USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 429 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 152:sc= 0.818 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0.664 K(o=1.5,f=-3.3!) USER MOD Set 2.1: A 38 SER OG : rot -177:sc= 0.803 USER MOD Set 2.2: A 40 THR OG1 : rot -77:sc= 0.918 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -172:sc= 1.29 (180deg=0) USER MOD Set 3.2: A 33 HIS : no HD1:sc= 1.08 K(o=2.4,f=-8.4!) USER MOD Set 4.1: A 12 CYS SG : rot 180:sc= -0.527 USER MOD Set 4.2: A 15 CYS SG : rot 84:sc= 1.64 USER MOD Set 4.3: A 61 TYR OH : rot -27:sc= -0.567 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0.827 K(o=0.83,f=-4.5!) USER MOD Single : A 10 MET CE :methyl -176:sc= -1.58 (180deg=-1.6) USER MOD Single : A 11 THR OG1 : rot 62:sc= 0.431 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 87:sc= 0.922 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.341 -13.151 -4.392 1.00 0.00 N ATOM 2 CA ALA A 1 7.176 -13.964 -4.070 1.00 0.00 C ATOM 3 C ALA A 1 5.882 -13.218 -4.382 1.00 0.00 C ATOM 4 O ALA A 1 5.457 -13.148 -5.533 1.00 0.00 O ATOM 5 CB ALA A 1 7.208 -14.376 -2.606 1.00 0.00 C ATOM 0 H1 ALA A 1 9.207 -13.682 -4.170 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.330 -12.914 -5.405 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.319 -12.275 -3.831 1.00 0.00 H new ATOM 0 HA ALA A 1 7.207 -14.860 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.331 -14.983 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.111 -14.955 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.205 -13.486 -1.977 1.00 0.00 H new ATOM 11 N GLY A 2 5.261 -12.661 -3.346 1.00 0.00 N ATOM 12 CA GLY A 2 4.017 -11.938 -3.529 1.00 0.00 C ATOM 13 C GLY A 2 3.409 -11.486 -2.216 1.00 0.00 C ATOM 14 O GLY A 2 3.013 -12.309 -1.390 1.00 0.00 O ATOM 0 H GLY A 2 5.598 -12.698 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.196 -11.068 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.305 -12.574 -4.055 1.00 0.00 H new ATOM 18 N LEU A 3 3.338 -10.174 -2.020 1.00 0.00 N ATOM 19 CA LEU A 3 2.787 -9.613 -0.790 1.00 0.00 C ATOM 20 C LEU A 3 1.363 -9.112 -1.012 1.00 0.00 C ATOM 21 O LEU A 3 1.055 -8.524 -2.047 1.00 0.00 O ATOM 22 CB LEU A 3 3.680 -8.477 -0.276 1.00 0.00 C ATOM 23 CG LEU A 3 4.865 -8.920 0.591 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.796 -9.816 -0.215 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.606 -7.695 1.106 1.00 0.00 C ATOM 0 H LEU A 3 3.655 -9.479 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 3 2.757 -10.402 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.064 -7.922 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.066 -7.786 0.302 1.00 0.00 H new ATOM 0 HG LEU A 3 4.498 -9.490 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.634 -10.125 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.251 -10.697 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.170 -9.268 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.448 -8.011 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.973 -7.110 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.929 -7.084 1.703 1.00 0.00 H new ATOM 37 N SER A 4 0.499 -9.349 -0.030 1.00 0.00 N ATOM 38 CA SER A 4 -0.891 -8.916 -0.114 1.00 0.00 C ATOM 39 C SER A 4 -1.325 -8.232 1.179 1.00 0.00 C ATOM 40 O SER A 4 -1.104 -8.749 2.274 1.00 0.00 O ATOM 41 CB SER A 4 -1.791 -10.097 -0.417 1.00 0.00 C ATOM 42 OG SER A 4 -3.140 -9.725 -0.498 1.00 0.00 O ATOM 0 H SER A 4 0.737 -9.838 0.833 1.00 0.00 H new ATOM 0 HA SER A 4 -0.977 -8.193 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.484 -10.554 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.670 -10.853 0.359 1.00 0.00 H new ATOM 0 HG SER A 4 -3.686 -10.514 -0.696 1.00 0.00 H new ATOM 48 N PHE A 5 -1.946 -7.064 1.043 1.00 0.00 N ATOM 49 CA PHE A 5 -2.465 -6.337 2.196 1.00 0.00 C ATOM 50 C PHE A 5 -3.933 -5.971 1.993 1.00 0.00 C ATOM 51 O PHE A 5 -4.348 -5.620 0.887 1.00 0.00 O ATOM 52 CB PHE A 5 -1.637 -5.077 2.454 1.00 0.00 C ATOM 53 CG PHE A 5 -0.191 -5.353 2.754 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.741 -5.432 1.730 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.239 -5.535 4.060 1.00 0.00 C ATOM 56 CE1 PHE A 5 2.072 -5.686 2.005 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.569 -5.787 4.337 1.00 0.00 C ATOM 58 CZ PHE A 5 2.485 -5.864 3.308 1.00 0.00 C ATOM 0 H PHE A 5 -2.102 -6.602 0.147 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.391 -6.989 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.700 -4.427 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.074 -4.531 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.424 -5.294 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.474 -5.479 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.788 -5.745 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.892 -5.924 5.359 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.524 -6.064 3.523 1.00 0.00 H new ATOM 68 N HIS A 6 -4.712 -6.055 3.065 1.00 0.00 N ATOM 69 CA HIS A 6 -6.104 -5.620 3.036 1.00 0.00 C ATOM 70 C HIS A 6 -6.304 -4.381 3.905 1.00 0.00 C ATOM 71 O HIS A 6 -5.964 -4.378 5.087 1.00 0.00 O ATOM 72 CB HIS A 6 -7.035 -6.744 3.499 1.00 0.00 C ATOM 73 CG HIS A 6 -8.484 -6.366 3.493 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.198 -6.176 2.328 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.351 -6.142 4.508 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.445 -5.853 2.630 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.562 -5.825 3.944 1.00 0.00 N ATOM 0 H HIS A 6 -4.403 -6.421 3.966 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.353 -5.365 2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.892 -7.611 2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.752 -7.046 4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.131 -6.201 5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.233 -5.647 1.921 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.415 -5.604 4.458 1.00 0.00 H new ATOM 84 N VAL A 7 -6.857 -3.329 3.309 1.00 0.00 N ATOM 85 CA VAL A 7 -7.055 -2.068 4.012 1.00 0.00 C ATOM 86 C VAL A 7 -8.523 -1.657 4.003 1.00 0.00 C ATOM 87 O VAL A 7 -9.072 -1.304 2.961 1.00 0.00 O ATOM 88 CB VAL A 7 -6.210 -0.939 3.394 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.420 0.361 4.157 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.737 -1.318 3.386 1.00 0.00 C ATOM 0 H VAL A 7 -7.176 -3.326 2.340 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.733 -2.227 5.041 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.533 -0.792 