USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 631 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 55 GLN : amide:sc= 0.707 K(o=1.5,f=-5.8!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 172:sc= 0.819 (180deg=0) USER MOD Single : A 1 MET CE :methyl 150:sc= 0 (180deg=-0.337) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= 0.505 (180deg=-2.42!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -58:sc= -0.103 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 60:sc= 0.495 USER MOD Single : A 24 ASN : amide:sc= -2! X(o=-2!,f=-2.4) USER MOD Single : A 26 ASN : amide:sc= -0.879 K(o=-0.88,f=-3.8!) USER MOD Single : A 28 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.038) USER MOD Single : A 38 MET CE :methyl -170:sc= -1.85 (180deg=-1.93) USER MOD Single : A 40 SER OG : rot -39:sc= 0.836 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 47 ASN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 0.166 (180deg=-0.18) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.978 14.219 6.581 1.00 11.42 N ATOM 2 CA MET A 1 -5.174 13.638 5.469 1.00 11.22 C ATOM 3 C MET A 1 -5.989 12.621 4.656 1.00 74.13 C ATOM 4 O MET A 1 -6.267 11.513 5.128 1.00 1.05 O ATOM 5 CB MET A 1 -3.916 12.959 6.029 1.00 34.45 C ATOM 6 CG MET A 1 -3.071 12.254 4.975 1.00 42.21 C ATOM 7 SD MET A 1 -1.689 11.343 5.695 1.00 71.14 S ATOM 8 CE MET A 1 -1.000 10.553 4.241 1.00 3.44 C ATOM 0 H1 MET A 1 -5.398 14.901 7.109 1.00 11.42 H new ATOM 0 H2 MET A 1 -6.812 14.703 6.191 1.00 11.42 H new ATOM 0 H3 MET A 1 -6.287 13.459 7.220 1.00 11.42 H new ATOM 0 HA MET A 1 -4.888 14.454 4.805 1.00 11.22 H new ATOM 0 HB2 MET A 1 -3.303 13.709 6.529 1.00 34.45 H new ATOM 0 HB3 MET A 1 -4.214 12.234 6.786 1.00 34.45 H new ATOM 0 HG2 MET A 1 -3.700 11.567 4.409 1.00 42.21 H new ATOM 0 HG3 MET A 1 -2.688 12.990 4.268 1.00 42.21 H new ATOM 0 HE1 MET A 1 0.073 10.418 4.375 1.00 3.44 H new ATOM 0 HE2 MET A 1 -1.473 9.582 4.096 1.00 3.44 H new ATOM 0 HE3 MET A 1 -1.181 11.179 3.367 1.00 3.44 H new ATOM 20 N ASP A 2 -6.378 13.001 3.441 1.00 71.34 N ATOM 21 CA ASP A 2 -7.049 12.076 2.520 1.00 2.24 C ATOM 22 C ASP A 2 -6.244 11.946 1.215 1.00 60.44 C ATOM 23 O ASP A 2 -5.571 12.889 0.789 1.00 2.20 O ATOM 24 CB ASP A 2 -8.483 12.538 2.230 1.00 32.23 C ATOM 25 CG ASP A 2 -9.282 11.501 1.453 1.00 3.23 C ATOM 26 OD1 ASP A 2 -9.060 10.290 1.667 1.00 34.52 O ATOM 27 OD2 ASP A 2 -10.139 11.888 0.633 1.00 52.33 O ATOM 0 H ASP A 2 -6.242 13.941 3.068 1.00 71.34 H new ATOM 0 HA ASP A 2 -7.102 11.096 2.994 1.00 2.24 H new ATOM 0 HB2 ASP A 2 -8.990 12.753 3.171 1.00 32.23 H new ATOM 0 HB3 ASP A 2 -8.454 13.469 1.664 1.00 32.23 H new ATOM 32 N VAL A 3 -6.323 10.781 0.580 1.00 73.24 N ATOM 33 CA VAL A 3 -5.448 10.464 -0.556 1.00 4.02 C ATOM 34 C VAL A 3 -6.188 10.478 -1.903 1.00 35.21 C ATOM 35 O VAL A 3 -7.283 9.929 -2.041 1.00 41.21 O ATOM 36 CB VAL A 3 -4.760 9.093 -0.355 1.00 65.13 C ATOM 37 CG1 VAL A 3 -3.899 8.723 -1.562 1.00 55.31 C ATOM 38 CG2 VAL A 3 -3.921 9.107 0.920 1.00 33.23 C ATOM 0 H VAL A 3 -6.979 10.040 0.827 1.00 73.24 H new ATOM 0 HA VAL A 3 -4.695 11.251 -0.588 1.00 4.02 H new ATOM 0 HB VAL A 3 -5.536 8.334 -0.257 1.00 65.13 H new ATOM 0 HG11 VAL A 3 -3.429 7.755 -1.390 1.00 55.31 H new ATOM 0 HG12 VAL A 3 -4.525 8.670 -2.453 1.00 55.31 H new ATOM 0 HG13 VAL A 3 -3.128 9.480 -1.705 1.00 55.31 H new ATOM 0 HG21 VAL A 3 -3.442 8.137 1.051 1.00 33.23 H new ATOM 0 HG22 VAL A 3 -3.158 9.882 0.845 1.00 33.23 H new ATOM 0 HG23 VAL A 3 -4.564 9.313 1.776 1.00 33.23 H new ATOM 48 N GLU A 4 -5.567 11.125 -2.889 1.00 13.51 N ATOM 49 CA GLU A 4 -6.070 11.146 -4.267 1.00 74.42 C ATOM 50 C GLU A 4 -5.227 10.222 -5.169 1.00 11.12 C ATOM 51 O GLU A 4 -4.101 9.863 -4.819 1.00 45.23 O ATOM 52 CB GLU A 4 -6.012 12.577 -4.823 1.00 12.45 C ATOM 53 CG GLU A 4 -6.820 13.600 -4.034 1.00 50.23 C ATOM 54 CD GLU A 4 -6.717 14.992 -4.639 1.00 41.41 C ATOM 55 OE1 GLU A 4 -5.757 15.717 -4.313 1.00 70.13 O ATOM 56 OE2 GLU A 4 -7.580 15.355 -5.464 1.00 34.10 O ATOM 0 H GLU A 4 -4.702 11.649 -2.758 1.00 13.51 H new ATOM 0 HA GLU A 4 -7.101 10.792 -4.259 1.00 74.42 H new ATOM 0 HB2 GLU A 4 -4.971 12.900 -4.851 1.00 12.45 H new ATOM 0 HB3 GLU A 4 -6.370 12.567 -5.852 1.00 12.45 H new ATOM 0 HG2 GLU A 4 -7.865 13.293 -4.005 1.00 50.23 H new ATOM 0 HG3 GLU A 4 -6.467 13.625 -3.003 1.00 50.23 H new ATOM 63 N PRO A 5 -5.745 9.831 -6.353 1.00 61.30 N ATOM 64 CA PRO A 5 -4.972 9.029 -7.323 1.00 42.10 C ATOM 65 C PRO A 5 -3.738 9.787 -7.866 1.00 65.04 C ATOM 66 O PRO A 5 -3.819 10.970 -8.206 1.00 31.53 O ATOM 67 CB PRO A 5 -5.984 8.751 -8.447 1.00 32.10 C ATOM 68 CG PRO A 5 -7.021 9.814 -8.308 1.00 2.03 C ATOM 69 CD PRO A 5 -7.112 10.114 -6.837 1.00 31.41 C ATOM 0 HA PRO A 5 -4.565 8.124 -6.872 1.00 42.10 H new ATOM 0 HB2 PRO A 5 -5.507 8.792 -9.426 1.00 32.10 H new ATOM 0 HB3 PRO A 5 -6.422 7.758 -8.347 1.00 32.10 H new ATOM 0 HG2 PRO A 5 -6.744 10.705 -8.872 1.00 2.03 H new ATOM 0 HG3 PRO A 5 -7.981 9.476 -8.697 1.00 2.03 H new ATOM 0 HD2 PRO A 5 -7.398 11.150 -6.654 1.00 31.41 H new ATOM 0 HD3 PRO A 5 -7.853 9.486 -6.342 1.00 31.41 H new ATOM 77 N GLY A 6 -2.601 9.095 -7.942 1.00 65.42 N ATOM 78 CA GLY A 6 -1.359 9.709 -8.416 1.00 14.23 C ATOM 79 C GLY A 6 -0.481 10.277 -7.295 1.00 53.41 C ATOM 80 O GLY A 6 0.644 10.713 -7.545 1.00 63.11 O ATOM 0 H GLY A 6 -2.514 8.112 -7.683 1.00 65.42 H new ATOM 0 HA2 GLY A 6 -0.787 8.966 -8.972 1.00 14.23 H new ATOM 0 HA3 GLY A 6 -1.604 10.510 -9.114 1.00 14.23 H new ATOM 84 N LYS A 7 -0.982 10.263 -6.058 1.00 33.13 N ATOM 85 CA LYS A 7 -0.264 10.857 -4.915 1.00 44.14 C ATOM 86 C LYS A 7 0.875 9.959 -4.383 1.00 50.11 C ATOM 87 O LYS A 7 0.823 8.732 -4.472 1.00 25.54 O ATOM 88 CB LYS A 7 -1.251 11.167 -3.782 1.00 63.21 C ATOM 89 CG LYS A 7 -2.207 12.326 -4.068 1.00 60.23 C ATOM 90 CD LYS A 7 -1.475 13.669 -4.142 1.00 15.40 C ATOM 91 CE LYS A 7 -2.442 14.848 -4.081 1.00 65.30 C ATOM 92 NZ LYS A 7 -3.390 14.866 -5.225 1.00 61.30 N ATOM 0 H LYS A 7 -1.882 9.848 -5.816 1.00 33.13 H new ATOM 0 HA LYS A 7 0.198 11.776 -5.277 1.00 44.14 H new ATOM 0 HB2 LYS A 7 -1.838 10.272 -3.575 1.00 63.21 H new ATOM 0 HB3 LYS A 7 -0.686 11.394 -2.878 1.00 63.21 H new ATOM 0 HG2 LYS A 7 -2.726 12.144 -5.009 1.00 60.23 H new ATOM 0 HG3 LYS A 7 -2.967 12.370 -3.288 1.00 60.23 H new ATOM 0 HD2 LYS A 7 -0.763 13.740 -3.320 1.00 15.40 H new ATOM 0 HD3 LYS A 7 -0.900 13.719 -5.067 1.00 15.40 H new ATOM 0 HE2 LYS A 7 -3.004 14.805 -3.148 1.00 65.30 H new ATOM 0 HE3 LYS A 7 -1.875 15.779 -4.069 1.00 65.30 H new ATOM 0 HZ1 LYS A 7 -3.138 15.640 -5.872 1.00 61.30 H new ATOM 0 HZ2 LYS A 7 -3.339 13.960 -5.733 1.00 61.30 H new ATOM 0 HZ3 LYS A 7 -4.357 15.011 -4.872 1.00 61.30 H new ATOM 106 N PHE A 8 1.898 10.605 -3.816 1.00 21.05 N ATOM 107 CA PHE A 8 3.063 9.919 -3.232 1.00 15.23 C ATOM 108 C PHE A 8 3.018 9.960 -1.691 1.00 53.22 C ATOM 109 O PHE A 8 3.011 11.042 -1.101 1.00 24.41 O ATOM 110 CB PHE A 8 4.362 10.602 -3.705 1.00 12.24 C ATOM 111 CG PHE A 8 4.653 10.477 -5.186 1.00 42.51 C ATOM 112 CD1 PHE A 8 3.728 10.883 -6.141 1.00 31.43 C ATOM 113 CD2 PHE A 8 5.865 9.959 -5.619 1.00 32.44 C ATOM 114 CE1 PHE A 8 4.007 10.767 -7.491 1.00 33.31 C ATOM 115 CE2 PHE A 8 6.147 9.842 -6.966 1.00 64.21 C ATOM 116 CZ PHE A 8 5.218 10.245 -7.902 1.00 70.12 C ATOM 0 H PHE A 8 1.945 11.622 -3.747 1.00 21.05 H new ATOM 0 HA PHE A 8 3.038 8.880 -3.561 1.00 15.23 H new ATOM 0 HB2 PHE A 8 4.311 11.660 -3.449 1.00 12.24 H new ATOM 0 HB3 PHE A 8 5.199 10.179 -3.149 1.00 12.24 H new ATOM 0 HD1 PHE A 8 2.780 11.294 -5.825 1.00 31.43 H new ATOM 0 HD2 PHE A 8 6.599 9.643 -4.892 1.00 32.44 H new ATOM 0 HE1 PHE A 8 3.279 11.084 -8.223 1.00 33.31 H new ATOM 0 HE2 PHE A 8 7.095 9.435 -7.286 1.00 64.21 H new ATOM 0 HZ PHE A 8 5.437 10.153 -8.955 1.00 70.12 H new ATOM 126 N TYR A 9 3.005 8.792 -1.037 1.00 13.11 N ATOM 127 CA TYR A 9 2.979 8.730 0.440 1.00 52.35 C ATOM 128 C TYR A 9 3.730 7.504 0.993 1.00 53.13 C ATOM 129 O TYR A 9 3.765 6.444 0.370 1.00 63.14 O ATOM 130 CB TYR A 9 1.532 8.690 0.963 1.00 61.15 C ATOM 131 CG TYR A 9 0.717 9.940 0.684 1.00 60.43 C ATOM 132 CD1 TYR A 9 1.002 11.143 1.327 1.00 50.01 C ATOM 133 CD2 TYR A 9 -0.341 9.918 -0.217 1.00 13.43 C ATOM 134 CE1 TYR A 9 0.256 12.281 1.079 1.00 34.22 C ATOM 135 CE2 TYR A 9 -1.090 11.050 -0.467 1.00 62.14 C ATOM 136 CZ TYR A 9 -0.788 12.229 0.181 1.00 24.41 C ATOM 137 OH TYR A 9 -1.537 13.359 -0.067 1.00 0.51 O ATOM 0 H TYR A 9 3.012 7.882 -1.497 1.00 13.11 H new ATOM 0 HA TYR A 9 3.482 9.632 0.787 1.00 52.35 H new ATOM 0 HB2 TYR A 9 1.023 7.835 0.517 1.00 61.15 H new ATOM 0 HB3 TYR A 9 1.555 8.521 2.040 1.00 61.15 H new ATOM 0 HD1 TYR A 9 1.820 11.188 2.031 1.00 50.01 H new ATOM 0 HD2 TYR A 9 -0.581 8.999 -0.731 1.00 13.43 H new