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 57 THR OG1 : rot -60:sc= 0.393 USER MOD Set 1.2: A 62 THR OG1 : rot -7:sc= 0.225 USER MOD Set 2.1: A 47 SER OG : rot 154:sc= 0.674 USER MOD Set 2.2: A 51 HIS : no HD1:sc= 0.575 K(o=1.2,f=-1.3) USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0.831 USER MOD Set 3.2: A 40 THR OG1 : rot -76:sc= 0.956 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -175:sc= 1.3 (180deg=0) USER MOD Set 4.2: A 33 HIS : no HD1:sc= 1.1 K(o=2.4,f=-7.5!) USER MOD Set 5.1: A 12 CYS SG : rot -40:sc= -0.43! USER MOD Set 5.2: A 15 CYS SG : rot -84:sc= 1.29 USER MOD Set 5.3: A 61 TYR OH : rot -46:sc= 0.126 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= 0.848 K(o=0.85,f=-2.9!) USER MOD Single : A 10 MET CE :methyl -178:sc= -0.957 (180deg=-0.977) USER MOD Single : A 11 THR OG1 : rot 64:sc= 0.627 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 -85:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.441 -12.544 -4.595 1.00 0.00 N ATOM 2 CA ALA A 1 7.420 -13.505 -4.196 1.00 0.00 C ATOM 3 C ALA A 1 6.020 -12.964 -4.468 1.00 0.00 C ATOM 4 O ALA A 1 5.533 -13.016 -5.596 1.00 0.00 O ATOM 5 CB ALA A 1 7.574 -13.857 -2.724 1.00 0.00 C ATOM 0 H1 ALA A 1 9.384 -12.937 -4.399 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.353 -12.346 -5.612 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.316 -11.662 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 1 7.554 -14.408 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.805 -14.575 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.559 -14.293 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.469 -12.955 -2.121 1.00 0.00 H new ATOM 11 N GLY A 2 5.378 -12.444 -3.426 1.00 0.00 N ATOM 12 CA GLY A 2 4.062 -11.856 -3.584 1.00 0.00 C ATOM 13 C GLY A 2 3.453 -11.431 -2.264 1.00 0.00 C ATOM 14 O GLY A 2 3.170 -12.268 -1.404 1.00 0.00 O ATOM 0 H GLY A 2 5.747 -12.420 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.131 -10.991 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.402 -12.575 -4.070 1.00 0.00 H new ATOM 18 N LEU A 3 3.254 -10.128 -2.097 1.00 0.00 N ATOM 19 CA LEU A 3 2.695 -9.592 -0.860 1.00 0.00 C ATOM 20 C LEU A 3 1.267 -9.098 -1.077 1.00 0.00 C ATOM 21 O LEU A 3 0.951 -8.526 -2.118 1.00 0.00 O ATOM 22 CB LEU A 3 3.578 -8.457 -0.325 1.00 0.00 C ATOM 23 CG LEU A 3 4.734 -8.901 0.581 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.724 -9.744 -0.212 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.418 -7.678 1.169 1.00 0.00 C ATOM 0 H LEU A 3 3.471 -9.423 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 3 2.668 -10.394 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.991 -7.909 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.950 -7.760 0.230 1.00 0.00 H new ATOM 0 HG LEU A 3 4.344 -9.510 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.541 -10.055 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.218 -10.626 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.123 -9.156 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.239 -7.994 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.808 -7.056 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.699 -7.105 1.754 1.00 0.00 H new ATOM 37 N SER A 4 0.413 -9.322 -0.083 1.00 0.00 N ATOM 38 CA SER A 4 -0.970 -8.867 -0.150 1.00 0.00 C ATOM 39 C SER A 4 -1.410 -8.269 1.183 1.00 0.00 C ATOM 40 O SER A 4 -1.192 -8.857 2.242 1.00 0.00 O ATOM 41 CB SER A 4 -1.881 -10.014 -0.543 1.00 0.00 C ATOM 42 OG SER A 4 -3.225 -9.621 -0.609 1.00 0.00 O ATOM 0 H SER A 4 0.655 -9.815 0.777 1.00 0.00 H new ATOM 0 HA SER A 4 -1.039 -8.089 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.571 -10.407 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.776 -10.824 0.179 1.00 0.00 H new ATOM 0 HG SER A 4 -3.778 -10.388 -0.867 1.00 0.00 H new ATOM 48 N PHE A 5 -2.031 -7.095 1.121 1.00 0.00 N ATOM 49 CA PHE A 5 -2.534 -6.433 2.320 1.00 0.00 C ATOM 50 C PHE A 5 -4.011 -6.085 2.170 1.00 0.00 C ATOM 51 O PHE A 5 -4.457 -5.669 1.100 1.00 0.00 O ATOM 52 CB PHE A 5 -1.721 -5.171 2.616 1.00 0.00 C ATOM 53 CG PHE A 5 -0.266 -5.435 2.878 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.187 -5.690 4.164 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.654 -5.428 1.840 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.526 -5.931 4.407 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.993 -5.671 2.081 1.00 0.00 C ATOM 58 CZ PHE A 5 2.428 -5.922 3.364 1.00 0.00 C ATOM 0 H PHE A 5 -2.198 -6.583 0.255 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.427 -7.123 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.810 -4.486 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.151 -4.668 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.515 -5.700 4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.320 -5.230 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.866 -6.126 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.699 -5.664 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.474 -6.112 3.553 1.00 0.00 H new ATOM 68 N HIS A 6 -4.766 -6.260 3.249 1.00 0.00 N ATOM 69 CA HIS A 6 -6.164 -5.845 3.280 1.00 0.00 C ATOM 70 C HIS A 6 -6.350 -4.626 4.178 1.00 0.00 C ATOM 71 O HIS A 6 -5.972 -4.641 5.349 1.00 0.00 O ATOM 72 CB HIS A 6 -7.061 -6.992 3.756 1.00 0.00 C ATOM 73 CG HIS A 6 -8.498 -6.604 3.923 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.334 -6.370 2.852 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.245 -6.409 5.034 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.535 -6.048 3.298 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.508 -6.063 4.619 1.00 0.00 N ATOM 0 H HIS A 6 -4.434 -6.686 4.114 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.454 -5.574 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.996 -7.812 3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.682 -7.367 4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.911 -6.507 6.056 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.393 -5.812 2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.296 -5.852 5.231 1.00 0.00 H new ATOM 84 N VAL A 7 -6.937 -3.570 3.622 1.00 0.00 N ATOM 85 CA VAL A 7 -7.105 -2.318 4.348 1.00 0.00 C ATOM 86 C VAL A 7 -8.551 -1.839 4.291 1.00 0.00 C ATOM 87 O VAL A 7 -9.098 -1.613 3.213 1.00 0.00 O ATOM 88 CB VAL A 7 -6.186 -1.213 3.791 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.405 0.091 4.543 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.728 -1.639 3.880 1.00 0.00 C ATOM 0 H VAL A 7 -7.304 -3.558 2.670 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.831 -2.516 5.384 