USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 280 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 32 ASN : amide:sc= 1.75 K(o=3,f=-4.9) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -163:sc= 1.21 (180deg=-0.00823) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 78:sc= 0.166 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 2 18.215 7.664 -3.647 1.00 0.00 N ATOM 20 CA VAL A 2 18.905 8.001 -2.373 1.00 0.00 C ATOM 21 C VAL A 2 18.747 6.881 -1.324 1.00 0.00 C ATOM 22 O VAL A 2 18.801 7.120 -0.119 1.00 0.00 O ATOM 23 CB VAL A 2 18.463 9.380 -1.819 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.831 10.519 -2.778 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.956 9.460 -1.528 1.00 0.00 C ATOM 0 HA VAL A 2 19.968 8.080 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 2 19.003 9.492 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.505 11.470 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.911 10.537 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.338 10.360 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.712 10.450 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.398 9.280 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.688 8.707 -0.787 1.00 0.00 H new ATOM 35 N PHE A 3 18.483 5.652 -1.789 1.00 0.00 N ATOM 36 CA PHE A 3 18.091 4.472 -0.995 1.00 0.00 C ATOM 37 C PHE A 3 16.951 4.733 0.020 1.00 0.00 C ATOM 38 O PHE A 3 16.868 4.100 1.073 1.00 0.00 O ATOM 39 CB PHE A 3 19.353 3.811 -0.406 1.00 0.00 C ATOM 40 CG PHE A 3 19.230 2.307 -0.209 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.255 1.747 1.083 1.00 0.00 C ATOM 42 CD2 PHE A 3 19.110 1.464 -1.338 1.00 0.00 C ATOM 43 CE1 PHE A 3 19.160 0.348 1.248 1.00 0.00 C ATOM 44 CE2 PHE A 3 19.009 0.069 -1.169 1.00 0.00 C ATOM 45 CZ PHE A 3 19.036 -0.490 0.121 1.00 0.00 C ATOM 0 H PHE A 3 18.540 5.439 -2.785 1.00 0.00 H new ATOM 0 HA PHE A 3 17.624 3.749 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.197 4.013 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.580 4.275 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.347 2.388 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.096 1.890 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.182 -0.081 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.911 -0.573 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.962 -1.560 0.248 1.00 0.00 H new ATOM 55 N TYR A 4 16.062 5.679 -0.317 1.00 0.00 N ATOM 56 CA TYR A 4 14.835 6.067 0.402 1.00 0.00 C ATOM 57 C TYR A 4 15.014 6.499 1.875 1.00 0.00 C ATOM 58 O TYR A 4 14.032 6.573 2.612 1.00 0.00 O ATOM 59 CB TYR A 4 13.769 4.965 0.232 1.00 0.00 C ATOM 60 CG TYR A 4 13.572 4.520 -1.208 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.837 5.327 -2.098 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.155 3.322 -1.662 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.688 4.936 -3.447 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.009 2.926 -3.009 1.00 0.00 C ATOM 65 CZ TYR A 4 13.272 3.737 -3.903 1.00 0.00 C ATOM 66 OH TYR A 4 13.128 3.369 -5.210 1.00 0.00 O ATOM 0 H TYR A 4 16.190 6.236 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 4 14.495 6.990 -0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.053 4.102 0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.819 5.328 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.387 6.245 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.716 2.703 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.126 5.556 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.458 2.007 -3.356 1.00 0.00 H new ATOM 0 HH TYR A 4 13.591 2.519 -5.363 1.00 0.00 H new ATOM 76 N VAL A 5 16.243 6.808 2.325 1.00 0.00 N ATOM 77 CA VAL A 5 16.571 7.031 3.750 1.00 0.00 C ATOM 78 C VAL A 5 15.713 8.093 4.452 1.00 0.00 C ATOM 79 O VAL A 5 15.393 7.931 5.626 1.00 0.00 O ATOM 80 CB VAL A 5 18.072 7.329 3.959 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.934 6.145 3.504 1.00 0.00 C ATOM 82 CG2 VAL A 5 18.559 8.596 3.239 1.00 0.00 C ATOM 0 H VAL A 5 17.047 6.912 1.706 1.00 0.00 H new ATOM 