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.815 1.149 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.472 0.642 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.123 0.225 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.155 -0.508 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.401 -1.492 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.598 -2.226 2.799 1.00 0.00 H new ATOM 100 N GLU A 8 -9.153 -1.707 5.173 1.00 0.00 N ATOM 101 CA GLU A 8 -10.575 -1.399 5.288 1.00 0.00 C ATOM 102 C GLU A 8 -10.836 0.079 5.009 1.00 0.00 C ATOM 103 O GLU A 8 -11.879 0.444 4.472 1.00 0.00 O ATOM 104 CB GLU A 8 -11.095 -1.775 6.678 1.00 0.00 C ATOM 105 CG GLU A 8 -11.225 -3.273 6.916 1.00 0.00 C ATOM 106 CD GLU A 8 -12.388 -3.847 6.156 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.189 -3.087 5.668 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.415 -5.041 5.964 1.00 0.00 O ATOM 0 H GLU A 8 -8.703 -1.957 6.053 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.109 -1.989 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.425 -1.357 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.070 -1.310 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.306 -3.773 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.354 -3.464 7.981 1.00 0.00 H new ATOM 115 N ASP A 9 -9.877 0.921 5.378 1.00 0.00 N ATOM 116 CA ASP A 9 -10.033 2.364 5.235 1.00 0.00 C ATOM 117 C ASP A 9 -10.058 2.765 3.763 1.00 0.00 C ATOM 118 O ASP A 9 -10.598 3.811 3.405 1.00 0.00 O ATOM 119 CB ASP A 9 -8.906 3.102 5.964 1.00 0.00 C ATOM 120 CG ASP A 9 -9.020 3.080 7.482 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.052 2.696 7.976 1.00 0.00 O ATOM 122 OD2 ASP A 9 -8.025 3.295 8.134 1.00 0.00 O ATOM 0 H ASP A 9 -8.985 0.630 5.778 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.985 2.646 5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.952 2.659 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.890 4.139 5.628 1.00 0.00 H new ATOM 127 N MET A 10 -9.471 1.927 2.917 1.00 0.00 N ATOM 128 CA MET A 10 -9.427 2.193 1.483 1.00 0.00 C ATOM 129 C MET A 10 -10.835 2.217 0.893 1.00 0.00 C ATOM 130 O MET A 10 -11.626 1.301 1.113 1.00 0.00 O ATOM 131 CB MET A 10 -8.571 1.146 0.775 1.00 0.00 C ATOM 132 CG MET A 10 -8.334 1.421 -0.704 1.00 0.00 C ATOM 133 SD MET A 10 -7.358 0.132 -1.503 1.00 0.00 S ATOM 134 CE MET A 10 -5.733 0.472 -0.830 1.00 0.00 C ATOM 0 H MET A 10 -9.019 1.057 3.198 1.00 0.00 H new ATOM 0 HA MET A 10 -8.976 3.174 1.331 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.607 1.082 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.050 0.172 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.295 1.511 -1.211 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.824 2.378 -0.814 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.003 -0.198 -1.285 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.459 1.505 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.746 0.316 0.249 1.00 0.00 H new ATOM 144 N THR A 11 -11.138 3.271 0.141 1.00 0.00 N ATOM 145 CA THR A 11 -12.506 3.537 -0.286 1.00 0.00 C ATOM 146 C THR A 11 -12.560 3.897 -1.766 1.00 0.00 C ATOM 147 O THR A 11 -13.412 3.399 -2.505 1.00 0.00 O ATOM 148 CB THR A 11 -13.143 4.674 0.533 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.132 4.328 1.924 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.576 4.917 0.086 1.00 0.00 C ATOM 0 H THR A 11 -10.454 3.954 -0.185 1.00 0.00 H new ATOM 0 HA THR A 11 -13.072 2.621 -0.117 1.00 0.00 H new ATOM 0 HB THR A 11 -12.565 5.584 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.206 4.229 2.229 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.009 5.724 0.677 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.586 5.193 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.161 4.008 0.229 1.00 0.00 H new ATOM 158 N CYS A 12 -11.647 4.761 -2.192 1.00 0.00 N ATOM 159 CA CYS A 12 -11.673 5.292 -3.553 1.00 0.00 C ATOM 160 C CYS A 12 -10.267 5.344 -4.142 1.00 0.00 C ATOM 161 O CYS A 12 -9.286 5.056 -3.460 1.00 0.00 O ATOM 162 CB CYS A 12 -12.229 6.703 -3.356 1.00 0.00 C ATOM 163 SG CYS A 12 -11.202 7.776 -2.324 1.00 0.00 S ATOM 0 H CYS A 12 -10.880 5.110 -1.617 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.262 4.686 -4.242 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.354 7.170 -4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.220 6.630 -2.909 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.761 8.945 -2.223 1.00 0.00 H new ATOM 169 N GLY A 13 -10.180 5.713 -5.416 1.00 0.00 N ATOM 170 CA GLY A 13 -8.898 5.733 -6.096 1.00 0.00 C ATOM 171 C GLY A 13 -7.914 6.690 -5.451 1.00 0.00 C ATOM 172 O GLY A 13 -6.701 6.520 -5.574 1.00 0.00 O ATOM 0 H GLY A 13 -10.974 5.998 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.475 4.728 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.047 6.017 -7.138 1.00 0.00 H new ATOM 176 N HIS A 14 -8.438 7.698 -4.761 1.00 0.00 N ATOM 177 CA HIS A 14 -7.600 8.632 -4.018 1.00 0.00 C ATOM 178 C HIS A 14 -6.850 7.917 -2.898 1.00 0.00 C ATOM 179 O HIS A 14 -5.626 8.013 -2.797 1.00 0.00 O ATOM 180 CB HIS A 14 -8.440 9.776 -3.441 1.00 0.00 C ATOM 181 CG HIS A 14 -7.654 10.738 -2.606 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.801 11.673 -3.152 1.00 0.00 N ATOM 183 CD2 HIS A 14 -7.591 10.909 -1.264 1.00 0.00 C ATOM 184 CE1 HIS A 14 -6.248 12.380 -2.182 1.00 0.00 C ATOM 185 NE2 HIS A 14 -6.710 11.935 -1.027 1.00 0.00 N ATOM 0 H HIS A 14 -9.438 7.889 -4.701 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.871 9.050 -4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.909 10.320 -4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.243 9.356 -2.836 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.132 10.344 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.539 13.184 -2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.454 12.295 -0.108 1.00 0.00 H new ATOM 192 N CYS A 15 -7.590 7.199 -2.062 1.00 0.00 N ATOM 193 CA CYS A 15 -6.997 6.465 -0.948 1.00 0.00 C ATOM 194 C CYS A 15 -6.015 5.413 -1.455 1.00 0.00 C ATOM 195 O CYS A 15 -4.954 5.206 -0.865 1.00 0.00 O ATOM 196 CB CYS A 15 -8.208 5.803 -0.293 1.00 0.00 C ATOM 197 SG CYS A 15 -9.351 6.955 0.506 1.00 0.00 S ATOM 0 H CYS A 15 -8.603 7.109 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.429 7.099 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.752 5.238 -1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.857 5.086 0.449 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.169 7.440 -0.381 1.00 0.00 H new ATOM 203 N ALA A 16 -6.376 4.751 -2.548 1.00 