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.436 -1.053 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.748 0.860 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.443 0.405 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.181 -0.056 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.093 -0.847 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.466 -1.826 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.579 -2.550 3.300 1.00 0.00 H new ATOM 100 N GLU A 8 -9.165 -1.688 5.461 1.00 0.00 N ATOM 101 CA GLU A 8 -10.583 -1.355 5.541 1.00 0.00 C ATOM 102 C GLU A 8 -10.829 0.086 5.105 1.00 0.00 C ATOM 103 O GLU A 8 -11.893 0.414 4.579 1.00 0.00 O ATOM 104 CB GLU A 8 -11.107 -1.575 6.961 1.00 0.00 C ATOM 105 CG GLU A 8 -11.173 -3.034 7.389 1.00 0.00 C ATOM 106 CD GLU A 8 -12.266 -3.768 6.661 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.083 -3.122 6.050 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.219 -4.975 6.624 1.00 0.00 O ATOM 0 H GLU A 8 -8.704 -1.791 6.365 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.123 -2.016 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.468 -1.033 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.104 -1.141 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.215 -3.516 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.346 -3.093 8.464 1.00 0.00 H new ATOM 115 N ASP A 9 -9.838 0.943 5.326 1.00 0.00 N ATOM 116 CA ASP A 9 -9.996 2.373 5.093 1.00 0.00 C ATOM 117 C ASP A 9 -9.993 2.684 3.600 1.00 0.00 C ATOM 118 O ASP A 9 -10.280 3.808 3.190 1.00 0.00 O ATOM 119 CB ASP A 9 -8.890 3.159 5.799 1.00 0.00 C ATOM 120 CG ASP A 9 -9.026 3.213 7.315 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.055 2.824 7.814 1.00 0.00 O ATOM 122 OD2 ASP A 9 -8.049 3.493 7.969 1.00 0.00 O ATOM 0 H ASP A 9 -8.916 0.671 5.667 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.958 2.677 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.927 2.713 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.880 4.177 5.411 1.00 0.00 H new ATOM 127 N MET A 10 -9.664 1.681 2.793 1.00 0.00 N ATOM 128 CA MET A 10 -9.677 1.832 1.342 1.00 0.00 C ATOM 129 C MET A 10 -11.083 2.152 0.843 1.00 0.00 C ATOM 130 O MET A 10 -12.032 1.415 1.114 1.00 0.00 O ATOM 131 CB MET A 10 -9.151 0.564 0.672 1.00 0.00 C ATOM 132 CG MET A 10 -7.663 0.317 0.873 1.00 0.00 C ATOM 133 SD MET A 10 -6.635 1.520 0.005 1.00 0.00 S ATOM 134 CE MET A 10 -6.695 0.875 -1.664 1.00 0.00 C ATOM 0 H MET A 10 -9.385 0.755 3.118 1.00 0.00 H new ATOM 0 HA MET A 10 -9.024 2.664 1.079 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.704 -0.292 1.058 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.356 0.621 -0.397 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.434 0.350 1.938 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.415 -0.686 0.525 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.076 1.492 -2.315 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.322 -0.149 -1.672 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.724 0.889 -2.023 1.00 0.00 H new ATOM 144 N THR A 11 -11.209 3.255 0.110 1.00 0.00 N ATOM 145 CA THR A 11 -12.516 3.803 -0.226 1.00 0.00 C ATOM 146 C THR A 11 -12.595 4.172 -1.703 1.00 0.00 C ATOM 147 O THR A 11 -13.579 3.866 -2.377 1.00 0.00 O ATOM 148 CB THR A 11 -12.843 5.047 0.621 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.802 4.705 2.013 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.225 5.580 0.275 1.00 0.00 C ATOM 0 H THR A 11 -10.421 3.785 -0.262 1.00 0.00 H new ATOM 0 HA THR A 11 -13.248 3.025 -0.009 1.00 0.00 H new ATOM 0 HB THR A 11 -12.103 5.818 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.891 4.439 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.439 6.459 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.256 5.852 -0.780 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.972 4.811 0.473 1.00 0.00 H new ATOM 158 N CYS A 12 -11.552 4.829 -2.199 1.00 0.00 N ATOM 159 CA CYS A 12 -11.566 5.375 -3.552 1.00 0.00 C ATOM 160 C CYS A 12 -10.162 5.392 -4.146 1.00 0.00 C ATOM 161 O CYS A 12 -9.182 5.107 -3.460 1.00 0.00 O ATOM 162 CB CYS A 12 -12.079 6.800 -3.337 1.00 0.00 C ATOM 163 SG CYS A 12 -11.004 7.838 -2.318 1.00 0.00 S ATOM 0 H CYS A 12 -10.687 4.996 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.174 4.794 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.208 7.277 -4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.064 6.752 -2.872 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.539 7.138 -1.326 1.00 0.00 H new ATOM 169 N GLY A 13 -10.073 5.727 -5.429 1.00 0.00 N ATOM 170 CA GLY A 13 -8.790 5.725 -6.109 1.00 0.00 C ATOM 171 C GLY A 13 -7.792 6.669 -5.468 1.00 0.00 C ATOM 172 O GLY A 13 -6.583 6.456 -5.553 1.00 0.00 O ATOM 0 H GLY A 13 -10.866 6.000 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.383 4.714 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.935 6.008 -7.152 1.00 0.00 H new ATOM 176 N HIS A 14 -8.300 7.716 -4.826 1.00 0.00 N ATOM 177 CA HIS A 14 -7.448 8.658 -4.108 1.00 0.00 C ATOM 178 C HIS A 14 -6.664 7.950 -3.007 1.00 0.00 C ATOM 179 O HIS A 14 -5.449 8.112 -2.895 1.00 0.00 O ATOM 180 CB HIS A 14 -8.282 9.797 -3.511 1.00 0.00 C ATOM 181 CG HIS A 14 -7.480 10.768 -2.701 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.645 11.704 -3.275 1.00 0.00 N ATOM 183 CD2 HIS A 14 -7.383 10.947 -1.363 1.00 0.00 C ATOM 184 CE1 HIS A 14 -6.071 12.419 -2.323 1.00 0.00 C ATOM 185 NE2 HIS A 14 -6.501 11.980 -1.154 1.00 0.00 N ATOM 0 H HIS A 14 -9.296 7.934 -4.788 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.740 9.080 -4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.779 10.334 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.065 9.372 -2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.902 10.383 -0.602 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.369 13.226 -2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.224 12.348 -0.244 1.00 0.00 H new ATOM 192 N CYS A 15 -7.367 7.164 -2.199 1.00 0.00 N ATOM 193 CA CYS A 15 -6.735 6.426 -1.109 1.00 0.00 C ATOM 194 C CYS A 15 -5.713 5.432 -1.648 1.00 0.00 C ATOM 195 O CYS A 15 -4.650 5.238 -1.058 1.00 0.00 O ATOM 196 CB CYS A 15 -7.914 5.695 -0.467 1.00 0.00 C ATOM 197 SG CYS A 15 -9.151 6.780 0.284 1.00 0.00 S ATOM 0 H CYS A 15 -8.374 7.021 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.190 7.065 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.400 5.081 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.533 5.017 0.296 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.774 7.102 1.486 1.00 0.00 H new ATOM 203 N ALA A 16 -6.041 4.802 -2.772 1.00 0.00 N ATOM 204 CA ALA A 16 -5.115 3.896 -3.438 1.00 0.00 C ATOM 205 C ALA A 16 -3.874 4.637 -3.923 1.00 0.00 C ATOM 206 O ALA A 16 -2.757 4.133 -3.821 1.00 0.00 O ATOM 207 CB ALA A 16 -5.805 3.198 -4.602 1.00 0.00 C ATOM 0 H ALA A 16 -6.942 4.903 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.797 3.145 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.102 2.524 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.656 2.627 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.152 3.942 -5.319 1.00 0.00 H new ATOM 213 N GLY A 17 -4.080 5.840 -4.455 1.00 0.00 N ATOM 214 CA GLY A 17 -2.968 6.631 -4.949 1.00 0.00 C ATOM 215 C GLY A 17 -2.009 7.037 -3.848 1.00 0.00 C ATOM 216 O GLY A 17 -0.795 7.054 -4.046 1.00 0.00 O ATOM 0 H GLY A 17 -4.996 6.279 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.428 6.060 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.352 7.525 -5.440 1.00 0.00 H new ATOM 220 N VAL A 18 -2.556 7.369 -2.682 1.00 0.00 N ATOM 221 CA VAL A 18 -1.744 7.809 -1.554 1.00 0.00 C ATOM 222 C VAL A 18 -0.848 6.683 -1.048 1.00 0.00 C ATOM 223 O VAL A 18 0.344 6.881 -0.816 1.00 0.00 O ATOM 224 CB VAL A 18 -2.618 8.319 -0.392 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.764 8.589 0.837 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.371 9.575 -0.803 1.00 0.00 C ATOM 0 H VAL A 18 -3.558 7.341 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.123 8.629 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.346 7.547 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.397 8.949 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.268 7.669 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.014 9.344 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.983 9.921 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.659 10.353 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.012 9.352 -1.656 1.00 0.00 H new ATOM 236 N ILE A 19 -1.432 5.502 -0.881 1.00 0.00 N ATOM 237 CA ILE A 19 -0.675 4.332 -0.454 1.00 0.00 C ATOM 238 C ILE A 19 0.350 3.925 -1.505 1.00 0.00 C ATOM 239 O ILE A 19 1.514 3.677 -1.190 1.00 0.00 O ATOM 240 CB ILE A 19 -1.602 3.136 -0.162 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.465 3.418 1.071 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.787 1.867 0.034 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.577 2.416 1.280 1.00 0.00 C ATOM 0 H ILE A 19 -2.426 5.330 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.157 4.610 0.464 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.261 2.991 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.827 3.428 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.899 4.414 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.457 1.032 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.215 1.659 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.104 1.999 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.144 2.682 2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.239 2.421 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.151 1.420 1.405 1.00 0.00 H new ATOM 255 N LYS A 20 -0.089 3.859 -2.759 1.00 0.00 N ATOM 256 CA LYS A 20 0.792 3.494 -3.860 1.00 0.00 C ATOM 257 C LYS A 20 1.966 4.464 -3.964 1.00 0.00 C ATOM 258 O LYS A 20 3.106 4.053 -4.175 1.00 0.00 O ATOM 259 CB LYS A 20 0.017 3.459 -5.178 1.00 0.00 C ATOM 260 CG LYS A 20 0.834 2.996 -6.376 1.00 0.00 C ATOM 261 CD LYS A 20 -0.043 2.804 -7.604 1.00 0.00 C ATOM 262 CE LYS A 20 0.784 2.422 -8.823 1.00 0.00 C ATOM 263 NZ LYS A 20 -0.071 2.112 -10.001 1.00 0.00 N ATOM 0 H LYS A 20 -1.051 4.054 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 20 1.187 2.498 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.842 2.798 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.373 4.456 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.612 3.728 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.337 2.059 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.783 2.028 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.592 3.723 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.462 3.239 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.402 1.556 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.525 1.775 -10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.758 1.374 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.579 2.970 -10.297 1.00 0.00 H new ATOM 277 N GLY A 21 1.677 5.753 -3.811 1.00 0.00 N ATOM 278 CA GLY A 21 2.726 6.756 -3.843 1.00 0.00 C ATOM 279 C GLY A 21 3.651 6.665 -2.645 1.00 0.00 C ATOM 280 O GLY A 21 4.863 6.831 -2.775 1.00 0.00 O ATOM 0 H GLY A 21 0.737 6.120 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.308 6.640 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.275 7.748 -3.876 1.00 0.00 H new ATOM 284 N ALA A 22 3.077 6.402 -1.476 1.00 0.00 N ATOM 285 CA ALA A 22 3.845 6.381 -0.237 1.00 0.00 C ATOM 286 C ALA A 22 4.901 5.283 -0.264 1.00 0.00 C ATOM 287 O ALA A 22 6.059 5.512 0.091 1.00 0.00 O ATOM 288 CB ALA A 22 2.918 6.194 0.955 1.00 0.00 C ATOM 0 H ALA A 22 2.084 6.201 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 22 4.357 7.339 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.505 6.180 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.204 7.016 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.381 5.251 0.854 1.00 0.00 H new ATOM 294 N ILE A 23 4.497 4.088 -0.685 1.00 0.00 N ATOM 295 CA ILE A 23 5.414 2.960 -0.774 1.00 0.00 C ATOM 296 C ILE A 23 6.441 3.170 -1.881 1.00 0.00 C ATOM 297 O ILE A 23 7.635 2.942 -1.685 1.00 0.00 O ATOM 298 CB ILE A 23 4.662 1.640 -1.028 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.840 1.249 0.203 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.639 0.534 -1.394 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.868 0.118 -0.046 1.00 0.00 C ATOM 0 H ILE A 23 3.540 3.877 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 23 5.927 2.896 0.185 1.00 0.00 H new ATOM 0 HB ILE A 23 3.979 1.785 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.519 0.962 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.287 2.121 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.091 -0.392 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.182 0.812 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.346 0.388 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.323 -0.102 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.164 0.408 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.416 -0.769 -0.364 1.00 0.00 H new ATOM 313 N GLU A 24 5.969 3.609 -3.044 1.00 0.00 N ATOM 314 CA GLU A 24 6.850 3.865 -4.178 1.00 0.00 C ATOM 315 C GLU A 24 7.890 4.926 -3.830 1.00 0.00 C ATOM 316 O GLU A 24 9.055 4.818 -4.213 1.00 0.00 O ATOM 317 CB GLU A 24 6.038 4.301 -5.400 1.00 0.00 C ATOM 318 CG GLU A 24 6.865 4.513 -6.660 1.00 0.00 C ATOM 319 CD GLU A 24 5.992 4.863 -7.833 1.00 0.00 C ATOM 320 OE1 GLU A 24 4.798 4.917 -7.665 1.00 0.00 O ATOM 321 OE2 GLU A 24 6.526 5.185 -8.869 1.00 0.00 O ATOM 0 H GLU A 24 4.983 3.795 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 24 7.372 2.938 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.276 3.548 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.516 5.228 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.590 5.310 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.432 3.609 -6.882 1.00 0.00 H new ATOM 328 N LYS A 25 7.460 5.952 -3.104 1.00 0.00 N ATOM 329 CA LYS A 25 8.325 7.082 -2.787 1.00 0.00 C ATOM 330 C LYS A 25 9.386 6.687 -1.766 1.00 0.00 C ATOM 331 O LYS A 25 10.572 6.965 -1.947 1.00 0.00 O ATOM 332 CB LYS A 25 7.500 8.260 -2.264 1.00 0.00 C ATOM 333 CG LYS A 25 8.317 9.504 -1.937 1.00 0.00 C ATOM 334 CD LYS A 25 7.420 10.663 -1.534 1.00 0.00 C ATOM 335 CE LYS A 25 8.235 11.901 -1.186 1.00 0.00 C ATOM 336 NZ LYS A 25 7.372 13.033 -0.754 1.00 0.00 N ATOM 0 H LYS A 25 6.516 6.024 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 25 8.829 7.387 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.747 8.520 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.966 7.945 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.014 9.282 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.914 9.788 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.734 10.894 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.812 10.373 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.940 11.659 -0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.823 12.203 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.966 13.856 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.716 13.282 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.830 12.754 0.088 1.00 0.00 H new ATOM 350 N THR A 26 8.955 6.035 -0.691 1.00 0.00 N ATOM 351 CA THR A 26 9.805 5.830 0.473 1.00 0.00 C ATOM 352 C THR A 26 10.650 4.570 0.322 1.00 0.00 C ATOM 353 O THR A 26 11.628 4.376 1.045 1.00 0.00 O ATOM 354 CB THR A 26 8.978 5.731 1.768 1.00 0.00 C ATOM 355 OG1 THR A 26 8.081 4.616 1.680 1.00 0.00 O ATOM 356 CG2 THR A 26 8.177 7.004 1.987 1.00 0.00 C ATOM 0 H THR A 26 8.019 5.639 -0.603 1.00 0.00 H new ATOM 0 HA THR A 26 10.461 6.698 0.540 1.00 0.00 H new ATOM 0 HB THR A 26 9.659 5.594 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.263 4.890 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.599 6.916 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.857 7.853 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.501 7.157 1.146 1.00 0.00 H new ATOM 364 N VAL A 27 10.269 3.717 -0.623 1.00 0.00 N ATOM 365 CA VAL A 27 11.036 2.515 -0.923 1.00 0.00 C ATOM 366 C VAL A 27 11.466 2.488 -2.386 1.00 0.00 C ATOM 367 O VAL A 27 10.642 2.458 -3.300 1.00 0.00 O ATOM 368 CB VAL A 27 10.234 1.239 -0.609 1.00 0.00 C ATOM 369 CG1 VAL A 27 11.051 0.000 -0.942 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.813 1.220 0.853 1.00 0.00 C ATOM 0 H VAL A 27 9.433 3.837 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 27 11.921 2.540 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 27 9.336 1.237 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.468 -0.892 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.305 0.006 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.966 -0.003 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.247 0.311 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.699 1.246 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.191 2.090 1.064 1.00 0.00 H new ATOM 380 N PRO A 28 12.787 2.499 -2.615 1.00 0.00 N ATOM 381 CA PRO A 28 13.356 2.461 -3.965 1.00 0.00 C ATOM 382 C PRO A 28 13.179 1.101 -4.632 1.00 0.00 C ATOM 383 O PRO A 28 13.482 0.066 -4.040 1.00 0.00 O ATOM 384 CB PRO A 28 14.835 2.802 -3.752 1.00 0.00 C ATOM 385 CG PRO A 28 15.122 2.352 -2.360 1.00 0.00 C ATOM 386 CD PRO A 28 13.857 2.613 -1.587 1.00 0.00 C ATOM 0 HA PRO A 28 12.857 3.157 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.469 2.288 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.018 3.870 -3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.386 1.295 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.962 2.901 -1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.721 1.888 -0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.866 3.601 -1.126 1.00 0.00 H new ATOM 394 N GLY A 29 12.687 1.112 -5.867 1.00 0.00 N ATOM 395 CA GLY A 29 12.534 -0.123 -6.615 1.00 0.00 C ATOM 396 C GLY A 29 11.362 -0.952 -6.130 1.00 0.00 C ATOM 397 O GLY A 29 11.261 -2.139 -6.442 1.00 0.00 O ATOM 0 H GLY A 29 12.392 1.953 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.398 0.110 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.449 -0.710 -6.533 1.00 0.00 H new ATOM 401 N ALA A 30 10.473 -0.327 -5.366 1.00 0.00 N ATOM 402 CA ALA A 30 9.320 -1.024 -4.807 1.00 0.00 C ATOM 403 C ALA A 30 8.217 -1.182 -5.849 1.00 0.00 C ATOM 404 O ALA A 30 7.855 -0.225 -6.532 1.00 0.00 O ATOM 405 CB ALA A 30 8.795 -0.283 -3.587 1.00 0.00 C ATOM 0 H ALA A 30 10.528 0.661 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 30 9.641 -2.020 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.935 -0.815 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.578 -0.227 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.496 0.725 -3.874 1.00 0.00 H new ATOM 411 N ALA A 31 7.687 -2.395 -5.963 1.00 0.00 N ATOM 412 CA ALA A 31 6.512 -2.641 -6.789 1.00 0.00 C ATOM 413 C ALA A 31 5.237 -2.604 -5.954 1.00 0.00 C ATOM 414 O ALA A 31 4.994 -3.491 -5.135 1.00 0.00 O ATOM 415 CB ALA A 31 6.638 -3.978 -7.504 1.00 0.00 C ATOM 0 H ALA A 31 8.053 -3.223 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 31 6.451 -1.848 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.753 -4.148 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.523 -3.969 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.728 -4.777 -6.768 1.00 0.00 H new ATOM 421 N VAL A 32 4.425 -1.573 -6.165 1.00 0.00 N ATOM 422 CA VAL A 32 3.192 -1.402 -5.407 1.00 0.00 C ATOM 423 C VAL A 32 2.041 -0.986 -6.317 1.00 0.00 C ATOM 424 O VAL A 32 2.181 -0.078 -7.137 1.00 0.00 O ATOM 425 CB VAL A 32 3.355 -0.355 -4.289 1.00 0.00 C ATOM 426 CG1 VAL A 32 3.844 0.966 -4.865 1.00 0.00 C ATOM 427 CG2 VAL A 32 2.042 -0.157 -3.548 1.00 0.00 C ATOM 0 H VAL A 32 4.600 -0.843 