USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 318 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 LEU N :NH3+ 141:sc= -0.728 (180deg=-2.52!) USER MOD Single : A 5 CYS SG : rot -64:sc= 0.0801 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.544 K(o=0.54,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0718) USER MOD Single : A 33 MET CE :methyl 177:sc= 0 (180deg=-0.00879) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.651 17.585 -25.137 1.00 18.04 N ATOM 2 CA LEU A 1 20.742 16.905 -24.190 1.00 16.93 C ATOM 3 C LEU A 1 19.532 17.767 -23.790 1.00 15.60 C ATOM 4 O LEU A 1 19.046 17.666 -22.667 1.00 15.14 O ATOM 5 CB LEU A 1 21.514 16.346 -22.977 1.00 17.42 C ATOM 6 CG LEU A 1 22.045 17.348 -21.929 1.00 18.02 C ATOM 7 CD1 LEU A 1 22.828 16.562 -20.870 1.00 18.86 C ATOM 8 CD2 LEU A 1 22.958 18.440 -22.500 1.00 18.91 C ATOM 0 H1 LEU A 1 22.637 17.362 -24.893 1.00 18.04 H new ATOM 0 H2 LEU A 1 21.452 17.259 -26.104 1.00 18.04 H new ATOM 0 H3 LEU A 1 21.505 18.613 -25.081 1.00 18.04 H new ATOM 0 HA LEU A 1 20.315 16.051 -24.716 1.00 16.93 H new ATOM 0 HB2 LEU A 1 20.862 15.640 -22.463 1.00 17.42 H new ATOM 0 HB3 LEU A 1 22.364 15.778 -23.355 1.00 17.42 H new ATOM 0 HG LEU A 1 21.176 17.861 -21.518 1.00 18.02 H new ATOM 0 HD11 LEU A 1 23.214 17.250 -20.118 1.00 18.86 H new ATOM 0 HD12 LEU A 1 22.169 15.836 -20.394 1.00 18.86 H new ATOM 0 HD13 LEU A 1 23.659 16.040 -21.345 1.00 18.86 H new ATOM 0 HD21 LEU A 1 23.285 19.099 -21.695 1.00 18.91 H new ATOM 0 HD22 LEU A 1 23.828 17.979 -22.967 1.00 18.91 H new ATOM 0 HD23 LEU A 1 22.411 19.019 -23.244 1.00 18.91 H new ATOM 22 N ARG A 2 19.013 18.607 -24.697 1.00 15.30 N ATOM 23 CA ARG A 2 17.909 19.512 -24.383 1.00 14.41 C ATOM 24 C ARG A 2 16.564 18.767 -24.368 1.00 12.89 C ATOM 25 O ARG A 2 15.712 18.985 -25.232 1.00 12.72 O ATOM 26 CB ARG A 2 17.929 20.709 -25.349 1.00 15.49 C ATOM 27 CG ARG A 2 17.728 20.329 -26.829 1.00 16.14 C ATOM 28 CD ARG A 2 16.535 21.091 -27.426 1.00 16.35 C ATOM 29 NE ARG A 2 16.109 20.524 -28.716 1.00 16.97 N ATOM 30 CZ ARG A 2 15.264 19.488 -28.861 1.00 17.16 C ATOM 31 NH1 ARG A 2 14.843 18.803 -27.792 1.00 16.73 N ATOM 32 NH2 ARG A 2 14.844 19.137 -30.082 1.00 18.11 N ATOM 0 H ARG A 2 19.346 18.675 -25.659 1.00 15.30 H new ATOM 0 HA ARG A 2 18.038 19.906 -23.375 1.00 14.41 H new ATOM 0 HB2 ARG A 2 17.148 21.411 -25.056 1.00 15.49 H new ATOM 0 HB3 ARG A 2 18.881 21.230 -25.245 1.00 15.49 H new ATOM 0 HG2 ARG A 2 18.632 20.557 -27.394 1.00 16.14 H new ATOM 0 HG3 ARG A 2 17.560 19.255 -26.915 1.00 16.14 H new ATOM 0 HD2 ARG A 2 15.701 21.065 -26.725 1.00 16.35 H new ATOM 0 HD3 ARG A 2 16.805 22.138 -27.562 1.00 16.35 H new ATOM 0 HE ARG A 2 16.483 20.949 -29.564 1.00 16.97 H new ATOM 0 HH11 ARG A 2 15.163 19.065 -26.860 1.00 16.73 H new ATOM 0 HH12 ARG A 2 14.202 18.018 -27.909 1.00 16.73 H new ATOM 0 HH21 ARG A 2 15.165 19.655 -30.900 1.00 18.11 H new ATOM 0 HH22 ARG A 2 14.203 18.352 -30.195 1.00 18.11 H new ATOM 46 N ILE A 3 16.394 17.860 -23.404 1.00 12.05 N ATOM 47 CA ILE A 3 15.245 16.971 -23.288 1.00 10.81 C ATOM 48 C ILE A 3 14.469 17.329 -22.007 1.00 9.36 C ATOM 49 O ILE A 3 14.772 16.783 -20.943 1.00 9.07 O ATOM 50 CB ILE A 3 15.742 15.511 -23.295 1.00 11.32 C ATOM 51 CG1 ILE A 3 16.627 15.242 -24.529 1.00 12.72 C ATOM 52 CG2 ILE A 3 14.544 14.549 -23.294 1.00 11.15 C ATOM 53 CD1 ILE A 3 17.210 13.829 -24.539 1.00 13.33 C ATOM 0 H ILE A 3 17.078 17.723 -22.659 1.00 12.05 H new ATOM 0 HA ILE A 3 14.562 17.088 -24.130 1.00 10.81 H new ATOM 0 HB ILE A 3 16.338 15.346 -22.398 1.00 11.32 H new ATOM 0 HG12 ILE A 3 16.038 15.394 -25.434 1.00 12.72 H new ATOM 0 HG13 ILE A 3 17.441 15.967 -24.553 1.00 12.72 H new ATOM 0 HG21 ILE A 3 14.904 13.520 -23.299 1.00 11.15 H new ATOM 0 HG22 ILE A 3 13.942 14.719 -22.401 1.00 11.15 H new ATOM 0 HG23 ILE A 3 13.935 14.725 -24.181 1.00 11.15 H new ATOM 0 HD11 ILE A 3 17.824 13.695 -25.430 1.00 13.33 H new ATOM 0 HD12 ILE A 3 17.823 13.682 -23.650 1.00 13.33 H new ATOM 0 HD13 ILE A 3 16.399 13.101 -24.545 1.00 13.33 