USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= -0.0608 USER MOD Set 1.2: A 54 SER OG : rot 11:sc= 0.501 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 41 ASN : amide:sc= -2.47 K(o=-2.5,f=-7.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -85:sc= -0.0528 USER MOD Single : A 12 GLN : amide:sc= -0.0659 K(o=-0.066,f=-1.7!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.449 F(o=-1.5!,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.37) USER MOD Single : A 31 GLN : amide:sc= -0.719 K(o=-0.72,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0334 (180deg=-0.306) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.571 USER MOD Single : A 49 GLN : amide:sc= -0.0878 X(o=-0.088,f=0.4) USER MOD Single : A 55 CYS SG : rot 35:sc= 0.655 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0.185 (180deg=0.152) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.567 -24.198 -14.309 1.00 0.00 N ATOM 2 CA GLY A 1 30.121 -24.154 -12.928 1.00 0.00 C ATOM 3 C GLY A 1 29.076 -25.208 -12.623 1.00 0.00 C ATOM 4 O GLY A 1 27.951 -24.885 -12.242 1.00 0.00 O ATOM 0 H1 GLY A 1 31.281 -23.458 -14.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.984 -25.130 -14.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.757 -24.038 -14.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.977 -24.294 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.711 -23.167 -12.713 1.00 0.00 H new ATOM 8 N SER A 2 29.447 -26.474 -12.792 1.00 0.00 N ATOM 9 CA SER A 2 28.531 -27.579 -12.537 1.00 0.00 C ATOM 10 C SER A 2 28.582 -28.000 -11.071 1.00 0.00 C ATOM 11 O SER A 2 29.601 -27.835 -10.402 1.00 0.00 O ATOM 12 CB SER A 2 28.875 -28.771 -13.433 1.00 0.00 C ATOM 13 OG SER A 2 27.731 -29.569 -13.681 1.00 0.00 O ATOM 0 H SER A 2 30.375 -26.759 -13.104 1.00 0.00 H new ATOM 0 HA SER A 2 27.520 -27.241 -12.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.285 -28.414 -14.378 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.648 -29.375 -12.959 1.00 0.00 H new ATOM 0 HG SER A 2 27.977 -30.323 -14.257 1.00 0.00 H new ATOM 19 N SER A 3 27.473 -28.544 -10.580 1.00 0.00 N ATOM 20 CA SER A 3 27.388 -28.985 -9.192 1.00 0.00 C ATOM 21 C SER A 3 28.476 -30.008 -8.880 1.00 0.00 C ATOM 22 O SER A 3 28.726 -30.923 -9.664 1.00 0.00 O ATOM 23 CB SER A 3 26.010 -29.585 -8.909 1.00 0.00 C ATOM 24 OG SER A 3 24.979 -28.662 -9.214 1.00 0.00 O ATOM 0 H SER A 3 26.621 -28.690 -11.122 1.00 0.00 H new ATOM 0 HA SER A 3 27.536 -28.116 -8.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.877 -30.492 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.944 -29.875 -7.860 1.00 0.00 H new ATOM 0 HG SER A 3 24.108 -29.070 -9.026 1.00 0.00 H new ATOM 30 N GLY A 4 29.119 -29.846 -7.728 1.00 0.00 N ATOM 31 CA GLY A 4 30.173 -30.762 -7.332 1.00 0.00 C ATOM 32 C GLY A 4 29.733 -31.711 -6.235 1.00 0.00 C ATOM 33 O GLY A 4 28.539 -31.850 -5.966 1.00 0.00 O ATOM 0 H GLY A 4 28.929 -29.097 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.495 -31.338 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.037 -30.192 -6.990 1.00 0.00 H new ATOM 37 N SER A 5 30.698 -32.368 -5.600 1.00 0.00 N ATOM 38 CA SER A 5 30.404 -33.314 -4.529 1.00 0.00 C ATOM 39 C SER A 5 30.074 -32.581 -3.233 1.00 0.00 C ATOM 40 O SER A 5 29.343 -33.094 -2.386 1.00 0.00 O ATOM 41 CB SER A 5 31.591 -34.253 -4.309 1.00 0.00 C ATOM 42 OG SER A 5 32.814 -33.536 -4.299 1.00 0.00 O ATOM 0 H SER A 5 31.691 -32.263 -5.808 1.00 0.00 H new ATOM 0 HA SER A 5 29.535 -33.902 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.469 -34.783 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.614 -35.006 -5.097 1.00 0.00 H new ATOM 0 HG SER A 5 33.557 -34.159 -4.155 1.00 0.00 H new ATOM 48 N SER A 6 30.618 -31.377 -3.085 1.00 0.00 N ATOM 49 CA SER A 6 30.385 -30.574 -1.891 1.00 0.00 C ATOM 50 C SER A 6 30.484 -29.085 -2.210 1.00 0.00 C ATOM 51 O SER A 6 31.198 -28.681 -3.126 1.00 0.00 O ATOM 52 CB SER A 6 31.393 -30.941 -0.800 1.00 0.00 C ATOM 53 OG SER A 6 31.058 -30.325 0.432 1.00 0.00 O ATOM 0 H SER A 6 31.223 -30.936 -3.778 1.00 0.00 H new ATOM 0 HA SER A 6 29.378 -30.785 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.419 -32.023 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.393 -30.631 -1.105 1.00 0.00 H new ATOM 0 HG SER A 6 31.716 -30.577 1.113 1.00 0.00 H new ATOM 59 N GLY A 7 29.759 -28.274 -1.445 1.00 0.00 N ATOM 60 CA GLY A 7 29.777 -26.839 -1.661 1.00 0.00 C ATOM 61 C GLY A 7 29.598 -26.470 -3.121 1.00 0.00 C ATOM 62 O GLY A 7 28.966 -27.203 -3.880 1.00 0.00 O ATOM 0 H GLY A 7 29.160 -28.585 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.985 -26.376 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.721 -26.432 -1.300 1.00 0.00 H new ATOM 66 N MET A 8 30.153 -25.328 -3.513 1.00 0.00 N ATOM 67 CA MET A 8 30.050 -24.863 -4.892 1.00 0.00 C ATOM 68 C MET A 8 28.595 -24.827 -5.346 1.00 0.00 C ATOM 69 O MET A 8 28.278 -25.203 -6.474 1.00 0.00 O ATOM 70 CB MET A 8 30.865 -25.766 -5.819 1.00 0.00 C ATOM 71 CG MET A 8 32.360 -25.496 -5.772 1.00 0.00 C ATOM 72 SD MET A 8 32.805 -23.922 -6.531 1.00 0.00 S ATOM 73 CE MET A 8 33.951 -24.469 -7.795 1.00 0.00 C ATOM 0 H MET A 8 30.678 -24.708 -2.896 1.00 0.00 H new ATOM 0 HA MET A 8 30.451 -23.851 -4.939 1.00 0.00 H new ATOM 0 HB2 MET A 8 30.684 -26.807 -5.550 1.00 0.00 H new ATOM 0 HB3 MET A 8 30.513 -25.635 -6.842 1.00 0.00 H new ATOM 0 HG2 MET A 8 32.694 -25.502 -4.734 1.00 0.00 H new ATOM 0 HG3 MET A 8 32.887 -26.303 -6.281 1.00 0.00 H new ATOM 0 HE1 MET A 8 34.316 -23.607 -8.353 1.00 0.00 H new ATOM 0 HE2 MET A 8 34.792 -24.981 -7.327 1.00 0.00 H new ATOM 0 HE3 MET A 8 33.443 -25.153 -8.475 1.00 0.00 H new ATOM 83 N ALA A 9 27.714 -24.373 -4.461 1.00 0.00 N ATOM 84 CA ALA A 9 26.292 -24.288 -4.772 1.00 0.00 C ATOM 85 C ALA A 9 25.736 -25.648 -5.177 1.00 0.00 C ATOM 86 O ALA A 9 24.908 -25.747 -6.083 1.00 0.00 O ATOM 87 CB ALA A 9 26.055 -23.268 -5.877 1.00 0.00 C ATOM 0 H ALA A 9 27.960 -24.058 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 9 25.767 -23.964 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 9 24.989 -23.214 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 9 26.407 -22.290 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 9 26.598 -23.569 -6.773 1.00 0.00 H new ATOM 93 N SER A 10 26.196 -26.696 -4.500 1.00 0.00 N ATOM 94 CA SER A 10 25.748 -28.052 -4.793 1.00 0.00 C ATOM 95 C SER A 10 24.377 -28.316 -4.177 1.00 0.00 C ATOM 96 O SER A 10 23.471 -28.815 -4.842 1.00 0.00 O ATOM 97 CB SER A 10 26.760 -29.072 -4.268 1.00 0.00 C ATOM 98 OG SER A 10 26.859 -29.012 -2.855 1.00 0.00 O ATOM 0 H SER A 10 26.879 -26.631 -3.745 1.00 0.00 H new ATOM 0 HA SER A 10 25.668 -28.155 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.461 -30.075 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 10 27.737 -28.882 -4.713 1.00 0.00 H new ATOM 0 HG SER A 10 27.494 -28.310 -2.601 1.00 0.00 H new