USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 21 SER OG : rot -150:sc= -1.05 USER MOD Set 1.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 178:sc= -3.68! (180deg=-3.85!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.00304) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -144:sc= -0.141 (180deg=-1.51) USER MOD Single : A 7 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.26) USER MOD Single : A 10 THR OG1 : rot -56:sc= 0.912 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -102:sc= -0.0232 (180deg=-0.297) USER MOD Single : A 30 SER OG : rot -26:sc= -3.09! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -124:sc= 0.421 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 66 ASN : amide:sc= -11.5! C(o=-11!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.222 11.319 -2.348 1.00 0.00 N ATOM 2 CA MET A 1 12.366 10.304 -1.665 1.00 0.00 C ATOM 3 C MET A 1 11.358 9.714 -2.656 1.00 0.00 C ATOM 4 O MET A 1 10.669 10.432 -3.354 1.00 0.00 O ATOM 5 CB MET A 1 11.639 11.068 -0.554 1.00 0.00 C ATOM 6 CG MET A 1 12.380 10.871 0.769 1.00 0.00 C ATOM 7 SD MET A 1 12.002 12.248 1.882 1.00 0.00 S ATOM 8 CE MET A 1 10.801 11.377 2.920 1.00 0.00 C ATOM 0 H1 MET A 1 13.880 11.738 -1.660 1.00 0.00 H new ATOM 0 H2 MET A 1 13.763 10.861 -3.110 1.00 0.00 H new ATOM 0 H3 MET A 1 12.621 12.066 -2.751 1.00 0.00 H new ATOM 0 HA MET A 1 12.951 9.474 -1.268 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.588 12.129 -0.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.613 10.712 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.084 9.927 1.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.454 10.816 0.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.456 12.041 3.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.952 11.066 2.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.271 10.499 3.362 1.00 0.00 H new ATOM 20 N LYS A 2 11.268 8.415 -2.724 1.00 0.00 N ATOM 21 CA LYS A 2 10.305 7.782 -3.673 1.00 0.00 C ATOM 22 C LYS A 2 9.510 6.683 -2.964 1.00 0.00 C ATOM 23 O LYS A 2 9.736 6.387 -1.808 1.00 0.00 O ATOM 24 CB LYS A 2 11.173 7.188 -4.783 1.00 0.00 C ATOM 25 CG LYS A 2 11.706 8.314 -5.673 1.00 0.00 C ATOM 26 CD LYS A 2 13.131 7.979 -6.123 1.00 0.00 C ATOM 27 CE LYS A 2 14.131 8.832 -5.334 1.00 0.00 C ATOM 28 NZ LYS A 2 15.234 9.134 -6.291 1.00 0.00 N ATOM 0 H LYS A 2 11.818 7.763 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 2 9.580 8.496 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.002 6.629 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.590 6.485 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.060 8.442 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.698 9.258 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.335 6.920 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.240 8.167 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.665 9.748 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.503 8.295 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.955 9.715 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.665 8.245 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.853 9.653 -7.108 1.00 0.00 H new ATOM 42 N CYS A 3 8.578 6.076 -3.647 1.00 0.00 N ATOM 43 CA CYS A 3 7.769 4.999 -3.008 1.00 0.00 C ATOM 44 C CYS A 3 7.720 3.768 -3.914 1.00 0.00 C ATOM 45 O CYS A 3 7.171 3.804 -4.997 1.00 0.00 O ATOM 46 CB CYS A 3 6.374 5.600 -2.843 1.00 0.00 C ATOM 47 SG CYS A 3 5.378 4.545 -1.758 1.00 0.00 S ATOM 0 H CYS A 3 8.342 6.279 -4.618 1.00 0.00 H new ATOM 0 HA CYS A 3 8.189 4.675 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.447 6.603 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.892 5.696 -3.816 1.00 0.00 H new ATOM 52 N LYS A 4 8.288 2.678 -3.479 1.00 0.00 N ATOM 53 CA LYS A 4 8.273 1.445 -4.315 1.00 0.00 C ATOM 54 C LYS A 4 6.934 0.718 -4.156 1.00 0.00 C ATOM 55 O LYS A 4 6.459 0.505 -3.058 1.00 0.00 O ATOM 56 CB LYS A 4 9.418 0.587 -3.777 1.00 0.00 C ATOM 57 CG LYS A 4 9.042 0.037 -2.400 1.00 0.00 C ATOM 58 CD LYS A 4 8.321 -1.302 -2.564 1.00 0.00 C ATOM 59 CE LYS A 4 9.126 -2.403 -1.870 1.00 0.00 C ATOM 60 NZ LYS A 4 10.444 -2.408 -2.564 1.00 0.00 N ATOM 0 H LYS A 4 8.762 2.588 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 4 8.393 1.662 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.625 -0.234 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.329 1.181 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.937 -0.092 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.400 0.746 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.320 -1.243 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.202 -1.536 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.241 -2.198 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.630 -3.370 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.796 -3.384 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.335 -2.010 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.123 -1.833 -2.025 1.00 0.00 H new ATOM 74 N ILE A 5 6.320 0.339 -5.244 1.00 0.00 N ATOM 75 CA ILE A 5 5.011 -0.370 -5.152 1.00 0.00 C ATOM 76 C ILE A 5 5.122 -1.770 -5.761 1.00 0.00 C ATOM 77 O ILE A 5 5.813 -1.979 -6.739 1.00 0.00 O ATOM 78 CB ILE A 5 4.037 0.491 -5.957 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.234 1.964 -5.588 1.00 0.00 C ATOM 80 CG2 ILE A 5 2.601 0.074 -5.638 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.068 2.140 -4.078 1.00 0.00 C ATOM 0 H ILE A 5 6.667 0.489 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 5 4.683 -0.500 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 5 4.226 0.353 -7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.225 2.298 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.510 2.582 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.908 0.688 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.460 -0.974 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.410 0.210 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.208 3.189 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.068 1.823 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.809 1.534 -3.557 1.00 0.00 H new ATOM 93 N CYS A 6 4.446 -2.730 -5.189 1.00 0.00 N ATOM 94 CA CYS A 6 4.512 -4.118 -5.733 1.00 0.00 C ATOM 95 C CYS A 6 3.745 -5.078 -4.820 1.00 0.00 C ATOM 96 O CYS A 6 3.716 -4.916 -3.616 1.00 0.00 O ATOM 97 CB CYS A 6 5.999 -4.471 -5.745 1.00 0.00 C ATOM 98 SG CYS A 6 6.438 -5.192 -7.346 1.00 0.00 S ATOM 0 H CYS A 6 3.851 -2.614 -4.369 1.00 0.00 H new ATOM 0 HA CYS A 6 4.067 -4.193 -6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.597 -3.578 -5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.223 -5.175 -4.944 1.00 0.00 H new ATOM 103 N ASN A 7 3.125 -6.079 -5.381 1.00 0.00 N ATOM 104 CA ASN A 7 2.364 -7.048 -4.543 1.00 0.00 C ATOM 105 C ASN A 7 3.247 -7.569 -3.405 1.00 0.00 C ATOM 106 O ASN A 7 4.230 -8.246 -3.630 1.00 0.00 O ATOM 107 CB ASN A 7 1.987 -8.185 -5.493 1.00 0.00 C ATOM 108 CG ASN A 7 0.985 -7.672 -6.529 1.00 0.00 C ATOM 109 OD1 ASN A 7 1.360 -7.321 -7.631 1.00 0.00 O ATOM 110 ND2 ASN A 7 -0.281 -7.612 -6.221 1.00 0.00 N ATOM 0 H ASN A 7 3.112 -6.268 -6.383 1.00 0.00 H new ATOM 0 HA ASN A 7 1.486 -6.595 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.878 -8.568 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.555 -9.014 