USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot 146:sc= 0.806 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0.636 K(o=1.4,f=-3.5!) USER MOD Set 2.1: A 38 SER OG : rot -5:sc= 0.734 USER MOD Set 2.2: A 40 THR OG1 : rot -83:sc= 0.868 USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= -0.374 USER MOD Set 3.2: A 15 CYS SG : rot 92:sc= 1.3 USER MOD Set 3.3: A 61 TYR OH : rot -45:sc= 0.224 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0.9 K(o=0.9,f=-4!) USER MOD Single : A 10 MET CE :methyl -165:sc= -1.76 (180deg=-2.41!) USER MOD Single : A 11 THR OG1 : rot 61:sc= 0.479 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0.948 (180deg=0.905) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -79:sc= 0.666 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 74:sc= 0.239 USER MOD Single : A 62 THR OG1 : rot -31:sc= 0.745 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.594 -9.453 -1.983 1.00 0.00 N ATOM 19 CA LEU A 3 3.058 -8.941 -0.725 1.00 0.00 C ATOM 20 C LEU A 3 1.578 -8.597 -0.865 1.00 0.00 C ATOM 21 O LEU A 3 1.164 -7.985 -1.848 1.00 0.00 O ATOM 22 CB LEU A 3 3.853 -7.713 -0.268 1.00 0.00 C ATOM 23 CG LEU A 3 5.206 -8.017 0.387 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.221 -8.420 -0.675 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.687 -6.796 1.155 1.00 0.00 C ATOM 0 HA LEU A 3 3.155 -9.721 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.022 -7.068 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.244 -7.148 0.438 1.00 0.00 H new ATOM 0 HG LEU A 3 5.093 -8.847 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.179 -8.634 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.868 -9.309 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.344 -7.605 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.649 -7.014 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.797 -5.955 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.960 -6.542 1.927 1.00 0.00 H new ATOM 37 N SER A 4 0.789 -8.993 0.128 1.00 0.00 N ATOM 38 CA SER A 4 -0.647 -8.740 0.109 1.00 0.00 C ATOM 39 C SER A 4 -1.103 -8.095 1.414 1.00 0.00 C ATOM 40 O SER A 4 -0.795 -8.584 2.502 1.00 0.00 O ATOM 41 CB SER A 4 -1.404 -10.032 -0.137 1.00 0.00 C ATOM 42 OG SER A 4 -2.791 -9.834 -0.152 1.00 0.00 O ATOM 0 H SER A 4 1.119 -9.490 0.955 1.00 0.00 H new ATOM 0 HA SER A 4 -0.862 -8.047 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.089 -10.461 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.149 -10.754 0.639 1.00 0.00 H new ATOM 0 HG SER A 4 -3.242 -10.689 -0.315 1.00 0.00 H new ATOM 48 N PHE A 5 -1.839 -6.994 1.298 1.00 0.00 N ATOM 49 CA PHE A 5 -2.386 -6.314 2.467 1.00 0.00 C ATOM 50 C PHE A 5 -3.877 -6.050 2.293 1.00 0.00 C ATOM 51 O PHE A 5 -4.341 -5.740 1.194 1.00 0.00 O ATOM 52 CB PHE A 5 -1.642 -5.001 2.720 1.00 0.00 C ATOM 53 CG PHE A 5 -0.162 -5.171 2.915 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.360 -5.440 4.172 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.710 -5.062 1.843 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.720 -5.594 4.354 1.00 0.00 C ATOM 57 CE2 PHE A 5 2.072 -5.218 2.022 1.00 0.00 C ATOM 58 CZ PHE A 5 2.577 -5.484 3.277 1.00 0.00 C ATOM 0 H PHE A 5 -2.070 -6.554 0.407 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.251 -6.965 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.813 -4.329 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.063 -4.520 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.305 -5.530 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.321 -4.853 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.113 -5.800 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.741 -5.131 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.641 -5.606 3.417 1.00 0.00 H new ATOM 68 N HIS A 6 -4.626 -6.174 3.384 1.00 0.00 N ATOM 69 CA HIS A 6 -6.042 -5.821 3.385 1.00 0.00 C ATOM 70 C HIS A 6 -6.286 -4.565 4.216 1.00 0.00 C ATOM 71 O HIS A 6 -5.970 -4.521 5.404 1.00 0.00 O ATOM 72 CB HIS A 6 -6.890 -6.979 3.920 1.00 0.00 C ATOM 73 CG HIS A 6 -8.363 -6.717 3.872 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.076 -6.690 2.691 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.258 -6.470 4.858 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.347 -6.438 2.955 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.482 -6.301 4.260 1.00 0.00 N ATOM 0 H HIS A 6 -4.276 -6.516 4.279 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.338 -5.620 2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.670 -7.876 3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.600 -7.185 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.048 -6.416 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.140 -6.358 2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.356 -6.101 4.747 1.00 0.00 H new ATOM 84 N VAL A 7 -6.850 -3.541 3.580 1.00 0.00 N ATOM 85 CA VAL A 7 -7.013 -2.241 4.218 1.00 0.00 C ATOM 86 C VAL A 7 -8.437 -1.719 4.047 1.00 0.00 C ATOM 87 O VAL A 7 -8.842 -1.345 2.948 1.00 0.00 O ATOM 88 CB VAL A 7 -6.024 -1.206 3.650 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.218 0.143 4.328 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.591 -1.686 3.823 1.00 0.00 C ATOM 0 H VAL A 7 -7.201 -3.588 2.624 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.806 -2.382 5.279 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.222 -1.090 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.511 0.863 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.236 0.494 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.046 0.040 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.906 -0.942 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.381 -1.831 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.457 -2.630 3.294 1.00 0.00 H new ATOM 100 N GLU A 8 -9.189 -1.699 5.143 1.00 0.00 N ATOM 101 CA GLU A 8 -10.606 -1.357 5.089 1.00 0.00 C ATOM 102 C GLU A 8 -10.796 0.129 4.799 1.00 0.00 C ATOM 103 O GLU A 8 -11.767 0.528 4.155 1.00 0.00 O ATOM 104 CB GLU A 8 -11.300 -1.732 6.400 1.00 0.00 C ATOM 105 CG GLU A 8 -11.459 -3.230 6.621 1.00 0.00 C ATOM 106 CD GLU A 8 -12.454 -3.822 5.662 1.00 0.00 C ATOM 107 OE1 GLU A 8 -12.991 -3.088 4.867 