ATOM 104 N GLY A 11 24.234 -27.976 -2.899 1.00 0.00 N ATOM 105 CA GLY A 11 22.972 -28.183 -2.213 1.00 0.00 C ATOM 106 C GLY A 11 22.013 -27.025 -2.402 1.00 0.00 C ATOM 107 O GLY A 11 22.212 -26.183 -3.277 1.00 0.00 O ATOM 0 H GLY A 11 24.970 -27.561 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.508 -29.098 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.160 -28.325 -1.149 1.00 0.00 H new ATOM 111 N GLN A 12 20.969 -26.983 -1.581 1.00 0.00 N ATOM 112 CA GLN A 12 19.974 -25.921 -1.664 1.00 0.00 C ATOM 113 C GLN A 12 20.248 -24.835 -0.628 1.00 0.00 C ATOM 114 O GLN A 12 20.087 -25.054 0.573 1.00 0.00 O ATOM 115 CB GLN A 12 18.569 -26.492 -1.462 1.00 0.00 C ATOM 116 CG GLN A 12 17.948 -27.044 -2.734 1.00 0.00 C ATOM 117 CD GLN A 12 18.426 -28.446 -3.056 1.00 0.00 C ATOM 118 OE1 GLN A 12 18.891 -29.173 -2.177 1.00 0.00 O ATOM 119 NE2 GLN A 12 18.313 -28.835 -4.321 1.00 0.00 N ATOM 0 H GLN A 12 20.790 -27.672 -0.851 1.00 0.00 H new ATOM 0 HA GLN A 12 20.038 -25.475 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.612 -27.285 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.923 -25.711 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.863 -27.049 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.187 -26.383 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.922 -28.200 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.617 -29.769 -4.597 1.00 0.00 H new ATOM 128 N PHE A 13 20.665 -23.665 -1.100 1.00 0.00 N ATOM 129 CA PHE A 13 20.963 -22.546 -0.215 1.00 0.00 C ATOM 130 C PHE A 13 20.188 -21.300 -0.633 1.00 0.00 C ATOM 131 O PHE A 13 19.694 -21.210 -1.757 1.00 0.00 O ATOM 132 CB PHE A 13 22.465 -22.251 -0.218 1.00 0.00 C ATOM 133 CG PHE A 13 23.226 -23.007 0.833 1.00 0.00 C ATOM 134 CD1 PHE A 13 22.910 -22.863 2.174 1.00 0.00 C ATOM 135 CD2 PHE A 13 24.258 -23.861 0.480 1.00 0.00 C ATOM 136 CE1 PHE A 13 23.610 -23.556 3.144 1.00 0.00 C ATOM 137 CE2 PHE A 13 24.961 -24.558 1.445 1.00 0.00 C ATOM 138 CZ PHE A 13 24.636 -24.406 2.779 1.00 0.00 C ATOM 0 H PHE A 13 20.804 -23.467 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 13 20.656 -22.822 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 13 22.873 -22.497 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 13 22.618 -21.182 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 13 22.107 -22.202 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 13 24.516 -23.984 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 13 23.355 -23.433 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 13 25.763 -25.221 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 13 25.183 -24.950 3.535 1.00 0.00 H new ATOM 148 N VAL A 14 20.085 -20.340 0.281 1.00 0.00 N ATOM 149 CA VAL A 14 19.371 -19.098 0.008 1.00 0.00 C ATOM 150 C VAL A 14 20.295 -17.893 0.139 1.00 0.00 C ATOM 151 O VAL A 14 21.143 -17.841 1.029 1.00 0.00 O ATOM 152 CB VAL A 14 18.174 -18.919 0.960 1.00 0.00 C ATOM 153 CG1 VAL A 14 18.649 -18.505 2.344 1.00 0.00 C ATOM 154 CG2 VAL A 14 17.194 -17.900 0.397 1.00 0.00 C ATOM 0 H VAL A 14 20.487 -20.399 1.217 1.00 0.00 H new ATOM 0 HA VAL A 14 19.005 -19.161 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 14 17.658 -19.875 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.789 -18.383 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.309 -19.273 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.190 -17.561 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 14 16.354 -17.786 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.697 -16.940 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.828 -18.243 -0.571 1.00 0.00 H new ATOM 164 N ASN A 15 20.125 -16.924 -0.755 1.00 0.00 N ATOM 165 CA ASN A 15 20.944 -15.717 -0.740 1.00 0.00 C ATOM 166 C ASN A 15 20.303 -14.635 0.124 1.00 0.00 C ATOM 167 O ASN A 15 20.996 -13.858 0.780 1.00 0.00 O ATOM 168 CB ASN A 15 21.146 -15.195 -2.164 1.00 0.00 C ATOM 169 CG ASN A 15 21.451 -13.710 -2.198 1.00 0.00 C ATOM 170 OD1 ASN A 15 20.416 -12.890 -2.054 1.00 0.00 O flip ATOM 171 ND2 ASN A 15 22.603 -13.305 -2.351 1.00 0.00 N flip ATOM 0 H ASN A 15 19.428 -16.951 -1.499 1.00 0.00 H new ATOM 0 HA ASN A 15 21.914 -15.971 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.962 -15.742 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 15 20.249 -15.392 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 15 23.368 -13.971 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 15 22.793 -12.303 -2.371 1.00 0.00 H new ATOM 178 N LYS A 16 18.975 -14.592 0.120 1.00 0.00 N ATOM 179 CA LYS A 16 18.239 -13.608 0.904 1.00 0.00 C ATOM 180 C LYS A 16 17.691 -14.231 2.184 1.00 0.00 C ATOM 181 O LYS A 16 17.019 -15.263 2.145 1.00 0.00 O ATOM 182 CB LYS A 16 17.092 -13.021 0.078 1.00 0.00 C ATOM 183 CG LYS A 16 16.649 -11.645 0.543 1.00 0.00 C ATOM 184 CD LYS A 16 17.685 -10.584 0.212 1.00 0.00 C ATOM 185 CE LYS A 16 17.575 -10.130 -1.235 1.00 0.00 C ATOM 186 NZ LYS A 16 18.232 -8.812 -1.455 1.00 0.00 N ATOM 0 H LYS A 16 18.386 -15.228 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 16 18.928 -12.809 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.401 -12.960 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.241 -13.701 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.701 -11.388 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.475 -11.662 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.555 -9.728 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.684 -10.980 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.032 -10.876 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.524 -10.063 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.135 -8.538 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.780 -8.094 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.241 -8.882 -1.212 1.00 0.00 H new ATOM 200 N LEU A 17 17.981 -13.599 3.315 1.00 0.00 N ATOM 201 CA LEU A 17 17.516 -14.091 4.608 1.00 0.00 C ATOM 202 C LEU A 17 16.194 -13.436 4.996 1.00 0.00 C ATOM 203 O LEU A 17 15.535 -13.861 5.944 1.00 0.00 O ATOM 204 CB LEU A 17 18.567 -13.824 5.686 1.00 0.00 C ATOM 205 CG LEU A 17 18.263 -14.389 7.074 1.00 0.00 C ATOM 206 CD1 LEU A 17 18.667 -15.853 7.155 1.00 0.00 C ATOM 207 CD2 LEU A 17 18.974 -13.578 8.147 1.00 0.00 C ATOM 0 H LEU A 17 18.536 -12.745 3.364 1.00 0.00 H new ATOM 0 HA LEU A 17 17.357 -15.166 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.518 -14.236 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.701 -12.746 5.776 1.00 0.00 H new ATOM 0 HG LEU A 17 17.189 -14.320 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.443 -16.238 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.112 -16.425 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.736 -15.947 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.746 -13.994 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.050 -13.615 7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.636 -12.543 8.105 1.00 0.00 H new ATOM 219 N GLN A 18 15.813 -12.400 4.255 1.00 0.00 N ATOM 220 CA GLN A 18 14.569 -11.688 4.522 1.00 0.00 C ATOM 221 C GLN A 18 13.627 -11.769 3.325 1.00 0.00 C ATOM 222 O GLN A 18 14.001 -12.267 2.263 1.00 0.00 O ATOM 223 CB GLN A 18 14.857 -10.224 4.860 1.00 0.00 C ATOM 224 CG GLN A 18 15.329 -9.406 3.669 1.00 0.00 C ATOM 225 CD GLN A 18 16.160 -8.206 4.077 1.00 0.00 C ATOM 226 OE1 GLN A 18 17.060 -8.314 4.911 1.00 0.00 O ATOM 227 NE2 GLN A 18 15.863 -7.052 3.491 1.00 0.00 N ATOM 0 H GLN A 18 16.347 -12.036 3.466 1.00 0.00 H new ATOM 0 HA GLN A 18 14.085 -12.163 5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.954 -9.769 5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.615 -10.183 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.917 -10.042 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.463 -9.067 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.109 -7.007 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.389 -6.210 3.727 1.00 0.00 H new ATOM 236 N GLU A 19 12.405 -11.278 3.505 1.00 0.00 N ATOM 237 CA GLU A 19 11.410 -11.297 2.439 1.00 0.00 C ATOM 238 C GLU A 19 11.076 -9.880 1.981 1.00 0.00 C ATOM 239 O GLU A 19 11.021 -8.954 2.789 1.00 0.00 O ATOM 240 CB GLU A 19 10.139 -12.006 2.910 1.00 0.00 C ATOM 241 CG GLU A 19 9.005 -11.958 1.900 1.00 0.00 C ATOM 242 CD GLU A 19 7.673 -12.366 2.498 1.00 0.00 C ATOM 243 OE1 GLU A 19 7.025 -11.515 3.142 1.00 0.00 O ATOM 244 OE2 GLU A 19 7.279 -13.538 2.322 1.00 0.00 O ATOM 0 H GLU A 19 12.080 -10.863 4.378 1.00 0.00 H new ATOM 0 HA GLU A 19 11.830 -11.843 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.374 -13.047 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.804 -11.551 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.924 -10.948 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.240 -12.616 1.064 1.00 0.00 H new ATOM 251 N GLU A 20 10.855 -9.721 0.680 1.00 0.00 N ATOM 252 CA GLU A 20 10.527 -8.418 0.115 1.00 0.00 C ATOM 253 C GLU A 20 9.052 -8.346 -0.269 1.00 0.00 C ATOM 254 O GLU A 20 8.466 -9.334 -0.713 1.00 0.00 O ATOM 255 CB GLU A 20 11.399 -8.134 -1.110 1.00 0.00 C ATOM 256 CG GLU A 20 12.888 -8.133 -0.810 1.00 0.00 C ATOM 257 CD GLU A 20 13.731 -7.854 -2.040 1.00 0.00 C ATOM 258 OE1 GLU A 20 13.703 -8.677 -2.978 1.00 0.00 O ATOM 259 OE2 GLU A 20 14.418 -6.811 -2.063 1.00 0.00 O ATOM 0 H GLU A 20 10.897 -10.478 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 20 10.723 -7.662 0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.192 -8.883 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.120 -7.166 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.101 -7.381 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.171 -9.099 -0.391 1.00 0.00 H new ATOM 266 N VAL A 21 8.457 -7.170 -0.095 1.00 0.00 N ATOM 267 CA VAL A 21 7.051 -6.968 -0.423 1.00 0.00 C ATOM 268 C VAL A 21 6.826 -5.600 -1.057 1.00 0.00 C ATOM 269 O VAL A 21 7.528 -4.637 -0.746 1.00 0.00 O ATOM 270 CB VAL A 21 6.159 -7.096 0.825 1.00 0.00 C ATOM 271 CG1 VAL A 21 4.702 -6.841 0.470 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.329 -8.467 1.463 1.00 0.00 C ATOM 0 H VAL A 21 8.927 -6.342 0.271 1.00 0.00 H new ATOM 0 HA VAL A 21 6.778 -7.746 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 21 6.468 -6.342 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.087 -6.936 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.597 -5.835 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.376 -7.569 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.691 -8.540 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.048 -9.239 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.370 -8.605 1.756 1.00 0.00 H new ATOM 282 N ILE A 22 5.843 -5.521 -1.948 1.00 0.00 N ATOM 283 CA ILE A 22 5.524 -4.270 -2.624 1.00 0.00 C ATOM 284 C ILE A 22 4.054 -3.908 -2.446 1.00 0.00 C ATOM 285 O ILE A 22 3.200 -4.784 -2.304 1.00 0.00 O ATOM 286 CB ILE A 22 5.843 -4.347 -4.129 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.342 -4.565 -4.345 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.379 -3.081 -4.834 1.00 0.00 C ATOM 289 CD1 ILE A 22 8.191 -3.388 -3.916 1.00 0.00 C ATOM 0 H ILE A 22 5.254 -6.309 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 22 6.144 -3.498 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 22 5.307 -5.195 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.656 -5.450 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.523 -4.768 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.611 -3.150 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.303 -2.966 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.890 -2.218 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.242 -3.612 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.904 -2.505 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.039 -3.198 -2.854 1.00 0.00 H new ATOM 301 N CYS A 23 3.764 -2.611 -2.455 1.00 0.00 N ATOM 302 CA CYS A 23 2.397 -2.131 -2.295 1.00 0.00 C ATOM 303 C CYS A 23 1.606 -2.302 -3.589 1.00 0.00 C ATOM 304 O CYS A 23 1.949 -1.748 -4.633 1.00 0.00 O ATOM 305 CB CYS A 23 2.397 -0.660 -1.875 1.00 0.00 C ATOM 306 SG CYS A 23 0.816 -0.088 -1.172 1.00 0.00 S ATOM 0 H CYS A 23 4.459 -1.873 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 23 1.918 -2.724 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.187 -0.503 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.641 -0.046 -2.742 1.00 0.00 H new ATOM 311 N PRO A 24 0.521 -3.087 -3.519 1.00 0.00 N ATOM 312 CA PRO A 24 -0.342 -3.349 -4.675 1.00 0.00 C ATOM 313 C PRO A 24 -1.139 -2.118 -5.094 1.00 0.00 C ATOM 314 O PRO A 24 -1.902 -2.160 -6.060 1.00 0.00 O ATOM 315 CB PRO A 24 -1.282 -4.449 -4.174 1.00 0.00 C ATOM 316 CG PRO A 24 -1.313 -4.276 -2.695 1.00 0.00 C ATOM 317 CD PRO A 24 0.052 -3.779 -2.307 1.00 0.00 C ATOM 0 HA PRO A 24 0.233 -3.630 -5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.278 -4.346 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.916 -5.438 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.085 -3.565 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.541 -5.218 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.006 -3.105 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.715 -4.599 -2.031 1.00 0.00 H new ATOM 325 N ILE A 25 -0.957 -1.024 -4.363 1.00 0.00 N ATOM 326 CA ILE A 25 -1.658 0.219 -4.660 1.00 0.00 C ATOM 327 C ILE A 25 -0.778 1.167 -5.468 1.00 0.00 C ATOM 328 O ILE A 25 -1.115 1.538 -6.593 1.00 0.00 O ATOM 329 CB ILE A 25 -2.113 0.931 -3.373 1.00 0.00 C ATOM 330 CG1 ILE A 25 -3.044 0.025 -2.564 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.804 2.244 -3.710 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.199 0.452 -1.121 1.00 0.00 C ATOM 0 H ILE A 25 -0.330 -0.973 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.537 -0.048 