USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=14 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 115:sc= 1.35 USER MOD Set 1.2: A 55 CYS SG : rot 101:sc= 0.627 USER MOD Set 2.1: A 35 THR OG1 : rot -21:sc= 0.224 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.217 X(o=0.44,f=0.13) 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 29:sc= 0.729 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.749 K(o=-0.75,f=-1.8!) USER MOD Single : A 15 ASN : amide:sc=-0.00102 K(o=-0.001,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0623) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0859) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.801! F(o=-2.2,f=-0.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.792 -22.302 0.287 1.00 0.00 N ATOM 2 CA GLY A 1 -10.599 -22.880 -0.302 1.00 0.00 C ATOM 3 C GLY A 1 -10.897 -24.127 -1.111 1.00 0.00 C ATOM 4 O GLY A 1 -11.541 -25.054 -0.621 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.535 -21.453 0.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.460 -22.043 -0.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.237 -22.996 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.120 -22.141 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.889 -23.124 0.488 1.00 0.00 H new ATOM 8 N SER A 2 -10.428 -24.150 -2.355 1.00 0.00 N ATOM 9 CA SER A 2 -10.653 -25.290 -3.236 1.00 0.00 C ATOM 10 C SER A 2 -9.549 -26.330 -3.070 1.00 0.00 C ATOM 11 O SER A 2 -9.821 -27.519 -2.903 1.00 0.00 O ATOM 12 CB SER A 2 -10.721 -24.830 -4.693 1.00 0.00 C ATOM 13 OG SER A 2 -11.953 -24.187 -4.968 1.00 0.00 O ATOM 0 H SER A 2 -9.890 -23.392 -2.775 1.00 0.00 H new ATOM 0 HA SER A 2 -11.604 -25.747 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.897 -24.148 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.599 -25.688 -5.354 1.00 0.00 H new ATOM 0 HG SER A 2 -11.971 -23.901 -5.905 1.00 0.00 H new ATOM 19 N SER A 3 -8.302 -25.873 -3.117 1.00 0.00 N ATOM 20 CA SER A 3 -7.156 -26.763 -2.976 1.00 0.00 C ATOM 21 C SER A 3 -5.968 -26.027 -2.364 1.00 0.00 C ATOM 22 O SER A 3 -5.476 -25.047 -2.922 1.00 0.00 O ATOM 23 CB SER A 3 -6.764 -27.344 -4.336 1.00 0.00 C ATOM 24 OG SER A 3 -6.228 -26.343 -5.183 1.00 0.00 O ATOM 0 H SER A 3 -8.060 -24.891 -3.252 1.00 0.00 H new ATOM 0 HA SER A 3 -7.440 -27.577 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.031 -28.139 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.637 -27.795 -4.808 1.00 0.00 H new ATOM 0 HG SER A 3 -5.802 -25.648 -4.639 1.00 0.00 H new ATOM 30 N GLY A 4 -5.512 -26.508 -1.211 1.00 0.00 N ATOM 31 CA GLY A 4 -4.386 -25.884 -0.541 1.00 0.00 C ATOM 32 C GLY A 4 -3.088 -26.633 -0.768 1.00 0.00 C ATOM 33 O GLY A 4 -3.004 -27.489 -1.649 1.00 0.00 O ATOM 0 H GLY A 4 -5.902 -27.318 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.278 -24.860 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.588 -25.830 0.529 1.00 0.00 H new ATOM 37 N SER A 5 -2.073 -26.310 0.026 1.00 0.00 N ATOM 38 CA SER A 5 -0.771 -26.955 -0.097 1.00 0.00 C ATOM 39 C SER A 5 -0.463 -27.797 1.138 1.00 0.00 C ATOM 40 O SER A 5 -0.733 -27.386 2.267 1.00 0.00 O ATOM 41 CB SER A 5 0.324 -25.906 -0.299 1.00 0.00 C ATOM 42 OG SER A 5 1.610 -26.463 -0.084 1.00 0.00 O ATOM 0 H SER A 5 -2.127 -25.605 0.762 1.00 0.00 H new ATOM 0 HA SER A 5 -0.799 -27.613 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.263 -25.502 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.165 -25.074 0.387 1.00 0.00 H new ATOM 0 HG SER A 5 2.292 -25.773 -0.221 1.00 0.00 H new ATOM 48 N SER A 6 0.104 -28.978 0.915 1.00 0.00 N ATOM 49 CA SER A 6 0.446 -29.881 2.008 1.00 0.00 C ATOM 50 C SER A 6 1.954 -30.100 2.080 1.00 0.00 C ATOM 51 O SER A 6 2.673 -29.872 1.108 1.00 0.00 O ATOM 52 CB SER A 6 -0.268 -31.222 1.833 1.00 0.00 C ATOM 53 OG SER A 6 -1.655 -31.100 2.098 1.00 0.00 O ATOM 0 H SER A 6 0.336 -29.332 -0.013 1.00 0.00 H new ATOM 0 HA SER A 6 0.118 -29.423 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.120 -31.587 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.170 -31.961 2.504 1.00 0.00 H new ATOM 0 HG SER A 6 -2.089 -31.970 1.978 1.00 0.00 H new ATOM 59 N GLY A 7 2.427 -30.546 3.240 1.00 0.00 N ATOM 60 CA GLY A 7 3.846 -30.789 3.419 1.00 0.00 C ATOM 61 C GLY A 7 4.319 -30.460 4.821 1.00 0.00 C ATOM 62 O GLY A 7 4.349 -29.295 5.216 1.00 0.00 O ATOM 0 H GLY A 7 1.852 -30.743 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.062 -31.835 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.407 -30.192 2.700 1.00 0.00 H new ATOM 66 N MET A 8 4.688 -31.490 5.576 1.00 0.00 N ATOM 67 CA MET A 8 5.161 -31.304 6.943 1.00 0.00 C ATOM 68 C MET A 8 6.607 -31.768 7.085 1.00 0.00 C ATOM 69 O MET A 8 7.012 -32.763 6.484 1.00 0.00 O ATOM 70 CB MET A 8 4.269 -32.069 7.922 1.00 0.00 C ATOM 71 CG MET A 8 4.225 -31.453 9.312 1.00 0.00 C ATOM 72 SD MET A 8 2.966 -30.172 9.464 1.00 0.00 S ATOM 73 CE MET A 8 3.916 -28.851 10.213 1.00 0.00 C ATOM 0 H MET A 8 4.669 -32.461 5.265 1.00 0.00 H new ATOM 0 HA MET A 8 5.115 -30.240 7.176 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.257 -32.113 7.521 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.626 -33.096 8.000 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.032 -32.235 10.046 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.201 -31.028 9.548 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.273 -27.985 10.371 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.314 -29.187 11.171 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.740 -28.576 9.554 1.00 0.00 H new ATOM 83 N ALA A 9 7.381 -31.041 7.884 1.00 0.00 N ATOM 84 CA ALA A 9 8.782 -31.380 8.107 1.00 0.00 C ATOM 85 C ALA A 9 9.167 -31.190 9.570 1.00 0.00 C ATOM 86 O ALA A 9 8.571 -30.378 10.278 1.00 0.00 O ATOM 87 CB ALA A 9 9.677 -30.539 7.209 1.00 0.00 C ATOM 0 H ALA A 9 7.062 -30.213 8.388 1.00 0.00 H new ATOM 0 HA ALA A 9 8.920 -32.432 7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.720 -30.802 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.427 -30.729 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.527 -29.483 7.432 1.00 0.00 H new ATOM 93 N SER A 10 10.166 -31.944 10.017 1.00 0.00 N ATOM 94 CA SER A 10 10.628 -31.861 11.397 1.00 0.00 C ATOM 95 C SER A 10 11.433 -30.585 11.626 1.00 0.00 C ATOM 96 O SER A 10 11.748 -29.860 10.683 1.00 0.00 O ATOM 97 CB SER A 10 11.478 -33.084 11.747 1.00 0.00 C ATOM 98 OG SER A 10 10.763 -34.285 11.518 1.00 0.00 O ATOM 0 H SER A 10 10.671 -32.619 9.443 1.00 0.00 H new ATOM 0 HA SER A 10 9.753 -31.838 12.046 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.389 -33.080 11.149 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.782 -33.032 12.792 1.00 0.00 H new ATOM 0 HG SER A 10 11.329 -35.051 11.748 1.00 0.00 H new ATOM 104 N GLY A 11 11.762 -30.318 12.886 1.00 0.00 N ATOM 105 CA GLY A 11 12.527 -29.130 13.217 1.00 0.00 