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 32 2.964 -2.367 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 32 4.099 -0.721 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.954 1.695 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.807 0.816 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.122 1.335 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.176 0.586 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.279 0.187 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.729 -1.102 -3.104 1.00 0.00 H new ATOM 437 N HIS A 33 0.904 -1.656 -6.165 1.00 0.00 N ATOM 438 CA HIS A 33 -0.338 -1.204 -6.785 1.00 0.00 C ATOM 439 C HIS A 33 -1.534 -1.502 -5.886 1.00 0.00 C ATOM 440 O HIS A 33 -1.736 -2.640 -5.462 1.00 0.00 O ATOM 441 CB HIS A 33 -0.532 -1.863 -8.154 1.00 0.00 C ATOM 442 CG HIS A 33 -1.764 -1.407 -8.872 1.00 0.00 C ATOM 443 ND1 HIS A 33 -1.854 -0.178 -9.490 1.00 0.00 N ATOM 444 CD2 HIS A 33 -2.958 -2.016 -9.068 1.00 0.00 C ATOM 445 CE1 HIS A 33 -3.051 -0.050 -10.038 1.00 0.00 C ATOM 446 NE2 HIS A 33 -3.739 -1.151 -9.795 1.00 0.00 N ATOM 0 H HIS A 33 0.816 -2.513 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.269 -0.125 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.339 -1.653 -8.775 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.577 -2.944 -8.024 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.242 -2.997 -8.718 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.405 0.808 -10.590 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.696 -1.330 -10.098 1.00 0.00 H new ATOM 453 N ALA A 34 -2.324 -0.473 -5.600 1.00 0.00 N ATOM 454 CA ALA A 34 -3.447 -0.605 -4.678 1.00 0.00 C ATOM 455 C ALA A 34 -4.770 -0.672 -5.431 1.00 0.00 C ATOM 456 O ALA A 34 -4.938 -0.031 -6.470 1.00 0.00 O ATOM 457 CB ALA A 34 -3.456 0.554 -3.691 1.00 0.00 C ATOM 0 H ALA A 34 -2.208 0.461 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.326 -1.537 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.299 0.444 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.526 0.555 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.550 1.494 -4.235 1.00 0.00 H new ATOM 463 N ASP A 35 -5.707 -1.450 -4.903 1.00 0.00 N ATOM 464 CA ASP A 35 -7.022 -1.590 -5.519 1.00 0.00 C ATOM 465 C ASP A 35 -8.129 -1.371 -4.491 1.00 0.00 C ATOM 466 O ASP A 35 -8.367 -2.201 -3.613 1.00 0.00 O ATOM 467 CB ASP A 35 -7.169 -2.967 -6.168 1.00 0.00 C ATOM 468 CG ASP A 35 -8.496 -3.189 -6.881 1.00 0.00 C ATOM 469 OD1 ASP A 35 -9.340 -2.327 -6.806 1.00 0.00 O ATOM 470 OD2 ASP A 35 -8.599 -4.138 -7.620 1.00 0.00 O ATOM 0 H ASP A 35 -5.581 -1.994 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.114 -0.828 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.359 -3.106 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.051 -3.731 -5.400 1.00 0.00 H new ATOM 475 N PRO A 36 -8.822 -0.228 -4.601 1.00 0.00 N ATOM 476 CA PRO A 36 -9.856 0.165 -3.640 1.00 0.00 C ATOM 477 C PRO A 36 -11.167 -0.583 -3.859 1.00 0.00 C ATOM 478 O PRO A 36 -12.034 -0.603 -2.988 1.00 0.00 O ATOM 479 CB PRO A 36 -10.017 1.671 -3.867 1.00 0.00 C ATOM 480 CG PRO A 36 -9.660 1.871 -5.300 1.00 0.00 C ATOM 481 CD PRO A 36 -8.568 0.874 -5.582 1.00 0.00 C ATOM 0 HA PRO A 36 -9.576 -0.078 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.037 1.997 -3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.362 2.244 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.521 1.704 -5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.318 2.890 -5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.613 0.512 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.580 1.313 -5.442 1.00 0.00 H new ATOM 489 N ALA A 37 -11.303 -1.198 -5.029 1.00 0.00 N ATOM 490 CA ALA A 37 -12.496 -1.970 -5.353 1.00 0.00 C ATOM 491 C ALA A 37 -12.609 -3.204 -4.461 1.00 0.00 C ATOM 492 O ALA A 37 -13.701 -3.569 -4.027 1.00 0.00 O ATOM 493 CB ALA A 37 -12.482 -2.375 -6.819 1.00 0.00 C ATOM 0 H ALA A 37 -10.601 -1.177 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.367 -1.340 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.379 -2.951 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.457 -1.482 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.600 -2.983 -7.020 1.00 0.00 H new ATOM 499 N SER A 38 -11.473 -3.841 -4.196 1.00 0.00 N ATOM 500 CA SER A 38 -11.428 -4.968 -3.272 1.00 0.00 C ATOM 501 C SER A 38 -10.928 -4.524 -1.899 1.00 0.00 C ATOM 502 O SER A 38 -10.933 -5.300 -0.945 1.00 0.00 O ATOM 503 CB SER A 38 -10.543 -6.067 -3.828 1.00 0.00 C ATOM 504 OG SER A 38 -9.249 -5.609 -4.110 1.00 0.00 O ATOM 0 H SER A 38 -10.572 -3.596 -4.608 1.00 0.00 H new ATOM 0 HA SER A 38 -12.439 -5.358 -3.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.489 -6.886 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.991 -6.468 -4.737 1.00 0.00 H new ATOM 0 HG SER A 38 -8.711 -6.347 -4.464 1.00 0.00 H new ATOM 510 N ARG A 39 -10.498 -3.269 -1.810 1.00 0.00 N ATOM 511 CA ARG A 39 -9.987 -2.724 -0.558 1.00 0.00 C ATOM 512 C ARG A 39 -8.704 -3.438 -0.140 1.00 0.00 C ATOM 513 O ARG A 39 -8.494 -3.716 1.041 1.00 0.00 O ATOM 514 CB ARG A 39 -11.030 -2.750 0.549 1.00 0.00 C ATOM 515 CG ARG A 39 -12.274 -1.919 0.276 1.00 0.00 C ATOM 516 CD ARG A 39 -13.276 -1.938 1.372 1.00 0.00 C ATOM 517 NE ARG A 39 -14.533 -1.280 1.051 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.594 -1.213 1.879 1.00 0.00 C ATOM 519 NH1 ARG A 39 -15.570 -1.791 3.059 1.00 0.00 N ATOM 520 NH2 ARG A 39 -16.670 -0.569 1.462 1.00 0.00 N ATOM 0 H ARG A 39 -10.493 -2.611 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.748 -1.675 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.331 -3.783 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.569 -2.396 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.974 -0.887 0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.745 -2.282 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.481 -2.974 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.844 -1.459 2.251 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.617 -0.839 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.739 -2.300 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.382 -1.730 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.681 -0.140 0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.489 -0.501 2.066 1.00 0.00 H new ATOM 534 N THR A 40 -7.848 -3.727 -1.115 1.00 0.00 N ATOM 535 CA THR A 40 -6.602 -4.433 -0.852 1.00 0.00 C ATOM 536 C THR A 40 -5.425 -3.745 -1.538 1.00 0.00 C ATOM 537 O THR A 40 -5.613 -2.882 -2.395 1.00 0.00 O ATOM 538 CB THR A 40 -6.673 -5.898 -1.320 1.00 0.00 C ATOM 