0 HA VAL A 5 16.324 6.083 4.229 1.00 0.00 H new ATOM 0 HB VAL A 5 18.182 7.496 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.987 6.380 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.669 5.259 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.759 5.953 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.622 8.739 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 5 18.397 8.490 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 5 18.004 9.459 3.606 1.00 0.00 H new ATOM 92 N ALA A 6 15.300 9.152 3.739 1.00 0.00 N ATOM 93 CA ALA A 6 14.384 10.163 4.268 1.00 0.00 C ATOM 94 C ALA A 6 12.957 9.612 4.453 1.00 0.00 C ATOM 95 O ALA A 6 12.396 9.712 5.544 1.00 0.00 O ATOM 96 CB ALA A 6 14.401 11.376 3.326 1.00 0.00 C ATOM 0 H ALA A 6 15.595 9.328 2.778 1.00 0.00 H new ATOM 0 HA ALA A 6 14.720 10.463 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.723 12.141 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.412 11.781 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.081 11.068 2.331 1.00 0.00 H new ATOM 102 N LEU A 7 12.387 8.964 3.432 1.00 0.00 N ATOM 103 CA LEU A 7 11.059 8.328 3.479 1.00 0.00 C ATOM 104 C LEU A 7 10.988 7.301 4.628 1.00 0.00 C ATOM 105 O LEU A 7 10.049 7.295 5.422 1.00 0.00 O ATOM 106 CB LEU A 7 10.789 7.696 2.092 1.00 0.00 C ATOM 107 CG LEU A 7 9.308 7.457 1.722 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.246 6.945 0.280 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.590 6.427 2.598 1.00 0.00 C ATOM 0 H LEU A 7 12.845 8.863 2.526 1.00 0.00 H new ATOM 0 HA LEU A 7 10.281 9.062 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.231 8.339 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.311 6.741 2.044 1.00 0.00 H new ATOM 0 HG LEU A 7 8.805 8.413 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.207 6.770 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.682 7.687 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.805 6.013 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.557 6.324 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.095 5.465 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.606 6.758 3.636 1.00 0.00 H new ATOM 121 N THR A 8 12.037 6.493 4.787 1.00 0.00 N ATOM 122 CA THR A 8 12.183 5.494 5.861 1.00 0.00 C ATOM 123 C THR A 8 12.222 6.094 7.282 1.00 0.00 C ATOM 124 O THR A 8 11.948 5.377 8.244 1.00 0.00 O ATOM 125 CB THR A 8 13.416 4.607 5.580 1.00 0.00 C ATOM 126 OG1 THR A 8 13.290 4.043 4.291 1.00 0.00 O ATOM 127 CG2 THR A 8 13.584 3.418 6.527 1.00 0.00 C ATOM 0 H THR A 8 12.837 6.512 4.155 1.00 0.00 H new ATOM 0 HA THR A 8 11.282 4.881 5.848 1.00 0.00 H new ATOM 0 HB THR A 8 14.272 5.270 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.524 4.714 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.476 2.856 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.686 3.779 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.710 2.770 6.456 1.00 0.00 H new ATOM 135 N ALA A 9 12.483 7.402 7.440 1.00 0.00 N ATOM 136 CA ALA A 9 12.695 8.048 8.743 1.00 0.00 C ATOM 137 C ALA A 9 11.734 9.221 9.022 1.00 0.00 C ATOM 138 O ALA A 9 10.894 9.112 9.916 1.00 0.00 O ATOM 139 CB ALA A 9 14.167 8.473 8.827 1.00 0.00 C ATOM 0 H ALA A 9 12.553 8.048 6.654 1.00 0.00 H new ATOM 0 HA ALA A 9 12.464 7.327 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.352 8.956 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.805 7.594 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.391 9.171 8.020 1.00 0.00 H new ATOM 145 N VAL A 10 11.792 10.320 8.254 1.00 0.00 N ATOM 146 CA VAL A 10 10.907 11.495 8.435 1.00 0.00 C ATOM 147 C VAL A 10 9.477 11.287 7.901 1.00 0.00 C ATOM 148 O VAL A 10 8.587 12.076 8.214 1.00 0.00 O ATOM 149 CB VAL A 10 11.517 12.801 7.875 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.749 13.209 8.693 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.913 12.728 6.396 1.00 0.00 C ATOM 0 H VAL A 10 12.454 10.425 7.486 1.00 0.00 H new ATOM 0 HA VAL A 10 10.825 11.603 9.516 1.00 0.00 H new ATOM 0 HB VAL A 10 10.725 13.545 7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.167 