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 -160:sc= 0 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Set 2.1: A 38 SER OG : rot -172:sc= 0.9 USER MOD Set 2.2: A 40 THR OG1 : rot -84:sc= 1.03 USER MOD Set 3.1: A 12 CYS SG : rot -32:sc= -0.0536 USER MOD Set 3.2: A 15 CYS SG : rot -87:sc= 1.38! USER MOD Set 3.3: A 61 TYR OH : rot -48:sc= 0.166 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= 0.929 K(o=0.93,f=-3.4!) USER MOD Single : A 10 MET CE :methyl 174:sc= -2.8! (180deg=-2.84) USER MOD Single : A 11 THR OG1 : rot 62:sc= 0.483 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 1.96 (180deg=0.703) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -80:sc= -0.0762 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 76:sc= 0.0845 USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.661 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.852 -12.316 -4.403 1.00 0.00 N ATOM 2 CA ALA A 1 7.794 -13.251 -4.040 1.00 0.00 C ATOM 3 C ALA A 1 6.417 -12.659 -4.327 1.00 0.00 C ATOM 4 O ALA A 1 5.959 -12.654 -5.468 1.00 0.00 O ATOM 5 CB ALA A 1 7.909 -13.634 -2.572 1.00 0.00 C ATOM 0 H1 ALA A 1 9.778 -12.743 -4.198 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.789 -12.097 -5.418 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.745 -11.440 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 1 7.910 -14.148 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.113 -14.333 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.876 -14.104 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.821 -12.740 -1.955 1.00 0.00 H new ATOM 11 N GLY A 2 5.762 -12.161 -3.281 1.00 0.00 N ATOM 12 CA GLY A 2 4.446 -11.572 -3.443 1.00 0.00 C ATOM 13 C GLY A 2 3.823 -11.175 -2.121 1.00 0.00 C ATOM 14 O GLY A 2 3.529 -12.029 -1.283 1.00 0.00 O ATOM 0 H GLY A 2 6.120 -12.155 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.521 -10.694 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.793 -12.282 -3.950 1.00 0.00 H new ATOM 18 N LEU A 3 3.619 -9.876 -1.931 1.00 0.00 N ATOM 19 CA LEU A 3 3.043 -9.365 -0.690 1.00 0.00 C ATOM 20 C LEU A 3 1.593 -8.942 -0.898 1.00 0.00 C ATOM 21 O LEU A 3 1.248 -8.357 -1.924 1.00 0.00 O ATOM 22 CB LEU A 3 3.875 -8.188 -0.163 1.00 0.00 C ATOM 23 CG LEU A 3 5.052 -8.574 0.741 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.063 -9.400 -0.043 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.700 -7.315 1.297 1.00 0.00 C ATOM 0 H LEU A 3 3.843 -9.157 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 3 3.060 -10.165 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.260 -7.626 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.217 -7.518 0.390 1.00 0.00 H new ATOM 0 HG LEU A 3 4.689 -9.178 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.895 -9.669 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.584 -10.306 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.435 -8.816 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.537 -7.590 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.062 -6.698 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.967 -6.754 1.876 1.00 0.00 H new ATOM 37 N SER A 4 0.749 -9.240 0.084 1.00 0.00 N ATOM 38 CA SER A 4 -0.662 -8.878 0.015 1.00 0.00 C ATOM 39 C SER A 4 -1.117 -8.217 1.313 1.00 0.00 C ATOM 40 O SER A 4 -0.855 -8.720 2.405 1.00 0.00 O ATOM 41 CB SER A 4 -1.504 -10.104 -0.280 1.00 0.00 C ATOM 42 OG SER A 4 -2.871 -9.802 -0.343 1.00 0.00 O ATOM 0 H SER A 4 1.017 -9.731 0.937 1.00 0.00 H new ATOM 0 HA SER A 4 -0.793 -8.160 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.186 -10.543 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.334 -10.854 0.492 1.00 0.00 H new ATOM 0 HG SER A 4 -3.378 -10.618 -0.537 1.00 0.00 H new ATOM 48 N PHE A 5 -1.802 -7.085 1.183 1.00 0.00 N ATOM 49 CA PHE A 5 -2.322 -6.370 2.344 1.00 0.00 C ATOM 50 C PHE A 5 -3.799 -6.034 2.159 1.00 0.00 C ATOM 51 O PHE A 5 -4.249 -5.753 1.046 1.00 0.00 O ATOM 52 CB PHE A 5 -1.516 -5.093 2.592 1.00 0.00 C ATOM 53 CG PHE A 5 -0.055 -5.338 2.841 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.407 -5.635 4.114 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.861 -5.274 1.801 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.751 -5.859 4.345 1.00 0.00 C ATOM 57 CE2 PHE A 5 2.205 -5.500 2.029 1.00 0.00 C ATOM 58 CZ PHE A 5 2.650 -5.792 3.300 1.00 0.00 C ATOM 0 H PHE A 5 -2.010 -6.644 0.287 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.224 -7.020 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.623 -4.434 1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.938 -4.568 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.292 -5.692 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.520 -5.045 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.097 -6.086 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.907 -5.448 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.701 -5.968 3.478 1.00 0.00 H new ATOM 68 N HIS A 6 -4.547 -6.062 3.255 1.00 0.00 N ATOM 69 CA HIS A 6 -5.952 -5.666 3.233 1.00 0.00 C ATOM 70 C HIS A 6 -6.162 -4.368 4.008 1.00 0.00 C ATOM 71 O HIS A 6 -5.794 -4.264 5.177 1.00 0.00 O ATOM 72 CB HIS A 6 -6.838 -6.774 3.811 1.00 0.00 C ATOM 73 CG HIS A 6 -8.303 -6.476 3.731 1.00 0.00 C ATOM 74 ND1 HIS A 6 -8.993 -6.453 2.538 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.208 -6.187 4.695 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.262 -6.165 2.773 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.417 -5.998 4.073 1.00 0.00 N ATOM 0 H HIS A 6 -4.206 -6.354 4.171 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.236 -5.500 2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.636 -7.704 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.566 -6.938 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.015 -6.118 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.039 -6.081 2.028 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.294 -5.766 4.540 1.00 0.00 H new ATOM 84 N VAL A 7 -6.757 -3.380 3.347 1.00 0.00 N ATOM 85 CA VAL A 7 -6.916 -2.055 3.933 1.00 0.00 C ATOM 86 C VAL A 7 -8.370 -1.600 3.876 1.00 0.00 C ATOM 87 O VAL A 7 -8.884 -1.263 2.812 1.00 0.00 O ATOM 88 CB VAL A 7 -6.033 -1.013 3.223 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.208 0.357 3.860 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.572 -1.434 3.264 1.00 0.00 C ATOM 0 H VAL A 7 -7.137 -3.473 2.405 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.603 -2.132 4.974 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.345 -0.952 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.576 1.081 