ATOM 0 HE1 TYR A 9 0.490 13.205 1.586 1.00 34.22 H new ATOM 0 HE2 TYR A 9 -1.910 11.012 -1.168 1.00 62.14 H new ATOM 0 HH TYR A 9 -2.233 13.152 -0.725 1.00 0.51 H new ATOM 147 N LYS A 10 4.329 7.661 2.174 1.00 21.13 N ATOM 148 CA LYS A 10 4.893 6.523 2.911 1.00 24.04 C ATOM 149 C LYS A 10 3.875 5.983 3.926 1.00 20.04 C ATOM 150 O LYS A 10 3.372 6.728 4.772 1.00 14.41 O ATOM 151 CB LYS A 10 6.181 6.913 3.657 1.00 10.45 C ATOM 152 CG LYS A 10 6.747 5.764 4.501 1.00 41.32 C ATOM 153 CD LYS A 10 7.843 6.210 5.468 1.00 15.23 C ATOM 154 CE LYS A 10 9.132 6.605 4.757 1.00 50.22 C ATOM 155 NZ LYS A 10 10.224 6.882 5.728 1.00 22.42 N ATOM 0 H LYS A 10 4.437 8.561 2.642 1.00 21.13 H new ATOM 0 HA LYS A 10 5.132 5.753 2.178 1.00 24.04 H new ATOM 0 HB2 LYS A 10 6.932 7.232 2.934 1.00 10.45 H new ATOM 0 HB3 LYS A 10 5.977 7.767 4.303 1.00 10.45 H new ATOM 0 HG2 LYS A 10 5.937 5.305 5.067 1.00 41.32 H new ATOM 0 HG3 LYS A 10 7.147 4.997 3.837 1.00 41.32 H new ATOM 0 HD2 LYS A 10 7.483 7.056 6.054 1.00 15.23 H new ATOM 0 HD3 LYS A 10 8.053 5.403 6.170 1.00 15.23 H new ATOM 0 HE2 LYS A 10 9.437 5.805 4.082 1.00 50.22 H new ATOM 0 HE3 LYS A 10 8.955 7.489 4.144 1.00 50.22 H new ATOM 0 HZ1 LYS A 10 11.087 7.148 5.213 1.00 22.42 H new ATOM 0 HZ2 LYS A 10 9.941 7.662 6.355 1.00 22.42 H new ATOM 0 HZ3 LYS A 10 10.408 6.030 6.296 1.00 22.42 H new ATOM 169 N GLY A 11 3.587 4.692 3.849 1.00 11.13 N ATOM 170 CA GLY A 11 2.657 4.067 4.783 1.00 75.32 C ATOM 171 C GLY A 11 3.280 2.913 5.554 1.00 63.21 C ATOM 172 O GLY A 11 4.426 2.536 5.304 1.00 33.35 O ATOM 0 H GLY A 11 3.981 4.058 3.154 1.00 11.13 H new ATOM 0 HA2 GLY A 11 2.299 4.817 5.488 1.00 75.32 H new ATOM 0 HA3 GLY A 11 1.788 3.704 4.235 1.00 75.32 H new ATOM 176 N VAL A 12 2.526 2.342 6.486 1.00 40.23 N ATOM 177 CA VAL A 12 3.021 1.228 7.295 1.00 53.23 C ATOM 178 C VAL A 12 2.298 -0.088 6.953 1.00 22.13 C ATOM 179 O VAL A 12 1.075 -0.120 6.798 1.00 43.43 O ATOM 180 CB VAL A 12 2.877 1.525 8.812 1.00 42.31 C ATOM 181 CG1 VAL A 12 1.410 1.709 9.211 1.00 4.21 C ATOM 182 CG2 VAL A 12 3.545 0.426 9.637 1.00 3.55 C ATOM 0 H VAL A 12 1.571 2.629 6.702 1.00 40.23 H new ATOM 0 HA VAL A 12 4.079 1.113 7.058 1.00 53.23 H new ATOM 0 HB VAL A 12 3.386 2.466 9.022 1.00 42.31 H new ATOM 0 HG11 VAL A 12 1.347 1.915 10.279 1.00 4.21 H new ATOM 0 HG12 VAL A 12 0.983 2.543 8.654 1.00 4.21 H new ATOM 0 HG13 VAL A 12 0.854 0.799 8.984 1.00 4.21 H new ATOM 0 HG21 VAL A 12 3.435 0.650 10.698 1.00 3.55 H new ATOM 0 HG22 VAL A 12 3.073 -0.532 9.417 1.00 3.55 H new ATOM 0 HG23 VAL A 12 4.604 0.375 9.385 1.00 3.55 H new ATOM 192 N VAL A 13 3.068 -1.166 6.824 1.00 11.41 N ATOM 193 CA VAL A 13 2.515 -2.494 6.530 1.00 51.44 C ATOM 194 C VAL A 13 1.833 -3.099 7.766 1.00 31.32 C ATOM 195 O VAL A 13 2.472 -3.314 8.798 1.00 4.11 O ATOM 196 CB VAL A 13 3.621 -3.464 6.038 1.00 11.13 C ATOM 197 CG1 VAL A 13 3.046 -4.853 5.755 1.00 74.43 C ATOM 198 CG2 VAL A 13 4.316 -2.902 4.799 1.00 30.01 C ATOM 0 H VAL A 13 4.083 -1.149 6.918 1.00 11.41 H new ATOM 0 HA VAL A 13 1.775 -2.362 5.741 1.00 51.44 H new ATOM 0 HB VAL A 13 4.362 -3.564 6.831 1.00 11.13 H new ATOM 0 HG11 VAL A 13 3.842 -5.513 5.412 1.00 74.43 H new ATOM 0 HG12 VAL A 13 2.607 -5.258 6.667 1.00 74.43 H new ATOM 0 HG13 VAL A 13 2.278 -4.779 4.985 1.00 74.43 H new ATOM 0 HG21 VAL A 13 5.089 -3.596 4.469 1.00 30.01 H new ATOM 0 HG22 VAL A 13 3.585 -2.766 4.002 1.00 30.01 H new ATOM 0 HG23 VAL A 13 4.771 -1.942 5.041 1.00 30.01 H new ATOM 208 N THR A 14 0.537 -3.375 7.658 1.00 52.41 N ATOM 209 CA THR A 14 -0.227 -3.936 8.780 1.00 42.33 C ATOM 210 C THR A 14 -0.283 -5.467 8.727 1.00 2.41 C ATOM 211 O THR A 14 -0.198 -6.135 9.760 1.00 41.43 O ATOM 212 CB THR A 14 -1.674 -3.394 8.809 1.00 64.34 C ATOM 213 OG1 THR A 14 -2.402 -3.856 7.659 1.00 13.23 O ATOM 214 CG2 THR A 14 -1.680 -1.869 8.840 1.00 55.33 C ATOM 0 H THR A 14 -0.009 -3.222 6.810 1.00 52.41 H new ATOM 0 HA THR A 14 0.298 -3.627 9.684 1.00 42.33 H new ATOM 0 HB THR A 14 -2.156 -3.765 9.713 1.00 64.34 H new ATOM 0 HG1 THR A 14 -1.941 -3.569 6.843 1.00 13.23 H new ATOM 0 HG21 THR A 14 -2.709 -1.510 8.860 1.00 55.33 H new ATOM 0 HG22 THR A 14 -1.157 -1.521 9.731 1.00 55.33 H new ATOM 0 HG23 THR A 14 -1.179 -1.485 7.951 1.00 55.33 H new ATOM 222 N ARG A 15 -0.434 -6.024 7.525 1.00 33.24 N ATOM 223 CA ARG A 15 -0.538 -7.480 7.357 1.00 40.40 C ATOM 224 C ARG A 15 -0.129 -7.936 5.949 1.00 32.51 C ATOM 225 O ARG A 15 -0.359 -7.236 4.959 1.00 10.01 O ATOM 226 CB ARG A 15 -1.969 -7.946 7.666 1.00 33.50 C ATOM 227 CG ARG A 15 -3.049 -7.197 6.891 1.00 62.34 C ATOM 228 CD ARG A 15 -4.442 -7.689 7.256 1.00 13.55 C ATOM 229 NE ARG A 15 -5.495 -6.852 6.685 1.00 23.21 N ATOM 230 CZ ARG A 15 -6.768 -7.038 6.902 1.00 1.34 C ATOM 231 NH1 ARG A 15 -7.169 -8.019 7.643 1.00 72.21 N ATOM 232 NH2 ARG A 15 -7.641 -6.238 6.385 1.00 55.31 N ATOM 0 H ARG A 15 -0.487 -5.495 6.655 1.00 33.24 H new ATOM 0 HA ARG A 15 0.157 -7.937 8.061 1.00 40.40 H new ATOM 0 HB2 ARG A 15 -2.049 -9.010 7.444 1.00 33.50 H new ATOM 0 HB3 ARG A 15 -2.155 -7.829 8.734 1.00 33.50 H new ATOM 0 HG2 ARG A 15 -2.973 -6.130 7.099 1.00 62.34 H new ATOM 0 HG3 ARG A 15 -2.886 -7.326 5.821 1.00 62.34 H new ATOM 0 HD2 ARG A 15 -4.566 -8.714 6.906 1.00 13.55 H new ATOM 0 HD3 ARG A 15 -4.545 -7.708 8.341 1.00 13.55 H new ATOM 0 HE ARG A 15 -5.219 -6.077 6.082 1.00 23.21 H new ATOM 0 HH11 ARG A 15 -6.489 -8.653 8.062 1.00 72.21 H new ATOM 0 HH12 ARG A 15 -8.166 -8.159 7.809 1.00 72.21 H new ATOM 0 HH21 ARG A 15 -7.336 -5.457 5.804 1.00 55.31 H new ATOM 0 HH22 ARG A 15 -8.635 -6.388 6.558 1.00 55.31 H new ATOM 246 N ILE A 16 0.476 -9.122 5.876 1.00 33.12 N ATOM 247 CA ILE A 16 0.924 -9.699 4.602 1.00 11.33 C ATOM 248 C ILE A 16 -0.101 -10.704 4.050 1.00 12.21 C ATOM 249 O ILE A 16 -0.417 -11.709 4.695 1.00 45.31 O ATOM 250 CB ILE A 16 2.295 -10.412 4.760 1.00 30.43 C ATOM 251 CG1 ILE A 16 3.334 -9.453 5.361 1.00 55.12 C ATOM 252 CG2 ILE A 16 2.783 -10.960 3.413 1.00 11.30 C ATOM 253 CD1 ILE A 16 3.590 -8.220 4.520 1.00 2.43 C ATOM 0 H ILE A 16 0.669 -9.707 6.689 1.00 33.12 H new ATOM 0 HA ILE A 16 1.026 -8.871 3.900 1.00 11.33 H new ATOM 0 HB ILE A 16 2.166 -11.253 5.442 1.00 30.43 H new ATOM 0 HG12 ILE A 16 2.998 -9.143 6.350 1.00 55.12 H new ATOM 0 HG13 ILE A 16 4.273 -9.989 5.497 1.00 55.12 H new ATOM 0 HG21 ILE A 16 3.745 -11.455 3.548 1.00 11.30 H new ATOM 0 HG22 ILE A 16 2.057 -11.676 3.027 1.00 11.30 H new ATOM 0 HG23 ILE A 16 2.894 -10.139 2.705 1.00 11.30 H new ATOM 0 HD11 ILE A 16 4.335 -7.593 5.011 1.00 2.43 H new ATOM 0 HD12 ILE A 16 3.957 -8.519 3.538 1.00 2.43 H new ATOM 0 HD13 ILE A 16 2.663 -7.659 4.405 1.00 2.43 H new ATOM 265 N GLU A 17 -0.608 -10.428 2.855 1.00 51.43 N ATOM 266 CA GLU A 17 -1.594 -11.293 2.196 1.00 51.53 C ATOM 267 C GLU A 17 -0.937 -12.188 1.132 1.00 73.32 C ATOM 268 O GLU A 17 0.186 -11.945 0.694 1.00 33.10 O ATOM 269 CB GLU A 17 -2.683 -10.432 1.533 1.00 54.01 C ATOM 270 CG GLU A 17 -3.400 -9.484 2.488 1.00 75.33 C ATOM 271 CD GLU A 17 -4.239 -10.211 3.529 1.00 54.24 C ATOM 272 OE1 GLU A 17 -5.376 -10.616 3.206 1.00 40.21 O ATOM 273 OE2 GLU A 17 -3.766 -10.386 4.669 1.00 72.44 O ATOM 0 H GLU A 17 -0.352 -9.603 2.312 1.00 51.43 H new ATOM 0 HA GLU A 17 -2.036 -11.934 2.958 1.00 51.53 H new ATOM 0 HB2 GLU A 17 -2.230 -9.848 0.731 1.00 54.01 H new ATOM 0 HB3 GLU A 17 -3.419 -11.090 1.072 1.00 54.01 H new ATOM 0 HG2 GLU A 17 -2.663 -8.861 2.994 1.00 75.33 H new ATOM 0 HG3 GLU A 17 -4.042 -8.816 1.914 1.00 75.33 H new ATOM 280 N LYS A 18 -1.656 -13.225 0.712 1.00 42.22 N ATOM 281 CA LYS A 18 -1.193 -14.104 -0.370 1.00 54.01 C ATOM 282 C LYS A 18 -1.182 -13.372 -1.726 1.00 21.20 C ATOM 283 O LYS A 18 -0.520 -13.801 -2.673 1.00 41.23 O ATOM 284 CB LYS A 18 -2.094 -15.343 -0.456 1.00 73.45 C ATOM 285 CG LYS A 18 -2.030 -16.239 0.779 1.00 55.53 C ATOM 286 CD LYS A 18 -3.088 -17.340 0.743 1.00 21.22 C ATOM 287 CE LYS A 18 -4.504 -16.770 0.788 1.00 72.01 C ATOM 288 NZ LYS A 18 -5.537 -17.837 0.720 1.00 2.43 N ATOM 0 H LYS A 18 -2.563 -13.482 1.102 1.00 42.22 H new ATOM 0 HA LYS A 18 -0.171 -14.408 -0.142 1.00 54.01 H new ATOM 0 HB2 LYS A 18 -3.124 -15.021 -0.607 1.00 73.45 H new ATOM 0 HB3 LYS A 18 -1.811 -15.927 -1.332 1.00 73.45 H new ATOM 0 HG2 LYS A 18 -1.040 -16.690 0.849 1.00 55.53 H new ATOM 0 HG3 LYS A 18 -2.168 -15.633 1.674 1.00 55.53 H new ATOM 0 HD2 LYS A 18 -2.964 -17.933 -0.163 1.00 21.22 H new ATOM 0 HD3 LYS A 18 -2.940 -18.013 1.588 1.00 21.22 H new ATOM 0 HE2 LYS A 18 -4.635 -16.197 1.706 1.00 72.01 H new ATOM 0 HE3 LYS A 18 -4.643 -16.078 -0.043 1.00 72.01 H new ATOM 0 HZ1 LYS A 18 -6.483 -17.407 0.753 1.00 2.43 H new ATOM 0 HZ2 LYS A 18 -5.429 -18.368 -0.168 1.00 2.43 H new ATOM 0 HZ3 LYS A 18 -5.422 -18.483 1.527 1.00 2.43 H new