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.957 -7.271 -6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.595 -7.907 -5.296 1.00 0.00 H new ATOM 117 N PHE A 8 2.906 -7.255 -2.187 1.00 0.00 N ATOM 118 CA PHE A 8 3.728 -7.729 -1.037 1.00 0.00 C ATOM 119 C PHE A 8 3.787 -9.260 -1.021 1.00 0.00 C ATOM 120 O PHE A 8 2.933 -9.930 -1.568 1.00 0.00 O ATOM 121 CB PHE A 8 3.007 -7.208 0.206 1.00 0.00 C ATOM 122 CG PHE A 8 3.901 -6.231 0.933 1.00 0.00 C ATOM 123 CD1 PHE A 8 4.812 -6.695 1.889 1.00 0.00 C ATOM 124 CD2 PHE A 8 3.817 -4.863 0.650 1.00 0.00 C ATOM 125 CE1 PHE A 8 5.640 -5.791 2.563 1.00 0.00 C ATOM 126 CE2 PHE A 8 4.646 -3.958 1.324 1.00 0.00 C ATOM 127 CZ PHE A 8 5.557 -4.421 2.281 1.00 0.00 C ATOM 0 H PHE A 8 2.094 -6.691 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 8 4.757 -7.373 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.074 -6.722 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.746 -8.038 0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.876 -7.751 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.114 -4.506 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.343 -6.149 3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.583 -2.902 1.106 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.195 -3.723 2.802 1.00 0.00 H new ATOM 137 N ASP A 9 4.791 -9.816 -0.394 1.00 0.00 N ATOM 138 CA ASP A 9 4.916 -11.305 -0.335 1.00 0.00 C ATOM 139 C ASP A 9 5.311 -11.867 -1.705 1.00 0.00 C ATOM 140 O ASP A 9 5.456 -13.061 -1.874 1.00 0.00 O ATOM 141 CB ASP A 9 3.531 -11.813 0.074 1.00 0.00 C ATOM 142 CG ASP A 9 3.669 -12.796 1.238 1.00 0.00 C ATOM 143 OD1 ASP A 9 4.648 -13.523 1.261 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.791 -12.805 2.086 1.00 0.00 O ATOM 0 H ASP A 9 5.533 -9.302 0.082 1.00 0.00 H new ATOM 0 HA ASP A 9 5.687 -11.619 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.897 -10.976 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.047 -12.301 -0.772 1.00 0.00 H new ATOM 149 N THR A 10 5.488 -11.019 -2.683 1.00 0.00 N ATOM 150 CA THR A 10 5.875 -11.514 -4.038 1.00 0.00 C ATOM 151 C THR A 10 6.016 -10.341 -5.013 1.00 0.00 C ATOM 152 O THR A 10 5.455 -10.349 -6.091 1.00 0.00 O ATOM 153 CB THR A 10 4.729 -12.430 -4.472 1.00 0.00 C ATOM 154 OG1 THR A 10 4.979 -12.903 -5.787 1.00 0.00 O ATOM 155 CG2 THR A 10 3.412 -11.653 -4.449 1.00 0.00 C ATOM 0 H THR A 10 5.382 -10.008 -2.604 1.00 0.00 H new ATOM 0 HA THR A 10 6.832 -12.035 -4.024 1.00 0.00 H new ATOM 0 HB THR A 10 4.659 -13.275 -3.787 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.096 -12.141 -6.392 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.598 -12.308 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.222 -11.290 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.477 -10.807 -5.133 1.00 0.00 H new ATOM 163 N CYS A 11 6.762 -9.335 -4.646 1.00 0.00 N ATOM 164 CA CYS A 11 6.935 -8.167 -5.559 1.00 0.00 C ATOM 165 C CYS A 11 7.841 -7.116 -4.911 1.00 0.00 C ATOM 166 O CYS A 11 7.485 -6.494 -3.929 1.00 0.00 O ATOM 167 CB CYS A 11 5.526 -7.609 -5.761 1.00 0.00 C ATOM 168 SG CYS A 11 5.381 -6.913 -7.426 1.00 0.00 S ATOM 0 H CYS A 11 7.258 -9.270 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 11 7.401 -8.448 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.788 -8.399 -5.620 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.318 -6.841 -5.016 1.00 0.00 H new ATOM 173 N ARG A 12 9.009 -6.912 -5.455 1.00 0.00 N ATOM 174 CA ARG A 12 9.936 -5.900 -4.873 1.00 0.00 C ATOM 175 C ARG A 12 9.668 -4.529 -5.497 1.00 0.00 C ATOM 176 O ARG A 12 8.558 -4.217 -5.880 1.00 0.00 O ATOM 177 CB ARG A 12 11.337 -6.393 -5.236 1.00 0.00 C ATOM 178 CG ARG A 12 11.476 -7.867 -4.848 1.00 0.00 C ATOM 179 CD ARG A 12 12.875 -8.117 -4.281 1.00 0.00 C ATOM 180 NE ARG A 12 13.801 -7.421 -5.219 1.00 0.00 N ATOM 181 CZ ARG A 12 14.670 -8.109 -5.907 1.00 0.00 C ATOM 182 NH1 ARG A 12 14.345 -9.277 -6.389 1.00 0.00 N ATOM 183 NH2 ARG A 12 15.865 -7.628 -6.113 1.00 0.00 N ATOM 0 H ARG A 12 9.362 -7.402 -6.277 1.00 0.00 H new ATOM 0 HA ARG A 12 9.812 -5.791 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.512 -6.269 -6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.089 -5.797 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.720 -8.132 -4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.307 -8.501 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.967 -7.722 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.095 -9.183 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 12 13.755 -6.407 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.411 -9.653 -6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.025 -9.814 -6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.119 -6.715 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.545 -8.165 -6.651 1.00 0.00 H new ATOM 197 N ALA A 13 10.674 -3.706 -5.605 1.00 0.00 N ATOM 198 CA ALA A 13 10.469 -2.356 -6.207 1.00 0.00 C ATOM 199 C ALA A 13 10.108 -2.491 -7.689 1.00 0.00 C ATOM 200 O ALA A 13 10.855 -2.085 -8.559 1.00 0.00 O ATOM 201 CB ALA A 13 11.808 -1.638 -6.043 1.00 0.00 C ATOM 0 H ALA A 13 11.627 -3.908 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 13 9.656 -1.809 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.737 -0.635 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.058 -1.571 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.586 -2.195 -6.565 1.00 0.00 H new ATOM 207 N GLY A 14 8.971 -3.058 -7.984 1.00 0.00 N ATOM 208 CA GLY A 14 8.564 -3.218 -9.410 1.00 0.00 C ATOM 209 C GLY A 14 8.019 -1.890 -9.938 1.00 0.00 C ATOM 210 O GLY A 14 8.282 -1.503 -11.059 1.00 0.00 O ATOM 0 H GLY A 14 8.305 -3.418 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.417 -3.537 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.805 -3.995 -9.497 1.00 0.00 H new ATOM 214 N GLU A 15 7.261 -1.189 -9.142 1.00 0.00 N ATOM 215 CA GLU A 15 6.701 0.115 -9.602 1.00 0.00 C ATOM 216 C GLU A 15 6.955 1.197 -8.549 1.00 0.00 C ATOM 217 O GLU A 15 6.123 1.461 -7.705 1.00 0.00 O ATOM 218 CB GLU A 15 5.203 -0.134 -9.767 1.00 0.00 C ATOM 219 CG GLU A 15 4.905 -0.513 -11.218 1.00 0.00 C ATOM 220 CD GLU A 15 3.707 -1.465 -11.263 1.00 0.00 C ATOM 221 OE1 GLU A 15 3.265 -1.876 -10.203 1.00 0.00 O ATOM 222 OE2 GLU A 15 3.255 -1.765 -12.354 1.00 0.00 O ATOM 0 H GLU A 15 7.004 -1.461 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 15 7.160 0.460 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.881 -0.932 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.643 0.759 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.693 0.382 -11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.777 -0.988 -11.667 1.00 0.00 H new ATOM 229 N LEU A 16 8.100 1.821 -8.590 1.00 0.00 N ATOM 230 CA LEU A 16 8.405 2.881 -7.587 1.00 0.00 C ATOM 231 C LEU A 16 8.211 4.271 -8.200 1.00 0.00 C ATOM 232 O LEU A 16 8.558 4.514 -9.339 1.00 0.00 O ATOM 233 CB LEU A 16 9.870 2.661 -7.210 1.00 0.00 C ATOM 234 CG LEU A 16 10.371 3.858 -6.399 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.372 3.376 -5.347 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.055 4.855 -7.336 1.00 0.00 C ATOM 0 H LEU A 16 8.836 1.644 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 16 7.747 2.826 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.974 1.745 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.474 