H new ATOM 65 N PRO A 4 13.477 18.236 -22.068 1.00 8.93 N ATOM 66 CA PRO A 4 12.706 18.646 -20.901 1.00 7.99 C ATOM 67 C PRO A 4 11.735 17.530 -20.492 1.00 6.71 C ATOM 68 O PRO A 4 10.534 17.613 -20.729 1.00 6.82 O ATOM 69 CB PRO A 4 11.998 19.938 -21.324 1.00 8.85 C ATOM 70 CG PRO A 4 11.792 19.740 -22.824 1.00 9.67 C ATOM 71 CD PRO A 4 13.048 18.977 -23.246 1.00 9.96 C ATOM 0 HA PRO A 4 13.321 18.826 -20.020 1.00 7.99 H new ATOM 0 HB2 PRO A 4 11.051 20.070 -20.800 1.00 8.85 H new ATOM 0 HB3 PRO A 4 12.604 20.819 -21.112 1.00 8.85 H new ATOM 0 HG2 PRO A 4 10.885 19.173 -23.035 1.00 9.67 H new ATOM 0 HG3 PRO A 4 11.703 20.692 -23.348 1.00 9.67 H new ATOM 0 HD2 PRO A 4 12.836 18.303 -24.076 1.00 9.96 H new ATOM 0 HD3 PRO A 4 13.827 19.661 -23.582 1.00 9.96 H new ATOM 79 N CYS A 5 12.275 16.484 -19.862 1.00 6.18 N ATOM 80 CA CYS A 5 11.558 15.280 -19.436 1.00 5.64 C ATOM 81 C CYS A 5 11.513 15.179 -17.909 1.00 4.69 C ATOM 82 O CYS A 5 11.423 14.086 -17.359 1.00 5.02 O ATOM 83 CB CYS A 5 12.203 14.030 -20.046 1.00 7.04 C ATOM 84 SG CYS A 5 13.893 13.823 -19.422 1.00 8.25 S ATOM 0 H CYS A 5 13.266 16.452 -19.625 1.00 6.18 H new ATOM 0 HA CYS A 5 10.531 15.349 -19.796 1.00 5.64 H new ATOM 0 HB2 CYS A 5 11.608 13.150 -19.802 1.00 7.04 H new ATOM 0 HB3 CYS A 5 12.217 14.114 -21.133 1.00 7.04 H new ATOM 0 HG CYS A 5 14.625 14.825 -19.811 1.00 8.25 H new ATOM 90 N CYS A 6 11.510 16.338 -17.243 1.00 4.55 N ATOM 91 CA CYS A 6 11.697 16.529 -15.808 1.00 4.65 C ATOM 92 C CYS A 6 10.711 15.646 -15.036 1.00 3.67 C ATOM 93 O CYS A 6 9.517 15.943 -14.974 1.00 3.57 O ATOM 94 CB CYS A 6 11.455 18.000 -15.436 1.00 5.86 C ATOM 95 SG CYS A 6 12.901 19.012 -15.836 1.00 7.67 S ATOM 0 H CYS A 6 11.367 17.224 -17.728 1.00 4.55 H new ATOM 0 HA CYS A 6 12.719 16.254 -15.547 1.00 4.65 H new ATOM 0 HB2 CYS A 6 10.583 18.376 -15.971 1.00 5.86 H new ATOM 0 HB3 CYS A 6 11.234 18.079 -14.372 1.00 5.86 H new ATOM 0 HG CYS A 6 12.667 20.249 -15.513 1.00 7.67 H new ATOM 101 N PRO A 7 11.195 14.537 -14.462 1.00 3.29 N ATOM 102 CA PRO A 7 10.349 13.476 -13.950 1.00 2.60 C ATOM 103 C PRO A 7 9.909 13.811 -12.523 1.00 2.16 C ATOM 104 O PRO A 7 10.317 13.154 -11.567 1.00 2.40 O ATOM 105 CB PRO A 7 11.210 12.213 -14.064 1.00 3.05 C ATOM 106 CG PRO A 7 12.635 12.734 -13.873 1.00 3.72 C ATOM 107 CD PRO A 7 12.592 14.138 -14.481 1.00 3.94 C ATOM 0 HA PRO A 7 9.417 13.339 -14.499 1.00 2.60 H new ATOM 0 HB2 PRO A 7 10.946 11.478 -13.304 1.00 3.05 H new ATOM 0 HB3 PRO A 7 11.086 11.729 -15.033 1.00 3.05 H new ATOM 0 HG2 PRO A 7 12.913 12.762 -12.820 1.00 3.72 H new ATOM 0 HG3 PRO A 7 13.364 12.101 -14.379 1.00 3.72 H new ATOM 0 HD2 PRO A 7 13.204 14.832 -13.905 1.00 3.94 H new ATOM 0 HD3 PRO A 7 12.984 14.135 -15.498 1.00 3.94 H new ATOM 115 N VAL A 8 9.080 14.852 -12.392 1.00 1.88 N ATOM 116 CA VAL A 8 8.559 15.315 -11.110 1.00 1.69 C ATOM 117 C VAL A 8 7.390 14.423 -10.667 1.00 1.49 C ATOM 118 O VAL A 8 7.489 13.198 -10.683 1.00 2.44 O ATOM 119 CB VAL A 8 8.269 16.836 -11.132 1.00 2.15 C ATOM 120 CG1 VAL A 8 8.264 17.413 -9.705 1.00 3.12 C ATOM 121 CG2 VAL A 8 9.334 17.620 -11.912 1.00 2.81 C ATOM 0 H VAL A 8 8.750 15.401 -13.186 1.00 1.88 H new ATOM 0 HA VAL A 8 9.318 15.207 -10.335 1.00 1.69 H new ATOM 0 HB VAL A 8 7.296 16.943 -11.612 1.00 2.15 H new ATOM 0 HG11 VAL A 8 8.058 18.483 -9.746 1.00 3.12 H new ATOM 0 HG12 VAL A 8 7.493 16.917 -9.115 1.00 3.12 H new ATOM 0 HG13 VAL A 8 9.237 17.248 -9.242 1.00 3.12 H new ATOM 0 HG21 VAL A 8 9.087 18.681 -11.899 1.00 2.81 H new ATOM 0 HG22 VAL A 8 10.309 17.469 -11.449 1.00 2.81 H new ATOM 0 HG23 VAL A 8 9.363 17.267 -12.943 1.00 2.81 H new ATOM 131 N ASN A 9 6.284 15.015 -10.215 1.00 1.07 N ATOM 132 CA ASN A 9 5.291 14.324 -9.395 1.00 1.05 C ATOM 133 C ASN A 9 4.606 13.140 -10.090 1.00 0.70 C ATOM 134 O ASN A 9 3.960 12.344 -9.419 1.00 0.80 O ATOM 135 CB ASN A 9 4.275 15.316 -8.809 1.00 1.68 C ATOM 136 CG ASN A 9 3.697 14.821 -7.480 1.00 3.36 C ATOM 137 OD1 ASN A 9 4.080 15.303 -6.416 1.00 4.27 O ATOM 138 ND2 ASN A 9 2.813 13.832 -7.500 1.00 