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.251 0.664 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.923 0.309 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.963 -0.685 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.248 -1.524 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.456 -2.395 2.763 1.00 0.00 H new ATOM 100 N GLU A 8 -9.028 -1.594 5.032 1.00 0.00 N ATOM 101 CA GLU A 8 -10.455 -1.294 5.097 1.00 0.00 C ATOM 102 C GLU A 8 -10.708 0.193 4.856 1.00 0.00 C ATOM 103 O GLU A 8 -11.690 0.570 4.219 1.00 0.00 O ATOM 104 CB GLU A 8 -11.033 -1.717 6.448 1.00 0.00 C ATOM 105 CG GLU A 8 -11.223 -3.219 6.608 1.00 0.00 C ATOM 106 CD GLU A 8 -12.389 -3.710 5.795 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.078 -2.897 5.228 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.523 -4.902 5.648 1.00 0.00 O ATOM 0 H GLU A 8 -8.597 -1.793 5.935 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.955 -1.860 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.374 -1.360 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.995 -1.224 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.316 -3.738 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.383 -3.458 7.659 1.00 0.00 H new ATOM 115 N ASP A 9 -9.815 1.030 5.372 1.00 0.00 N ATOM 116 CA ASP A 9 -9.956 2.474 5.238 1.00 0.00 C ATOM 117 C ASP A 9 -9.950 2.888 3.770 1.00 0.00 C ATOM 118 O ASP A 9 -10.485 3.936 3.408 1.00 0.00 O ATOM 119 CB ASP A 9 -8.838 3.196 5.995 1.00 0.00 C ATOM 120 CG ASP A 9 -8.996 3.188 7.510 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.066 2.873 7.974 1.00 0.00 O ATOM 122 OD2 ASP A 9 -8.011 3.343 8.191 1.00 0.00 O ATOM 0 H ASP A 9 -8.986 0.733 5.887 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.914 2.760 5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.885 2.733 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.793 4.230 5.652 1.00 0.00 H new ATOM 127 N MET A 10 -9.341 2.059 2.930 1.00 0.00 N ATOM 128 CA MET A 10 -9.288 2.325 1.496 1.00 0.00 C ATOM 129 C MET A 10 -10.692 2.363 0.901 1.00 0.00 C ATOM 130 O MET A 10 -11.493 1.452 1.111 1.00 0.00 O ATOM 131 CB MET A 10 -8.440 1.269 0.791 1.00 0.00 C ATOM 132 CG MET A 10 -8.271 1.493 -0.705 1.00 0.00 C ATOM 133 SD MET A 10 -7.331 0.175 -1.503 1.00 0.00 S ATOM 134 CE MET A 10 -5.659 0.633 -1.054 1.00 0.00 C ATOM 0 H MET A 10 -8.877 1.197 3.216 1.00 0.00 H new ATOM 0 HA MET A 10 -8.827 3.301 1.346 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.454 1.243 1.256 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.894 0.291 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.254 1.566 -1.171 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.767 2.445 -0.871 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.968 -0.143 -1.383 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.399 1.577 -1.533 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.591 0.745 0.028 1.00 0.00 H new ATOM 144 N THR A 11 -10.985 3.424 0.154 1.00 0.00 N ATOM 145 CA THR A 11 -12.349 3.703 -0.277 1.00 0.00 C ATOM 146 C THR A 11 -12.399 4.034 -1.764 1.00 0.00 C ATOM 147 O THR A 11 -13.265 3.544 -2.490 1.00 0.00 O ATOM 148 CB THR A 11 -12.967 4.866 0.520 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.965 4.546 1.918 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.395 5.126 0.064 1.00 0.00 C ATOM 0 H THR A 11 -10.295 4.104 -0.165 1.00 0.00 H new ATOM 0 HA THR A 11 -12.929 2.799 -0.090 1.00 0.00 H new ATOM 0 HB THR A 11 -12.372 5.763 0.345 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.042 4.424 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.816 5.951 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.398 5.383 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.996 4.231 0.222 1.00 0.00 H new ATOM 158 N CYS A 12 -11.466 4.868 -2.209 1.00 0.00 N ATOM 159 CA CYS A 12 -11.458 5.339 -3.591 1.00 0.00 C ATOM 160 C CYS A 12 -10.046 5.321 -4.164 1.00 0.00 C ATOM 161 O CYS A 12 -9.081 5.037 -3.456 1.00 0.00 O ATOM 162 CB CYS A 12 -11.972 6.774 -3.464 1.00 0.00 C ATOM 163 SG CYS A 12 -10.923 7.859 -2.467 1.00 0.00 S ATOM 0 H CYS A 12 -10.706 5.232 -1.635 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.057 4.721 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.071 7.201 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.970 6.752 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.347 7.165 -1.531 1.00 0.00 H new ATOM 169 N GLY A 13 -9.932 5.625 -5.453 1.00 0.00 N ATOM 170 CA GLY A 13 -8.641 5.581 -6.114 1.00 0.00 C ATOM 171 C GLY A 13 -7.640 6.539 -5.498 1.00 0.00 C ATOM 172 O GLY A 13 -6.432 6.305 -5.551 1.00 0.00 O ATOM 0 H GLY A 13 -10.711 5.901 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.246 4.566 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.768 5.823 -7.169 1.00 0.00 H new ATOM 176 N HIS A 14 -8.143 7.621 -4.915 1.00 0.00 N ATOM 177 CA HIS A 14 -7.291 8.581 -4.221 1.00 0.00 C ATOM 178 C HIS A 14 -6.541 7.912 -3.074 1.00 0.00 C ATOM 179 O HIS A 14 -5.330 8.085 -2.926 1.00 0.00 O ATOM 180 CB HIS A 14 -8.116 9.759 -3.694 1.00 0.00 C ATOM 181 CG HIS A 14 -7.318 10.748 -2.903 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.442 11.638 -3.490 1.00 0.00 N ATOM 183 CD2 HIS A 14 -7.259 10.986 -1.572 1.00 0.00 C ATOM 184 CE1 HIS A 14 -5.882 12.382 -2.553 1.00 0.00 C ATOM 185 NE2 HIS A 14 -6.360 12.006 -1.381 1.00 0.00 N ATOM 0 H HIS A 14 -9.136 7.856 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.562 8.959 -4.938 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.580 10.271 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.923 9.375 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.815 10.470 -0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.156 13.165 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.103 12.408 -0.480 1.00 0.00 H new ATOM 192 N CYS A 15 -7.266 7.148 -2.265 1.00 0.00 N ATOM 193 CA CYS A 15 -6.672 6.463 -1.122 1.00 0.00 C ATOM 194 C CYS A 15 -5.608 5.470 -1.576 1.00 0.00 C ATOM 195 O CYS A 15 -4.561 5.333 -0.944 1.00 0.00 O ATOM 196 CB CYS A 15 -7.865 5.732 -0.506 1.00 0.00 C ATOM 197 SG CYS A 15 -9.152 6.820 0.154 1.00 0.00 S ATOM 0 H CYS A 15 -8.267 6.987 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.171 7.138 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.308 5.084 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.505 5.087 0.296 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.868 7.133 1.383 1.00 0.00 H new ATOM 203 N ALA A 16 -5.883 4.778 -2.678 1.00 0.00 N ATOM 204 CA ALA A 16 -4.908 3.875 -3.276 1.00 0.00 C ATOM 205 C ALA A 16 -3.684 4.637 -3.770 1.00 0.00 C ATOM 206 O ALA A 16 -2.553 4.173 -3.630 1.00 0.00 O ATOM 207 CB ALA A 16 -5.544 3.096 -4.419 1.00 0.00 C ATOM 0 H ALA A 16 -6.773 4.826 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.581 3.173 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.805 2.425 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.383 2.513 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.899 3.791 -5.180 1.00 0.00 H new ATOM 213 N GLY A 17 -3.917 5.812 -4.348 1.00 0.00 N ATOM 214 CA GLY A 17 -2.822 6.622 -4.849 1.00 0.00 C ATOM 215 C GLY A 17 -1.906 7.108 -3.743 1.00 0.00 C ATOM 216 O GLY A 17 -0.688 7.156 -3.910 1.00 0.00 O ATOM 0 H GLY A 17 -4.844 6.217 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.243 6.041 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.225 7.481 -5.386 1.00 0.00 H new ATOM 220 N VAL A 18 -2.496 7.474 -2.608 1.00 0.00 N ATOM 221 CA VAL A 18 -1.725 7.957 -1.468 1.00 0.00 C ATOM 222 C VAL A 18 -0.811 6.866 -0.921 1.00 0.00 C ATOM 223 O VAL A 18 0.360 7.111 -0.630 1.00 0.00 O ATOM 224 CB VAL A 18 -2.642 8.461 -0.338 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.831 8.757 0.915 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.404 9.701 -0.783 1.00 0.00 C ATOM 0 H VAL A 18 -3.504 7.445 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.119 8.788 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.363 7.678 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.495 9.112 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.328 7.848 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.088 9.523 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.047 10.043 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.697 10.489 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.015 9.460 -1.653 1.00 0.00 H new ATOM 236 N ILE A 19 -1.356 5.663 -0.783 1.00 0.00 N ATOM 237 CA ILE A 19 -0.569 4.514 -0.348 1.00 0.00 C ATOM 238 C ILE A 19 0.532 4.190 -1.352 1.00 0.00 C ATOM 239 O ILE A 19 1.679 3.948 -0.975 1.00 0.00 O ATOM 240 CB ILE A 19 -1.451 3.269 -0.144 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.387 3.468 1.050 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.588 2.033 0.053 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.473 2.420 1.156 1.00 0.00 C ATOM 0 H ILE A 19 -2.338 5.457 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.117 4.785 0.606 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.059 3.124 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.798 3.461 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.850 4.452 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.227 1.162 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.039 1.883 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.044 2.167 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.096 2.628 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.088 2.441 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.019 1.435 1.262 1.00 0.00 H new ATOM 255 N LYS A 20 0.177 4.188 -2.632 1.00 0.00 N ATOM 256 CA LYS A 20 1.131 3.886 -3.691 1.00 0.00 C ATOM 257 C LYS A 20 2.279 4.891 -3.692 1.00 0.00 C ATOM 258 O LYS A 20 3.445 4.516 -3.816 1.00 0.00 O ATOM 259 CB LYS A 20 0.435 3.877 -5.053 1.00 0.00 C ATOM 260 CG LYS A 20 1.346 3.528 -6.222 1.00 0.00 C ATOM 261 CD LYS A 20 0.543 3.213 -7.476 1.00 0.00 C ATOM 262 CE LYS A 20 1.452 2.989 -8.675 1.00 0.00 C ATOM 263 NZ LYS A 20 2.472 1.938 -8.410 1.00 0.00 N ATOM 0 H LYS A 20 -0.766 4.393 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 20 1.543 2.895 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.387 3.162 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.003 4.859 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.022 4.360 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.965 2.670 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.065 2.324 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.143 4.033 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.851 2.702 -9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.952 3.923 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.863 1.599 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.237 2.336 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.029 1.144 -7.904 1.00 0.00 H new ATOM 277 N GLY A 21 1.942 6.169 -3.550 1.00 0.00 N ATOM 278 CA GLY A 21 2.957 7.207 -3.540 1.00 0.00 C ATOM 279 C GLY A 21 3.864 7.117 -2.329 1.00 0.00 C ATOM 280 O GLY A 21 5.077 7.296 -2.439 1.00 0.00 O ATOM 0 H GLY A 21 0.985 6.504 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.558 7.133 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.474 8.184 -3.557 1.00 0.00 H new ATOM 284 N ALA A 22 3.276 6.840 -1.170 1.00 0.00 N ATOM 285 CA ALA A 22 4.037 6.746 0.069 1.00 0.00 C ATOM 286 C ALA A 22 5.053 5.612 0.006 1.00 0.00 C ATOM 287 O ALA A 22 6.190 5.758 0.457 1.00 0.00 O ATOM 288 CB ALA A 22 3.099 6.550 1.252 1.00 0.00 C ATOM 0 H ALA A 22 2.275 6.677 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 22 4.582 7.680 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.682 6.481 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.415 7.396 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.528 5.632 1.115 1.00 0.00 H new ATOM 294 N ILE A 23 4.638 4.483 -0.557 1.00 0.00 N ATOM 295 CA ILE A 23 5.512 3.323 -0.678 1.00 0.00 C ATOM 296 C ILE A 23 6.646 3.589 -1.663 1.00 0.00 C ATOM 297 O ILE A 23 7.813 3.338 -1.364 1.00 0.00 O ATOM 298 CB ILE A 23 4.734 2.074 -1.129 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.759 1.629 -0.036 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.694 0.947 -1.481 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.749 0.605 -0.499 1.00 0.00 C ATOM 0 H ILE A 23 3.701 4.347 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 23 5.930 3.139 0.312 1.00 0.00 H new ATOM 0 HB ILE A 23 4.160 2.327 -2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.327 1.215 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.229 2.503 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.127 0.072 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.350 1.267 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.294 0.694 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.094 0.339 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.155 1.022 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.269 -0.286 -0.850 1.00 0.00 H new ATOM 313 N GLU A 24 6.293 4.100 -2.838 1.00 0.00 N ATOM 314 CA GLU A 24 7.269 4.312 -3.902 1.00 0.00 C ATOM 315 C GLU A 24 8.330 5.322 -3.474 1.00 0.00 C ATOM 316 O GLU A 24 9.505 5.183 -3.809 1.00 0.00 O ATOM 317 CB GLU A 24 6.574 4.785 -5.181 1.00 0.00 C ATOM 318 CG