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.595 -5.021 5.647 1.00 0.00 O ATOM 0 H GLU A 8 -8.842 -1.915 6.077 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.059 -1.927 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.732 -1.313 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.286 -1.267 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.494 -3.722 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.783 -3.416 7.645 1.00 0.00 H new ATOM 115 N ASP A 9 -9.862 0.943 5.277 1.00 0.00 N ATOM 116 CA ASP A 9 -9.967 2.392 5.140 1.00 0.00 C ATOM 117 C ASP A 9 -9.971 2.799 3.669 1.00 0.00 C ATOM 118 O ASP A 9 -10.430 3.886 3.318 1.00 0.00 O ATOM 119 CB ASP A 9 -8.820 3.086 5.877 1.00 0.00 C ATOM 120 CG ASP A 9 -8.985 3.136 7.391 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.057 2.837 7.862 1.00 0.00 O ATOM 122 OD2 ASP A 9 -8.002 3.319 8.069 1.00 0.00 O ATOM 0 H ASP A 9 -9.023 0.625 5.763 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.910 2.706 5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.889 2.571 5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.725 4.104 5.500 1.00 0.00 H new ATOM 127 N MET A 10 -9.456 1.921 2.815 1.00 0.00 N ATOM 128 CA MET A 10 -9.431 2.176 1.379 1.00 0.00 C ATOM 129 C MET A 10 -10.845 2.337 0.831 1.00 0.00 C ATOM 130 O MET A 10 -11.727 1.525 1.112 1.00 0.00 O ATOM 131 CB MET A 10 -8.704 1.045 0.653 1.00 0.00 C ATOM 132 CG MET A 10 -7.195 1.038 0.847 1.00 0.00 C ATOM 133 SD MET A 10 -6.385 -0.307 -0.040 1.00 0.00 S ATOM 134 CE MET A 10 -6.634 0.208 -1.736 1.00 0.00 C ATOM 0 H MET A 10 -9.050 1.027 3.092 1.00 0.00 H new ATOM 0 HA MET A 10 -8.892 3.107 1.206 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.106 0.092 0.997 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.920 1.116 -0.413 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.785 1.990 0.509 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.970 0.954 1.910 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.434 -0.630 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.664 0.539 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.956 1.029 -1.970 1.00 0.00 H new ATOM 144 N THR A 11 -11.054 3.390 0.047 1.00 0.00 N ATOM 145 CA THR A 11 -12.398 3.792 -0.349 1.00 0.00 C ATOM 146 C THR A 11 -12.452 4.142 -1.832 1.00 0.00 C ATOM 147 O THR A 11 -13.370 3.733 -2.543 1.00 0.00 O ATOM 148 CB THR A 11 -12.892 4.998 0.471 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.888 4.664 1.866 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.301 5.388 0.051 1.00 0.00 C ATOM 0 H THR A 11 -10.310 3.980 -0.326 1.00 0.00 H new ATOM 0 HA THR A 11 -13.051 2.941 -0.155 1.00 0.00 H new ATOM 0 HB THR A 11 -12.224 5.840 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.974 4.451 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.633 6.242 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.305 5.654 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.976 4.548 0.216 1.00 0.00 H new ATOM 158 N CYS A 12 -11.463 4.902 -2.292 1.00 0.00 N ATOM 159 CA CYS A 12 -11.460 5.405 -3.661 1.00 0.00 C ATOM 160 C CYS A 12 -10.062 5.330 -4.264 1.00 0.00 C ATOM 161 O CYS A 12 -9.089 5.042 -3.568 1.00 0.00 O ATOM 162 CB CYS A 12 -11.896 6.860 -3.490 1.00 0.00 C ATOM 163 SG CYS A 12 -10.772 7.867 -2.493 1.00 0.00 S ATOM 0 H CYS A 12 -10.654 5.183 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.104 4.835 -4.331 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.994 7.315 -4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.884 6.878 -3.031 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.232 9.080 -2.412 1.00 0.00 H new ATOM 169 N GLY A 13 -9.969 5.588 -5.565 1.00 0.00 N ATOM 170 CA GLY A 13 -8.697 5.476 -6.254 1.00 0.00 C ATOM 171 C GLY A 13 -7.643 6.402 -5.681 1.00 0.00 C ATOM 172 O GLY A 13 -6.448 6.116 -5.755 1.00 0.00 O ATOM 0 H GLY A 13 -10.752 5.872 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.344 4.447 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.839 5.702 -7.311 1.00 0.00 H new ATOM 176 N HIS A 14 -8.086 7.517 -5.107 1.00 0.00 N ATOM 177 CA HIS A 14 -7.177 8.450 -4.449 1.00 0.00 C ATOM 178 C HIS A 14 -6.394 7.754 -3.340 1.00 0.00 C ATOM 179 O HIS A 14 -5.177 7.913 -3.233 1.00 0.00 O ATOM 180 CB HIS A 14 -7.948 9.645 -3.878 1.00 0.00 C ATOM 181 CG HIS A 14 -7.085 10.613 -3.127 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.233 11.494 -3.758 1.00 0.00 N ATOM 183 CD2 HIS A 14 -6.944 10.836 -1.800 1.00 0.00 C ATOM 184 CE1 HIS A 14 -5.604 12.219 -2.850 1.00 0.00 C ATOM 185 NE2 HIS A 14 -6.018 11.839 -1.655 1.00 0.00 N ATOM 0 H HIS A 14 -9.067 7.796 -5.084 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.471 8.814 -5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.443 10.171 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.731 9.278 -3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.462 10.322 -1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.876 12.991 -3.051 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.701 12.228 -0.767 1.00 0.00 H new ATOM 192 N CYS A 15 -7.097 6.982 -2.518 1.00 0.00 N ATOM 193 CA CYS A 15 -6.473 6.287 -1.397 1.00 0.00 C ATOM 194 C CYS A 15 -5.443 5.278 -1.891 1.00 0.00 C ATOM 195 O CYS A 15 -4.373 5.128 -1.299 1.00 0.00 O ATOM 196 CB CYS A 15 -7.655 5.576 -0.739 1.00 0.00 C ATOM 197 SG CYS A 15 -8.894 6.683 -0.027 1.00 0.00 S ATOM 0 H CYS A 15 -8.100 6.821 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.936 6.952 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.138 4.939 -1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.277 4.921 0.046 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.816 6.927 -0.910 1.00 0.00 H new ATOM 203 N ALA A 16 -5.769 4.588 -2.978 1.00 0.00 N ATOM 204 CA ALA A 16 -4.836 3.659 -3.604 1.00 0.00 C ATOM 205 C ALA A 16 -3.593 4.386 -4.106 1.00 0.00 C ATOM 206 O ALA A 16 -2.477 3.885 -3.979 1.00 0.00 O ATOM 207 CB ALA A 16 -5.515 2.920 -4.748 1.00 0.00 C ATOM 0 H ALA A 16 -6.674 4.655 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.523 2.934 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.807 2.230 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.369 2.362 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.856 3.638 -5.494 1.00 0.00 H