C ATOM 106 C GLY A 11 11.887 -28.319 14.325 1.00 0.00 C ATOM 107 O GLY A 11 12.572 -27.852 15.235 1.00 0.00 O ATOM 0 H GLY A 11 11.512 -30.903 13.683 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.533 -29.422 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.629 -28.508 12.328 1.00 0.00 H new ATOM 111 N GLN A 12 10.571 -28.149 14.248 1.00 0.00 N ATOM 112 CA GLN A 12 9.840 -27.386 15.253 1.00 0.00 C ATOM 113 C GLN A 12 10.248 -25.916 15.223 1.00 0.00 C ATOM 114 O GLN A 12 10.433 -25.292 16.268 1.00 0.00 O ATOM 115 CB GLN A 12 10.086 -27.968 16.646 1.00 0.00 C ATOM 116 CG GLN A 12 9.007 -27.610 17.654 1.00 0.00 C ATOM 117 CD GLN A 12 7.608 -27.862 17.126 1.00 0.00 C ATOM 118 OE1 GLN A 12 7.395 -28.750 16.300 1.00 0.00 O ATOM 119 NE2 GLN A 12 6.645 -27.081 17.602 1.00 0.00 N ATOM 0 H GLN A 12 9.990 -28.529 13.501 1.00 0.00 H new ATOM 0 HA GLN A 12 8.777 -27.454 15.022 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.155 -29.053 16.570 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.048 -27.612 17.015 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.158 -28.191 18.564 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.104 -26.559 17.927 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.867 -26.357 18.286 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.684 -27.205 17.284 1.00 0.00 H new ATOM 128 N PHE A 13 10.387 -25.370 14.020 1.00 0.00 N ATOM 129 CA PHE A 13 10.775 -23.974 13.854 1.00 0.00 C ATOM 130 C PHE A 13 9.787 -23.239 12.953 1.00 0.00 C ATOM 131 O PHE A 13 8.954 -23.858 12.291 1.00 0.00 O ATOM 132 CB PHE A 13 12.185 -23.880 13.269 1.00 0.00 C ATOM 133 CG PHE A 13 13.267 -23.868 14.310 1.00 0.00 C ATOM 134 CD1 PHE A 13 13.333 -22.851 15.248 1.00 0.00 C ATOM 135 CD2 PHE A 13 14.218 -24.875 14.352 1.00 0.00 C ATOM 136 CE1 PHE A 13 14.328 -22.837 16.207 1.00 0.00 C ATOM 137 CE2 PHE A 13 15.216 -24.867 15.309 1.00 0.00 C ATOM 138 CZ PHE A 13 15.270 -23.847 16.238 1.00 0.00 C ATOM 0 H PHE A 13 10.237 -25.873 13.145 1.00 0.00 H new ATOM 0 HA PHE A 13 10.765 -23.501 14.836 1.00 0.00 H new ATOM 0 HB2 PHE A 13 12.348 -24.723 12.597 1.00 0.00 H new ATOM 0 HB3 PHE A 13 12.260 -22.974 12.668 1.00 0.00 H new ATOM 0 HD1 PHE A 13 12.598 -22.060 15.230 1.00 0.00 H new ATOM 0 HD2 PHE A 13 14.179 -25.676 13.628 1.00 0.00 H new ATOM 0 HE1 PHE A 13 14.369 -22.037 16.932 1.00 0.00 H new ATOM 0 HE2 PHE A 13 15.952 -25.657 15.330 1.00 0.00 H new ATOM 0 HZ PHE A 13 16.047 -23.839 16.988 1.00 0.00 H new ATOM 148 N VAL A 14 9.887 -21.913 12.932 1.00 0.00 N ATOM 149 CA VAL A 14 9.005 -21.092 12.112 1.00 0.00 C ATOM 150 C VAL A 14 9.078 -21.503 10.646 1.00 0.00 C ATOM 151 O VAL A 14 8.065 -21.529 9.947 1.00 0.00 O ATOM 152 CB VAL A 14 9.355 -19.598 12.234 1.00 0.00 C ATOM 153 CG1 VAL A 14 10.795 -19.350 11.809 1.00 0.00 C ATOM 154 CG2 VAL A 14 8.395 -18.757 11.406 1.00 0.00 C ATOM 0 H VAL A 14 10.571 -21.385 13.474 1.00 0.00 H new ATOM 0 HA VAL A 14 7.991 -21.250 12.480 1.00 0.00 H new ATOM 0 HB VAL A 14 9.253 -19.303 13.278 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.024 -18.288 11.902 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.467 -19.924 12.448 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.927 -19.660 10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.657 -17.703 11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.463 -19.052 10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.376 -18.912 11.761 1.00 0.00 H new ATOM 164 N ASN A 15 10.283 -21.823 10.186 1.00 0.00 N ATOM 165 CA ASN A 15 10.488 -22.233 8.801 1.00 0.00 C ATOM 166 C ASN A 15 9.961 -21.175 7.837 1.00 0.00 C ATOM 167 O ASN A 15 9.244 -21.487 6.886 1.00 0.00 O ATOM 168 CB ASN A 15 9.796 -23.571 8.536 1.00 0.00 C ATOM 169 CG ASN A 15 10.441 -24.716 9.293 1.00 0.00 C ATOM 170 OD1 ASN A 15 11.633 -24.678 9.600 1.00 0.00 O ATOM 171 ND2 ASN A 15 9.655 -25.742 9.597 1.00 0.00 N ATOM 0 H ASN A 15 11.132 -21.806 10.751 1.00 0.00 H new ATOM 0 HA ASN A 15 11.559 -22.347 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.746 -23.497 8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.822 -23.785 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.033 -26.541 10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.673 -25.731 9.323 1.00 0.00 H new ATOM 178 N LYS A 16 10.322 -19.921 8.089 1.00 0.00 N ATOM 179 CA LYS A 16 9.888 -18.815 7.243 1.00 0.00 C ATOM 180 C LYS A 16 11.067 -18.218 6.481 1.00 0.00 C ATOM 181 O LYS A 16 12.153 -18.045 7.035 1.00 0.00 O ATOM 182 CB LYS A 16 9.213 -17.733 8.089 1.00 0.00 C ATOM 183 CG LYS A 16 8.619 -16.602 7.268 1.00 0.00 C ATOM 184 CD LYS A 16 8.159 -15.454 8.152 1.00 0.00 C ATOM 185 CE LYS A 16 7.163 -14.560 7.430 1.00 0.00 C ATOM 186 NZ LYS A 16 5.820 -15.196 7.325 1.00 0.00 N ATOM 0 H LYS A 16 10.914 -19.645 8.872 1.00 0.00 H new ATOM 0 HA LYS A 16 9.170 -19.203 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.424 -18.190 8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.943 -17.321 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.360 -16.240 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.776 -16.976 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.702 -15.852 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.021 -14.864 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.075 -13.612 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.536 -14.333 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.121 -14.484 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.852 -15.961 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.548 -15.587 8.249 1.00 0.00 H new ATOM 200 N LEU A 17 10.845 -17.903 5.210 1.00 0.00 N ATOM 201 CA LEU A 17 11.889 -17.323 4.372 1.00 0.00 C ATOM 202 C LEU A 17 11.585 -15.862 4.056 1.00 0.00 C ATOM 203 O LEU A 17 10.431 -15.491 3.842 1.00 0.00 O ATOM 204 CB LEU A 17 12.029 -18.119 3.073 1.00 0.00 C ATOM 205 CG LEU A 17 13.259 -17.803 2.221 1.00 0.00 C ATOM 206 CD1 LEU A 17 13.727 -19.045 1.478 1.00 0.00 C ATOM 207 CD2 LEU A 17 12.956 -16.677 1.244 1.00 0.00 C ATOM 0 H LEU A 17 9.952 -18.039 4.737 1.00 0.00 H new ATOM 0 HA LEU A 17 12.829 -17.369 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.047 -19.180 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.139 -17.948 2.468 1.00 0.00 H new ATOM 0 HG LEU A 17 14.061 -17.477 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.603 -18.801 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.985 -19.823 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.929 -19.402 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.843 -16.466 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.138 -16.975 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.670 -15.782 1.797 1.00 0.00 H new ATOM 219 N GLN A 18 12.628 -15.039 4.028 1.00 0.00 N ATOM 220 CA GLN A 18 12.471 -13.618 3.737 1.00 0.00 C ATOM 221 C GLN A 18 11.756 -13.411 2.406 1.00 0.00 C ATOM 222 O GLN A 18 12.319 -13.667 1.342 1.00 0.00 O ATOM 223 CB GLN A 18 13.837 -12.929 3.709 1.00 0.00 C ATOM 224 CG GLN A 18 14.611 -13.059 5.011 1.00 0.00 C ATOM 225 CD GLN A 18 15.566 -11.904 5.239 1.00 0.00 C ATOM 226 OE1 GLN A 18 16.592 -11.790 4.568 1.00 0.00 O ATOM 227 NE2 GLN A 18 15.234 -11.039 6.190 1.00 0.00 N ATOM 0 H GLN A 18 13.590 -15.331 4.203 1.00 0.00 H new ATOM 0 HA GLN A 18 11.864 -13.175 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.431 -13.352 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.697 -11.872 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.909 -13.115 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.172 -13.994 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.374 -11.171 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.839 -10.242 6.388 1.00 0.00 H new ATOM 236 N GLU A 19 10.513 -12.947 2.474 1.00 0.00 N ATOM 237 CA GLU A 19 9.721 -12.706 1.273 1.00 0.00 C ATOM 238 C GLU A 19 9.519 -11.211 1.044 1.00 0.00 C ATOM 239 O GLU A 19 9.019 -10.502 1.917 1.00 0.00 O ATOM 240 CB GLU A 19 8.363 -13.404 1.383 1.00 0.00 C ATOM 241 CG GLU A 19 7.787 -13.828 0.042 1.00 0.00 C ATOM 242 CD GLU A 19 6.373 -14.364 0.158 1.00 0.00 C ATOM 243 OE1 GLU A 19 6.066 -15.010 1.182 1.00 0.00 O ATOM 244 OE2 GLU A 19 5.574 -14.137 -0.774 1.00 0.00 O ATOM 0 H GLU A 19 10.032 -12.730 3.347 1.00 0.00 H new ATOM 0 HA GLU A 19 10.265 -13.116 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.466 -14.283 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.658 -12.734 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.794 -12.976 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.427 -14.593 -0.399 1.00 0.00 H new ATOM 251 N GLU A 20 9.913 -10.741 -0.135 1.00 0.00 N ATOM 252 CA GLU A 20 9.777 -9.330 -0.478 1.00 0.00 C ATOM 253 C GLU A 20 8.308 -8.946 -0.629 1.00 0.00 C ATOM 254 O GLU A 20 7.528 -9.664 -1.255 1.00 0.00 O ATOM 255 CB GLU A 20 10.532 -9.022 -1.772 1.00 0.00 C ATOM 256 CG GLU A 20 12.037 -9.202 -1.657 1.00 0.00 C ATOM 257 CD GLU A 20 12.447 -10.661 -1.605 1.00 0.00 C ATOM 258 OE1 GLU A 20 11.713 -11.503 -2.164 1.00 0.00 O ATOM 259 OE2 GLU A 20 13.500 -10.961 -1.006 1.00 0.00 O ATOM 0 H GLU A 20 10.329 -11.316 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 20 10.207 -8.742 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.157 -9.669 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.319 -7.996 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.523 -8.722 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.392 -8.696 -0.759 1.00 0.00 H new ATOM 266 N VAL A 21 7.937 -7.808 -0.051 1.00 0.00 N ATOM 267 CA VAL A 21 6.563 -7.327 -0.121 1.00 0.00 C ATOM 268 C VAL A 21 6.486 -5.983 -0.838 1.00 0.00 C ATOM 269 O VAL A 21 7.260 -5.070 -0.550 1.00 0.00 O ATOM 270 CB VAL A 21 5.946 -7.183 1.283 1.00 0.00 C ATOM 271 CG1 VAL A 21 4.530 -6.635 1.190 1.00 0.00 C ATOM 272 CG2 VAL A 21 5.963 -8.519 2.011 1.00 0.00 C ATOM 0 H VAL A 21 8.570 -7.202 0.471 1.00 0.00 H new ATOM 0 HA VAL A 21 5.997 -8.069 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 21 6.547 -6.476 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.110 -6.540 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.549 -5.656 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.914 -7.315 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.524 -8.399 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.386 -9.250 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.991 -8.866 2.110 1.00 0.00 H new ATOM 282 N ILE A 22 5.548 -5.870 -1.772 1.00 0.00 N ATOM 283 CA ILE A 22 5.370 -4.637 -2.529 1.00 0.00 C ATOM 284 C ILE A 22 3.926 -4.152 -2.456 1.00 0.00 C ATOM 285 O ILE A 22 3.004 -4.941 -2.252 1.00 0.00 O ATOM 286 CB ILE A 22 5.764 -4.821 -4.006 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.216 -5.291 -4.115 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.563 -3.523 -4.774 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.591 -5.783 -5.495 1.00 0.00 C ATOM 0 H ILE A 22 4.900 -6.617 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 22 6.025 -3.892 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 22 5.121 -5.584 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.877 -4.469 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.385 -6.091 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.846 -3.669 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.515 -3.227 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.184 -2.741 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.634 -6.100 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.955 -6.626 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.455 -4.978 -6.218 1.00 0.00 H new ATOM 301 N CYS A 23 3.737 -2.847 -2.627 1.00 0.00 N ATOM 302 CA CYS A 23 2.406 -2.255 -2.582 1.00 0.00 C ATOM 303 C CYS A 23 1.734 -2.323 -3.951 1.00 0.00 C ATOM 304 O CYS A 23 2.196 -1.732 -4.927 1.00 0.00 O ATOM 305 CB CYS A 23 2.488 -0.800 -2.114 1.00 0.00 C ATOM 306 SG CYS A 23 0.926 -0.147 -1.441 1.00 0.00 S ATOM 0 H CYS A 23 4.490 -2.180 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 23 1.806 -2.825 -1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.262 -0.718 -1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.799 -0.177 -2.952 1.00 0.00 H new ATOM 311 N PRO A 24 0.617 -3.062 -4.025 1.00 0.00 N ATOM 312 CA PRO A 24 -0.143 -3.225 -5.268 1.00 0.00 C ATOM 313 C PRO A 24 -0.848 -1.940 -5.689 1.00 0.00 C ATOM 314 O PRO A 24 -1.521 -1.900 -6.719 1.00 0.00 O ATOM 315 CB PRO A 24 -1.168 -4.307 -4.917 1.00 0.00 C ATOM 316 CG PRO A 24 -1.331 -4.209 -3.440 1.00 0.00 C ATOM 317 CD PRO A 24 0.010 -3.795 -2.901 1.00 0.00 C ATOM 0 HA PRO A 24 0.501 -3.484 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.114 -4.138 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.817 -5.296 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.098 -3.480 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.643 -5.164 -3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.089 -3.165 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.611 -4.657 -2.612 1.00 0.00 H new ATOM 325 N ILE A 25 -0.688 -0.893 -4.887 1.00 0.00 N ATOM 326 CA ILE A 25 -1.308 0.393 -5.178 1.00 0.00 C ATOM 327 C ILE A 25 -0.332 1.326 -5.887 1.00 0.00 C ATOM 328 O ILE A 25 -0.554 1.721 -7.032 1.00 0.00 O ATOM 329 CB ILE A 25 -1.815 1.078 -3.895 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.721 0.129 -3.108 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.555 2.363 -4.237 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.033 0.612 -1.709 1.00 0.00 C ATOM 0 H ILE A 25 -0.134 -0.910 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.156 0.193 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.957 1.331 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.655 -0.005 