GLU A 24 5.775 3.706 -5.898 1.00 0.00 C ATOM 319 CD GLU A 24 5.022 4.272 -7.070 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.033 5.468 -7.238 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.530 3.503 -7.862 1.00 0.00 O ATOM 0 H GLU A 24 5.340 4.375 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 24 7.762 3.361 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.906 5.610 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.326 5.178 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.448 2.920 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.075 3.245 -5.201 1.00 0.00 H new ATOM 328 N LYS A 25 7.905 6.338 -2.730 1.00 0.00 N ATOM 329 CA LYS A 25 8.806 7.400 -2.298 1.00 0.00 C ATOM 330 C LYS A 25 9.871 6.856 -1.350 1.00 0.00 C ATOM 331 O LYS A 25 11.050 7.193 -1.464 1.00 0.00 O ATOM 332 CB LYS A 25 8.023 8.528 -1.622 1.00 0.00 C ATOM 333 CG LYS A 25 8.874 9.715 -1.194 1.00 0.00 C ATOM 334 CD LYS A 25 8.012 10.851 -0.663 1.00 0.00 C ATOM 335 CE LYS A 25 8.865 12.025 -0.206 1.00 0.00 C ATOM 336 NZ LYS A 25 8.035 13.136 0.335 1.00 0.00 N ATOM 0 H LYS A 25 6.942 6.448 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 25 9.303 7.801 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.250 8.878 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.514 8.126 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.579 9.401 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.462 10.068 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.322 11.181 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.407 10.493 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.565 11.689 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.459 12.390 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.653 13.917 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.384 13.474 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.487 12.795 1.150 1.00 0.00 H new ATOM 350 N THR A 26 9.449 6.013 -0.413 1.00 0.00 N ATOM 351 CA THR A 26 10.326 5.558 0.657 1.00 0.00 C ATOM 352 C THR A 26 10.976 4.223 0.307 1.00 0.00 C ATOM 353 O THR A 26 11.970 3.826 0.915 1.00 0.00 O ATOM 354 CB THR A 26 9.566 5.414 1.988 1.00 0.00 C ATOM 355 OG1 THR A 26 8.520 4.444 1.841 1.00 0.00 O ATOM 356 CG2 THR A 26 8.960 6.746 2.404 1.00 0.00 C ATOM 0 H THR A 26 8.504 5.631 -0.374 1.00 0.00 H new ATOM 0 HA THR A 26 11.100 6.317 0.772 1.00 0.00 H new ATOM 0 HB THR A 26 10.268 5.090 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.752 4.856 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.427 6.625 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.753 7.484 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.265 7.086 1.636 1.00 0.00 H new ATOM 364 N VAL A 27 10.408 3.534 -0.678 1.00 0.00 N ATOM 365 CA VAL A 27 10.935 2.248 -1.112 1.00 0.00 C ATOM 366 C VAL A 27 11.248 2.257 -2.605 1.00 0.00 C ATOM 367 O VAL A 27 10.356 2.341 -3.451 1.00 0.00 O ATOM 368 CB VAL A 27 9.949 1.103 -0.809 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.515 -0.227 -1.286 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.641 1.045 0.679 1.00 0.00 C ATOM 0 H VAL A 27 9.583 3.846 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 27 11.855 2.079 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 27 9.021 1.297 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.806 -1.025 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.688 -0.184 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.457 -0.426 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.943 0.231 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.563 0.874 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.196 1.988 0.995 1.00 0.00 H new ATOM 380 N PRO A 28 12.544 2.166 -2.939 1.00 0.00 N ATOM 381 CA PRO A 28 13.003 2.160 -4.331 1.00 0.00 C ATOM 382 C PRO A 28 12.660 0.858 -5.048 1.00 0.00 C ATOM 383 O PRO A 28 12.875 -0.230 -4.515 1.00 0.00 O ATOM 384 CB PRO A 28 14.517 2.367 -4.220 1.00 0.00 C ATOM 385 CG PRO A 28 14.870 1.815 -2.881 1.00 0.00 C ATOM 386 CD PRO A 28 13.697 2.137 -1.994 1.00 0.00 C ATOM 0 HA PRO A 28 12.517 2.932 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.049 1.847 -5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.780 3.422 -4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.041 0.740 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.786 2.265 -2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.561 1.383 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.826 3.094 -1.489 1.00 0.00 H new ATOM 394 N GLY A 29 12.127 0.978 -6.259 1.00 0.00 N ATOM 395 CA GLY A 29 11.826 -0.198 -7.056 1.00 0.00 C ATOM 396 C GLY A 29 10.592 -0.929 -6.568 1.00 0.00 C ATOM 397 O GLY A 29 10.411 -2.113 -6.849 1.00 0.00 O ATOM 0 H GLY A 29 11.898 1.867 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.682 0.098 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.679 -0.876 -7.033 1.00 0.00 H new ATOM 401 N ALA A 30 9.740 -0.222 -5.832 1.00 0.00 N ATOM 402 CA ALA A 30 8.526 -0.817 -5.287 1.00 0.00 C ATOM 403 C ALA A 30 7.414 -0.851 -6.330 1.00 0.00 C ATOM 404 O ALA A 30 7.045 0.181 -6.891 1.00 0.00 O ATOM 405 CB ALA A 30 8.072 -0.051 -4.053 1.00 0.00 C ATOM 0 H ALA A 30 9.868 0.763 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 30 8.751 -1.845 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.164 -0.506 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.855 -0.084 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.870 0.986 -4.322 1.00 0.00 H new ATOM 411 N ALA A 31 6.885 -2.042 -6.585 1.00 0.00 N ATOM 412 CA ALA A 31 5.709 -2.190 -7.433 1.00 0.00 C ATOM 413 C ALA A 31 4.443 -2.335 -6.595 1.00 0.00 C ATOM 414 O ALA A 31 4.288 -3.303 -5.849 1.00 0.00 O ATOM 415 CB ALA A 31 5.871 -3.387 -8.359 1.00 0.00 C ATOM 0 H ALA A 31 7.252 -2.919 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 31 5.613 -1.288 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.985 -3.485 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.748 -3.243 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.997 -4.292 -7.765 1.00 0.00 H new ATOM 421 N VAL A 32 3.540 -1.367 -6.720 1.00 0.00 N ATOM 422 CA VAL A 32 2.316 -1.355 -5.931 1.00 0.00 C ATOM 423 C VAL A 32 1.083 -1.300 -6.827 1.00 0.00 C ATOM 424 O VAL A 32 0.903 -0.355 -7.594 1.00 0.00 O ATOM 425 CB VAL A 32 2.284 -0.164 -4.956 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.986 -0.160 -4.162 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.480 -0.211 -4.017 1.00 0.00 C ATOM 0 H VAL A 32 3.635 -0.580 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 32 2.303 -2.282 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 