4.57 N ATOM 0 H ASN A 9 6.052 15.989 -10.408 1.00 1.07 H new ATOM 0 HA ASN A 9 5.848 13.873 -8.573 1.00 1.05 H new ATOM 0 HB2 ASN A 9 4.756 16.282 -8.658 1.00 1.68 H new ATOM 0 HB3 ASN A 9 3.465 15.471 -9.522 1.00 1.68 H new ATOM 0 HD21 ASN A 9 2.442 13.462 -6.625 1.00 4.57 H new ATOM 0 HD22 ASN A 9 2.504 13.442 -8.390 1.00 4.57 H new ATOM 145 N LEU A 10 4.762 12.970 -11.405 1.00 0.72 N ATOM 146 CA LEU A 10 4.385 11.733 -12.077 1.00 0.71 C ATOM 147 C LEU A 10 5.102 10.559 -11.395 1.00 0.57 C ATOM 148 O LEU A 10 4.484 9.567 -11.008 1.00 0.54 O ATOM 149 CB LEU A 10 4.739 11.877 -13.567 1.00 1.07 C ATOM 150 CG LEU A 10 4.316 10.729 -14.501 1.00 1.84 C ATOM 151 CD1 LEU A 10 5.198 9.484 -14.365 1.00 3.37 C ATOM 152 CD2 LEU A 10 2.835 10.363 -14.352 1.00 2.55 C ATOM 0 H LEU A 10 5.150 13.681 -12.025 1.00 0.72 H new ATOM 0 HA LEU A 10 3.316 11.534 -12.006 1.00 0.71 H new ATOM 0 HB2 LEU A 10 4.286 12.797 -13.935 1.00 1.07 H new ATOM 0 HB3 LEU A 10 5.819 11.999 -13.648 1.00 1.07 H new ATOM 0 HG LEU A 10 4.463 11.118 -15.509 1.00 1.84 H new ATOM 0 HD11 LEU A 10 4.847 8.713 -15.050 1.00 3.37 H new ATOM 0 HD12 LEU A 10 6.230 9.741 -14.606 1.00 3.37 H new ATOM 0 HD13 LEU A 10 5.146 9.111 -13.342 1.00 3.37 H new ATOM 0 HD21 LEU A 10 2.591 9.548 -15.034 1.00 2.55 H new ATOM 0 HD22 LEU A 10 2.639 10.049 -13.327 1.00 2.55 H new ATOM 0 HD23 LEU A 10 2.220 11.231 -14.590 1.00 2.55 H new ATOM 164 N LYS A 11 6.412 10.698 -11.179 1.00 0.58 N ATOM 165 CA LYS A 11 7.199 9.708 -10.467 1.00 0.55 C ATOM 166 C LYS A 11 6.627 9.513 -9.060 1.00 0.41 C ATOM 167 O LYS A 11 6.421 8.384 -8.613 1.00 0.47 O ATOM 168 CB LYS A 11 8.666 10.167 -10.441 1.00 0.71 C ATOM 169 CG LYS A 11 9.647 9.146 -9.848 1.00 1.49 C ATOM 170 CD LYS A 11 9.693 7.847 -10.669 1.00 2.81 C ATOM 171 CE LYS A 11 10.829 6.910 -10.231 1.00 3.28 C ATOM 172 NZ LYS A 11 12.170 7.448 -10.548 1.00 3.27 N ATOM 0 H LYS A 11 6.951 11.504 -11.496 1.00 0.58 H new ATOM 0 HA LYS A 11 7.155 8.742 -10.971 1.00 0.55 H new ATOM 0 HB2 LYS A 11 8.977 10.401 -11.459 1.00 0.71 H new ATOM 0 HB3 LYS A 11 8.733 11.091 -9.867 1.00 0.71 H new ATOM 0 HG2 LYS A 11 10.644 9.584 -9.806 1.00 1.49 H new ATOM 0 HG3 LYS A 11 9.356 8.917 -8.823 1.00 1.49 H new ATOM 0 HD2 LYS A 11 8.740 7.327 -10.572 1.00 2.81 H new ATOM 0 HD3 LYS A 11 9.816 8.093 -11.724 1.00 2.81 H new ATOM 0 HE2 LYS A 11 10.757 6.736 -9.157 1.00 3.28 H new ATOM 0 HE3 LYS A 11 10.705 5.943 -10.720 1.00 3.28 H new ATOM 0 HZ1 LYS A 11 12.886 6.711 -10.389 1.00 3.27 H new ATOM 0 HZ2 LYS A 11 12.197 7.748 -11.543 1.00 3.27 H new ATOM 0 HZ3 LYS A 11 12.371 8.264 -9.935 1.00 3.27 H new ATOM 186 N ARG A 12 6.355 10.619 -8.359 1.00 0.36 N ATOM 187 CA ARG A 12 5.844 10.539 -6.998 1.00 0.36 C ATOM 188 C ARG A 12 4.452 9.914 -6.946 1.00 0.30 C ATOM 189 O ARG A 12 4.099 9.286 -5.956 1.00 0.38 O ATOM 190 CB ARG A 12 5.837 11.909 -6.312 1.00 0.55 C ATOM 191 CG ARG A 12 7.225 12.564 -6.276 1.00 1.94 C ATOM 192 CD ARG A 12 7.203 13.884 -5.492 1.00 2.44 C ATOM 193 NE ARG A 12 6.950 13.661 -4.056 1.00 3.10 N ATOM 194 CZ ARG A 12 5.839 13.960 -3.356 1.00 3.60 C ATOM 195 NH1 ARG A 12 4.775 14.533 -3.932 1.00 3.90 N ATOM 196 NH2 ARG A 12 5.796 13.671 -2.050 1.00 4.76 N ATOM 0 H ARG A 12 6.480 11.568 -8.712 1.00 0.36 H new ATOM 0 HA ARG A 12 6.526 9.888 -6.451 1.00 0.36 H new ATOM 0 HB2 ARG A 12 5.143 12.568 -6.834 1.00 0.55 H new ATOM 0 HB3 ARG A 12 5.466 11.798 -5.293 1.00 0.55 H new ATOM 0 HG2 ARG A 12 7.940 11.880 -5.819 1.00 1.94 H new ATOM 0 HG3 ARG A 12 7.568 12.750 -7.294 1.00 1.94 H new ATOM 0 HD2 ARG A 12 8.156 14.398 -5.618 1.00 2.44 H new ATOM 0 HD3 ARG A 12 6.432 14.537 -5.900 1.00 2.44 H new ATOM 0 HE ARG A 12 7.709 13.228 -3.529 1.00 3.10 H new ATOM 0 HH11 ARG A 12 4.792 14.755 -4.927 1.00 3.90 H new ATOM 0 HH12 ARG A 12 3.948 14.748 -3.375 1.00 3.90 H new ATOM 0 HH21 ARG A 12 6.598 13.230 -1.598 1.00 4.76 H new ATOM 0 HH22 ARG A 12 4.962 13.891 -1.506 1.00 4.76 H new ATOM 210 N LEU A 13 3.682 10.024 -8.025 1.00 0.24 N ATOM 211 CA LEU A 13 2.398 9.353 -8.149 1.00 0.28 C ATOM 212 C LEU A 