2.538 -8.109 1.00 0.00 H new ATOM 0 HG LEU A 16 9.529 4.342 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.730 4.228 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.885 2.664 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.215 2.893 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.413 5.709 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.898 4.371 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.342 5.197 -8.087 1.00 0.00 H new ATOM 248 N LYS A 17 7.661 5.185 -7.448 1.00 0.00 N ATOM 249 CA LYS A 17 7.446 6.561 -7.977 1.00 0.00 C ATOM 250 C LYS A 17 7.743 7.589 -6.882 1.00 0.00 C ATOM 251 O LYS A 17 8.678 7.443 -6.119 1.00 0.00 O ATOM 252 CB LYS A 17 5.970 6.607 -8.374 1.00 0.00 C ATOM 253 CG LYS A 17 5.771 7.644 -9.483 1.00 0.00 C ATOM 254 CD LYS A 17 5.507 6.929 -10.810 1.00 0.00 C ATOM 255 CE LYS A 17 5.836 7.870 -11.971 1.00 0.00 C ATOM 256 NZ LYS A 17 6.366 6.984 -13.044 1.00 0.00 N ATOM 0 H LYS A 17 7.351 5.037 -6.488 1.00 0.00 H new ATOM 0 HA LYS A 17 8.098 6.792 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.644 5.625 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.358 6.862 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.934 8.298 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.655 8.276 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.115 6.026 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.464 6.616 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.950 8.409 -12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.572 8.618 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.615 7.557 -13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.213 6.489 -12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.641 6.287 -13.308 1.00 0.00 H new ATOM 270 N VAL A 18 6.959 8.628 -6.798 1.00 0.00 N ATOM 271 CA VAL A 18 7.203 9.660 -5.754 1.00 0.00 C ATOM 272 C VAL A 18 5.904 9.985 -5.014 1.00 0.00 C ATOM 273 O VAL A 18 4.836 10.008 -5.593 1.00 0.00 O ATOM 274 CB VAL A 18 7.706 10.881 -6.522 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.163 10.662 -6.929 1.00 0.00 C ATOM 276 CG2 VAL A 18 6.852 11.087 -7.776 1.00 0.00 C ATOM 0 H VAL A 18 6.161 8.806 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 18 7.918 9.327 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 18 7.634 11.763 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.523 11.533 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.772 10.518 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.235 9.779 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.212 11.959 -8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.922 10.205 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.813 11.244 -7.487 1.00 0.00 H new ATOM 286 N CYS A 19 5.986 10.238 -3.736 1.00 0.00 N ATOM 287 CA CYS A 19 4.757 10.562 -2.956 1.00 0.00 C ATOM 288 C CYS A 19 5.132 10.975 -1.530 1.00 0.00 C ATOM 289 O CYS A 19 4.562 10.498 -0.568 1.00 0.00 O ATOM 290 CB CYS A 19 3.944 9.267 -2.945 1.00 0.00 C ATOM 291 SG CYS A 19 2.388 9.540 -2.060 1.00 0.00 S ATOM 0 H CYS A 19 6.852 10.234 -3.197 1.00 0.00 H new ATOM 0 HA CYS A 19 4.197 11.390 -3.389 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.742 8.943 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.513 8.471 -2.465 1.00 0.00 H new ATOM 296 N ALA A 20 6.085 11.854 -1.386 1.00 0.00 N ATOM 297 CA ALA A 20 6.494 12.294 -0.021 1.00 0.00 C ATOM 298 C ALA A 20 6.637 13.818 0.030 1.00 0.00 C ATOM 299 O ALA A 20 7.252 14.363 0.925 1.00 0.00 O ATOM 300 CB ALA A 20 7.847 11.624 0.221 1.00 0.00 C ATOM 0 H ALA A 20 6.598 12.287 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 20 5.758 12.020 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.218 11.899 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.732 10.542 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.557 11.953 -0.538 1.00 0.00 H new ATOM 306 N SER A 21 6.072 14.510 -0.921 1.00 0.00 N ATOM 307 CA SER A 21 6.179 15.997 -0.922 1.00 0.00 C ATOM 308 C SER A 21 5.735 16.559 0.432 1.00 0.00 C ATOM 309 O SER A 21 6.522 17.108 1.176 1.00 0.00 O ATOM 310 CB SER A 21 5.235 16.463 -2.030 1.00 0.00 C ATOM 311 OG SER A 21 5.277 15.531 -3.104 1.00 0.00 O ATOM 0 H SER A 21 5.542 14.111 -1.696 1.00 0.00 H new ATOM 0 HA SER A 21 7.201 16.337 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.218 16.548 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.527 17.453 -2.380 1.00 0.00 H new ATOM 0 HG SER A 21 5.098 15.996 -3.948 1.00 0.00 H new ATOM 317 N GLY A 22 4.478 16.426 0.755 1.00 0.00 N ATOM 318 CA GLY A 22 3.981 16.949 2.059 1.00 0.00 C ATOM 319 C GLY A 22 2.694 16.218 2.441 1.00 0.00 C ATOM 320 O GLY A 22 2.675 15.403 3.343 1.00 0.00 O ATOM 0 H GLY A 22 3.772 15.977 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.736 16.807 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.796 18.021 1.987 1.00 0.00 H new ATOM 324 N GLU A 23 1.618 16.498 1.761 1.00 0.00 N ATOM 325 CA GLU A 23 0.332 15.816 2.081 1.00 0.00 C ATOM 326 C GLU A 23 0.175 14.561 1.219 1.00 0.00 C ATOM 327 O GLU A 23 -0.859 14.331 0.622 1.00 0.00 O ATOM 328 CB GLU A 23 -0.754 16.838 1.742 1.00 0.00 C ATOM 329 CG GLU A 23 -1.089 17.664 2.986 1.00 0.00 C ATOM 330 CD GLU A 23 -0.187 18.898 3.037 1.00 0.00 C ATOM 331 OE1 GLU A 23 -0.017 19.528 2.006 1.00 0.00 O ATOM 332 OE2 GLU A 23 0.318 19.194 4.107 1.00 0.00 O ATOM 0 H GLU A 23 1.573 17.171 0.996 1.00 0.00 H new ATOM 0 HA GLU A 23 0.280 15.497 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.414 17.492 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.647 16.328 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.136 17.966 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.950 17.062 3.884 1.00 0.00 H new ATOM 339 N LYS A 24 1.195 13.749 1.143 1.00 0.00 N ATOM 340 CA LYS A 24 1.104 12.513 0.313 1.00 0.00 C ATOM 341 C LYS A 24 1.594 11.297 1.106 1.00 0.00 C ATOM 342 O LYS A 24 2.734 11.235 1.522 1.00 0.00 O ATOM 343 CB LYS A 24 2.019 12.775 -0.884 1.00 0.00 C ATOM 344 CG LYS A 24 1.178 13.216 -2.082 1.00 0.00 C ATOM 345 CD LYS A 24 1.633 14.602 -2.543 1.00 0.00 C ATOM 346 CE LYS A 24 2.538 14.463 -3.769 1.00 0.00 C ATOM 347 NZ LYS A 24 2.488 15.794 -4.436 1.00 0.00 N ATOM 0 H LYS A 24 2.086 13.888 1.619 1.00 0.00 H new ATOM 0 HA LYS A 24 0.080 12.297 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.749 13.545 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.579 11.873 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.281 12.498 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.123 13.240 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.767 15.218 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.168 15.107 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.557 14.204 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.184 13.675 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.085 15.778 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.507 16.011 -4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.837 16.523 -3.782 1.00 0.00 H new ATOM 361 N TYR A 25 0.741 10.332 1.316 1.00 0.00 N ATOM 362 CA TYR A 25 1.155 9.123 2.079 1.00 0.00 C ATOM 363 C TYR A 25 0.917 7.861 1.243 1.00 0.00 C ATOM 364 O TYR A 25 -0.147 7.666 0.688 1.00 0.00 O ATOM 365 CB TYR A 25 0.249 9.113 3.309 1.00 0.00 C ATOM 366 CG TYR A 25 0.540 