14.130 8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.459 13.369 9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.497 12.418 8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.332 13.685 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.657 11.943 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.032 12.504 5.794 1.00 0.00 H new ATOM 180 N VAL A 12 8.503 7.791 8.311 1.00 0.00 N ATOM 181 CA VAL A 12 8.444 6.502 9.045 1.00 0.00 C ATOM 182 C VAL A 12 8.170 5.243 8.194 1.00 0.00 C ATOM 183 O VAL A 12 7.522 4.300 8.652 1.00 0.00 O ATOM 184 CB VAL A 12 7.523 6.601 10.288 1.00 0.00 C ATOM 185 CG1 VAL A 12 8.021 7.679 11.261 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.050 6.885 9.959 1.00 0.00 C ATOM 0 HA VAL A 12 9.466 6.339 9.386 1.00 0.00 H new ATOM 0 HB VAL A 12 7.572 5.613 10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.356 7.726 12.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.029 7.431 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.032 8.646 10.758 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.475 6.939 10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.972 7.833 9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.656 6.085 9.333 1.00 0.00 H new ATOM 196 N ALA A 13 8.656 5.217 6.948 1.00 0.00 N ATOM 197 CA ALA A 13 8.367 4.184 5.943 1.00 0.00 C ATOM 198 C ALA A 13 6.855 3.928 5.726 1.00 0.00 C ATOM 199 O ALA A 13 6.441 2.785 5.529 1.00 0.00 O ATOM 200 CB ALA A 13 9.163 2.905 6.267 1.00 0.00 C ATOM 0 H ALA A 13 9.284 5.940 6.598 1.00 0.00 H new ATOM 0 HA ALA A 13 8.704 4.559 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.946 2.142 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.230 3.128 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.877 2.539 7.253 1.00 0.00 H new ATOM 206 N VAL A 14 6.013 4.973 5.766 1.00 0.00 N ATOM 207 CA VAL A 14 4.538 4.891 5.659 1.00 0.00 C ATOM 208 C VAL A 14 4.031 4.059 4.469 1.00 0.00 C ATOM 209 O VAL A 14 2.985 3.409 4.559 1.00 0.00 O ATOM 210 CB VAL A 14 3.912 6.303 5.695 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.260 7.155 4.466 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.388 6.264 5.855 1.00 0.00 C ATOM 0 H VAL A 14 6.345 5.931 5.877 1.00 0.00 H new ATOM 0 HA VAL A 14 4.201 4.338 6.535 1.00 0.00 H new ATOM 0 HB VAL A 14 4.355 6.773 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.788 8.133 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.341 7.278 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.898 6.659 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.998 7.282 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.948 5.723 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.133 5.760 6.787 1.00 0.00 H new ATOM 222 N ALA A 15 4.801 4.003 3.380 1.00 0.00 N ATOM 223 CA ALA A 15 4.552 3.150 2.213 1.00 0.00 C ATOM 224 C ALA A 15 4.408 1.649 2.557 1.00 0.00 C ATOM 225 O ALA A 15 3.707 0.932 1.843 1.00 0.00 O ATOM 226 CB ALA A 15 5.684 3.386 1.206 1.00 0.00 C ATOM 0 H ALA A 15 5.644 4.569 3.282 1.00 0.00 H new ATOM 0 HA ALA A 15 3.588 3.428 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.524 2.763 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.695 4.435 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.639 3.128 1.665 1.00 0.00 H new ATOM 232 N LEU A 16 5.010 1.165 3.651 1.00 0.00 N ATOM 233 CA LEU A 16 4.850 -0.204 4.171 1.00 0.00 C ATOM 234 C LEU A 16 3.387 -0.514 4.524 1.00 0.00 C ATOM 235 O LEU A 16 2.852 -1.548 4.128 1.00 0.00 O ATOM 236 CB LEU A 16 5.760 -0.356 5.408 1.00 0.00 C ATOM 237 CG LEU A 16 5.688 -1.721 6.117 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.144 -2.871 5.218 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.582 -1.697 7.357 1.00 0.00 C ATOM 0 H LEU A 16 5.642 1.731 4.218 1.00 0.00 H new ATOM 0 HA LEU A 16 5.138 -0.919 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.791 -0.178 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.501 0.422 6.126 1.00 0.00 H new ATOM 0 HG LEU A 16 4.645 -1.890 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.074 -3.811 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.507 -2.917 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.177 -2.706 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.532 -2.663 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.611 -1.495 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.241 -0.916 8.036 1.00 0.00 H new ATOM 251 N TYR A 17 2.727 0.385 5.258 1.00 0.00 N ATOM 252 CA TYR A 17 1.335 0.220 5.697 1.00 0.00 C ATOM 253 C TYR A 17 0.349 0.461 4.543 1.00 0.00 C ATOM 254 O TYR A 17 -0.684 -0.208 4.469 1.00 0.00 O ATOM 255 CB TYR A 17 1.052 1.152 6.888 1.00 0.00 C ATOM 256 CG TYR A 17 2.112 1.063 7.974 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.209 -0.089 8.783 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.047 2.102 8.126 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.256 -0.207 9.720 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.097 1.992 9.057 1.00 0.00 C ATOM 261 CZ TYR A 17 4.207 0.829 9.857 1.00 0.00 C ATOM 262 OH TYR A 17 5.224 0.699 10.754 1.00 0.00 O ATOM 0 H TYR A 17 3.148 1.260 5.569 1.00 0.00 H new ATOM 0 HA TYR A 17 1.191 -0.811 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.990 2.180 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.080 0.903 7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.481 -0.881 8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.959 2.993 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.331 -1.092 10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.816 2.791 9.161 1.00 0.00 H new ATOM 0 HH TYR A 17 5.791 1.498 10.724 1.00 0.00 H new ATOM 272 N ALA A 18 0.690 1.353 3.602 1.00 0.00 N ATOM 273 CA ALA A 18 -0.045 1.520 2.348 1.00 0.00 C ATOM 274 C ALA A 18 0.023 0.254 1.473 1.00 0.00 C ATOM 275 O ALA A 18 -1.013 -0.250 1.051 1.00 0.00 O ATOM 276 CB ALA A 18 0.502 2.751 1.615 1.00 0.00 C ATOM 0 H ALA A 18 1.489 1.981 3.694 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.101 1.676 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.038 2.886 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.371 3.634 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.562 2.608 1.405 1.00 0.00 H new ATOM 282 N TYR A 19 1.207 -0.330 1.260 1.00 0.00 N ATOM 283 CA TYR A 19 1.355 -1.633 0.592 1.00 0.00 C ATOM 284 C TYR A 19 0.603 -2.743 1.346 1.00 0.00 C ATOM 285 O TYR A 19 -0.079 -3.566 0.739 1.00 0.00 O ATOM 286 CB TYR A 19 2.851 -1.958 0.452 1.00 0.00 C ATOM 287 CG TYR A 19 3.147 -3.170 -0.418 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.303 -4.444 0.159 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.270 -3.010 -1.815 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.584 -5.559 -0.655 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.556 -4.123 -2.631 1.00 0.00 C ATOM 292 CZ TYR A 19 3.711 -5.401 -2.053 1.00 0.00 C ATOM 293 OH TYR A 19 3.984 -6.481 -2.833 1.00 0.00 O ATOM 0 H TYR A 19 2.093 0.086 1.546 1.00 0.00 H new ATOM 0 HA TYR A 19 0.908 -1.578 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.362 -1.091 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.269 -2.126 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.207 -4.567 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.145 -2.034 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.702 -6.536 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.657 -3.998 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 19 4.038 -6.202 -3.771 1.00 0.00 H new ATOM 303 N GLY A 20 0.608 -2.687 2.683 1.00 0.00 N ATOM 304 CA GLY A 20 -0.163 -3.546 3.587 1.00 0.00 C ATOM 305 C GLY A 20 -1.696 -3.445 3.508 1.00 0.00 C ATOM 306 O GLY A 20 -2.372 -4.131 4.280 1.00 0.00 O ATOM 0 H GLY A 20 1.178 -2.008 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.119 -4.581 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.139 -3.319 4.609 1.00 0.00 H new ATOM 310 N LEU A 21 -2.246 -2.634 2.587 1.00 0.00 N ATOM 311 CA LEU A 21 -3.685 -2.610 2.267 1.00 0.00 C ATOM 312 C LEU A 21 -3.999 -2.464 0.764 1.00 0.00 C ATOM 313 O LEU A 21 -4.999 -3.006 0.293 1.00 0.00 O