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.234 1.150 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.026 0.011 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.661 -0.995 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.120 2.736 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.112 2.892 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.676 2.047 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.872 -0.235 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.225 0.439 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.611 1.460 -1.082 1.00 0.00 H new ATOM 344 N CYS A 26 0.354 1.553 -4.888 1.00 0.00 N ATOM 345 CA CYS A 26 1.285 2.457 -5.554 1.00 0.00 C ATOM 346 C CYS A 26 2.350 1.675 -6.317 1.00 0.00 C ATOM 347 O CYS A 26 3.077 2.234 -7.138 1.00 0.00 O ATOM 348 CB CYS A 26 1.949 3.382 -4.532 1.00 0.00 C ATOM 349 SG CYS A 26 2.537 2.532 -3.032 1.00 0.00 S ATOM 0 H CYS A 26 0.649 1.254 -3.958 1.00 0.00 H new ATOM 0 HA CYS A 26 0.722 3.059 -6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.792 3.884 -5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.238 4.156 -4.243 1.00 0.00 H new ATOM 354 N LEU A 27 2.437 0.379 -6.039 1.00 0.00 N ATOM 355 CA LEU A 27 3.413 -0.482 -6.699 1.00 0.00 C ATOM 356 C LEU A 27 4.835 -0.024 -6.395 1.00 0.00 C ATOM 357 O LEU A 27 5.685 0.029 -7.285 1.00 0.00 O ATOM 358 CB LEU A 27 3.178 -0.486 -8.210 1.00 0.00 C ATOM 359 CG LEU A 27 1.952 -1.259 -8.697 1.00 0.00 C ATOM 360 CD1 LEU A 27 0.673 -0.587 -8.219 1.00 0.00 C ATOM 361 CD2 LEU A 27 1.961 -1.374 -10.214 1.00 0.00 C ATOM 0 H LEU A 27 1.844 -0.099 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 27 3.287 -1.494 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.088 0.547 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.061 -0.903 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 27 1.990 -2.264 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.189 -1.151 -8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.663 -0.558 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.628 0.430 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.081 -1.927 -10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.948 -0.377 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.860 -1.900 -10.534 1.00 0.00 H new ATOM 373 N ASP A 28 5.089 0.304 -5.133 1.00 0.00 N ATOM 374 CA ASP A 28 6.410 0.755 -4.710 1.00 0.00 C ATOM 375 C ASP A 28 6.793 0.133 -3.371 1.00 0.00 C ATOM 376 O ASP A 28 5.967 -0.495 -2.708 1.00 0.00 O ATOM 377 CB ASP A 28 6.443 2.280 -4.607 1.00 0.00 C ATOM 378 CG ASP A 28 5.532 2.807 -3.517 1.00 0.00 C ATOM 379 OD1 ASP A 28 5.330 2.090 -2.514 1.00 0.00 O ATOM 380 OD2 ASP A 28 5.020 3.936 -3.665 1.00 0.00 O ATOM 0 H ASP A 28 4.397 0.266 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 28 7.134 0.434 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.465 2.606 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.148 2.712 -5.563 1.00 0.00 H new ATOM 385 N ILE A 29 8.050 0.312 -2.979 1.00 0.00 N ATOM 386 CA ILE A 29 8.542 -0.231 -1.719 1.00 0.00 C ATOM 387 C ILE A 29 7.883 0.458 -0.529 1.00 0.00 C ATOM 388 O ILE A 29 7.879 1.686 -0.433 1.00 0.00 O ATOM 389 CB ILE A 29 10.071 -0.084 -1.602 1.00 0.00 C ATOM 390 CG1 ILE A 29 10.767 -0.854 -2.726 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.547 -0.574 -0.242 1.00 0.00 C ATOM 392 CD1 ILE A 29 11.132 0.009 -3.913 1.00 0.00 C ATOM 0 H ILE A 29 8.746 0.829 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 29 8.285 -1.290 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 29 10.329 0.971 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.672 -1.317 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.115 -1.661 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.629 -0.464 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.072 0.014 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.281 -1.624 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.622 -0.603 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.229 0.452 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.809 0.801 -3.593 1.00 0.00 H new ATOM 404 N LEU A 30 7.329 -0.339 0.377 1.00 0.00 N ATOM 405 CA LEU A 30 6.668 0.193 1.563 1.00 0.00 C ATOM 406 C LEU A 30 7.644 0.292 2.732 1.00 0.00 C ATOM 407 O LEU A 30 7.993 -0.715 3.347 1.00 0.00 O ATOM 408 CB LEU A 30 5.480 -0.690 1.949 1.00 0.00 C ATOM 409 CG LEU A 30 5.619 -2.179 1.630 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.768 -3.010 2.578 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.232 -2.453 0.184 1.00 0.00 C ATOM 0 H LEU A 30 7.324 -1.357 0.313 1.00 0.00 H new ATOM 0 HA LEU A 30 6.307 1.194 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.306 -0.583 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.592 -0.312 1.443 1.00 0.00 H new ATOM 0 HG LEU A 30 6.662 -2.464 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.880 -4.067 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.092 -2.837 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.722 -2.723 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.337 -3.518 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.197 -2.151 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.884 -1.887 -0.481 1.00 0.00 H new ATOM 423 N GLN A 31 8.077 1.512 3.032 1.00 0.00 N ATOM 424 CA GLN A 31 9.011 1.742 4.128 1.00 0.00 C ATOM 425 C GLN A 31 8.660 0.876 5.333 1.00 0.00 C ATOM 426 O GLN A 31 9.475 0.079 5.797 1.00 0.00 O ATOM 427 CB GLN A 31 9.008 3.219 4.527 1.00 0.00 C ATOM 428 CG GLN A 31 10.330 3.695 5.107 1.00 0.00 C ATOM 429 CD GLN A 31 11.511 3.362 4.216 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.360 3.179 3.008 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.696 3.282 4.809 1.00 0.00 N ATOM 0 H GLN A 31 7.796 2.356 2.532 1.00 0.00 H new ATOM 0 HA GLN A 31 10.009 1.468 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.766 3.823 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.218 3.388 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.288 4.773 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.478 3.239 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.775 3.441 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.527 3.061 4.260 1.00 0.00 H new ATOM 440 N LYS A 32 7.441 1.039 5.837 1.00 0.00 N ATOM 441 CA LYS A 32 6.980 0.272 6.988 1.00 0.00 C ATOM 442 C LYS A 32 5.922 -0.747 6.575 1.00 0.00 C ATOM 443 O LYS A 32 4.756 -0.416 6.363 1.00 0.00 O ATOM 444 CB LYS A 32 6.410 1.209 8.056 1.00 0.00 C ATOM 445 CG LYS A 32 7.387 2.281 8.508 1.00 0.00 C ATOM 446 CD LYS A 32 6.869 3.031 9.723 1.00 0.00 C ATOM 447 CE LYS A 32 6.930 2.172 10.977 1.00 0.00 C ATOM 448 NZ LYS A 32 8.333 1.868 11.373 1.00 0.00 N ATOM 0 H LYS A 32 6.754 1.696 5.466 1.00 0.00 H new ATOM 0 HA LYS A 32 7.834 -0.264 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.512 1.688 