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.244 -0.849 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.907 2.835 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.882 3.042 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.407 2.133 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.679 -0.110 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.106 0.719 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.539 1.576 -1.761 1.00 0.00 H new ATOM 344 N CYS A 26 0.751 1.673 -5.200 1.00 0.00 N ATOM 345 CA CYS A 26 1.763 2.559 -5.763 1.00 0.00 C ATOM 346 C CYS A 26 2.818 1.763 -6.526 1.00 0.00 C ATOM 347 O CYS A 26 3.554 2.313 -7.347 1.00 0.00 O ATOM 348 CB CYS A 26 2.429 3.376 -4.655 1.00 0.00 C ATOM 349 SG CYS A 26 2.861 2.408 -3.174 1.00 0.00 S ATOM 0 H CYS A 26 0.951 1.354 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 26 1.270 3.237 -6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.334 3.836 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.761 4.186 -4.364 1.00 0.00 H new ATOM 354 N LEU A 27 2.885 0.465 -6.251 1.00 0.00 N ATOM 355 CA LEU A 27 3.849 -0.408 -6.912 1.00 0.00 C ATOM 356 C LEU A 27 5.278 0.042 -6.624 1.00 0.00 C ATOM 357 O LEU A 27 6.099 0.155 -7.534 1.00 0.00 O ATOM 358 CB LEU A 27 3.602 -0.424 -8.421 1.00 0.00 C ATOM 359 CG LEU A 27 2.438 -1.292 -8.902 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.108 -0.646 -8.545 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.533 -1.529 -10.402 1.00 0.00 C ATOM 0 H LEU A 27 2.284 -0.006 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 27 3.718 -1.416 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.426 0.600 -8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.512 -0.766 -8.914 1.00 0.00 H new ATOM 0 HG LEU A 27 2.497 -2.257 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.291 -1.277 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.039 -0.529 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.039 0.332 -9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.697 -2.148 -10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.500 -0.573 -10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.470 -2.036 -10.632 1.00 0.00 H new ATOM 373 N ASP A 28 5.568 0.295 -5.353 1.00 0.00 N ATOM 374 CA ASP A 28 6.898 0.729 -4.944 1.00 0.00 C ATOM 375 C ASP A 28 7.335 0.016 -3.668 1.00 0.00 C ATOM 376 O ASP A 28 6.525 -0.619 -2.992 1.00 0.00 O ATOM 377 CB ASP A 28 6.920 2.244 -4.729 1.00 0.00 C ATOM 378 CG ASP A 28 6.540 2.633 -3.314 1.00 0.00 C ATOM 379 OD1 ASP A 28 5.847 1.838 -2.646 1.00 0.00 O ATOM 380 OD2 ASP A 28 6.936 3.733 -2.875 1.00 0.00 O ATOM 0 H ASP A 28 4.899 0.207 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 28 7.597 0.472 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.916 2.625 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.233 2.718 -5.430 1.00 0.00 H new ATOM 385 N ILE A 29 8.620 0.123 -3.346 1.00 0.00 N ATOM 386 CA ILE A 29 9.163 -0.512 -2.152 1.00 0.00 C ATOM 387 C ILE A 29 8.436 -0.038 -0.898 1.00 0.00 C ATOM 388 O ILE A 29 8.142 1.149 -0.749 1.00 0.00 O ATOM 389 CB ILE A 29 10.669 -0.225 -1.998 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.427 -0.678 -3.247 1.00 0.00 C ATOM 391 CG2 ILE A 29 11.215 -0.919 -0.759 1.00 0.00 C ATOM 392 CD1 ILE A 29 11.458 -2.180 -3.424 1.00 0.00 C ATOM 0 H ILE A 29 9.304 0.643 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 29 9.016 -1.585 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 29 10.810 0.850 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.966 -0.226 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.450 -0.305 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.280 -0.707 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.691 -0.553 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 29 11.066 -1.995 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.012 -2.428 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.946 -2.638 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.439 -2.558 -3.507 1.00 0.00 H new ATOM 404 N LEU A 30 8.150 -0.973 0.002 1.00 0.00 N ATOM 405 CA LEU A 30 7.459 -0.651 1.245 1.00 0.00 C ATOM 406 C LEU A 30 8.443 -0.172 2.307 1.00 0.00 C ATOM 407 O LEU A 30 9.165 -0.971 2.903 1.00 0.00 O ATOM 408 CB LEU A 30 6.694 -1.873 1.757 1.00 0.00 C ATOM 409 CG LEU A 30 5.228 -1.974 1.332 1.00 0.00 C ATOM 410 CD1 LEU A 30 5.092 -2.831 0.083 1.00 0.00 C ATOM 411 CD2 LEU A 30 4.383 -2.539 2.464 1.00 0.00 C ATOM 0 H LEU A 30 8.386 -1.959 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 30 6.753 0.154 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.212 -2.770 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.737 -1.873 2.846 1.00 0.00 H new ATOM 0 HG LEU A 30 4.866 -0.972 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.042 -2.891 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.665 -2.384 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.471 -3.833 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.343 -2.604 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.745 -3.533 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.455 -1.885 3.333 1.00 0.00 H new ATOM 423 N GLN A 31 8.464 1.137 2.539 1.00 0.00 N ATOM 424 CA GLN A 31 9.359 1.722 3.531 1.00 0.00 C ATOM 425 C GLN A 31 9.019 1.224 4.932 1.00 0.00 C ATOM 426 O GLN A 31 9.858 1.249 5.832 1.00 0.00 O ATOM 427 CB GLN A 31 9.276 3.249 3.486 1.00 0.00 C ATOM 428 CG GLN A 31 10.215 3.879 2.470 1.00 0.00 C ATOM 429 CD GLN A 31 10.630 5.286 2.853 1.00 0.00 C ATOM 430 OE1 GLN A 31 11.819 5.592 2.944 1.00 0.00 O ATOM 431 NE2 GLN A 31 9.649 6.151 3.079 1.00 0.00 N ATOM 0 H GLN A 31 7.872 1.812 2.054 1.00 0.00 H new ATOM 0 HA GLN A 31 10.377 1.413 3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.252 3.542 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.504 3.646 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.104 3.257 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.728 3.901 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.677 5.854 2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.867 7.113 3.340 1.00 0.00 H new ATOM 440 N LYS A 32 7.782 0.771 5.110 1.00 0.00 N ATOM 441 CA LYS A 32 7.330 0.266 6.401 1.00 0.00 C ATOM 442 C LYS A 32 6.137 -0.670 6.231 1.00 0.00 C ATOM 443 O LYS A 32 5.002 -0.238 6.033 1.00 0.00 O ATOM 444 CB LYS A 32 6.953 1.428 7.322 1.00 0.00 C ATOM 445 CG LYS A 32 6.028 2.443 6.674 1.00 0.00 C ATOM 446 CD LYS A 32 6.809 3.543 5.975 1.00 0.00 C ATOM 447 CE LYS A 32 5.884 4.604 5.399 1.00 0.00 C ATOM 448 NZ LYS A 32 5.629 5.704 6.370 1.00 0.00 N ATOM 0 H LYS A 32 7.075 0.743 4.376 1.00 0.00 H new ATOM 0 HA LYS A 32 8.149 -0.295 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.473 1.031 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.863 1.933 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.382 1.940 