USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= 0.965 K(o=2.8,f=0.64) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.86 K(o=2.8,f=0.51) USER MOD Set 2.1: A 13 TYR OH : rot 162:sc= -0.0863 USER MOD Set 2.2: A 34 THR OG1 : rot 64:sc= 1.63 USER MOD Single : A 1 LYS N :NH3+ -159:sc= 1.26 (180deg=0.256) USER MOD Single : A 1 LYS NZ :NH3+ -173:sc= -0.004 (180deg=-0.0821) USER MOD Single : A 2 SER OG : rot -66:sc= 1.19 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0.9 (180deg=0.857) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0.289 (180deg=-0.0254) USER MOD Single : A 24 SER OG : rot -107:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0314) USER MOD Single : A 33 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.078) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0.732 (180deg=0.628) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc=-0.00501 (180deg=-0.0517) USER MOD Single : A 56 ASN : amide:sc= -0.749 X(o=-0.75,f=-0.56) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0.753 (180deg=0.564) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.530 -5.081 -1.632 1.00 0.00 N ATOM 2 CA LYS A 1 -12.348 -4.852 -2.441 1.00 0.00 C ATOM 3 C LYS A 1 -12.713 -4.011 -3.671 1.00 0.00 C ATOM 4 O LYS A 1 -13.291 -4.511 -4.632 1.00 0.00 O ATOM 5 CB LYS A 1 -11.733 -6.202 -2.836 1.00 0.00 C ATOM 6 CG LYS A 1 -11.280 -6.984 -1.593 1.00 0.00 C ATOM 7 CD LYS A 1 -10.604 -8.319 -1.945 1.00 0.00 C ATOM 8 CE LYS A 1 -11.512 -9.287 -2.717 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.790 -9.523 -2.021 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.245 -5.323 -0.662 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.113 -4.220 -1.617 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.081 -5.865 -2.037 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.605 -4.295 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.463 -6.789 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.882 -6.039 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.587 -6.372 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.143 -7.176 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.713 -8.119 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.272 -8.801 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.710 -8.884 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.994 -10.236 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.321 -10.270 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.603 -9.820 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.350 -8.646 -2.016 1.00 0.00 H new ATOM 25 N SER A 2 -12.370 -2.723 -3.647 1.00 0.00 N ATOM 26 CA SER A 2 -12.615 -1.768 -4.718 1.00 0.00 C ATOM 27 C SER A 2 -11.744 -0.544 -4.414 1.00 0.00 C ATOM 28 O SER A 2 -11.351 -0.382 -3.256 1.00 0.00 O ATOM 29 CB SER A 2 -14.112 -1.422 -4.770 1.00 0.00 C ATOM 30 OG SER A 2 -14.533 -0.891 -3.534 1.00 0.00 O ATOM 0 H SER A 2 -11.895 -2.304 -2.847 1.00 0.00 H new ATOM 0 HA SER A 2 -12.357 -2.168 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.298 -0.701 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.691 -2.315 -5.006 1.00 0.00 H new ATOM 0 HG SER A 2 -14.478 -1.585 -2.844 1.00 0.00 H new ATOM 36 N PRO A 3 -11.425 0.312 -5.403 1.00 0.00 N ATOM 37 CA PRO A 3 -10.592 1.490 -5.199 1.00 0.00 C ATOM 38 C PRO A 3 -11.015 2.316 -3.982 1.00 0.00 C ATOM 39 O PRO A 3 -10.169 2.681 -3.177 1.00 0.00 O ATOM 40 CB PRO A 3 -10.635 2.288 -6.510 1.00 0.00 C ATOM 41 CG PRO A 3 -11.792 1.669 -7.297 1.00 0.00 C ATOM 42 CD PRO A 3 -11.811 0.226 -6.800 1.00 0.00 C ATOM 0 HA PRO A 3 -9.568 1.197 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.804 3.349 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.695 2.206 -7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.735 2.178 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.623 1.723 -8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.800 -0.218 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.117 -0.397 -7.365 1.00 0.00 H new ATOM 50 N GLU A 4 -12.311 2.606 -3.832 1.00 0.00 N ATOM 51 CA GLU A 4 -12.824 3.380 -2.705 1.00 0.00 C ATOM 52 C GLU A 4 -12.409 2.747 -1.370 1.00 0.00 C ATOM 53 O GLU A 4 -11.862 3.407 -0.488 1.00 0.00 O ATOM 54 CB GLU A 4 -14.350 3.496 -2.831 1.00 0.00 C ATOM 55 CG GLU A 4 -14.944 4.420 -1.760 1.00 0.00 C ATOM 56 CD GLU A 4 -16.453 4.553 -1.931 1.00 0.00 C ATOM 57 OE1 GLU A 4 -17.164 3.686 -1.380 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.864 5.511 -2.622 1.00 0.00 O ATOM 0 H GLU A 4 -13.031 2.309 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.394 4.382 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.605 3.876 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.798 2.506 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.720 4.025 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.479 5.404 -1.824 1.00 0.00 H new ATOM 65 N GLU A 5 -12.661 1.447 -1.214 1.00 0.00 N ATOM 66 CA GLU A 5 -12.317 0.736 0.009 1.00 0.00 C ATOM 67 C GLU A 5 -10.809 0.775 0.198 1.00 0.00 C ATOM 68 O GLU A 5 -10.317 1.027 1.292 1.00 0.00 O ATOM 69 CB GLU A 5 -12.801 -0.715 -0.056 1.00 0.00 C ATOM 70 CG GLU A 5 -14.315 -0.740 -0.240 1.00 0.00 C ATOM 71 CD GLU A 5 -14.847 -2.164 -0.345 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.171 -2.735 0.718 1.00 0.00 O ATOM 73 OE2 GLU A 5 -14.900 -2.661 -1.492 1.00 0.00 O ATOM 0 H GLU A 5 -13.104 0.866 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.807 1.220 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.315 -1.235 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.527 -1.242 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.792 -0.234 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.581 -0.185 -1.139 1.00 0.00 H new ATOM 80 N LEU A 6 -10.080 0.535 -0.887 1.00 0.00 N ATOM 81 CA LEU A 6 -8.623 0.523 -0.863 1.00 0.00 C ATOM 82 C LEU A 6 -8.107 1.906 -0.445 1.00 0.00 C ATOM 83 O LEU A 6 -7.090 2.009 0.235 1.00 0.00 O ATOM 84 CB LEU A 6 -8.056 0.026 -2.200 1.00 0.00 C ATOM 85 CG LEU A 6 -8.326 -1.476 -2.437 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.095 -1.809 -3.915 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.427 -2.381 -1.587 1.00 0.00 C ATOM 0 H LEU A 6 -10.482 0.344 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.266 -0.187 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.495 0.603 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.981 0.207 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.360 -1.663 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.285 -2.869 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.771 -1.217 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.064 -1.579 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.661 -3.425 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.382 -2.188 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.598 -2.174 -0.530 1.00 0.00 H new ATOM 99 N LYS A 7 -8.810 2.971 -0.826 1.00 0.00 N ATOM 100 CA LYS A 7 -8.502 4.337 -0.438 1.00 0.00 C ATOM 101 C LYS A 7 -8.706 4.482 1.069 1.00 0.00 C ATOM 102 O LYS A 7 -7.838 5.003 1.768 1.00 0.00 O ATOM 103 CB LYS A 7 -9.387 5.296 -1.245 1.00 0.00 C ATOM 104 CG LYS A 7 -8.833 6.726 -1.243 1.00 0.00 C ATOM 105 CD LYS A 7 -9.645 7.605 -2.198 1.00 0.00 C ATOM 106 CE LYS A 7 -9.046 9.014 -2.254 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.799 9.881 -3.176 1.00 0.00 N ATOM 0 H LYS A 7 -9.630 2.901 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.463 4.585 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.466 4.939 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.395 5.297 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.872 7.138 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.785 6.719 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.651 7.164 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.682 7.655 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.049 9.452 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.006 8.956 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.369 10.828 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.775 9.474 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.786 9.954 -2.856 1.00 0.00 H new ATOM 121 N GLY A 8 -9.846 4.004 1.571 1.00 0.00 N ATOM 122 CA GLY A 8 -10.148 4.034 2.994 1.00 0.00 C ATOM 123 C GLY A 8 -9.036 3.323 3.767 1.00 0.00 C ATOM 124 O GLY A 8 -8.472 3.872 4.707 1.00 0.00 O ATOM 0 H GLY A 8 -10.581 3.587 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.241 5.065 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.105 3.548 3.184 1.00 0.00 H new ATOM 128 N ILE A 9 -8.715 2.100 3.348 1.00 0.00 N ATOM 129 CA ILE A 9 -7.674 1.255 3.920 1.00 0.00 C ATOM 130 C ILE A 9 -6.336 2.000 3.902 1.00 0.00 C ATOM 131 O ILE A 9 -5.669 2.118 4.928 1.00 0.00 O ATOM 132 CB ILE A 9 -7.617 -0.054 3.111 1.00 0.00 C ATOM 133 CG1 ILE A 9 -8.911 -0.878 3.270 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.371 -0.890 3.435 1.00 0.00 C ATOM 135 CD1 ILE A 9 -8.929 -1.758 4.516 1.00 0.00 C ATOM 0 H ILE A 9 -9.196 1.654 2.567 