ATOM 302 N TYR A 19 -1.918 -12.268 -1.804 1.00 44.01 N ATOM 303 CA TYR A 19 -2.048 -11.489 -3.046 1.00 31.54 C ATOM 304 C TYR A 19 -1.431 -10.084 -2.914 1.00 21.14 C ATOM 305 O TYR A 19 -1.637 -9.220 -3.769 1.00 72.45 O ATOM 306 CB TYR A 19 -3.534 -11.387 -3.435 1.00 21.45 C ATOM 307 CG TYR A 19 -4.443 -10.941 -2.297 1.00 55.14 C ATOM 308 CD1 TYR A 19 -4.944 -11.863 -1.383 1.00 14.42 C ATOM 309 CD2 TYR A 19 -4.802 -9.604 -2.140 1.00 62.25 C ATOM 310 CE1 TYR A 19 -5.770 -11.469 -0.346 1.00 3.51 C ATOM 311 CE2 TYR A 19 -5.627 -9.202 -1.105 1.00 53.40 C ATOM 312 CZ TYR A 19 -6.108 -10.137 -0.210 1.00 32.20 C ATOM 313 OH TYR A 19 -6.931 -9.740 0.824 1.00 74.43 O ATOM 0 H TYR A 19 -2.441 -11.884 -1.017 1.00 44.01 H new ATOM 0 HA TYR A 19 -1.497 -12.009 -3.829 1.00 31.54 H new ATOM 0 HB2 TYR A 19 -3.635 -10.686 -4.263 1.00 21.45 H new ATOM 0 HB3 TYR A 19 -3.872 -12.358 -3.797 1.00 21.45 H new ATOM 0 HD1 TYR A 19 -4.683 -12.906 -1.485 1.00 14.42 H new ATOM 0 HD2 TYR A 19 -4.430 -8.869 -2.838 1.00 62.25 H new ATOM 0 HE1 TYR A 19 -6.149 -12.199 0.354 1.00 3.51 H new ATOM 0 HE2 TYR A 19 -5.894 -8.161 -0.997 1.00 53.40 H new ATOM 0 HH TYR A 19 -6.512 -9.965 1.681 1.00 74.43 H new ATOM 323 N GLY A 20 -0.661 -9.868 -1.850 1.00 52.03 N ATOM 324 CA GLY A 20 -0.042 -8.563 -1.613 1.00 63.44 C ATOM 325 C GLY A 20 0.098 -8.241 -0.129 1.00 53.54 C ATOM 326 O GLY A 20 0.238 -9.140 0.691 1.00 41.54 O ATOM 0 H GLY A 20 -0.451 -10.572 -1.143 1.00 52.03 H new ATOM 0 HA2 GLY A 20 0.943 -8.542 -2.080 1.00 63.44 H new ATOM 0 HA3 GLY A 20 -0.640 -7.789 -2.094 1.00 63.44 H new ATOM 330 N ALA A 21 0.084 -6.959 0.217 1.00 62.44 N ATOM 331 CA ALA A 21 0.112 -6.539 1.623 1.00 53.41 C ATOM 332 C ALA A 21 -0.712 -5.266 1.840 1.00 22.23 C ATOM 333 O ALA A 21 -0.669 -4.345 1.025 1.00 3.42 O ATOM 334 CB ALA A 21 1.549 -6.327 2.083 1.00 4.40 C ATOM 0 H ALA A 21 0.054 -6.189 -0.452 1.00 62.44 H new ATOM 0 HA ALA A 21 -0.336 -7.333 2.220 1.00 53.41 H new ATOM 0 HB1 ALA A 21 1.554 -6.016 3.128 1.00 4.40 H new ATOM 0 HB2 ALA A 21 2.105 -7.258 1.979 1.00 4.40 H new ATOM 0 HB3 ALA A 21 2.016 -5.555 1.472 1.00 4.40 H new ATOM 340 N PHE A 22 -1.466 -5.214 2.935 1.00 53.12 N ATOM 341 CA PHE A 22 -2.267 -4.029 3.257 1.00 34.14 C ATOM 342 C PHE A 22 -1.428 -2.963 3.968 1.00 13.40 C ATOM 343 O PHE A 22 -0.798 -3.228 4.996 1.00 40.12 O ATOM 344 CB PHE A 22 -3.484 -4.406 4.112 1.00 3.42 C ATOM 345 CG PHE A 22 -4.592 -5.063 3.326 1.00 44.54 C ATOM 346 CD1 PHE A 22 -5.465 -4.299 2.560 1.00 42.42 C ATOM 347 CD2 PHE A 22 -4.764 -6.438 3.352 1.00 33.32 C ATOM 348 CE1 PHE A 22 -6.482 -4.893 1.839 1.00 74.33 C ATOM 349 CE2 PHE A 22 -5.783 -7.036 2.633 1.00 64.21 C ATOM 350 CZ PHE A 22 -6.642 -6.264 1.877 1.00 35.11 C ATOM 0 H PHE A 22 -1.541 -5.972 3.613 1.00 53.12 H new ATOM 0 HA PHE A 22 -2.620 -3.609 2.315 1.00 34.14 H new ATOM 0 HB2 PHE A 22 -3.165 -5.080 4.907 1.00 3.42 H new ATOM 0 HB3 PHE A 22 -3.873 -3.508 4.592 1.00 3.42 H new ATOM 0 HD1 PHE A 22 -5.346 -3.226 2.528 1.00 42.42 H new ATOM 0 HD2 PHE A 22 -4.095 -7.049 3.940 1.00 33.32 H new ATOM 0 HE1 PHE A 22 -7.151 -4.286 1.247 1.00 74.33 H new ATOM 0 HE2 PHE A 22 -5.907 -8.108 2.663 1.00 64.21 H new ATOM 0 HZ PHE A 22 -7.438 -6.731 1.316 1.00 35.11 H new ATOM 360 N ILE A 23 -1.424 -1.758 3.409 1.00 42.20 N ATOM 361 CA ILE A 23 -0.659 -0.642 3.965 1.00 61.11 C ATOM 362 C ILE A 23 -1.574 0.537 4.314 1.00 74.12 C ATOM 363 O ILE A 23 -2.420 0.941 3.511 1.00 72.13 O ATOM 364 CB ILE A 23 0.435 -0.163 2.972 1.00 60.50 C ATOM 365 CG1 ILE A 23 1.455 -1.283 2.709 1.00 73.45 C ATOM 366 CG2 ILE A 23 1.134 1.091 3.494 1.00 11.34 C ATOM 367 CD1 ILE A 23 2.564 -0.890 1.754 1.00 20.21 C ATOM 0 H ILE A 23 -1.946 -1.526 2.564 1.00 42.20 H new ATOM 0 HA ILE A 23 -0.181 -1.004 4.875 1.00 61.11 H new ATOM 0 HB ILE A 23 -0.050 0.088 2.029 1.00 60.50 H new ATOM 0 HG12 ILE A 23 1.897 -1.589 3.657 1.00 73.45 H new ATOM 0 HG13 ILE A 23 0.932 -2.150 2.306 1.00 73.45 H new ATOM 0 HG21 ILE A 23 1.896 1.407 2.781 1.00 11.34 H new ATOM 0 HG22 ILE A 23 0.403 1.889 3.621 1.00 11.34 H new ATOM 0 HG23 ILE A 23 1.603 0.873 4.453 1.00 11.34 H new ATOM 0 HD11 ILE A 23 3.243 -1.732 1.619 1.00 20.21 H new ATOM 0 HD12 ILE A 23 2.134 -0.612 0.792 1.00 20.21 H new ATOM 0 HD13 ILE A 23 3.114 -0.043 2.164 1.00 20.21 H new ATOM 379 N ASN A 24 -1.408 1.084 5.517 1.00 62.52 N ATOM 380 CA ASN A 24 -2.165 2.267 5.939 1.00 33.35 C ATOM 381 C ASN A 24 -1.294 3.530 5.866 1.00 44.41 C ATOM 382 O ASN A 24 -0.235 3.606 6.494 1.00 43.12 O ATOM 383 CB ASN A 24 -2.709 2.094 7.365 1.00 63.15 C ATOM 384 CG ASN A 24 -3.694 0.945 7.493 1.00 44.33 C ATOM 385 OD1 ASN A 24 -4.351 0.552 6.535 1.00 4.40 O ATOM 386 ND2 ASN A 24 -3.829 0.415 8.690 1.00 50.04 N ATOM 0 H ASN A 24 -0.757 0.729 6.218 1.00 62.52 H new ATOM 0 HA ASN A 24 -3.006 2.379 5.255 1.00 33.35 H new ATOM 0 HB2 ASN A 24 -1.876 1.928 8.047 1.00 63.15 H new ATOM 0 HB3 ASN A 24 -3.196 3.018 7.676 1.00 63.15 H new ATOM 0 HD21 ASN A 24 -4.494 -0.344 8.840 1.00 50.04 H new ATOM 0 HD22 ASN A 24 -3.269 0.763 9.468 1.00 50.04 H new ATOM 393 N LEU A 25 -1.739 4.514 5.089 1.00 23.44 N ATOM 394 CA LEU A 25 -1.032 5.797 4.980 1.00 52.42 C ATOM 395 C LEU A 25 -1.439 6.739 6.124 1.00 63.14 C ATOM 396 O LEU A 25 -0.679 7.627 6.520 1.00 34.10 O ATOM 397 CB LEU A 25 -1.342 6.472 3.633 1.00 11.12 C ATOM 398 CG LEU A 25 -1.045 5.635 2.376 1.00 51.04 C ATOM 399 CD1 LEU A 25 -1.428 6.402 1.113 1.00 41.15 C ATOM 400 CD2 LEU A 25 0.423 5.221 2.326 1.00 3.30 C ATOM 0 H LEU A 25 -2.586 4.452 4.524 1.00 23.44 H new ATOM 0 HA LEU A 25 0.037 5.596 5.044 1.00 52.42 H new ATOM 0 HB2 LEU A 25 -2.397 6.748 3.621 1.00 11.12 H new ATOM 0 HB3 LEU A 25 -0.770 7.398 3.573 1.00 11.12 H new ATOM 0 HG LEU A 25 -1.650 4.730 2.427 1.00 51.04 H new ATOM 0 HD11 LEU A 25 -1.210 5.792 0.237 1.00 41.15 H new ATOM 0 HD12 LEU A 25 -2.493 6.634 1.137 1.00 41.15 H new ATOM 0 HD13 LEU A 25 -0.856 7.328 1.062 1.00 41.15 H new ATOM 0 HD21 LEU A 25 0.604 4.631 1.428 1.00 3.30 H new ATOM 0 HD22 LEU A 25 1.052 6.111 2.308 1.00 3.30 H new ATOM 0 HD23 LEU A 25 0.663 4.625 3.206 1.00 3.30 H new ATOM 412 N ASN A 26 -2.646 6.525 6.644 1.00 43.31 N ATOM 413 CA ASN A 26 -3.226 7.383 7.681 1.00 23.13 C ATOM 414 C ASN A 26 -4.344 6.634 8.428 1.00 3.11 C ATOM 415 O ASN A 26 -4.853 5.626 7.941 1.00 24.20 O ATOM 416 CB ASN A 26 -3.776 8.670 7.035 1.00 4.45 C ATOM 417 CG ASN A 26 -4.380 9.638 8.039 1.00 34.43 C ATOM 418 OD1 ASN A 26 -3.941 9.722 9.179 1.00 71.31 O ATOM 419 ND2 ASN A 26 -5.389 10.378 7.624 1.00 13.44 N ATOM 0 H ASN A 26 -3.250 5.754 6.360 1.00 43.31 H new ATOM 0 HA ASN A 26 -2.453 7.650 8.402 1.00 23.13 H new ATOM 0 HB2 ASN A 26 -2.971 9.171 6.498 1.00 4.45 H new ATOM 0 HB3 ASN A 26 -4.533 8.403 6.298 1.00 4.45 H new ATOM 0 HD21 ASN A 26 -5.828 11.045 8.259 1.00 13.44 H new ATOM 0 HD22 ASN A 26 -5.731 10.284 6.668 1.00 13.44 H new ATOM 426 N GLU A 27 -4.723 7.137 9.601 1.00 63.25 N ATOM 427 CA GLU A 27 -5.814 6.558 10.406 1.00 32.22 C ATOM 428 C GLU A 27 -7.100 6.329 9.584 1.00 52.03 C ATOM 429 O GLU A 27 -7.908 5.453 9.900 1.00 55.35 O ATOM 430 CB GLU A 27 -6.112 7.490 11.591 1.00 33.34 C ATOM 431 CG GLU A 27 -7.233 7.011 12.511 1.00 74.35 C ATOM 432 CD GLU A 27 -7.485 7.968 13.666 1.00 40.35 C ATOM 433 OE1 GLU A 27 -8.276 8.920 13.495 1.00 11.12 O ATOM 434 OE2 GLU A 27 -6.883 7.780 14.746 1.00 33.31 O ATOM 0 H GLU A 27 -4.288 7.956 10.026 1.00 63.25 H new ATOM 0 HA GLU A 27 -5.484 5.581 10.759 1.00 32.22 H new ATOM 0 HB2 GLU A 27 -5.203 7.609 12.180 1.00 33.34 H new ATOM 0 HB3 GLU A 27 -6.373 8.475 11.205 1.00 33.34 H new ATOM 0 HG2 GLU A 27 -8.149 6.895 11.932 1.00 74.35 H new ATOM 0 HG3 GLU A 27 -6.979 6.028 12.907 1.00 74.35 H new ATOM 441 N GLN A 28 -7.293 7.130 8.535 1.00 14.15 N ATOM 442 CA GLN A 28 -8.487 7.027 7.680 1.00 54.43 C ATOM 443 C GLN A 28 -8.148 6.558 6.251 1.00 25.20 C ATOM 444 O GLN A 28 -9.009 6.559 5.370 1.00 64.50 O ATOM 445 CB GLN A 28 -9.193 8.390 7.627 1.00 62.20 C ATOM 446 CG GLN A 28 -9.763 8.840 8.969 1.00 33.12 C ATOM 447 CD GLN A 28 -10.925 7.977 9.431 1.00 60.44 C ATOM 448 OE1 GLN A 28 -12.081 8.258 9.126 1.00 62.43 O ATOM 449 NE2 GLN A 28 -10.632 6.914 10.154 1.00 12.33 N ATOM 0 H GLN A 28 -6.639 7.860 8.253 1.00 14.15 H new ATOM 0 HA GLN A 28 -9.144 6.276 8.118 1.00 54.43 H new ATOM 0 HB2 GLN A 28 -8.487 9.141 7.272 1.00 62.20 H new ATOM 0 HB3 GLN A 28 -10.001 8.342 6.897 1.00 62.20 H new ATOM 0 HG2 GLN A 28 -8.975 8.814 9.721 1.00 33.12 H new ATOM 0 HG3 GLN A 28 -10.094 9.876 8.890 1.00 33.12 H new ATOM 0 HE21 GLN A 28 -9.661 6.709 10.390 1.00 12.33 H new ATOM 0 HE22 GLN A 28 -11.376 6.296 10.478 1.00 12.33 H new ATOM 458 N VAL A 29 -6.903 6.136 6.031 1.00 21.54 N ATOM 459 CA VAL A 29 -6.435 5.758 4.690 1.00 35.21 C ATOM 460 C VAL A 