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.379 2.882 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.499 4.005 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.411 3.111 5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.325 5.016 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.938 4.145 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.892 6.334 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.312 5.302 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.504 6.245 6.519 1.00 0.00 H new ATOM 462 N PRO A 33 6.398 -1.983 6.311 1.00 0.00 N ATOM 463 CA PRO A 33 5.359 -3.007 6.172 1.00 0.00 C ATOM 464 C PRO A 33 4.400 -3.025 7.357 1.00 0.00 C ATOM 465 O PRO A 33 4.826 -3.024 8.513 1.00 0.00 O ATOM 466 CB PRO A 33 6.154 -4.313 6.106 1.00 0.00 C ATOM 467 CG PRO A 33 7.428 -4.017 6.819 1.00 0.00 C ATOM 468 CD PRO A 33 7.729 -2.569 6.545 1.00 0.00 C ATOM 0 HA PRO A 33 4.729 -2.832 5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.613 -5.130 6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.338 -4.613 5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.328 -4.199 7.889 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.234 -4.658 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.234 -2.097 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.379 -2.451 5.678 1.00 0.00 H new ATOM 476 N VAL A 34 3.104 -3.042 7.064 1.00 0.00 N ATOM 477 CA VAL A 34 2.084 -3.062 8.107 1.00 0.00 C ATOM 478 C VAL A 34 1.062 -4.164 7.854 1.00 0.00 C ATOM 479 O VAL A 34 0.172 -4.021 7.015 1.00 0.00 O ATOM 480 CB VAL A 34 1.353 -1.710 8.203 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.329 -1.736 9.328 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.350 -0.579 8.404 1.00 0.00 C ATOM 0 H VAL A 34 2.735 -3.042 6.113 1.00 0.00 H new ATOM 0 HA VAL A 34 2.597 -3.256 9.049 1.00 0.00 H new ATOM 0 HB VAL A 34 0.824 -1.535 7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.178 -0.772 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.403 -2.521 9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.833 -1.933 10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.816 0.369 8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.908 -0.746 9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.041 -0.549 7.561 1.00 0.00 H new ATOM 492 N THR A 35 1.194 -5.266 8.586 1.00 0.00 N ATOM 493 CA THR A 35 0.282 -6.394 8.441 1.00 0.00 C ATOM 494 C THR A 35 -1.131 -6.018 8.874 1.00 0.00 C ATOM 495 O THR A 35 -1.401 -5.850 10.064 1.00 0.00 O ATOM 496 CB THR A 35 0.753 -7.607 9.265 1.00 0.00 C ATOM 497 OG1 THR A 35 2.141 -7.857 9.019 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.060 -8.845 8.919 1.00 0.00 C ATOM 0 H THR A 35 1.924 -5.401 9.285 1.00 0.00 H new ATOM 0 HA THR A 35 0.276 -6.662 7.384 1.00 0.00 H new ATOM 0 HB THR A 35 0.607 -7.380 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.401 -7.448 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.291 -9.689 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.112 -8.661 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.058 -9.074 7.860 1.00 0.00 H new ATOM 506 N ILE A 36 -2.027 -5.887 7.902 1.00 0.00 N ATOM 507 CA ILE A 36 -3.413 -5.533 8.184 1.00 0.00 C ATOM 508 C ILE A 36 -4.234 -6.767 8.542 1.00 0.00 C ATOM 509 O ILE A 36 -3.853 -7.893 8.221 1.00 0.00 O ATOM 510 CB ILE A 36 -4.068 -4.824 6.984 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.404 -5.266 5.678 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.977 -3.314 7.146 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.118 -4.772 4.440 1.00 0.00 C ATOM 0 H ILE A 36 -1.818 -6.021 6.913 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.398 -4.851 9.034 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.121 -5.103 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.375 -4.905 5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.360 -6.355 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.444 -2.827 6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.491 -3.014 8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.930 -3.017 7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.592 -5.123 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.139 -5.154 4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.139 -3.682 4.442 1.00 0.00 H new ATOM 525 N ASP A 37 -5.363 -6.547 9.206 1.00 0.00 N ATOM 526 CA ASP A 37 -6.241 -7.640 9.605 1.00 0.00 C ATOM 527 C ASP A 37 -6.602 -8.512 8.407 1.00 0.00 C ATOM 528 O ASP A 37 -7.056 -9.646 8.564 1.00 0.00 O ATOM 529 CB ASP A 37 -7.513 -7.091 10.254 1.00 0.00 C ATOM 530 CG ASP A 37 -8.605 -8.137 10.362 1.00 0.00 C ATOM 531 OD1 ASP A 37 -9.378 -8.289 9.393 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.688 -8.803 11.416 1.00 0.00 O ATOM 0 H ASP A 37 -5.692 -5.621 9.479 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.708 -8.254 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.276 -6.713 11.249 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.879 -6.246 9.671 1.00 0.00 H new ATOM 537 N CYS A 38 -6.400 -7.975 7.208 1.00 0.00 N ATOM 538 CA CYS A 38 -6.705 -8.702 5.982 1.00 0.00 C ATOM 539 C CYS A 38 -5.685 -9.811 5.739 1.00 0.00 C ATOM 540 O CYS A 38 -5.993 -10.827 5.118 1.00 0.00 O ATOM 541 CB CYS A 38 -6.729 -7.745 4.789 1.00 0.00 C ATOM 542 SG CYS A 38 -5.115 -7.538 3.970 1.00 0.00 S ATOM 0 H CYS A 38 -6.026 -7.038 7.060 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.689 -9.156 6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.451 -8.110 4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.081 -6.770 5.126 1.00 0.00 H new ATOM 547 N GLY A 39 -4.468 -9.606 6.234 1.00 0.00 N ATOM 548 CA GLY A 39 -3.421 -10.596 6.060 1.00 0.00 C ATOM 549 C GLY A 39 -2.239 -10.059 5.277 1.00 0.00 C ATOM 550 O GLY A 39 -1.091 -10.198 5.699 1.00 0.00 O ATOM 0 H GLY A 39 -4.189 -8.773 6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.081 -10.936 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.829 -11.465 5.545 1.00 0.00 H new ATOM 554 N HIS A 40 -2.520 -9.445 4.132 1.00 0.00 N ATOM 555 CA HIS A 40 -1.471 -8.886 3.287 1.00 0.00 C ATOM 556 C HIS A 40 -0.893 -7.617 3.906 1.00 0.00 C ATOM 557 O HIS A 40 -1.428 -7.092 4.882 1.00 0.00 O ATOM 558 CB HIS A 40 -2.017 -8.583 1.891 1.00 0.00 C ATOM 559 CG HIS A 40 -2.891 -9.669 1.342 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.238 -9.502 1.102 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.601 -10.942 0.984 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.740 -10.626 0.621 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.767 -11.515 0.540 1.00 0.00 N ATOM 0 H HIS A 40 -3.465 -9.322 3.768 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.674 -9.625 3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.585 -7.653 1.926 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.181 -8.421 1.210 