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.894 1.013 4.960 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.537 0.232 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.762 -0.198 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.041 -1.507 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.379 -1.802 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.476 -0.313 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.372 -1.149 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.870 -2.307 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.099 -2.463 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.831 -1.133 5.404 1.00 0.00 H new ATOM 147 N PHE A 10 -5.947 2.506 2.729 1.00 0.00 N ATOM 148 CA PHE A 10 -4.719 3.261 2.540 1.00 0.00 C ATOM 149 C PHE A 10 -4.648 4.372 3.583 1.00 0.00 C ATOM 150 O PHE A 10 -3.666 4.470 4.307 1.00 0.00 O ATOM 151 CB PHE A 10 -4.677 3.854 1.122 1.00 0.00 C ATOM 152 CG PHE A 10 -3.565 4.860 0.893 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.708 6.159 1.415 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.304 4.443 0.433 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.574 6.838 1.880 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.181 5.249 0.681 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.305 6.383 1.503 1.00 0.00 C ATOM 0 H PHE A 10 -6.491 2.397 1.873 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.861 2.599 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.567 3.041 0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.633 4.335 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.680 6.627 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.200 3.513 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.678 7.701 2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.226 4.999 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.422 6.903 1.843 1.00 0.00 H new ATOM 167 N GLU A 11 -5.685 5.213 3.652 1.00 0.00 N ATOM 168 CA GLU A 11 -5.736 6.335 4.574 1.00 0.00 C ATOM 169 C GLU A 11 -5.608 5.840 6.016 1.00 0.00 C ATOM 170 O GLU A 11 -4.781 6.335 6.782 1.00 0.00 O ATOM 171 CB GLU A 11 -7.036 7.116 4.337 1.00 0.00 C ATOM 172 CG GLU A 11 -7.070 8.427 5.131 1.00 0.00 C ATOM 173 CD GLU A 11 -8.343 9.209 4.833 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.364 9.878 3.776 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.277 9.113 5.658 1.00 0.00 O ATOM 0 H GLU A 11 -6.514 5.128 3.063 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.899 7.010 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.140 7.333 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.888 6.498 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.011 8.212 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.199 9.032 4.879 1.00 0.00 H new ATOM 182 N LYS A 12 -6.435 4.854 6.371 1.00 0.00 N ATOM 183 CA LYS A 12 -6.472 4.250 7.689 1.00 0.00 C ATOM 184 C LYS A 12 -5.058 3.879 8.119 1.00 0.00 C ATOM 185 O LYS A 12 -4.618 4.302 9.182 1.00 0.00 O ATOM 186 CB LYS A 12 -7.417 3.039 7.684 1.00 0.00 C ATOM 187 CG LYS A 12 -7.635 2.460 9.089 1.00 0.00 C ATOM 188 CD LYS A 12 -8.635 1.293 9.075 1.00 0.00 C ATOM 189 CE LYS A 12 -8.030 0.028 8.456 1.00 0.00 C ATOM 190 NZ LYS A 12 -8.985 -1.093 8.467 1.00 0.00 N ATOM 0 H LYS A 12 -7.113 4.448 5.726 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.863 4.961 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.378 3.333 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.008 2.265 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.682 2.118 9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.000 3.244 9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.958 1.080 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.523 1.583 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.724 0.235 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.132 -0.253 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.601 -1.882 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.141 -1.406 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.888 -0.784 8.054 1.00 0.00 H new ATOM 204 N TYR A 13 -4.336 3.100 7.309 1.00 0.00 N ATOM 205 CA TYR A 13 -2.983 2.718 7.660 1.00 0.00 C ATOM 206 C TYR A 13 -2.020 3.899 7.601 1.00 0.00 C ATOM 207 O TYR A 13 -1.254 4.087 8.542 1.00 0.00 O ATOM 208 CB TYR A 13 -2.537 1.531 6.814 1.00 0.00 C ATOM 209 CG TYR A 13 -3.007 0.231 7.424 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.333 -0.186 7.231 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.135 -0.547 8.208 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.789 -1.361 7.842 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.629 -1.653 8.914 1.00 0.00 C ATOM 214 CZ TYR A 13 -3.956 -2.066 8.725 1.00 0.00 C ATOM 215 OH TYR A 13 -4.425 -3.174 9.357 1.00 0.00 O ATOM 0 H TYR A 13 -4.668 2.730 6.418 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.971 2.395 8.701 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.935 1.629 5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.450 1.527 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.000 0.397 6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.087 -0.293 8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.784 -1.726 7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.989 -2.186 9.602 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.671 -3.702 9.695 1.00 0.00 H new ATOM 225 N ALA A 14 -2.038 4.705 6.535 1.00 0.00 N ATOM 226 CA ALA A 14 -1.137 5.853 6.426 1.00 0.00 C ATOM 227 C ALA A 14 -1.170 6.724 7.688 1.00 0.00 C ATOM 228 O ALA A 14 -0.149 7.258 8.111 1.00 0.00 O ATOM 229 CB ALA A 14 -1.485 6.663 5.179 1.00 0.00 C ATOM 0 H ALA A 14 -2.664 4.583 5.739 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.116 5.483 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.812 7.517 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.378 6.034 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.514 7.017 5.250 1.00 0.00 H new ATOM 235 N ALA A 15 -2.346 6.860 8.303 1.00 0.00 N ATOM 236 CA ALA A 15 -2.528 7.638 9.519 1.00 0.00 C ATOM 237 C ALA A 15 -1.753 7.115 10.740 1.00 0.00 C ATOM 238 O ALA A 15 -1.579 7.879 11.685 1.00 0.00 O ATOM 239 CB ALA A 15 -4.024 7.740 9.832 1.00 0.00 C ATOM 0 H ALA A 15 -3.205 6.427 7.963 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.105 8.623 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.166 8.322 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.536 8.230 9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.435 6.740 9.972 1.00 0.00 H new ATOM 245 N LYS A 16 -1.300 5.854 10.768 1.00 0.00 N ATOM 246 CA LYS A 16 -0.591 5.313 11.921 1.00 0.00 C ATOM 247 C LYS A 16 0.861 5.805 11.988 1.00 0.00 C ATOM 248 O LYS A 16 1.182 6.642 12.827 1.00 0.00 O ATOM 249 CB LYS A 16 -0.688 3.774 11.937 1.00 0.00 C ATOM 250 CG LYS A 16 -1.462 3.216 13.140 1.00 0.00 C ATOM 251 CD LYS A 16 -2.954 3.573 13.144 1.00 0.00 C ATOM 252 CE LYS A 16 -3.668 3.019 11.907 1.00 0.00 C ATOM 253 NZ LYS A 16 -5.111 3.310 11.950 1.00 0.00 N ATOM 0 H LYS A 16 -1.416 5.193 10.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.076 5.687 12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.171 3.440 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.318 3.355 11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.359 2.131 13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.007 3.591 14.057 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.422 3.175 14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.070 4.656 13.177 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.233 3.455 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.513 1.942 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.640 2.425 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.311 3.961 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.403 3.750 11.054 1.00 0.00 H new ATOM 267 N GLU A 17 1.744 5.279 11.131 1.00 0.00 N ATOM 268 CA GLU A 17 3.166 5.607 11.124 1.00 0.00 C ATOM 269 C GLU A 17 3.589 6.159 9.765 1.00 0.00 C ATOM 270 O GLU A 17 3.352 5.552 8.720 1.00 0.00 O ATOM 271 CB GLU A 17 4.037 4.391 11.465 1.00 0.00 C ATOM 272 CG GLU A 17 3.494 3.494 12.590 1.00 0.00 C ATOM 273 CD GLU A 17 3.199 4.256 13.878 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.083 5.038 14.291 1.00 0.00 O ATOM 275 OE2 GLU A 17 2.102 4.027 14.433 1.00 0.00 O ATOM 0 H GLU A 17 1.482 4.603 10.413 1.00 0.00 H new ATOM 0 HA GLU A 17 3.316 6.366 11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.158 3.787 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.029 4.742 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.582 3.005 12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.218 2.707 12.799 1.00 0.00 H new ATOM 282 N GLY A 18 4.243 7.313 9.813 1.00 0.00 N ATOM 283 CA GLY A 18 4.721 8.072 8.670 1.00 0.00 C ATOM 284 C GLY A 18 3.857 9.321 8.527 1.00 0.00 C ATOM 285 O GLY A 18 3.119 9.681 9.443 1.00 0.00 O ATOM 0 H GLY A 18 4.465 7.767 10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.766 8.348 8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.668 7.468 7.764 1.00 0.00 H