10.321 4.167 1.00 0.00 C ATOM 367 CD1 TYR A 25 0.193 11.599 3.713 1.00 0.00 C ATOM 368 CD2 TYR A 25 1.154 10.163 5.415 1.00 0.00 C ATOM 369 CE1 TYR A 25 0.460 12.720 4.506 1.00 0.00 C ATOM 370 CE2 TYR A 25 1.421 11.285 6.209 1.00 0.00 C ATOM 371 CZ TYR A 25 1.074 12.563 5.755 1.00 0.00 C ATOM 372 OH TYR A 25 1.338 13.669 6.537 1.00 0.00 O ATOM 0 H TYR A 25 -0.226 10.330 0.991 1.00 0.00 H new ATOM 0 HA TYR A 25 2.213 9.141 2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.797 9.117 3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.409 8.200 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.281 11.720 2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.421 9.177 5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.193 13.706 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.895 11.164 7.172 1.00 0.00 H new ATOM 0 HH TYR A 25 1.765 13.385 7.372 1.00 0.00 H new ATOM 382 N CYS A 26 1.891 6.996 1.163 1.00 0.00 N ATOM 383 CA CYS A 26 1.705 5.740 0.380 1.00 0.00 C ATOM 384 C CYS A 26 0.861 4.761 1.198 1.00 0.00 C ATOM 385 O CYS A 26 1.269 4.304 2.248 1.00 0.00 O ATOM 386 CB CYS A 26 3.116 5.191 0.156 1.00 0.00 C ATOM 387 SG CYS A 26 3.644 5.559 -1.537 1.00 0.00 S ATOM 0 H CYS A 26 2.804 7.103 1.604 1.00 0.00 H new ATOM 0 HA CYS A 26 1.192 5.903 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.809 5.637 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.131 4.115 0.327 1.00 0.00 H new ATOM 392 N PHE A 27 -0.322 4.454 0.742 1.00 0.00 N ATOM 393 CA PHE A 27 -1.197 3.524 1.513 1.00 0.00 C ATOM 394 C PHE A 27 -1.139 2.107 0.942 1.00 0.00 C ATOM 395 O PHE A 27 -1.255 1.898 -0.250 1.00 0.00 O ATOM 396 CB PHE A 27 -2.605 4.099 1.366 1.00 0.00 C ATOM 397 CG PHE A 27 -3.037 4.005 -0.077 1.00 0.00 C ATOM 398 CD1 PHE A 27 -3.644 2.835 -0.550 1.00 0.00 C ATOM 399 CD2 PHE A 27 -2.828 5.085 -0.944 1.00 0.00 C ATOM 400 CE1 PHE A 27 -4.042 2.746 -1.889 1.00 0.00 C ATOM 401 CE2 PHE A 27 -3.228 4.996 -2.283 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.834 3.826 -2.755 1.00 0.00 C ATOM 0 H PHE A 27 -0.721 4.805 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.884 3.447 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.301 3.552 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.622 5.138 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.805 2.002 0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.358 5.987 -0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.510 1.844 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.069 5.830 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.141 3.756 -3.788 1.00 0.00 H new ATOM 412 N LYS A 28 -0.976 1.130 1.791 1.00 0.00 N ATOM 413 CA LYS A 28 -0.929 -0.280 1.316 1.00 0.00 C ATOM 414 C LYS A 28 -2.262 -0.965 1.623 1.00 0.00 C ATOM 415 O LYS A 28 -2.671 -1.056 2.763 1.00 0.00 O ATOM 416 CB LYS A 28 0.205 -0.934 2.107 1.00 0.00 C ATOM 417 CG LYS A 28 0.165 -2.449 1.897 1.00 0.00 C ATOM 418 CD LYS A 28 1.498 -3.062 2.332 1.00 0.00 C ATOM 419 CE LYS A 28 1.376 -3.587 3.765 1.00 0.00 C ATOM 420 NZ LYS A 28 0.617 -4.864 3.645 1.00 0.00 N ATOM 0 H LYS A 28 -0.873 1.249 2.799 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.762 -0.354 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.166 -0.536 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.105 -0.700 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.652 -2.885 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.026 -2.676 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.774 -3.873 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.290 -2.315 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.357 -3.752 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.852 -2.875 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.372 -4.707 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.650 -5.196 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.043 -5.581 4.267 1.00 0.00 H new ATOM 434 N GLU A 29 -2.948 -1.435 0.619 1.00 0.00 N ATOM 435 CA GLU A 29 -4.259 -2.101 0.863 1.00 0.00 C ATOM 436 C GLU A 29 -4.115 -3.621 0.776 1.00 0.00 C ATOM 437 O GLU A 29 -4.154 -4.198 -0.293 1.00 0.00 O ATOM 438 CB GLU A 29 -5.176 -1.585 -0.247 1.00 0.00 C ATOM 439 CG GLU A 29 -6.009 -0.416 0.282 1.00 0.00 C ATOM 440 CD GLU A 29 -7.082 -0.046 -0.745 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.083 -0.640 -1.810 1.00 0.00 O ATOM 442 OE2 GLU A 29 -7.884 0.824 -0.447 1.00 0.00 O ATOM 0 H GLU A 29 -2.659 -1.387 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.651 -1.881 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.583 -1.265 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.831 -2.385 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.475 -0.688 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.367 0.443 0.478 1.00 0.00 H new ATOM 449 N SER A 30 -3.953 -4.276 1.893 1.00 0.00 N ATOM 450 CA SER A 30 -3.815 -5.759 1.871 1.00 0.00 C ATOM 451 C SER A 30 -5.202 -6.410 1.815 1.00 0.00 C ATOM 452 O SER A 30 -5.907 -6.486 2.800 1.00 0.00 O ATOM 453 CB SER A 30 -3.094 -6.113 3.173 1.00 0.00 C ATOM 454 OG SER A 30 -3.999 -6.751 4.063 1.00 0.00 O ATOM 0 H SER A 30 -3.910 -3.849 2.818 1.00 0.00 H new ATOM 0 HA SER A 30 -3.263 -6.115 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.249 -6.770 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.691 -5.211 3.634 1.00 0.00 H new ATOM 0 HG SER A 30 -4.914 -6.467 3.858 1.00 0.00 H new ATOM 460 N TRP A 31 -5.602 -6.869 0.662 1.00 0.00 N ATOM 461 CA TRP A 31 -6.942 -7.506 0.538 1.00 0.00 C ATOM 462 C TRP A 31 -6.879 -8.966 0.989 1.00 0.00 C ATOM 463 O TRP A 31 -6.159 -9.770 0.427 1.00 0.00 O ATOM 464 CB TRP A 31 -7.289 -7.414 -0.948 1.00 0.00 C ATOM 465 CG TRP A 31 -8.516 -6.578 -1.119 1.00 0.00 C ATOM 466 CD1 TRP A 31 -9.766 -6.952 -0.761 1.00 0.00 C ATOM 467 CD2 TRP A 31 -8.636 -5.238 -1.682 1.00 0.00 C ATOM 468 NE1 TRP A 31 -10.644 -5.929 -1.068 1.00 0.00 N ATOM 469 CE2 TRP A 31 -9.997 -4.851 -1.637 1.00 0.00 C ATOM 470 CE3 TRP A 31 -7.706 -4.331 -2.221 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -10.420 -3.609 -2.110 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -8.129 -3.079 -2.699 1.00 0.00 C ATOM 473 CH2 TRP A 31 -9.483 -2.719 -2.643 1.00 0.00 C ATOM 0 H TRP A 31 -5.058 -6.830 -0.200 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.691 -7.017 1.161 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.457 -6.977 -1.501 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.455 -8.411 -1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.034 -7.896 -0.309 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -11.648 -5.967 -0.895 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -6.661 -4.598 -2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -11.464 -3.337 -2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.407 -2.390 -3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.802 -1.755 -3.011 1.00 0.00 H new ATOM 484 N ARG A 32 -7.628 -9.316 1.999 1.00 0.00 N ATOM 485 CA ARG A 32 -7.613 -10.723 2.490 1.00 0.00 C ATOM 486 C ARG A 32 -8.825 -11.485 1.949 1.00 0.00 C ATOM 487 O ARG A 32 -9.892 -10.930 1.776 1.00 0.00 O ATOM 488 CB ARG A 32 -7.687 -10.611 4.013 1.00 0.00 C ATOM 489 CG ARG A 32 -7.080 -11.864 4.648 1.00 0.00 C ATOM 490 CD ARG A 32 -6.576 -11.530 6.054 1.00 0.00 C ATOM 491 NE ARG A 32 -5.139 -11.178 5.875 