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.633 -11.418 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.770 -10.790 0.342 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.866 -12.472 0.202 1.00 0.00 H new ATOM 571 N ASN A 41 0.202 -7.129 3.332 1.00 0.00 N ATOM 572 CA ASN A 41 0.852 -5.922 3.828 1.00 0.00 C ATOM 573 C ASN A 41 0.667 -4.763 2.853 1.00 0.00 C ATOM 574 O ASN A 41 0.331 -4.968 1.686 1.00 0.00 O ATOM 575 CB ASN A 41 2.344 -6.178 4.056 1.00 0.00 C ATOM 576 CG ASN A 41 2.606 -6.995 5.306 1.00 0.00 C ATOM 577 OD1 ASN A 41 2.949 -6.451 6.356 1.00 0.00 O ATOM 578 ND2 ASN A 41 2.445 -8.309 5.199 1.00 0.00 N ATOM 0 H ASN A 41 0.658 -7.551 2.523 1.00 0.00 H new ATOM 0 HA ASN A 41 0.387 -5.653 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.757 -6.699 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.866 -5.224 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.607 -8.910 6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.160 -8.717 4.309 1.00 0.00 H new ATOM 585 N PHE A 42 0.888 -3.547 3.339 1.00 0.00 N ATOM 586 CA PHE A 42 0.746 -2.355 2.511 1.00 0.00 C ATOM 587 C PHE A 42 1.621 -1.220 3.035 1.00 0.00 C ATOM 588 O PHE A 42 2.096 -1.261 4.170 1.00 0.00 O ATOM 589 CB PHE A 42 -0.717 -1.909 2.470 1.00 0.00 C ATOM 590 CG PHE A 42 -1.579 -2.759 1.580 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.012 -4.006 1.999 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.955 -2.310 0.325 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.804 -4.790 1.182 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.747 -3.089 -0.497 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.173 -4.331 -0.067 1.00 0.00 C ATOM 0 H PHE A 42 1.166 -3.360 4.302 1.00 0.00 H new ATOM 0 HA PHE A 42 1.072 -2.604 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.123 -1.929 3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.764 -0.875 2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.727 -4.370 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.625 -1.339 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.134 -5.761 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.032 -2.728 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.793 -4.942 -0.706 1.00 0.00 H new ATOM 605 N CYS A 43 1.830 -0.208 2.200 1.00 0.00 N ATOM 606 CA CYS A 43 2.648 0.938 2.577 1.00 0.00 C ATOM 607 C CYS A 43 1.808 1.996 3.287 1.00 0.00 C ATOM 608 O CYS A 43 0.718 2.348 2.832 1.00 0.00 O ATOM 609 CB CYS A 43 3.313 1.545 1.340 1.00 0.00 C ATOM 610 SG CYS A 43 2.333 2.853 0.535 1.00 0.00 S ATOM 0 H CYS A 43 1.444 -0.158 1.257 1.00 0.00 H new ATOM 0 HA CYS A 43 3.420 0.591 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.281 1.955 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.504 0.752 0.617 1.00 0.00 H new ATOM 615 N LEU A 44 2.322 2.500 4.403 1.00 0.00 N ATOM 616 CA LEU A 44 1.620 3.519 5.177 1.00 0.00 C ATOM 617 C LEU A 44 1.100 4.630 4.270 1.00 0.00 C ATOM 618 O LEU A 44 -0.054 5.044 4.377 1.00 0.00 O ATOM 619 CB LEU A 44 2.547 4.107 6.242 1.00 0.00 C ATOM 620 CG LEU A 44 1.873 4.587 7.528 1.00 0.00 C ATOM 621 CD1 LEU A 44 1.292 3.410 8.297 1.00 0.00 C ATOM 622 CD2 LEU A 44 2.860 5.357 8.393 1.00 0.00 C ATOM 0 H LEU A 44 3.222 2.220 4.793 1.00 0.00 H new ATOM 0 HA LEU A 44 0.768 3.046 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.290 3.354 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.086 4.947 5.803 1.00 0.00 H new ATOM 0 HG LEU A 44 1.057 5.258 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.816 3.770 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.552 2.901 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.090 2.714 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.363 5.691 9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.698 4.710 8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.228 6.223 7.842 1.00 0.00 H new ATOM 634 N LYS A 45 1.959 5.107 3.376 1.00 0.00 N ATOM 635 CA LYS A 45 1.587 6.167 2.446 1.00 0.00 C ATOM 636 C LYS A 45 0.261 5.850 1.762 1.00 0.00 C ATOM 637 O LYS A 45 -0.486 6.754 1.385 1.00 0.00 O ATOM 638 CB LYS A 45 2.682 6.360 1.395 1.00 0.00 C ATOM 639 CG LYS A 45 3.903 7.098 1.916 1.00 0.00 C ATOM 640 CD LYS A 45 4.653 7.798 0.795 1.00 0.00 C ATOM 641 CE LYS A 45 5.522 8.928 1.326 1.00 0.00 C ATOM 642 NZ LYS A 45 6.782 8.419 1.934 1.00 0.00 N ATOM 0 H LYS A 45 2.919 4.776 3.276 1.00 0.00 H new ATOM 0 HA LYS A 45 1.471 7.090 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.990 5.384 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.269 6.910 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.595 7.831 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.568 6.394 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.276 7.076 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.941 8.195 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.762 9.614 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.964 9.497 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.347 9.219 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.554 7.784 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.327 7.898 1.218 1.00 0.00 H new ATOM 656 N CYS A 46 -0.026 4.562 1.606 1.00 0.00 N ATOM 657 CA CYS A 46 -1.262 4.126 0.968 1.00 0.00 C ATOM 658 C CYS A 46 -2.333 3.820 2.011 1.00 0.00 C ATOM 659 O CYS A 46 -3.482 4.243 1.878 1.00 0.00 O ATOM 660 CB CYS A 46 -1.006 2.888 0.106 1.00 0.00 C ATOM 661 SG CYS A 46 -0.566 3.264 -1.622 1.00 0.00 S ATOM 0 H CYS A 46 0.581 3.802 1.913 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.619 4.936 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.202 2.305 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.898 2.261 0.115 1.00 0.00 H new ATOM 666 N ILE A 47 -1.949 3.082 3.047 1.00 0.00 N ATOM 667 CA ILE A 47 -2.875 2.721 4.113 1.00 0.00 C ATOM 668 C ILE A 47 -3.520 3.960 4.725 1.00 0.00 C ATOM 669 O ILE A 47 -4.739 4.027 4.883 1.00 0.00 O ATOM 670 CB ILE A 47 -2.171 1.921 5.224 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.608 0.613 4.663 1.00 0.00 C ATOM 672 CG2 ILE A 47 -3.135 1.641 6.368 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.486 0.032 5.494 1.00 0.00 C ATOM 0 H ILE A 47 -1.003 2.722 3.171 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.647 2.098 3.662 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.343 2.516 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.413 -0.119 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.246 0.788 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.622 1.075 7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.492 2.584 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.982 1.064 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.136 -0.894 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.337 0.745 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.849 -0.175 6.501 1.00 0.00 H new ATOM 685 N THR A 48 -2.692 4.943 5.067 1.00 0.00 N ATOM 686 CA THR A 48 -3.181 6.181 5.661 1.00 0.00 C ATOM 687 C THR A 48 -4.031 6.969 4.670 1.00 0.00 C ATOM 688 O THR A 48 -5.241 7.103 4.848 1.00 0.00 O ATOM 689 CB THR A 48 -2.018 7.070 6.142 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.285 6.402 7.174 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.535 8.403 6.661 1.00 0.00 C ATOM 0 H THR A 48 -1.680 4.905 4.943 1.00 0.00 H new ATOM 0 HA THR A 48 -3.794 5.900 6.518 1.00 0.00 H new ATOM 0 HB THR A 48 -1.360 7.259 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.547 6.973 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.696 9.014 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.067 8.922 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.213 8.230 7.497 1.00 0.00 H new ATOM 699 N GLN A 49 -3.389 7.485 3.627 1.00 0.00 N ATOM 700 CA GLN A 49 -4.089 8.259 2.608 1.00 0.00 C ATOM 701 C GLN A 49 -5.460 7.660 2.314 1.00 0.00 C ATOM 702 O GLN A 49 -6.399 8.375 1.964 1.00 0.00 O ATOM 703 CB GLN A 49 -3.259 8.319 1.324 1.00 0.00 C ATOM 704 CG GLN A 49 -3.305 7.037 0.509 1.00 0.00 C ATOM 705 CD GLN A 49 -2.502 7.130 -0.773 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.141 6.826 -1.896 1.00 0.00 O flip ATOM 707 NE2 GLN A 49 -1.319 7.472 -0.754 1.00 0.00 N flip ATOM 0 H GLN A 49 -2.387 7.382 3.465 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.230 9.270 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.617 9.144 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.223 8.539 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.924 6.214 1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.342 6.802 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.867 7.697 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.791 7.530 -1.625 1.00 0.00 H new ATOM 716 N ILE A 50 -5.567 6.343 2.458 1.00 0.00 N ATOM 717 CA ILE A 50 -6.824 5.648 2.208 1.00 0.00 C ATOM 718 C ILE A 50 -7.672 5.575 3.473 1.00 0.00 C ATOM 719 O ILE A 50 -8.892 5.727 3.425 1.00 0.00 O ATOM 720 CB ILE A 50 -6.582 4.220 1.682 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.914 4.267 0.307 1.00 0.00 C ATOM 722 CG2 ILE A 50 -7.894 3.452 1.614 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.413 2.921 -0.167 1.00 0.00 C ATOM 0 H ILE A 50 -4.799 5.737 2.746 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.357 6.221 1.449 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.915 3.702 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.625 4.658 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.078 4.965 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.707 2.445 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.334 3.394 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.582 3.966 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.951 3.030 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.677 2.537 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.249 2.225 -0.235 1.00 0.00 H new ATOM 735 N GLY A 51 -7.017 5.342 4.607 1.00 0.00 N ATOM 736 CA GLY A 51 -7.726 5.254 5.870 1.00 0.00 C ATOM 737 C GLY A 51 -8.558 6.489 6.154 1.00 0.00 C ATOM 738 O GLY A 51 -9.612 6.404 6.783 1.00 0.00 O ATOM 0 H GLY A 51 -6.007 5.213 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.374 4.378 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.008 5.110 6.677 1.00 0.00 H new ATOM 742 N GLU A 52 -8.081 7.641 5.691 1.00 0.00 N ATOM 743 CA GLU A 52 -8.788 8.899 5.903 1.00 0.00 C ATOM 744 C GLU A 52 -10.299 8.686 5.876 1.00 0.00 C ATOM 745 O GLU A 52 -11.047 9.368 6.578 1.00 0.00 O ATOM 746 CB GLU A 52 -8.387 9.920 4.836 1.00 0.00 C ATOM 747 CG GLU A 52 -8.939 9.607 3.456 1.00 0.00 C ATOM 748 CD GLU A 52 -8.964 10.821 2.548 1.00 0.00 C ATOM 749 OE1 GLU A 52 -9.857 11.676 2.724 1.00 0.00 O ATOM 750 OE2 GLU A 52 -8.090 10.916 1.661 1.00 0.00 O ATOM 0 H GLU A 52 -7.210 7.729 5.168 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.510 9.281 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.734 10.907 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.299 9.967 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.334 8.826 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.950 9.211 3.554 1.00 0.00 H new ATOM 757 N THR A 53 -10.742 7.734 5.060 1.00 0.00 N ATOM 758 CA THR A 53 -12.162 7.431 4.940 1.00 0.00 C ATOM 759 C THR A 53 -12.765 7.076 6.294 1.00 0.00 C ATOM 760 O THR A 53 -12.106 6.468 7.137 1.00 0.00 O ATOM 761 CB THR A 53 -12.407 6.268 3.960 1.00 0.00 C ATOM 762 OG1 THR A 53 -11.570 5.157 4.299 1.00 0.00 O ATOM 763 CG2 THR A 53 -12.131 6.700 2.528 1.00 0.00 C ATOM 0 H THR A 53 -10.137 7.160 4.473 1.00 0.00 H new ATOM 0 HA THR A 53 -12.645 8.329 4.555 1.00 0.00 H new ATOM 0 HB THR A 53 -13.453 5.971 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.127 4.405 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.311 5.862 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.791 7.526 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.093 7.021 2.439 1.00 0.00 H new ATOM 771 N SER A 54 -14.022 7.458 6.495 1.00 0.00 N ATOM 772 CA SER A 54 -14.714 7.181 7.749 1.00 0.00 C ATOM 773 C SER A 54 -15.006 5.691 7.891 1.00 0.00 C ATOM 774 O SER A 54 -14.861 5.119 8.973 1.00 0.00 O ATOM 775 CB SER A 54 -16.018 7.977 7.823 1.00 0.00 C ATOM 776 OG SER A 54 -16.511 8.027 9.150 1.00 0.00 O ATOM 0 H SER A 54 -14.582 7.960 5.806 1.00 0.00 H new ATOM 0 HA SER A 54 -14.064 7.486 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.851 8.990 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.764 7.521 7.172 1.00 0.00 H new ATOM 0 HG SER A 54 -17.344 8.543 9.170 1.00 0.00 H new ATOM 782 N CYS A 55 -15.417 5.067 6.793 1.00 0.00 N ATOM 783 CA CYS A 55 -15.730 3.643 6.794 1.00 0.00 C ATOM 784 C CYS A 55 -14.820 2.887 7.757 1.00 0.00 C ATOM 785 O CYS A 55 -15.262 1.981 8.463 1.00 0.00 O ATOM 786 CB CYS A 55 -15.592 3.068 5.384 1.00 0.00 C ATOM 787 SG CYS A 55 -13.916 3.162 4.710 1.00 0.00 S ATOM 0 H CYS A 55 -15.541 5.525 5.890 1.00 0.00 H new ATOM 0 HA CYS A 55 -16.761 3.523 7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -15.910 2.025 5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.271 3.601 4.718 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.336 2.005 4.827 1.00 0.00 H new ATOM 793 N GLY A 56 -13.545 3.264 7.777 1.00 0.00 N ATOM 794 CA GLY A 56 -12.592 2.610 8.655 1.00 0.00 C ATOM 795 C GLY A 56 -11.965 1.385 8.020 1.00 0.00 C ATOM 796 O GLY A 56 -10.742 1.263 7.964 1.00 0.00 O ATOM 0 H GLY A 56 -13.155 4.010 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.808 3.317 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.093 2.321 9.579 1.00 0.00 H new ATOM 800 N PHE A 57 -12.805 0.472 7.543 1.00 0.00 N ATOM 801 CA PHE A 57 -12.326 -0.752 6.911 1.00 0.00 C ATOM 802 C PHE A 57 -11.392 -0.433 5.747 1.00 0.00 C