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.106 0.619 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.347 1.823 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.561 2.983 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.458 3.936 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.841 3.346 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.425 2.687 11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.391 1.240 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.354 1.556 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.710 1.113 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.917 2.722 11.266 1.00 0.00 H new ATOM 462 N PRO A 33 6.337 -2.017 6.459 1.00 0.00 N ATOM 463 CA PRO A 33 5.441 -3.111 6.073 1.00 0.00 C ATOM 464 C PRO A 33 4.424 -3.439 7.161 1.00 0.00 C ATOM 465 O PRO A 33 4.755 -4.077 8.161 1.00 0.00 O ATOM 466 CB PRO A 33 6.392 -4.290 5.856 1.00 0.00 C ATOM 467 CG PRO A 33 7.577 -3.982 6.705 1.00 0.00 C ATOM 468 CD PRO A 33 7.714 -2.484 6.697 1.00 0.00 C ATOM 0 HA PRO A 33 4.846 -2.859 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.928 -5.232 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.671 -4.386 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.438 -4.356 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.474 -4.458 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.107 -2.111 7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.394 -2.147 5.914 1.00 0.00 H new ATOM 476 N VAL A 34 3.186 -2.999 6.961 1.00 0.00 N ATOM 477 CA VAL A 34 2.121 -3.248 7.925 1.00 0.00 C ATOM 478 C VAL A 34 1.224 -4.393 7.469 1.00 0.00 C ATOM 479 O VAL A 34 0.369 -4.220 6.600 1.00 0.00 O ATOM 480 CB VAL A 34 1.258 -1.991 8.144 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.134 -2.280 9.127 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.117 -0.833 8.629 1.00 0.00 C ATOM 0 H VAL A 34 2.896 -2.468 6.140 1.00 0.00 H new ATOM 0 HA VAL A 34 2.602 -3.519 8.865 1.00 0.00 H new ATOM 0 HB VAL A 34 0.811 -1.708 7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.465 -1.381 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.497 -3.078 8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.557 -2.589 10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.491 0.047 8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.594 -1.103 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.883 -0.611 7.885 1.00 0.00 H new ATOM 492 N THR A 35 1.424 -5.566 8.063 1.00 0.00 N ATOM 493 CA THR A 35 0.634 -6.742 7.718 1.00 0.00 C ATOM 494 C THR A 35 -0.766 -6.658 8.315 1.00 0.00 C ATOM 495 O THR A 35 -0.937 -6.730 9.532 1.00 0.00 O ATOM 496 CB THR A 35 1.311 -8.036 8.207 1.00 0.00 C ATOM 497 OG1 THR A 35 2.687 -8.050 7.808 1.00 0.00 O ATOM 498 CG2 THR A 35 0.604 -9.261 7.648 1.00 0.00 C ATOM 0 H THR A 35 2.126 -5.727 8.785 1.00 0.00 H new ATOM 0 HA THR A 35 0.562 -6.767 6.631 1.00 0.00 H new ATOM 0 HB THR A 35 1.248 -8.064 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.111 -8.875 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.100 -10.163 8.007 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.435 -9.263 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.640 -9.236 6.559 1.00 0.00 H new ATOM 506 N ILE A 36 -1.764 -6.505 7.451 1.00 0.00 N ATOM 507 CA ILE A 36 -3.149 -6.413 7.894 1.00 0.00 C ATOM 508 C ILE A 36 -3.736 -7.796 8.157 1.00 0.00 C ATOM 509 O ILE A 36 -3.245 -8.798 7.637 1.00 0.00 O ATOM 510 CB ILE A 36 -4.025 -5.685 6.857 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.431 -5.842 5.456 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.162 -4.214 7.218 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.347 -5.360 4.353 1.00 0.00 C ATOM 0 H ILE A 36 -1.639 -6.442 6.441 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.146 -5.840 8.821 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.018 -6.134 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.492 -5.290 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.193 -6.892 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.784 -3.714 6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.625 -4.122 8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.176 -3.751 7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.860 -5.502 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.277 -5.928 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.565 -4.302 4.497 1.00 0.00 H new ATOM 525 N ASP A 37 -4.789 -7.842 8.966 1.00 0.00 N ATOM 526 CA ASP A 37 -5.444 -9.102 9.295 1.00 0.00 C ATOM 527 C ASP A 37 -5.842 -9.855 8.030 1.00 0.00 C ATOM 528 O ASP A 37 -6.157 -11.045 8.075 1.00 0.00 O ATOM 529 CB ASP A 37 -6.679 -8.848 10.162 1.00 0.00 C ATOM 530 CG ASP A 37 -7.051 -10.050 11.006 1.00 0.00 C ATOM 531 OD1 ASP A 37 -6.134 -10.779 11.439 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.260 -10.262 11.236 1.00 0.00 O ATOM 0 H ASP A 37 -5.207 -7.022 9.406 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.737 -9.715 9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.493 -7.994 10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.520 -8.583 9.522 1.00 0.00 H new ATOM 537 N CYS A 38 -5.827 -9.154 6.901 1.00 0.00 N ATOM 538 CA CYS A 38 -6.188 -9.755 5.622 1.00 0.00 C ATOM 539 C CYS A 38 -5.121 -10.746 5.167 1.00 0.00 C ATOM 540 O CYS A 38 -5.409 -11.693 4.436 1.00 0.00 O ATOM 541 CB CYS A 38 -6.377 -8.670 4.561 1.00 0.00 C ATOM 542 SG CYS A 38 -4.860 -8.255 3.643 1.00 0.00 S ATOM 0 H CYS A 38 -5.569 -8.169 6.846 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.127 -10.293 5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.139 -8.998 3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.756 -7.768 5.042 1.00 0.00 H new ATOM 547 N GLY A 39 -3.886 -10.521 5.605 1.00 0.00 N ATOM 548 CA GLY A 39 -2.794 -11.402 5.233 1.00 0.00 C ATOM 549 C GLY A 39 -1.680 -10.672 4.511 1.00 0.00 C ATOM 550 O GLY A 39 -0.507 -10.810 4.862 1.00 0.00 O ATOM 0 H GLY A 39 -3.622 -9.744 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.393 -11.876 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.176 -12.199 4.594 1.00 0.00 H new ATOM 554 N HIS A 40 -2.044 -9.893 3.498 1.00 0.00 N ATOM 555 CA HIS A 40 -1.066 -9.138 2.723 1.00 0.00 C ATOM 556 C HIS A 40 -0.619 -7.890 3.479 1.00 0.00 C ATOM 557 O HIS A 40 -1.122 -7.597 4.562 1.00 0.00 O ATOM 558 CB HIS A 40 -1.651 -8.745 1.366 1.00 0.00 C ATOM 559 CG HIS A 40 -2.384 -9.859 0.685 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.760 -9.921 0.613 1.00 0.00 N ATOM 561 CD2 HIS A 40 -1.925 -10.957 0.041 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.115 -11.010 -0.045 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.021 -11.656 -0.403 1.00 0.00 N ATOM 0 H HIS A 40 -3.010 -9.768 3.194 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.196 -9.775 2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.331 -7.904 