0.00 N ATOM 204 CA ALA A 16 -5.485 3.790 -3.189 1.00 0.00 C ATOM 205 C ALA A 16 -4.231 4.475 -3.722 1.00 0.00 C ATOM 206 O ALA A 16 -3.129 3.941 -3.617 1.00 0.00 O ATOM 207 CB ALA A 16 -6.211 3.066 -4.312 1.00 0.00 C ATOM 0 H ALA A 16 -7.279 4.862 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.178 3.060 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.535 2.352 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.073 2.536 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.547 3.790 -5.054 1.00 0.00 H new ATOM 213 N GLY A 17 -4.409 5.662 -4.295 1.00 0.00 N ATOM 214 CA GLY A 17 -3.284 6.396 -4.843 1.00 0.00 C ATOM 215 C GLY A 17 -2.293 6.821 -3.778 1.00 0.00 C ATOM 216 O GLY A 17 -1.082 6.777 -3.992 1.00 0.00 O ATOM 0 H GLY A 17 -5.312 6.128 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.775 5.776 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.651 7.279 -5.366 1.00 0.00 H new ATOM 220 N VAL A 18 -2.809 7.237 -2.625 1.00 0.00 N ATOM 221 CA VAL A 18 -1.963 7.712 -1.537 1.00 0.00 C ATOM 222 C VAL A 18 -1.085 6.590 -0.992 1.00 0.00 C ATOM 223 O VAL A 18 0.117 6.768 -0.794 1.00 0.00 O ATOM 224 CB VAL A 18 -2.800 8.301 -0.386 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.917 8.595 0.819 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.515 9.564 -0.840 1.00 0.00 C ATOM 0 H VAL A 18 -3.808 7.254 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.330 8.497 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.549 7.565 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.525 9.011 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.447 7.672 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.146 9.313 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.102 9.967 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.780 10.304 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.176 9.328 -1.674 1.00 0.00 H new ATOM 236 N ILE A 19 -1.694 5.434 -0.754 1.00 0.00 N ATOM 237 CA ILE A 19 -0.961 4.270 -0.271 1.00 0.00 C ATOM 238 C ILE A 19 0.040 3.780 -1.311 1.00 0.00 C ATOM 239 O ILE A 19 1.197 3.504 -0.993 1.00 0.00 O ATOM 240 CB ILE A 19 -1.911 3.117 0.099 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.746 3.485 1.329 1.00 0.00 C ATOM 242 CG2 ILE A 19 -1.125 1.839 0.347 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.883 2.529 1.604 1.00 0.00 C ATOM 0 H ILE A 19 -2.693 5.278 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.425 4.585 0.624 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.589 2.945 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.094 3.520 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.152 4.488 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.812 1.034 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.575 1.569 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.423 1.996 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.427 2.856 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.559 2.512 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.485 1.528 1.772 1.00 0.00 H new ATOM 255 N LYS A 20 -0.411 3.677 -2.556 1.00 0.00 N ATOM 256 CA LYS A 20 0.452 3.245 -3.649 1.00 0.00 C ATOM 257 C LYS A 20 1.649 4.178 -3.798 1.00 0.00 C ATOM 258 O LYS A 20 2.785 3.726 -3.944 1.00 0.00 O ATOM 259 CB LYS A 20 -0.335 3.180 -4.959 1.00 0.00 C ATOM 260 CG LYS A 20 0.482 2.725 -6.161 1.00 0.00 C ATOM 261 CD LYS A 20 -0.389 2.588 -7.401 1.00 0.00 C ATOM 262 CE LYS A 20 0.450 2.313 -8.640 1.00 0.00 C ATOM 263 NZ LYS A 20 -0.393 2.073 -9.842 1.00 0.00 N ATOM 0 H LYS A 20 -1.370 3.887 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 20 0.822 2.247 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.178 2.501 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.750 4.166 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.281 3.441 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.957 1.769 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.105 1.779 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.966 3.502 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.112 3.159 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.084 1.445 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.208 1.757 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.099 1.340 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.878 2.954 -10.108 1.00 0.00 H new ATOM 277 N GLY A 21 1.389 5.481 -3.760 1.00 0.00 N ATOM 278 CA GLY A 21 2.456 6.455 -3.889 1.00 0.00 C ATOM 279 C GLY A 21 3.407 6.430 -2.708 1.00 0.00 C ATOM 280 O GLY A 21 4.620 6.549 -2.878 1.00 0.00 O ATOM 0 H GLY A 21 0.457 5.879 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.013 6.260 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.025 7.452 -3.984 1.00 0.00 H new ATOM 284 N ALA A 22 2.855 6.279 -1.509 1.00 0.00 N ATOM 285 CA ALA A 22 3.658 6.292 -0.292 1.00 0.00 C ATOM 286 C ALA A 22 4.664 5.147 -0.284 1.00 0.00 C ATOM 287 O ALA A 22 5.827 5.333 0.078 1.00 0.00 O ATOM 288 CB ALA A 22 2.759 6.215 0.933 1.00 0.00 C ATOM 0 H ALA A 22 1.856 6.146 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 22 4.214 7.229 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.371 6.226 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.084 7.070 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.177 5.294 0.900 1.00 0.00 H new ATOM 294 N ILE A 23 4.211 3.965 -0.685 1.00 0.00 N ATOM 295 CA ILE A 23 5.083 2.799 -0.762 1.00 0.00 C ATOM 296 C ILE A 23 6.129 2.965 -1.859 1.00 0.00 C ATOM 297 O ILE A 23 7.308 2.680 -1.655 1.00 0.00 O ATOM 298 CB ILE A 23 4.281 1.510 -1.019 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.422 1.164 0.201 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.217 0.361 -1.359 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.398 0.083 -0.061 1.00 0.00 C ATOM 0 H ILE A 23 3.245 3.789 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 23 5.584 2.716 0.203 1.00 0.00 H new ATOM 0 HB ILE A 23 3.619 1.676 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.074 0.845 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.908 2.064 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.634 -0.542 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.786 0.609 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.902 0.192 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.829 -0.107 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.721 0.407 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.905 -0.831 -0.369 1.00 0.00 H new ATOM 313 N GLU A 24 5.687 3.430 -3.024 1.00 0.00 N ATOM 314 CA GLU A 24 6.587 3.642 -4.151 1.00 0.00 C ATOM 