29 -5.824 4.346 4.668 1.00 61.34 C ATOM 461 O VAL A 29 -4.765 4.106 5.251 1.00 43.34 O ATOM 462 CB VAL A 29 -5.391 6.767 4.153 1.00 41.52 C ATOM 463 CG1 VAL A 29 -4.864 6.321 2.791 1.00 3.32 C ATOM 464 CG2 VAL A 29 -5.987 8.174 4.072 1.00 61.12 C ATOM 0 H VAL A 29 -6.197 6.046 6.762 1.00 21.54 H new ATOM 0 HA VAL A 29 -7.315 5.768 4.046 1.00 35.21 H new ATOM 0 HB VAL A 29 -4.553 6.795 4.850 1.00 41.52 H new ATOM 0 HG11 VAL A 29 -4.131 7.043 2.430 1.00 3.32 H new ATOM 0 HG12 VAL A 29 -4.393 5.343 2.886 1.00 3.32 H new ATOM 0 HG13 VAL A 29 -5.691 6.259 2.084 1.00 3.32 H new ATOM 0 HG21 VAL A 29 -5.236 8.866 3.692 1.00 61.12 H new ATOM 0 HG22 VAL A 29 -6.846 8.167 3.401 1.00 61.12 H new ATOM 0 HG23 VAL A 29 -6.305 8.492 5.065 1.00 61.12 H new ATOM 474 N ARG A 30 -6.490 3.434 3.962 1.00 10.44 N ATOM 475 CA ARG A 30 -6.052 2.036 3.850 1.00 0.33 C ATOM 476 C ARG A 30 -6.021 1.582 2.379 1.00 52.43 C ATOM 477 O ARG A 30 -6.904 1.930 1.593 1.00 72.21 O ATOM 478 CB ARG A 30 -6.995 1.138 4.670 1.00 42.35 C ATOM 479 CG ARG A 30 -6.789 -0.361 4.453 1.00 71.02 C ATOM 480 CD ARG A 30 -7.688 -1.195 5.363 1.00 63.34 C ATOM 481 NE ARG A 30 -9.088 -0.767 5.307 1.00 33.13 N ATOM 482 CZ ARG A 30 -10.094 -1.482 5.728 1.00 41.33 C ATOM 483 NH1 ARG A 30 -9.919 -2.703 6.126 1.00 23.02 N ATOM 484 NH2 ARG A 30 -11.279 -0.974 5.726 1.00 12.12 N ATOM 0 H ARG A 30 -7.348 3.639 3.450 1.00 10.44 H new ATOM 0 HA ARG A 30 -5.039 1.953 4.244 1.00 0.33 H new ATOM 0 HB2 ARG A 30 -6.860 1.361 5.728 1.00 42.35 H new ATOM 0 HB3 ARG A 30 -8.025 1.390 4.420 1.00 42.35 H new ATOM 0 HG2 ARG A 30 -6.995 -0.609 3.412 1.00 71.02 H new ATOM 0 HG3 ARG A 30 -5.746 -0.615 4.641 1.00 71.02 H new ATOM 0 HD2 ARG A 30 -7.620 -2.244 5.075 1.00 63.34 H new ATOM 0 HD3 ARG A 30 -7.329 -1.122 6.390 1.00 63.34 H new ATOM 0 HE ARG A 30 -9.289 0.152 4.912 1.00 33.13 H new ATOM 0 HH11 ARG A 30 -8.986 -3.115 6.112 1.00 23.02 H new ATOM 0 HH12 ARG A 30 -10.714 -3.252 6.453 1.00 23.02 H new ATOM 0 HH21 ARG A 30 -11.424 -0.020 5.397 1.00 12.12 H new ATOM 0 HH22 ARG A 30 -12.071 -1.527 6.054 1.00 12.12 H new ATOM 498 N GLY A 31 -4.998 0.813 2.008 1.00 1.34 N ATOM 499 CA GLY A 31 -4.894 0.321 0.636 1.00 2.33 C ATOM 500 C GLY A 31 -4.152 -1.007 0.513 1.00 15.43 C ATOM 501 O GLY A 31 -3.736 -1.596 1.514 1.00 23.44 O ATOM 0 H GLY A 31 -4.241 0.521 2.627 1.00 1.34 H new ATOM 0 HA2 GLY A 31 -5.897 0.206 0.224 1.00 2.33 H new ATOM 0 HA3 GLY A 31 -4.384 1.069 0.029 1.00 2.33 H new ATOM 505 N LEU A 32 -3.975 -1.473 -0.722 1.00 3.04 N ATOM 506 CA LEU A 32 -3.337 -2.764 -0.990 1.00 41.33 C ATOM 507 C LEU A 32 -2.131 -2.613 -1.930 1.00 12.44 C ATOM 508 O LEU A 32 -2.232 -2.021 -3.009 1.00 53.11 O ATOM 509 CB LEU A 32 -4.357 -3.732 -1.608 1.00 22.04 C ATOM 510 CG LEU A 32 -3.815 -5.126 -1.971 1.00 4.22 C ATOM 511 CD1 LEU A 32 -3.361 -5.879 -0.721 1.00 12.14 C ATOM 512 CD2 LEU A 32 -4.865 -5.925 -2.739 1.00 54.21 C ATOM 0 H LEU A 32 -4.267 -0.972 -1.561 1.00 3.04 H new ATOM 0 HA LEU A 32 -2.978 -3.163 -0.041 1.00 41.33 H new ATOM 0 HB2 LEU A 32 -5.185 -3.854 -0.909 1.00 22.04 H new ATOM 0 HB3 LEU A 32 -4.765 -3.275 -2.509 1.00 22.04 H new ATOM 0 HG LEU A 32 -2.946 -4.997 -2.616 1.00 4.22 H new ATOM 0 HD11 LEU A 32 -2.982 -6.861 -1.005 1.00 12.14 H new ATOM 0 HD12 LEU A 32 -2.571 -5.316 -0.224 1.00 12.14 H new ATOM 0 HD13 LEU A 32 -4.205 -5.998 -0.041 1.00 12.14 H new ATOM 0 HD21 LEU A 32 -4.464 -6.908 -2.987 1.00 54.21 H new ATOM 0 HD22 LEU A 32 -5.756 -6.042 -2.122 1.00 54.21 H new ATOM 0 HD23 LEU A 32 -5.125 -5.397 -3.656 1.00 54.21 H new ATOM 524 N LEU A 33 -0.992 -3.153 -1.511 1.00 15.10 N ATOM 525 CA LEU A 33 0.220 -3.168 -2.332 1.00 23.43 C ATOM 526 C LEU A 33 0.434 -4.563 -2.943 1.00 30.44 C ATOM 527 O LEU A 33 0.519 -5.560 -2.224 1.00 64.00 O ATOM 528 CB LEU A 33 1.429 -2.759 -1.477 1.00 74.21 C ATOM 529 CG LEU A 33 2.780 -2.700 -2.213 1.00 13.44 C ATOM 530 CD1 LEU A 33 2.720 -1.740 -3.401 1.00 34.40 C ATOM 531 CD2 LEU A 33 3.896 -2.296 -1.249 1.00 53.33 C ATOM 0 H LEU A 33 -0.880 -3.592 -0.597 1.00 15.10 H new ATOM 0 HA LEU A 33 0.109 -2.454 -3.148 1.00 23.43 H new ATOM 0 HB2 LEU A 33 1.229 -1.779 -1.044 1.00 74.21 H new ATOM 0 HB3 LEU A 33 1.518 -3.461 -0.648 1.00 74.21 H new ATOM 0 HG LEU A 33 2.998 -3.696 -2.599 1.00 13.44 H new ATOM 0 HD11 LEU A 33 3.688 -1.719 -3.901 1.00 34.40 H new ATOM 0 HD12 LEU A 33 1.956 -2.076 -4.102 1.00 34.40 H new ATOM 0 HD13 LEU A 33 2.473 -0.739 -3.048 1.00 34.40 H new ATOM 0 HD21 LEU A 33 4.844 -2.259 -1.785 1.00 53.33 H new ATOM 0 HD22 LEU A 33 3.677 -1.314 -0.830 1.00 53.33 H new ATOM 0 HD23 LEU A 33 3.963 -3.027 -0.443 1.00 53.33 H new ATOM 543 N ARG A 34 0.513 -4.633 -4.270 1.00 30.21 N ATOM 544 CA ARG A 34 0.590 -5.920 -4.978 1.00 2.21 C ATOM 545 C ARG A 34 2.025 -6.246 -5.434 1.00 43.23 C ATOM 546 O ARG A 34 2.758 -5.366 -5.887 1.00 13.21 O ATOM 547 CB ARG A 34 -0.368 -5.901 -6.177 1.00 23.11 C ATOM 548 CG ARG A 34 -1.824 -5.691 -5.773 1.00 21.20 C ATOM 549 CD ARG A 34 -2.751 -5.551 -6.976 1.00 20.45 C ATOM 550 NE ARG A 34 -4.131 -5.301 -6.561 1.00 73.22 N ATOM 551 CZ ARG A 34 -4.724 -4.138 -6.640 1.00 2.42 C ATOM 552 NH1 ARG A 34 -4.118 -3.114 -7.152 1.00 31.21 N ATOM 553 NH2 ARG A 34 -5.931 -3.992 -6.205 1.00 31.14 N ATOM 0 H ARG A 34 0.526 -3.817 -4.881 1.00 30.21 H new ATOM 0 HA ARG A 34 0.293 -6.707 -4.284 1.00 2.21 H new ATOM 0 HB2 ARG A 34 -0.069 -5.108 -6.862 1.00 23.11 H new ATOM 0 HB3 ARG A 34 -0.280 -6.842 -6.721 1.00 23.11 H new ATOM 0 HG2 ARG A 34 -2.153 -6.531 -5.161 1.00 21.20 H new ATOM 0 HG3 ARG A 34 -1.900 -4.797 -5.154 1.00 21.20 H new ATOM 0 HD2 ARG A 34 -2.406 -4.734 -7.609 1.00 20.45 H new ATOM 0 HD3 ARG A 34 -2.709 -6.459 -7.577 1.00 20.45 H new ATOM 0 HE ARG A 34 -4.666 -6.084 -6.186 1.00 73.22 H new ATOM 0 HH11 ARG A 34 -3.164 -3.208 -7.501 1.00 31.21 H new ATOM 0 HH12 ARG A 34 -4.595 -2.214 -7.206 1.00 31.21 H new ATOM 0 HH21 ARG A 34 -6.426 -4.786 -5.798 1.00 31.14 H new ATOM 0 HH22 ARG A 34 -6.390 -3.083 -6.269 1.00 31.14 H new ATOM 567 N PRO A 35 2.438 -7.535 -5.348 1.00 62.13 N ATOM 568 CA PRO A 35 3.813 -7.962 -5.681 1.00 5.33 C ATOM 569 C PRO A 35 4.210 -7.671 -7.140 1.00 15.10 C ATOM 570 O PRO A 35 5.392 -7.662 -7.478 1.00 70.32 O ATOM 571 CB PRO A 35 3.801 -9.478 -5.413 1.00 33.31 C ATOM 572 CG PRO A 35 2.359 -9.865 -5.445 1.00 32.20 C ATOM 573 CD PRO A 35 1.603 -8.676 -4.922 1.00 73.21 C ATOM 0 HA PRO A 35 4.547 -7.415 -5.090 1.00 5.33 H new ATOM 0 HB2 PRO A 35 4.371 -10.017 -6.170 1.00 33.31 H new ATOM 0 HB3 PRO A 35 4.251 -9.712 -4.448 1.00 33.31 H new ATOM 0 HG2 PRO A 35 2.044 -10.114 -6.458 1.00 32.20 H new ATOM 0 HG3 PRO A 35 2.177 -10.746 -4.829 1.00 32.20 H new ATOM 0 HD2 PRO A 35 0.599 -8.620 -5.342 1.00 73.21 H new ATOM 0 HD3 PRO A 35 1.493 -8.713 -3.838 1.00 73.21 H new ATOM 581 N ARG A 36 3.217 -7.434 -7.994 1.00 32.22 N ATOM 582 CA ARG A 36 3.462 -7.091 -9.402 1.00 34.44 C ATOM 583 C ARG A 36 3.927 -5.632 -9.549 1.00 53.31 C ATOM 584 O ARG A 36 4.668 -5.288 -10.477 1.00 1.40 O ATOM 585 CB ARG A 36 2.183 -7.314 -10.216 1.00 63.42 C ATOM 586 CG ARG A 36 1.788 -8.780 -10.365 1.00 22.23 C ATOM 587 CD ARG A 36 0.422 -8.925 -11.031 1.00 11.44 C ATOM 588 NE ARG A 36 0.323 -8.147 -12.268 1.00 51.35 N ATOM 589 CZ ARG A 36 -0.783 -7.606 -12.711 1.00 70.53 C ATOM 590 NH1 ARG A 36 -1.899 -7.767 -12.070 1.00 70.21 N ATOM 591 NH2 ARG A 36 -0.774 -6.911 -13.800 1.00 14.20 N ATOM 0 H ARG A 36 2.230 -7.472 -7.739 1.00 32.22 H new ATOM 0 HA ARG A 36 4.255 -7.737 -9.778 1.00 34.44 H new ATOM 0 HB2 ARG A 36 1.364 -6.774 -9.741 1.00 63.42 H new ATOM 0 HB3 ARG A 36 2.316 -6.882 -11.208 1.00 63.42 H new ATOM 0 HG2 ARG A 36 2.540 -9.302 -10.956 1.00 22.23 H new ATOM 0 HG3 ARG A 36 1.768 -9.254 -9.384 1.00 22.23 H new ATOM 0 HD2 ARG A 36 0.236 -9.977 -11.250 1.00 11.44 H new ATOM 0 HD3 ARG A 36 -0.354 -8.602 -10.338 1.00 11.44 H new ATOM 0 HE ARG A 36 1.171 -8.019 -12.820 1.00 51.35 H new ATOM 0 HH11 ARG A 36 -1.920 -8.319 -11.213 1.00 70.21 H new ATOM 0 HH12 ARG A 36 -2.756 -7.341 -12.423 1.00 70.21 H new ATOM 0 HH21 ARG A 36 0.096 -6.783 -14.316 1.00 14.20 H new ATOM 0 HH22 ARG A 36 -1.637 -6.490 -14.144 1.00 14.20 H new ATOM 605 N ASP A 37 3.493 -4.785 -8.620 1.00 13.40 N ATOM 606 CA ASP A 37 3.822 -3.357 -8.632 1.00 32.11 C ATOM 607 C ASP A 37 5.057 -3.058 -7.761 1.00 13.43 C ATOM 608 O ASP A 37 5.381 -1.900 -7.494 1.00 21.44 O ATOM 609 CB ASP A 37 2.607 -2.557 -8.137 1.00 30.33 C ATOM 610 CG ASP A 37 1.369 -2.829 -8.974 1.00 3.42 C ATOM 611 OD1 ASP A 37 0.745 -3.899 -8.799 1.00 52.24 O ATOM 612 OD2 ASP A 37 1.015 -1.985 -9.825 1.00 72.52 O ATOM 0 H ASP A 37 2.903 -5.066 -7.837 1.00 13.40 H new ATOM 0 HA ASP A 37 4.065 -3.061 -9.652 1.00 32.11 H new ATOM 0 HB2 ASP A 37 2.405 -2.811 -7.097 1.00 30.33 H new ATOM 0 HB3 ASP