ATOM 803 O PHE A 57 -11.796 0.187 4.764 1.00 0.00 O ATOM 804 CB PHE A 57 -13.506 -1.592 6.418 1.00 0.00 C ATOM 805 CG PHE A 57 -13.143 -3.019 6.120 1.00 0.00 C ATOM 806 CD1 PHE A 57 -12.169 -3.319 5.182 1.00 0.00 C ATOM 807 CD2 PHE A 57 -13.777 -4.060 6.779 1.00 0.00 C ATOM 808 CE1 PHE A 57 -11.833 -4.631 4.906 1.00 0.00 C ATOM 809 CE2 PHE A 57 -13.445 -5.374 6.508 1.00 0.00 C ATOM 810 CZ PHE A 57 -12.472 -5.660 5.570 1.00 0.00 C ATOM 0 H PHE A 57 -13.821 0.557 7.582 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.769 -1.322 7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.293 -1.576 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.917 -1.134 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.666 -2.518 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.539 -3.842 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.072 -4.851 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.946 -6.176 7.029 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.211 -6.686 5.356 1.00 0.00 H new ATOM 820 N PHE A 58 -10.140 -0.863 5.867 1.00 0.00 N ATOM 821 CA PHE A 58 -9.147 -0.623 4.826 1.00 0.00 C ATOM 822 C PHE A 58 -9.367 -1.556 3.639 1.00 0.00 C ATOM 823 O PHE A 58 -9.133 -2.762 3.731 1.00 0.00 O ATOM 824 CB PHE A 58 -7.736 -0.813 5.385 1.00 0.00 C ATOM 825 CG PHE A 58 -6.668 -0.820 4.328 1.00 0.00 C ATOM 826 CD1 PHE A 58 -6.236 0.365 3.755 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.097 -2.011 3.909 1.00 0.00 C ATOM 828 CE1 PHE A 58 -5.254 0.361 2.781 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.115 -2.020 2.937 1.00 0.00 C ATOM 830 CZ PHE A 58 -4.692 -0.832 2.373 1.00 0.00 C ATOM 0 H PHE A 58 -9.789 -1.379 6.674 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.258 0.405 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.526 -0.015 6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.696 -1.752 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.670 1.302 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.423 -2.943 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.927 1.291 2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.678 -2.955 2.618 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.923 -0.837 1.614 1.00 0.00 H new ATOM 840 N LYS A 59 -9.818 -0.991 2.525 1.00 0.00 N ATOM 841 CA LYS A 59 -10.069 -1.770 1.318 1.00 0.00 C ATOM 842 C LYS A 59 -8.774 -2.365 0.775 1.00 0.00 C ATOM 843 O LYS A 59 -7.784 -1.657 0.589 1.00 0.00 O ATOM 844 CB LYS A 59 -10.728 -0.895 0.250 1.00 0.00 C ATOM 845 CG LYS A 59 -11.211 -1.674 -0.962 1.00 0.00 C ATOM 846 CD LYS A 59 -12.619 -2.206 -0.758 1.00 0.00 C ATOM 847 CE LYS A 59 -13.153 -2.869 -2.018 1.00 0.00 C ATOM 848 NZ LYS A 59 -13.490 -1.871 -3.070 1.00 0.00 N ATOM 0 H LYS A 59 -10.018 0.005 2.432 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.743 -2.587 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.573 -0.369 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.016 -0.136 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.188 -1.031 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.532 -2.504 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.622 -2.925 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.279 -1.389 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.410 -3.567 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.041 -3.452 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.990 -2.344 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.100 -1.132 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.616 -1.438 -3.431 1.00 0.00 H new ATOM 862 N CYS A 60 -8.788 -3.669 0.522 1.00 0.00 N ATOM 863 CA CYS A 60 -7.616 -4.360 -0.001 1.00 0.00 C ATOM 864 C CYS A 60 -7.883 -4.902 -1.402 1.00 0.00 C ATOM 865 O CYS A 60 -8.795 -5.698 -1.623 1.00 0.00 O ATOM 866 CB CYS A 60 -7.214 -5.504 0.932 1.00 0.00 C ATOM 867 SG CYS A 60 -5.673 -6.349 0.452 1.00 0.00 S ATOM 0 H CYS A 60 -9.599 -4.269 0.671 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.798 -3.642 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.101 -5.112 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.022 -6.235 0.962 1.00 0.00 H new ATOM 872 N PRO A 61 -7.069 -4.460 -2.372 1.00 0.00 N ATOM 873 CA PRO A 61 -7.197 -4.887 -3.769 1.00 0.00 C ATOM 874 C PRO A 61 -6.802 -6.347 -3.967 1.00 0.00 C ATOM 875 O PRO A 61 -7.370 -7.046 -4.806 1.00 0.00 O ATOM 876 CB PRO A 61 -6.227 -3.965 -4.512 1.00 0.00 C ATOM 877 CG PRO A 61 -5.220 -3.569 -3.488 1.00 0.00 C ATOM 878 CD PRO A 61 -5.961 -3.509 -2.181 1.00 0.00 C ATOM 0 HA PRO A 61 -8.226 -4.820 -4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.757 -4.478 -5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.741 -3.094 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.405 -4.292 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.776 -2.603 -3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.324 -3.797 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.326 -2.503 -1.972 1.00 0.00 H new ATOM 886 N LEU A 62 -5.825 -6.801 -3.189 1.00 0.00 N ATOM 887 CA LEU A 62 -5.354 -8.179 -3.278 1.00 0.00 C ATOM 888 C LEU A 62 -6.410 -9.150 -2.761 1.00 0.00 C ATOM 889 O LEU A 62 -6.660 -10.193 -3.366 1.00 0.00 O ATOM 890 CB LEU A 62 -4.057 -8.347 -2.485 1.00 0.00 C ATOM 891 CG LEU A 62 -2.955 -7.327 -2.775 1.00 0.00 C ATOM 892 CD1 LEU A 62 -1.782 -7.525 -1.829 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.499 -7.431 -4.223 1.00 0.00 C ATOM 0 H LEU A 62 -5.344 -6.235 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.163 -8.405 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.296 -8.301 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.662 -9.344 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.360 -6.328 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.008 -6.790 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.119 -7.398 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.377 -8.529 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.715 -6.698 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.112 -8.432 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.343 -7.237 -4.885 1.00 0.00 H new ATOM 905 N CYS A 63 -7.028 -8.800 -1.638 1.00 0.00 N ATOM 906 CA CYS A 63 -8.059 -9.639 -1.038 1.00 0.00 C ATOM 907 C CYS A 63 -9.162 -9.950 -2.046 1.00 0.00 C ATOM 908 O CYS A 63 -9.938 -10.887 -1.863 1.00 0.00 O ATOM 909 CB CYS A 63 -8.655 -8.951 0.191 1.00 0.00 C ATOM 910 SG CYS A 63 -7.735 -9.255 1.733 1.00 0.00 S ATOM 0 H CYS A 63 -6.833 -7.941 -1.125 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.596 -10.577 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.694 -7.877 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.683 -9.290 0.321 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.388 2.161 -1.507 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.620 -8.254 1.798 1.00 0.00 ZN