new ATOM 213 N GLY A 17 -3.794 5.570 -4.676 1.00 0.00 N ATOM 214 CA GLY A 17 -2.677 6.354 -5.169 1.00 0.00 C ATOM 215 C GLY A 17 -1.752 6.809 -4.058 1.00 0.00 C ATOM 216 O GLY A 17 -0.532 6.816 -4.220 1.00 0.00 O ATOM 0 H GLY A 17 -4.710 6.000 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.111 5.762 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.056 7.226 -5.702 1.00 0.00 H new ATOM 220 N VAL A 18 -2.334 7.192 -2.926 1.00 0.00 N ATOM 221 CA VAL A 18 -1.553 7.645 -1.780 1.00 0.00 C ATOM 222 C VAL A 18 -0.685 6.520 -1.227 1.00 0.00 C ATOM 223 O VAL A 18 0.479 6.731 -0.885 1.00 0.00 O ATOM 224 CB VAL A 18 -2.458 8.183 -0.656 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.644 8.450 0.601 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.172 9.449 -1.107 1.00 0.00 C ATOM 0 H VAL A 18 -3.343 7.198 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.913 8.453 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.209 7.427 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.299 8.830 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.177 7.524 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.872 9.188 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.807 9.815 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.435 10.210 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.786 9.229 -1.981 1.00 0.00 H new ATOM 236 N ILE A 19 -1.259 5.325 -1.144 1.00 0.00 N ATOM 237 CA ILE A 19 -0.521 4.154 -0.685 1.00 0.00 C ATOM 238 C ILE A 19 0.640 3.835 -1.621 1.00 0.00 C ATOM 239 O ILE A 19 1.755 3.564 -1.173 1.00 0.00 O ATOM 240 CB ILE A 19 -1.434 2.919 -0.573 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.444 3.104 0.562 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.604 1.664 -0.352 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.546 2.069 0.573 1.00 0.00 C ATOM 0 H ILE A 19 -2.232 5.142 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.131 4.395 0.304 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.984 2.807 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.916 3.069 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.890 4.095 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.264 0.800 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.078 1.526 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.030 1.765 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.222 2.266 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.100 2.118 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.111 1.076 0.686 1.00 0.00 H new ATOM 255 N LYS A 20 0.373 3.872 -2.921 1.00 0.00 N ATOM 256 CA LYS A 20 1.411 3.666 -3.923 1.00 0.00 C ATOM 257 C LYS A 20 2.523 4.701 -3.777 1.00 0.00 C ATOM 258 O LYS A 20 3.706 4.364 -3.800 1.00 0.00 O ATOM 259 CB LYS A 20 0.818 3.723 -5.331 1.00 0.00 C ATOM 260 CG LYS A 20 1.834 3.535 -6.450 1.00 0.00 C ATOM 261 CD LYS A 20 1.170 3.597 -7.817 1.00 0.00 C ATOM 262 CE LYS A 20 2.130 3.175 -8.920 1.00 0.00 C ATOM 263 NZ LYS A 20 3.126 4.236 -9.226 1.00 0.00 N ATOM 0 H LYS A 20 -0.556 4.043 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 20 1.840 2.677 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.051 2.954 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.322 4.685 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.601 4.306 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.336 2.575 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.294 2.949 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.818 4.611 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.650 2.265 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.565 2.937 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.661 3.975 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.634 5.138 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.781 4.339 -8.425 1.00 0.00 H new ATOM 277 N GLY A 21 2.133 5.963 -3.622 1.00 0.00 N ATOM 278 CA GLY A 21 3.108 7.033 -3.525 1.00 0.00 C ATOM 279 C GLY A 21 3.968 6.922 -2.281 1.00 0.00 C ATOM 280 O GLY A 21 5.177 7.146 -2.331 1.00 0.00 O ATOM 0 H GLY A 21 1.160 6.263 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.747 7.019 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.591 7.993 -3.521 1.00 0.00 H new ATOM 284 N ALA A 22 3.343 6.577 -1.161 1.00 0.00 N ATOM 285 CA ALA A 22 4.048 6.490 0.112 1.00 0.00 C ATOM 286 C ALA A 22 5.095 5.382 0.085 1.00 0.00 C ATOM 287 O ALA A 22 6.231 5.578 0.521 1.00 0.00 O ATOM 288 CB ALA A 22 3.061 6.257 1.248 1.00 0.00 C ATOM 0 H ALA A 22 2.349 6.353 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 22 4.562 7.437 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.602 6.194 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.352 7.084 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.522 5.326 1.076 1.00 0.00 H new ATOM 294 N ILE A 23 4.709 4.220 -0.427 1.00 0.00 N ATOM 295 CA ILE A 23 5.623 3.091 -0.536 1.00 0.00 C ATOM 296 C ILE A 23 6.689 3.347 -1.596 1.00 0.00 C ATOM 297 O ILE A 23 7.877 3.124 -1.361 1.00 0.00 O ATOM 298 CB ILE A 23 4.875 1.789 -0.876 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.960 1.381 0.280 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.862 0.676 -1.196 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.985 0.280 -0.070 1.00 0.00 C ATOM 0 H ILE A 23 3.768 4.035 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 23 6.102 2.979 0.437 1.00 0.00 H new ATOM 0 HB ILE A 23 4.258 1.964 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.574 1.056 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.401 2.255 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.316 -0.237 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.473 0.966 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.504 0.500 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.372 0.047 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.344 0.608 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.535 -0.610 -0.375 1.00 0.00 H new ATOM 313 N GLU A 24 6.257 3.818 -2.761 1.00 0.00 N ATOM 314 CA GLU A 24 7.166 4.039 -3.880 1.00 0.00 C ATOM 315 C GLU A 24 8.229 5.072 -3.520 1.00 0.00 C ATOM 316 O GLU A 24 9.393 4.941 -3.902 1.00 0.00 O ATOM 317 CB GLU A 24 6.390 4.487 -5.120 1.00 0.00 C ATOM 318 CG GLU