1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.845 -8.402 0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.890 -11.232 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.128 -11.319 -0.254 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.994 -12.532 -0.925 1.00 0.00 H new ATOM 571 N ASN A 41 0.328 -7.161 2.900 1.00 0.00 N ATOM 572 CA ASN A 41 0.843 -5.945 3.520 1.00 0.00 C ATOM 573 C ASN A 41 0.691 -4.750 2.583 1.00 0.00 C ATOM 574 O ASN A 41 0.459 -4.913 1.385 1.00 0.00 O ATOM 575 CB ASN A 41 2.314 -6.125 3.900 1.00 0.00 C ATOM 576 CG ASN A 41 2.605 -7.512 4.442 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.735 -8.157 5.026 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.834 -7.976 4.249 1.00 0.00 N ATOM 0 H ASN A 41 0.755 -7.390 2.002 1.00 0.00 H new ATOM 0 HA ASN A 41 0.262 -5.753 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.938 -5.941 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.587 -5.381 4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.089 -8.903 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.523 -7.406 3.759 1.00 0.00 H new ATOM 585 N PHE A 42 0.825 -3.550 3.138 1.00 0.00 N ATOM 586 CA PHE A 42 0.703 -2.327 2.353 1.00 0.00 C ATOM 587 C PHE A 42 1.617 -1.236 2.900 1.00 0.00 C ATOM 588 O PHE A 42 2.176 -1.366 3.990 1.00 0.00 O ATOM 589 CB PHE A 42 -0.748 -1.840 2.351 1.00 0.00 C ATOM 590 CG PHE A 42 -1.676 -2.721 1.565 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.002 -3.988 2.021 1.00 0.00 C ATOM 592 CD2 PHE A 42 -2.222 -2.282 0.369 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.855 -4.801 1.299 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.076 -3.091 -0.357 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.393 -4.351 0.109 1.00 0.00 C ATOM 0 H PHE A 42 1.018 -3.398 4.128 1.00 0.00 H new ATOM 0 HA PHE A 42 1.006 -2.550 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.103 -1.778 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.783 -0.831 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.585 -4.344 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.977 -1.297 0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.101 -5.787 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.495 -2.738 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.061 -4.984 -0.456 1.00 0.00 H new ATOM 605 N CYS A 43 1.767 -0.159 2.136 1.00 0.00 N ATOM 606 CA CYS A 43 2.614 0.956 2.542 1.00 0.00 C ATOM 607 C CYS A 43 1.821 1.973 3.358 1.00 0.00 C ATOM 608 O CYS A 43 0.687 2.313 3.015 1.00 0.00 O ATOM 609 CB CYS A 43 3.222 1.635 1.313 1.00 0.00 C ATOM 610 SG CYS A 43 2.223 3.006 0.650 1.00 0.00 S ATOM 0 H CYS A 43 1.312 -0.035 1.231 1.00 0.00 H new ATOM 0 HA CYS A 43 3.416 0.562 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.211 2.013 1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.360 0.889 0.530 1.00 0.00 H new ATOM 615 N LEU A 44 2.424 2.455 4.438 1.00 0.00 N ATOM 616 CA LEU A 44 1.775 3.434 5.304 1.00 0.00 C ATOM 617 C LEU A 44 1.185 4.578 4.486 1.00 0.00 C ATOM 618 O LEU A 44 0.043 4.986 4.702 1.00 0.00 O ATOM 619 CB LEU A 44 2.774 3.984 6.324 1.00 0.00 C ATOM 620 CG LEU A 44 2.190 4.418 7.668 1.00 0.00 C ATOM 621 CD1 LEU A 44 1.301 5.640 7.495 1.00 0.00 C ATOM 622 CD2 LEU A 44 1.412 3.276 8.306 1.00 0.00 C ATOM 0 H LEU A 44 3.361 2.184 4.736 1.00 0.00 H new ATOM 0 HA LEU A 44 0.964 2.933 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.531 3.222 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.284 4.839 5.879 1.00 0.00 H new ATOM 0 HG LEU A 44 3.014 4.685 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.894 5.934 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.888 6.461 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.483 5.402 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.004 3.603 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.597 2.978 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.077 2.428 8.467 1.00 0.00 H new ATOM 634 N LYS A 45 1.969 5.091 3.544 1.00 0.00 N ATOM 635 CA LYS A 45 1.524 6.186 2.690 1.00 0.00 C ATOM 636 C LYS A 45 0.167 5.873 2.066 1.00 0.00 C ATOM 637 O LYS A 45 -0.601 6.778 1.740 1.00 0.00 O ATOM 638 CB LYS A 45 2.553 6.452 1.589 1.00 0.00 C ATOM 639 CG LYS A 45 1.988 7.203 0.396 1.00 0.00 C ATOM 640 CD LYS A 45 3.046 8.064 -0.273 1.00 0.00 C ATOM 641 CE LYS A 45 3.849 7.271 -1.292 1.00 0.00 C ATOM 642 NZ LYS A 45 4.407 8.144 -2.361 1.00 0.00 N ATOM 0 H LYS A 45 2.917 4.766 3.352 1.00 0.00 H new ATOM 0 HA LYS A 45 1.423 7.078 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.381 7.023 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.962 5.501 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.587 6.492 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.158 7.831 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.569 8.912 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.717 8.471 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.663 6.750 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.213 6.508 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.947 7.565 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.630 8.622 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.034 8.856 -1.936 1.00 0.00 H new ATOM 656 N CYS A 46 -0.122 4.586 1.905 1.00 0.00 N ATOM 657 CA CYS A 46 -1.386 4.153 1.322 1.00 0.00 C ATOM 658 C CYS A 46 -2.411 3.848 2.410 1.00 0.00 C ATOM 659 O CYS A 46 -3.512 4.399 2.412 1.00 0.00 O ATOM 660 CB CYS A 46 -1.171 2.916 0.447 1.00 0.00 C ATOM 661 SG CYS A 46 -0.828 3.292 -1.302 1.00 0.00 S ATOM 0 H CYS A 46 0.503 3.824 2.170 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.769 4.965 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.341 2.337 0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.058 2.285 0.505 1.00 0.00 H new ATOM 666 N ILE A 47 -2.040 2.967 3.334 1.00 0.00 N ATOM 667 CA ILE A 47 -2.926 2.590 4.428 1.00 0.00 C ATOM 668 C ILE A 47 -3.571 3.819 5.062 1.00 0.00 C ATOM 669 O ILE A 47 -4.671 3.743 5.611 1.00 0.00 O ATOM 670 CB ILE A 47 -2.174 1.801 5.516 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.616 0.499 4.938 1.00 0.00 C ATOM 672 CG2 ILE A 47 -3.093 1.513 6.693 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.676 -0.225 5.876 1.00 0.00 C ATOM 0 H ILE A 47 -1.132 2.502 3.346 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.702 1.955 4.000 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.340 2.406 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.445 -0.162 4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.091 0.719 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.547 0.955 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.447 2.453 7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.945 0.925 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.320 -1.139 5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.173 0.418 