315 C GLU A 24 7.698 4.621 -3.785 1.00 0.00 C ATOM 316 O GLU A 24 8.866 4.400 -4.104 1.00 0.00 O ATOM 317 CB GLU A 24 5.812 4.152 -5.368 1.00 0.00 C ATOM 318 CG GLU A 24 6.662 4.363 -6.612 1.00 0.00 C ATOM 319 CD GLU A 24 5.829 4.840 -7.770 1.00 0.00 C ATOM 320 OE1 GLU A 24 4.642 4.983 -7.604 1.00 0.00 O ATOM 321 OE2 GLU A 24 6.394 5.169 -8.787 1.00 0.00 O ATOM 0 H GLU A 24 4.713 3.667 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 24 7.043 2.685 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.018 3.442 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.330 5.095 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.445 5.091 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.158 3.430 -6.878 1.00 0.00 H new ATOM 328 N LYS A 25 7.326 5.704 -3.113 1.00 0.00 N ATOM 329 CA LYS A 25 8.268 6.773 -2.799 1.00 0.00 C ATOM 330 C LYS A 25 9.188 6.367 -1.652 1.00 0.00 C ATOM 331 O LYS A 25 10.389 6.638 -1.680 1.00 0.00 O ATOM 332 CB LYS A 25 7.522 8.061 -2.448 1.00 0.00 C ATOM 333 CG LYS A 25 6.839 8.734 -3.630 1.00 0.00 C ATOM 334 CD LYS A 25 6.107 9.998 -3.201 1.00 0.00 C ATOM 335 CE LYS A 25 5.382 10.644 -4.372 1.00 0.00 C ATOM 336 NZ LYS A 25 4.651 11.874 -3.964 1.00 0.00 N ATOM 0 H LYS A 25 6.378 5.866 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 25 8.880 6.954 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.772 7.837 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.226 8.764 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.581 8.981 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.134 8.041 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.390 9.757 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.819 10.706 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.102 10.892 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.679 9.930 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.171 12.283 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.946 11.634 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.324 12.566 -3.577 1.00 0.00 H new ATOM 350 N THR A 26 8.619 5.716 -0.643 1.00 0.00 N ATOM 351 CA THR A 26 9.343 5.429 0.588 1.00 0.00 C ATOM 352 C THR A 26 10.305 4.260 0.401 1.00 0.00 C ATOM 353 O THR A 26 11.326 4.168 1.082 1.00 0.00 O ATOM 354 CB THR A 26 8.381 5.109 1.747 1.00 0.00 C ATOM 355 OG1 THR A 26 7.550 6.246 2.010 1.00 0.00 O ATOM 356 CG2 THR A 26 9.161 4.754 3.004 1.00 0.00 C ATOM 0 H THR A 26 7.657 5.377 -0.655 1.00 0.00 H new ATOM 0 HA THR A 26 9.910 6.326 0.836 1.00 0.00 H new ATOM 0 HB THR A 26 7.763 4.258 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.757 6.212 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.465 4.531 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.785 3.881 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.792 5.595 3.290 1.00 0.00 H new ATOM 364 N VAL A 27 9.973 3.369 -0.528 1.00 0.00 N ATOM 365 CA VAL A 27 10.829 2.230 -0.836 1.00 0.00 C ATOM 366 C VAL A 27 11.335 2.295 -2.273 1.00 0.00 C ATOM 367 O VAL A 27 10.577 2.147 -3.231 1.00 0.00 O ATOM 368 CB VAL A 27 10.091 0.896 -0.619 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.994 -0.275 -0.979 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.614 0.777 0.820 1.00 0.00 C ATOM 0 H VAL A 27 9.117 3.414 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 27 11.678 2.279 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 27 9.219 0.875 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.458 -1.210 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.289 -0.199 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.884 -0.255 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.095 -0.172 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.471 0.820 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.934 1.598 1.047 1.00 0.00 H new ATOM 380 N PRO A 28 12.649 2.521 -2.428 1.00 0.00 N ATOM 381 CA PRO A 28 13.294 2.566 -3.743 1.00 0.00 C ATOM 382 C PRO A 28 13.041 1.302 -4.557 1.00 0.00 C ATOM 383 O PRO A 28 13.343 0.195 -4.112 1.00 0.00 O ATOM 384 CB PRO A 28 14.780 2.747 -3.418 1.00 0.00 C ATOM 385 CG PRO A 28 14.791 3.393 -2.075 1.00 0.00 C ATOM 386 CD PRO A 28 13.625 2.796 -1.335 1.00 0.00 C ATOM 0 HA PRO A 28 12.900 3.369 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.303 1.791 -3.403 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.276 3.370 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.728 3.199 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.691 4.475 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.905 1.886 -0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.220 3.485 -0.594 1.00 0.00 H new ATOM 394 N GLY A 29 12.486 1.475 -5.752 1.00 0.00 N ATOM 395 CA GLY A 29 12.310 0.353 -6.657 1.00 0.00 C ATOM 396 C GLY A 29 11.234 -0.605 -6.191 1.00 0.00 C ATOM 397 O GLY A 29 11.245 -1.783 -6.547 1.00 0.00 O ATOM 0 H GLY A 29 12.155 2.371 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.054 0.727 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.254 -0.184 -6.752 1.00 0.00 H new ATOM 401 N ALA A 30 10.301 -0.101 -5.391 1.00 0.00 N ATOM 402 CA ALA A 30 9.207 -0.919 -4.881 1.00 0.00 C ATOM 403 C ALA A 30 8.159 -1.168 -5.959 1.00 0.00 C ATOM 404 O ALA A 30 7.790 -0.259 -6.703 1.00 0.00 O ATOM 405 CB ALA A 30 8.571 -0.254 -3.669 1.00 0.00 C ATOM 0 H ALA A 30 10.280 0.871 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 30 9.617 -1.883 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.756 -0.876 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.319 -0.133 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.182 0.724 -3.953 1.00 0.00 H new ATOM 411 N ALA A 31 7.682 -2.406 -6.041 1.00 0.00 N ATOM 412 CA ALA A 31 6.531 -2.730 -6.874 1.00 0.00 C ATOM 413 C ALA A 31 5.243 -2.721 -6.057 1.00 0.00 C ATOM 414 O ALA A 31 5.030 -3.584 -5.206 1.00 0.00 O ATOM 415 CB ALA A 31 6.725 -4.082 -7.543 1.00 0.00 C ATOM 0 H ALA A 31 8.076 -3.202 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 31 6.447 -1.965 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.857 -4.310 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.618 -4.054 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.839 -4.852 -6.780 1.00 0.00 H new ATOM 421 N VAL A 32 4.387 -1.739 -6.321 1.00 0.00 N ATOM 422 CA VAL A 32 3.151 -1.579 -5.564 1.00 0.00 C ATOM 423 C VAL A 32 2.004 -1.141 -6.469 1.00 0.00 C ATOM 424 O VAL A 32 2.149 -0.216 -7.268 1.00 0.00 O ATOM 425 CB VAL A 32 3.314 -0.553 -4.427 1.00 0.00 C ATOM 426 CG1 VAL A 32 3.750 0.795 -4.983 1.00 0.00 C ATOM 427 CG2 VAL A 32 2.017 -0.411 -3.645 1.00 0.00 C ATOM 0 H VAL A 32 