13 2.639 7.847 -8.125 1.00 0.25 C ATOM 213 O LEU A 13 1.999 7.126 -7.364 1.00 0.30 O ATOM 214 CB LEU A 13 1.639 9.850 -9.379 1.00 0.33 C ATOM 215 CG LEU A 13 0.178 9.372 -9.469 1.00 0.66 C ATOM 216 CD1 LEU A 13 -0.632 10.389 -10.281 1.00 1.87 C ATOM 217 CD2 LEU A 13 0.048 8.003 -10.152 1.00 2.09 C ATOM 0 H LEU A 13 3.935 10.584 -8.839 1.00 0.24 H new ATOM 0 HA LEU A 13 1.747 9.593 -7.308 1.00 0.28 H new ATOM 0 HB2 LEU A 13 1.651 10.940 -9.381 1.00 0.33 H new ATOM 0 HB3 LEU A 13 2.170 9.524 -10.273 1.00 0.33 H new ATOM 0 HG LEU A 13 -0.196 9.280 -8.449 1.00 0.66 H new ATOM 0 HD11 LEU A 13 -1.668 10.058 -10.349 1.00 1.87 H new ATOM 0 HD12 LEU A 13 -0.594 11.361 -9.789 1.00 1.87 H new ATOM 0 HD13 LEU A 13 -0.211 10.473 -11.283 1.00 1.87 H new ATOM 0 HD21 LEU A 13 -1.002 7.713 -10.189 1.00 2.09 H new ATOM 0 HD22 LEU A 13 0.444 8.063 -11.166 1.00 2.09 H new ATOM 0 HD23 LEU A 13 0.610 7.259 -9.587 1.00 2.09 H new ATOM 229 N LEU A 14 3.603 7.369 -8.914 1.00 0.23 N ATOM 230 CA LEU A 14 3.991 5.969 -8.903 1.00 0.26 C ATOM 231 C LEU A 14 4.395 5.537 -7.487 1.00 0.22 C ATOM 232 O LEU A 14 3.930 4.517 -6.978 1.00 0.25 O ATOM 233 CB LEU A 14 5.111 5.737 -9.934 1.00 0.31 C ATOM 234 CG LEU A 14 5.086 4.349 -10.597 1.00 0.45 C ATOM 235 CD1 LEU A 14 6.232 4.265 -11.612 1.00 2.15 C ATOM 236 CD2 LEU A 14 5.217 3.201 -9.591 1.00 2.02 C ATOM 0 H LEU A 14 4.130 7.942 -9.573 1.00 0.23 H new ATOM 0 HA LEU A 14 3.144 5.347 -9.191 1.00 0.26 H new ATOM 0 HB2 LEU A 14 5.037 6.499 -10.710 1.00 0.31 H new ATOM 0 HB3 LEU A 14 6.074 5.875 -9.443 1.00 0.31 H new ATOM 0 HG LEU A 14 4.117 4.237 -11.083 1.00 0.45 H new ATOM 0 HD11 LEU A 14 6.225 3.285 -12.089 1.00 2.15 H new ATOM 0 HD12 LEU A 14 6.104 5.038 -12.370 1.00 2.15 H new ATOM 0 HD13 LEU A 14 7.183 4.412 -11.100 1.00 2.15 H new ATOM 0 HD21 LEU A 14 5.193 2.249 -10.121 1.00 2.02 H new ATOM 0 HD22 LEU A 14 6.161 3.294 -9.054 1.00 2.02 H new ATOM 0 HD23 LEU A 14 4.391 3.243 -8.881 1.00 2.02 H new ATOM 248 N VAL A 15 5.214 6.350 -6.814 1.00 0.18 N ATOM 249 CA VAL A 15 5.579 6.081 -5.424 1.00 0.21 C ATOM 250 C VAL A 15 4.319 5.971 -4.554 1.00 0.23 C ATOM 251 O VAL A 15 4.178 5.018 -3.791 1.00 0.25 O ATOM 252 CB VAL A 15 6.576 7.125 -4.889 1.00 0.27 C ATOM 253 CG1 VAL A 15 6.906 6.873 -3.411 1.00 0.40 C ATOM 254 CG2 VAL A 15 7.888 7.083 -5.685 1.00 0.31 C ATOM 0 H VAL A 15 5.633 7.193 -7.207 1.00 0.18 H new ATOM 0 HA VAL A 15 6.093 5.121 -5.380 1.00 0.21 H new ATOM 0 HB VAL A 15 6.103 8.101 -4.998 1.00 0.27 H new ATOM 0 HG11 VAL A 15 7.612 7.626 -3.062 1.00 0.40 H new ATOM 0 HG12 VAL A 15 5.992 6.931 -2.819 1.00 0.40 H new ATOM 0 HG13 VAL A 15 7.348 5.883 -3.301 1.00 0.40 H new ATOM 0 HG21 VAL A 15 8.577 7.829 -5.290 1.00 0.31 H new ATOM 0 HG22 VAL A 15 8.335 6.093 -5.597 1.00 0.31 H new ATOM 0 HG23 VAL A 15 7.684 7.297 -6.734 1.00 0.31 H new ATOM 264 N VAL A 16 3.387 6.920 -4.673 1.00 0.27 N ATOM 265 CA VAL A 16 2.130 6.876 -3.940 1.00 0.33 C ATOM 266 C VAL A 16 1.401 5.565 -4.236 1.00 0.34 C ATOM 267 O VAL A 16 0.951 4.913 -3.301 1.00 0.37 O ATOM 268 CB VAL A 16 1.278 8.129 -4.214 1.00 0.39 C ATOM 269 CG1 VAL A 16 -0.167 7.966 -3.720 1.00 0.50 C ATOM 270 CG2 VAL A 16 1.887 9.344 -3.501 1.00 0.44 C ATOM 0 H VAL A 16 3.486 7.735 -5.279 1.00 0.27 H new ATOM 0 HA VAL A 16 2.334 6.892 -2.869 1.00 0.33 H new ATOM 0 HB VAL A 16 1.268 8.273 -5.294 1.00 0.39 H new ATOM 0 HG11 VAL A 16 -0.730 8.874 -3.935 1.00 0.50 H new ATOM 0 HG12 VAL A 16 -0.632 7.122 -4.229 1.00 0.50 H new ATOM 0 HG13 VAL A 16 -0.166 7.786 -2.645 1.00 0.50 H new ATOM 0 HG21 VAL A 16 1.278 10.226 -3.700 1.00 0.44 H new ATOM 0 HG22 VAL A 16 1.917 9.159 -2.427 1.00 0.44 H new ATOM 0 HG23 VAL A 16 2.899 9.512 -3.868 1.00 0.44 H new ATOM 280 N VAL A 17 1.303 5.142 -5.501 1.00 0.33 N ATOM 281 CA VAL A 17 0.693 3.871 -5.842 1.00 0.36 C ATOM 282 C VAL A 17 1.372 2.733 -5.069 1.00 0.33 C ATOM 283 O VAL A 17 0.696 1.936 -4.420 1.00 0.35 O ATOM 284 CB VAL A 17 0.688 3.670 -7.368 1.00 0.40 C ATOM 285 CG1 VAL A 17 0.276 2.245 -7.745 1.00 0.47 C ATOM 286 CG2 VAL A 17 -0.297 4.645 -8.027 1.00 0.46 C ATOM 0 H VAL A 17 1.643 5.672 -6.304 1.00 0.33 H new ATOM 0 HA VAL A 17 -0.353 3.866 -5.535 1.00 0.36 H new ATOM 0 HB VAL A 17 1.703 3.855 -7.721 1.00 0.40 H new ATOM 0 HG11 VAL A 17 0.283 2.139 -8.830 1.00 0.47 H new ATOM 0 HG12 VAL A 17 0.977 1.535 -7.306 1.00 0.47 H new ATOM 0 HG13 VAL A 17 -0.727 2.044 -7.368 1.00 0.47 H new ATOM 0 HG21 VAL A 17 -0.292 4.493 -9.106 1.00 0.46 H new ATOM 0 HG22 VAL A 17 -1.300 4.466 -7.640 1.00 0.46 H new ATOM 0 HG23 VAL A 17 0.000 5.669 -7.803 1.00 0.46 H new ATOM 296 N VAL A 18 2.705 2.663 -5.098 1.00 0.29 N ATOM 297 CA VAL A 18 3.443 1.657 -4.352 1.00 0.30 C ATOM 298 C VAL A 18 3.096 1.715 -2.859 1.00 0.30 C ATOM 299 O VAL A 18 2.842 0.680 -2.241 1.00 0.31 O ATOM 300 CB VAL A 18 4.956 1.773 -4.622 1.00 0.30 C ATOM 301 CG1 VAL A 18 5.767 0.821 -3.731 1.00 0.34 C ATOM 302 CG2 VAL A 18 5.266 1.437 -6.087 1.00 0.32 C ATOM 0 H VAL A 18 3.293 3.299 -5.636 1.00 0.29 H new ATOM 0 HA VAL A 18 3.139 0.670 -4.701 1.00 0.30 H new ATOM 0 HB VAL A 18 5.239 2.802 -4.398 1.00 0.30 H new ATOM 0 HG11 VAL A 18 6.829 0.932 -3.951 1.00 0.34 H new ATOM 0 HG12 VAL A 18 5.587 1.061 -2.683 1.00 0.34 H new ATOM 0 HG13 VAL A 18 5.462 -0.207 -3.925 1.00 0.34 H new ATOM 0 HG21 VAL A 18 6.339 1.524 -6.261 1.00 0.32 H new ATOM 0 HG22 VAL A 18 4.945 0.418 -6.302 1.00 0.32 H new ATOM 0 HG23 VAL A 18 4.735 2.130 -6.739 1.00 0.32 H new ATOM 312 N VAL A 19 3.065 2.914 -2.270 1.00 0.30 N ATOM 313 CA VAL A 19 2.736 3.073 -0.861 1.00 0.32 C ATOM 314 C VAL A 19 1.330 2.532 -0.610 1.00 0.32 C ATOM 315 O VAL A 19 1.125 1.758 0.320 1.00 0.32 O ATOM 316 CB VAL A 19 2.905 4.538 -0.417 1.00 0.35 C ATOM 317 CG1 VAL A 19 2.349 4.771 0.996 1.00 0.40 C ATOM 318 CG2 VAL A 19 4.391 4.921 -0.414 1.00 0.36 C ATOM 0 H VAL A 19 3.266 3.789 -2.754 1.00 0.30 H new ATOM 0 HA VAL A 19 3.429 2.495 -0.250 1.00 0.32 H new ATOM 0 HB VAL A 19 2.350 5.153 -1.125 1.00 0.35 H new ATOM 0 HG11 VAL A 19 2.487 5.816 1.273 1.00 0.40 H new ATOM 0 HG12 VAL A 19 1.287 4.528 1.014 1.00 0.40 H new ATOM 0 HG13 VAL A 19 2.879 4.135 1.705 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.499 5.959 -0.099 1.00 0.36 H new ATOM 0 HG22 VAL A 19 4.932 4.274 0.276 1.00 0.36 H new ATOM 0 HG23 VAL A 19 4.799 4.803 -1.418 1.00 0.36 H new ATOM 328 N VAL A 20 0.369 2.910 -1.452 1.00 0.34 N ATOM 329 CA VAL A 20 -0.999 2.433 -1.375 1.00 0.36 C ATOM 330 C VAL A 20 -1.025 0.903 -1.401 1.00 0.34 C ATOM 331 O VAL A 20 -1.657 0.288 -0.546 1.00 0.34 O ATOM 332 CB VAL A 20 -1.876 3.079 -2.465 1.00 0.40 C ATOM 333 CG1 VAL A 20 -3.244 2.393 -2.583 1.00 0.46 C ATOM 334 CG2 VAL A 20 -2.114 4.560 -2.141 1.00 0.43 C ATOM 0 H VAL A 20 0.528 3.567 -2.216 1.00 0.34 H new ATOM 0 HA VAL A 20 -1.435 2.741 -0.425 1.00 0.36 H new ATOM 0 HB VAL A 20 -1.341 2.968 -3.408 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -3.829 2.880 -3.363 1.00 0.46 H new ATOM 0 HG12 VAL A 20 -3.103 1.343 -2.838 1.00 0.46 H new ATOM 0 HG13 VAL A 20 -3.772 2.468 -1.632 1.00 0.46 H new ATOM 0 HG21 VAL A 20 -2.735 5.007 -2.917 1.00 0.43 H new ATOM 0 HG22 VAL A 20 -2.619 4.645 -1.179 1.00 0.43 H new ATOM 0 HG23 VAL A 20 -1.158 5.081 -2.096 1.00 0.43 H new ATOM 344 N VAL A 21 -0.327 0.273 -2.350 1.00 0.33 N ATOM 345 CA VAL A 21 -0.247 -1.172 -2.436 1.00 0.32 C ATOM 346 C VAL A 21 0.310 -1.757 -1.136 1.00 0.29 C ATOM 347 O VAL A 21 -0.249 -2.714 -0.603 1.00 0.27 O ATOM 348 CB VAL A 21 0.603 -1.528 -3.663 1.00 0.35 C ATOM 349 CG1 VAL A 21 1.004 -3.000 -3.669 1.00 0.37 C ATOM 350 CG2 VAL A 21 -0.167 -1.230 -4.958 1.00 0.38 C ATOM 0 H VAL A 21 0.197 0.760 -3.078 1.00 0.33 H new ATOM 0 HA VAL A 21 -1.237 -1.611 -2.561 1.00 0.32 H new ATOM 0 HB VAL A 21 1.503 -0.916 -3.609 1.00 0.35 H new ATOM 0 HG11 VAL A 21 1.604 -3.210 -4.554 1.00 0.37 H new ATOM 0 HG12 VAL A 21 1.586 -3.222 -2.775 1.00 0.37 H new ATOM 0 HG13 VAL A 21 0.108 -3.621 -3.683 1.00 0.37 H new ATOM 0 HG21 VAL A 21 0.452 -1.489 -5.817 1.00 0.38 H new ATOM 0 HG22 VAL A 21 -1.084 -1.820 -4.980 1.00 0.38 H new ATOM 0 HG23 VAL A 21 -0.417 -0.170 -4.997 1.00 0.38 H new