new ATOM 289 N ASP A 19 3.932 9.992 7.380 1.00 0.00 N ATOM 290 CA ASP A 19 3.099 11.165 7.145 1.00 0.00 C ATOM 291 C ASP A 19 1.675 10.643 6.901 1.00 0.00 C ATOM 292 O ASP A 19 1.538 9.653 6.192 1.00 0.00 O ATOM 293 CB ASP A 19 3.635 11.944 5.941 1.00 0.00 C ATOM 294 CG ASP A 19 2.742 13.122 5.570 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.643 12.857 5.037 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.166 14.265 5.839 1.00 0.00 O ATOM 0 H ASP A 19 4.553 9.747 6.609 1.00 0.00 H new ATOM 0 HA ASP A 19 3.105 11.851 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.638 12.307 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.721 11.273 5.086 1.00 0.00 H new ATOM 301 N PRO A 20 0.615 11.261 7.447 1.00 0.00 N ATOM 302 CA PRO A 20 -0.752 10.773 7.300 1.00 0.00 C ATOM 303 C PRO A 20 -1.210 10.513 5.858 1.00 0.00 C ATOM 304 O PRO A 20 -2.099 9.695 5.646 1.00 0.00 O ATOM 305 CB PRO A 20 -1.646 11.780 8.035 1.00 0.00 C ATOM 306 CG PRO A 20 -0.773 13.029 8.168 1.00 0.00 C ATOM 307 CD PRO A 20 0.636 12.453 8.278 1.00 0.00 C ATOM 0 HA PRO A 20 -0.820 9.776 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.557 11.988 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.953 11.403 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.874 13.686 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.039 13.616 9.047 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.383 13.166 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.885 12.211 9.311 1.00 0.00 H new ATOM 315 N ASN A 21 -0.629 11.184 4.859 1.00 0.00 N ATOM 316 CA ASN A 21 -0.979 10.995 3.457 1.00 0.00 C ATOM 317 C ASN A 21 -0.144 9.879 2.811 1.00 0.00 C ATOM 318 O ASN A 21 -0.453 9.451 1.700 1.00 0.00 O ATOM 319 CB ASN A 21 -0.776 12.336 2.746 1.00 0.00 C ATOM 320 CG ASN A 21 -0.980 12.239 1.241 1.00 0.00 C ATOM 321 OD1 ASN A 21 -2.098 12.235 0.744 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.101 12.165 0.482 1.00 0.00 N ATOM 0 H ASN A 21 0.103 11.879 5.007 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.018 10.679 3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.471 13.069 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.230 12.702 2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.009 12.104 -0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.026 12.169 0.911 1.00 0.00 H new ATOM 329 N GLN A 22 0.908 9.399 3.483 1.00 0.00 N ATOM 330 CA GLN A 22 1.816 8.388 2.968 1.00 0.00 C ATOM 331 C GLN A 22 1.825 7.071 3.752 1.00 0.00 C ATOM 332 O GLN A 22 1.835 7.045 4.977 1.00 0.00 O ATOM 333 CB GLN A 22 3.253 8.932 2.961 1.00 0.00 C ATOM 334 CG GLN A 22 3.671 9.732 1.722 1.00 0.00 C ATOM 335 CD GLN A 22 3.595 11.222 1.994 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.680 11.912 1.565 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.564 11.742 2.726 1.00 0.00 N ATOM 0 H GLN A 22 1.151 9.715 4.422 1.00 0.00 H new ATOM 0 HA GLN A 22 1.448 8.166 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.383 9.567 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.938 8.091 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.687 9.461 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.023 9.477 0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.317 11.147 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.560 12.738 2.944 1.00 0.00 H new ATOM 346 N LEU A 23 1.884 5.960 3.018 1.00 0.00 N ATOM 347 CA LEU A 23 2.045 4.631 3.584 1.00 0.00 C ATOM 348 C LEU A 23 3.547 4.437 3.767 1.00 0.00 C ATOM 349 O LEU A 23 4.257 4.281 2.777 1.00 0.00 O ATOM 350 CB LEU A 23 1.547 3.559 2.606 1.00 0.00 C ATOM 351 CG LEU A 23 0.088 3.127 2.772 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.263 2.155 1.635 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.188 2.404 4.087 1.00 0.00 C ATOM 0 H LEU A 23 1.820 5.963 2.000 1.00 0.00 H new ATOM 0 HA LEU A 23 1.482 4.540 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.682 3.931 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.180 2.678 2.710 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.512 4.037 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.300 1.836 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.129 2.654 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.391 1.285 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.241 2.128 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.426 1.505 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.054 3.062 4.922 1.00 0.00 H new ATOM 365 N SER A 24 4.067 4.445 4.991 1.00 0.00 N ATOM 366 CA SER A 24 5.496 4.228 5.171 1.00 0.00 C ATOM 367 C SER A 24 5.840 2.767 4.872 1.00 0.00 C ATOM 368 O SER A 24 4.974 1.895 4.927 1.00 0.00 O ATOM 369 CB SER A 24 5.943 4.648 6.576 1.00 0.00 C ATOM 370 OG SER A 24 5.300 3.880 7.572 1.00 0.00 O ATOM 0 H SER A 24 3.537 4.595 5.850 1.00 0.00 H new ATOM 0 HA SER A 24 6.044 4.854 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.023 4.532 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.722 5.704 6.729 1.00 0.00 H new ATOM 0 HG SER A 24 4.630 4.431 8.028 1.00 0.00 H new ATOM 376 N LYS A 25 7.110 2.483 4.570 1.00 0.00 N ATOM 377 CA LYS A 25 7.587 1.120 4.361 1.00 0.00 C ATOM 378 C LYS A 25 7.200 0.289 5.580 1.00 0.00 C ATOM 379 O LYS A 25 6.686 -0.823 5.471 1.00 0.00 O ATOM 380 CB LYS A 25 9.098 1.182 4.076 1.00 0.00 C ATOM 381 CG LYS A 25 9.889 -0.134 4.163 1.00 0.00 C ATOM 382 CD LYS A 25 10.285 -0.611 5.571 1.00 0.00 C ATOM 383 CE LYS A 25 11.020 0.469 6.372 1.00 0.00 C ATOM 384 NZ LYS A 25 11.505 -0.060 7.659 1.00 0.00 N ATOM 0 H LYS A 25 7.834 3.194 4.464 1.00 0.00 H new ATOM 0 HA LYS A 25 7.131 0.632 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.236 1.592 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.544 1.890 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.297 -0.919 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.799 -0.024 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.390 -0.915 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.921 -1.492 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.861 0.847 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.352 1.311 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.999 0.693 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.698 -0.399 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.161 -0.848 7.485 1.00 0.00 H new ATOM 398 N GLU A 26 7.434 0.876 6.752 1.00 0.00 N ATOM 399 CA GLU A 26 7.077 0.291 8.030 1.00 0.00 C ATOM 400 C GLU A 26 5.566 0.017 8.054 1.00 0.00 C ATOM 401 O GLU A 26 5.146 -1.090 8.372 1.00 0.00 O ATOM 402 CB GLU A 26 7.545 1.222 9.159 1.00 0.00 C ATOM 403 CG GLU A 26 7.556 0.533 10.534 1.00 0.00 C ATOM 404 CD GLU A 26 6.176 0.354 11.166 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.291 1.186 10.872 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.044 -0.608 11.953 1.00 0.00 O ATOM 0 H GLU A 26 7.885 1.787 6.835 1.00 0.00 H new ATOM 0 HA GLU A 26 7.576 -0.666 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.547 1.586 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.891 2.093 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.024 -0.446 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.179 1.115 11.213 1.00 0.00 H new ATOM 413 N GLU A 27 4.740 1.008 7.714 1.00 0.00 N ATOM 414 CA GLU A 27 3.293 0.839 7.700 1.00 0.00 C ATOM 415 C GLU A 27 2.850 -0.294 6.772 1.00 0.00 C ATOM 416 O GLU A 27 1.960 -1.074 7.115 1.00 0.00 O ATOM 417 CB GLU A 27 2.627 2.151 7.276 1.00 0.00 C ATOM 418 CG GLU A 27 1.133 2.161 7.600 1.00 0.00 C ATOM 419 CD GLU A 27 0.867 2.167 9.102 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.595 2.900 9.802 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.053 1.440 9.531 1.00 0.00 O ATOM 0 H GLU A 27 5.055 1.940 7.444 1.00 0.00 H new ATOM 0 HA GLU A 27 2.982 0.571 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.114 2.985 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.768 2.300 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.671 3.039 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.661 1.286 7.153 1.00 0.00 H new ATOM 428 N LEU A 28 3.448 -0.389 5.582 1.00 0.00 N ATOM 429 CA LEU A 28 3.072 -1.423 4.634 1.00 0.00 C ATOM 430 C LEU A 28 3.139 -2.815 5.273 1.00 0.00 C ATOM 431 O LEU A 28 2.266 -3.646 5.035 1.00 0.00 O ATOM 432 CB LEU A 28 3.950 -1.325 3.382 1.00 0.00 C ATOM 433 CG LEU A 28 3.367 -2.141 2.216 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.103 -1.502 1.626 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.408 -2.310 1.110 1.00 0.00 C ATOM 0 H LEU A 28 4.188 0.235 5.260 1.00 0.00 H new ATOM 0 HA LEU A 28 2.035 -1.267 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.045 -0.281 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.953 -1.683 3.612 1.00 0.00 H new ATOM 0 HG LEU A 28 3.092 -3.114 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.732 -2.118 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.338 -1.428 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.339 -0.506 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.979 -2.890 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.709 -1.330 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.279 -2.831 1.507 1.00 0.00 H new ATOM 447 N LYS A 29 4.165 -3.064 6.092 1.00 0.00 N ATOM 448 CA LYS A 29 4.369 -4.342 6.765 1.00 0.00 C ATOM 449 C LYS A 29 3.085 -4.814 7.459 1.00 0.00 C ATOM 450 O LYS A 29 2.525 -5.866 7.140 1.00 0.00 O ATOM 451 CB LYS A 29 5.529 -4.187 7.761 1.00 0.00 C ATOM 452 CG LYS A 29 5.859 -5.454 8.548 1.00 0.00 C ATOM 453 CD LYS A 29 6.611 -6.468 7.679 1.00 0.00 C ATOM 454 CE LYS A 29 6.694 -7.853 8.328 1.00 0.00 C ATOM 455 NZ LYS A 29 7.341 -7.806 9.652 1.00 0.00 N ATOM 0 H LYS A 29 4.884 -2.373 6.306 1.00 0.00 H new ATOM 0 HA LYS A 29 4.623 -5.109 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.419 -3.870 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.284 -3.391 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.464 -5.197 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.939 -5.903 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.113 -6.553 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.619 -6.100 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.690 -8.266 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.251 -8.526 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.438 -8.772 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.283 -7.373 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.760 -7.240 10.303 1.00 0.00 H new ATOM 469 N LEU A 30 2.620 -4.042 8.439 1.00 0.00 N ATOM 470 CA LEU A 30 1.394 -4.350 9.160 1.00 0.00 C ATOM 471 C LEU A 30 0.198 -4.417 8.201 1.00 0.00 C ATOM 472 O LEU A 30 -0.595 -5.354 8.270 1.00 0.00 O ATOM 473 CB LEU A 30 1.112 -3.391 10.331 1.00 0.00 C ATOM 474 CG LEU A 30 1.841 -2.041 10.392 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.038 -1.063 11.258 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.242 -2.161 10.999 1.00 0.00 C ATOM 0 H LEU A 30 3.083 -3.189 8.752 1.00 0.00 H new ATOM 0 HA LEU A 30 1.543 -5.333 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.042 -3.185 10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.337 -3.926 11.254 1.00 0.00 H new ATOM 0 HG LEU A 30 1.934 -1.685 9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.556 -0.105 11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.048 -0.921 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.938 -1.467 12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.715 -1.179 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.166 -2.549 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.843 -2.841 10.395 1.00 0.00 H new ATOM 488 N LEU A 31 0.058 -3.427 7.315 1.00 0.00 N ATOM 489 CA LEU A 31 -1.037 -3.355 6.347 1.00 0.00 C ATOM 490 C LEU A 31 -1.244 -4.685 5.630 1.00 0.00 C ATOM 491 O LEU A 31 -2.325 -5.282 5.681 1.00 0.00 O ATOM 492 CB LEU A 31 -0.744 -2.261 5.309 1.00 0.00 C ATOM 493 CG LEU A 31 -1.980 -1.610 4.664 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.580 -0.952 3.341 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.173 -2.534 4.415 1.00 0.00 C ATOM 0 H LEU A 31 0.710 -2.645 7.250 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.948 -3.118 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.152 -1.481 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.127 -2.690 4.519 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.325 -0.885 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.456 -0.491 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.824 -0.189 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.175 -1.707 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.984 -1.966 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.874 -3.342 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.512 -2.953 5.362 1.00 0.00 H new ATOM 507 N LEU A 32 -0.186 -5.134 4.953 1.00 0.00 N ATOM 508 CA LEU A 32 -0.212 -6.347 4.163 1.00 0.00 C ATOM 509 C LEU A 32 -0.680 -7.516 5.001 1.00 0.00 C ATOM 510 O LEU A 32 -1.572 -8.266 4.616 1.00 0.00 O ATOM 511 CB LEU A 32 1.179 -6.677 3.608 1.00 0.00 C ATOM 512 CG LEU A 32 1.661 -5.666 2.571 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.164 -5.864 2.364 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.926 -5.811 1.232 1.00 0.00 C ATOM 0 H LEU A 32 0.715 -4.656 4.943 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.902 -6.179 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.893 -6.714 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.159 -7.670 3.158 1.00 0.00 H new ATOM 0 HG LEU A 32 1.449 -4.664 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.527 -5.149 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.685 -5.706 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.352 -6.878 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.304 -5.070 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.093 -6.811 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.142 -5.655 1.384 1.00 0.00 H new ATOM 526 N GLN A 33 -0.057 -7.663 6.163 1.00 0.00 N ATOM 527 CA GLN A 33 -0.344 -8.749 7.057 1.00 0.00 C ATOM 528 C GLN A 33 -1.801 -8.720 7.509 1.00 0.00 C ATOM 529 O GLN A 33 -2.445 -9.763 7.574 1.00 0.00 O ATOM 530 CB GLN A 33 0.614 -8.604 8.227 1.00 0.00 C ATOM 531 CG GLN A 33 1.998 -9.168 7.891 1.00 0.00 C ATOM 532 CD GLN A 33 2.947 -8.905 9.047 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.446 -9.810 9.701 1.00 0.00 O ATOM 534 NE2 GLN A 33 3.215 -7.641 9.313 1.00 0.00 N ATOM 0 H GLN A 33 0.662 -7.024 6.502 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.206 -9.712 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.704 -7.552 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.210 -9.122 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.929 -10.239 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.380 -8.705 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.788 -6.901 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.849 -7.404 10.076 1.00 0.00 H new ATOM 543 N THR A 34 -2.323 -7.534 7.826 1.00 0.00 N ATOM 544 CA THR A 34 -3.686 -7.425 8.309 1.00 0.00 C ATOM 545 C THR A 34 -4.725 -7.738 7.230 1.00 0.00 C ATOM 546 O THR A 34 -5.602 -8.564 7.466 1.00 0.00 O ATOM 547 CB THR A 34 -3.983 -6.042 8.914 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.933 -5.528 9.716 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.238 -6.141 9.794 1.00 0.00 C ATOM 0 H THR A 34 -1.823 -6.648 7.756 1.00 0.00 H new ATOM 0 HA THR A 34 -3.769 -8.178 9.093 1.00 0.00 H new ATOM 0 HB THR A 34 -4.115 -5.363 8.072 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.138 -5.386 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.456 -5.165 10.227 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.083 -6.466 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.066 -6.862 10.593 1.00 0.00 H new ATOM 557 N GLU A 35 -4.669 -7.055 6.075 1.00 0.00 N ATOM 558 CA GLU A 35 -5.726 -7.167 5.066 1.00 0.00 C ATOM 559 C GLU A 35 -5.328 -7.730 3.699 1.00 0.00 C ATOM 560 O GLU A 35 -6.186 -7.839 2.829 1.00 0.00 O ATOM 561 CB GLU A 35 -6.467 -5.827 4.980 1.00 0.00 C ATOM 562 CG GLU A 35 -6.983 -5.447 6.382 1.00 0.00 C ATOM 563 CD GLU A 35 -8.070 -4.382 6.367 1.00 0.00 C ATOM 564 OE1 GLU A 35 -9.131 -4.661 5.767 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.830 -3.313 6.972 1.00 0.00 O ATOM 0 H GLU A 35 -3.908 -6.425 5.821 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.397 -7.951 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.800 -5.052 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.299 -5.901 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.369 -6.341 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.146 -5.091 6.983 1.00 0.00 H new ATOM 572 N PHE A 36 -4.069 -8.123 3.499 1.00 0.00 N ATOM 573 CA PHE A 36 -3.613 -8.763 2.266 1.00 0.00 C ATOM 574 C PHE A 36 -2.881 -10.080 2.593 1.00 0.00 C ATOM 575 O PHE A 36 -1.851 -10.351 1.976 1.00 0.00 O ATOM 576 CB PHE A 36 -2.691 -7.809 1.483 1.00 0.00 C ATOM 577 CG PHE A 36 -3.322 -6.538 0.933 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.667 -5.475 1.790 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.454 -6.371 -0.459 1.00 0.00 C ATOM 580 CE1 PHE A 36 -4.187 -4.280 1.260 1.00 0.00 C ATOM 581 CE2 PHE A 36 -3.956 -5.171 -0.989 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.322 -4.125 -0.129 1.00 0.00 C ATOM 0 H PHE A 36 -3.332 -8.005 4.194 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.478 -8.993 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.866 -7.523 2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.260 -8.362 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.532 -5.577 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.167 -7.172 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.483 -3.480 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.060 -5.054 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.707 -3.201 -0.535 1.00 0.00 H new ATOM 592 N PRO A 37 -3.368 -10.923 3.529 1.00 0.00 N ATOM 593 CA PRO A 37 -2.683 -12.152 3.909 1.00 0.00 C ATOM 594 C PRO A 37 -2.543 -13.121 2.736 1.00 0.00 C ATOM 595 O PRO A 37 -1.534 -13.807 2.621 1.00 0.00 O ATOM 596 