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.203 -0.477 6.796 1.00 0.00 H new ATOM 685 N THR A 48 -2.880 4.951 4.980 1.00 0.00 N ATOM 686 CA THR A 48 -3.385 6.197 5.544 1.00 0.00 C ATOM 687 C THR A 48 -4.280 6.928 4.550 1.00 0.00 C ATOM 688 O THR A 48 -5.488 7.040 4.756 1.00 0.00 O ATOM 689 CB THR A 48 -2.234 7.131 5.964 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.519 6.562 7.067 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.763 8.503 6.349 1.00 0.00 C ATOM 0 H THR A 48 -1.969 5.031 4.528 1.00 0.00 H new ATOM 0 HA THR A 48 -3.968 5.931 6.426 1.00 0.00 H new ATOM 0 HB THR A 48 -1.560 7.245 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.895 7.225 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.932 9.144 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.280 8.945 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.457 8.404 7.184 1.00 0.00 H new ATOM 699 N GLN A 49 -3.679 7.422 3.472 1.00 0.00 N ATOM 700 CA GLN A 49 -4.424 8.142 2.446 1.00 0.00 C ATOM 701 C GLN A 49 -5.788 7.501 2.212 1.00 0.00 C ATOM 702 O GLN A 49 -6.800 8.194 2.108 1.00 0.00 O ATOM 703 CB GLN A 49 -3.631 8.175 1.138 1.00 0.00 C ATOM 704 CG GLN A 49 -3.732 6.888 0.334 1.00 0.00 C ATOM 705 CD GLN A 49 -2.885 6.919 -0.923 1.00 0.00 C ATOM 706 OE1 GLN A 49 -1.698 7.243 -0.879 1.00 0.00 O ATOM 707 NE2 GLN A 49 -3.492 6.580 -2.054 1.00 0.00 N ATOM 0 H GLN A 49 -2.680 7.337 3.287 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.578 9.163 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.987 9.004 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.583 8.372 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.421 6.049 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.773 6.714 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.478 6.318 -2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.973 6.581 -2.932 1.00 0.00 H new ATOM 716 N ILE A 50 -5.806 6.175 2.130 1.00 0.00 N ATOM 717 CA ILE A 50 -7.046 5.441 1.909 1.00 0.00 C ATOM 718 C ILE A 50 -8.095 5.806 2.954 1.00 0.00 C ATOM 719 O ILE A 50 -9.148 6.351 2.627 1.00 0.00 O ATOM 720 CB ILE A 50 -6.812 3.919 1.942 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.798 3.513 0.871 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.126 3.177 1.744 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.081 2.217 1.178 1.00 0.00 C ATOM 0 H ILE A 50 -4.977 5.587 2.213 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.408 5.724 0.921 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.408 3.649 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.311 3.417 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.061 4.309 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.945 2.103 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.820 3.447 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.556 3.449 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.378 1.991 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.539 2.315 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.808 1.409 1.260 1.00 0.00 H new ATOM 735 N GLY A 51 -7.798 5.503 4.214 1.00 0.00 N ATOM 736 CA GLY A 51 -8.724 5.809 5.288 1.00 0.00 C ATOM 737 C GLY A 51 -8.363 7.086 6.020 1.00 0.00 C ATOM 738 O GLY A 51 -8.413 7.140 7.248 1.00 0.00 O ATOM 0 H GLY A 51 -6.933 5.051 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.731 5.900 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.741 4.980 5.996 1.00 0.00 H new ATOM 742 N GLU A 52 -7.998 8.116 5.263 1.00 0.00 N ATOM 743 CA GLU A 52 -7.625 9.399 5.848 1.00 0.00 C ATOM 744 C GLU A 52 -8.798 10.374 5.816 1.00 0.00 C ATOM 745 O GLU A 52 -8.911 11.257 6.667 1.00 0.00 O ATOM 746 CB GLU A 52 -6.430 9.997 5.102 1.00 0.00 C ATOM 747 CG GLU A 52 -6.791 10.589 3.750 1.00 0.00 C ATOM 748 CD GLU A 52 -7.414 11.966 3.864 1.00 0.00 C ATOM 749 OE1 GLU A 52 -7.139 12.660 4.865 1.00 0.00 O ATOM 750 OE2 GLU A 52 -8.176 12.351 2.952 1.00 0.00 O ATOM 0 H GLU A 52 -7.953 8.087 4.244 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.346 9.227 6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.978 10.773 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.676 9.223 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.894 10.650 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.485 9.922 3.239 1.00 0.00 H new ATOM 757 N THR A 53 -9.672 10.207 4.828 1.00 0.00 N ATOM 758 CA THR A 53 -10.836 11.072 4.682 1.00 0.00 C ATOM 759 C THR A 53 -12.054 10.475 5.377 1.00 0.00 C ATOM 760 O THR A 53 -12.563 11.034 6.348 1.00 0.00 O ATOM 761 CB THR A 53 -11.172 11.316 3.199 1.00 0.00 C ATOM 762 OG1 THR A 53 -12.592 11.371 3.022 1.00 0.00 O ATOM 763 CG2 THR A 53 -10.589 10.217 2.324 1.00 0.00 C ATOM 0 H THR A 53 -9.595 9.480 4.117 1.00 0.00 H new ATOM 0 HA THR A 53 -10.584 12.024 5.150 1.00 0.00 H new ATOM 0 HB THR A 53 -10.732 12.267 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.798 11.528 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.839 10.411 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.505 10.197 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.004 9.255 2.624 1.00 0.00 H new ATOM 771 N SER A 54 -12.518 9.336 4.873 1.00 0.00 N ATOM 772 CA SER A 54 -13.680 8.664 5.443 1.00 0.00 C ATOM 773 C SER A 54 -13.632 7.165 5.165 1.00 0.00 C ATOM 774 O SER A 54 -13.740 6.732 4.017 1.00 0.00 O ATOM 775 CB SER A 54 -14.969 9.259 4.875 1.00 0.00 C ATOM 776 OG SER A 54 -15.231 10.535 5.432 1.00 0.00 O ATOM 0 H SER A 54 -12.107 8.859 4.071 1.00 0.00 H new ATOM 0 HA SER A 54 -13.663 8.816 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.888 9.342 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.804 8.590 5.082 1.00 0.00 H new ATOM 0 HG SER A 54 -14.444 10.843 5.929 1.00 0.00 H new ATOM 782 N CYS A 55 -13.468 6.378 6.222 1.00 0.00 N ATOM 783 CA CYS A 55 -13.405 4.926 6.093 1.00 0.00 C ATOM 784 C CYS A 55 -13.622 4.250 7.443 1.00 0.00 C ATOM 785 O CYS A 55 -13.470 4.874 8.493 1.00 0.00 O ATOM 786 CB CYS A 55 -12.056 4.504 5.508 1.00 0.00 C ATOM 787 SG CYS A 55 -12.003 4.502 3.701 1.00 0.00 S ATOM 0 H CYS A 55 -13.376 6.721 7.178 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.200 4.611 5.418 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.284 5.176 5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.812 3.505 5.869 1.00 0.00 H new ATOM 0 HG CYS A 55 -12.742 5.469 3.244 1.00 0.00 H new ATOM 793 N GLY A 56 -13.981 2.970 7.407 1.00 0.00 N ATOM 794 CA GLY A 56 -14.215 2.231 8.634 1.00 0.00 C ATOM 795 C GLY A 56 -13.303 1.028 8.769 1.00 0.00 C ATOM 796 O GLY A 56 -12.672 0.832 9.808 1.00 0.00 O ATOM 0 H GLY A 56 -14.114 2.432 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.067 2.893 9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.253 1.901 8.663 1.00 0.00 H new ATOM 800 N PHE A 57 -13.234 0.219 7.717 1.00 0.00 N ATOM 801 CA PHE A 57 -12.394 -0.973 7.724 1.00 0.00 C ATOM 802 C PHE A 57 -11.540 -1.044 6.461 