USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 325 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.38! C(o=-2.4!,f=-4.9!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 30 GLN : amide:sc=-0.00224 X(o=-0.0022,f=0) USER MOD Single : A 32 THR OG1 : rot 127:sc= 0.86 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.00682 X(o=0.0068,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 18.239 -2.666 -2.193 1.00 0.00 N ATOM 2 CA ILE A 4 19.348 -2.284 -3.117 1.00 0.00 C ATOM 3 C ILE A 4 20.716 -2.444 -2.443 1.00 0.00 C ATOM 4 O ILE A 4 21.447 -3.384 -2.744 1.00 0.00 O ATOM 5 CB ILE A 4 19.189 -0.830 -3.628 1.00 0.00 C ATOM 6 CG1 ILE A 4 17.826 -0.640 -4.302 1.00 0.00 C ATOM 7 CG2 ILE A 4 20.307 -0.476 -4.601 1.00 0.00 C ATOM 8 CD1 ILE A 4 16.762 -0.089 -3.376 1.00 0.00 C ATOM 0 HA ILE A 4 19.293 -2.961 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 4 19.250 -0.162 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 4 17.941 0.034 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 4 17.490 -1.598 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 4 20.177 0.549 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 4 21.270 -0.569 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 4 20.276 -1.154 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.825 0.019 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.618 -0.773 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 4 17.076 0.884 -2.999 1.00 0.00 H new ATOM 22 N VAL A 5 21.053 -1.529 -1.529 1.00 0.00 N ATOM 23 CA VAL A 5 22.333 -1.590 -0.818 1.00 0.00 C ATOM 24 C VAL A 5 22.200 -2.391 0.480 1.00 0.00 C ATOM 25 O VAL A 5 22.766 -3.478 0.604 1.00 0.00 O ATOM 26 CB VAL A 5 22.875 -0.176 -0.506 1.00 0.00 C ATOM 27 CG1 VAL A 5 24.117 -0.249 0.372 1.00 0.00 C ATOM 28 CG2 VAL A 5 23.181 0.575 -1.794 1.00 0.00 C ATOM 0 H VAL A 5 20.461 -0.742 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 5 23.042 -2.094 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 5 22.104 0.367 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 5 24.478 0.759 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 5 23.870 -0.743 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.894 -0.815 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 5 23.561 1.568 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 5 23.931 0.027 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 5 22.270 0.668 -2.386 1.00 0.00 H new ATOM 38 N LEU A 6 21.444 -1.854 1.439 1.00 0.00 N ATOM 39 CA LEU A 6 21.232 -2.526 2.720 1.00 0.00 C ATOM 40 C LEU A 6 19.788 -3.020 2.841 1.00 0.00 C ATOM 41 O LEU A 6 19.539 -4.224 2.878 1.00 0.00 O ATOM 42 CB LEU A 6 21.578 -1.585 3.882 1.00 0.00 C ATOM 43 CG LEU A 6 22.887 -1.908 4.605 1.00 0.00 C ATOM 44 CD1 LEU A 6 23.373 -0.703 5.393 1.00 0.00 C ATOM 45 CD2 LEU A 6 22.707 -3.103 5.525 1.00 0.00 C ATOM 0 H LEU A 6 20.969 -0.956 1.352 1.00 0.00 H new ATOM 0 HA LEU A 6 21.893 -3.392 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 6 21.633 -0.565 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 6 20.764 -1.611 4.606 1.00 0.00 H new ATOM 0 HG LEU A 6 23.639 -2.158 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 24.305 -0.952 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 6 23.542 0.132 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 22.621 -0.424 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 6 23.648 -3.318 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 6 21.940 -2.879 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 22.403 -3.971 4.939 1.00 0.00 H new ATOM 57 N SER A 7 18.837 -2.085 2.892 1.00 0.00 N ATOM 58 CA SER A 7 17.426 -2.432 2.995 1.00 0.00 C ATOM 59 C SER A 7 16.563 -1.476 2.164 1.00 0.00 C ATOM 60 O SER A 7 16.243 -1.770 1.011 1.00 0.00 O ATOM 61 CB SER A 7 16.987 -2.427 4.463 1.00 0.00 C ATOM 62 OG SER A 7 16.564 -3.717 4.871 1.00 0.00 O ATOM 0 H SER A 7 19.023 -1.082 2.863 1.00 0.00 H new ATOM 0 HA SER A 7 17.288 -3.436 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.813 -2.095 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.175 -1.713 4.601 1.00 0.00 H new ATOM 0 HG SER A 7 16.290 -3.689 5.812 1.00 0.00 H new ATOM 68 N LEU A 8 16.202 -0.329 2.747 1.00 0.00 