CB PRO A 37 -3.489 -12.751 5.066 1.00 0.00 C ATOM 597 CG PRO A 37 -4.888 -12.177 4.862 1.00 0.00 C ATOM 598 CD PRO A 37 -4.591 -10.786 4.308 1.00 0.00 C ATOM 0 HA PRO A 37 -1.658 -11.946 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.493 -13.840 5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.075 -12.465 6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.475 -12.775 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.449 -12.132 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.412 -10.429 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.463 -10.063 5.114 1.00 0.00 H new ATOM 606 N SER A 38 -3.546 -13.190 1.859 1.00 0.00 N ATOM 607 CA SER A 38 -3.480 -14.070 0.703 1.00 0.00 C ATOM 608 C SER A 38 -2.671 -13.400 -0.405 1.00 0.00 C ATOM 609 O SER A 38 -1.744 -13.990 -0.947 1.00 0.00 O ATOM 610 CB SER A 38 -4.891 -14.476 0.254 1.00 0.00 C ATOM 611 OG SER A 38 -4.841 -15.531 -0.686 1.00 0.00 O ATOM 0 H SER A 38 -4.407 -12.648 1.931 1.00 0.00 H new ATOM 0 HA SER A 38 -2.965 -14.994 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.477 -14.783 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.398 -13.617 -0.185 1.00 0.00 H new ATOM 0 HG SER A 38 -5.752 -15.773 -0.955 1.00 0.00 H new ATOM 617 N LEU A 39 -3.006 -12.159 -0.753 1.00 0.00 N ATOM 618 CA LEU A 39 -2.351 -11.411 -1.793 1.00 0.00 C ATOM 619 C LEU A 39 -0.837 -11.329 -1.565 1.00 0.00 C ATOM 620 O LEU A 39 -0.070 -11.393 -2.527 1.00 0.00 O ATOM 621 CB LEU A 39 -3.041 -10.045 -1.850 1.00 0.00 C ATOM 622 CG LEU A 39 -4.402 -10.084 -2.571 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.558 -10.506 -1.653 1.00 0.00 C ATOM 624 CD2 LEU A 39 -4.736 -8.712 -3.169 1.00 0.00 C ATOM 0 H LEU A 39 -3.761 -11.644 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.446 -11.904 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.185 -9.675 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.388 -9.336 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.301 -10.833 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.489 -10.514 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.364 -11.504 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.643 -9.800 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.701 -8.760 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.780 -7.969 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.965 -8.430 -3.886 1.00 0.00 H new ATOM 636 N LEU A 40 -0.376 -11.216 -0.313 1.00 0.00 N ATOM 637 CA LEU A 40 1.064 -11.136 -0.063 1.00 0.00 C ATOM 638 C LEU A 40 1.798 -12.420 -0.468 1.00 0.00 C ATOM 639 O LEU A 40 3.017 -12.405 -0.617 1.00 0.00 O ATOM 640 CB LEU A 40 1.389 -10.639 1.355 1.00 0.00 C ATOM 641 CG LEU A 40 1.035 -11.578 2.520 1.00 0.00 C ATOM 642 CD1 LEU A 40 1.987 -12.771 2.661 1.00 0.00 C ATOM 643 CD2 LEU A 40 1.063 -10.773 3.825 1.00 0.00 C ATOM 0 H LEU A 40 -0.963 -11.179 0.521 1.00 0.00 H new ATOM 0 HA LEU A 40 1.462 -10.366 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.457 -10.426 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.868 -9.694 1.511 1.00 0.00 H new ATOM 0 HG LEU A 40 0.046 -11.984 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.674 -13.388 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.964 -13.365 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.001 -12.409 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.814 -11.426 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.059 -10.357 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.336 -9.963 3.768 1.00 0.00 H new ATOM 655 N LYS A 41 1.077 -13.529 -0.679 1.00 0.00 N ATOM 656 CA LYS A 41 1.682 -14.784 -1.107 1.00 0.00 C ATOM 657 C LYS A 41 2.187 -14.686 -2.554 1.00 0.00 C ATOM 658 O LYS A 41 2.854 -15.610 -3.009 1.00 0.00 O ATOM 659 CB LYS A 41 0.687 -15.945 -0.963 1.00 0.00 C ATOM 660 CG LYS A 41 0.143 -16.134 0.462 1.00 0.00 C ATOM 661 CD LYS A 41 1.195 -16.733 1.406 1.00 0.00 C ATOM 662 CE LYS A 41 0.591 -17.054 2.779 1.00 0.00 C ATOM 663 NZ LYS A 41 0.221 -15.835 3.519 1.00 0.00 N ATOM 0 H LYS A 41 0.065 -13.575 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 41 2.537 -14.981 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.150 -15.778 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.174 -16.867 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.189 -15.172 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.730 -16.785 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.607 -17.641 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.022 -16.033 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.291 -17.681 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.308 -17.630 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.319 -16.095 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.082 -15.324 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.362 -15.224 2.912 1.00 0.00 H new ATOM 677 N GLY A 42 1.881 -13.593 -3.272 1.00 0.00 N ATOM 678 CA GLY A 42 2.311 -13.343 -4.645 1.00 0.00 C ATOM 679 C GLY A 42 3.747 -13.801 -4.917 1.00 0.00 C ATOM 680 O GLY A 42 3.999 -14.451 -5.926 1.00 0.00 O ATOM 0 H GLY A 42 1.308 -12.838 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.636 -13.856 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.230 -12.277 -4.857 1.00 0.00 H new ATOM 684 N GLY A 43 4.680 -13.468 -4.017 1.00 0.00 N ATOM 685 CA GLY A 43 6.075 -13.878 -4.114 1.00 0.00 C ATOM 686 C GLY A 43 7.003 -12.675 -4.195 1.00 0.00 C ATOM 687 O GLY A 43 7.612 -12.420 -5.228 1.00 0.00 O ATOM 0 H GLY A 43 4.479 -12.900 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.338 -14.485 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.211 -14.504 -4.996 1.00 0.00 H new ATOM 691 N SER A 44 7.117 -11.929 -3.096 1.00 0.00 N ATOM 692 CA SER A 44 7.973 -10.761 -2.993 1.00 0.00 C ATOM 693 C SER A 44 8.116 -10.443 -1.508 1.00 0.00 C ATOM 694 O SER A 44 7.164 -10.642 -0.755 1.00 0.00 O ATOM 695 CB SER A 44 7.349 -9.591 -3.765 1.00 0.00 C ATOM 696 OG SER A 44 8.222 -8.477 -3.746 1.00 0.00 O ATOM 0 H SER A 44 6.603 -12.129 -2.238 1.00 0.00 H new ATOM 0 HA SER A 44 8.956 -10.942 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.149 -9.889 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.391 -9.321 -3.320 1.00 0.00 H new ATOM 0 HG SER A 44 7.817 -7.735 -4.242 1.00 0.00 H new ATOM 702 N THR A 45 9.283 -9.969 -1.075 1.00 0.00 N ATOM 703 CA THR A 45 9.526 -9.620 0.313 1.00 0.00 C ATOM 704 C THR A 45 9.004 -8.204 0.555 1.00 0.00 C ATOM 705 O THR A 45 8.785 -7.455 -0.392 1.00 0.00 O ATOM 706 CB THR A 45 11.030 -9.721 0.602 1.00 0.00 C ATOM 707 OG1 THR A 45 11.740 -8.935 -0.333 1.00 0.00 O ATOM 708 CG2 THR A 45 11.511 -11.172 0.501 1.00 0.00 C ATOM 0 H THR A 45 10.087 -9.818 -1.684 1.00 0.00 H new ATOM 0 HA THR A 45 9.007 -10.304 0.985 1.00 0.00 H new ATOM 0 HB THR A 45 11.211 -9.362 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.701 -8.996 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.580 -11.216 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.974 -11.785 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.322 -11.549 -0.504 1.00 0.00 H new ATOM 716 N LEU A 46 8.812 -7.828 1.823 1.00 0.00 N ATOM 717 CA LEU A 46 8.331 -6.503 2.206 1.00 0.00 C ATOM 718 C LEU A 46 9.101 -5.415 1.462 1.00 0.00 C ATOM 719 O LEU A 46 8.505 -4.520 0.877 1.00 0.00 O ATOM 720 CB LEU A 46 8.474 -6.342 3.730 1.00 0.00 C ATOM 721 CG LEU A 46 8.035 -4.991 4.333 1.00 0.00 C ATOM 722 CD1 LEU A 46 9.053 -3.855 4.177 1.00 0.00 C ATOM 723 CD2 LEU A 46 6.655 -4.550 3.844 1.00 0.00 C ATOM 0 H LEU A 46 8.989 -8.443 2.618 1.00 0.00 H new ATOM 0 HA LEU A 46 7.281 -6.401 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.896 -7.132 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.519 -6.507 3.992 1.00 0.00 H new ATOM 0 HG LEU A 46 7.975 -5.194 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.657 -2.947 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.985 -4.131 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.242 -3.679 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.396 -3.594 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.670 -4.443 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.913 -5.298 4.124 1.00 0.00 H new ATOM 735 N ASP A 47 10.429 -5.502 1.492 1.00 0.00 N ATOM 736 CA ASP A 47 11.354 -4.563 0.897 1.00 0.00 C ATOM 737 C ASP A 47 11.130 -4.488 -0.601 1.00 0.00 C ATOM 738 O ASP A 47 10.859 -3.412 -1.109 1.00 0.00 O ATOM 739 CB ASP A 47 12.799 -4.965 1.226 1.00 0.00 C ATOM 740 CG ASP A 47 13.029 -5.051 2.731 1.00 0.00 C ATOM 741 OD1 ASP A 47 12.632 -6.095 3.296 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.570 -4.073 3.288 1.00 0.00 O ATOM 0 H ASP A 47 10.906 -6.273 1.959 1.00 0.00 H new ATOM 0 HA ASP A 47 11.177 -3.571 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.023 -5.928 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.487 -4.239 0.793 1.00 0.00 H new ATOM 747 N GLU A 48 11.234 -5.613 -1.310 1.00 0.00 N ATOM 748 CA GLU A 48 11.061 -5.648 -2.757 1.00 0.00 C ATOM 749 C GLU A 48 9.686 -5.104 -3.151 1.00 0.00 C ATOM 750 O GLU A 48 9.573 -4.245 -4.021 1.00 0.00 