ATOM 314 CB LEU A 21 -4.381 -1.558 3.158 1.00 0.00 C ATOM 315 CG LEU A 21 -4.132 -0.071 2.835 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.159 0.491 1.845 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.237 0.765 4.111 1.00 0.00 C ATOM 0 H LEU A 21 -1.699 -1.970 2.038 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.100 -3.590 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.455 -1.736 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.073 -1.734 4.189 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.137 -0.014 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.940 1.541 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.109 -0.069 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.159 0.401 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.060 1.814 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.233 0.653 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.493 0.425 4.831 1.00 0.00 H new ATOM 342 N PHE A 23 -1.940 -3.786 -1.531 1.00 0.00 N ATOM 343 CA PHE A 23 -1.426 -5.062 -2.041 1.00 0.00 C ATOM 344 C PHE A 23 -1.701 -6.219 -1.075 1.00 0.00 C ATOM 345 O PHE A 23 -2.194 -7.260 -1.518 1.00 0.00 O ATOM 346 CB PHE A 23 0.086 -4.943 -2.319 1.00 0.00 C ATOM 347 CG PHE A 23 0.440 -4.798 -3.787 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.728 -5.947 -4.555 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.504 -3.525 -4.386 1.00 0.00 C ATOM 350 CE1 PHE A 23 1.091 -5.819 -5.910 1.00 0.00 C ATOM 351 CE2 PHE A 23 0.865 -3.400 -5.741 1.00 0.00 C ATOM 352 CZ PHE A 23 1.161 -4.545 -6.502 1.00 0.00 C ATOM 0 HA PHE A 23 -1.951 -5.285 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.477 -4.083 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.587 -5.825 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.670 -6.926 -4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.276 -2.644 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.316 -6.699 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.915 -2.422 -6.197 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.442 -4.446 -7.540 1.00 0.00 H new ATOM 362 N ARG A 24 -1.440 -6.042 0.234 1.00 0.00 N ATOM 363 CA ARG A 24 -1.623 -7.031 1.328 1.00 0.00 C ATOM 364 C ARG A 24 -1.202 -8.473 0.969 1.00 0.00 C ATOM 365 O ARG A 24 -1.838 -9.447 1.368 1.00 0.00 O ATOM 366 CB ARG A 24 -3.017 -6.871 1.989 1.00 0.00 C ATOM 367 CG ARG A 24 -4.259 -6.800 1.080 1.00 0.00 C ATOM 368 CD ARG A 24 -4.649 -8.128 0.424 1.00 0.00 C ATOM 369 NE ARG A 24 -5.823 -7.951 -0.452 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.847 -7.860 -1.769 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.781 -7.894 -2.513 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.002 -7.717 -2.351 1.00 0.00 N ATOM 0 H ARG A 24 -1.074 -5.156 0.583 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.900 -6.794 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.156 -7.706 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.995 -5.963 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.103 -6.439 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.078 -6.063 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.810 -8.513 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.871 -8.868 1.193 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.727 -7.892 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.862 -7.996 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.864 -7.819 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.854 -7.678 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.056 -7.644 -3.367 1.00 0.00 H new ATOM 386 N LEU A 25 -0.140 -8.584 0.168 1.00 0.00 N ATOM 387 CA LEU A 25 0.258 -9.792 -0.572 1.00 0.00 C ATOM 388 C LEU A 25 0.880 -10.893 0.311 1.00 0.00 C ATOM 389 O LEU A 25 0.833 -12.072 -0.043 1.00 0.00 O ATOM 390 CB LEU A 25 1.249 -9.326 -1.665 1.00 0.00 C ATOM 391 CG LEU A 25 1.675 -10.403 -2.686 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.487 -10.944 -3.487 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.672 -9.798 -3.674 1.00 0.00 C ATOM 