4.527 -1.043 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 32 2.919 -2.552 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 32 4.087 -0.913 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.860 1.507 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.704 0.684 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.999 1.160 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.152 0.318 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.224 -0.075 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.744 -1.375 -3.215 1.00 0.00 H new ATOM 437 N HIS A 33 0.866 -1.813 -6.339 1.00 0.00 N ATOM 438 CA HIS A 33 -0.368 -1.357 -6.968 1.00 0.00 C ATOM 439 C HIS A 33 -1.570 -1.626 -6.069 1.00 0.00 C ATOM 440 O HIS A 33 -1.787 -2.755 -5.629 1.00 0.00 O ATOM 441 CB HIS A 33 -0.566 -2.034 -8.329 1.00 0.00 C ATOM 442 CG HIS A 33 -1.820 -1.616 -9.031 1.00 0.00 C ATOM 443 ND1 HIS A 33 -1.966 -0.376 -9.618 1.00 0.00 N ATOM 444 CD2 HIS A 33 -2.985 -2.272 -9.242 1.00 0.00 C ATOM 445 CE1 HIS A 33 -3.169 -0.288 -10.160 1.00 0.00 C ATOM 446 NE2 HIS A 33 -3.806 -1.424 -9.945 1.00 0.00 N ATOM 0 H HIS A 33 0.772 -2.676 -5.803 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.286 -0.281 -7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.289 -1.807 -8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.581 -3.115 -8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.224 -3.274 -8.918 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.563 0.567 -10.688 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.755 -1.638 -10.252 1.00 0.00 H new ATOM 453 N ALA A 34 -2.347 -0.583 -5.798 1.00 0.00 N ATOM 454 CA ALA A 34 -3.482 -0.690 -4.890 1.00 0.00 C ATOM 455 C ALA A 34 -4.798 -0.734 -5.659 1.00 0.00 C ATOM 456 O ALA A 34 -4.942 -0.090 -6.698 1.00 0.00 O ATOM 457 CB ALA A 34 -3.482 0.469 -3.905 1.00 0.00 C ATOM 0 H ALA A 34 -2.211 0.347 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.385 -1.623 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.335 0.376 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.560 0.453 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.551 1.410 -4.451 1.00 0.00 H new ATOM 463 N ASP A 35 -5.754 -1.498 -5.143 1.00 0.00 N ATOM 464 CA ASP A 35 -7.065 -1.611 -5.773 1.00 0.00 C ATOM 465 C ASP A 35 -8.176 -1.321 -4.769 1.00 0.00 C ATOM 466 O ASP A 35 -8.428 -2.093 -3.842 1.00 0.00 O ATOM 467 CB ASP A 35 -7.252 -3.004 -6.380 1.00 0.00 C ATOM 468 CG ASP A 35 -8.572 -3.197 -7.114 1.00 0.00 C ATOM 469 OD1 ASP A 35 -9.377 -2.297 -7.096 1.00 0.00 O ATOM 470 OD2 ASP A 35 -8.701 -4.172 -7.815 1.00 0.00 O ATOM 0 H ASP A 35 -5.646 -2.048 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.120 -0.871 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.433 -3.198 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.180 -3.746 -5.585 1.00 0.00 H new ATOM 475 N PRO A 36 -8.859 -0.181 -4.954 1.00 0.00 N ATOM 476 CA PRO A 36 -9.908 0.271 -4.036 1.00 0.00 C ATOM 477 C PRO A 36 -11.207 -0.510 -4.208 1.00 0.00 C ATOM 478 O PRO A 36 -12.060 -0.516 -3.323 1.00 0.00 O ATOM 479 CB PRO A 36 -10.086 1.753 -4.381 1.00 0.00 C ATOM 480 CG PRO A 36 -9.704 1.849 -5.819 1.00 0.00 C ATOM 481 CD PRO A 36 -8.587 0.856 -6.001 1.00 0.00 C ATOM 0 HA PRO A 36 -9.635 0.112 -2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.114 2.077 -4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.452 2.385 -3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.549 1.614 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.379 2.858 -6.073 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.593 0.425 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.611 1.321 -5.860 1.00 0.00 H new ATOM 489 N ALA A 37 -11.347 -1.168 -5.354 1.00 0.00 N ATOM 490 CA ALA A 37 -12.525 -1.981 -5.628 1.00 0.00 C ATOM 491 C ALA A 37 -12.587 -3.188 -4.698 1.00 0.00 C ATOM 492 O ALA A 37 -13.661 -3.572 -4.235 1.00 0.00 O ATOM 493 CB ALA A 37 -12.530 -2.432 -7.082 1.00 0.00 C ATOM 0 H ALA A 37 -10.659 -1.154 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.408 -1.369 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.416 -3.038 -7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.542 -1.558 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.636 -3.023 -7.283 1.00 0.00 H new ATOM 499 N SER A 38 -11.430 -3.784 -4.433 1.00 0.00 N ATOM 500 CA SER A 38 -11.336 -4.878 -3.473 1.00 0.00 C ATOM 501 C SER A 38 -10.809 -4.380 -2.129 1.00 0.00 C ATOM 502 O SER A 38 -10.822 -5.108 -1.137 1.00 0.00 O ATOM 503 CB SER A 38 -10.445 -5.977 -4.017 1.00 0.00 C ATOM 504 OG SER A 38 -9.174 -5.501 -4.365 1.00 0.00 O ATOM 0 H SER A 38 -10.544 -3.528 -4.869 1.00 0.00 H new ATOM 0 HA SER A 38 -12.336 -5.282 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.345 -6.765 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.916 -6.425 -4.892 1.00 0.00 H new ATOM 0 HG SER A 38 -8.647 -6.230 -4.754 1.00 0.00 H new ATOM 510 N ARG A 39 -10.347 -3.134 -2.109 1.00 0.00 N ATOM 511 CA ARG A 39 -9.818 -2.538 -0.888 1.00 0.00 C ATOM 512 C ARG A 39 -8.548 -3.256 -0.439 1.00 0.00 C ATOM 513 O ARG A 39 -8.334 -3.473 0.755 1.00 0.00 O ATOM 514 CB ARG A 39 -10.855 -2.484 0.224 1.00 0.00 C ATOM 515 CG ARG A 39 -12.100 -1.673 -0.101 1.00 0.00 C ATOM 516 CD ARG A 39 -13.110 -1.638 0.987 1.00 0.00 C ATOM 517 NE ARG A 39 -14.373 -1.021 0.618 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.445 -0.926 1.430 1.00 0.00 C ATOM 519 NH1 ARG A 39 -15.425 -1.438 2.640 1.00 0.00 N ATOM 520 NH2 ARG A 39 -16.526 -0.324 0.967 1.00 0.00 N ATOM 0 H ARG A 39 -10.328 -2.519 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.558 -1.505 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.156 -3.502 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.389 -2.065 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.802 -0.651 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.563 -2.085 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.302 -2.658 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.691 -1.099 1.837 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.454 -0.632 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.590 -1.916 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.245 -1.357 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.533 0.053 0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.353 -0.236 1.557 1.00 0.00 H new ATOM 534 N THR A 40 -7.708 -3.620 -1.402 1.00 0.00 N ATOM 535 CA THR A 40 -6.491 -4.366 -1.112 1.00 0.00 C ATOM 536 C THR A 40 -5.277 -3.717 -1.770 1.00 0.00 C ATOM 537 O THR A 40 -5.417 -2.836 -2.618 1.00 0.00 O ATOM 538 CB THR