32 2.337 0.757 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.981 0.689 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.141 -0.080 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.905 -1.086 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.441 0.638 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.456 -1.138 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.401 -0.167 -4.598 1.00 0.00 H new ATOM 437 N HIS A 33 0.238 -2.320 -6.724 1.00 0.00 N ATOM 438 CA HIS A 33 -1.058 -2.310 -7.394 1.00 0.00 C ATOM 439 C HIS A 33 -2.193 -2.428 -6.381 1.00 0.00 C ATOM 440 O HIS A 33 -2.405 -3.489 -5.794 1.00 0.00 O ATOM 441 CB HIS A 33 -1.149 -3.441 -8.421 1.00 0.00 C ATOM 442 CG HIS A 33 -0.073 -3.398 -9.462 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.158 -2.604 -10.586 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.110 -4.049 -9.549 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.929 -2.769 -11.319 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.714 -3.640 -10.712 1.00 0.00 N ATOM 0 H HIS A 33 0.427 -3.164 -6.183 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.156 -1.358 -7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.100 -4.397 -7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.120 -3.395 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.505 -4.758 -8.837 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.140 -2.275 -12.256 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.622 -3.957 -11.052 1.00 0.00 H new ATOM 453 N ALA A 34 -2.919 -1.334 -6.182 1.00 0.00 N ATOM 454 CA ALA A 34 -3.957 -1.280 -5.158 1.00 0.00 C ATOM 455 C ALA A 34 -5.343 -1.183 -5.787 1.00 0.00 C ATOM 456 O ALA A 34 -5.524 -0.526 -6.812 1.00 0.00 O ATOM 457 CB ALA A 34 -3.715 -0.105 -4.222 1.00 0.00 C ATOM 0 H ALA A 34 -2.808 -0.472 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.913 -2.204 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.497 -0.077 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.745 -0.219 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.730 0.824 -4.792 1.00 0.00 H new ATOM 463 N ASP A 35 -6.316 -1.840 -5.166 1.00 0.00 N ATOM 464 CA ASP A 35 -7.690 -1.809 -5.653 1.00 0.00 C ATOM 465 C ASP A 35 -8.660 -1.483 -4.522 1.00 0.00 C ATOM 466 O ASP A 35 -8.875 -2.277 -3.606 1.00 0.00 O ATOM 467 CB ASP A 35 -8.062 -3.147 -6.298 1.00 0.00 C ATOM 468 CG ASP A 35 -9.457 -3.185 -6.909 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.162 -2.212 -6.791 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.746 -4.117 -7.620 1.00 0.00 O ATOM 0 H ASP A 35 -6.179 -2.400 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.763 -1.025 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.332 -3.378 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.986 -3.932 -5.546 1.00 0.00 H new ATOM 475 N PRO A 36 -9.261 -0.284 -4.586 1.00 0.00 N ATOM 476 CA PRO A 36 -10.189 0.190 -3.556 1.00 0.00 C ATOM 477 C PRO A 36 -11.530 -0.534 -3.606 1.00 0.00 C ATOM 478 O PRO A 36 -12.275 -0.547 -2.628 1.00 0.00 O ATOM 479 CB PRO A 36 -10.338 1.685 -3.855 1.00 0.00 C ATOM 480 CG PRO A 36 -10.067 1.801 -5.316 1.00 0.00 C ATOM 481 CD PRO A 36 -9.004 0.773 -5.607 1.00 0.00 C ATOM 0 HA PRO A 36 -9.818 -0.002 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.338 2.042 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.634 2.279 -3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.968 1.611 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.726 2.803 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.089 0.382 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.002 1.191 -5.510 1.00 0.00 H new ATOM 489 N ALA A 37 -11.830 -1.135 -4.751 1.00 0.00 N ATOM 490 CA ALA A 37 -13.058 -1.903 -4.913 1.00 0.00 C ATOM 491 C ALA A 37 -13.034 -3.163 -4.053 1.00 0.00 C ATOM 492 O ALA A 37 -14.051 -3.553 -3.479 1.00 0.00 O ATOM 493 CB ALA A 37 -13.267 -2.264 -6.376 1.00 0.00 C ATOM 0 H ALA A 37 -11.239 -1.105 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.891 -1.283 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.188 -2.837 -6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.337 -1.352 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.426 -2.861 -6.727 1.00 0.00 H new ATOM 499 N SER A 38 -11.868 -3.796 -3.972 1.00 0.00 N ATOM 500 CA SER A 38 -11.688 -4.957 -3.109 1.00 0.00 C ATOM 501 C SER A 38 -11.006 -4.564 -1.801 1.00 0.00 C ATOM 502 O SER A 38 -10.930 -5.358 -0.865 1.00 0.00 O ATOM 503 CB SER A 38 -10.884 -6.024 -3.827 1.00 0.00 C ATOM 504 OG SER A 38 -9.635 -5.547 -4.247 1.00 0.00 O ATOM 0 H SER A 38 -11.034 -3.524 -4.493 1.00 0.00 H new ATOM 0 HA SER A 38 -12.671 -5.361 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.742 -6.878 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.445 -6.381 -4.691 1.00 0.00 H new ATOM 0 HG SER A 38 -9.201 -6.220 -4.812 1.00 0.00 H new ATOM 510 N ARG A 39 -10.513 -3.331 -1.749 1.00 0.00 N ATOM 511 CA ARG A 39 -9.858 -2.822 -0.548 1.00 0.00 C ATOM 512 C ARG A 39 -8.580 -3.603 -0.255 1.00 0.00 C ATOM 513 O ARG A 39 -8.272 -3.898 0.901 1.00 0.00 O ATOM 514 CB ARG A 39 -10.792 -2.802 0.653 1.00 0.00 C ATOM 515 CG ARG A 39 -11.996 -1.884 0.512 1.00 0.00 C ATOM 516 CD ARG A 39 -12.869 -1.832 1.712 1.00 0.00 C ATOM 517 NE ARG A 39 -14.104 -1.086 1.526 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.049 -0.925 2.472 1.00 0.00 C ATOM 519 NH1 ARG A 39 -14.926 -1.483 3.656 1.00 0.00 N ATOM 520 NH2 ARG A 39 -16.119 -0.208 2.170 1.00 0.00 N ATOM 0 H ARG A 39 -10.554 -2.667 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.583 -1.785 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.146 -3.816 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.223 -2.499 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.646 -0.876 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.590 -2.212 -0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.116 -2.851 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.310 -1.385 2.534 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.265 -0.655 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.105 -2.049 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.652 -1.350 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.211 0.205 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.852 -0.068 2.865 1.00 0.00 H new ATOM 534 N THR A 40 -7.838 -3.933 -1.307 1.00 0.00 N ATOM 535 CA THR A 40 -6.638 -4.747 -1.171 1.00 0.00 C ATOM 536 C THR A 40 -5.431 -4.058 -1.799 1.00 0.00 C ATOM 537 O THR A 40 -5.578 -3.202 -2.671 1.00 0.00 O ATOM 538 CB THR A 40 -6.821 -6.133 -1.817 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.108 -5.979 -3.212 1.00 0.00 O ATOM 540 CG2 THR A 40 -7.960 -6.887 -1.149 1.00 0.00 C ATOM 0 H THR A 40 -8.048 -3.648 -2.264 1.00 0.00 H new ATOM 0 HA THR A 40 -6.463 -4.875 -0.103 1.00 0.00 H new ATOM 0 HB THR A 40 -5.899 -6.701 -1.689 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.068 -5.822 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.074 -7.864 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.738 -7.017 -0.090 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.885 -6.321 -1.259 1.00 0.00 H new ATOM 548 N VAL A 41 -4.239 -4.439 -1.353 1.00 0.00 N ATOM 549 CA VAL A 41 -3.005 -3.945 -1.952 1.00 0.00 C ATOM 550 C VAL A 41 -2.101 -5.097 -2.377 1.00 0.00 C ATOM 551 O VAL A 41 -1.800 -5.989 -1.583 1.00 0.00 O ATOM 552 CB VAL A 41 -2.233 -3.028 -0.985 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.964 -2.506 -1.644 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.110 -1.872 -0.531 1.00 0.00 C ATOM 0 H VAL A 41 -4.101 -5.088 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.292 -3.368 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.952 -3.612 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.431 -1.860 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.326 -3.345 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.225 -1.939 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.548 -1.235 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.421 -1.289 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.991 -2.262 -0.021 1.00 0.00 H new ATOM 564 N VAL A 42 -1.671 -5.072 -3.633 1.00 0.00 N ATOM 565 CA VAL A 42 -0.735 -6.067 -4.142 1.00 0.00 C ATOM 566 C VAL A 42 0.663 -5.477 -4.299 1.00 0.00 C ATOM 567 O VAL A 42 0.851 -4.473 -4.986 1.00 0.00 O ATOM 568 CB VAL A 42 -1.196 -6.638 -5.496 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.181 -7.639 -6.025 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.565 -7.289 -5.362 1.00 0.00 C ATOM 0 H VAL A 42 -1.956 -4.373 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.706 -6.874 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.273 -5.816 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.523 -8.032 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.782 -7.145 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.073 -8.458 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.875 -7.687 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.513 -8.100 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.289 -6.547 -5.026 1.00 0.00 H new ATOM 580 N VAL A 43 1.641 -6.107 -3.656 1.00 0.00 N ATOM 581 CA VAL A 43 2.980 -5.540 -3.556 1.00 0.00 C ATOM 582 C VAL A 43 4.026 -6.501 -4.106 1.00 0.00 C ATOM 583 O VAL A 43 4.030 -7.686 -3.776 1.00 0.00 O ATOM 584 CB VAL A 43 3.336 -5.185 -2.100 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.763 -4.664 -2.012 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.360 -4.156 -1.548 1.00 0.00 C ATOM 0 H VAL A 43 1.531 -7.011 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 43 2.981 -4.627 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 43 3.261 -6.090 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.997 -4.418 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.452 -5.429 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.863 -3.771 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.627 -3.917 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.404 -3.251 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.349 -4.562 -1.576 1.00 0.00 H new ATOM 596 N GLY A 44 4.916 -5.981 -4.948 1.00 0.00 N ATOM 597 CA GLY A 44 6.001 -6.789 -5.472 1.00 0.00 C ATOM 598 C GLY A 44 7.202 -6.821 -4.548 1.00 0.00 C ATOM 599 O GLY A 44 7.068 -6.628 -3.340 1.00 0.00 O ATOM 0 H GLY A 44 4.904 -5.015 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.646 -7.806 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.304 -6.398 -6.443 1.00 0.00 H new ATOM 603 N GLY A 45 8.379 -7.065 -5.116 1.00 0.00 N ATOM 604 CA GLY A 45 9.592 -7.110 -4.322 1.00 0.00 C ATOM 605 C GLY A 45 9.866 -5.801 -3.607 1.00 0.00 C ATOM 606 O GLY A 45 10.134 -4.782 -4.245 1.00 0.00 O ATOM 0 H GLY A 45 8.514 -7.232 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.512 -7.912 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.436 -7.352 -4.968 1.00 0.00 H new ATOM 610 N VAL A 46 9.797 -5.827 -2.280 1.00 0.00 N ATOM 611 CA VAL A 46 10.005 -4.625 -1.480 1.00 0.00 C ATOM 612 C VAL A 46 10.761 -4.944 -0.195 1.00 0.00 C ATOM 613 O VAL A 46 11.072 -6.101 0.082 1.00 0.00 O ATOM 614 CB VAL A 46 8.670 -3.944 -1.125 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.968 -3.460 -2.385 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.774 -4.900 -0.352 1.00 0.00 C ATOM 0 H VAL A 46 9.599 -6.667 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 46 10.599 -3.942 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 46 8.881 -3.081 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.026 -2.981 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.604 -2.743 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.769 -4.309 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.835 -4.403 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.571 -5.781 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.273 -5.202 0.569 1.00 0.00 H new ATOM 626 N SER A 47 11.051 -3.909 0.586 1.00 0.00 N ATOM 627 CA SER A 47 11.689 -4.086 1.885 1.00 0.00 C ATOM 628 C SER A 47 10.763 -4.820 2.850 1.00 0.00 C ATOM 629 O SER A 47 9.632 -5.161 2.503 1.00 0.00 O ATOM 630 CB SER A 47 12.096 -2.742 2.456 1.00 0.00 C ATOM 631 OG SER A 47 10.985 -1.958 2.797 1.00 0.00 O ATOM 0 H SER A 47 10.854 -2.938 0.342 1.00 0.00 H new ATOM 0 HA SER A 47 12.584 -4.693 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.716 -2.896 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.706 -2.208 1.727 1.00 0.00 H new ATOM 0 HG SER A 47 11.254 -1.017 2.855 1.00 0.00 H new ATOM 637 N ASP A 48 11.251 -5.059 4.061 1.00 0.00 N ATOM 638 CA ASP A 48 10.520 -5.862 5.035 1.00 0.00 C ATOM 639 C ASP A 48 9.024 -5.568 4.969 1.00 0.00 C ATOM 640 O ASP A 48 8.606 -4.411 5.015 1.00 0.00 O ATOM 641 CB ASP A 48 11.047 -5.604 6.449 1.00 0.00 C ATOM 642 CG ASP A 48 10.383 -6.445 7.531 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.458 -7.156 7.218 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.901 -6.491 8.621 1.00 0.00 O ATOM 0 H ASP A 48 12.150 -4.709 4.393 1.00 0.00 H new ATOM 0 HA ASP A 48 10.676 -6.913 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.120 -5.796 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.908 -4.550 6.689 1.00 0.00 H new