0 H LEU A 25 0.496 -7.803 0.008 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.630 -10.261 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.798 -8.495 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.144 -8.940 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 25 2.118 -11.224 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.837 -11.698 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.237 -11.391 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.015 -10.128 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.974 -10.556 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.205 -8.964 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.549 -9.441 -3.134 1.00 0.00 H new ATOM 424 N GLY A 27 2.307 -11.819 4.749 1.00 0.00 N ATOM 425 CA GLY A 27 2.038 -11.575 6.179 1.00 0.00 C ATOM 426 C GLY A 27 3.008 -12.251 7.154 1.00 0.00 C ATOM 427 O GLY A 27 2.717 -12.314 8.348 1.00 0.00 O ATOM 0 HA2 GLY A 27 2.060 -10.500 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.027 -11.915 6.404 1.00 0.00 H new ATOM 431 N ALA A 28 4.151 -12.752 6.674 1.00 0.00 N ATOM 432 CA ALA A 28 5.177 -13.385 7.512 1.00 0.00 C ATOM 433 C ALA A 28 5.800 -12.429 8.557 1.00 0.00 C ATOM 434 O ALA A 28 6.142 -12.860 9.663 1.00 0.00 O ATOM 435 CB ALA A 28 6.258 -13.959 6.585 1.00 0.00 C ATOM 0 H ALA A 28 4.393 -12.730 5.683 1.00 0.00 H new ATOM 0 HA ALA A 28 4.701 -14.173 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.034 -14.436 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.811 -14.695 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.697 -13.154 5.996 1.00 0.00 H new ATOM 441 N SER A 29 5.910 -11.134 8.218 1.00 0.00 N ATOM 442 CA SER A 29 6.639 -10.116 9.000 1.00 0.00 C ATOM 443 C SER A 29 6.021 -8.701 8.943 1.00 0.00 C ATOM 444 O SER A 29 6.686 -7.733 9.314 1.00 0.00 O ATOM 445 CB SER A 29 8.106 -10.043 8.524 1.00 0.00 C ATOM 446 OG SER A 29 8.756 -11.305 8.567 1.00 0.00 O ATOM 0 H SER A 29 5.485 -10.754 7.372 1.00 0.00 H new ATOM 0 HA SER A 29 6.572 -10.441 10.038 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.135 -9.658 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.652 -9.335 9.148 1.00 0.00 H new ATOM 0 HG SER A 29 9.680 -11.208 8.255 1.00 0.00 H new ATOM 452 N GLY A 30 4.780 -8.539 8.456 1.00 0.00 N ATOM 453 CA GLY A 30 4.207 -7.211 8.176 1.00 0.00 C ATOM 454 C GLY A 30 2.686 -7.155 7.929 1.00 0.00 C ATOM 455 O GLY A 30 2.003 -8.184 7.956 1.00 0.00 O ATOM 0 H GLY A 30 4.151 -9.315 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.441 -6.555 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.710 -6.800 7.301 1.00 0.00 H new ATOM 459 N PRO A 31 2.144 -5.937 7.710 1.00 0.00 N ATOM 460 CA PRO A 31 0.703 -5.665 7.638 1.00 0.00 C ATOM 461 C PRO A 31 0.026 -6.314 6.422 1.00 0.00 C ATOM 462 O PRO A 31 0.534 -6.239 5.302 1.00 0.00 O ATOM 463 CB PRO A 31 0.580 -4.133 7.607 1.00 0.00 C ATOM 464 CG PRO A 31 1.913 -3.671 7.018 1.00 0.00 C ATOM 465 CD PRO A 31 2.899 -4.697 7.567 1.00 0.00 C ATOM 0 HA PRO A 31 0.187 -6.101 8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.261 -3.812 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.421 -3.724 8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.895 -3.670 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.165 -2.659 7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.743 -4.829 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.306 -4.374 8.525 1.00 0.00 H new ATOM 473 N ASN A 32 -1.131 -6.956 6.648 1.00 0.00 N ATOM 474 CA ASN A 32 -1.836 -7.759 5.633 1.00 0.00 C ATOM 475 C ASN A 32 -3.357 -7.934 5.878 1.00 0.00 C ATOM 476 O ASN A 32 -3.971 -8.847 5.321 1.00 0.00 O ATOM 477 CB ASN A 32 -1.103 -9.115 5.502 1.00 0.00 C ATOM 478 CG ASN A 32 -1.224 -10.003 6.729 1.00 0.00 C ATOM 479 OD1 ASN A 32 -2.091 -10.860 6.821 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.377 -9.842 7.720 1.00 0.00 N ATOM 0 H ASN A 32 -1.609 -6.933 7.549 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.800 -7.210 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.500 -9.649 