1.00 0.00 N ATOM 492 CZ ARG A 32 -4.462 -10.680 6.874 1.00 0.00 C ATOM 493 NH1 ARG A 32 -4.780 -10.997 8.100 1.00 0.00 N ATOM 494 NH2 ARG A 32 -3.467 -9.868 6.647 1.00 0.00 N ATOM 0 H ARG A 32 -8.251 -8.687 2.506 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.726 -11.265 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.150 -9.724 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.724 -10.496 4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.825 -12.658 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.259 -12.235 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.135 -10.700 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.693 -12.379 6.727 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.685 -11.326 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.557 -11.634 8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.251 -10.608 8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.218 -9.622 5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.938 -9.479 7.427 1.00 0.00 H new ATOM 508 N GLU A 33 -8.669 -12.753 1.682 1.00 0.00 N ATOM 509 CA GLU A 33 -9.814 -13.549 1.154 1.00 0.00 C ATOM 510 C GLU A 33 -9.739 -14.987 1.674 1.00 0.00 C ATOM 511 O GLU A 33 -8.770 -15.385 2.289 1.00 0.00 O ATOM 512 CB GLU A 33 -9.652 -13.518 -0.366 1.00 0.00 C ATOM 513 CG GLU A 33 -11.028 -13.629 -1.027 1.00 0.00 C ATOM 514 CD GLU A 33 -10.904 -13.328 -2.522 1.00 0.00 C ATOM 515 OE1 GLU A 33 -9.830 -12.927 -2.939 1.00 0.00 O ATOM 516 OE2 GLU A 33 -11.885 -13.504 -3.225 1.00 0.00 O ATOM 0 H GLU A 33 -7.800 -13.272 1.806 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.777 -13.147 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.163 -12.593 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.013 -14.339 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.434 -14.630 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.724 -12.931 -0.562 1.00 0.00 H new ATOM 523 N ALA A 34 -10.756 -15.769 1.432 1.00 0.00 N ATOM 524 CA ALA A 34 -10.742 -17.181 1.914 1.00 0.00 C ATOM 525 C ALA A 34 -10.028 -18.078 0.899 1.00 0.00 C ATOM 526 O ALA A 34 -9.761 -19.234 1.160 1.00 0.00 O ATOM 527 CB ALA A 34 -12.215 -17.573 2.035 1.00 0.00 C ATOM 0 H ALA A 34 -11.595 -15.492 0.922 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.213 -17.290 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.290 -18.602 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.711 -16.911 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.696 -17.486 1.061 1.00 0.00 H new ATOM 533 N ARG A 35 -9.720 -17.556 -0.256 1.00 0.00 N ATOM 534 CA ARG A 35 -9.024 -18.381 -1.286 1.00 0.00 C ATOM 535 C ARG A 35 -7.596 -17.873 -1.498 1.00 0.00 C ATOM 536 O ARG A 35 -6.740 -18.586 -1.981 1.00 0.00 O ATOM 537 CB ARG A 35 -9.851 -18.204 -2.559 1.00 0.00 C ATOM 538 CG ARG A 35 -9.449 -19.271 -3.580 1.00 0.00 C ATOM 539 CD ARG A 35 -10.315 -20.518 -3.383 1.00 0.00 C ATOM 540 NE ARG A 35 -9.347 -21.645 -3.274 1.00 0.00 N ATOM 541 CZ ARG A 35 -9.778 -22.854 -3.045 1.00 0.00 C ATOM 542 NH1 ARG A 35 -10.095 -23.633 -4.042 1.00 0.00 N ATOM 543 NH2 ARG A 35 -9.891 -23.285 -1.819 1.00 0.00 N ATOM 0 H ARG A 35 -9.920 -16.595 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.946 -19.428 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.913 -18.286 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.691 -17.209 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.572 -18.886 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.396 -19.524 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.928 -20.435 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.996 -20.662 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.347 -21.471 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.006 -23.296 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.432 -24.579 -3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.642 -22.676 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.228 -24.231 -1.640 1.00 0.00 H new ATOM 557 N GLY A 36 -7.331 -16.646 -1.140 1.00 0.00 N ATOM 558 CA GLY A 36 -5.957 -16.099 -1.323 1.00 0.00 C ATOM 559 C GLY A 36 -5.892 -14.672 -0.775 1.00 0.00 C ATOM 560 O GLY A 36 -6.845 -14.167 -0.215 1.00 0.00 O ATOM 0 H GLY A 36 -8.005 -16.000 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.233 -16.730 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.691 -16.105 -2.380 1.00 0.00 H new ATOM 564 N THR A 37 -4.775 -14.018 -0.934 1.00 0.00 N ATOM 565 CA THR A 37 -4.648 -12.622 -0.424 1.00 0.00 C ATOM 566 C THR A 37 -3.784 -11.791 -1.378 1.00 0.00 C ATOM 567 O THR A 37 -2.823 -12.276 -1.941 1.00 0.00 O ATOM 568 CB THR A 37 -3.965 -12.758 0.938 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.876 -13.328 1.867 1.00 0.00 O ATOM 570 CG2 THR A 37 -3.526 -11.379 1.430 1.00 0.00 C ATOM 0 H THR A 37 -3.944 -14.389 -1.395 1.00 0.00 H new ATOM 0 HA THR A 37 -5.612 -12.119 -0.347 1.00 0.00 H new ATOM 0 HB THR A 37 -3.091 -13.402 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.440 -13.418 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.039 -11.477 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.827 -10.943 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.398 -10.732 1.525 1.00 0.00 H new ATOM 578 N ARG A 38 -4.118 -10.543 -1.562 1.00 0.00 N ATOM 579 CA ARG A 38 -3.313 -9.684 -2.480 1.00 0.00 C ATOM 580 C ARG A 38 -3.199 -8.267 -1.913 1.00 0.00 C ATOM 581 O ARG A 38 -4.162 -7.698 -1.442 1.00 0.00 O ATOM 582 CB ARG A 38 -4.090 -9.676 -3.796 1.00 0.00 C ATOM 583 CG ARG A 38 -3.746 -10.932 -4.600 1.00 0.00 C ATOM 584 CD ARG A 38 -3.021 -10.532 -5.887 1.00 0.00 C ATOM 585 NE ARG A 38 -2.454 -11.803 -6.419 1.00 0.00 N ATOM 586 CZ ARG A 38 -1.267 -12.195 -6.044 1.00 0.00 C ATOM 587 NH1 ARG A 38 -0.254 -11.377 -6.125 1.00 0.00 N ATOM 588 NH2 ARG A 38 -1.093 -13.405 -5.589 1.00 0.00 N ATOM 0 H ARG A 38 -4.911 -10.081 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.297 -10.056 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.161 -9.640 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.842 -8.784 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.117 -11.595 -4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.655 -11.484 -4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.707 -10.076 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.236 -9.802 -5.688 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.993 -12.367 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.390 -10.431 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.674 -11.683 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.885 -14.045 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.165 -13.711 -5.296 1.00 0.00 H new ATOM 602 N ILE A 39 -2.027 -7.696 -1.952 1.00 0.00 N ATOM 603 CA ILE A 39 -1.851 -6.317 -1.409 1.00 0.00 C ATOM 604 C ILE A 39 -1.736 -5.301 -2.550 1.00 0.00 C ATOM 605 O ILE A 39 -1.142 -5.567 -3.576 1.00 0.00 O ATOM 606 CB ILE A 39 -0.550 -6.370 -0.609 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.782 -7.147 0.689 1.00 0.00 C ATOM 608 CG2 ILE A 39 -0.096 -4.949 -0.277 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.243 -8.278 0.797 1.00 0.00 C ATOM 0 H ILE A 39 -1.184 -8.123 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.698 -6.008 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 39 0.219 -6.868 