ATOM 649 N ALA A 49 8.224 -6.622 4.859 1.00 0.00 N ATOM 650 CA ALA A 49 6.773 -6.479 4.798 1.00 0.00 C ATOM 651 C ALA A 49 6.251 -5.687 5.990 1.00 0.00 C ATOM 652 O ALA A 49 5.265 -4.958 5.879 1.00 0.00 O ATOM 653 CB ALA A 49 6.111 -7.846 4.736 1.00 0.00 C ATOM 0 H ALA A 49 8.555 -7.586 4.810 1.00 0.00 H new ATOM 0 HA ALA A 49 6.523 -5.927 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.029 -7.724 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.454 -8.376 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.375 -8.419 5.625 1.00 0.00 H new ATOM 659 N ALA A 50 6.916 -5.835 7.131 1.00 0.00 N ATOM 660 CA ALA A 50 6.575 -5.064 8.320 1.00 0.00 C ATOM 661 C ALA A 50 6.777 -3.570 8.083 1.00 0.00 C ATOM 662 O ALA A 50 5.972 -2.748 8.520 1.00 0.00 O ATOM 663 CB ALA A 50 7.405 -5.528 9.507 1.00 0.00 C ATOM 0 H ALA A 50 7.694 -6.482 7.257 1.00 0.00 H new ATOM 0 HA ALA A 50 5.521 -5.232 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.139 -4.943 10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.208 -6.583 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.464 -5.391 9.286 1.00 0.00 H new ATOM 669 N HIS A 51 7.857 -3.227 7.390 1.00 0.00 N ATOM 670 CA HIS A 51 8.190 -1.831 7.134 1.00 0.00 C ATOM 671 C HIS A 51 7.160 -1.187 6.211 1.00 0.00 C ATOM 672 O HIS A 51 6.682 -0.082 6.472 1.00 0.00 O ATOM 673 CB HIS A 51 9.591 -1.708 6.525 1.00 0.00 C ATOM 674 CG HIS A 51 9.997 -0.297 6.230 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.303 0.612 7.221 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.145 0.361 5.056 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.624 1.769 6.668 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.536 1.643 5.357 1.00 0.00 N ATOM 0 H HIS A 51 8.517 -3.897 6.995 1.00 0.00 H new ATOM 0 HA HIS A 51 8.178 -1.305 8.089 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.315 -2.150 7.210 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.629 -2.288 5.603 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.986 -0.046 4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.910 2.665 7.199 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.727 2.379 4.677 1.00 0.00 H new ATOM 685 N ILE A 52 6.823 -1.884 5.131 1.00 0.00 N ATOM 686 CA ILE A 52 5.872 -1.367 4.154 1.00 0.00 C ATOM 687 C ILE A 52 4.457 -1.345 4.723 1.00 0.00 C ATOM 688 O ILE A 52 3.624 -0.539 4.309 1.00 0.00 O ATOM 689 CB ILE A 52 5.884 -2.201 2.860 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.216 -1.427 1.720 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.188 -3.535 3.080 1.00 0.00 C ATOM 692 CD1 ILE A 52 5.397 -2.064 0.361 1.00 0.00 C ATOM 0 H ILE A 52 7.194 -2.808 4.910 1.00 0.00 H new ATOM 0 HA ILE A 52 6.181 -0.348 3.920 1.00 0.00 H new ATOM 0 HB ILE A 52 6.920 -2.396 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.150 -1.338 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.622 -0.416 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.206 -4.112 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.704 -4.090 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.154 -3.361 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.896 -1.458 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.460 -2.129 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.966 -3.065 0.368 1.00 0.00 H new ATOM 704 N ALA A 53 4.194 -2.233 5.676 1.00 0.00 N ATOM 705 CA ALA A 53 2.946 -2.199 6.429 1.00 0.00 C ATOM 706 C ALA A 53 2.848 -0.931 7.270 1.00 0.00 C ATOM 707 O ALA A 53 1.776 -0.341 7.396 1.00 0.00 O ATOM 708 CB ALA A 53 2.830 -3.433 7.312 1.00 0.00 C ATOM 0 H ALA A 53 4.829 -2.985 5.945 1.00 0.00 H new ATOM 0 HA ALA A 53 2.120 -2.196 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.894 -3.395 7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.847 -4.328 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.667 -3.461 8.010 1.00 0.00 H new ATOM 714 N GLU A 54 3.974 -0.521 7.846 1.00 0.00 N ATOM 715 CA GLU A 54 4.044 0.745 8.567 1.00 0.00 C ATOM 716 C GLU A 54 3.881 1.925 7.611 1.00 0.00 C ATOM 717 O GLU A 54 3.311 2.955 7.974 1.00 0.00 O ATOM 718 CB GLU A 54 5.368 0.858 9.326 1.00 0.00 C ATOM 719 CG GLU A 54 5.483 -0.065 10.530 1.00 0.00 C ATOM 720 CD GLU A 54 6.857 -0.004 11.136 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.696 0.674 10.592 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.041 -0.544 12.200 1.00 0.00 O ATOM 0 H GLU A 54 4.848 -1.046 7.828 1.00 0.00 H new ATOM 0 HA GLU A 54 3.225 0.770 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.186 0.642 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.495 1.888 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.741 0.215 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.261 -1.089 10.229 1.00 0.00 H new ATOM 729 N ILE A 55 4.385 1.766 6.393 1.00 0.00 N ATOM 730 CA ILE A 55 4.221 2.783 5.362 1.00 0.00 C ATOM 731 C ILE A 55 2.755 2.953 4.984 1.00 0.00 C ATOM 732 O ILE A 55 2.266 4.074 4.838 1.00 0.00 O ATOM 733 CB ILE A 55 5.033 2.442 4.098 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.533 2.553 4.381 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.636 3.354 2.948 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.406 2.023 3.267 1.00 0.00 C ATOM 0 H ILE A 55 4.910 0.944 6.096 1.00 0.00 H new ATOM 0 HA ILE A 55 4.595 3.718 5.780 1.00 0.00 H new ATOM 0 HB ILE A 55 4.812 1.414 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.783 3.599 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.761 2.010 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.219 3.099 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.575 3.227 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.828 4.391 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.455 2.136 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.186 0.968 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.208 2.582 2.352 1.00 0.00 H new ATOM 748 N ILE A 56 2.055 1.834 4.828 1.00 0.00 N ATOM 749 CA ILE A 56 0.624 1.858 4.556 1.00 0.00 C ATOM 750 C ILE A 56 -0.138 2.545 5.685 1.00 0.00 C ATOM 751 O ILE A 56 -1.073 3.310 5.444 1.00 0.00 O ATOM 752 CB ILE A 56 0.063 0.438 4.358 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.610 -0.175 3.066 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.457 0.466 4.335 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.353 -1.660 2.940 1.00 0.00 C ATOM 0 H ILE A 56 2.457 0.898 4.886 1.00 0.00 H new ATOM 0 HA ILE A 56 0.487 2.422 3.634 1.00 0.00 H new ATOM 0 HB ILE A 56 0.382 -0.182 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.161 0.336 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.684 0.004 