A 37 2.838 -1.492 -8.166 1.00 30.33 H new ATOM 617 N MET A 38 5.748 -4.112 -7.330 1.00 35.34 N ATOM 618 CA MET A 38 6.942 -3.968 -6.488 1.00 52.53 C ATOM 619 C MET A 38 8.225 -3.912 -7.332 1.00 14.42 C ATOM 620 O MET A 38 8.456 -4.767 -8.188 1.00 71.41 O ATOM 621 CB MET A 38 7.025 -5.126 -5.488 1.00 53.13 C ATOM 622 CG MET A 38 5.811 -5.226 -4.578 1.00 41.13 C ATOM 623 SD MET A 38 5.537 -3.725 -3.621 1.00 52.34 S ATOM 624 CE MET A 38 6.941 -3.759 -2.516 1.00 23.22 C ATOM 0 H MET A 38 5.504 -5.078 -7.549 1.00 35.34 H new ATOM 0 HA MET A 38 6.855 -3.026 -5.946 1.00 52.53 H new ATOM 0 HB2 MET A 38 7.137 -6.062 -6.036 1.00 53.13 H new ATOM 0 HB3 MET A 38 7.919 -5.005 -4.877 1.00 53.13 H new ATOM 0 HG2 MET A 38 4.927 -5.435 -5.180 1.00 41.13 H new ATOM 0 HG3 MET A 38 5.940 -6.068 -3.898 1.00 41.13 H new ATOM 0 HE1 MET A 38 6.818 -2.996 -1.748 1.00 23.22 H new ATOM 0 HE2 MET A 38 7.010 -4.740 -2.045 1.00 23.22 H new ATOM 0 HE3 MET A 38 7.853 -3.562 -3.080 1.00 23.22 H new ATOM 634 N ILE A 39 9.057 -2.901 -7.087 1.00 51.53 N ATOM 635 CA ILE A 39 10.309 -2.729 -7.836 1.00 34.52 C ATOM 636 C ILE A 39 11.498 -3.458 -7.176 1.00 11.43 C ATOM 637 O ILE A 39 12.281 -4.121 -7.858 1.00 63.52 O ATOM 638 CB ILE A 39 10.662 -1.226 -7.993 1.00 12.04 C ATOM 639 CG1 ILE A 39 9.507 -0.469 -8.676 1.00 60.12 C ATOM 640 CG2 ILE A 39 11.964 -1.044 -8.775 1.00 52.43 C ATOM 641 CD1 ILE A 39 9.143 -0.999 -10.051 1.00 41.20 C ATOM 0 H ILE A 39 8.891 -2.187 -6.377 1.00 51.53 H new ATOM 0 HA ILE A 39 10.138 -3.173 -8.817 1.00 34.52 H new ATOM 0 HB ILE A 39 10.809 -0.808 -6.997 1.00 12.04 H new ATOM 0 HG12 ILE A 39 8.626 -0.518 -8.035 1.00 60.12 H new ATOM 0 HG13 ILE A 39 9.779 0.583 -8.765 1.00 60.12 H new ATOM 0 HG21 ILE A 39 12.186 0.019 -8.869 1.00 52.43 H new ATOM 0 HG22 ILE A 39 12.778 -1.539 -8.246 1.00 52.43 H new ATOM 0 HG23 ILE A 39 11.857 -1.482 -9.767 1.00 52.43 H new ATOM 0 HD11 ILE A 39 8.322 -0.411 -10.462 1.00 41.20 H new ATOM 0 HD12 ILE A 39 10.008 -0.925 -10.710 1.00 41.20 H new ATOM 0 HD13 ILE A 39 8.837 -2.042 -9.970 1.00 41.20 H new ATOM 653 N SER A 40 11.632 -3.334 -5.851 1.00 22.35 N ATOM 654 CA SER A 40 12.812 -3.878 -5.143 1.00 1.44 C ATOM 655 C SER A 40 12.452 -4.579 -3.817 1.00 0.43 C ATOM 656 O SER A 40 13.341 -4.953 -3.051 1.00 31.34 O ATOM 657 CB SER A 40 13.817 -2.745 -4.869 1.00 41.44 C ATOM 658 OG SER A 40 15.024 -3.226 -4.293 1.00 73.40 O ATOM 0 H SER A 40 10.953 -2.870 -5.248 1.00 22.35 H new ATOM 0 HA SER A 40 13.252 -4.634 -5.794 1.00 1.44 H new ATOM 0 HB2 SER A 40 14.042 -2.228 -5.802 1.00 41.44 H new ATOM 0 HB3 SER A 40 13.364 -2.013 -4.200 1.00 41.44 H new ATOM 0 HG SER A 40 14.819 -3.936 -3.650 1.00 73.40 H new ATOM 664 N LEU A 41 11.160 -4.772 -3.545 1.00 53.22 N ATOM 665 CA LEU A 41 10.732 -5.426 -2.294 1.00 5.14 C ATOM 666 C LEU A 41 9.731 -6.565 -2.540 1.00 72.51 C ATOM 667 O LEU A 41 8.653 -6.362 -3.098 1.00 72.03 O ATOM 668 CB LEU A 41 10.132 -4.400 -1.316 1.00 34.53 C ATOM 669 CG LEU A 41 11.142 -3.470 -0.620 1.00 23.31 C ATOM 670 CD1 LEU A 41 10.428 -2.537 0.356 1.00 50.25 C ATOM 671 CD2 LEU A 41 12.217 -4.282 0.102 1.00 70.30 C ATOM 0 H LEU A 41 10.397 -4.491 -4.161 1.00 53.22 H new ATOM 0 HA LEU A 41 11.626 -5.864 -1.850 1.00 5.14 H new ATOM 0 HB2 LEU A 41 9.414 -3.785 -1.859 1.00 34.53 H new ATOM 0 HB3 LEU A 41 9.575 -4.939 -0.550 1.00 34.53 H new ATOM 0 HG LEU A 41 11.629 -2.863 -1.383 1.00 23.31 H new ATOM 0 HD11 LEU A 41 11.158 -1.887 0.838 1.00 50.25 H new ATOM 0 HD12 LEU A 41 9.703 -1.929 -0.186 1.00 50.25 H new ATOM 0 HD13 LEU A 41 9.912 -3.128 1.113 1.00 50.25 H new ATOM 0 HD21 LEU A 41 12.920 -3.605 0.587 1.00 70.30 H new ATOM 0 HD22 LEU A 41 11.749 -4.918 0.853 1.00 70.30 H new ATOM 0 HD23 LEU A 41 12.749 -4.903 -0.619 1.00 70.30 H new ATOM 683 N ARG A 42 10.112 -7.767 -2.118 1.00 35.14 N ATOM 684 CA ARG A 42 9.238 -8.947 -2.180 1.00 75.13 C ATOM 685 C ARG A 42 8.410 -9.087 -0.891 1.00 20.20 C ATOM 686 O ARG A 42 8.868 -8.713 0.189 1.00 11.11 O ATOM 687 CB ARG A 42 10.094 -10.206 -2.390 1.00 32.44 C ATOM 688 CG ARG A 42 10.722 -10.305 -3.777 1.00 60.22 C ATOM 689 CD ARG A 42 9.683 -10.614 -4.853 1.00 73.32 C ATOM 690 NE ARG A 42 9.094 -11.942 -4.662 1.00 11.34 N ATOM 691 CZ ARG A 42 7.874 -12.270 -4.999 1.00 61.00 C ATOM 692 NH1 ARG A 42 7.097 -11.421 -5.596 1.00 44.12 N ATOM 693 NH2 ARG A 42 7.442 -13.467 -4.765 1.00 13.15 N ATOM 0 H ARG A 42 11.033 -7.956 -1.723 1.00 35.14 H new ATOM 0 HA ARG A 42 8.549 -8.826 -3.016 1.00 75.13 H new ATOM 0 HB2 ARG A 42 10.886 -10.223 -1.642 1.00 32.44 H new ATOM 0 HB3 ARG A 42 9.475 -11.087 -2.219 1.00 32.44 H new ATOM 0 HG2 ARG A 42 11.224 -9.367 -4.016 1.00 60.22 H new ATOM 0 HG3 ARG A 42 11.485 -11.083 -3.775 1.00 60.22 H new ATOM 0 HD2 ARG A 42 8.897 -9.859 -4.830 1.00 73.32 H new ATOM 0 HD3 ARG A 42 10.149 -10.559 -5.837 1.00 73.32 H new ATOM 0 HE ARG A 42 9.677 -12.662 -4.236 1.00 11.34 H new ATOM 0 HH11 ARG A 42 7.435 -10.483 -5.809 1.00 44.12 H new ATOM 0 HH12 ARG A 42 6.148 -11.692 -5.853 1.00 44.12 H new ATOM 0 HH21 ARG A 42 8.053 -14.151 -4.319 1.00 13.15 H new ATOM 0 HH22 ARG A 42 6.491 -13.726 -5.027 1.00 13.15 H new ATOM 707 N LEU A 43 7.200 -9.646 -1.005 1.00 1.21 N ATOM 708 CA LEU A 43 6.319 -9.845 0.164 1.00 71.45 C ATOM 709 C LEU A 43 7.035 -10.609 1.292 1.00 74.22 C ATOM 710 O LEU A 43 6.781 -10.379 2.476 1.00 23.44 O ATOM 711 CB LEU A 43 5.048 -10.603 -0.247 1.00 54.22 C ATOM 712 CG LEU A 43 4.193 -9.920 -1.329 1.00 51.33 C ATOM 713 CD1 LEU A 43 2.966 -10.765 -1.663 1.00 64.15 C ATOM 714 CD2 LEU A 43 3.777 -8.518 -0.888 1.00 73.42 C ATOM 0 H LEU A 43 6.805 -9.969 -1.888 1.00 1.21 H new ATOM 0 HA LEU A 43 6.049 -8.858 0.540 1.00 71.45 H new ATOM 0 HB2 LEU A 43 5.335 -11.592 -0.605 1.00 54.22 H new ATOM 0 HB3 LEU A 43 4.431 -10.751 0.639 1.00 54.22 H new ATOM 0 HG LEU A 43 4.799 -9.827 -2.230 1.00 51.33 H new ATOM 0 HD11 LEU A 43 2.376 -10.263 -2.430 1.00 64.15 H new ATOM 0 HD12 LEU A 43 3.285 -11.740 -2.031 1.00 64.15 H new ATOM 0 HD13 LEU A 43 2.360 -10.896 -0.767 1.00 64.15 H new ATOM 0 HD21 LEU A 43 3.174 -8.055 -1.669 1.00 73.42 H new ATOM 0 HD22 LEU A 43 3.194 -8.584 0.030 1.00 73.42 H new ATOM 0 HD23 LEU A 43 4.666 -7.914 -0.710 1.00 73.42 H new ATOM 726 N GLU A 44 7.938 -11.504 0.905 1.00 13.11 N ATOM 727 CA GLU A 44 8.731 -12.302 1.854 1.00 62.42 C ATOM 728 C GLU A 44 9.515 -11.412 2.835 1.00 32.35 C ATOM 729 O GLU A 44 9.721 -11.768 3.997 1.00 13.42 O ATOM 730 CB GLU A 44 9.724 -13.171 1.072 1.00 13.41 C ATOM 731 CG GLU A 44 9.088 -13.957 -0.066 1.00 25.44 C ATOM 732 CD GLU A 44 10.117 -14.585 -0.989 1.00 42.42 C ATOM 733 OE1 GLU A 44 10.653 -13.867 -1.857 1.00 53.53 O ATOM 734 OE2 GLU A 44 10.394 -15.796 -0.857 1.00 74.25 O ATOM 0 H GLU A 44 8.146 -11.702 -0.074 1.00 13.11 H new ATOM 0 HA GLU A 44 8.042 -12.919 2.431 1.00 62.42 H new ATOM 0 HB2 GLU A 44 10.510 -12.533 0.666 1.00 13.41 H new ATOM 0 HB3 GLU A 44 10.203 -13.868 1.760 1.00 13.41 H new ATOM 0 HG2 GLU A 44 8.452 -14.739 0.349 1.00 25.44 H new ATOM 0 HG3 GLU A 44 8.443 -13.295 -0.644 1.00 25.44 H new ATOM 741 N ASN A 45 9.946 -10.251 2.350 1.00 71.22 N ATOM 742 CA ASN A 45 10.796 -9.341 3.126 1.00 23.34 C ATOM 743 C ASN A 45 9.983 -8.269 3.861 1.00 30.43 C ATOM 744 O ASN A 45 10.543 -7.443 4.584 1.00 12.42 O ATOM 745 CB ASN A 45 11.813 -8.679 2.192 1.00 51.44 C ATOM 746 CG ASN A 45 12.700 -9.697 1.499 1.00 31.13 C ATOM 747 OD1 ASN A 45 13.006 -10.751 2.047 1.00 25.10 O ATOM 748 ND2 ASN A 45 13.120 -9.395 0.288 1.00 24.10 N ATOM 0 H ASN A 45 9.720 -9.912 1.415 1.00 71.22 H new ATOM 0 HA ASN A 45 11.309 -9.930 3.886 1.00 23.34 H new ATOM 0 HB2 ASN A 45 11.286 -8.089 1.443 1.00 51.44 H new ATOM 0 HB3 ASN A 45 12.433 -7.988 2.763 1.00 51.44 H new ATOM 0 HD21 ASN A 45 13.717 -10.046 -0.222 1.00 24.10 H new ATOM 0 HD22 ASN A 45 12.848 -8.510 -0.140 1.00 24.10 H new ATOM 755 N LEU A 46 8.666 -8.283 3.687 1.00 0.32 N ATOM 756 CA LEU A 46 7.799 -7.287 4.324 1.00 44.32 C ATOM 757 C LEU A 46 7.255 -7.816 5.663 1.00 43.40 C ATOM 758 O LEU A 46 6.610 -8.866 5.712 1.00 73.22 O ATOM 759 CB LEU A 46 6.637 -6.914 3.389 1.00 33.55 C ATOM 760 CG LEU A 46 7.033 -6.542 1.946 1.00 12.20 C ATOM 761 CD1 LEU A 46 5.833 -5.991 1.178 1.00 70.55 C ATOM 762 CD2 LEU A 46 8.193 -5.548 1.932 1.00 61.35 C ATOM 0 H LEU A 46 8.173 -8.968 3.114 1.00 0.32 H new ATOM 0 HA LEU A 46 8.392 -6.394 4.522 1.00 44.32 H new ATOM 0 HB2 LEU A 46 5.942 -7.753 3.351 1.00 33.55 H new ATOM 0 HB3 LEU A 46 6.098 -6.074 3.827 1.00 33.55 H new ATOM 0 HG LEU A 46 7.367 -7.451 1.446 1.00 12.20 H new ATOM 0 HD11 LEU A 46 6.137 -5.736 0.163 1.00 70.55 H new ATOM 0 HD12 LEU A 46 5.046 -6.745 1.143 1.00 70.55 H new ATOM 0 HD13 LEU A 46 5.458 -5.099 1.680 1.00 70.55 H new ATOM 0 HD21 LEU A 46 8.451 -5.304 0.901 1.00 61.35 H