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.694 -6.479 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.793 -7.555 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.832 -4.987 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.069 -4.395 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.865 -4.450 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.078 -8.832 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.133 -8.951 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.249 -7.858 0.800 1.00 0.00 H new ATOM 621 N GLU A 40 -2.301 -4.137 -2.374 1.00 0.00 N ATOM 622 CA GLU A 40 -2.223 -3.097 -3.439 1.00 0.00 C ATOM 623 C GLU A 40 -1.847 -1.747 -2.824 1.00 0.00 C ATOM 624 O GLU A 40 -2.616 -1.149 -2.097 1.00 0.00 O ATOM 625 CB GLU A 40 -3.627 -3.038 -4.044 1.00 0.00 C ATOM 626 CG GLU A 40 -3.561 -3.411 -5.526 1.00 0.00 C ATOM 627 CD GLU A 40 -2.787 -2.334 -6.290 1.00 0.00 C ATOM 628 OE1 GLU A 40 -3.076 -1.167 -6.086 1.00 0.00 O ATOM 629 OE2 GLU A 40 -1.919 -2.695 -7.068 1.00 0.00 O ATOM 0 H GLU A 40 -2.814 -3.861 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.468 -3.329 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.291 -3.722 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.042 -2.037 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.074 -4.379 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.568 -3.508 -5.933 1.00 0.00 H new ATOM 636 N ARG A 41 -0.667 -1.264 -3.100 1.00 0.00 N ATOM 637 CA ARG A 41 -0.243 0.043 -2.521 1.00 0.00 C ATOM 638 C ARG A 41 -0.650 1.195 -3.443 1.00 0.00 C ATOM 639 O ARG A 41 -1.302 1.001 -4.448 1.00 0.00 O ATOM 640 CB ARG A 41 1.279 -0.048 -2.413 1.00 0.00 C ATOM 641 CG ARG A 41 1.684 -0.074 -0.938 1.00 0.00 C ATOM 642 CD ARG A 41 3.195 -0.281 -0.828 1.00 0.00 C ATOM 643 NE ARG A 41 3.689 0.908 -0.080 1.00 0.00 N ATOM 644 CZ ARG A 41 4.949 0.993 0.252 1.00 0.00 C ATOM 645 NH1 ARG A 41 5.813 1.493 -0.587 1.00 0.00 N ATOM 646 NH2 ARG A 41 5.343 0.577 1.424 1.00 0.00 N ATOM 0 H ARG A 41 0.022 -1.717 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.711 0.236 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.637 -0.947 -2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.741 0.803 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.398 0.860 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.158 -0.875 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.430 -1.206 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.658 -0.349 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 41 3.043 1.656 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.505 1.818 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.797 1.559 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.667 0.186 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.327 0.643 1.684 1.00 0.00 H new ATOM 660 N GLY A 42 -0.268 2.396 -3.102 1.00 0.00 N ATOM 661 CA GLY A 42 -0.629 3.566 -3.950 1.00 0.00 C ATOM 662 C GLY A 42 -0.295 4.858 -3.203 1.00 0.00 C ATOM 663 O GLY A 42 0.135 4.835 -2.066 1.00 0.00 O ATOM 0 H GLY A 42 0.280 2.617 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.084 3.527 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.691 3.538 -4.194 1.00 0.00 H new ATOM 667 N CYS A 43 -0.490 5.986 -3.828 1.00 0.00 N ATOM 668 CA CYS A 43 -0.182 7.278 -3.149 1.00 0.00 C ATOM 669 C CYS A 43 -1.466 8.085 -2.944 1.00 0.00 C ATOM 670 O CYS A 43 -2.156 8.421 -3.886 1.00 0.00 O ATOM 671 CB CYS A 43 0.764 8.010 -4.102 1.00 0.00 C ATOM 672 SG CYS A 43 1.008 9.708 -3.524 1.00 0.00 S ATOM 0 H CYS A 43 -0.849 6.070 -4.779 1.00 0.00 H new ATOM 0 HA CYS A 43 0.263 7.132 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.721 7.490 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.350 8.014 -5.110 1.00 0.00 H new ATOM 677 N ALA A 44 -1.795 8.399 -1.720 1.00 0.00 N ATOM 678 CA ALA A 44 -3.037 9.183 -1.465 1.00 0.00 C ATOM 679 C ALA A 44 -2.972 9.852 -0.089 1.00 0.00 C ATOM 680 O ALA A 44 -2.014 9.697 0.643 1.00 0.00 O ATOM 681 CB ALA A 44 -4.167 8.154 -1.509 1.00 0.00 C ATOM 0 H ALA A 44 -1.260 8.148 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.180 9.980 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.120 8.652 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.186 7.676 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.002 7.399 -0.740 1.00 0.00 H new ATOM 687 N ALA A 45 -3.984 10.594 0.266 1.00 0.00 N ATOM 688 CA ALA A 45 -3.981 11.274 1.593 1.00 0.00 C ATOM 689 C ALA A 45 -5.328 11.074 2.292 1.00 0.00 C ATOM 690 O ALA A 45 -5.563 11.590 3.367 1.00 0.00 O ATOM 691 CB ALA A 45 -3.752 12.753 1.282 1.00 0.00 C ATOM 0 H ALA A 45 -4.813 10.759 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.215 10.876 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.737 13.322 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.799 12.873 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.557 13.120 0.645 1.00 0.00 H new ATOM 697 N THR A 46 -6.214 10.326 1.693 1.00 0.00 N ATOM 698 CA THR A 46 -7.544 10.093 2.329 1.00 0.00 C ATOM 699 C THR A 46 -7.427 9.013 3.406 1.00 0.00 C ATOM 700 O THR A 46 -8.059 9.080 4.442 1.00 0.00 O ATOM 701 CB THR A 46 -8.452 9.622 1.193 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.349 10.526 0.100 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.900 9.572 1.682 1.00 0.00 C ATOM 0 H THR A 46 -6.076 9.867 0.793 1.00 0.00 H new ATOM 0 HA THR A 46 -7.934 10.988 2.814 1.00 0.00 H new ATOM 0 HB THR A 46 -8.146 8.627 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.929 10.224 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.546 9.236 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.978 8.878 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.210 10.566 2.005 1.00 0.00 H new ATOM 711 N CYS A 47 -6.615 8.018 3.170 1.00 0.00 N ATOM 712 CA CYS A 47 -6.446 6.935 4.178 1.00 0.00 C ATOM 713 C CYS A 47 -7.808 6.496 4.727 1.00 0.00 C ATOM 714 O CYS A 47 -8.170 6.836 5.835 1.00 0.00 O ATOM 715 CB CYS A 47 -5.600 7.564 5.281 1.00 0.00 C ATOM 716 SG CYS A 47 -4.651 6.276 6.126 1.00 0.00 S ATOM 0 H CYS A 47 -6.061 7.909 2.321 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.979 6.045 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.926 8.308 4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.241 8.084 5.993 1.00 0.00 H new ATOM 721 N PRO A 48 -8.518 5.748 3.925 1.00 0.00 N ATOM 722 CA PRO A 48 -9.854 5.251 4.332 1.00 0.00 C ATOM 723 C PRO A 48 -9.714 4.115 5.351 1.00 0.00 C ATOM 724 O PRO A 48 -8.637 3.843 5.845 1.00 0.00 O ATOM 725 CB PRO A 48 -10.456 4.738 3.028 1.00 0.00 C ATOM 726 CG PRO A 48 -9.284 4.405 2.159 1.00 0.00 C ATOM 727 CD PRO A 48 -8.146 5.303 2.578 1.00 0.00 C ATOM 0 HA PRO A 48 -10.469 6.014 4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.080 3.861 3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.089 5.493 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.008 3.357 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.529 4.559 1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.197 4.767 2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.032 6.146 1.897 1.00 0.00 H new ATOM 735 N LYS A 49 -10.791 3.450 5.669 1.00 0.00 N ATOM 736 CA LYS A 49 -10.713 2.334 6.655 1.00 0.00 C ATOM 737 C LYS A 49 -11.083 1.007 5.986 1.00 0.00 C ATOM 738 O LYS A 49 -11.202 0.921 4.780 1.00 0.00 