N ATOM 69 CA LEU A 8 15.383 0.669 2.053 1.00 0.00 C ATOM 70 C LEU A 8 15.203 1.947 2.889 1.00 0.00 C ATOM 71 O LEU A 8 14.157 2.593 2.824 1.00 0.00 O ATOM 72 CB LEU A 8 14.012 0.073 1.695 1.00 0.00 C ATOM 73 CG LEU A 8 13.187 -0.441 2.882 1.00 0.00 C ATOM 74 CD1 LEU A 8 11.746 0.027 2.770 1.00 0.00 C ATOM 75 CD2 LEU A 8 13.245 -1.960 2.957 1.00 0.00 C ATOM 0 H LEU A 8 16.464 -0.069 3.698 1.00 0.00 H new ATOM 0 HA LEU A 8 15.908 0.946 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.430 0.832 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.164 -0.750 0.997 1.00 0.00 H new ATOM 0 HG LEU A 8 13.615 -0.034 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.175 -0.347 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.717 1.117 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.311 -0.353 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.654 -2.305 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.843 -2.385 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.280 -2.279 3.082 1.00 0.00 H new ATOM 87 N ASP A 9 16.232 2.320 3.659 1.00 0.00 N ATOM 88 CA ASP A 9 16.172 3.524 4.484 1.00 0.00 C ATOM 89 C ASP A 9 16.364 4.778 3.630 1.00 0.00 C ATOM 90 O ASP A 9 15.520 5.672 3.636 1.00 0.00 O ATOM 91 CB ASP A 9 17.226 3.466 5.591 1.00 0.00 C ATOM 92 CG ASP A 9 16.652 3.813 6.947 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.297 4.990 7.156 1.00 0.00 O ATOM 94 OD2 ASP A 9 16.555 2.905 7.795 1.00 0.00 O ATOM 0 H ASP A 9 17.110 1.806 3.725 1.00 0.00 H new ATOM 0 HA ASP A 9 15.185 3.573 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.658 2.466 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.037 4.155 5.355 1.00 0.00 H new ATOM 99 N VAL A 10 17.471 4.829 2.878 1.00 0.00 N ATOM 100 CA VAL A 10 17.751 5.970 2.003 1.00 0.00 C ATOM 101 C VAL A 10 16.499 6.345 1.200 1.00 0.00 C ATOM 102 O VAL A 10 16.052 7.492 1.235 1.00 0.00 O ATOM 103 CB VAL A 10 18.932 5.683 1.045 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.087 6.796 0.020 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.224 5.501 1.828 1.00 0.00 C ATOM 0 H VAL A 10 18.182 4.098 2.859 1.00 0.00 H new ATOM 0 HA VAL A 10 18.036 6.809 2.638 1.00 0.00 H new ATOM 0 HB VAL A 10 18.714 4.758 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.924 6.569 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.173 6.879 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.275 7.739 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.043 5.300 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.439 6.409 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.117 4.663 2.517 1.00 0.00 H new ATOM 115 N PRO A 11 15.889 5.370 0.486 1.00 0.00 N ATOM 116 CA PRO A 11 14.673 5.607 -0.288 1.00 0.00 C ATOM 117 C PRO A 11 13.420 5.563 0.573 1.00 0.00 C ATOM 118 O PRO A 11 12.431 4.910 0.228 1.00 0.00 O ATOM 119 CB PRO A 11 14.685 4.466 -1.297 1.00 0.00 C ATOM 120 CG PRO A 11 15.364 3.341 -0.592 1.00 0.00 C ATOM 121 CD PRO A 11 16.321 3.960 0.396 1.00 0.00 C ATOM 0 HA PRO A 11 14.656 6.597 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.673 4.192 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.221 4.746 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.637 2.709 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.896 2.706 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.268 3.465 1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.353 3.881 0.054 1.00 0.00 H new ATOM 129 N ILE A 12 13.461 6.281 1.686 1.00 0.00 N ATOM 130 CA ILE A 12 12.331 6.339 2.589 1.00 0.00 C ATOM 131 C ILE A 12 11.135 6.996 1.906 1.00 0.00 C ATOM 132 O ILE A 12 9.985 6.723 2.247 1.00 0.00 O ATOM 133 CB ILE A 12 12.699 7.070 3.906 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.045 6.039 4.990 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.583 8.003 4.369 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.040 5.957 6.123 1.00 0.00 C ATOM 0 H ILE A 12 14.268 6.831 1.982 1.00 0.00 H new ATOM 0 HA ILE A 12 12.054 5.318 2.852 1.00 0.00 H new ATOM 0 HB ILE A 12 13.572 7.695 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.131 5.057 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.023 6.282 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.881 