21 5.519 -0.218 -13.834 1.00 50.05 C ATOM 331 C ALA A 21 4.675 -1.486 -13.904 1.00 24.42 C ATOM 332 O ALA A 21 4.368 -2.094 -12.879 1.00 71.32 O ATOM 333 CB ALA A 21 4.638 0.989 -13.547 1.00 21.10 C ATOM 0 H ALA A 21 5.765 0.512 -15.784 1.00 34.10 H new ATOM 0 HA ALA A 21 6.235 -0.334 -13.020 1.00 50.05 H new ATOM 0 HB1 ALA A 21 4.086 0.825 -12.622 1.00 21.10 H new ATOM 0 HB2 ALA A 21 5.261 1.878 -13.445 1.00 21.10 H new ATOM 0 HB3 ALA A 21 3.935 1.130 -14.368 1.00 21.10 H new ATOM 339 N GLU A 22 4.304 -1.879 -15.118 1.00 63.24 N ATOM 340 CA GLU A 22 3.495 -3.075 -15.320 1.00 34.14 C ATOM 341 C GLU A 22 4.345 -4.336 -15.191 1.00 13.24 C ATOM 342 O GLU A 22 3.839 -5.407 -14.856 1.00 74.12 O ATOM 343 CB GLU A 22 2.823 -3.038 -16.694 1.00 31.01 C ATOM 344 CG GLU A 22 1.699 -4.048 -16.849 1.00 72.45 C ATOM 345 CD GLU A 22 2.158 -5.336 -17.505 1.00 63.11 C ATOM 346 OE1 GLU A 22 3.033 -5.271 -18.394 1.00 53.20 O ATOM 347 OE2 GLU A 22 1.643 -6.410 -17.128 1.00 50.43 O ATOM 0 H GLU A 22 4.551 -1.387 -15.977 1.00 63.24 H new ATOM 0 HA GLU A 22 2.726 -3.096 -14.548 1.00 34.14 H new ATOM 0 HB2 GLU A 22 2.428 -2.037 -16.869 1.00 31.01 H new ATOM 0 HB3 GLU A 22 3.574 -3.223 -17.462 1.00 31.01 H new ATOM 0 HG2 GLU A 22 1.280 -4.273 -15.868 1.00 72.45 H new ATOM 0 HG3 GLU A 22 0.899 -3.607 -17.443 1.00 72.45 H new ATOM 354 N ASP A 23 5.639 -4.200 -15.459 1.00 14.52 N ATOM 355 CA ASP A 23 6.560 -5.326 -15.373 1.00 21.43 C ATOM 356 C ASP A 23 7.371 -5.268 -14.082 1.00 43.31 C ATOM 357 O ASP A 23 8.539 -5.655 -14.052 1.00 65.15 O ATOM 358 CB ASP A 23 7.499 -5.338 -16.580 1.00 22.21 C ATOM 359 CG ASP A 23 8.130 -6.698 -16.809 1.00 41.53 C ATOM 360 OD1 ASP A 23 7.996 -7.570 -15.926 1.00 71.14 O ATOM 361 OD2 ASP A 23 8.759 -6.888 -17.872 1.00 31.55 O ATOM 0 H ASP A 23 6.074 -3.320 -15.738 1.00 14.52 H new ATOM 0 HA ASP A 23 5.973 -6.244 -15.371 1.00 21.43 H new ATOM 0 HB2 ASP A 23 6.945 -5.043 -17.471 1.00 22.21 H new ATOM 0 HB3 ASP A 23 8.284 -4.596 -16.433 1.00 22.21 H new ATOM 366 N VAL A 24 6.744 -4.779 -13.017 1.00 22.34 N ATOM 367 CA VAL A 24 7.407 -4.670 -11.723 1.00 3.42 C ATOM 368 C VAL A 24 7.444 -6.016 -11.008 1.00 44.23 C ATOM 369 O VAL A 24 8.345 -6.285 -10.215 1.00 2.43 O ATOM 370 CB VAL A 24 6.705 -3.640 -10.818 1.00 4.41 C ATOM 371 CG1 VAL A 24 6.852 -2.238 -11.391 1.00 33.05 C ATOM 372 CG2 VAL A 24 5.239 -4.001 -10.639 1.00 14.25 C ATOM 0 H VAL A 24 5.778 -4.452 -13.025 1.00 22.34 H new ATOM 0 HA VAL A 24 8.427 -4.338 -11.917 1.00 3.42 H new ATOM 0 HB VAL A 24 7.182 -3.658 -9.838 