A 24 7.238 4.620 -6.378 1.00 0.00 C ATOM 319 CD GLU A 24 6.391 4.939 -7.577 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.195 5.023 -7.431 1.00 0.00 O ATOM 321 OE2 GLU A 24 6.945 5.209 -8.617 1.00 0.00 O ATOM 0 H GLU A 24 5.284 4.054 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 24 7.666 3.096 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.589 3.773 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.918 5.447 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.982 5.404 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.783 3.692 -6.552 1.00 0.00 H new ATOM 328 N LYS A 25 7.823 6.101 -2.785 1.00 0.00 N ATOM 329 CA LYS A 25 8.729 7.180 -2.409 1.00 0.00 C ATOM 330 C LYS A 25 9.793 6.682 -1.436 1.00 0.00 C ATOM 331 O LYS A 25 10.978 6.980 -1.591 1.00 0.00 O ATOM 332 CB LYS A 25 7.951 8.344 -1.793 1.00 0.00 C ATOM 333 CG LYS A 25 8.810 9.543 -1.412 1.00 0.00 C ATOM 334 CD LYS A 25 7.954 10.706 -0.931 1.00 0.00 C ATOM 335 CE LYS A 25 8.814 11.892 -0.519 1.00 0.00 C ATOM 336 NZ LYS A 25 7.992 13.024 -0.012 1.00 0.00 N ATOM 0 H LYS A 25 6.870 6.211 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 25 9.228 7.532 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.188 8.669 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.431 7.988 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.511 9.256 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.403 9.856 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.269 11.008 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.343 10.386 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.517 11.580 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.405 12.226 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.615 13.812 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.338 13.339 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.447 12.713 0.818 1.00 0.00 H new ATOM 350 N THR A 26 9.364 5.923 -0.433 1.00 0.00 N ATOM 351 CA THR A 26 10.241 5.542 0.666 1.00 0.00 C ATOM 352 C THR A 26 10.958 4.230 0.366 1.00 0.00 C ATOM 353 O THR A 26 11.941 3.884 1.024 1.00 0.00 O ATOM 354 CB THR A 26 9.462 5.400 1.986 1.00 0.00 C ATOM 355 OG1 THR A 26 8.473 4.371 1.852 1.00 0.00 O ATOM 356 CG2 THR A 26 8.780 6.711 2.348 1.00 0.00 C ATOM 0 H THR A 26 8.414 5.560 -0.359 1.00 0.00 H new ATOM 0 HA THR A 26 10.977 6.339 0.774 1.00 0.00 H new ATOM 0 HB THR A 26 10.164 5.138 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.695 4.726 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.234 6.591 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.531 7.492 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.085 6.990 1.556 1.00 0.00 H new ATOM 364 N VAL A 27 10.463 3.505 -0.631 1.00 0.00 N ATOM 365 CA VAL A 27 11.084 2.252 -1.046 1.00 0.00 C ATOM 366 C VAL A 27 11.437 2.278 -2.529 1.00 0.00 C ATOM 367 O VAL A 27 10.573 2.422 -3.395 1.00 0.00 O ATOM 368 CB VAL A 27 10.165 1.047 -0.766 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.822 -0.242 -1.234 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.829 0.966 0.715 1.00 0.00 C ATOM 0 H VAL A 27 9.634 3.763 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 27 11.997 2.143 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 27 9.238 1.184 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.160 -1.083 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.014 -0.184 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.764 -0.384 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.179 0.109 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.747 0.852 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.319 1.879 1.023 1.00 0.00 H new ATOM 380 N PRO A 28 12.735 2.135 -2.831 1.00 0.00 N ATOM 381 CA PRO A 28 13.233 2.145 -4.210 1.00 0.00 C ATOM 382 C PRO A 28 12.828 0.894 -4.981 1.00 0.00 C ATOM 383 O PRO A 28 12.986 -0.225 -4.495 1.00 0.00 O ATOM 384 CB PRO A 28 14.753 2.250 -4.052 1.00 0.00 C ATOM 385 CG PRO A 28 15.030 1.651 -2.715 1.00 0.00 C ATOM 386 CD PRO A 28 13.853 2.031 -1.857 1.00 0.00 C ATOM 0 HA PRO A 28 12.814 2.966 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.273 1.711 -4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.087 3.287 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.134 0.568 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.961 2.035 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.652 1.279 -1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.022 2.974 -1.338 1.00 0.00 H new ATOM 394 N GLY A 29 12.306 1.092 -6.188 1.00 0.00 N ATOM 395 CA GLY A 29 11.938 -0.033 -7.031 1.00 0.00 C ATOM 396 C GLY A 29 10.665 -0.711 -6.565 1.00 0.00 C ATOM 397 O GLY A 29 10.438 -1.886 -6.858 1.00 0.00 O ATOM 0 H GLY A 29 12.131 2.010 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.808 0.312 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.751 -0.759 -7.039 1.00 0.00 H new ATOM 401 N ALA A 30 9.834 0.027 -5.838 1.00 0.00 N ATOM 402 CA ALA A 30 8.601 -0.525 -5.290 1.00 0.00 C ATOM 403 C ALA A 30 7.470 -0.464 -6.310 1.00 0.00 C ATOM 404 O ALA A 30 7.102 0.613 -6.779 1.00 0.00 O ATOM 405 CB ALA A 30 8.211 0.215 -4.020 1.00 0.00 C ATOM 0 H ALA A 30 9.992 1.010 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 30 8.778 -1.573 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.289 -0.207 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.006 0.113 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.059 1.270 -4.246 1.00 0.00 H new ATOM 411 N ALA A 31 6.921 -1.626 -6.651 1.00 0.00 N ATOM 412 CA ALA A 31 5.715 -1.692 -7.465 1.00 0.00 C ATOM 413 C ALA A 31 4.485 -1.947 -6.603 1.00 0.00 C ATOM 414 O ALA A 31 4.375 -2.988 -5.954 1.00 0.00 O ATOM 415 CB ALA A 31 5.853 -2.773 -8.527 1.00 0.00 C ATOM 0 H ALA A 31 7.294 -2.535 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 31 5.586 -0.729 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.944 -2.811 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.704 -2.545 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.010 -3.738 -8.045 1.00 0.00 H new ATOM 421 N VAL A 32 3.559 -0.992 -6.600 1.00 0.00 N ATOM 422 CA VAL A 32 2.355 -1.097 -5.787 1.00 0.00 C ATOM 423 C VAL A 32 1.100 -0.984 -6.647 1.00 0.00 C ATOM 424 O VAL A 32 0.884 0.026 -7.318 