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.837 -0.546 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.828 0.865 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.797 1.099 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.769 -2.023 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.825 -2.183 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.721 -1.846 2.957 1.00 0.00 H new ATOM 767 N THR A 57 0.269 2.267 6.921 1.00 0.00 N ATOM 768 CA THR A 57 -0.261 2.979 8.077 1.00 0.00 C ATOM 769 C THR A 57 0.108 4.457 8.029 1.00 0.00 C ATOM 770 O THR A 57 -0.687 5.318 8.401 1.00 0.00 O ATOM 771 CB THR A 57 0.252 2.373 9.396 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.198 1.016 9.509 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.260 3.172 10.585 1.00 0.00 C ATOM 0 H THR A 57 0.963 1.554 7.146 1.00 0.00 H new ATOM 0 HA THR A 57 -1.346 2.878 8.040 1.00 0.00 H new ATOM 0 HB THR A 57 1.342 2.403 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.333 0.445 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.113 2.729 11.509 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.090 4.202 10.509 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.350 3.159 10.590 1.00 0.00 H new ATOM 781 N ALA A 58 1.322 4.744 7.570 1.00 0.00 N ATOM 782 CA ALA A 58 1.787 6.120 7.447 1.00 0.00 C ATOM 783 C ALA A 58 0.969 6.887 6.413 1.00 0.00 C ATOM 784 O ALA A 58 0.878 8.112 6.464 1.00 0.00 O ATOM 785 CB ALA A 58 3.264 6.148 7.080 1.00 0.00 C ATOM 0 H ALA A 58 2.001 4.042 7.277 1.00 0.00 H new ATOM 0 HA ALA A 58 1.654 6.609 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.597 7.182 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.841 5.646 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.412 5.636 6.129 1.00 0.00 H new ATOM 791 N ALA A 59 0.375 6.155 5.475 1.00 0.00 N ATOM 792 CA ALA A 59 -0.504 6.756 4.481 1.00 0.00 C ATOM 793 C ALA A 59 -1.866 7.090 5.082 1.00 0.00 C ATOM 794 O ALA A 59 -2.686 7.757 4.451 1.00 0.00 O ATOM 795 CB ALA A 59 -0.664 5.827 3.287 1.00 0.00 C ATOM 0 H ALA A 59 0.487 5.145 5.384 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.048 7.687 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.323 6.289 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.311 5.644 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.094 4.881 3.617 1.00 0.00 H new ATOM 801 N GLY A 60 -2.100 6.619 6.301 1.00 0.00 N ATOM 802 CA GLY A 60 -3.313 6.975 7.014 1.00 0.00 C ATOM 803 C GLY A 60 -4.454 6.018 6.731 1.00 0.00 C ATOM 804 O GLY A 60 -5.601 6.282 7.098 1.00 0.00 O ATOM 0 H GLY A 60 -1.471 5.997 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.111 6.988 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.612 7.985 6.734 1.00 0.00 H new ATOM 808 N TYR A 61 -4.143 4.904 6.077 1.00 0.00 N ATOM 809 CA TYR A 61 -5.159 3.929 5.702 1.00 0.00 C ATOM 810 C TYR A 61 -4.844 2.559 6.292 1.00 0.00 C ATOM 811 O TYR A 61 -3.814 1.957 5.982 1.00 0.00 O ATOM 812 CB TYR A 61 -5.273 3.833 4.179 1.00 0.00 C ATOM 813 CG TYR A 61 -5.654 5.135 3.508 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.972 5.566 3.493 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.696 5.927 2.893 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.327 6.755 2.883 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.039 7.116 2.281 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.356 7.527 2.278 1.00 0.00 C ATOM 819 OH TYR A 61 -6.704 8.710 1.668 1.00 0.00 O ATOM 0 H TYR A 61 -3.195 4.654 5.796 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.114 4.266 6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.320 3.493 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.015 3.075 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.733 4.963 3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.664 5.608 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.358 7.078 2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.280 7.721 1.807 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.479 8.563 1.087 1.00 0.00 H new ATOM 829 N THR A 62 -5.736 2.069 7.148 1.00 0.00 N ATOM 830 CA THR A 62 -5.479 0.853 7.908 1.00 0.00 C ATOM 831 C THR A 62 -6.656 -0.110 7.817 1.00 0.00 C ATOM 832 O THR A 62 -7.779 0.274 7.489 1.00 0.00 O ATOM 833 CB THR A 62 -5.196 1.162 9.390 1.00 0.00 C ATOM 834 OG1 THR A 62 -6.336 1.806 9.973 1.00 0.00 O ATOM 835 CG2 THR A 62 -3.983 2.071 9.523 1.00 0.00 C ATOM 0 H THR A 62 -6.644 2.497 7.332 1.00 0.00 H new ATOM 0 HA THR A 62 -4.596 0.388 7.469 1.00 0.00 H new ATOM 0 HB THR A 62 -4.994 0.225 9.909 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.816 2.309 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.798 2.279 10.577 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.111 1.580 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.170 3.007 8.996 1.00 0.00 H new ATOM 843 N PRO A 63 -6.398 -1.393 8.115 1.00 0.00 N ATOM 844 CA PRO A 63 -7.454 -2.395 8.282 1.00 0.00 C ATOM 845 C PRO A 63 -8.291 -2.151 9.533 1.00 0.00 C ATOM 846 O PRO A 63 -7.863 -1.451 10.449 1.00 0.00 O ATOM 847 CB PRO A 63 -6.693 -3.723 8.359 1.00 0.00 C ATOM 848 CG PRO A 63 -5.377 -3.363 8.958 1.00 0.00 C ATOM 849 CD PRO A 63 -5.047 -2.002 8.407 1.00 0.00 C ATOM 0 HA PRO A 63 -8.175 -2.371 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.224 -4.450 8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.571 -4.169 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.433 -3.343 10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.611 -4.091 8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.486 -1.405 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.437 -2.072 7.506 1.00 0.00 H new ATOM 857 N GLU A 64 -9.487 -2.731 9.562 1.00 0.00 N ATOM 858 CA GLU A 64 -10.370 -2.602 10.716 1.00 0.00 C ATOM 859 C GLU A 64 -10.706 -3.971 11.300 1.00 0.00 C ATOM 860 O GLU A 64 -11.875 -4.334 11.423 1.00 0.00 O ATOM 861 CB GLU A 64 -11.653 -1.862 10.330 1.00 0.00 C ATOM 862 CG GLU A 64 -11.450 -0.397 9.971 1.00 0.00 C ATOM 863 CD GLU A 64 -12.760 0.278 9.672 1.00 0.00 C ATOM 864 OE1 GLU A 64 -13.775 -0.371 9.762 1.00 0.00 O ATOM 865 OE2 GLU A 64 -12.759 1.469 9.464 1.00 0.00 O ATOM 866 OXT GLU A 64 -9.825 -4.708 11.646 1.00 0.00 O ATOM 0 H GLU A 64 -9.866 -3.294 8.801 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.848 -2.023 11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.111 -2.371 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.358 -1.926 11.159 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.954 0.116 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.793 -0.320 9.105 1.00 0.00 H new TER 873 GLU A 64