ATOM 360 N LEU A 22 1.396 -1.187 -0.611 1.00 0.29 N ATOM 361 CA LEU A 22 1.993 -1.615 0.640 1.00 0.29 C ATOM 362 C LEU A 22 0.957 -1.502 1.767 1.00 0.27 C ATOM 363 O LEU A 22 0.758 -2.447 2.527 1.00 0.26 O ATOM 364 CB LEU A 22 3.306 -0.822 0.834 1.00 0.33 C ATOM 365 CG LEU A 22 3.605 -0.351 2.256 1.00 0.37 C ATOM 366 CD1 LEU A 22 3.953 -1.515 3.191 1.00 0.41 C ATOM 367 CD2 LEU A 22 4.776 0.638 2.251 1.00 0.41 C ATOM 0 H LEU A 22 1.885 -0.408 -1.052 1.00 0.29 H new ATOM 0 HA LEU A 22 2.276 -2.668 0.643 1.00 0.29 H new ATOM 0 HB2 LEU A 22 4.135 -1.444 0.498 1.00 0.33 H new ATOM 0 HB3 LEU A 22 3.278 0.051 0.182 1.00 0.33 H new ATOM 0 HG LEU A 22 2.699 0.130 2.625 1.00 0.37 H new ATOM 0 HD11 LEU A 22 4.158 -1.130 4.190 1.00 0.41 H new ATOM 0 HD12 LEU A 22 3.114 -2.210 3.234 1.00 0.41 H new ATOM 0 HD13 LEU A 22 4.835 -2.033 2.814 1.00 0.41 H new ATOM 0 HD21 LEU A 22 4.979 0.966 3.270 1.00 0.41 H new ATOM 0 HD22 LEU A 22 5.662 0.151 1.843 1.00 0.41 H new ATOM 0 HD23 LEU A 22 4.521 1.501 1.636 1.00 0.41 H new ATOM 379 N VAL A 23 0.255 -0.374 1.863 1.00 0.29 N ATOM 380 CA VAL A 23 -0.739 -0.130 2.879 1.00 0.30 C ATOM 381 C VAL A 23 -1.878 -1.139 2.747 1.00 0.27 C ATOM 382 O VAL A 23 -2.345 -1.670 3.752 1.00 0.24 O ATOM 383 CB VAL A 23 -1.172 1.338 2.751 1.00 0.35 C ATOM 384 CG1 VAL A 23 -2.503 1.599 3.440 1.00 0.38 C ATOM 385 CG2 VAL A 23 -0.101 2.260 3.348 1.00 0.38 C ATOM 0 H VAL A 23 0.372 0.406 1.217 1.00 0.29 H new ATOM 0 HA VAL A 23 -0.349 -0.275 3.886 1.00 0.30 H new ATOM 0 HB VAL A 23 -1.293 1.548 1.688 1.00 0.35 H new ATOM 0 HG11 VAL A 23 -2.772 2.649 3.326 1.00 0.38 H new ATOM 0 HG12 VAL A 23 -3.275 0.975 2.989 1.00 0.38 H new ATOM 0 HG13 VAL A 23 -2.417 1.360 4.500 1.00 0.38 H new ATOM 0 HG21 VAL A 23 -0.419 3.298 3.251 1.00 0.38 H new ATOM 0 HG22 VAL A 23 0.039 2.020 4.402 1.00 0.38 H new ATOM 0 HG23 VAL A 23 0.839 2.118 2.815 1.00 0.38 H new ATOM 395 N VAL A 24 -2.314 -1.449 1.527 1.00 0.27 N ATOM 396 CA VAL A 24 -3.310 -2.445 1.285 1.00 0.25 C ATOM 397 C VAL A 24 -2.799 -3.809 1.745 1.00 0.21 C ATOM 398 O VAL A 24 -3.501 -4.504 2.469 1.00 0.17 O ATOM 399 CB VAL A 24 -3.682 -2.345 -0.201 1.00 0.29 C ATOM 400 CG1 VAL A 24 -4.306 -3.628 -0.708 1.00 0.30 C ATOM 401 CG2 VAL A 24 -4.642 -1.169 -0.426 1.00 0.34 C ATOM 0 H VAL A 24 -1.969 -0.999 0.679 1.00 0.27 H new ATOM 0 HA VAL A 24 -4.223 -2.293 1.861 1.00 0.25 H new ATOM 0 HB VAL A 24 -2.763 -2.176 -0.763 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -4.556 -3.519 -1.763 1.00 0.30 H new ATOM 0 HG12 VAL A 24 -3.600 -4.449 -0.585 1.00 0.30 H new ATOM 0 HG13 VAL A 24 -5.212 -3.841 -0.141 1.00 0.30 H new ATOM 0 HG21 VAL A 24 -4.900 -1.107 -1.483 1.00 0.34 H new ATOM 0 HG22 VAL A 24 -5.548 -1.322 0.160 1.00 0.34 H new ATOM 0 HG23 VAL A 24 -4.161 -0.242 -0.115 1.00 0.34 H new ATOM 411 N VAL A 25 -1.571 -4.192 1.390 1.00 0.22 N ATOM 412 CA VAL A 25 -0.956 -5.402 1.889 1.00 0.20 C ATOM 413 C VAL A 25 -0.923 -5.416 3.417 1.00 0.17 C ATOM 414 O VAL A 25 -1.173 -6.454 4.023 1.00 0.15 O ATOM 415 CB VAL A 25 0.419 -5.588 1.225 1.00 0.24 C ATOM 416 CG1 VAL A 25 1.469 -6.220 2.138 1.00 0.22 C ATOM 417 CG2 VAL A 25 0.226 -6.472 -0.009 1.00 0.29 C ATOM 0 H VAL A 25 -0.982 -3.664 0.746 1.00 0.22 H new ATOM 0 HA VAL A 25 -1.557 -6.269 1.615 1.00 0.20 H new ATOM 0 HB VAL A 25 0.798 -4.598 0.972 1.00 0.24 H new ATOM 0 HG11 VAL A 25 2.410 -6.318 1.597 1.00 0.22 H new ATOM 0 HG12 VAL A 25 1.618 -5.588 3.014 1.00 0.22 H new ATOM 0 HG13 VAL A 25 1.129 -7.206 2.455 1.00 0.22 H new ATOM 0 HG21 VAL A 25 1.186 -6.622 -0.503 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -0.181 -7.437 0.294 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -0.465 -5.988 -0.699 1.00 0.29 H new ATOM 427 N VAL A 26 -0.643 -4.276 4.049 1.00 0.19 N ATOM 428 CA VAL A 26 -0.623 -4.182 5.501 1.00 0.20 C ATOM 429 C VAL A 26 -2.039 -4.427 6.023 1.00 0.18 C ATOM 430 O VAL A 26 -2.218 -5.203 6.957 1.00 0.18 O ATOM 431 CB VAL A 26 -0.018 -2.846 5.955 1.00 0.27 C ATOM 432 CG1 VAL A 26 -0.463 -2.413 7.358 1.00 0.31 C ATOM 433 CG2 VAL A 26 