1.00 4.41 H new ATOM 0 HG11 VAL A 24 6.350 -1.524 -10.738 1.00 33.05 H new ATOM 0 HG12 VAL A 24 7.909 -1.983 -11.462 1.00 33.05 H new ATOM 0 HG13 VAL A 24 6.402 -2.201 -12.383 1.00 33.05 H new ATOM 0 HG21 VAL A 24 4.758 -3.263 -9.997 1.00 14.25 H new ATOM 0 HG22 VAL A 24 4.746 -4.013 -11.611 1.00 14.25 H new ATOM 0 HG23 VAL A 24 5.160 -4.987 -10.181 1.00 14.25 H new ATOM 382 N GLY A 25 6.458 -6.860 -11.296 1.00 43.02 N ATOM 383 CA GLY A 25 6.397 -8.169 -10.673 1.00 32.10 C ATOM 384 C GLY A 25 7.135 -9.226 -11.470 1.00 61.02 C ATOM 385 O GLY A 25 6.931 -9.359 -12.677 1.00 13.51 O ATOM 0 H GLY A 25 5.701 -6.661 -11.949 1.00 43.02 H new ATOM 0 HA2 GLY A 25 6.822 -8.111 -9.671 1.00 32.10 H new ATOM 0 HA3 GLY A 25 5.354 -8.466 -10.560 1.00 32.10 H new ATOM 389 N SER A 26 7.997 -9.979 -10.795 1.00 63.52 N ATOM 390 CA SER A 26 8.773 -11.027 -11.450 1.00 10.44 C ATOM 391 C SER A 26 8.358 -12.405 -10.946 1.00 21.54 C ATOM 392 O SER A 26 8.634 -12.770 -9.803 1.00 51.34 O ATOM 393 CB SER A 26 10.268 -10.811 -11.206 1.00 51.33 C ATOM 394 OG SER A 26 10.650 -9.484 -11.524 1.00 51.42 O ATOM 0 H SER A 26 8.176 -9.884 -9.795 1.00 63.52 H new ATOM 0 HA SER A 26 8.576 -10.976 -12.521 1.00 10.44 H new ATOM 0 HB2 SER A 26 10.503 -11.020 -10.163 1.00 51.33 H new ATOM 0 HB3 SER A 26 10.843 -11.513 -11.810 1.00 51.33 H new ATOM 0 HG SER A 26 11.609 -9.371 -11.358 1.00 51.42 H new ATOM 400 N ASN A 27 7.693 -13.168 -11.807 1.00 71.04 N ATOM 401 CA ASN A 27 7.238 -14.507 -11.451 1.00 25.15 C ATOM 402 C ASN A 27 8.398 -15.356 -10.938 1.00 72.54 C ATOM 403 O ASN A 27 9.411 -15.519 -11.619 1.00 31.42 O ATOM 404 CB ASN A 27 6.588 -15.186 -12.658 1.00 23.24 C ATOM 405 CG ASN A 27 5.229 -14.600 -12.988 1.00 63.12 C ATOM 406 OD1 ASN A 27 4.297 -14.675 -12.188 1.00 21.34 O ATOM 407 ND2 ASN A 27 5.111 -14.012 -14.173 1.00 60.41 N ATOM 0 H ASN A 27 7.457 -12.882 -12.757 1.00 71.04 H new ATOM 0 HA ASN A 27 6.499 -14.413 -10.655 1.00 25.15 H new ATOM 0 HB2 ASN A 27 7.243 -15.087 -13.524 1.00 23.24 H new ATOM 0 HB3 ASN A 27 6.482 -16.252 -12.458 1.00 23.24 H new ATOM 0 HD21 ASN A 27 4.221 -13.599 -14.451 1.00 60.41 H new ATOM 0 HD22 ASN A 27 5.911 -13.973 -14.805 1.00 60.41 H new ATOM 414 N LYS A 28 8.242 -15.897 -9.735 1.00 13.45 N ATOM 415 CA LYS A 28 9.273 -16.731 -9.130 1.00 62.22 C ATOM 416 C LYS A 28 9.591 -17.931 -10.017 1.00 31.12 C ATOM 417 O LYS A 28 10.754 -18.218 -10.296 1.00 61.12 O ATOM 418 CB LYS A 28 8.826 -17.210 -7.747 1.00 53.22 C ATOM 419 CG LYS A 28 8.458 -16.079 -6.802 1.00 22.22 C ATOM 420 CD