539 OG1 THR A 40 -6.872 -5.940 -2.739 1.00 0.00 O ATOM 540 CG2 THR A 40 -7.817 -6.623 -0.629 1.00 0.00 C ATOM 0 H THR A 40 -7.996 -3.482 -2.094 1.00 0.00 H new ATOM 0 HA THR A 40 -6.451 -4.415 0.227 1.00 0.00 H new ATOM 0 HB THR A 40 -5.736 -6.392 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.806 -5.728 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.852 -7.657 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.662 -6.603 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.759 -6.129 -0.869 1.00 0.00 H new ATOM 548 N VAL A 41 -4.214 -4.136 -1.157 1.00 0.00 N ATOM 549 CA VAL A 41 -3.010 -3.644 -1.818 1.00 0.00 C ATOM 550 C VAL A 41 -2.157 -4.797 -2.335 1.00 0.00 C ATOM 551 O VAL A 41 -1.854 -5.738 -1.601 1.00 0.00 O ATOM 552 CB VAL A 41 -2.160 -2.774 -0.872 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.941 -2.230 -1.601 1.00 0.00 C ATOM 554 CG2 VAL A 41 -2.994 -1.635 -0.306 1.00 0.00 C ATOM 0 H VAL A 41 -4.040 -4.791 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.340 -3.033 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.818 -3.396 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.352 -1.618 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.333 -3.059 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.264 -1.622 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.379 -1.030 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.364 -1.014 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.838 -2.043 0.250 1.00 0.00 H new ATOM 564 N VAL A 42 -1.773 -4.717 -3.605 1.00 0.00 N ATOM 565 CA VAL A 42 -0.974 -5.765 -4.229 1.00 0.00 C ATOM 566 C VAL A 42 0.487 -5.343 -4.354 1.00 0.00 C ATOM 567 O VAL A 42 0.802 -4.347 -5.004 1.00 0.00 O ATOM 568 CB VAL A 42 -1.514 -6.131 -5.624 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.646 -7.202 -6.268 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.957 -6.604 -5.530 1.00 0.00 C ATOM 0 H VAL A 42 -2.002 -3.938 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.042 -6.640 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.483 -5.239 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.043 -7.448 -7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.374 -6.831 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.647 -8.095 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.322 -6.858 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.011 -7.483 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.574 -5.810 -5.109 1.00 0.00 H new ATOM 580 N VAL A 43 1.373 -6.107 -3.725 1.00 0.00 N ATOM 581 CA VAL A 43 2.752 -5.676 -3.529 1.00 0.00 C ATOM 582 C VAL A 43 3.733 -6.699 -4.090 1.00 0.00 C ATOM 583 O VAL A 43 3.646 -7.888 -3.789 1.00 0.00 O ATOM 584 CB VAL A 43 3.064 -5.441 -2.039 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.526 -5.064 -1.854 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.160 -4.358 -1.470 1.00 0.00 C ATOM 0 H VAL A 43 1.161 -7.028 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 43 2.867 -4.735 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 43 2.875 -6.368 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.729 -4.902 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.159 -5.870 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.739 -4.150 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.394 -4.205 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.319 -3.428 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.119 -4.664 -1.569 1.00 0.00 H new ATOM 596 N GLY A 44 4.668 -6.226 -4.908 1.00 0.00 N ATOM 597 CA GLY A 44 5.697 -7.100 -5.442 1.00 0.00 C ATOM 598 C GLY A 44 7.003 -6.993 -4.681 1.00 0.00 C ATOM 599 O GLY A 44 7.008 -6.893 -3.455 1.00 0.00 O ATOM 0 H GLY A 44 4.732 -5.254 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.345 -8.131 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.870 -6.854 -6.490 1.00 0.00 H new ATOM 603 N GLY A 45 8.115 -7.016 -5.411 1.00 0.00 N ATOM 604 CA GLY A 45 9.413 -6.846 -4.787 1.00 0.00 C ATOM 605 C GLY A 45 9.511 -5.559 -3.989 1.00 0.00 C ATOM 606 O GLY A 45 9.413 -4.466 -4.547 1.00 0.00 O ATOM 0 H GLY A 45 8.139 -7.149 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.610 -7.693 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.186 -6.853 -5.556 1.00 0.00 H new ATOM 610 N VAL A 46 9.703 -5.689 -2.682 1.00 0.00 N ATOM 611 CA VAL A 46 9.763 -4.530 -1.799 1.00 0.00 C ATOM 612 C VAL A 46 10.687 -4.788 -0.613 1.00 0.00 C ATOM 613 O VAL A 46 11.188 -5.897 -0.435 1.00 0.00 O ATOM 614 CB VAL A 46 8.366 -4.146 -1.275 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.498 -3.623 -2.409 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.702 -5.338 -0.603 1.00 0.00 C ATOM 0 H VAL A 46 9.820 -6.585 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 46 10.158 -3.704 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 46 8.482 -3.354 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.515 -3.356 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.966 -2.742 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.391 -4.395 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.716 -5.048 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.599 -6.150 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.315 -5.671 0.235 1.00 0.00 H new ATOM 626 N SER A 47 10.907 -3.755 0.194 1.00 0.00 N ATOM 627 CA SER A 47 11.606 -3.913 1.463 1.00 0.00 C ATOM 628 C SER A 47 10.758 -4.704 2.456 1.00 0.00 C ATOM 629 O SER A 47 9.630 -5.094 2.152 1.00 0.00 O ATOM 630 CB SER A 47 11.965 -2.556 2.035 1.00 0.00 C ATOM 631 OG SER A 47 10.836 -1.856 2.481 1.00 0.00 O ATOM 0 H SER A 47 10.611 -2.800 -0.009 1.00 0.00 H new ATOM 0 HA SER A 47 12.524 -4.472 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.661 -2.685 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.479 -1.967 1.275 1.00 0.00 H new ATOM 0 HG SER A 47 11.099 -1.224 3.182 1.00 0.00 H new ATOM 637 N ASP A 48 11.309 -4.937 3.642 1.00 0.00 N ATOM 638 CA ASP A 48 10.635 -5.742 4.653 1.00 0.00 C ATOM 639 C ASP A 48 9.136 -5.460 4.662 1.00 0.00 C ATOM 640 O ASP A 48 8.711 -4.306 4.720 1.00 0.00 O ATOM 641 CB ASP A 48 11.231 -5.477 6.037 1.00 0.00 C ATOM 642 CG ASP A 48 10.612 -6.302 7.157 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.663 -7.003 6.897 1.00 0.00 O ATOM 644 OD2 ASP A 48 11.184 -6.348 8.220 1.00 0.00 O ATOM 0 H ASP A 48 12.221 -4.580 3.927 1.00 0.00 H new ATOM 0 HA ASP A 48 10.786 -6.792 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.302 -5.679 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.113 -4.419 6.273 1.00 0.00 H new ATOM 649 N ALA A 49 8.339 -6.523 4.602 