1.512 -2.914 5.890 1.00 0.30 C ATOM 0 H VAL A 26 -0.426 -3.402 3.570 1.00 0.19 H new ATOM 0 HA VAL A 26 0.024 -4.947 5.929 1.00 0.20 H new ATOM 0 HB VAL A 26 -0.394 -2.090 5.266 1.00 0.27 H new ATOM 0 HG11 VAL A 26 0.004 -1.461 7.610 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -1.547 -2.301 7.378 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -0.163 -3.168 8.084 1.00 0.31 H new ATOM 0 HG21 VAL A 26 1.933 -1.962 6.214 1.00 0.30 H new ATOM 0 HG22 VAL A 26 1.869 -3.710 6.544 1.00 0.30 H new ATOM 0 HG23 VAL A 26 1.824 -3.119 4.866 1.00 0.30 H new ATOM 443 N ILE A 27 -3.049 -3.798 5.414 1.00 0.19 N ATOM 444 CA ILE A 27 -4.433 -3.967 5.808 1.00 0.20 C ATOM 445 C ILE A 27 -4.810 -5.446 5.660 1.00 0.16 C ATOM 446 O ILE A 27 -5.443 -6.024 6.542 1.00 0.17 O ATOM 447 CB ILE A 27 -5.317 -3.019 4.980 1.00 0.24 C ATOM 448 CG1 ILE A 27 -5.301 -1.629 5.643 1.00 0.32 C ATOM 449 CG2 ILE A 27 -6.769 -3.513 4.869 1.00 0.25 C ATOM 450 CD1 ILE A 27 -5.718 -0.515 4.678 1.00 0.36 C ATOM 0 H ILE A 27 -2.919 -3.157 4.632 1.00 0.19 H new ATOM 0 HA ILE A 27 -4.588 -3.700 6.853 1.00 0.20 H new ATOM 0 HB ILE A 27 -4.912 -2.979 3.969 1.00 0.24 H new ATOM 0 HG12 ILE A 27 -5.972 -1.632 6.502 1.00 0.32 H new ATOM 0 HG13 ILE A 27 -4.300 -1.422 6.021 1.00 0.32 H new ATOM 0 HG21 ILE A 27 -7.349 -2.807 4.275 1.00 0.25 H new ATOM 0 HG22 ILE A 27 -6.785 -4.491 4.388 1.00 0.25 H new ATOM 0 HG23 ILE A 27 -7.204 -3.591 5.865 1.00 0.25 H new ATOM 0 HD11 ILE A 27 -5.690 0.444 5.195 1.00 0.36 H new ATOM 0 HD12 ILE A 27 -5.032 -0.491 3.832 1.00 0.36 H new ATOM 0 HD13 ILE A 27 -6.730 -0.704 4.319 1.00 0.36 H new ATOM 462 N VAL A 28 -4.404 -6.068 4.551 1.00 0.14 N ATOM 463 CA VAL A 28 -4.722 -7.456 4.264 1.00 0.17 C ATOM 464 C VAL A 28 -4.065 -8.352 5.313 1.00 0.17 C ATOM 465 O VAL A 28 -4.736 -9.173 5.934 1.00 0.24 O ATOM 466 CB VAL A 28 -4.320 -7.799 2.820 1.00 0.22 C ATOM 467 CG1 VAL A 28 -4.318 -9.309 2.569 1.00 0.28 C ATOM 468 CG2 VAL A 28 -5.301 -7.150 1.833 1.00 0.25 C ATOM 0 H VAL A 28 -3.844 -5.616 3.828 1.00 0.14 H new ATOM 0 HA VAL A 28 -5.796 -7.628 4.329 1.00 0.17 H new ATOM 0 HB VAL A 28 -3.310 -7.416 2.671 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -4.028 -9.506 1.537 1.00 0.28 H new ATOM 0 HG12 VAL A 28 -3.608 -9.789 3.243 1.00 0.28 H new ATOM 0 HG13 VAL A 28 -5.316 -9.709 2.748 1.00 0.28 H new ATOM 0 HG21 VAL A 28 -5.008 -7.398 0.813 1.00 0.25 H new ATOM 0 HG22 VAL A 28 -6.308 -7.522 2.023 1.00 0.25 H new ATOM 0 HG23 VAL A 28 -5.284 -6.068 1.962 1.00 0.25 H new ATOM 478 N GLY A 29 -2.762 -8.182 5.540 1.00 0.16 N ATOM 479 CA GLY A 29 -2.053 -8.904 6.583 1.00 0.19 C ATOM 480 C GLY A 29 -2.751 -8.738 7.932 1.00 0.20 C ATOM 481 O GLY A 29 -3.030 -9.723 8.608 1.00 0.28 O ATOM 0 H GLY A 29 -2.175 -7.541 5.005 1.00 0.16 H new ATOM 0 HA2 GLY A 29 -1.998 -9.962 6.325 1.00 0.19 H new ATOM 0 HA3 GLY A 29 -1.028 -8.539 6.652 1.00 0.19 H new ATOM 485 N ALA A 30 -3.066 -7.498 8.308 1.00 0.19 N ATOM 486 CA ALA A 30 -3.754 -7.197 9.556 1.00 0.28 C ATOM 487 C ALA A 30 -5.089 -7.941 9.642 1.00 0.34 C ATOM 488 O ALA A 30 -5.398 -8.540 10.669 1.00 0.48 O ATOM 489 CB ALA A 30 -3.947 -5.686 9.702 1.00 0.34 C ATOM 0 H ALA A 30 -2.848 -6.673 7.750 1.00 0.19 H new ATOM 0 HA ALA A 30 -3.136 -7.543 10.385 1.00 0.28 H new ATOM 0 HB1 ALA A 30 -4.462 -5.474 10.639 1.00 0.34 H new ATOM 0 HB2 ALA A 30 -2.975 -5.193 9.703 1.00 0.34 H new ATOM 0 HB3 ALA A 30 -4.542 -5.313 8.868 1.00 0.34 H new ATOM 495 N LEU A 31 -5.875 -7.931 8.563 1.00 0.28 N ATOM 496 CA LEU A 31 -7.126 -8.642 8.470 1.00 0.36 C ATOM 497 C LEU A 31 -6.874 -10.139 8.693 1.00 0.41 C ATOM 498 O LEU A 31 -7.552 -10.757 9.510 1.00 0.56 O ATOM 499 CB LEU A 31 -7.762 -8.249 7.125 1.00 0.36 C ATOM 500 CG LEU A 31 -8.758 -9.272 6.606 1.00 0.48 C ATOM 501 CD1 LEU A 31 -9.993 -9.414 7.503 1.00 0.60 C ATOM 502 CD2 LEU A 31 -9.188 -8.923 5.177 1.00 0.53 C ATOM 0 H LEU A 31 -5.642 -7.412 7.716 1.00 0.28 H new ATOM 0 HA LEU A 31 -7.847 -8.377 9.244 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -8.264 -7.288 7.236 1.00 0.36 H