LYS A 28 9.686 -15.506 -6.114 1.00 50.24 C ATOM 421 CE LYS A 28 10.116 -16.364 -4.935 1.00 10.04 C ATOM 422 NZ LYS A 28 9.374 -16.012 -3.693 1.00 14.43 N ATOM 0 H LYS A 28 7.410 -15.772 -9.159 1.00 13.45 H new ATOM 0 HA LYS A 28 10.176 -16.129 -9.024 1.00 62.22 H new ATOM 0 HB2 LYS A 28 7.967 -17.871 -7.861 1.00 53.22 H new ATOM 0 HB3 LYS A 28 9.626 -17.800 -7.300 1.00 53.22 H new ATOM 0 HG2 LYS A 28 7.950 -15.291 -7.357 1.00 22.22 H new ATOM 0 HG3 LYS A 28 7.756 -16.444 -6.052 1.00 22.22 H new ATOM 0 HD2 LYS A 28 10.505 -15.433 -6.830 1.00 50.24 H new ATOM 0 HD3 LYS A 28 9.473 -14.494 -5.770 1.00 50.24 H new ATOM 0 HE2 LYS A 28 9.950 -17.415 -5.171 1.00 10.04 H new ATOM 0 HE3 LYS A 28 11.186 -16.240 -4.766 1.00 10.04 H new ATOM 0 HZ1 LYS A 28 9.696 -16.619 -2.912 1.00 14.43 H new ATOM 0 HZ2 LYS A 28 9.552 -15.016 -3.453 1.00 14.43 H new ATOM 0 HZ3 LYS A 28 8.355 -16.155 -3.845 1.00 14.43 H new ATOM 436 N GLY A 29 8.548 -18.628 -10.458 1.00 31.33 N ATOM 437 CA GLY A 29 8.737 -19.788 -11.309 1.00 64.02 C ATOM 438 C GLY A 29 7.804 -19.789 -12.504 1.00 2.13 C ATOM 439 O GLY A 29 6.674 -20.268 -12.417 1.00 22.35 O ATOM 0 H GLY A 29 7.576 -18.410 -10.241 1.00 31.33 H new ATOM 0 HA2 GLY A 29 9.769 -19.814 -11.658 1.00 64.02 H new ATOM 0 HA3 GLY A 29 8.575 -20.694 -10.725 1.00 64.02 H new ATOM 443 N ALA A 30 8.277 -19.249 -13.622 1.00 71.03 N ATOM 444 CA ALA A 30 7.477 -19.190 -14.839 1.00 51.23 C ATOM 445 C ALA A 30 8.010 -20.153 -15.894 1.00 72.41 C ATOM 446 O ALA A 30 8.060 -19.825 -17.080 1.00 11.32 O ATOM 447 CB ALA A 30 7.450 -17.770 -15.385 1.00 11.44 C ATOM 0 H ALA A 30 9.210 -18.846 -13.710 1.00 71.03 H new ATOM 0 HA ALA A 30 6.460 -19.492 -14.590 1.00 51.23 H new ATOM 0 HB1 ALA A 30 6.849 -17.741 -16.294 1.00 11.44 H new ATOM 0 HB2 ALA A 30 7.015 -17.102 -14.641 1.00 11.44 H new ATOM 0 HB3 ALA A 30 8.466 -17.448 -15.612 1.00 11.44 H new ATOM 453 N ILE A 31 8.407 -21.343 -15.455 1.00 43.12 N ATOM 454 CA ILE A 31 8.936 -22.354 -16.362 1.00 42.34 C ATOM 455 C ILE A 31 7.948 -22.658 -17.483 1.00 51.43 C ATOM 456 O ILE A 31 8.339 -23.082 -18.571 1.00 31.51 O ATOM 457 CB ILE A 31 9.268 -23.660 -15.618 1.00 21.33 C ATOM 458 CG1 ILE A 31 8.065 -24.123 -14.793 1.00 52.15 C ATOM 459 CG2 ILE A 31 10.485 -23.467 -14.726 1.00 22.04 C ATOM 460 CD1 ILE A 31 8.211 -25.525 -14.246 1.00 32.32 C ATOM 0 H ILE A 31 8.372 -21.630 -14.477 1.00 43.12 H new ATOM 0 HA ILE A 31 9.852 -21.946 -16.789 1.00 42.34 H new ATOM 0 HB ILE A 31 9.499 -24.431 -16.353 1.00 21.33 H new ATOM 0 HG12 ILE A 31 7.916 -23.432 -13.963 1.00 52.15 H new ATOM 0 HG13 ILE A 31 7.170 -24.075 -15.413 1.00 52.15 H new ATOM 0 HG21 ILE A 31 10.707 -24.399 -14.207 1.00 22.04 H new ATOM 0 HG22 ILE A 31 11.341 -23.179 -15.336 1.00 22.04 H new ATOM 0 HG23 ILE A 31 10.280 -22.685 -13.995 1.00 22.04 H new ATOM 0 HD11 ILE A 31 7.322 -25.786 -13.672 1.00 32.32 H new ATOM 0 HD12 ILE A 31 8.329 -26.227 -15.071 1.00 32.32 H new ATOM 0 HD13 ILE A 31 9.087 -25.574 -13.600 1.00 32.32 H new ATOM 472 N ILE A 32 6.666 -22.435 -17.211 1.00 65.30 N ATOM 473 CA ILE A 32 5.622 -22.682 -18.198 1.00 24.54 C ATOM 474 C ILE A 32 5.555 -21.554 -19.221 1.00 70.12 C ATOM 475 O ILE A 32 5.321 -21.790 -20.406 1.00 10.42 O ATOM 476 CB ILE A 32 4.243 -22.838 -17.531 1.00 20.44 C ATOM 477 CG1 ILE A 32 4.296 -23.914 -16.444 1.00 64.41 C ATOM 478 CG2 ILE A 32 3.187 -23.181 -18.571 1.00 42.51 C ATOM 479 CD1 ILE A 32 3.047 -23.977 -15.594 1.00 31.12 C ATOM 0 H ILE A 32 6.326 -22.084 -16.316 1.00 65.30 H new ATOM 0 HA ILE A 32 5.879 -23.613 -18.704 1.00 24.54 H new ATOM 0 HB ILE A 32 3.973 -21.890 -17.065 1.00 20.44 H new ATOM 0 HG12 ILE A 32 4.456 -24.885 -16.913 1.00 64.41 H new ATOM 0 HG13 ILE A 32 5.155 -23.726 -15.800 1.00 64.41 H new ATOM 0 HG21 ILE A 32 2.218 -23.288 -18.084 1.00 42.51 H new ATOM 0 HG22 ILE A 32 3.134 -22.384 -19.313 1.00 42.51 H new ATOM 0 HG23 ILE A 32 3.451 -24.117 -19.063 1.00 42.51 H new ATOM 0 HD11 ILE A 32 3.156 -24.762 -14.845 1.00 31.12 H new ATOM 0 HD12 ILE A 32 2.897 -23.019 -15.096 1.00 31.12 H new ATOM 0 HD13 ILE A 32 2.187 -24.196 -16.227 1.00 31.12 H new ATOM 491 N GLY A 33 5.764 -20.326 -18.755 1.00 73.33 N ATOM 492 CA GLY A 33 5.724 -19.179 -19.643 1.00 62.33 C ATOM 493 C GLY A 33 7.082 -18.858 -20.237 1.00 33.25 C ATOM 494 O GLY A 33 8.054 -18.654 -19.508 1.00 35.12 O ATOM 0 H GLY A 33 5.960 -20.105 -17.779 1.00 73.33 H new ATOM 0 HA2 GLY A 33 5.015 -19.371 -20.448 1.00 62.33 H new ATOM 0 HA3 GLY A 33 5.356 -18.312 -19.095 1.00 62.33 H new ATOM 498 N LEU A 34 7.151 -18.815 -21.562 1.00 53.34 N ATOM 499 CA LEU A 34 8.400 -18.518 -22.254 1.00 43.22 C ATOM 500 C LEU A 34 8.685 -17.019 -22.244 1.00 65.43 C ATOM 501 O LEU A 34 9.807 -16.593 -21.969 1.00 55.12 O ATOM 502 CB LEU A 34 8.342 -19.028 -23.695 1.00 62.11 C ATOM 503 CG LEU A 34 8.711 -20.497 -23.902 1.00 61.52 C ATOM 504 CD1 LEU A 34 7.559 -21.400 -23.490 1.00 73.33 C ATOM 505 CD2 LEU A 34 9.098 -20.751 -25.352 1.00 32.01 C ATOM 0 H LEU A 34 6.356 -18.982 -22.179 1.00 53.34 H new ATOM 0 HA LEU A 34 9.208 -19.026 -21.728 1.00 43.22 H new ATOM 0 