A 40 -6.599 -5.828 -1.584 1.00 0.00 C ATOM 539 OG1 THR A 40 -6.769 -5.862 -3.007 1.00 0.00 O ATOM 540 CG2 THR A 40 -7.782 -6.516 -0.920 1.00 0.00 C ATOM 0 H THR A 40 -7.849 -3.410 -2.390 1.00 0.00 H new ATOM 0 HA THR A 40 -6.364 -4.352 -0.030 1.00 0.00 H new ATOM 0 HB THR A 40 -5.684 -6.352 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.694 -5.629 -3.232 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.843 -7.548 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.651 -6.502 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.701 -5.991 -1.180 1.00 0.00 H new ATOM 548 N VAL A 41 -4.088 -4.161 -1.374 1.00 0.00 N ATOM 549 CA VAL A 41 -2.856 -3.719 -2.018 1.00 0.00 C ATOM 550 C VAL A 41 -2.037 -4.908 -2.510 1.00 0.00 C ATOM 551 O VAL A 41 -1.788 -5.855 -1.764 1.00 0.00 O ATOM 552 CB VAL A 41 -1.993 -2.871 -1.066 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.747 -2.369 -1.782 1.00 0.00 C ATOM 554 CG2 VAL A 41 -2.797 -1.703 -0.514 1.00 0.00 C ATOM 0 H VAL A 41 -3.952 -4.825 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.148 -3.105 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.682 -3.499 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.148 -1.771 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.160 -3.219 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.039 -1.757 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.171 -1.115 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.137 -1.074 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.660 -2.082 0.034 1.00 0.00 H new ATOM 564 N VAL A 42 -1.621 -4.850 -3.769 1.00 0.00 N ATOM 565 CA VAL A 42 -0.782 -5.895 -4.346 1.00 0.00 C ATOM 566 C VAL A 42 0.674 -5.449 -4.428 1.00 0.00 C ATOM 567 O VAL A 42 0.995 -4.461 -5.088 1.00 0.00 O ATOM 568 CB VAL A 42 -1.267 -6.297 -5.752 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.357 -7.362 -6.345 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.703 -6.794 -5.699 1.00 0.00 C ATOM 0 H VAL A 42 -1.850 -4.091 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.857 -6.759 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.231 -5.416 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.714 -7.634 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.659 -6.973 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.362 -8.243 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.029 -7.073 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.764 -7.662 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.348 -6.003 -5.315 1.00 0.00 H new ATOM 580 N VAL A 43 1.551 -6.184 -3.752 1.00 0.00 N ATOM 581 CA VAL A 43 2.925 -5.741 -3.550 1.00 0.00 C ATOM 582 C VAL A 43 3.918 -6.777 -4.064 1.00 0.00 C ATOM 583 O VAL A 43 3.836 -7.956 -3.719 1.00 0.00 O ATOM 584 CB VAL A 43 3.215 -5.458 -2.064 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.668 -5.052 -1.873 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.286 -4.375 -1.537 1.00 0.00 C ATOM 0 H VAL A 43 1.334 -7.089 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 43 3.044 -4.817 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 43 3.035 -6.372 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.855 -4.856 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.319 -5.858 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.873 -4.151 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.505 -4.188 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.435 -3.458 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.251 -4.702 -1.640 1.00 0.00 H new ATOM 596 N GLY A 44 4.857 -6.329 -4.893 1.00 0.00 N ATOM 597 CA GLY A 44 5.900 -7.215 -5.380 1.00 0.00 C ATOM 598 C GLY A 44 7.182 -7.095 -4.581 1.00 0.00 C ATOM 599 O GLY A 44 7.149 -6.964 -3.357 1.00 0.00 O ATOM 0 H GLY A 44 4.914 -5.370 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.546 -8.245 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.105 -6.989 -6.426 1.00 0.00 H new ATOM 603 N GLY A 45 8.315 -7.146 -5.273 1.00 0.00 N ATOM 604 CA GLY A 45 9.597 -6.992 -4.609 1.00 0.00 C ATOM 605 C GLY A 45 9.693 -5.695 -3.828 1.00 0.00 C ATOM 606 O GLY A 45 9.661 -4.609 -4.407 1.00 0.00 O ATOM 0 H GLY A 45 8.369 -7.291 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.756 -7.832 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.394 -7.025 -5.352 1.00 0.00 H new ATOM 610 N VAL A 46 9.808 -5.809 -2.508 1.00 0.00 N ATOM 611 CA VAL A 46 9.895 -4.636 -1.645 1.00 0.00 C ATOM 612 C VAL A 46 10.747 -4.923 -0.413 1.00 0.00 C ATOM 613 O VAL A 46 11.180 -6.053 -0.195 1.00 0.00 O ATOM 614 CB VAL A 46 8.501 -4.161 -1.195 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.699 -3.659 -2.387 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.757 -5.285 -0.489 1.00 0.00 C ATOM 0 H VAL A 46 9.843 -6.700 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 46 10.364 -3.846 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 46 8.628 -3.337 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.717 -3.327 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.224 -2.825 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.582 -4.465 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.774 -4.931 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.641 -6.128 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.323 -5.602 0.387 1.00 0.00 H new ATOM 626 N SER A 47 10.985 -3.890 0.388 1.00 0.00 N ATOM 627 CA SER A 47 11.610 -4.062 1.693 1.00 0.00 C ATOM 628 C SER A 47 10.670 -4.785 2.655 1.00 0.00 C ATOM 629 O SER A 47 9.536 -5.110 2.304 1.00 0.00 O ATOM 630 CB SER A 47 12.018 -2.716 2.260 1.00 0.00 C ATOM 631 OG SER A 47 10.909 -1.931 2.603 1.00 0.00 O ATOM 0 H SER A 47 10.754 -2.924 0.155 1.00 0.00 H new ATOM 0 HA SER A 47 12.503 -4.675 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.641 -2.868 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.626 -2.184 1.528 1.00 0.00 H new ATOM 0 HG SER A 47 11.150 -1.327 3.336 1.00 0.00 H new ATOM 637 N ASP A 48 11.153 -5.035 3.867 1.00 0.00 N ATOM 638 CA ASP A 48 10.409 -5.832 4.836 1.00 0.00 C ATOM 639 C ASP A 48 8.917 -5.524 4.762 1.00 0.00 C ATOM 640 O ASP A 48 8.510 -4.363 4.796 1.00 0.00 O ATOM 641 CB ASP A 48 10.931 -5.581 6.252 1.00 0.00 C ATOM 642 CG ASP A 48 10.250 -6.412 7.331 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.315 -7.110 7.014 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.760 -6.465 8.423 1.00 0.00 O ATOM 0 H ASP A 48 12.056 -4.698 4.202 1.00 0.00 H new ATOM 0 HA ASP A 48 10.555 -6.884 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.001 -5.787 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.805 -4.525 6.490 1.00 0.00 H new ATOM 649 N ALA A 49 8.106 -6.573 4.657 1.00 0.00 N ATOM 650 CA ALA A 49 6.659 -6.415 4.587 1.00 0.00 C ATOM 651 C ALA A 49 6.139 -5.592 5.762 1.00 0.00 C ATOM 652 O ALA A 49 5.170 -4.844 5.627 1.00 0.00 O ATOM 653 CB ALA A 49 5.981 -7.777 4.552 1.00 0.00 C ATOM 0 H ALA A 49 8.427 -7.540 4.619 1.00 0.00 H new ATOM 0 HA ALA A 49 6.420 -5.879 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.900 -7.644 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.321 -8.330 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.235 -8.333 5.454 1.00 0.00 H new ATOM 659 N ALA A 50 6.787 -5.737 6.912 1.00 0.00 N ATOM 660 CA ALA A 50 6.447 -4.942 8.086 1.00 0.00 C ATOM 661 C ALA A 50 6.607 -3.452 7.804 1.00 0.00 C ATOM 662 O ALA A 50 5.797 -2.636 8.243 1.00 0.00 O ATOM 663 CB ALA A 50 7.309 -5.352 9.269 1.00 0.00 C ATOM 0 H ALA A 50 7.551 -6.398 7.057 1.00 0.00 H new ATOM 0 HA ALA A 50 5.401 -5.129 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.044 -4.750 10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.142 -6.406 9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.360 -5.195 9.025 1.00 0.00 H new ATOM 669 N HIS A 51 7.658 -3.103 7.069 1.00 0.00 N ATOM 670 CA HIS A 51 7.876 -1.722 6.652 1.00 0.00 C ATOM 671 C HIS A 51 6.731 -1.234 5.770 1.00 0.00 C ATOM 672 O HIS A 51 6.282 -0.094 5.894 1.00 0.00 O ATOM 673 CB HIS A 51 9.208 -1.582 5.909 1.00 0.00 C ATOM 674 CG HIS A 51 9.570 -0.165 5.585 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.466 0.164 4.590 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.157 1.006 6.123 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.588 1.479 4.530 1.00 0.00 C ATOM 678 NE2 HIS A 51 9.805 2.012 5.449 1.00 0.00 N ATOM 0 H HIS A 51 8.372 -3.757 6.750 1.00 0.00 H new ATOM 0 HA HIS A 51 7.911 -1.104 7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.000 -2.021 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.160 -2.156 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.450 1.127 6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.221 2.024 3.845 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.698 3.010 5.630 1.00 0.00 H new ATOM 685 N ILE A 52 6.264 -2.103 4.879 1.00 0.00 N ATOM 686 CA ILE A 52 5.185 -1.755 3.964 1.00 0.00 C ATOM 687 C ILE A 52 3.899 -1.445 4.724 1.00 0.00 C ATOM 688 O ILE A 52 3.179 -0.504 4.388 1.00 0.00 O ATOM 689 CB ILE A 52 4.916 -2.883 2.953 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.153 -3.129 2.084 1.00 0.00 C ATOM 691 CG2 ILE A 52 3.711 -2.546 2.087 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.569 -1.930 1.263 1.00 0.00 C ATOM 0 H ILE A 52 6.617 -3.054 4.772 1.00 0.00 H new ATOM 0 HA ILE A 52 5.506 -0.866 3.421 1.00 0.00 H new ATOM 0 HB ILE A 52 4.697 -3.797 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.983 -3.424 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.954 -3.965 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.535 -3.355 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.832 -2.421 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.901 -1.621 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.451 -2.181 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.756 -1.646 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.800 -1.097 1.927 1.00 0.00 H new ATOM 704 N ALA A 53 3.617 -2.242 5.749 1.00 0.00 N ATOM 705 CA ALA A 53 2.461 -2.005 6.606 1.00 0.00 C ATOM 706 C ALA A 53 2.605 -0.694 7.371 1.00 0.00 C ATOM 707 O ALA A 53 1.630 0.033 7.564 1.00 0.00 O ATOM 708 CB ALA A 53 2.275 -3.166 7.572 1.00 0.00 C ATOM 0 H ALA A 53 4.173 -3.058 6.007 1.00 0.00 H new ATOM 0 HA ALA A 53 1.578 -1.929 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.409 -2.977 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.118 -4.086 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.164 -3.268 8.194 1.00 0.00 H new ATOM 714 N GLU A 54 3.825 -0.399 7.807 1.00 0.00 N ATOM 715 CA GLU A 54 4.110 0.860 8.485 1.00 0.00 C ATOM 716 C GLU A 54 3.929 2.042 7.537 1.00 0.00 C ATOM 717 O GLU A 54 3.496 3.119 7.947 1.00 0.00 O ATOM 718 CB GLU A 54 5.529 0.853 9.057 1.00 0.00 C ATOM 719 CG GLU A 54 5.712 -0.038 10.277 1.00 0.00 C ATOM 720 CD GLU A 54 7.153 -0.093 10.703 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.975 0.476 10.026 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.419 -0.607 11.765 1.00 0.00 O ATOM 0 H GLU A 54 4.632 -1.014 7.703 1.00 0.00 H new ATOM 0 HA GLU A 54 3.402 0.968 9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.220 0.528 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.805 1.873 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.102 0.337 11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.359 -1.044 10.051 1.00 0.00 H new ATOM 729 N ILE A 55 4.262 1.831 6.268 1.00 0.00 N ATOM 730 CA ILE A 55 4.074 2.857 5.250 1.00 0.00 C ATOM 731 C ILE A 55 2.594 3.150 5.030 1.00 0.00 C ATOM 732 O ILE A 55 2.197 4.303 4.865 1.00 0.00 O ATOM 733 CB ILE A 55 4.712 2.447 3.910 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.239 2.446 4.024 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.259 3.379 2.797 1.00 0.00 C ATOM 736 CD1 ILE A 55 6.938 1.779 2.861 1.00 0.00 C ATOM 0 H ILE A 55 4.663 0.960 5.921 1.00 0.00 H new ATOM 0 HA ILE A 55 4.568 3.757 5.616 1.00 0.00 H new ATOM 0 HB ILE A 55 4.384 1.437 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.589 3.475 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.525 1.940 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.720 3.074 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.174 3.331 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.558 4.400 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.017 1.818 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.619 0.739 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.683 2.298 1.937 1.00 0.00 H new ATOM 748 N ILE A 56 1.782 2.098 5.032 1.00 0.00 N ATOM 749 CA ILE A 56 0.335 2.250 4.954 1.00 0.00 C ATOM 750 C ILE A 56 -0.195 3.079 6.119 1.00 0.00 C ATOM 751 O ILE A 56 -1.081 3.917 5.950 1.00 0.00 O ATOM 752 CB ILE A 56 -0.377 0.885 4.940 1.00 0.00 C ATOM 753 CG1 ILE A 56 -0.055 0.128 3.648 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.879 1.066 5.095 1.00 0.00 C ATOM 755 CD1 ILE A 56 -0.473 -1.324 3.672 1.00 0.00 C ATOM 0 H ILE A 56 2.102 1.131 5.087 1.00 0.00 H new ATOM 0 HA ILE A 56 0.123 2.768 4.018 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.015 0.297 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.550 0.625 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.018 