new ATOM 0 HB3 LEU A 31 -6.974 -8.113 6.385 1.00 0.36 H new ATOM 0 HG LEU A 31 -8.246 -10.234 6.613 1.00 0.48 H new ATOM 0 HD11 LEU A 31 -10.667 -10.159 7.079 1.00 0.60 H new ATOM 0 HD12 LEU A 31 -9.684 -9.729 8.500 1.00 0.60 H new ATOM 0 HD13 LEU A 31 -10.507 -8.455 7.568 1.00 0.60 H new ATOM 0 HD21 LEU A 31 -9.902 -9.666 4.820 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -9.654 -7.938 5.168 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -8.314 -8.917 4.525 1.00 0.53 H new ATOM 514 N LEU A 32 -5.901 -10.725 7.986 1.00 0.34 N ATOM 515 CA LEU A 32 -5.596 -12.146 8.108 1.00 0.44 C ATOM 516 C LEU A 32 -5.163 -12.497 9.535 1.00 0.42 C ATOM 517 O LEU A 32 -5.554 -13.536 10.061 1.00 0.50 O ATOM 518 CB LEU A 32 -4.516 -12.547 7.092 1.00 0.58 C ATOM 519 CG LEU A 32 -4.997 -12.487 5.631 1.00 0.93 C ATOM 520 CD1 LEU A 32 -3.785 -12.557 4.696 1.00 1.65 C ATOM 521 CD2 LEU A 32 -5.953 -13.640 5.296 1.00 1.52 C ATOM 0 H LEU A 32 -5.310 -10.228 7.320 1.00 0.34 H new ATOM 0 HA LEU A 32 -6.502 -12.711 7.890 1.00 0.44 H new ATOM 0 HB2 LEU A 32 -3.655 -11.889 7.210 1.00 0.58 H new ATOM 0 HB3 LEU A 32 -4.177 -13.559 7.314 1.00 0.58 H new ATOM 0 HG LEU A 32 -5.536 -11.549 5.496 1.00 0.93 H new ATOM 0 HD11 LEU A 32 -4.122 -12.515 3.660 1.00 1.65 H new ATOM 0 HD12 LEU A 32 -3.122 -11.716 4.897 1.00 1.65 H new ATOM 0 HD13 LEU A 32 -3.248 -13.490 4.865 1.00 1.65 H new ATOM 0 HD21 LEU A 32 -6.269 -13.560 4.256 1.00 1.52 H new ATOM 0 HD22 LEU A 32 -5.443 -14.591 5.449 1.00 1.52 H new ATOM 0 HD23 LEU A 32 -6.827 -13.588 5.945 1.00 1.52 H new ATOM 533 N MET A 33 -4.344 -11.645 10.155 1.00 0.36 N ATOM 534 CA MET A 33 -3.886 -11.828 11.525 1.00 0.42 C ATOM 535 C MET A 33 -5.063 -11.761 12.502 1.00 0.50 C ATOM 536 O MET A 33 -5.190 -12.623 13.370 1.00 0.78 O ATOM 537 CB MET A 33 -2.835 -10.763 11.863 1.00 0.50 C ATOM 538 CG MET A 33 -1.514 -11.010 11.123 1.00 1.98 C ATOM 539 SD MET A 33 -0.383 -9.595 11.070 1.00 2.79 S ATOM 540 CE MET A 33 -0.127 -9.287 12.831 1.00 2.86 C ATOM 0 H MET A 33 -3.979 -10.802 9.712 1.00 0.36 H new ATOM 0 HA MET A 33 -3.431 -12.814 11.619 1.00 0.42 H new ATOM 0 HB2 MET A 33 -3.219 -9.777 11.601 1.00 0.50 H new ATOM 0 HB3 MET A 33 -2.654 -10.759 12.938 1.00 0.50 H new ATOM 0 HG2 MET A 33 -1.001 -11.847 11.597 1.00 1.98 H new ATOM 0 HG3 MET A 33 -1.740 -11.313 10.101 1.00 1.98 H new ATOM 0 HE1 MET A 33 0.591 -8.476 12.958 1.00 2.86 H new ATOM 0 HE2 MET A 33 -1.074 -9.009 13.293 1.00 2.86 H new ATOM 0 HE3 MET A 33 0.257 -10.190 13.306 1.00 2.86 H new ATOM 550 N GLY A 34 -5.894 -10.724 12.382 1.00 0.48 N ATOM 551 CA GLY A 34 -6.966 -10.431 13.315 1.00 0.70 C ATOM 552 C GLY A 34 -7.038 -8.924 13.526 1.00 2.07 C ATOM 553 O GLY A 34 -6.385 -8.396 14.425 1.00 3.40 O ATOM 0 H GLY A 34 -5.833 -10.055 11.615 1.00 0.48 H new ATOM 0 HA2 GLY A 34 -7.915 -10.803 12.928 1.00 0.70 H new ATOM 0 HA3 GLY A 34 -6.788 -10.937 14.264 1.00 0.70 H new ATOM 557 N LEU A 35 -7.807 -8.243 12.673 1.00 2.62 N ATOM 558 CA LEU A 35 -8.162 -6.847 12.886 1.00 4.28 C ATOM 559 C LEU A 35 -9.121 -6.696 14.074 1.00 5.27 C ATOM 560 O LEU A 35 -9.456 -5.560 14.402 1.00 6.45 O ATOM 561 CB LEU A 35 -8.698 -6.211 11.592 1.00 5.11 C ATOM 562 CG LEU A 35 -9.909 -6.886 10.914 1.00 5.58 C ATOM 563 CD1 LEU A 35 -11.181 -6.889 11.770 1.00 6.32 C ATOM 564 CD2 LEU A 35 -10.212 -6.129 9.615 1.00 6.81 C ATOM 565 OXT LEU A 35 -9.586 -7.712 14.594 1.00 5.62 O ATOM 0 H LEU A 35 -8.197 -8.646 11.821 1.00 2.62 H new ATOM 0 HA LEU A 35 -7.260 -6.295 13.149 1.00 4.28 H new ATOM 0 HB2 LEU A 35 -8.968 -5.178 11.812 1.00 5.11 H new ATOM 0 HB3 LEU A 35 -7.882 -6.180 10.870 1.00 5.11 H new ATOM 0 HG LEU A 35 -9.637 -7.928 10.745 1.00 5.58 H new ATOM 0 HD11 LEU A 35 -11.986 -7.381 11.224 1.00 6.32 H new ATOM 0 HD12 LEU A 35 -10.993 -7.426 12.700 1.00 6.32 H new ATOM 0 HD13 LEU A 35 -11.470 -5.863 11.996 1.00 6.32 H new ATOM 0 HD21 LEU A 35 -11.066 -6.588 9.117 1.00 6.81 H new ATOM 0 HD22 LEU A 35 -10.443 -5.089 9.845 1.00 6.81 H new ATOM 0 HD23 LEU A 35 -9.343 -6.171 8.958 1.00 6.81 H new TER 577 LEU A 35