HB2 LEU A 34 7.332 -18.871 -24.075 1.00 62.11 H new ATOM 0 HB3 LEU A 34 9.010 -18.417 -24.303 1.00 62.11 H new ATOM 0 HG LEU A 34 9.570 -20.728 -23.272 1.00 61.52 H new ATOM 0 HD11 LEU A 34 7.840 -22.442 -23.644 1.00 73.33 H new ATOM 0 HD12 LEU A 34 7.329 -21.239 -22.437 1.00 73.33 H new ATOM 0 HD13 LEU A 34 6.681 -21.168 -24.093 1.00 73.33 H new ATOM 0 HD21 LEU A 34 9.358 -21.802 -25.481 1.00 32.01 H new ATOM 0 HD22 LEU A 34 8.259 -20.502 -26.001 1.00 32.01 H new ATOM 0 HD23 LEU A 34 9.955 -20.131 -25.614 1.00 32.01 H new ATOM 517 N MET A 35 7.663 -16.226 -22.544 1.00 54.35 N ATOM 518 CA MET A 35 7.803 -14.774 -22.567 1.00 30.33 C ATOM 519 C MET A 35 6.485 -14.095 -22.209 1.00 72.21 C ATOM 520 O MET A 35 5.419 -14.705 -22.290 1.00 74.24 O ATOM 521 CB MET A 35 8.273 -14.307 -23.945 1.00 63.14 C ATOM 522 CG MET A 35 7.344 -14.719 -25.076 1.00 44.31 C ATOM 523 SD MET A 35 7.413 -13.587 -26.478 1.00 53.20 S ATOM 524 CE MET A 35 7.908 -14.702 -27.789 1.00 45.43 C ATOM 0 H MET A 35 6.728 -16.563 -22.775 1.00 54.35 H new ATOM 0 HA MET A 35 8.549 -14.494 -21.823 1.00 30.33 H new ATOM 0 HB2 MET A 35 8.366 -13.221 -23.939 1.00 63.14 H new ATOM 0 HB3 MET A 35 9.267 -14.711 -24.137 1.00 63.14 H new ATOM 0 HG2 MET A 35 7.608 -15.722 -25.411 1.00 44.31 H new ATOM 0 HG3 MET A 35 6.321 -14.766 -24.702 1.00 44.31 H new ATOM 0 HE1 MET A 35 7.994 -14.149 -28.724 1.00 45.43 H new ATOM 0 HE2 MET A 35 8.871 -15.149 -27.542 1.00 45.43 H new ATOM 0 HE3 MET A 35 7.161 -15.488 -27.900 1.00 45.43 H new ATOM 534 N VAL A 36 6.565 -12.829 -21.812 1.00 50.14 N ATOM 535 CA VAL A 36 5.378 -12.067 -21.443 1.00 41.11 C ATOM 536 C VAL A 36 5.306 -10.754 -22.214 1.00 42.33 C ATOM 537 O VAL A 36 6.286 -10.324 -22.821 1.00 40.34 O ATOM 538 CB VAL A 36 5.353 -11.765 -19.933 1.00 54.30 C ATOM 539 CG1 VAL A 36 5.136 -13.042 -19.136 1.00 71.23 C ATOM 540 CG2 VAL A 36 6.638 -11.072 -19.507 1.00 23.42 C ATOM 0 H VAL A 36 7.440 -12.309 -21.738 1.00 50.14 H new ATOM 0 HA VAL A 36 4.515 -12.682 -21.698 1.00 41.11 H new ATOM 0 HB VAL A 36 4.520 -11.092 -19.729 1.00 54.30 H new ATOM 0 HG11 VAL A 36 5.121 -12.808 -18.071 1.00 71.23 H new ATOM 0 HG12 VAL A 36 4.185 -13.492 -19.422 1.00 71.23 H new ATOM 0 HG13 VAL A 36 5.946 -13.742 -19.343 1.00 71.23 H new ATOM 0 HG21 VAL A 36 6.603 -10.866 -18.437 1.00 23.42 H new ATOM 0 HG22 VAL A 36 7.489 -11.718 -19.725 1.00 23.42 H new ATOM 0 HG23 VAL A 36 6.744 -10.135 -20.053 1.00 23.42 H new ATOM 550 N GLY A 37 4.138 -10.120 -22.185 1.00 53.24 N ATOM 551 CA GLY A 37 3.959 -8.861 -22.885 