1.00 0.00 O ATOM 425 CB VAL A 32 2.315 -0.014 -4.693 1.00 0.00 C ATOM 426 CG1 VAL A 32 1.039 -0.130 -3.872 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.537 -0.122 -3.793 1.00 0.00 C ATOM 0 H VAL A 32 3.621 -0.137 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 32 2.380 -2.078 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 32 2.326 0.963 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.029 0.644 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.174 -0.006 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.999 -1.111 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.493 0.651 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.554 -1.104 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.440 0.009 -4.389 1.00 0.00 H new ATOM 437 N HIS A 33 0.276 -2.025 -6.621 1.00 0.00 N ATOM 438 CA HIS A 33 -1.031 -1.982 -7.268 1.00 0.00 C ATOM 439 C HIS A 33 -2.148 -2.212 -6.254 1.00 0.00 C ATOM 440 O HIS A 33 -2.273 -3.298 -5.689 1.00 0.00 O ATOM 441 CB HIS A 33 -1.116 -3.024 -8.388 1.00 0.00 C ATOM 442 CG HIS A 33 -0.070 -2.856 -9.447 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.217 -1.985 -10.506 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.137 -3.448 -9.609 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.858 -2.049 -11.275 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.692 -2.928 -10.752 1.00 0.00 N ATOM 0 H HIS A 33 0.489 -2.909 -6.159 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.156 -0.990 -7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.024 -4.020 -7.954 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.101 -2.968 -8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.580 -4.190 -8.961 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.025 -1.479 -12.177 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.603 -3.181 -11.135 1.00 0.00 H new ATOM 453 N ALA A 34 -2.955 -1.181 -6.027 1.00 0.00 N ATOM 454 CA ALA A 34 -3.981 -1.227 -4.992 1.00 0.00 C ATOM 455 C ALA A 34 -5.376 -1.130 -5.598 1.00 0.00 C ATOM 456 O ALA A 34 -5.584 -0.435 -6.593 1.00 0.00 O ATOM 457 CB ALA A 34 -3.762 -0.109 -3.982 1.00 0.00 C ATOM 0 H ALA A 34 -2.918 -0.304 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.903 -2.185 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.535 -0.155 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.783 -0.225 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.811 0.854 -4.489 1.00 0.00 H new ATOM 463 N ASP A 35 -6.329 -1.832 -4.994 1.00 0.00 N ATOM 464 CA ASP A 35 -7.709 -1.815 -5.468 1.00 0.00 C ATOM 465 C ASP A 35 -8.672 -1.520 -4.323 1.00 0.00 C ATOM 466 O ASP A 35 -8.882 -2.340 -3.428 1.00 0.00 O ATOM 467 CB ASP A 35 -8.066 -3.148 -6.129 1.00 0.00 C ATOM 468 CG ASP A 35 -9.467 -3.198 -6.725 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.184 -2.235 -6.591 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.753 -4.129 -7.440 1.00 0.00 O ATOM 0 H ASP A 35 -6.172 -2.420 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.802 -1.021 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.341 -3.355 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.970 -3.944 -5.390 1.00 0.00 H new ATOM 475 N PRO A 36 -9.273 -0.321 -4.349 1.00 0.00 N ATOM 476 CA PRO A 36 -10.193 0.126 -3.300 1.00 0.00 C ATOM 477 C PRO A 36 -11.544 -0.577 -3.373 1.00 0.00 C ATOM 478 O PRO A 36 -12.297 -0.598 -2.401 1.00 0.00 O ATOM 479 CB PRO A 36 -10.324 1.634 -3.541 1.00 0.00 C ATOM 480 CG PRO A 36 -10.066 1.800 -5.000 1.00 0.00 C ATOM 481 CD PRO A 36 -9.023 0.769 -5.341 1.00 0.00 C ATOM 0 HA PRO A 36 -9.821 -0.110 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.316 1.995 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.606 2.196 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.976 1.645 -5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.712 2.806 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.131 0.412 -6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.015 1.172 -5.249 1.00 0.00 H new ATOM 489 N ALA A 37 -11.842 -1.154 -4.533 1.00 0.00 N ATOM 490 CA ALA A 37 -13.072 -1.913 -4.714 1.00 0.00 C ATOM 491 C ALA A 37 -13.060 -3.188 -3.877 1.00 0.00 C ATOM 492 O ALA A 37 -14.077 -3.574 -3.302 1.00 0.00 O ATOM 493 CB ALA A 37 -13.276 -2.247 -6.185 1.00 0.00 C ATOM 0 H ALA A 37 -11.248 -1.110 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.903 -1.295 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.199 -2.814 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.340 -1.325 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.436 -2.842 -6.543 1.00 0.00 H new ATOM 499 N SER A 38 -11.902 -3.838 -3.815 1.00 0.00 N ATOM 500 CA SER A 38 -11.719 -4.991 -2.941 1.00 0.00 C ATOM 501 C SER A 38 -11.049 -4.580 -1.632 1.00 0.00 C ATOM 502 O SER A 38 -10.986 -5.361 -0.683 1.00 0.00 O ATOM 503 CB SER A 38 -10.900 -6.055 -3.645 1.00 0.00 C ATOM 504 OG SER A 38 -9.621 -5.596 -3.986 1.00 0.00 O ATOM 0 H SER A 38 -11.077 -3.586 -4.359 1.00 0.00 H new ATOM 0 HA SER A 38 -12.700 -5.402 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.811 -6.929 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.422 -6.376 -4.547 1.00 0.00 H new ATOM 0 HG SER A 38 -9.548 -4.642 -3.773 1.00 0.00 H new ATOM 510 N ARG A 39 -10.552 -3.347 -1.591 1.00 0.00 N ATOM 511 CA ARG A 39 -9.910 -2.823 -0.392 1.00 0.00 C ATOM 512 C ARG A 39 -8.637 -3.602 -0.072 1.00 0.00 C ATOM 513 O ARG A 39 -8.358 -3.907 1.088 1.00 0.00 O ATOM 514 CB ARG A 39 -10.858 -2.785 0.798 1.00 0.00 C ATOM 515 CG ARG A 39 -12.058 -1.866 0.631 1.00 0.00 C ATOM 516 CD ARG A 39 -12.955 -1.808 1.813 1.00 0.00 C ATOM 517 NE ARG A 39 -14.177 -1.048 1.607 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.129 -0.859 2.541 1.00 0.00 C ATOM 519 NH1 ARG A 39 -15.024 -1.403 3.734 1.00 0.00 N ATOM 520 NH2 ARG A 39 -16.184 -0.131 2.220 1.00 0.00 N ATOM 0 H ARG A 39 -10.582 -2.694 -2.374 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.630 -1.790 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.217 -3.796 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.299 -2.472 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.702 -0.860 0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.636 -2.196 -0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.219 -2.825 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.407 -1.371 2.648 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.324 -0.628 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.213 -1.978 3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.754 -1.250 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.261 0.271 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.921 0.029 2.907 1.00 0.00 H new ATOM 534 N THR A 40 -7.869 -3.922 -1.109 1.00 0.00 N ATOM 535 CA THR A 40 -6.644 -4.692 -0.942 1.00 0.00 C ATOM 536 C THR A 40 -5.459 -3.991 -1.599 1.00 0.00 C ATOM 537 O THR A 40 -5.636 -3.147 -2.476 1.00 0.00 O ATOM 538 CB THR A 40 -6.784 -6.108 -1.532 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.023 -6.018 -2.943 1.00 0.00 O ATOM 540 CG2 THR A 40 -7.936 -6.851 -0.873 1.00 0.00 C ATOM 0 H THR A 40 -8.074 -3.659 -2.073 1.00 0.00 H new ATOM 0 HA THR A 40 -6.465 -4.772 0.130 1.00 0.00 H new ATOM 0 HB THR A 40 -5.860 -6.655 -1.346 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.976 -5.857 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.019 -7.849 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.752 -6.932 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.864 -6.305 -1.041 1.00 0.00 H new ATOM 548 N VAL A 41 -4.254 -4.350 -1.169 1.00 0.00 N ATOM 549 CA VAL A 41 -3.038 -3.806 -1.764 1.00 0.00 C ATOM 550 C VAL A 41 -2.082 -4.919 -2.175 1.00 0.00 C ATOM 551 O VAL A 41 -1.749 -5.792 -1.373 1.00 0.00 O ATOM 552 CB VAL A 41 -2.315 -2.849 -0.798 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.088 -2.244 -1.466 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.259 -1.752 -0.328 1.00 0.00 C ATOM 0 H VAL A 41 -4.093 -5.014 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.343 -3.248 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.989 -3.420 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.589 -1.570 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.402 -3.040 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.393 -1.688 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.731 -1.085 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.614 -1.185 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.109 -2.199 0.188 1.00 0.00 H new ATOM 564 N VAL A 42 -1.641 -4.881 -3.427 1.00 0.00 N ATOM 565 CA VAL A 42 -0.661 -5.841 -3.923 1.00 0.00 C ATOM 566 C VAL A 42 0.686 -5.171 -4.173 1.00 0.00 C ATOM 567 O VAL A 42 0.779 -4.199 -4.922 1.00 0.00 O ATOM 568 CB VAL A 42 -1.139 -6.515 -5.223 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.083 -7.480 -5.742 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.456 -7.240 -4.995 1.00 0.00 C ATOM 0 H VAL A 42 -1.946 -4.196 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.547 -6.603 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.298 -5.741 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.437 -7.947 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.839 -6.936 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.106 -8.249 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.778 -7.710 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.323 -8.004 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.212 -6.526 -4.668 1.00 0.00 H new ATOM 580 N VAL A 43 1.729 -5.698 -3.539 1.00 0.00 N ATOM 581 CA VAL A 43 3.046 -5.076 -3.585 1.00 0.00 C ATOM 582 C VAL A 43 4.102 -6.058 -4.078 1.00 0.00 C ATOM 583 O VAL A 43 4.146 -7.208 -3.643 1.00 0.00 O ATOM 584 CB VAL A 43 3.464 -4.537 -2.204 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.826 -3.863 -2.285 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.422 -3.565 -1.672 1.00 0.00 C ATOM 0 H VAL A 43 1.687 -6.555 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 43 2.976 -4.242 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 43 3.535 -5.378 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.106 -3.488 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.570 -4.585 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.780 -3.033 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.735 -3.195 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.320 -2.727 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.464 -4.075 -1.577 1.00 0.00 H new ATOM 596 N GLY A 44 4.952 -5.596 -4.991 1.00 0.00 N ATOM 597 CA GLY A 44 5.994 -6.449 -5.533 1.00 0.00 C ATOM 598 C GLY A 44 7.210 -6.521 -4.633 1.00 0.00 C ATOM 599 O GLY A 44 7.121 -6.262 -3.433 1.00 0.00 O ATOM 0 H GLY A 44 4.937 -4.647 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.596 -7.453 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.292 -6.075 -6.513 1.00 0.00 H new ATOM 603 N GLY A 45 8.354 -6.875 -5.214 1.00 0.00 N ATOM 604 CA GLY A 45 9.570 -7.012 -4.433 1.00 0.00 C ATOM 605 C GLY A 45 9.947 -5.729 -3.719 1.00 0.00 C ATOM 606 O GLY A 45 10.294 -4.734 -4.355 1.00 0.00 O ATOM 0 H GLY A 45 8.460 -7.069 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.440 -7.808 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.387 -7.313 -5.088 1.00 0.00 H new ATOM 610 N VAL A 46 9.878 -5.750 -2.392 1.00 0.00 N ATOM 611 CA VAL A 46 10.125 -4.554 -1.594 1.00 0.00 C ATOM 612 C VAL A 46 10.786 -4.907 -0.266 1.00 0.00 C ATOM 613 O VAL A 46 10.996 -6.079 0.043 1.00 0.00 O ATOM 614 CB VAL A 46 8.822 -3.780 -1.320 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.252 -3.221 -2.615 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.803 -4.677 -0.635 1.00 0.00 C ATOM 0 H VAL A 46 9.653 -6.582 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 46 10.797 -3.920 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 46 9.050 -2.947 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.332 -2.677 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.976 -2.545 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.039 -4.040 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.889 -4.113 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.580 -5.530 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.209 -5.032 0.312 1.00 0.00 H new ATOM 626 N SER A 47 11.110 -3.882 0.516 1.00 0.00 N ATOM 627 CA SER A 47 11.684 -4.085 1.841 1.00 0.00 C ATOM 628 C SER A 47 10.701 -4.809 2.755 1.00 0.00 C ATOM 629 O SER A 47 9.563 -5.080 2.370 