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.048 -8.928 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.448 -10.428 8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.352 -9.131 7.658 1.00 0.00 H new ATOM 487 N LYS A 33 -3.976 -7.095 6.725 1.00 0.00 N ATOM 488 CA LYS A 33 -5.362 -7.274 7.235 1.00 0.00 C ATOM 489 C LYS A 33 -6.220 -5.988 7.159 1.00 0.00 C ATOM 490 O LYS A 33 -7.113 -5.763 7.986 1.00 0.00 O ATOM 491 CB LYS A 33 -5.328 -7.923 8.642 1.00 0.00 C ATOM 492 CG LYS A 33 -4.949 -9.409 8.610 1.00 0.00 C ATOM 493 CD LYS A 33 -6.067 -10.298 8.038 1.00 0.00 C ATOM 494 CE LYS A 33 -5.611 -11.735 7.743 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.729 -11.801 6.546 1.00 0.00 N ATOM 0 H LYS A 33 -3.525 -6.254 7.086 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.879 -7.963 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.614 -7.385 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.306 -7.814 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.048 -9.536 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.709 -9.740 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.897 -10.325 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.445 -9.849 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.080 -12.132 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.484 -12.368 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.676 -12.783 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.118 -11.196 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.776 -11.470 6.798 1.00 0.00 H new ATOM 509 N LYS A 34 -5.972 -5.160 6.133 1.00 0.00 N ATOM 510 CA LYS A 34 -6.817 -4.042 5.672 1.00 0.00 C ATOM 511 C LYS A 34 -6.883 -4.052 4.131 1.00 0.00 C ATOM 512 O LYS A 34 -6.062 -4.705 3.499 1.00 0.00 O ATOM 513 CB LYS A 34 -6.239 -2.712 6.189 1.00 0.00 C ATOM 514 CG LYS A 34 -6.217 -2.570 7.725 1.00 0.00 C ATOM 515 CD LYS A 34 -5.735 -1.170 8.150 1.00 0.00 C ATOM 516 CE LYS A 34 -5.452 -1.064 9.656 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.682 -1.233 10.473 1.00 0.00 N ATOM 0 H LYS A 34 -5.128 -5.256 5.568 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.828 -4.153 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.221 -2.604 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.822 -1.892 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.215 -2.750 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.562 -3.328 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.829 -0.920 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.490 -0.433 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.722 -1.822 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.005 -0.094 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.442 -1.154 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.370 -0.495 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.096 -2.169 10.288 1.00 0.00 H new ATOM 531 N GLU A 35 -7.815 -3.322 3.546 1.00 0.00 N ATOM 532 CA GLU A 35 -7.954 -3.163 2.106 1.00 0.00 C ATOM 533 C GLU A 35 -8.425 -1.727 1.718 1.00 0.00 C ATOM 534 O GLU A 35 -8.949 -0.995 2.584 1.00 0.00 O ATOM 535 CB GLU A 35 -8.937 -4.192 1.499 1.00 0.00 C ATOM 536 CG GLU A 35 -8.394 -5.631 1.535 1.00 0.00 C ATOM 537 CD GLU A 35 -9.258 -6.577 0.693 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.664 -7.327 -0.159 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.476 -6.629 0.846 1.00 0.00 O ATOM 0 H GLU A 35 -8.519 -2.807 4.074 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.960 -3.335 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.880 -4.151 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.153 -3.916 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.369 -5.644 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.364 -5.984 2.566 1.00 0.00 H new ATOM 546 N SER A 36 -8.295 -1.349 0.461 1.00 0.00 N ATOM 547 CA SER A 36 -8.728 -0.012 -0.111 1.00 0.00 C ATOM 548 C SER A 36 -10.215 0.254 0.120 1.00 0.00 C ATOM 549 O SER A 36 -11.047 -0.652 0.044 1.00 0.00 O ATOM 550 CB SER A 36 -8.379 0.032 -1.617 1.00 0.00 C ATOM 551 OG SER