0.185 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.366 0.091 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.090 1.565 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.259 1.672 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.212 -1.793 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.041 -1.837 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.550 -1.390 3.826 1.00 0.00 H new ATOM 767 N THR A 57 0.356 2.840 7.307 1.00 0.00 N ATOM 768 CA THR A 57 0.064 3.673 8.467 1.00 0.00 C ATOM 769 C THR A 57 0.556 5.101 8.255 1.00 0.00 C ATOM 770 O THR A 57 -0.113 6.060 8.638 1.00 0.00 O ATOM 771 CB THR A 57 0.703 3.104 9.747 1.00 0.00 C ATOM 772 OG1 THR A 57 0.158 1.808 10.020 1.00 0.00 O ATOM 773 CG2 THR A 57 0.437 4.023 10.929 1.00 0.00 C ATOM 0 H THR A 57 1.007 2.076 7.490 1.00 0.00 H new ATOM 0 HA THR A 57 -1.019 3.678 8.586 1.00 0.00 H new ATOM 0 HB THR A 57 1.780 3.027 9.596 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.567 1.446 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.896 3.605 11.825 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.862 5.006 10.728 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.638 4.117 11.082 1.00 0.00 H new ATOM 781 N ALA A 58 1.727 5.234 7.640 1.00 0.00 N ATOM 782 CA ALA A 58 2.275 6.545 7.316 1.00 0.00 C ATOM 783 C ALA A 58 1.401 7.268 6.295 1.00 0.00 C ATOM 784 O ALA A 58 1.397 8.497 6.229 1.00 0.00 O ATOM 785 CB ALA A 58 3.697 6.409 6.793 1.00 0.00 C ATOM 0 H ALA A 58 2.314 4.450 7.356 1.00 0.00 H new ATOM 0 HA ALA A 58 2.291 7.140 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.093 7.396 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.321 5.941 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.697 5.792 5.894 1.00 0.00 H new ATOM 791 N ALA A 59 0.663 6.498 5.503 1.00 0.00 N ATOM 792 CA ALA A 59 -0.284 7.065 4.553 1.00 0.00 C ATOM 793 C ALA A 59 -1.581 7.468 5.245 1.00 0.00 C ATOM 794 O ALA A 59 -2.457 8.082 4.636 1.00 0.00 O ATOM 795 CB ALA A 59 -0.566 6.074 3.432 1.00 0.00 C ATOM 0 H ALA A 59 0.703 5.479 5.501 1.00 0.00 H new ATOM 0 HA ALA A 59 0.162 7.963 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.275 6.511 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.363 5.840 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.987 5.160 3.851 1.00 0.00 H new ATOM 801 N GLY A 60 -1.700 7.118 6.521 1.00 0.00 N ATOM 802 CA GLY A 60 -2.850 7.534 7.303 1.00 0.00 C ATOM 803 C GLY A 60 -3.977 6.523 7.258 1.00 0.00 C ATOM 804 O GLY A 60 -5.112 6.830 7.627 1.00 0.00 O ATOM 0 H GLY A 60 -1.020 6.553 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.545 7.688 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.211 8.493 6.931 1.00 0.00 H new ATOM 808 N TYR A 61 -3.668 5.313 6.807 1.00 0.00 N ATOM 809 CA TYR A 61 -4.671 4.262 6.684 1.00 0.00 C ATOM 810 C TYR A 61 -4.309 3.058 7.549 1.00 0.00 C ATOM 811 O TYR A 61 -3.133 2.736 7.724 1.00 0.00 O ATOM 812 CB TYR A 61 -4.825 3.835 5.223 1.00 0.00 C ATOM 813 CG TYR A 61 -5.235 4.957 4.295 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.571 5.285 4.125 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.285 5.683 3.592 1.00 0.00 C ATOM 816 CE1 TYR A 61 -6.952 6.309 3.279 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.655 6.709 2.744 1.00 0.00 C ATOM 818 CZ TYR A 61 -5.990 7.019 2.590 1.00 0.00 C ATOM 819 OH TYR A 61 -6.365 8.039 1.746 1.00 0.00 O ATOM 0 H TYR A 61 -2.729 5.035 6.520 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.622 4.663 7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.880 3.417 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.567 3.039 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.326 4.731 4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.239 5.442 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.997 6.552 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.903 7.265 2.205 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.270 7.870 1.411 1.00 0.00 H new ATOM 829 N THR A 62 -5.329 2.396 8.088 1.00 0.00 N ATOM 830 CA THR A 62 -5.118 1.253 8.967 1.00 0.00 C ATOM 831 C THR A 62 -5.530 -0.046 8.284 1.00 0.00 C ATOM 832 O THR A 62 -6.701 -0.268 7.974 1.00 0.00 O ATOM 833 CB THR A 62 -5.901 1.400 10.284 1.00 0.00 C ATOM 834 OG1 THR A 62 -5.456 2.574 10.978 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.690 0.183 11.170 1.00 0.00 C ATOM 0 H THR A 62 -6.309 2.632 7.931 1.00 0.00 H new ATOM 0 HA THR A 62 -4.052 1.221 9.193 1.00 0.00 H new ATOM 0 HB THR A 62 -6.962 1.486 10.050 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.956 2.668 11.816 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.251 0.306 12.096 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.038 -0.710 10.650 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.629 0.080 11.400 1.00 0.00 H new ATOM 843 N PRO A 63 -4.548 -0.929 8.047 1.00 0.00 N ATOM 844 CA PRO A 63 -4.794 -2.247 7.453 1.00 0.00 C ATOM 845 C PRO A 63 -5.449 -3.211 8.436 1.00 0.00 C ATOM 846 O PRO A 63 -5.311 -3.062 9.650 1.00 0.00 O ATOM 847 CB PRO A 63 -3.402 -2.726 7.029 1.00 0.00 C ATOM 848 CG PRO A 63 -2.475 -2.082 8.002 1.00 0.00 C ATOM 849 CD PRO A 63 -3.077 -0.734 8.296 1.00 0.00 C ATOM 0 HA PRO A 63 -5.493 -2.197 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.327 -3.813 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.174 -2.428 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.383 -2.678 8.910 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.474 -1.982 7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.884 -0.426 9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.662 0.038 7.649 1.00 0.00 H new ATOM 857 N GLU A 64 -6.161 -4.198 7.904 1.00 0.00 N ATOM 858 CA GLU A 64 -6.855 -5.174 8.737 1.00 0.00 C ATOM 859 C GLU A 64 -7.314 -6.370 7.907 1.00 0.00 C ATOM 860 O GLU A 64 -8.498 -6.704 7.883 1.00 0.00 O ATOM 861 CB GLU A 64 -8.053 -4.528 9.438 1.00 0.00 C ATOM 862 CG GLU A 64 -8.791 -5.449 10.399 1.00 0.00 C ATOM 863 CD GLU A 64 -9.929 -4.734 11.073 1.00 0.00 C ATOM 864 OE1 GLU A 64 -10.089 -3.560 10.842 1.00 0.00 O ATOM 865 OE2 GLU A 64 -10.706 -5.386 11.730 1.00 0.00 O ATOM 866 OXT GLU A 64 -6.516 -6.997 7.266 1.00 0.00 O ATOM 0 H GLU A 64 -6.273 -4.344 6.901 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.155 -5.528 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.708 -3.652 9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.754 -4.175 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.172 -6.314 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.098 -5.824 11.151 1.00 0.00 H new TER 873 GLU A 64