O ATOM 751 CB GLU A 48 11.267 -7.082 -3.259 1.00 0.00 C ATOM 752 CG GLU A 48 12.706 -7.569 -3.035 1.00 0.00 C ATOM 753 CD GLU A 48 13.718 -6.784 -3.863 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.720 -6.986 -5.096 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.464 -5.993 -3.246 1.00 0.00 O ATOM 0 H GLU A 48 11.440 -6.522 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 48 11.806 -5.007 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.575 -7.749 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.029 -7.132 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.957 -7.480 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.773 -8.627 -3.290 1.00 0.00 H new ATOM 762 N LEU A 49 8.637 -5.599 -2.499 1.00 0.00 N ATOM 763 CA LEU A 49 7.267 -5.185 -2.741 1.00 0.00 C ATOM 764 C LEU A 49 7.120 -3.679 -2.521 1.00 0.00 C ATOM 765 O LEU A 49 6.713 -2.955 -3.427 1.00 0.00 O ATOM 766 CB LEU A 49 6.348 -6.021 -1.844 1.00 0.00 C ATOM 767 CG LEU A 49 4.902 -5.528 -1.809 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.268 -5.424 -3.202 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.082 -6.508 -0.965 1.00 0.00 C ATOM 0 H LEU A 49 8.722 -6.312 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 49 6.980 -5.363 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.361 -7.055 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.747 -6.019 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 49 4.905 -4.525 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.242 -5.069 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.840 -4.724 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.271 -6.405 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.045 -6.175 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.128 -7.501 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.489 -6.547 0.046 1.00 0.00 H new ATOM 781 N PHE A 50 7.468 -3.195 -1.328 1.00 0.00 N ATOM 782 CA PHE A 50 7.435 -1.793 -0.992 1.00 0.00 C ATOM 783 C PHE A 50 8.267 -1.036 -2.012 1.00 0.00 C ATOM 784 O PHE A 50 7.892 0.063 -2.382 1.00 0.00 O ATOM 785 CB PHE A 50 8.021 -1.590 0.407 1.00 0.00 C ATOM 786 CG PHE A 50 8.390 -0.153 0.671 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.390 0.785 0.969 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.675 0.280 0.300 1.00 0.00 C ATOM 789 CE1 PHE A 50 7.716 2.150 1.048 1.00 0.00 C ATOM 790 CE2 PHE A 50 9.996 1.646 0.347 1.00 0.00 C ATOM 791 CZ PHE A 50 9.027 2.577 0.765 1.00 0.00 C ATOM 0 H PHE A 50 7.785 -3.788 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 50 6.409 -1.426 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.297 -1.920 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.905 -2.217 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.374 0.460 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.415 -0.438 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.961 2.871 1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.983 1.981 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.289 3.619 0.869 1.00 0.00 H new ATOM 801 N GLU A 51 9.395 -1.589 -2.459 1.00 0.00 N ATOM 802 CA GLU A 51 10.220 -0.879 -3.425 1.00 0.00 C ATOM 803 C GLU A 51 9.509 -0.751 -4.772 1.00 0.00 C ATOM 804 O GLU A 51 9.544 0.317 -5.374 1.00 0.00 O ATOM 805 CB GLU A 51 11.618 -1.501 -3.534 1.00 0.00 C ATOM 806 CG GLU A 51 12.631 -0.440 -3.966 1.00 0.00 C ATOM 807 CD GLU A 51 14.028 -1.036 -4.101 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.338 -1.513 -5.214 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.756 -1.014 -3.085 1.00 0.00 O ATOM 0 H GLU A 51 9.748 -2.503 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 51 10.372 0.138 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.912 -1.926 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.606 -2.319 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.324 -0.006 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.647 0.370 -3.237 1.00 0.00 H new ATOM 816 N GLU A 52 8.842 -1.813 -5.243 1.00 0.00 N ATOM 817 CA GLU A 52 8.075 -1.748 -6.483 1.00 0.00 C ATOM 818 C GLU A 52 7.043 -0.639 -6.315 1.00 0.00 C ATOM 819 O GLU A 52 6.871 0.223 -7.171 1.00 0.00 O ATOM 820 CB GLU A 52 7.381 -3.093 -6.753 1.00 0.00 C ATOM 821 CG GLU A 52 6.275 -2.949 -7.816 1.00 0.00 C ATOM 822 CD GLU A 52 5.665 -4.285 -8.226 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.626 -5.192 -7.366 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.230 -4.367 -9.397 1.00 0.00 O ATOM 0 H GLU A 52 8.821 -2.723 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 52 8.727 -1.541 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.117 -3.824 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.951 -3.475 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.489 -2.301 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.688 -2.458 -8.698 1.00 0.00 H new ATOM 831 N LEU A 53 6.352 -0.691 -5.181 1.00 0.00 N ATOM 832 CA LEU A 53 5.347 0.274 -4.799 1.00 0.00 C ATOM 833 C LEU A 53 5.912 1.698 -4.801 1.00 0.00 C ATOM 834 O LEU A 53 5.340 2.587 -5.424 1.00 0.00 O ATOM 835 CB LEU A 53 4.823 -0.118 -3.410 1.00 0.00 C ATOM 836 CG LEU A 53 3.568 -0.990 -3.473 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.483 -1.860 -2.220 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.341 -0.079 -3.531 1.00 0.00 C ATOM 0 H LEU A 53 6.485 -1.428 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 53 4.530 0.267 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.604 -0.653 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.604 0.786 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 53 3.608 -1.629 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.588 -2.480 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.364 -2.499 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.436 -1.223 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.438 -0.688 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.311 0.549 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.398 0.552 -4.418 1.00 0.00 H new ATOM 850 N ASP A 54 7.028 1.931 -4.113 1.00 0.00 N ATOM 851 CA ASP A 54 7.672 3.224 -3.959 1.00 0.00 C ATOM 852 C ASP A 54 8.534 3.498 -5.191 1.00 0.00 C ATOM 853 O ASP A 54 9.748 3.658 -5.084 1.00 0.00 O ATOM 854 CB ASP A 54 8.498 3.227 -2.658 1.00 0.00 C ATOM 855 CG ASP A 54 9.088 4.601 -2.345 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.764 5.561 -3.078 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.888 4.692 -1.385 1.00 0.00 O ATOM 0 H ASP A 54 7.527 1.186 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 54 6.933 4.022 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.866 2.909 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.305 2.499 -2.742 1.00 0.00 H new ATOM 862 N LYS A 55 7.891 3.549 -6.358 1.00 0.00 N ATOM 863 CA LYS A 55 8.505 3.766 -7.663 1.00 0.00 C ATOM 864 C LYS A 55 9.650 4.783 -7.642 1.00 0.00 C ATOM 865 O LYS A 55 10.722 4.504 -8.170 1.00 0.00 O ATOM 866 CB LYS A 55 7.433 4.206 -8.673 1.00 0.00 C ATOM 867 CG LYS A 55 6.389 3.121 -8.985 1.00 0.00 C ATOM 868 CD LYS A 55 6.934 1.933 -9.798 1.00 0.00 C ATOM 869 CE LYS A 55 7.523 2.311 -11.163 1.00 0.00 C ATOM 870 NZ LYS A 55 6.575 3.091 -11.978 1.00 0.00 N ATOM 0 H LYS A 55 6.879 3.434 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 55 8.945 2.815 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.922 5.087 -8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.922 4.504 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.980 2.747 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.564 3.574 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.703 1.430 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.129 1.214 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.435 2.889 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.803 1.405 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.973 3.238 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.676 2.574 -12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.406 4.013 -11.527 1.00 0.00 H new ATOM 884 N ASN A 56 9.429 5.966 -7.057 1.00 0.00 N ATOM 885 CA ASN A 56 10.447 7.016 -7.036 1.00 0.00 C ATOM 886 C ASN A 56 11.402 6.949 -5.840 1.00 0.00 C ATOM 887 O ASN A 56 12.339 7.744 -5.793 1.00 0.00 O ATOM 888 CB ASN A 56 9.815 8.410 -7.200 1.00 0.00 C ATOM 889 CG ASN A 56 9.439 9.109 -5.893 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.271 9.256 -5.567 1.00 0.00 O ATOM 891 ND2 ASN A 56 10.415 9.560 -5.120 1.00 0.00 N ATOM 0 H ASN A 56 8.556 6.217 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 56 11.081 6.827 -7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.512 9.046 -7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.920 8.316 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.194 10.035 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.388 9.433 -5.400 1.00 0.00 H new ATOM 898 N GLY A 57 11.190 6.051 -4.874 1.00 0.00 N ATOM 899 CA GLY A 57 12.043 5.964 -3.700 1.00 0.00 C ATOM 900 C GLY A 57 11.877 7.216 -2.842 1.00 0.00 C ATOM 901 O GLY A 57 12.836 7.955 -2.638 1.00 0.00 O ATOM 0 H