O ATOM 739 CB LYS A 49 -11.730 2.690 7.740 1.00 0.00 C ATOM 740 CG LYS A 49 -13.127 2.783 7.121 1.00 0.00 C ATOM 741 CD LYS A 49 -14.003 1.653 7.664 1.00 0.00 C ATOM 742 CE LYS A 49 -15.363 2.216 8.084 1.00 0.00 C ATOM 743 NZ LYS A 49 -16.001 1.130 8.877 1.00 0.00 N ATOM 0 H LYS A 49 -11.720 3.631 5.290 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.709 2.214 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.719 1.935 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.463 3.639 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.576 3.749 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.060 2.716 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.135 0.884 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.516 1.178 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.248 3.123 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.967 2.478 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.939 1.442 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.103 0.282 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.407 0.907 9.701 1.00 0.00 H new ATOM 757 N GLY A 50 -11.267 -0.028 6.760 1.00 0.00 N ATOM 758 CA GLY A 50 -11.628 -1.348 6.168 1.00 0.00 C ATOM 759 C GLY A 50 -12.061 -2.306 7.279 1.00 0.00 C ATOM 760 O GLY A 50 -12.468 -1.890 8.346 1.00 0.00 O ATOM 0 H GLY A 50 -11.183 -0.017 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.434 -1.226 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.776 -1.762 5.629 1.00 0.00 H new ATOM 764 N SER A 51 -11.978 -3.587 7.040 1.00 0.00 N ATOM 765 CA SER A 51 -12.387 -4.568 8.086 1.00 0.00 C ATOM 766 C SER A 51 -11.356 -5.695 8.185 1.00 0.00 C ATOM 767 O SER A 51 -10.512 -5.856 7.325 1.00 0.00 O ATOM 768 CB SER A 51 -13.735 -5.115 7.616 1.00 0.00 C ATOM 769 OG SER A 51 -14.247 -4.285 6.581 1.00 0.00 O ATOM 0 H SER A 51 -11.645 -3.996 6.167 1.00 0.00 H new ATOM 0 HA SER A 51 -12.456 -4.112 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.619 -6.137 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.436 -5.150 8.450 1.00 0.00 H new ATOM 0 HG SER A 51 -15.110 -4.636 6.278 1.00 0.00 H new ATOM 775 N VAL A 52 -11.419 -6.480 9.226 1.00 0.00 N ATOM 776 CA VAL A 52 -10.442 -7.597 9.376 1.00 0.00 C ATOM 777 C VAL A 52 -10.366 -8.410 8.080 1.00 0.00 C ATOM 778 O VAL A 52 -9.360 -9.018 7.776 1.00 0.00 O ATOM 779 CB VAL A 52 -10.995 -8.455 10.513 1.00 0.00 C ATOM 780 CG1 VAL A 52 -10.824 -7.716 11.843 1.00 0.00 C ATOM 781 CG2 VAL A 52 -12.482 -8.726 10.269 1.00 0.00 C ATOM 0 H VAL A 52 -12.103 -6.397 9.978 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.434 -7.239 9.587 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.453 -9.400 10.551 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.219 -8.329 12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.766 -7.521 12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.365 -6.771 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.878 -9.338 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.023 -7.780 10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.605 -9.253 9.323 1.00 0.00 H new ATOM 791 N TYR A 53 -11.424 -8.424 7.317 1.00 0.00 N ATOM 792 CA TYR A 53 -11.414 -9.198 6.042 1.00 0.00 C ATOM 793 C TYR A 53 -11.912 -8.325 4.888 1.00 0.00 C ATOM 794 O TYR A 53 -12.471 -8.813 3.924 1.00 0.00 O ATOM 795 CB TYR A 53 -12.373 -10.365 6.282 1.00 0.00 C ATOM 796 CG TYR A 53 -13.643 -9.851 6.918 1.00 0.00 C ATOM 797 CD1 TYR A 53 -14.491 -9.001 6.197 1.00 0.00 C ATOM 798 CD2 TYR A 53 -13.971 -10.221 8.227 1.00 0.00 C ATOM 799 CE1 TYR A 53 -15.667 -8.522 6.786 1.00 0.00 C ATOM 800 CE2 TYR A 53 -15.147 -9.742 8.816 1.00 0.00 C ATOM 801 CZ TYR A 53 -15.995 -8.891 8.095 1.00 0.00 C ATOM 802 OH TYR A 53 -17.153 -8.419 8.676 1.00 0.00 O ATOM 0 H TYR A 53 -12.295 -7.934 7.520 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.414 -9.538 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -12.601 -10.862 5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.905 -11.107 6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -14.238 -8.715 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -13.317 -10.876 8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -16.321 -7.867 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.401 -10.028 9.826 1.00 0.00 H new ATOM 0 HH TYR A 53 -17.230 -8.772 9.587 1.00 0.00 H new ATOM 812 N GLY A 54 -11.713 -7.039 4.974 1.00 0.00 N ATOM 813 CA GLY A 54 -12.173 -6.137 3.880 1.00 0.00 C ATOM 814 C GLY A 54 -10.959 -5.608 3.118 1.00 0.00 C ATOM 815 O GLY A 54 -10.689 -6.009 2.004 1.00 0.00 O ATOM 0 H GLY A 54 -11.251 -6.573 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.835 -6.676 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.747 -5.308 4.294 1.00 0.00 H new ATOM 819 N LEU A 55 -10.223 -4.712 3.714 1.00 0.00 N ATOM 820 CA LEU A 55 -9.020 -4.158 3.028 1.00 0.00 C ATOM 821 C LEU A 55 -8.073 -3.533 4.053 1.00 0.00 C ATOM 822 O LEU A 55 -8.411 -2.580 4.725 1.00 0.00 O ATOM 823 CB LEU A 55 -9.561 -3.091 2.075 1.00 0.00 C ATOM 824 CG LEU A 55 -10.579 -2.218 2.810 1.00 0.00 C ATOM 825 CD1 LEU A 55 -10.565 -0.809 2.218 1.00 0.00 C ATOM 826 CD2 LEU A 55 -11.975 -2.824 2.652 1.00 0.00 C ATOM 0 H LEU A 55 -10.401 -4.339 4.646 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.455 -4.925 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.743 -2.476 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.028 -3.563 1.211 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.320 -2.169 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.291 -0.187 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.570 -0.378 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.824 -0.856 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.702 -2.203 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.233 -2.872 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.985 -3.829 3.074 1.00 0.00 H new ATOM 838 N TYR A 56 -6.888 -4.064 4.179 1.00 0.00 N ATOM 839 CA TYR A 56 -5.922 -3.499 5.162 1.00 0.00 C ATOM 840 C TYR A 56 -5.256 -2.247 4.584 1.00 0.00 C ATOM 841 O TYR A 56 -4.284 -2.329 3.862 1.00 0.00 O ATOM 842 CB TYR A 56 -4.890 -4.604 5.382 1.00 0.00 C ATOM 843 CG TYR A 56 -4.319 -4.491 6.776 1.00 0.00 C ATOM 844 CD1 TYR A 56 -5.137 -4.727 7.887 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.974 -4.149 6.956 1.00 0.00 C ATOM 846 CE1 TYR A 56 -4.608 -4.622 9.179 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.446 -4.043 8.248 1.00 0.00 C ATOM 848 CZ TYR A 56 -3.263 -4.278 9.360 1.00 0.00 C ATOM 849 OH TYR A 56 -2.742 -4.174 10.633 1.00 0.00 O ATOM 0 H TYR A 56 -6.548 -4.863 3.645 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.404 -3.202 6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.353 -5.581 5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.092 -4.524 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.175 -4.990 7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.344 -3.967 6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.238 -4.806 10.037 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.408 -3.780 8.387 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.795 -3.929 10.580 1.00 0.00 H new ATOM 859 N VAL A 57 -5.777 -1.091 4.892 1.00 0.00 N ATOM 860 CA VAL A 57 -5.176 0.164 4.356 1.00 0.00 C ATOM 861 C VAL A 57 -4.114 0.700 5.321 1.00 