1.00 0.00 C ATOM 803 O PHE A 57 -12.059 -1.024 5.345 1.00 0.00 O ATOM 804 CB PHE A 57 -13.258 -2.231 7.840 1.00 0.00 C ATOM 805 CG PHE A 57 -12.579 -3.361 8.558 1.00 0.00 C ATOM 806 CD1 PHE A 57 -12.116 -3.198 9.854 1.00 0.00 C ATOM 807 CD2 PHE A 57 -12.403 -4.588 7.937 1.00 0.00 C ATOM 808 CE1 PHE A 57 -11.490 -4.236 10.516 1.00 0.00 C ATOM 809 CE2 PHE A 57 -11.777 -5.630 8.595 1.00 0.00 C ATOM 810 CZ PHE A 57 -11.321 -5.454 9.887 1.00 0.00 C ATOM 0 H PHE A 57 -13.749 0.367 6.849 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.731 -0.915 8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.181 -1.981 8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.538 -2.563 6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.246 -2.249 10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.759 -4.731 6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.133 -4.095 11.525 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.645 -6.581 8.100 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.833 -6.267 10.404 1.00 0.00 H new ATOM 820 N PHE A 58 -10.227 -1.126 6.647 1.00 0.00 N ATOM 821 CA PHE A 58 -9.299 -1.198 5.524 1.00 0.00 C ATOM 822 C PHE A 58 -9.688 -2.323 4.569 1.00 0.00 C ATOM 823 O PHE A 58 -9.744 -3.491 4.956 1.00 0.00 O ATOM 824 CB PHE A 58 -7.871 -1.412 6.028 1.00 0.00 C ATOM 825 CG PHE A 58 -6.868 -1.599 4.925 1.00 0.00 C ATOM 826 CD1 PHE A 58 -6.863 -2.756 4.164 1.00 0.00 C ATOM 827 CD2 PHE A 58 -5.930 -0.617 4.651 1.00 0.00 C ATOM 828 CE1 PHE A 58 -5.941 -2.931 3.149 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.006 -0.785 3.637 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.011 -1.945 2.885 1.00 0.00 C ATOM 0 H PHE A 58 -9.781 -1.144 7.564 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.348 -0.253 4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.576 -0.556 6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.851 -2.286 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.588 -3.531 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.921 0.290 5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.948 -3.838 2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.281 -0.011 3.432 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.289 -2.080 2.093 1.00 0.00 H new ATOM 840 N LYS A 59 -9.955 -1.964 3.318 1.00 0.00 N ATOM 841 CA LYS A 59 -10.338 -2.941 2.306 1.00 0.00 C ATOM 842 C LYS A 59 -9.142 -3.324 1.440 1.00 0.00 C ATOM 843 O LYS A 59 -8.393 -2.461 0.980 1.00 0.00 O ATOM 844 CB LYS A 59 -11.459 -2.382 1.427 1.00 0.00 C ATOM 845 CG LYS A 59 -12.852 -2.692 1.948 1.00 0.00 C ATOM 846 CD LYS A 59 -13.858 -1.642 1.508 1.00 0.00 C ATOM 847 CE LYS A 59 -15.029 -1.553 2.474 1.00 0.00 C ATOM 848 NZ LYS A 59 -14.711 -0.704 3.656 1.00 0.00 N ATOM 0 H LYS A 59 -9.913 -1.002 2.980 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.696 -3.835 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.342 -1.301 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.358 -2.789 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.166 -3.672 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.831 -2.744 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.366 -0.672 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.225 -1.884 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.896 -1.144 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.300 -2.554 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.446 -0.829 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.788 -0.983 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.677 0.294 3.367 1.00 0.00 H new ATOM 862 N CYS A 60 -8.968 -4.623 1.220 1.00 0.00 N ATOM 863 CA CYS A 60 -7.864 -5.121 0.409 1.00 0.00 C ATOM 864 C CYS A 60 -8.347 -5.514 -0.984 1.00 0.00 C ATOM 865 O CYS A 60 -9.288 -6.292 -1.145 1.00 0.00 O ATOM 866 CB CYS A 60 -7.204 -6.321 1.090 1.00 0.00 C ATOM 867 SG CYS A 60 -5.753 -6.975 0.203 1.00 0.00 S ATOM 0 H CYS A 60 -9.578 -5.350 1.593 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.130 -4.321 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.901 -6.033 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.942 -7.117 1.194 1.00 0.00 H new ATOM 872 N PRO A 61 -7.689 -4.965 -2.016 1.00 0.00 N ATOM 873 CA PRO A 61 -8.032 -5.245 -3.413 1.00 0.00 C ATOM 874 C PRO A 61 -7.682 -6.671 -3.822 1.00 0.00 C ATOM 875 O PRO A 61 -8.386 -7.289 -4.622 1.00 0.00 O ATOM 876 CB PRO A 61 -7.182 -4.240 -4.195 1.00 0.00 C ATOM 877 CG PRO A 61 -6.027 -3.945 -3.302 1.00 0.00 C ATOM 878 CD PRO A 61 -6.558 -4.030 -1.897 1.00 0.00 C ATOM 0 HA PRO A 61 -9.103 -5.152 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.851 -4.657 -5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.747 -3.336 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.220 -4.661 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.619 -2.955 -3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.803 -4.399 -1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.879 -3.056 -1.529 1.00 0.00 H new ATOM 886 N LEU A 62 -6.591 -7.189 -3.268 1.00 0.00 N ATOM 887 CA LEU A 62 -6.148 -8.545 -3.575 1.00 0.00 C ATOM 888 C LEU A 62 -7.102 -9.577 -2.984 1.00 0.00 C ATOM 889 O LEU A 62 -7.516 -10.517 -3.663 1.00 0.00 O ATOM 890 CB LEU A 62 -4.734 -8.774 -3.039 1.00 0.00 C ATOM 891 CG LEU A 62 -3.694 -7.716 -3.413 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.374 -7.993 -2.711 1.00 0.00 C ATOM 893 CD2 LEU A 62 -3.499 -7.672 -4.922 1.00 0.00 C ATOM 0 H LEU A 62 -5.997 -6.691 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.143 -8.662 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.785 -8.836 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.383 -9.742 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.059 -6.743 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.647 -7.230 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.525 -7.974 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.003 -8.974 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.756 -6.914 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.156 -8.645 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.445 -7.425 -5.404 1.00 0.00 H new ATOM 905 N CYS A 63 -7.449 -9.395 -1.714 1.00 0.00 N ATOM 906 CA CYS A 63 -8.356 -10.309 -1.030 1.00 0.00 C ATOM 907 C CYS A 63 -9.687 -10.409 -1.770 1.00 0.00 C ATOM 908 O CYS A 63 -10.262 -9.399 -2.174 1.00 0.00 O ATOM 909 CB CYS A 63 -8.593 -9.844 0.408 1.00 0.00 C ATOM 910 SG CYS A 63 -7.221 -10.217 1.546 1.00 0.00 S ATOM 0 H CYS A 63 -7.115 -8.622 -1.138 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.894 -11.296 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.767 -8.768 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.502 -10.313 0.785 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.154 2.241 -1.291 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.354 -8.931 1.446 1.00 0.00 ZN