new ATOM 0 HD22 LEU A 46 7.900 -4.639 2.458 1.00 61.35 H new ATOM 0 HD23 LEU A 46 9.057 -5.991 2.427 1.00 61.35 H new ATOM 774 N ASN A 47 7.525 -7.089 6.748 1.00 23.32 N ATOM 775 CA ASN A 47 7.080 -7.495 8.090 1.00 61.01 C ATOM 776 C ASN A 47 6.046 -6.505 8.653 1.00 75.43 C ATOM 777 O ASN A 47 6.002 -5.339 8.252 1.00 50.13 O ATOM 778 CB ASN A 47 8.281 -7.585 9.042 1.00 63.32 C ATOM 779 CG ASN A 47 9.405 -8.439 8.485 1.00 52.24 C ATOM 780 OD1 ASN A 47 9.483 -9.639 8.734 1.00 25.22 O ATOM 781 ND2 ASN A 47 10.284 -7.823 7.721 1.00 41.43 N ATOM 0 H ASN A 47 8.050 -6.215 6.728 1.00 23.32 H new ATOM 0 HA ASN A 47 6.610 -8.475 8.006 1.00 61.01 H new ATOM 0 HB2 ASN A 47 8.657 -6.582 9.242 1.00 63.32 H new ATOM 0 HB3 ASN A 47 7.954 -7.999 9.996 1.00 63.32 H new ATOM 0 HD21 ASN A 47 11.061 -8.344 7.315 1.00 41.43 H new ATOM 0 HD22 ASN A 47 10.188 -6.825 7.536 1.00 41.43 H new ATOM 788 N VAL A 48 5.220 -6.972 9.591 1.00 2.05 N ATOM 789 CA VAL A 48 4.212 -6.118 10.230 1.00 21.34 C ATOM 790 C VAL A 48 4.872 -4.960 11.001 1.00 61.50 C ATOM 791 O VAL A 48 5.559 -5.174 12.004 1.00 54.25 O ATOM 792 CB VAL A 48 3.313 -6.933 11.199 1.00 52.04 C ATOM 793 CG1 VAL A 48 2.283 -6.033 11.882 1.00 21.34 C ATOM 794 CG2 VAL A 48 2.628 -8.082 10.457 1.00 72.24 C ATOM 0 H VAL A 48 5.228 -7.935 9.926 1.00 2.05 H new ATOM 0 HA VAL A 48 3.592 -5.708 9.433 1.00 21.34 H new ATOM 0 HB VAL A 48 3.949 -7.358 11.976 1.00 52.04 H new ATOM 0 HG11 VAL A 48 1.667 -6.630 12.555 1.00 21.34 H new ATOM 0 HG12 VAL A 48 2.797 -5.259 12.452 1.00 21.34 H new ATOM 0 HG13 VAL A 48 1.649 -5.567 11.127 1.00 21.34 H new ATOM 0 HG21 VAL A 48 2.002 -8.642 11.152 1.00 72.24 H new ATOM 0 HG22 VAL A 48 2.009 -7.680 9.655 1.00 72.24 H new ATOM 0 HG23 VAL A 48 3.384 -8.744 10.035 1.00 72.24 H new ATOM 804 N GLY A 49 4.661 -3.736 10.525 1.00 24.01 N ATOM 805 CA GLY A 49 5.252 -2.562 11.162 1.00 53.33 C ATOM 806 C GLY A 49 6.258 -1.830 10.274 1.00 25.32 C ATOM 807 O GLY A 49 6.639 -0.696 10.572 1.00 74.00 O ATOM 0 H GLY A 49 4.089 -3.531 9.706 1.00 24.01 H new ATOM 0 HA2 GLY A 49 4.457 -1.871 11.443 1.00 53.33 H new ATOM 0 HA3 GLY A 49 5.748 -2.869 12.083 1.00 53.33 H new ATOM 811 N ASP A 50 6.696 -2.468 9.187 1.00 53.25 N ATOM 812 CA ASP A 50 7.649 -1.840 8.263 1.00 54.32 C ATOM 813 C ASP A 50 7.000 -0.693 7.471 1.00 22.32 C ATOM 814 O ASP A 50 5.909 -0.835 6.916 1.00 71.54 O ATOM 815 CB ASP A 50 8.255 -2.880 7.305 1.00 72.35 C ATOM 816 CG ASP A 50 9.264 -3.791 7.988 1.00 34.02 C ATOM 817 OD1 ASP A 50 9.922 -3.343 8.954 1.00 71.14 O ATOM 818 OD2 ASP A 50 9.434 -4.945 7.541 1.00 63.41 O ATOM 0 H ASP A 50 6.410 -3.411 8.924 1.00 53.25 H new ATOM 0 HA ASP A 50 8.452 -1.416 8.866 1.00 54.32 H new ATOM 0 HB2 ASP A 50 7.455 -3.486 6.880 1.00 72.35 H new ATOM 0 HB3 ASP A 50 8.740 -2.365 6.476 1.00 72.35 H new ATOM 823 N GLU A 51 7.689 0.446 7.430 1.00 14.13 N ATOM 824 CA GLU A 51 7.196 1.643 6.739 1.00 2.23 C ATOM 825 C GLU A 51 7.738 1.718 5.301 1.00 5.03 C ATOM 826 O GLU A 51 8.943 1.858 5.084 1.00 50.15 O ATOM 827 CB GLU A 51 7.605 2.890 7.535 1.00 31.02 C ATOM 828 CG GLU A 51 7.004 2.930 8.939 1.00 5.32 C ATOM 829 CD GLU A 51 7.609 4.010 9.820 1.00 15.23 C ATOM 830 OE1 GLU A 51 7.459 5.209 9.491 1.00 22.01 O ATOM 831 OE2 GLU A 51 8.242 3.663 10.842 1.00 25.13 O ATOM 0 H GLU A 51 8.600 0.568 7.871 1.00 14.13 H new ATOM 0 HA GLU A 51 6.109 1.591 6.677 1.00 2.23 H new ATOM 0 HB2 GLU A 51 8.692 2.925 7.611 1.00 31.02 H new ATOM 0 HB3 GLU A 51 7.295 3.780 6.988 1.00 31.02 H new ATOM 0 HG2 GLU A 51 5.929 3.093 8.862 1.00 5.32 H new ATOM 0 HG3 GLU A 51 7.146 1.960 9.415 1.00 5.32 H new ATOM 838 N ILE A 52 6.839 1.624 4.322 1.00 11.01 N ATOM 839 CA ILE A 52 7.223 1.605 2.901 1.00 12.51 C ATOM 840 C ILE A 52 6.674 2.825 2.133 1.00 45.02 C ATOM 841 O ILE A 52 5.576 3.308 2.409 1.00 32.13 O ATOM 842 CB ILE A 52 6.724 0.305 2.213 1.00 14.30 C ATOM 843 CG1 ILE A 52 7.288 -0.935 2.932 1.00 24.24 C ATOM 844 CG2 ILE A 52 7.104 0.288 0.732 1.00 5.44 C ATOM 845 CD1 ILE A 52 6.854 -2.248 2.316 1.00 51.32 C ATOM 0 H ILE A 52 5.834 1.559 4.483 1.00 11.01 H new ATOM 0 HA ILE A 52 8.312 1.644 2.873 1.00 12.51 H new ATOM 0 HB ILE A 52 5.636 0.281 2.281 1.00 14.30 H new ATOM 0 HG12 ILE A 52 8.377 -0.883 2.925 1.00 24.24 H new ATOM 0 HG13 ILE A 52 6.974 -0.913 3.976 1.00 24.24 H new ATOM 0 HG21 ILE A 52 6.743 -0.633 0.274 1.00 5.44 H new ATOM 0 HG22 ILE A 52 6.652 1.144 0.231 1.00 5.44 H new ATOM 0 HG23 ILE A 52 8.188 0.341 0.634 1.00 5.44 H new ATOM 0 HD11 ILE A 52 7.291 -3.075 2.876 1.00 51.32 H new ATOM 0 HD12 ILE A 52 5.767 -2.323 2.347 1.00 51.32 H new ATOM 0 HD13 ILE A 52 7.191 -2.293 1.281 1.00 51.32 H new ATOM 857 N ILE A 53 7.458 3.319 1.169 1.00 23.11 N ATOM 858 CA ILE A 53 7.040 4.433 0.307 1.00 21.12 C ATOM 859 C ILE A 53 6.309 3.917 -0.945 1.00 2.12 C ATOM 860 O ILE A 53 6.883 3.182 -1.752 1.00 60.42 O ATOM 861 CB ILE A 53 8.261 5.284 -0.133 1.00 11.21 C ATOM 862 CG1 ILE A 53 9.040 5.778 1.100 1.00 13.14 C ATOM 863 CG2 ILE A 53 7.815 6.464 -1.000 1.00 10.42 C ATOM 864 CD1 ILE A 53 10.290 6.569 0.768 1.00 43.04 C ATOM 0 H ILE A 53 8.392 2.963 0.964 1.00 23.11 H new ATOM 0 HA ILE A 53 6.360 5.055 0.889 1.00 21.12 H new ATOM 0 HB ILE A 53 8.922 4.656 -0.731 1.00 11.21 H new ATOM 0 HG12 ILE A 53 8.381 6.399 1.708 1.00 13.14 H new ATOM 0 HG13 ILE A 53 9.319 4.918 1.709 1.00 13.14 H new ATOM 0 HG21 ILE A 53 8.687 7.047 -1.297 1.00 10.42 H new ATOM 0 HG22 ILE A 53 7.308 6.091 -1.890 1.00 10.42 H new ATOM 0 HG23 ILE A 53 7.133 7.096 -0.431 1.00 10.42 H new ATOM 0 HD11 ILE A 53 10.780 6.880 1.691 1.00 43.04 H new ATOM 0 HD12 ILE A 53 10.971 5.947 0.188 1.00 43.04 H new ATOM 0 HD13 ILE A 53 10.019 7.450 0.187 1.00 43.04 H new ATOM 876 N VAL A 54 5.043 4.302 -1.100 1.00 2.21 N ATOM 877 CA VAL A 54 4.221 3.832 -2.223 1.00 60.53 C ATOM 878 C VAL A 54 3.440 4.976 -2.893 1.00 72.20 C ATOM 879 O VAL A 54 3.144 6.001 -2.273 1.00 11.41 O ATOM 880 CB VAL A 54 3.214 2.742 -1.769 1.00 70.34 C ATOM 881 CG1 VAL A 54 3.941 1.486 -1.290 1.00 12.31 C ATOM 882 CG2 VAL A 54 2.285 3.282 -0.680 1.00 42.53 C ATOM 0 H VAL A 54 4.561 4.938 -0.464 1.00 2.21 H new ATOM 0 HA VAL A 54 4.917 3.411 -2.948 1.00 60.53 H new ATOM 0 HB VAL A 54 2.606 2.467 -2.631 1.00 70.34 H new ATOM 0 HG11 VAL A 54 3.211 0.739 -0.978 1.00 12.31 H new ATOM 0 HG12 VAL A 54 4.547 1.084 -2.102 1.00 12.31 H new ATOM 0 HG13 VAL A 54 4.585 1.737 -0.447 1.00 12.31 H new ATOM 0 HG21 VAL A 54 1.587 2.501 -0.377 1.00 42.53 H new ATOM 0 HG22 VAL A 54 2.876 3.595 0.181 1.00 42.53 H new ATOM 0 HG23 VAL A 54 1.728 4.136 -1.067 1.00 42.53 H new ATOM 892 N GLN A 55 3.118 4.791 -4.171 1.00 4.31 N ATOM 893 CA GLN A 55 2.262 5.727 -4.903 1.00 0.53 C ATOM 894 C GLN A 55 0.833 5.176 -5.007 1.00 73.45 C ATOM 895 O GLN A 55 0.625 4.029 -5.412 1.00 31.40 O ATOM 896 CB GLN A 55 2.823 5.994 -6.309 1.00 64.03 C ATOM 897 CG GLN A 55 2.003 7.001 -7.116 1.00 32.02 C ATOM 898 CD GLN A 55 2.547 7.232 -8.517 1.00 31.21 C ATOM 899 OE1 GLN A 55 3.145 6.348 -9.120 1.00 13.02 O ATOM 900 NE2 GLN A 55 2.337 8.417 -9.049 1.00 30.31 N ATOM 0 H GLN A 55 3.438 3.997 -4.726 1.00 4.31 H new ATOM 0 HA GLN A 55 2.241 6.667 -4.352 1.00 0.53 H new ATOM 0 HB2 GLN A 55 3.846 6.360 -6.219 1.00 64.03 H new ATOM 0 HB3 GLN A 55 2.868 5.053 -6.857 1.00 64.03 H new ATOM 0 HG2 GLN A 55 0.974 6.648 -7.187 1.00 32.02 H new ATOM 0 HG3 GLN A 55 1.978 7.951 -6.582 1.00 32.02 H new ATOM 0 HE21 GLN A 55 1.836 9.131 -8.521 1.00 30.31 H new ATOM 0 HE22 GLN A 55 2.675 8.621 -9.989 1.00 30.31 H new ATOM 909 N ALA A 56 -0.145 5.995 -4.639 1.00 13.15 N ATOM 910 CA ALA A 56 -1.551 5.593 -4.702 1.00 2.34 C ATOM 911 C ALA A 56 -2.106 5.724 -6.128 1.00 14.32 C ATOM 912 O ALA A 56 -2.479 6.813 -6.555 1.00 52.20 O ATOM 913 CB ALA A 56 -2.379 6.424 -3.727 1.00 13.22 C ATOM 0 H ALA A 56 0.007 6.943 -4.293 1.00 13.15 H new ATOM 0 HA ALA A 56 -1.616 4.543 -4.416 1.00 2.34 H new ATOM 0 HB1 ALA A 56 -3.423 6.116 -3.782 1.00 13.22 H new ATOM 0 HB2 ALA A 56 -2.009 6.271 -2.713 1.00 13.22 H new ATOM 0 HB3 ALA A 56 -2.297 7.479 -3.988 1.00 13.22 H new ATOM 919 N ILE A 57 -2.150 4.612 -6.859 1.00 35.33 N ATOM 920 CA ILE A 57 -2.618 4.610 -8.253 1.00 65.53 C ATOM 921 C ILE A 57 -4.080 5.087 -8.364 1.00 10.03 C ATOM 922 O ILE A 57 -4.368 6.087 -9.027 1.00 71.35 O ATOM 923 CB ILE A 57 -2.499 3.198 -8.886 1.00 52.31 C ATOM 924 CG1 ILE A 57 -1.071 2.646 -8.727 1.00 75.43 C ATOM 925 CG2 ILE A 57 -2.891 3.242 -10.363 1.00 51.53 C ATOM 926 CD1 ILE A 57 -0.892 1.253 -9.297 1.00 51.03 C ATOM 0 H ILE A 57 -1.867 3.695 -6.512 1.00 35.33 H new ATOM 0 HA ILE A 57 -1.977 5.304 -8.796 1.00 65.53 H new ATOM 0 HB ILE A 57 -3.183 2.531 -8.362 1.00 52.31 H new ATOM 0 HG12 ILE A 57 -0.372 3.323 -9.218 1.00 75.43 H new ATOM 0 HG13 ILE A 57 -0.811 2.633 -7.668 