1.00 0.00 N ATOM 650 CA ALA A 49 6.887 -6.390 4.602 1.00 0.00 C ATOM 651 C ALA A 49 6.412 -5.565 5.792 1.00 0.00 C ATOM 652 O ALA A 49 5.428 -4.829 5.697 1.00 0.00 O ATOM 653 CB ALA A 49 6.232 -7.763 4.612 1.00 0.00 C ATOM 0 H ALA A 49 8.675 -7.485 4.553 1.00 0.00 H new ATOM 0 HA ALA A 49 6.594 -5.867 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.148 -7.649 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.538 -8.319 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.540 -8.306 5.505 1.00 0.00 H new ATOM 659 N ALA A 50 7.113 -5.692 6.913 1.00 0.00 N ATOM 660 CA ALA A 50 6.809 -4.902 8.099 1.00 0.00 C ATOM 661 C ALA A 50 6.942 -3.409 7.815 1.00 0.00 C ATOM 662 O ALA A 50 6.120 -2.607 8.258 1.00 0.00 O ATOM 663 CB ALA A 50 7.718 -5.305 9.251 1.00 0.00 C ATOM 0 H ALA A 50 7.896 -6.335 7.025 1.00 0.00 H new ATOM 0 HA ALA A 50 5.775 -5.101 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.479 -4.706 10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.569 -6.360 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.758 -5.138 8.970 1.00 0.00 H new ATOM 669 N HIS A 51 7.984 -3.044 7.075 1.00 0.00 N ATOM 670 CA HIS A 51 8.171 -1.662 6.648 1.00 0.00 C ATOM 671 C HIS A 51 7.017 -1.206 5.762 1.00 0.00 C ATOM 672 O HIS A 51 6.529 -0.083 5.890 1.00 0.00 O ATOM 673 CB HIS A 51 9.501 -1.498 5.905 1.00 0.00 C ATOM 674 CG HIS A 51 9.850 -0.073 5.605 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.742 0.280 4.614 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.430 1.085 6.164 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.854 1.597 4.577 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.068 2.109 5.507 1.00 0.00 N ATOM 0 H HIS A 51 8.711 -3.685 6.759 1.00 0.00 H new ATOM 0 HA HIS A 51 8.191 -1.037 7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.298 -1.940 6.503 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.456 -2.057 4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.725 1.186 6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.482 2.159 3.901 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.953 3.103 5.705 1.00 0.00 H new ATOM 685 N ILE A 52 6.585 -2.084 4.862 1.00 0.00 N ATOM 686 CA ILE A 52 5.507 -1.761 3.936 1.00 0.00 C ATOM 687 C ILE A 52 4.195 -1.527 4.678 1.00 0.00 C ATOM 688 O ILE A 52 3.433 -0.621 4.340 1.00 0.00 O ATOM 689 CB ILE A 52 5.305 -2.878 2.894 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.546 -3.008 2.006 1.00 0.00 C ATOM 691 CG2 ILE A 52 4.070 -2.601 2.051 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.894 -1.745 1.252 1.00 0.00 C ATOM 0 H ILE A 52 6.965 -3.024 4.755 1.00 0.00 H new ATOM 0 HA ILE A 52 5.797 -0.845 3.421 1.00 0.00 H new ATOM 0 HB ILE A 52 5.157 -3.821 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.396 -3.296 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.386 -3.814 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.942 -3.399 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.192 -2.555 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.189 -1.650 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.784 -1.916 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.062 -1.467 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.088 -0.940 1.961 1.00 0.00 H new ATOM 704 N ALA A 53 3.942 -2.346 5.694 1.00 0.00 N ATOM 705 CA ALA A 53 2.745 -2.200 6.511 1.00 0.00 C ATOM 706 C ALA A 53 2.764 -0.885 7.283 1.00 0.00 C ATOM 707 O ALA A 53 1.733 -0.232 7.440 1.00 0.00 O ATOM 708 CB ALA A 53 2.615 -3.375 7.470 1.00 0.00 C ATOM 0 H ALA A 53 4.550 -3.117 5.970 1.00 0.00 H new ATOM 0 HA ALA A 53 1.881 -2.189 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.716 -3.253 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.547 -4.303 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.488 -3.411 8.121 1.00 0.00 H new ATOM 714 N GLU A 54 3.944 -0.503 7.763 1.00 0.00 N ATOM 715 CA GLU A 54 4.112 0.774 8.447 1.00 0.00 C ATOM 716 C GLU A 54 3.888 1.939 7.487 1.00 0.00 C ATOM 717 O GLU A 54 3.327 2.968 7.864 1.00 0.00 O ATOM 718 CB GLU A 54 5.504 0.866 9.076 1.00 0.00 C ATOM 719 CG GLU A 54 5.702 -0.020 10.296 1.00 0.00 C ATOM 720 CD GLU A 54 7.127 0.024 10.778 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.930 0.659 10.139 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.388 -0.484 11.842 1.00 0.00 O ATOM 0 H GLU A 54 4.796 -1.059 7.691 1.00 0.00 H new ATOM 0 HA GLU A 54 3.365 0.834 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.247 0.600 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.694 1.901 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.035 0.304 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.430 -1.047 10.051 1.00 0.00 H new ATOM 729 N ILE A 55 4.330 1.769 6.245 1.00 0.00 N ATOM 730 CA ILE A 55 4.140 2.788 5.221 1.00 0.00 C ATOM 731 C ILE A 55 2.661 2.970 4.896 1.00 0.00 C ATOM 732 O ILE A 55 2.184 4.094 4.733 1.00 0.00 O ATOM 733 CB ILE A 55 4.902 2.440 3.929 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.412 2.527 4.161 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.480 3.365 2.797 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.236 1.890 3.065 1.00 0.00 C ATOM 0 H ILE A 55 4.822 0.935 5.924 1.00 0.00 H new ATOM 0 HA ILE A 55 4.538 3.719 5.625 1.00 0.00 H new ATOM 0 HB ILE A 55 4.656 1.417 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.696 3.575 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.653 2.047 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.028 3.105 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.410 3.256 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.699 4.397 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.295 1.992 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.982 0.833 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.026 2.385 2.117 1.00 0.00 H new ATOM 748 N ILE A 56 1.939 1.858 4.806 1.00 0.00 N ATOM 749 CA ILE A 56 0.502 1.897 4.571 1.00 0.00 C ATOM 750 C ILE A 56 -0.219 2.637 5.693 1.00 0.00 C ATOM 751 O ILE A 56 -1.140 3.417 5.449 1.00 0.00 O ATOM 752 CB ILE A 56 -0.088 0.482 4.438 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.412 -0.188 3.155 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.609 0.534 4.456 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.114 -1.667 3.083 1.00 0.00 C ATOM 0 H ILE A 56 2.327 0.919 4.892 1.00 0.00 H new ATOM 0 HA ILE A 56 0.351 2.431 3.633 1.00 0.00 H new ATOM 0 HB ILE A 56 0.245 -0.112 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.043 0.307 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.489 -0.040 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.009 -0.476 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.947 0.971 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.962 1.144 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.498 -2.070 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.592 -2.176 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.964 -1.824 3.130 1.00 0.00 H new ATOM 767 N THR A 57 0.209 2.387 6.928 1.00 0.00 N ATOM 768 CA THR A 57 -0.281 3.145 8.073 1.00 0.00 C ATOM 769 C THR A 57 0.161 4.602 7.999 1.00 0.00 C ATOM 770 O THR A 57 -0.579 5.505 8.387 1.00 0.00 O ATOM 771 CB THR A 57 0.205 2.537 9.402 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.373 1.237 9.575 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.192 3.425 10.571 1.00 0.00 C ATOM 0 H THR A 57 0.893 1.667 7.160 1.00 0.00 H new ATOM 0 HA THR A 57 -1.369 3.097 8.039 1.00 0.00 H new ATOM 0 HB THR A 57 1.292 2.458 9.373 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.350 1.312 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.160 2.980 11.502 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.257 4.411 10.448 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.277 3.522 10.602 1.00 0.00 H new ATOM 781 N ALA A 58 1.372 4.824 7.497 1.00 0.00 N ATOM 782 CA ALA A 58 1.879 6.175 7.294 1.00 0.00 C ATOM 783 C ALA A 58 1.042 6.927 6.265 1.00 0.00 C ATOM 784 O ALA A 58 0.990 8.157 6.274 1.00 0.00 O ATOM 785 CB ALA A 58 3.338 6.132 6.862 1.00 0.00 C ATOM 0 H ALA A 58 2.020 4.085 7.224 1.00 0.00 H new ATOM 0 HA ALA A 58 1.808 6.709 8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.704 7.148 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.932 5.641 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.425 5.576 5.929 1.00 0.00 H new ATOM 791 N ALA A 59 0.390 6.180 5.379 1.00 0.00 N ATOM 792 CA ALA A 59 -0.524 6.771 4.410 1.00 0.00 C ATOM 793 C ALA A 59 -1.865 7.108 5.054 1.00 0.00 C ATOM 794 O ALA A 59 -2.708 7.767 4.446 1.00 0.00 O ATOM 795 CB ALA A 59 -0.724 5.828 3.232 1.00 0.00 C ATOM 0 H ALA A 59 0.478 5.166 5.313 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.081 7.699 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.409 6.281 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.235 5.641 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.142 4.886 3.587 1.00 0.00 H new ATOM 801 N GLY A 60 -2.055 6.651 6.288 1.00 0.00 N ATOM 802 CA GLY A 60 -3.239 7.020 7.043 1.00 0.00 C ATOM 803 C GLY A 60 -4.379 6.042 6.849 1.00 0.00 C ATOM 804 O GLY A 60 -5.518 6.322 7.225 1.00 0.00 O ATOM 0 H GLY A 60 -1.410 6.032 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.988 7.075 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.563 8.016 6.740 1.00 0.00 H new ATOM 808 N TYR A 61 -4.075 4.890 6.261 1.00 0.00 N ATOM 809 CA TYR A 61 -5.091 3.883 5.983 1.00 0.00 C ATOM 810 C TYR A 61 -4.745 2.559 6.657 1.00 0.00 C ATOM 811 O TYR A 61 -3.802 1.872 6.258 1.00 0.00 O ATOM 812 CB TYR A 61 -5.246 3.680 4.473 1.00 0.00 C ATOM 813 CG TYR A 61 -5.567 4.949 3.715 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.862 5.442 3.668 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.573 5.651 3.047 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.161 6.600 2.977 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.861 6.810 2.353 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.157 7.281 2.321 1.00 0.00 C ATOM 819 OH TYR A 61 -6.450 8.435 1.630 1.00 0.00 O ATOM 0 H TYR A 61 -3.133 4.631 5.968 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.038 4.239 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.324 3.255 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.036 2.951 4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.651 4.911 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.557 5.285 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.175 6.970 2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.076 7.344 1.838 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.253 8.295 1.085 1.00 0.00 H new ATOM 829 N THR A 62 -5.513 2.204 7.682 1.00 0.00 N ATOM 830 CA THR A 62 -5.232 1.013 8.474 1.00 0.00 C ATOM 831 C THR A 62 -6.510 0.238 8.773 1.00 0.00 C ATOM 832 O THR A 62 -7.515 0.796 9.212 1.00 0.00 O ATOM 833 CB THR A 62 -4.535 1.368 9.800 1.00 0.00 C ATOM 834 OG1 THR A 62 -3.285 2.016 9.529 1.00 0.00 O ATOM 835 CG2 THR A 62 -4.283 0.113 10.622 1.00 0.00 C ATOM 0 H THR A 62 -6.336 2.725 7.984 1.00 0.00 H new ATOM 0 HA THR A 62 -4.564 0.390 7.880 1.00 0.00 H new ATOM 0 HB THR A 62 -5.183 2.037 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.100 1.981 8.567 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.790 0.383 11.556 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.233 -0.375 10.841 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.646 -0.569 10.059 1.00 0.00 H new ATOM 843 N PRO A 63 -6.472 -1.081 8.533 1.00 0.00 N ATOM 844 CA PRO A 63 -7.619 -1.963 8.769 1.00 0.00 C ATOM 845 C PRO A 63 -7.961 -2.083 10.251 1.00 0.00 C ATOM 846 O PRO A 63 -7.103 -1.893 11.111 1.00 0.00 O ATOM 847 CB PRO A 63 -7.184 -3.305 8.175 1.00 0.00 C ATOM 848 CG PRO A 63 -5.694 -3.260 8.210 1.00 0.00 C ATOM 849 CD PRO A 63 -5.331 -1.825 7.937 1.00 0.00 C ATOM 0 HA PRO A 63 -8.531 -1.580 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.570 -4.141 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.554 -3.428 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.314 -3.584 9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.263 -3.924 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.383 -1.552 8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.232 -1.628 6.869 1.00 0.00 H new ATOM 857 N GLU A 64 -9.218 -2.402 10.540 1.00 0.00 N ATOM 858 CA GLU A 64 -9.677 -2.525 11.919 1.00 0.00 C ATOM 859 C GLU A 64 -9.951 -3.984 12.273 1.00 0.00 C ATOM 860 O GLU A 64 -11.053 -4.334 12.693 1.00 0.00 O ATOM 861 CB GLU A 64 -10.934 -1.681 12.144 1.00 0.00 C ATOM 862 CG GLU A 64 -10.717 -0.181 12.013 1.00 0.00 C ATOM 863 CD GLU A 64 -11.984 0.580 12.283 1.00 0.00 C ATOM 864 OE1 GLU A 64 -12.981 -0.041 12.561 1.00 0.00 O ATOM 865 OE2 GLU A 64 -11.931 1.787 12.323 1.00 0.00 O ATOM 866 OXT GLU A 64 -9.086 -4.805 12.143 1.00 0.00 O ATOM 0 H GLU A 64 -9.937 -2.580 9.838 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.886 -2.156 12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.696 -1.989 11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.326 -1.893 13.139 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.943 0.139 12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.358 0.050 11.010 1.00 0.00 H new TER 873 GLU A 64