1.00 0.00 O ATOM 630 CB SER A 47 12.089 -2.753 2.444 1.00 0.00 C ATOM 631 OG SER A 47 10.979 -1.958 2.758 1.00 0.00 O ATOM 0 H SER A 47 10.985 -2.904 0.255 1.00 0.00 H new ATOM 0 HA SER A 47 12.572 -4.709 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.676 -2.927 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.731 -2.219 1.744 1.00 0.00 H new ATOM 0 HG SER A 47 11.168 -1.436 3.565 1.00 0.00 H new ATOM 637 N ASP A 48 11.149 -5.120 3.966 1.00 0.00 N ATOM 638 CA ASP A 48 10.366 -5.945 4.881 1.00 0.00 C ATOM 639 C ASP A 48 8.886 -5.584 4.808 1.00 0.00 C ATOM 640 O ASP A 48 8.517 -4.414 4.896 1.00 0.00 O ATOM 641 CB ASP A 48 10.878 -5.791 6.316 1.00 0.00 C ATOM 642 CG ASP A 48 10.161 -6.663 7.337 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.208 -7.310 6.971 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.660 -6.798 8.428 1.00 0.00 O ATOM 0 H ASP A 48 12.049 -4.814 4.337 1.00 0.00 H new ATOM 0 HA ASP A 48 10.481 -6.986 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.942 -6.029 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.779 -4.747 6.614 1.00 0.00 H new ATOM 649 N ALA A 49 8.043 -6.599 4.643 1.00 0.00 N ATOM 650 CA ALA A 49 6.601 -6.390 4.573 1.00 0.00 C ATOM 651 C ALA A 49 6.097 -5.627 5.791 1.00 0.00 C ATOM 652 O ALA A 49 5.145 -4.852 5.701 1.00 0.00 O ATOM 653 CB ALA A 49 5.882 -7.725 4.446 1.00 0.00 C ATOM 0 H ALA A 49 8.333 -7.573 4.555 1.00 0.00 H new ATOM 0 HA ALA A 49 6.387 -5.789 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.806 -7.556 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.213 -8.232 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.111 -8.345 5.313 1.00 0.00 H new ATOM 659 N ALA A 50 6.741 -5.852 6.933 1.00 0.00 N ATOM 660 CA ALA A 50 6.425 -5.111 8.147 1.00 0.00 C ATOM 661 C ALA A 50 6.653 -3.615 7.954 1.00 0.00 C ATOM 662 O ALA A 50 5.855 -2.792 8.401 1.00 0.00 O ATOM 663 CB ALA A 50 7.254 -5.627 9.312 1.00 0.00 C ATOM 0 H ALA A 50 7.485 -6.542 7.041 1.00 0.00 H new ATOM 0 HA ALA A 50 5.369 -5.265 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.007 -5.064 10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.037 -6.683 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.313 -5.505 9.087 1.00 0.00 H new ATOM 669 N HIS A 51 7.750 -3.271 7.286 1.00 0.00 N ATOM 670 CA HIS A 51 8.031 -1.882 6.941 1.00 0.00 C ATOM 671 C HIS A 51 6.966 -1.330 5.999 1.00 0.00 C ATOM 672 O HIS A 51 6.543 -0.182 6.129 1.00 0.00 O ATOM 673 CB HIS A 51 9.417 -1.750 6.303 1.00 0.00 C ATOM 674 CG HIS A 51 9.812 -0.336 6.009 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.613 0.005 4.939 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.517 0.823 6.644 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.793 1.315 4.928 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.139 1.833 5.952 1.00 0.00 N ATOM 0 H HIS A 51 8.458 -3.935 6.973 1.00 0.00 H new ATOM 0 HA HIS A 51 8.015 -1.300 7.862 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.157 -2.194 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.437 -2.324 5.376 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.907 0.933 7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.375 1.867 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.102 2.824 6.190 1.00 0.00 H new ATOM 685 N ILE A 52 6.538 -2.156 5.049 1.00 0.00 N ATOM 686 CA ILE A 52 5.514 -1.754 4.092 1.00 0.00 C ATOM 687 C ILE A 52 4.184 -1.490 4.789 1.00 0.00 C ATOM 688 O ILE A 52 3.470 -0.548 4.449 1.00 0.00 O ATOM 689 CB ILE A 52 5.311 -2.823 3.003 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.600 -3.019 2.199 1.00 0.00 C ATOM 691 CG2 ILE A 52 4.162 -2.434 2.085 1.00 0.00 C ATOM 692 CD1 ILE A 52 7.037 -1.789 1.436 1.00 0.00 C ATOM 0 H ILE A 52 6.884 -3.107 4.922 1.00 0.00 H new ATOM 0 HA ILE A 52 5.863 -0.834 3.623 1.00 0.00 H new ATOM 0 HB ILE A 52 5.061 -3.767 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.399 -3.317 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.457 -3.840 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.032 -3.200 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.245 -2.343 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.385 -1.480 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.956 -2.006 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.257 -1.502 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.213 -0.971 2.135 1.00 0.00 H new ATOM 704 N ALA A 53 3.859 -2.328 5.769 1.00 0.00 N ATOM 705 CA ALA A 53 2.640 -2.154 6.550 1.00 0.00 C ATOM 706 C ALA A 53 2.689 -0.864 7.363 1.00 0.00 C ATOM 707 O ALA A 53 1.681 -0.177 7.514 1.00 0.00 O ATOM 708 CB ALA A 53 2.424 -3.350 7.465 1.00 0.00 C ATOM 0 H ALA A 53 4.423 -3.134 6.041 1.00 0.00 H new ATOM 0 HA ALA A 53 1.801 -2.085 5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.510 -3.206 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.336 -4.256 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.271 -3.446 8.144 1.00 0.00 H new ATOM 714 N GLU A 54 3.870 -0.545 7.886 1.00 0.00 N ATOM 715 CA GLU A 54 4.074 0.711 8.597 1.00 0.00 C ATOM 716 C GLU A 54 3.918 1.902 7.655 1.00 0.00 C ATOM 717 O GLU A 54 3.389 2.945 8.039 1.00 0.00 O ATOM 718 CB GLU A 54 5.455 0.737 9.257 1.00 0.00 C ATOM 719 CG GLU A 54 5.593 -0.185 10.460 1.00 0.00 C ATOM 720 CD GLU A 54 7.012 -0.228 10.956 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.857 0.369 10.333 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.234 -0.761 12.017 1.00 0.00 O ATOM 0 H GLU A 54 4.698 -1.138 7.830 1.00 0.00 H new ATOM 0 HA GLU A 54 3.313 0.785 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.204 0.461 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.676 1.758 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.936 0.157 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.270 -1.190 10.189 1.00 0.00 H new ATOM 729 N ILE A 55 4.383 1.737 6.420 1.00 0.00 N ATOM 730 CA ILE A 55 4.239 2.774 5.407 1.00 0.00 C ATOM 731 C ILE A 55 2.773 2.994 5.049 1.00 0.00 C ATOM 732 O ILE A 55 2.320 4.131 4.918 1.00 0.00 O ATOM 733 CB ILE A 55 5.024 2.427 4.129 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.531 2.474 4.398 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.652 3.378 3.002 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.366 