1.00 75.43 H new ATOM 0 HG21 ILE A 57 -2.802 2.244 -10.793 1.00 51.53 H new ATOM 0 HG22 ILE A 57 -3.921 3.587 -10.456 1.00 51.53 H new ATOM 0 HG23 ILE A 57 -2.230 3.926 -10.895 1.00 51.53 H new ATOM 0 HD11 ILE A 57 0.138 0.929 -9.149 1.00 51.03 H new ATOM 0 HD12 ILE A 57 -1.566 0.563 -8.789 1.00 51.03 H new ATOM 0 HD13 ILE A 57 -1.119 1.264 -10.363 1.00 51.03 H new ATOM 938 N ASP A 58 -4.996 4.364 -7.717 1.00 43.31 N ATOM 939 CA ASP A 58 -6.425 4.712 -7.718 1.00 20.13 C ATOM 940 C ASP A 58 -7.030 4.647 -6.304 1.00 12.31 C ATOM 941 O ASP A 58 -6.557 3.900 -5.444 1.00 64.41 O ATOM 942 CB ASP A 58 -7.208 3.792 -8.665 1.00 33.42 C ATOM 943 CG ASP A 58 -6.925 4.078 -10.132 1.00 23.13 C ATOM 944 OD1 ASP A 58 -7.548 5.013 -10.686 1.00 42.43 O ATOM 945 OD2 ASP A 58 -6.098 3.374 -10.741 1.00 14.20 O ATOM 0 H ASP A 58 -4.774 3.526 -7.180 1.00 43.31 H new ATOM 0 HA ASP A 58 -6.505 5.740 -8.072 1.00 20.13 H new ATOM 0 HB2 ASP A 58 -6.956 2.754 -8.447 1.00 33.42 H new ATOM 0 HB3 ASP A 58 -8.275 3.907 -8.476 1.00 33.42 H new ATOM 950 N VAL A 59 -8.090 5.426 -6.078 1.00 41.34 N ATOM 951 CA VAL A 59 -8.739 5.513 -4.760 1.00 50.42 C ATOM 952 C VAL A 59 -10.264 5.379 -4.887 1.00 32.11 C ATOM 953 O VAL A 59 -10.907 6.195 -5.550 1.00 60.55 O ATOM 954 CB VAL A 59 -8.412 6.860 -4.059 1.00 11.12 C ATOM 955 CG1 VAL A 59 -9.080 6.940 -2.686 1.00 21.11 C ATOM 956 CG2 VAL A 59 -6.902 7.064 -3.944 1.00 72.55 C ATOM 0 H VAL A 59 -8.522 6.011 -6.793 1.00 41.34 H new ATOM 0 HA VAL A 59 -8.350 4.691 -4.159 1.00 50.42 H new ATOM 0 HB VAL A 59 -8.814 7.664 -4.675 1.00 11.12 H new ATOM 0 HG11 VAL A 59 -8.835 7.893 -2.217 1.00 21.11 H new ATOM 0 HG12 VAL A 59 -10.161 6.860 -2.802 1.00 21.11 H new ATOM 0 HG13 VAL A 59 -8.721 6.124 -2.059 1.00 21.11 H new ATOM 0 HG21 VAL A 59 -6.700 8.014 -3.450 1.00 72.55 H new ATOM 0 HG22 VAL A 59 -6.469 6.252 -3.360 1.00 72.55 H new ATOM 0 HG23 VAL A 59 -6.459 7.072 -4.940 1.00 72.55 H new ATOM 966 N ARG A 60 -10.844 4.353 -4.258 1.00 1.42 N ATOM 967 CA ARG A 60 -12.301 4.145 -4.298 1.00 0.22 C ATOM 968 C ARG A 60 -12.904 4.073 -2.883 1.00 50.33 C ATOM 969 O ARG A 60 -12.882 3.019 -2.239 1.00 45.41 O ATOM 970 CB ARG A 60 -12.636 2.865 -5.078 1.00 73.14 C ATOM 971 CG ARG A 60 -12.160 2.895 -6.526 1.00 74.00 C ATOM 972 CD ARG A 60 -12.553 1.633 -7.282 1.00 52.35 C ATOM 973 NE ARG A 60 -14.003 1.459 -7.360 1.00 72.42 N ATOM 974 CZ ARG A 60 -14.592 0.336 -7.675 1.00 5.11 C ATOM 975 NH1 ARG A 60 -13.899 -0.722 -7.959 1.00 73.41 N ATOM 976 NH2 ARG A 60 -15.880 0.274 -7.714 1.00 22.51 N ATOM 0 H ARG A 60 -10.334 3.655 -3.717 1.00 1.42 H new ATOM 0 HA ARG A 60 -12.742 5.002 -4.807 1.00 0.22 H new ATOM 0 HB2 ARG A 60 -12.184 2.012 -4.572 1.00 73.14 H new ATOM 0 HB3 ARG A 60 -13.715 2.710 -5.061 1.00 73.14 H new ATOM 0 HG2 ARG A 60 -12.583 3.765 -7.029 1.00 74.00 H new ATOM 0 HG3 ARG A 60 -11.076 3.009 -6.549 1.00 74.00 H new ATOM 0 HD2 ARG A 60 -12.140 1.673 -8.290 1.00 52.35 H new ATOM 0 HD3 ARG A 60 -12.112 0.766 -6.791 1.00 52.35 H new ATOM 0 HE ARG A 60 -14.592 2.266 -7.155 1.00 72.42 H new ATOM 0 HH11 ARG A 60 -12.880 -0.685 -7.938 1.00 73.41 H new ATOM 0 HH12 ARG A 60 -14.373 -1.592 -8.203 1.00 73.41 H new ATOM 0 HH21 ARG A 60 -16.437 1.101 -7.499 1.00 22.51 H new ATOM 0 HH22 ARG A 60 -16.341 -0.602 -7.960 1.00 22.51 H new ATOM 990 N PRO A 61 -13.463 5.200 -2.387 1.00 24.44 N ATOM 991 CA PRO A 61 -14.051 5.281 -1.033 1.00 52.02 C ATOM 992 C PRO A 61 -15.190 4.270 -0.791 1.00 43.43 C ATOM 993 O PRO A 61 -15.427 3.858 0.347 1.00 3.55 O ATOM 994 CB PRO A 61 -14.577 6.729 -0.947 1.00 73.42 C ATOM 995 CG PRO A 61 -14.644 7.210 -2.358 1.00 23.11 C ATOM 996 CD PRO A 61 -13.549 6.491 -3.095 1.00 32.20 C ATOM 0 HA PRO A 61 -13.312 5.034 -0.271 1.00 52.02 H new ATOM 0 HB2 PRO A 61 -15.558 6.763 -0.473 1.00 73.42 H new ATOM 0 HB3 PRO A 61 -13.913 7.354 -0.350 1.00 73.42 H new ATOM 0 HG2 PRO A 61 -15.617 6.993 -2.798 1.00 23.11 H new ATOM 0 HG3 PRO A 61 -14.504 8.290 -2.409 1.00 23.11 H new ATOM 0 HD2 PRO A 61 -13.792 6.358 -4.149 1.00 32.20 H new ATOM 0 HD3 PRO A 61 -12.607 7.038 -3.052 1.00 32.20 H new ATOM 1004 N GLU A 62 -15.897 3.876 -1.857 1.00 22.03 N ATOM 1005 CA GLU A 62 -16.960 2.862 -1.747 1.00 60.21 C ATOM 1006 C GLU A 62 -16.406 1.519 -1.228 1.00 43.34 C ATOM 1007 O GLU A 62 -17.048 0.823 -0.437 1.00 14.54 O ATOM 1008 CB GLU A 62 -17.642 2.641 -3.109 1.00 5.33 C ATOM 1009 CG GLU A 62 -16.715 2.057 -4.175 1.00 23.34 C ATOM 1010 CD GLU A 62 -17.436 1.689 -5.462 1.00 61.22 C ATOM 1011 OE1 GLU A 62 -18.219 0.713 -5.455 1.00 12.51 O ATOM 1012 OE2 GLU A 62 -17.216 2.359 -6.492 1.00 31.33 O ATOM 0 H GLU A 62 -15.756 4.239 -2.800 1.00 22.03 H new ATOM 0 HA GLU A 62 -17.692 3.236 -1.031 1.00 60.21 H new ATOM 0 HB2 GLU A 62 -18.493 1.973 -2.975 1.00 5.33 H new ATOM 0 HB3 GLU A 62 -18.037 3.592 -3.466 1.00 5.33 H new ATOM 0 HG2 GLU A 62 -15.931 2.780 -4.400 1.00 23.34 H new ATOM 0 HG3 GLU A 62 -16.225 1.169 -3.774 1.00 23.34 H new ATOM 1019 N LYS A 63 -15.205 1.166 -1.687 1.00 40.20 N ATOM 1020 CA LYS A 63 -14.546 -0.081 -1.283 1.00 30.23 C ATOM 1021 C LYS A 63 -13.600 0.145 -0.096 1.00 71.14 C ATOM 1022 O LYS A 63 -13.202 -0.809 0.577 1.00 1.11 O ATOM 1023 CB LYS A 63 -13.740 -0.656 -2.458 1.00 11.54 C ATOM 1024 CG LYS A 63 -14.576 -1.049 -3.676 1.00 73.13 C ATOM 1025 CD LYS A 63 -15.532 -2.204 -3.373 1.00 5.34 C ATOM 1026 CE LYS A 63 -14.789 -3.461 -2.919 1.00 62.54 C ATOM 1027 NZ LYS A 63 -13.746 -3.878 -3.895 1.00 31.32 N ATOM 0 H LYS A 63 -14.664 1.729 -2.343 1.00 40.20 H new ATOM 0 HA LYS A 63 -15.325 -0.782 -0.983 1.00 30.23 H new ATOM 0 HB2 LYS A 63 -12.998 0.080 -2.766 1.00 11.54 H new ATOM 0 HB3 LYS A 63 -13.194 -1.533 -2.111 1.00 11.54 H new ATOM 0 HG2 LYS A 63 -15.148 -0.186 -4.016 1.00 73.13 H new ATOM 0 HG3 LYS A 63 -13.913 -1.333 -4.493 1.00 73.13 H new ATOM 0 HD2 LYS A 63 -16.235 -1.899 -2.598 1.00 5.34 H new ATOM 0 HD3 LYS A 63 -16.119 -2.432 -4.263 1.00 5.34 H new ATOM 0 HE2 LYS A 63 -14.325 -3.277 -1.950 1.00 62.54 H new ATOM 0 HE3 LYS A 63 -15.502 -4.274 -2.782 1.00 62.54 H new ATOM 0 HZ1 LYS A 63 -13.813 -4.903 -4.058 1.00 31.32 H new ATOM 0 HZ2 LYS A 63 -13.890 -3.374 -4.793 1.00 31.32 H new ATOM 0 HZ3 LYS A 63 -12.805 -3.649 -3.517 1.00 31.32 H new ATOM 1041 N ARG A 64 -13.245 1.414 0.143 1.00 42.23 N ATOM 1042 CA ARG A 64 -12.235 1.774 1.147 1.00 15.10 C ATOM 1043 C ARG A 64 -10.886 1.114 0.818 1.00 61.14 C ATOM 1044 O ARG A 64 -10.046 0.893 1.693 1.00 21.31 O ATOM 1045 CB ARG A 64 -12.718 1.393 2.556 1.00 30.03 C ATOM 1046 CG ARG A 64 -13.946 2.181 3.006 1.00 42.44 C ATOM 1047 CD ARG A 64 -14.452 1.723 4.367 1.00 51.41 C ATOM 1048 NE ARG A 64 -14.965 0.354 4.329 1.00 63.31 N ATOM 1049 CZ ARG A 64 -15.254 -0.349 5.389 1.00 54.13 C ATOM 1050 NH1 ARG A 64 -15.073 0.141 6.573 1.00 22.41 N ATOM 1051 NH2 ARG A 64 -15.735 -1.541 5.260 1.00 50.02 N ATOM 0 H ARG A 64 -13.645 2.213 -0.349 1.00 42.23 H new ATOM 0 HA ARG A 64 -12.089 2.854 1.125 1.00 15.10 H new ATOM 0 HB2 ARG A 64 -12.950 0.328 2.578 1.00 30.03 H new ATOM 0 HB3 ARG A 64 -11.908 1.557 3.267 1.00 30.03 H new ATOM 0 HG2 ARG A 64 -13.700 3.242 3.049 1.00 42.44 H new ATOM 0 HG3 ARG A 64 -14.740 2.068 2.268 1.00 42.44 H new ATOM 0 HD2 ARG A 64 -13.643 1.787 5.095 1.00 51.41 H new ATOM 0 HD3 ARG A 64 -15.240 2.396 4.706 1.00 51.41 H new ATOM 0 HE ARG A 64 -15.106 -0.078 3.416 1.00 63.31 H new ATOM 0 HH11 ARG A 64 -14.701 1.085 6.683 1.00 22.41 H new ATOM 0 HH12 ARG A 64 -15.302 -0.416 7.396 1.00 22.41 H new ATOM 0 HH21 ARG A 64 -15.888 -1.931 4.330 1.00 50.02 H new ATOM 0 HH22 ARG A 64 -15.961 -2.092 6.088 1.00 50.02 H new ATOM 1065 N GLU A 65 -10.693 0.830 -0.471 1.00 55.52 N ATOM 1066 CA GLU A 65 -9.471 0.200 -0.975 1.00 11.34 C ATOM 1067 C GLU A 65 -8.713 1.144 -1.916 1.00 33.42 C ATOM 1068 O GLU A 65 -9.251 1.593 -2.936 1.00 4.20 O ATOM 1069 CB GLU A 65 -9.804 -1.091 -1.737 1.00 23.41 C ATOM 1070 CG GLU A 65 -10.350 -2.223 -0.873 1.00 3.30 C ATOM 1071 CD GLU A 65 -10.751 -3.433 -1.706 1.00 2.44 C ATOM 1072 OE1 GLU A 65 -9.906 -3.943 -2.472 1.00 70.13 O ATOM 1073 OE2 GLU A 65 -11.914 -3.876 -1.608 1.00 70.25 O ATOM 0 H GLU A 65 -11.381 1.031 -1.197 1.00 55.52 H new ATOM 0 HA GLU A 65 -8.844 -0.031 -0.114 1.00 11.34 H new ATOM 0 HB2 GLU A 65 -10.535 -0.860 -2.512 1.00 23.41 H new ATOM 0 HB3 GLU A 65 -8.903 -1.440 -2.242 1.00 23.41 H new ATOM 0 HG2 GLU A 65 -9.596 -2.519 -0.144 1.00 3.30 H new ATOM 0 HG3 GLU A 65 -11.214 -1.867 -0.312 1.00 3.30 H new ATOM 1080 N ILE A 66 -7.467 1.441 -1.575 1.00 1.20 N ATOM 1081 CA ILE A 66 -6.598 2.234 -2.443 1.00 34.45 C ATOM 1082 C ILE A 66 -5.529 1.348 -3.100 1.00 22.12 C ATOM 1083 O ILE A 66 -4.884 0.535 -2.438 1.00 22.35 O ATOM 1084 CB ILE A 66 -5.915 3.376 -1.655 1.00 42.43 C ATOM 1085 CG1 ILE A 66 -6.978 4.286 -1.017 1.00 72.22 C ATOM 1086 CG2 ILE A 66 -4.995 4.184 -2.567 1.00 65.30 C ATOM 1087 CD1 ILE A 66 -6.405 5.454 -0.242 1.00 55.52 C ATOM 0 H ILE A 66 -7.031 1.145 -0.701 1.00 1.20 H new ATOM 0 HA ILE A 66 -7.223 2.672 -3.221 1.00 34.45 H new ATOM 0 HB ILE A 66 -5.308 2.938 -0.863 1.00 42.43 H new ATOM 0 HG12 ILE A 66 -7.631 4.669 -1.801 1.00 72.22 H new ATOM 0 HG13 ILE A 66 -7.598 3.689 -0.348 1.00 72.22 H new ATOM 0 HG21 ILE A 66 -4.524 4.983 -1.994 1.00 65.30 H new ATOM 0 HG22 ILE A 66 -4.226 3.531 -2.979 1.00 65.30 H new ATOM 0 HG23 ILE A 66 -5.577 4.616 -3.381 1.00 65.30 H new ATOM 0 HD11 ILE A 66 -7.218 6.047 0.176 1.00 55.52 H new ATOM 0 HD12 ILE A 66 -5.775 5.081 0.566 1.00 55.52 H new ATOM 0 HD13 ILE A 66 -5.809 6.076 -0.909 1.00 55.52 H new ATOM 1099 N ASP A 67 -5.348 1.514 -4.403 1.00 65.20 N ATOM 1100 CA ASP A 67 -4.387 0.714 -5.163 1.00 55.35 C ATOM 1101 C ASP A 67 -2.977 1.320 -5.063 1.00 12.34 C ATOM 1102 O ASP A 67 -2.762 2.469 -5.443 1.00 71.22 O ATOM 1103 CB ASP A 67 -4.841 0.648 -6.626 1.00 35.41 C ATOM 1104 CG ASP A 67 -6.176 -0.066 -6.779 1.00 34.53 C ATOM 1105 OD1 ASP A 67 -6.211 -1.304 -6.628 1.00 71.04 O ATOM 1106 OD2 ASP A 67 -7.202 0.603 -7.031 1.00 50.13 O ATOM 0 H ASP A 67 -5.856 2.199 -4.962 1.00 65.20 H new ATOM 0 HA ASP A 67 -4.347 -0.293 -4.748 1.00 55.35 H new ATOM 0 HB2 ASP A 67 -4.923 1.659 -7.026 1.00 35.41 H new ATOM 0 HB3 ASP A 67 -4.084 0.132 -7.217 1.00 35.41 H new ATOM 1111 N PHE A 68 -2.017 0.548 -4.551 1.00 32.23 N ATOM 1112 CA PHE A 68 -0.655 1.059 -4.338 1.00 33.54 C ATOM 1113 C PHE A 68 0.360 0.486 -5.333 1.00 24.31 C ATOM 1114 O PHE A 68 0.152 -0.568 -5.936 1.00 20.34 O ATOM 1115 CB PHE A 68 -0.173 0.747 -2.913 1.00 60.43 C ATOM 1116 CG PHE A 68 -0.886 1.507 -1.825 1.00 1.12 C ATOM 1117 CD1 PHE A 68 -1.265 2.829 -2.015 1.00 1.54 C ATOM 1118 CD2 PHE A 68 -1.158 0.905 -0.603 1.00 72.43 C ATOM 1119 CE1 PHE A 68 -1.901 3.531 -1.010 1.00 65.12 C ATOM 1120 CE2 PHE A 68 -1.795 1.605 0.400 1.00 45.43 C ATOM 1121 CZ PHE A 68 -2.168 2.918 0.198 1.00 35.23 C ATOM 0 H PHE A 68 -2.152 -0.425 -4.277 1.00 32.23 H new ATOM 0 HA PHE A 68 -0.713 2.136 -4.493 1.00 33.54 H new ATOM 0 HB2 PHE A 68 -0.293 -0.321 -2.730 1.00 60.43 H new ATOM 0 HB3 PHE A 68 0.893 0.964 -2.849 1.00 60.43 H new ATOM 0 HD1 PHE A 68 -1.060 3.313 -2.958 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -0.868 -0.122 -0.437 1.00 72.43 H new ATOM 0 HE1 PHE A 68 -2.190 4.560 -1.169 1.00 65.12 H new ATOM 0 HE2 PHE A 68 -2.002 1.125 1.345 1.00 45.43 H new ATOM 0 HZ PHE A 68 -2.668 3.465 0.983 1.00 35.23 H new ATOM 1131 N LYS A 69 1.464 1.210 -5.479 1.00 31.52 N ATOM 1132 CA LYS A 69 2.599 0.793 -6.306 1.00 73.11 C ATOM 1133 C LYS A 69 3.912 1.182 -5.613 1.00 51.11 C ATOM 1134 O LYS A 69 3.983 2.220 -4.956 1.00 72.15 O ATOM 1135 CB LYS A 69 2.513 1.468 -7.682 1.00 71.45 C ATOM 1136 CG LYS A 69 3.681 1.152 -8.618 1.00 33.32 C ATOM 1137 CD LYS A 69 3.589 1.952 -9.915 1.00 14.13 C ATOM 1138 CE LYS A 69 3.592 3.455 -9.651 1.00 4.32 C ATOM 1139 NZ LYS A 69 3.408 4.249 -10.894 1.00 54.15 N ATOM 0 H LYS A 69 1.601 2.112 -5.024 1.00 31.52 H new ATOM 0 HA LYS A 69 2.572 -0.289 -6.438 1.00 73.11 H new ATOM 0 HB2 LYS A 69 1.584 1.163 -8.165 1.00 71.45 H new ATOM 0 HB3 LYS A 69 2.459 2.547 -7.540 1.00 71.45 H new ATOM 0 HG2 LYS A 69 4.622 1.377 -8.116 1.00 33.32 H new ATOM 0 HG3 LYS A 69 3.688 0.086 -8.846 1.00 33.32 H new ATOM 0 HD2 LYS A 69 4.427 1.694 -10.562 1.00 14.13 H new ATOM 0 HD3 LYS A 69 2.679 1.678 -10.448 1.00 14.13 H new ATOM 0 HE2 LYS A 69 2.797 3.699 -8.946 1.00 4.32 H new ATOM 0 HE3 LYS A 69 4.534 3.736 -9.179 1.00 4.32 H new ATOM 0 HZ1 LYS A 69 3.281 5.252 -10.650 1.00 54.15 H new ATOM 0 HZ2 LYS A 69 4.246 4.143 -11.501 1.00 54.15 H new ATOM 0 HZ3 LYS A 69 2.567 3.908 -11.403 1.00 54.15 H new ATOM 1153 N TYR A 70 4.950 0.369 -5.767 1.00 61.45 N ATOM 1154 CA TYR A 70 6.236 0.650 -5.123 1.00 22.32 C ATOM 1155 C TYR A 70 7.111 1.544 -6.015 1.00 33.10 C ATOM 1156 O TYR A 70 7.300 1.264 -7.198 1.00 14.42 O ATOM 1157 CB TYR A 70 6.976 -0.656 -4.805 1.00 50.03 C ATOM 1158 CG TYR A 70 8.296 -0.452 -4.078 1.00 73.11 C ATOM 1159 CD1 TYR A 70 8.345 -0.384 -2.691 1.00 40.24 C ATOM 1160 CD2 TYR A 70 9.490 -0.321 -4.779 1.00 13.41 C ATOM 1161 CE1 TYR A 70 9.542 -0.197 -2.027 1.00 45.04 C ATOM 1162 CE2 TYR A 70 10.690 -0.135 -4.123 1.00 44.34 C ATOM 1163 CZ TYR A 70 10.711 -0.072 -2.747 1.00 74.00 C ATOM 1164 OH TYR A 70 11.907 0.110 -2.089 1.00 45.25 O ATOM 0 H TYR A 70 4.932 -0.484 -6.326 1.00 61.45 H new ATOM 0 HA TYR A 70 6.036 1.179 -4.191 1.00 22.32 H new ATOM 0 HB2 TYR A 70 6.331 -1.289 -4.196 1.00 50.03 H new ATOM 0 HB3 TYR A 70 7.163 -1.192 -5.735 1.00 50.03 H new ATOM 0 HD1 TYR A 70 7.432 -0.479 -2.122 1.00 40.24 H new ATOM 0 HD2 TYR A 70 9.478 -0.366 -5.858 1.00 13.41 H new ATOM 0 HE1 TYR A 70 9.562 -0.149 -0.948 1.00 45.04 H new ATOM 0 HE2 TYR A 70 11.607 -0.039 -4.685 1.00 44.34 H new ATOM 0 HH TYR A 70 12.633 0.178 -2.743 1.00 45.25 H new ATOM 1174 N ILE A 71 7.647 2.614 -5.434 1.00 73.01 N ATOM 1175 CA ILE A 71 8.474 3.574 -6.175 1.00 23.02 C ATOM 1176 C ILE A 71 9.794 3.876 -5.437 1.00 34.44 C ATOM 1177 O ILE A 71 9.837 3.896 -4.206 1.00 63.12 O ATOM 1178 CB ILE A 71 7.702 4.898 -6.417 1.00 12.15 C ATOM 1179 CG1 ILE A 71 7.145 5.443 -5.088 1.00 13.32 C ATOM 1180 CG2 ILE A 71 6.582 4.691 -7.439 1.00 52.24 C ATOM 1181 CD1 ILE A 71 6.379 6.738 -5.230 1.00 10.51 C ATOM 0 H ILE A 71 7.525 2.842 -4.447 1.00 73.01 H new ATOM 0 HA ILE A 71 8.712 3.116 -7.135 1.00 23.02 H new ATOM 0 HB ILE A 71 8.394 5.635 -6.824 1.00 12.15 H new ATOM 0 HG12 ILE A 71 6.491 4.692 -4.644 1.00 13.32 H new ATOM 0 HG13 ILE A 71 7.972 5.596 -4.394 1.00 13.32 H new ATOM 0 HG21 ILE A 71 6.053 5.631 -7.594 1.00 52.24 H new ATOM 0 HG22 ILE A 71 7.009 4.354 -8.384 1.00 52.24 H new ATOM 0 HG23 ILE A 71 5.885 3.940 -7.068 1.00 52.24 H new ATOM 0 HD11 ILE A 71 6.019 7.057 -4.252 1.00 10.51 H new ATOM 0 HD12 ILE A 71 7.034 7.505 -5.643 1.00 10.51 H new ATOM 0 HD13 ILE A 71 5.530 6.588 -5.897 1.00 10.51 H new ATOM 1193 N PRO A 72 10.898 4.093 -6.184 1.00 51.53 N ATOM 1194 CA PRO A 72 12.211 4.423 -5.602 1.00 33.33 C ATOM 1195 C PRO A 72 12.317 5.892 -5.139 1.00 14.22 C ATOM 1196 O PRO A 72 11.476 6.733 -5.474 1.00 41.32 O ATOM 1197 CB PRO A 72 13.201 4.147 -6.758 1.00 4.30 C ATOM 1198 CG PRO A 72 12.386 3.536 -7.859 1.00 21.32 C ATOM 1199 CD PRO A 72 10.976 4.011 -7.647 1.00 4.44 C ATOM 0 HA PRO A 72 12.405 3.837 -4.704 1.00 33.33 H new ATOM 0 HB2 PRO A 72 13.679 5.068 -7.091 1.00 4.30 H new ATOM 0 HB3 PRO A 72 13.996 3.472 -6.439 1.00 4.30 H new ATOM 0 HG2 PRO A 72 12.758 3.844 -8.836 1.00 21.32 H new ATOM 0 HG3 PRO A 72 12.440 2.448 -7.826 1.00 21.32 H new ATOM 0 HD2 PRO A 72 10.795 4.976 -8.120 1.00 4.44 H new ATOM 0 HD3 PRO A 72 10.245 3.314 -8.056 1.00 4.44 H new ATOM 1207 N LEU A 73 13.368 6.193 -4.376 1.00 73.02 N ATOM 1208 CA LEU A 73 13.609 7.553 -3.874 1.00 54.45 C ATOM 1209 C LEU A 73 15.114 7.818 -3.707 1.00 24.51 C ATOM 1210 O LEU A 73 15.808 7.080 -3.003 1.00 63.11 O ATOM 1211 CB LEU A 73 12.889 7.761 -2.530 1.00 62.13 C ATOM 1212 CG LEU A 73 13.082 9.147 -1.887 1.00 24.12 C ATOM 1213 CD1 LEU A 73 12.516 10.251 -2.779 1.00 11.31 C ATOM 1214 CD2 LEU A 73 12.449 9.195 -0.499 1.00 41.44 C ATOM 0 H LEU A 73 14.071 5.512 -4.089 1.00 73.02 H new ATOM 0 HA LEU A 73 13.213 8.258 -4.605 1.00 54.45 H new ATOM 0 HB2 LEU A 73 11.822 7.593 -2.678 1.00 62.13 H new ATOM 0 HB3 LEU A 73 13.237 7.002 -1.829 1.00 62.13 H new ATOM 0 HG LEU A 73 14.153 9.319 -1.779 1.00 24.12 H new ATOM 0 HD11 LEU A 73 12.666 11.219 -2.300 1.00 11.31 H new ATOM 0 HD12 LEU A 73 13.028 10.239 -3.741 1.00 11.31 H new ATOM 0 HD13 LEU A 73 11.450 10.084 -2.933 1.00 11.31 H new ATOM 0 HD21 LEU A 73 12.598 10.184 -0.065 1.00 41.44 H new ATOM 0 HD22 LEU A 73 11.381 8.991 -0.579 1.00 41.44 H new ATOM 0 HD23 LEU A 73 12.915 8.444 0.140 1.00 41.44 H new ATOM 1226 N GLU A 74 15.614 8.879 -4.344 1.00 53.45 N ATOM 1227 CA GLU A 74 17.047 9.209 -4.290 1.00 20.35 C ATOM 1228 C GLU A 74 17.298 10.726 -4.120 1.00 31.01 C ATOM 1229 O GLU A 74 17.964 11.109 -3.133 1.00 37.71 O ATOM 1230 CB GLU A 74 17.765 8.676 -5.540 1.00 54.34 C ATOM 1231 CG GLU A 74 17.218 9.206 -6.860 1.00 60.10 C ATOM 1232 CD GLU A 74 17.901 8.581 -8.064 1.00 20.42 C ATOM 1233 OE1 GLU A 74 19.095 8.863 -8.294 1.00 31.41 O ATOM 1234 OE2 GLU A 74 17.250 7.797 -8.780 1.00 3.15 O ATOM 0 H GLU A 74 15.054 9.524 -4.902 1.00 53.45 H new ATOM 0 HA GLU A 74 17.458 8.720 -3.407 1.00 20.35 H new ATOM 0 HB2 GLU A 74 18.823 8.931 -5.472 1.00 54.34 H new ATOM 0 HB3 GLU A 74 17.699 7.588 -5.545 1.00 54.34 H new ATOM 0 HG2 GLU A 74 16.147 9.010 -6.911 1.00 60.10 H new ATOM 0 HG3 GLU A 74 17.346 10.288 -6.895 1.00 60.10 H new TER 1241 GLU A 74