GLY A 57 10.428 5.373 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.787 5.078 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.084 5.856 -4.004 1.00 0.00 H new ATOM 905 N ASP A 58 10.666 7.462 -2.328 1.00 0.00 N ATOM 906 CA ASP A 58 10.379 8.639 -1.512 1.00 0.00 C ATOM 907 C ASP A 58 10.555 8.327 -0.027 1.00 0.00 C ATOM 908 O ASP A 58 10.609 9.243 0.788 1.00 0.00 O ATOM 909 CB ASP A 58 8.999 9.242 -1.836 1.00 0.00 C ATOM 910 CG ASP A 58 7.804 8.466 -1.293 1.00 0.00 C ATOM 911 OD1 ASP A 58 7.642 8.469 -0.054 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.045 7.928 -2.126 1.00 0.00 O ATOM 0 H ASP A 58 9.862 6.850 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 58 11.107 9.410 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.962 10.257 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.900 9.319 -2.919 1.00 0.00 H new ATOM 917 N GLY A 59 10.633 7.041 0.330 1.00 0.00 N ATOM 918 CA GLY A 59 10.790 6.594 1.708 1.00 0.00 C ATOM 919 C GLY A 59 9.493 5.950 2.180 1.00 0.00 C ATOM 920 O GLY A 59 9.507 5.043 3.012 1.00 0.00 O ATOM 0 H GLY A 59 10.588 6.275 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.611 5.880 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.045 7.438 2.349 1.00 0.00 H new ATOM 924 N GLU A 60 8.364 6.410 1.638 1.00 0.00 N ATOM 925 CA GLU A 60 7.045 5.900 1.905 1.00 0.00 C ATOM 926 C GLU A 60 6.398 5.613 0.539 1.00 0.00 C ATOM 927 O GLU A 60 7.080 5.515 -0.475 1.00 0.00 O ATOM 928 CB GLU A 60 6.283 6.981 2.686 1.00 0.00 C ATOM 929 CG GLU A 60 7.055 7.617 3.856 1.00 0.00 C ATOM 930 CD GLU A 60 6.250 8.741 4.508 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.213 9.835 3.901 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.676 8.496 5.591 1.00 0.00 O ATOM 0 H GLU A 60 8.359 7.183 0.973 1.00 0.00 H new ATOM 0 HA GLU A 60 7.045 4.985 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.993 7.770 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.363 6.544 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.286 6.854 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.006 8.010 3.496 1.00 0.00 H new ATOM 939 N VAL A 61 5.080 5.492 0.519 1.00 0.00 N ATOM 940 CA VAL A 61 4.192 5.302 -0.617 1.00 0.00 C ATOM 941 C VAL A 61 3.060 6.290 -0.339 1.00 0.00 C ATOM 942 O VAL A 61 2.995 6.833 0.755 1.00 0.00 O ATOM 943 CB VAL A 61 3.706 3.834 -0.628 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.491 3.562 -1.523 1.00 0.00 C ATOM 945 CG2 VAL A 61 4.843 2.916 -1.080 1.00 0.00 C ATOM 0 H VAL A 61 4.551 5.528 1.390 1.00 0.00 H new ATOM 0 HA VAL A 61 4.646 5.478 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 61 3.394 3.632 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.225 2.507 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.649 4.167 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.734 3.818 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.496 1.883 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.161 3.198 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.683 3.012 -0.393 1.00 0.00 H new ATOM 955 N SER A 62 2.148 6.531 -1.271 1.00 0.00 N ATOM 956 CA SER A 62 0.985 7.387 -1.075 1.00 0.00 C ATOM 957 C SER A 62 -0.133 6.727 -1.858 1.00 0.00 C ATOM 958 O SER A 62 0.140 5.828 -2.652 1.00 0.00 O ATOM 959 CB SER A 62 1.220 8.819 -1.565 1.00 0.00 C ATOM 960 OG SER A 62 1.229 8.822 -2.974 1.00 0.00 O ATOM 0 H SER A 62 2.197 6.127 -2.206 1.00 0.00 H new ATOM 0 HA SER A 62 0.751 7.483 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.437 9.479 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.167 9.199 -1.181 1.00 0.00 H new ATOM 0 HG SER A 62 1.377 9.735 -3.298 1.00 0.00 H new ATOM 966 N PHE A 63 -1.377 7.157 -1.672 1.00 0.00 N ATOM 967 CA PHE A 63 -2.467 6.573 -2.432 1.00 0.00 C ATOM 968 C PHE A 63 -2.237 6.737 -3.932 1.00 0.00 C ATOM 969 O PHE A 63 -2.676 5.893 -4.702 1.00 0.00 O ATOM 970 CB PHE A 63 -3.804 7.155 -1.994 1.00 0.00 C ATOM 971 CG PHE A 63 -4.994 6.646 -2.786 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.571 5.412 -2.440 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.392 7.290 -3.974 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.625 4.884 -3.207 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.378 6.709 -4.793 1.00 0.00 C ATOM 976 CZ PHE A 63 -7.059 5.558 -4.360 1.00 0.00 C ATOM 0 H PHE A 63 -1.648 7.890 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.495 5.503 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.959 6.926 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.761 8.241 -2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.204 4.868 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.940 8.230 -4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.100 3.961 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.611 7.147 -5.752 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.913 5.193 -4.912 1.00 0.00 H new ATOM 986 N GLU A 64 -1.534 7.798 -4.343 1.00 0.00 N ATOM 987 CA GLU A 64 -1.325 8.136 -5.740 1.00 0.00 C ATOM 988 C GLU A 64 -0.558 6.992 -6.372 1.00 0.00 C ATOM 989 O GLU A 64 -1.010 6.274 -7.258 1.00 0.00 O ATOM 990 CB GLU A 64 -0.521 9.451 -5.804 1.00 0.00 C ATOM 991 CG GLU A 64 -0.500 10.005 -7.232 1.00 0.00 C ATOM 992 CD GLU A 64 0.255 11.328 -7.296 1.00 0.00 C ATOM 993 OE1 GLU A 64 1.500 11.266 -7.370 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.428 12.375 -7.256 1.00 0.00 O ATOM 0 H GLU A 64 -1.090 8.451 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.264 8.280 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.962 10.186 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.499 9.276 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.030 9.282 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.521 10.148 -7.585 1.00 0.00 H new ATOM 1001 N GLU A 65 0.637 6.857 -5.825 1.00 0.00 N ATOM 1002 CA GLU A 65 1.646 5.893 -6.139 1.00 0.00 C ATOM 1003 C GLU A 65 1.028 4.494 -6.047 1.00 0.00 C ATOM 1004 O GLU A 65 1.124 3.689 -6.969 1.00 0.00 O ATOM 1005 CB GLU A 65 2.698 6.187 -5.070 1.00 0.00 C ATOM 1006 CG GLU A 65 3.784 5.149 -4.936 1.00 0.00 C ATOM 1007 CD GLU A 65 4.838 5.305 -6.030 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.484 5.032 -7.197 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.968 5.715 -5.688 1.00 0.00 O ATOM 0 H GLU A 65 0.942 7.485 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 65 2.076 5.941 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.161 7.148 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.196 6.291 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.256 5.238 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.346 4.152 -4.989 1.00 0.00 H new ATOM 1016 N PHE A 66 0.371 4.215 -4.919 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.300 2.952 -4.644 1.00 0.00 C ATOM 1018 C PHE A 66 -1.233 2.521 -5.777 1.00 0.00 C ATOM 1019 O PHE A 66 -1.392 1.318 -5.982 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.016 3.086 -3.297 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.987 1.992 -2.910 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.569 0.652 -2.846 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.300 2.331 -2.545 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.502 -0.362 -2.571 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.193 1.333 -2.126 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.806 -0.019 -2.173 1.00 0.00 C ATOM 0 H PHE A 66 0.292 4.884 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 66 0.435 2.150 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.257 3.153 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.558 4.032 -3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.531 0.402 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.623 3.361 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.219 -1.400 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.176 1.602 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.510 -0.792 -1.904 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.833 3.445 -6.546 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.679 3.018 -7.659 1.00 0.00 C ATOM 1038 C GLN A 67 -1.935 2.113 -8.640 1.00 0.00 C ATOM 1039 O GLN A 67 -2.557 1.280 -9.293 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.480 4.146 -8.328 1.00 0.00 C ATOM 1041 CG GLN A 67 -4.276 4.991 -7.338 1.00 0.00 C ATOM 1042 CD GLN A 67 -5.061 4.103 -6.381 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -6.118 3.581 -6.711 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.551 3.907 -5.179 1.00 0.00 N ATOM 0 H GLN A 67 -1.750 4.454 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.455 2.399 -7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.795 4.792 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.164 3.713 -9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.599 5.633 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.960 5.645 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.669 4.350 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.039 3.313 -4.509 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.608 2.227 -8.720 1.00 0.00 N ATOM 1054 CA VAL A 68 0.179 1.326 -9.546 1.00 0.00 C ATOM 1055 C VAL A 68 -0.057 -0.107 -9.047 1.00 0.00 C ATOM 1056 O VAL A 68 -0.257 -1.020 -9.842 1.00 0.00 O ATOM 1057 CB VAL A 68 1.666 1.724 -9.516 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.530 0.722 -10.294 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.864 3.117 -10.131 1.00 0.00 C ATOM 0 H VAL A 68 -0.063 2.932 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.131 1.389 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 68 1.975 1.729 -8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.574 1.033 -10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.428 -0.268 -9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.202 0.689 -11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.921 3.381 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.521 3.110 -11.166 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.291 3.850 -9.564 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.066 -0.317 -7.728 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.298 -1.636 -7.154 1.00 0.00 C ATOM 1071 C LEU A 69 -1.771 -2.005 -7.370 1.00 0.00 C ATOM 1072 O LEU A 69 -2.077 -3.123 -7.781 1.00 0.00 O ATOM 1073 CB LEU A 69 0.133 -1.630 -5.682 1.00 0.00 C ATOM 1074 CG LEU A 69 0.421 -2.993 -5.021 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -0.809 -3.898 -4.938 1.00 0.00 C ATOM 1076 CD2 LEU A 69 1.571 -3.746 -5.702 1.00 0.00 C ATOM 0 H LEU A 69 0.086 0.418 -7.037 1.00 0.00 H new ATOM 0 HA LEU A 69 0.300 -2.405 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.031 -1.018 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.647 -1.134 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 69 0.721 -2.746 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.536 -4.840 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.584 -3.406 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.185 -4.094 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.732 -4.699 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.319 -3.927 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.481 -3.148 -5.647 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.688 -1.059 -7.122 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.121 -1.291 -7.347 1.00 0.00 C ATOM 1090 C VAL A 70 -4.348 -1.752 -8.794 1.00 0.00 C ATOM 1091 O VAL A 70 -5.236 -2.554 -9.060 1.00 0.00 O ATOM 1092 CB VAL A 70 -4.982 -0.068 -6.982 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.477 -0.363 -7.174 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -4.765 0.339 -5.518 1.00 0.00 C ATOM 0 H VAL A 70 -2.464 -0.130 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.448 -2.085 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.676 0.741 -7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.059 0.519 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.666 -0.622 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.769 -1.196 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.385 1.205 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.040 -0.490 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.716 0.591 -5.362 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.549 -1.265 -9.743 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.618 -1.718 -11.114 1.00 0.00 C ATOM 1106 C LYS A 71 -2.980 -3.110 -11.212 1.00 0.00 C ATOM 1107 O LYS A 71 -3.575 -4.030 -11.771 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.928 -0.686 -12.021 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.935 -1.063 -13.509 1.00 0.00 C ATOM 1110 CD LYS A 71 -4.331 -1.381 -14.058 1.00 0.00 C ATOM 1111 CE LYS A 71 -5.291 -0.189 -13.944 1.00 0.00 C ATOM 1112 NZ LYS A 71 -6.589 -0.486 -14.573 1.00 0.00 N ATOM 0 H LYS A 71 -2.842 -0.549 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.652 -1.806 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.421 0.278 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.896 -0.561 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.506 -0.243 -14.085 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.290 -1.929 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.248 -1.678 -15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.746 -2.231 -13.517 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.442 0.060 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.846 0.686 -14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.216 0.338 -14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.446 -0.700 -15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.023 -1.306 -14.103 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.766 -3.286 -10.674 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.009 -4.507 -10.750 1.00 0.00 C ATOM 1128 C LYS A 72 -1.693 -5.724 -10.136 1.00 0.00 C ATOM 1129 O LYS A 72 -1.383 -6.840 -10.538 1.00 0.00 O ATOM 1130 CB LYS A 72 0.354 -4.310 -10.118 1.00 0.00 C ATOM 1131 CG LYS A 72 1.286 -3.350 -10.868 1.00 0.00 C ATOM 1132 CD LYS A 72 2.318 -4.159 -11.664 1.00 0.00 C ATOM 1133 CE LYS A 72 3.321 -3.257 -12.392 1.00 0.00 C ATOM 1134 NZ LYS A 72 4.169 -2.511 -11.445 1.00 0.00 N ATOM 0 H LYS A 72 -1.283 -2.549 -10.161 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.917 -4.727 -11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.216 -3.939 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.844 -5.280 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.708 -2.716 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.791 -2.690 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.854 -4.826 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.803 -4.788 -12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.950 -3.864 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.784 -2.555 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.951 -2.059 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.600 -1.781 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.555 -3.165 -10.735 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.622 -5.578 -9.192 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.330 -6.771 -8.718 1.00 0.00 C ATOM 1150 C ILE A 73 -4.058 -7.411 -9.917 1.00 0.00 C ATOM 1151 O ILE A 73 -4.248 -8.623 -9.952 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.316 -6.446 -7.587 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.078 -5.158 -7.906 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.593 -6.303 -6.242 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.479 -5.146 -7.319 1.00 0.00 C ATOM 0 H ILE A 73 -2.894 -4.696 -8.758 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.606 -7.471 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.021 -7.274 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.519 -4.305 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.140 -5.036 -8.987 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.318 -6.073 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.085 -7.237 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.861 -5.498 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.973 -4.209 -7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.050 -5.981 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.420 -5.239 -6.235 1.00 0.00 H new ATOM 1167 N SER A 74 -4.421 -6.596 -10.916 1.00 0.00 N ATOM 1168 CA SER A 74 -5.045 -7.006 -12.164 1.00 0.00 C ATOM 1169 C SER A 74 -4.059 -6.753 -13.315 1.00 0.00 C ATOM 1170 O SER A 74 -4.474 -6.461 -14.432 1.00 0.00 O ATOM 1171 CB SER A 74 -6.336 -6.207 -12.363 1.00 0.00 C ATOM 1172 OG SER A 74 -7.185 -6.370 -11.242 1.00 0.00 O ATOM 0 H SER A 74 -4.277 -5.587 -10.866 1.00 0.00 H new ATOM 0 HA SER A 74 -5.294 -8.067 -12.141 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.102 -5.151 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.845 -6.542 -13.267 1.00 0.00 H new ATOM 0 HG SER A 74 -8.007 -5.854 -11.377 1.00 0.00 H new ATOM 1178 N GLN A 75 -2.750 -6.854 -13.046 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.681 -6.638 -14.019 1.00 0.00 C ATOM 1180 C GLN A 75 -1.988 -7.304 -15.366 1.00 0.00 C ATOM 1181 O GLN A 75 -1.115 -7.404 -16.225 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.305 -7.067 -13.458 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.064 -8.585 -13.364 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.262 -9.413 -12.893 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -1.821 -10.191 -13.652 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -1.696 -9.258 -11.654 1.00 0.00 N ATOM 0 H GLN A 75 -2.400 -7.095 -12.119 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.629 -5.566 -14.206 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.474 -6.633 -14.085 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.189 -6.637 -12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.244 -8.948 -14.345 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.768 -8.762 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.224 -8.607 -11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.502 -9.790 -11.326 1.00 0.00 H new TER 1195 GLN A 75