1.00 61.24 C ATOM 552 C GLY A 37 4.818 -7.752 -22.312 1.00 11.35 C ATOM 553 O GLY A 37 5.102 -6.764 -22.988 1.00 30.12 O ATOM 0 H GLY A 37 3.312 -10.456 -21.689 1.00 53.24 H new ATOM 0 HA2 GLY A 37 4.202 -8.997 -23.939 1.00 61.24 H new ATOM 0 HA3 GLY A 37 2.911 -8.567 -22.835 1.00 61.24 H new ATOM 557 N GLY A 38 5.232 -7.914 -21.058 1.00 53.52 N ATOM 558 CA GLY A 38 6.057 -6.909 -20.414 1.00 43.21 C ATOM 559 C GLY A 38 7.410 -6.755 -21.081 1.00 32.20 C ATOM 560 O GLY A 38 7.920 -5.643 -21.218 1.00 21.21 O ATOM 0 H GLY A 38 5.011 -8.723 -20.478 1.00 53.52 H new ATOM 0 HA2 GLY A 38 5.536 -5.951 -20.430 1.00 43.21 H new ATOM 0 HA3 GLY A 38 6.200 -7.177 -19.367 1.00 43.21 H new ATOM 564 N VAL A 39 7.994 -7.875 -21.496 1.00 51.11 N ATOM 565 CA VAL A 39 9.296 -7.860 -22.152 1.00 21.23 C ATOM 566 C VAL A 39 9.182 -7.368 -23.590 1.00 54.20 C ATOM 567 O VAL A 39 9.984 -6.552 -24.044 1.00 53.40 O ATOM 568 CB VAL A 39 9.941 -9.259 -22.149 1.00 45.42 C ATOM 569 CG1 VAL A 39 11.334 -9.205 -22.758 1.00 25.12 C ATOM 570 CG2 VAL A 39 9.989 -9.820 -20.736 1.00 62.43 C ATOM 0 H VAL A 39 7.586 -8.804 -21.389 1.00 51.11 H new ATOM 0 HA VAL A 39 9.928 -7.175 -21.587 1.00 21.23 H new ATOM 0 HB VAL A 39 9.329 -9.924 -22.759 1.00 45.42 H new ATOM 0 HG11 VAL A 39 11.775 -10.202 -22.748 1.00 25.12 H new ATOM 0 HG12 VAL A 39 11.268 -8.848 -23.786 1.00 25.12 H new ATOM 0 HG13 VAL A 39 11.959 -8.526 -22.178 1.00 25.12 H new ATOM 0 HG21 VAL A 39 10.448 -10.809 -20.752 1.00 62.43 H new ATOM 0 HG22 VAL A 39 10.578 -9.158 -20.101 1.00 62.43 H new ATOM 0 HG23 VAL A 39 8.976 -9.896 -20.340 1.00 62.43 H new ATOM 580 N VAL A 40 8.178 -7.869 -24.303 1.00 63.34 N ATOM 581 CA VAL A 40 7.957 -7.480 -25.691 1.00 10.52 C ATOM 582 C VAL A 40 6.476 -7.540 -26.049 1.00 64.22 C ATOM 583 O VAL A 40 5.774 -8.478 -25.673 1.00 31.24 O ATOM 584 CB VAL A 40 8.746 -8.380 -26.660 1.00 32.45 C ATOM 585 CG1 VAL A 40 8.205 -9.802 -26.627 1.00 51.34 C ATOM 586 CG2 VAL A 40 8.698 -7.815 -28.071 1.00 0.31 C ATOM 0 H VAL A 40 7.505 -8.545 -23.942 1.00 63.34 H new ATOM 0 HA VAL A 40 8.311 -6.454 -25.792 1.00 10.52 H new ATOM 0 HB VAL A 40 9.787 -8.405 -26.339 1.00 32.45 H new ATOM 0 HG11 VAL A 40 8.774 -10.424 -27.318 1.00 51.34 H new ATOM 0 HG12 VAL A 40 8.297 -10.203 -25.618 1.00 51.34 H new ATOM 0 HG13 VAL A 40 7.156 -9.799 -26.922 1.00 51.34 H new ATOM 0 HG21 VAL A 40 9.261 -8.464 -28.742 1.00 0.31 H new ATOM 0 HG22 VAL A 40 7.662 -7.758 -28.405 1.00 0.31 H new ATOM 0 HG23 VAL A 40 9.137 -6.817 -28.079 1.00 0.31 H new TER 596 VAL A 40