1.843 3.308 1.00 0.00 C ATOM 0 H ILE A 55 4.862 0.896 6.098 1.00 0.00 H new ATOM 0 HA ILE A 55 4.646 3.690 5.834 1.00 0.00 H new ATOM 0 HB ILE A 55 4.760 1.414 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.836 3.513 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.738 1.967 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.216 3.119 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.585 3.297 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.888 4.401 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.421 1.915 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.090 0.794 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.190 2.364 2.367 1.00 0.00 H new ATOM 748 N ILE A 56 2.036 1.899 4.895 1.00 0.00 N ATOM 749 CA ILE A 56 0.608 1.973 4.619 1.00 0.00 C ATOM 750 C ILE A 56 -0.135 2.669 5.753 1.00 0.00 C ATOM 751 O ILE A 56 -1.052 3.458 5.520 1.00 0.00 O ATOM 752 CB ILE A 56 0.002 0.574 4.402 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.536 -0.045 3.107 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.517 0.650 4.373 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.221 -1.515 2.957 1.00 0.00 C ATOM 0 H ILE A 56 2.405 0.950 4.957 1.00 0.00 H new ATOM 0 HA ILE A 56 0.493 2.553 3.704 1.00 0.00 H new ATOM 0 HB ILE A 56 0.297 -0.064 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.117 0.495 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.617 0.091 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.928 -0.348 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.879 1.050 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.833 1.303 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.632 -1.881 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.663 -2.068 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.860 -1.658 2.961 1.00 0.00 H new ATOM 767 N THR A 57 0.266 2.374 6.987 1.00 0.00 N ATOM 768 CA THR A 57 -0.238 3.096 8.148 1.00 0.00 C ATOM 769 C THR A 57 0.167 4.564 8.101 1.00 0.00 C ATOM 770 O THR A 57 -0.611 5.444 8.468 1.00 0.00 O ATOM 771 CB THR A 57 0.268 2.475 9.463 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.210 1.128 9.574 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.220 3.282 10.656 1.00 0.00 C ATOM 0 H THR A 57 0.939 1.639 7.207 1.00 0.00 H new ATOM 0 HA THR A 57 -1.325 3.021 8.117 1.00 0.00 H new ATOM 0 HB THR A 57 1.358 2.481 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.285 0.553 8.953 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.147 2.829 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.152 4.304 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.310 3.293 10.667 1.00 0.00 H new ATOM 781 N ALA A 58 1.389 4.823 7.647 1.00 0.00 N ATOM 782 CA ALA A 58 1.872 6.188 7.484 1.00 0.00 C ATOM 783 C ALA A 58 1.074 6.930 6.416 1.00 0.00 C ATOM 784 O ALA A 58 0.990 8.157 6.433 1.00 0.00 O ATOM 785 CB ALA A 58 3.351 6.187 7.133 1.00 0.00 C ATOM 0 H ALA A 58 2.063 4.104 7.385 1.00 0.00 H new ATOM 0 HA ALA A 58 1.735 6.710 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.697 7.214 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.914 5.704 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.503 5.643 6.201 1.00 0.00 H new ATOM 791 N ALA A 59 0.489 6.176 5.490 1.00 0.00 N ATOM 792 CA ALA A 59 -0.384 6.753 4.476 1.00 0.00 C ATOM 793 C ALA A 59 -1.768 7.045 5.046 1.00 0.00 C ATOM 794 O ALA A 59 -2.600 7.672 4.391 1.00 0.00 O ATOM 795 CB ALA A 59 -0.490 5.819 3.279 1.00 0.00 C ATOM 0 H ALA A 59 0.604 5.165 5.422 1.00 0.00 H new ATOM 0 HA ALA A 59 0.052 7.697 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.145 6.262 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.500 5.664 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.901 4.862 3.600 1.00 0.00 H new ATOM 801 N GLY A 60 -2.009 6.583 6.269 1.00 0.00 N ATOM 802 CA GLY A 60 -3.231 6.936 6.968 1.00 0.00 C ATOM 803 C GLY A 60 -4.357 5.960 6.694 1.00 0.00 C ATOM 804 O GLY A 60 -5.522 6.248 6.975 1.00 0.00 O ATOM 0 H GLY A 60 -1.380 5.971 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.036 6.970 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.541 7.937 6.669 1.00 0.00 H new ATOM 808 N TYR A 61 -4.015 4.801 6.142 1.00 0.00 N ATOM 809 CA TYR A 61 -5.009 3.792 5.801 1.00 0.00 C ATOM 810 C TYR A 61 -4.721 2.478 6.521 1.00 0.00 C ATOM 811 O TYR A 61 -3.635 1.911 6.392 1.00 0.00 O ATOM 812 CB TYR A 61 -5.049 3.567 4.288 1.00 0.00 C ATOM 813 CG TYR A 61 -5.364 4.813 3.491 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.662 5.292 3.405 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.363 5.506 2.826 1.00 0.00 C ATOM 816 CE1 TYR A 61 -6.957 6.429 2.678 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.646 6.645 2.096 1.00 0.00 C ATOM 818 CZ TYR A 61 -5.945 7.104 2.025 1.00 0.00 C ATOM 819 OH TYR A 61 -6.233 8.237 1.300 1.00 0.00 O ATOM 0 H TYR A 61 -3.055 4.537 5.921 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.983 4.156 6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.086 3.174 3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.796 2.806 4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.456 4.767 3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.345 5.149 2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.974 6.788 2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.855 7.173 1.584 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.035 8.084 0.758 1.00 0.00 H new ATOM 829 N THR A 62 -5.701 1.998 7.279 1.00 0.00 N ATOM 830 CA THR A 62 -5.510 0.828 8.127 1.00 0.00 C ATOM 831 C THR A 62 -6.681 -0.139 8.000 1.00 0.00 C ATOM 832 O THR A 62 -7.780 0.229 7.586 1.00 0.00 O ATOM 833 CB THR A 62 -5.340 1.222 9.606 1.00 0.00 C ATOM 834 OG1 THR A 62 -6.528 1.875 10.069 1.00 0.00 O ATOM 835 CG2 THR A 62 -4.153 2.159 9.773 1.00 0.00 C ATOM 0 H THR A 62 -6.637 2.402 7.323 1.00 0.00 H new ATOM 0 HA THR A 62 -4.598 0.338 7.786 1.00 0.00 H new ATOM 0 HB THR A 62 -5.163 0.319 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.942 2.365 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.047 2.428 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.245 1.661 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.315 3.061 9.182 1.00 0.00 H new