A 36 -7.041 -0.099 -1.767 1.00 0.00 O ATOM 0 H SER A 36 -7.876 -1.957 -0.243 1.00 0.00 H new ATOM 0 HA SER A 36 -8.189 0.780 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.896 -0.768 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.716 0.972 -2.053 1.00 0.00 H new ATOM 0 HG SER A 36 -6.815 -0.073 -2.720 1.00 0.00 H new ATOM 557 N ARG A 37 -10.581 1.551 0.224 1.00 0.00 N ATOM 558 CA ARG A 37 -12.000 2.061 0.483 1.00 0.00 C ATOM 559 C ARG A 37 -12.225 3.378 -0.254 1.00 0.00 C ATOM 560 O ARG A 37 -11.294 3.996 -0.786 1.00 0.00 O ATOM 561 CB ARG A 37 -12.198 2.220 2.005 1.00 0.00 C ATOM 562 CG ARG A 37 -12.066 0.942 2.855 1.00 0.00 C ATOM 563 CD ARG A 37 -13.127 -0.115 2.525 1.00 0.00 C ATOM 564 NE ARG A 37 -12.891 -1.384 3.242 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.515 -2.549 2.726 1.00 0.00 C ATOM 566 NH1 ARG A 37 -12.112 -2.684 1.511 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.562 -3.620 3.448 1.00 0.00 N ATOM 0 H ARG A 37 -9.905 2.309 0.133 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.734 1.348 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.472 2.948 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.188 2.643 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.076 0.513 2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.141 1.206 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.113 0.269 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.130 -0.301 1.451 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.033 -1.364 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.070 -1.873 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.834 -3.602 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.888 -3.570 4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.273 -4.515 3.052 1.00 0.00 H new ATOM 581 N GLY A 38 -13.468 3.837 -0.233 1.00 0.00 N ATOM 582 CA GLY A 38 -13.911 5.126 -0.796 1.00 0.00 C ATOM 583 C GLY A 38 -15.336 5.519 -0.359 1.00 0.00 C ATOM 584 O GLY A 38 -16.032 4.738 0.305 1.00 0.00 O ATOM 0 H GLY A 38 -14.232 3.310 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.215 5.907 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.873 5.073 -1.884 1.00 0.00 H new ATOM 588 N ARG A 39 -15.773 6.743 -0.724 1.00 0.00 N ATOM 589 CA ARG A 39 -17.036 7.379 -0.267 1.00 0.00 C ATOM 590 C ARG A 39 -17.877 8.024 -1.390 1.00 0.00 C ATOM 591 O ARG A 39 -18.862 8.699 -1.091 1.00 0.00 O ATOM 592 CB ARG A 39 -16.711 8.388 0.862 1.00 0.00 C ATOM 593 CG ARG A 39 -16.333 7.705 2.186 1.00 0.00 C ATOM 594 CD ARG A 39 -16.066 8.753 3.271 1.00 0.00 C ATOM 595 NE ARG A 39 -15.883 8.124 4.595 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.515 8.729 5.712 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.216 9.997 5.752 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.443 8.062 6.830 1.00 0.00 N ATOM 0 H ARG A 39 -15.244 7.337 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.676 6.582 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.890 9.030 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.575 9.033 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.138 7.041 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.447 7.086 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.176 9.327 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.898 9.456 3.312 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.058 7.121 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.262 10.559 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.936 10.427 6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.671 7.068 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.159 8.534 7.688 1.00 0.00 H new ATOM 612 N GLY A 40 -17.519 7.826 -2.662 1.00 0.00 N ATOM 613 CA GLY A 40 -18.242 8.410 -3.803 1.00 0.00 C ATOM 614 C GLY A 40 -17.831 7.919 -5.201 1.00 0.00 C ATOM 615 O GLY A 40 -18.465 8.277 -6.193 1.00 0.00 O ATOM 0 H GLY A 40 -16.718 7.255 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.305 8.211 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.114 9.492 -3.770 1.00 0.00 H new