0.00 C ATOM 862 O VAL A 57 -4.393 0.994 6.466 1.00 0.00 O ATOM 863 CB VAL A 57 -6.344 1.144 4.246 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.831 2.492 3.736 1.00 0.00 C ATOM 865 CG2 VAL A 57 -7.381 0.591 3.267 1.00 0.00 C ATOM 0 H VAL A 57 -6.592 -0.961 5.491 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.681 0.008 3.398 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.802 1.276 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.663 3.192 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.090 2.886 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.374 2.360 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.215 1.289 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.923 0.460 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.746 -0.371 3.628 1.00 0.00 H new ATOM 875 N LEU A 58 -2.898 0.831 4.864 1.00 0.00 N ATOM 876 CA LEU A 58 -1.819 1.350 5.754 1.00 0.00 C ATOM 877 C LEU A 58 -1.123 2.547 5.096 1.00 0.00 C ATOM 878 O LEU A 58 -0.303 2.390 4.214 1.00 0.00 O ATOM 879 CB LEU A 58 -0.844 0.182 5.913 1.00 0.00 C ATOM 880 CG LEU A 58 0.299 0.593 6.842 1.00 0.00 C ATOM 881 CD1 LEU A 58 -0.190 0.579 8.291 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.460 -0.392 6.688 1.00 0.00 C ATOM 0 H LEU A 58 -2.605 0.602 3.914 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.203 1.694 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.363 -0.686 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.449 -0.110 4.940 1.00 0.00 H new ATOM 0 HG LEU A 58 0.635 1.597 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.625 0.872 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.018 1.279 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.526 -0.424 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.275 -0.100 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.123 -1.395 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.810 -0.383 5.656 1.00 0.00 H new ATOM 894 N CYS A 59 -1.447 3.741 5.515 1.00 0.00 N ATOM 895 CA CYS A 59 -0.805 4.945 4.908 1.00 0.00 C ATOM 896 C CYS A 59 0.507 5.268 5.626 1.00 0.00 C ATOM 897 O CYS A 59 0.567 5.322 6.839 1.00 0.00 O ATOM 898 CB CYS A 59 -1.811 6.085 5.097 1.00 0.00 C ATOM 899 SG CYS A 59 -3.475 5.506 4.676 1.00 0.00 S ATOM 0 H CYS A 59 -2.127 3.935 6.250 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.564 4.788 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.788 6.436 6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.539 6.931 4.466 1.00 0.00 H new ATOM 904 N CYS A 60 1.559 5.483 4.886 1.00 0.00 N ATOM 905 CA CYS A 60 2.870 5.804 5.524 1.00 0.00 C ATOM 906 C CYS A 60 3.659 6.783 4.653 1.00 0.00 C ATOM 907 O CYS A 60 3.251 7.130 3.562 1.00 0.00 O ATOM 908 CB CYS A 60 3.634 4.473 5.659 1.00 0.00 C ATOM 909 SG CYS A 60 3.147 3.302 4.359 1.00 0.00 S ATOM 0 H CYS A 60 1.569 5.451 3.867 1.00 0.00 H new ATOM 0 HA CYS A 60 2.727 6.274 6.497 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.707 4.659 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.438 4.036 6.638 1.00 0.00 H new ATOM 914 N THR A 61 4.786 7.232 5.131 1.00 0.00 N ATOM 915 CA THR A 61 5.606 8.185 4.346 1.00 0.00 C ATOM 916 C THR A 61 7.075 8.074 4.765 1.00 0.00 C ATOM 917 O THR A 61 7.420 7.316 5.650 1.00 0.00 O ATOM 918 CB THR A 61 5.044 9.561 4.696 1.00 0.00 C ATOM 919 OG1 THR A 61 4.444 9.510 5.984 1.00 0.00 O ATOM 920 CG2 THR A 61 3.996 9.964 3.658 1.00 0.00 C ATOM 0 H THR A 61 5.174 6.975 6.039 1.00 0.00 H new ATOM 0 HA THR A 61 5.567 7.992 3.274 1.00 0.00 H new ATOM 0 HB THR A 61 5.850 10.295 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.510 9.800 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.595 10.946 3.908 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.457 10.001 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.188 9.233 3.654 1.00 0.00 H new ATOM 928 N THR A 62 7.945 8.818 4.137 1.00 0.00 N ATOM 929 CA THR A 62 9.390 8.743 4.507 1.00 0.00 C ATOM 930 C THR A 62 9.899 7.307 4.350 1.00 0.00 C ATOM 931 O THR A 62 9.505 6.416 5.076 1.00 0.00 O ATOM 932 CB THR A 62 9.448 9.178 5.972 1.00 0.00 C ATOM 933 OG1 THR A 62 8.351 10.037 6.252 1.00 0.00 O ATOM 934 CG2 THR A 62 10.759 9.919 6.236 1.00 0.00 C ATOM 0 H THR A 62 7.720 9.472 3.387 1.00 0.00 H new ATOM 0 HA THR A 62 10.014 9.373 3.872 1.00 0.00 H new ATOM 0 HB THR A 62 9.396 8.299 6.615 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.385 10.316 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.798 10.228 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.600 9.259 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.815 10.799 5.595 1.00 0.00 H new ATOM 942 N ASP A 63 10.769 7.074 3.404 1.00 0.00 N ATOM 943 CA ASP A 63 11.297 5.694 3.201 1.00 0.00 C ATOM 944 C ASP A 63 10.159 4.746 2.813 1.00 0.00 C ATOM 945 O ASP A 63 9.127 4.706 3.454 1.00 0.00 O ATOM 946 CB ASP A 63 11.895 5.293 4.550 1.00 0.00 C ATOM 947 CG ASP A 63 12.986 4.244 4.334 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.888 4.508 3.555 1.00 0.00 O ATOM 949 OD2 ASP A 63 12.902 3.194 4.949 1.00 0.00 O ATOM 0 H ASP A 63 11.136 7.778 2.764 1.00 0.00 H new ATOM 0 HA ASP A 63 12.036 5.648 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.311 6.168 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.117 4.895 5.201 1.00 0.00 H new ATOM 954 N ASP A 64 10.338 3.981 1.771 1.00 0.00 N ATOM 955 CA ASP A 64 9.263 3.032 1.346 1.00 0.00 C ATOM 956 C ASP A 64 7.981 3.789 0.965 1.00 0.00 C ATOM 957 O ASP A 64 7.643 3.889 -0.198 1.00 0.00 O ATOM 958 CB ASP A 64 9.015 2.147 2.568 1.00 0.00 C ATOM 959 CG ASP A 64 9.398 0.704 2.239 1.00 0.00 C ATOM 960 OD1 ASP A 64 10.395 0.515 1.561 1.00 0.00 O ATOM 961 OD2 ASP A 64 8.688 -0.190 2.670 1.00 0.00 O ATOM 0 H ASP A 64 11.180 3.970 1.195 1.00 0.00 H new ATOM 0 HA ASP A 64 9.555 2.456 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.600 2.506 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.966 2.198 2.861 1.00 0.00 H new ATOM 966 N CYS A 65 7.257 4.323 1.920 1.00 0.00 N ATOM 967 CA CYS A 65 6.011 5.060 1.573 1.00 0.00 C ATOM 968 C CYS A 65 6.329 6.523 1.251 1.00 0.00 C ATOM 969 O CYS A 65 5.461 7.373 1.260 1.00 0.00 O ATOM 970 CB CYS A 65 5.140 4.961 2.821 1.00 0.00 C ATOM 971 SG CYS A 65 4.755 3.224 3.145 1.00 0.00 S ATOM 0 H CYS A 65 7.476 4.279 2.915 1.00 0.00 H new ATOM 0 HA CYS A 65 5.516 4.647 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.658 5.396 3.676 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.220 5.530 2.683 1.00 0.00 H new ATOM 976 N ASN A 66 7.567 6.821 0.963 1.00 0.00 N ATOM 977 CA ASN A 66 7.939 8.228 0.639 1.00 0.00 C ATOM 978 C ASN A 66 7.866 8.460 -0.872 1.00 0.00 C ATOM 979 O ASN A 66 6.772 8.408 -1.409 1.00 0.00 O ATOM 980 CB ASN A 66 9.376 8.385 1.136 1.00 0.00 C ATOM 981 CG ASN A 66 10.248 7.277 0.544 1.00 0.00 C ATOM 982 OD1 ASN A 66 9.872 6.122 0.550 1.00 0.00 O ATOM 983 ND2 ASN A 66 11.408 7.583 0.028 1.00 0.00 N ATOM 984 OXT ASN A 66 8.907 8.686 -1.467 1.00 0.00 O ATOM 0 H ASN A 66 8.336 6.152 0.938 1.00 0.00 H new ATOM 0 HA ASN A 66 7.267 8.949 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.766 9.361 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.402 8.339 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.998 6.852 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.724 8.553 0.023 1.00 0.00 H new TER 991 ASN A 66