8.495 5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.396 8.755 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.674 7.426 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.363 5.205 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.970 6.926 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.064 5.682 5.724 1.00 0.00 H new ATOM 148 N GLY A 13 11.406 7.834 0.906 1.00 0.00 N ATOM 149 CA GLY A 13 10.328 8.470 0.174 1.00 0.00 C ATOM 150 C GLY A 13 9.537 7.459 -0.624 1.00 0.00 C ATOM 151 O GLY A 13 8.317 7.567 -0.742 1.00 0.00 O ATOM 0 H GLY A 13 12.345 8.081 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.666 8.985 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.737 9.226 -0.496 1.00 0.00 H new ATOM 155 N LEU A 14 10.238 6.451 -1.147 1.00 0.00 N ATOM 156 CA LEU A 14 9.598 5.388 -1.922 1.00 0.00 C ATOM 157 C LEU A 14 8.591 4.637 -1.059 1.00 0.00 C ATOM 158 O LEU A 14 7.526 4.237 -1.532 1.00 0.00 O ATOM 159 CB LEU A 14 10.644 4.413 -2.482 1.00 0.00 C ATOM 160 CG LEU A 14 11.903 5.052 -3.075 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.669 4.038 -3.908 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.551 6.265 -3.920 1.00 0.00 C ATOM 0 H LEU A 14 11.248 6.349 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 14 9.073 5.847 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.945 3.735 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.170 3.806 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 14 12.535 5.381 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.561 4.507 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.960 3.197 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.036 3.682 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.463 6.700 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.895 5.962 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.042 7.004 -3.301 1.00 0.00 H new ATOM 174 N LEU A 15 8.924 4.471 0.219 1.00 0.00 N ATOM 175 CA LEU A 15 8.031 3.789 1.154 1.00 0.00 C ATOM 176 C LEU A 15 7.046 4.773 1.783 1.00 0.00 C ATOM 177 O LEU A 15 5.962 4.384 2.221 1.00 0.00 O ATOM 178 CB LEU A 15 8.821 3.034 2.233 1.00 0.00 C ATOM 179 CG LEU A 15 9.697 3.901 3.134 1.00 0.00 C ATOM 180 CD1 LEU A 15 8.889 4.459 4.295 1.00 0.00 C ATOM 181 CD2 LEU A 15 10.886 3.107 3.648 1.00 0.00 C ATOM 0 H LEU A 15 9.799 4.797 0.629 1.00 0.00 H new ATOM 0 HA LEU A 15 7.459 3.053 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.116 2.487 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.454 2.294 1.744 1.00 0.00 H new ATOM 0 HG LEU A 15 10.070 4.737 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.533 5.074 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.071 5.067 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.484 3.637 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.498 3.742 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.531 2.250 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.483 2.759 2.805 1.00 0.00 H new ATOM 193 N GLN A 16 7.411 6.056 1.796 1.00 0.00 N ATOM 194 CA GLN A 16 6.549 7.090 2.331 1.00 0.00 C ATOM 195 C GLN A 16 5.354 7.277 1.406 1.00 0.00 C ATOM 196 O GLN A 16 4.223 7.443 1.857 1.00 0.00 O ATOM 197 CB GLN A 16 7.319 8.407 2.482 1.00 0.00 C ATOM 198 CG GLN A 16 8.246 8.437 3.692 1.00 0.00 C ATOM 199 CD GLN A 16 7.530 8.741 4.994 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.305 8.705 5.073 1.00 0.00 O ATOM 201 NE2 GLN A 16 8.298 9.038 6.032 1.00 0.00 N ATOM 0 H GLN A 16 8.304 6.396 1.438 1.00 0.00 H new ATOM 0 HA GLN A 16 6.198 6.789 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.907 8.580 1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.606 9.228 2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.748 7.474 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.020 9.187 3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.312 9.058 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.875 9.247 6.936 1.00 0.00 H new ATOM 210 N ILE A 17 5.610 7.221 0.099 1.00 0.00 N ATOM 211 CA ILE A 17 4.548 7.367 -0.893 1.00 0.00 C ATOM 212 C ILE A 17 3.510 6.259 -0.762 1.00 0.00 C ATOM 213 O ILE A 17 2.304 6.528 -0.799 1.00 0.00 O ATOM 214 CB ILE A 17 5.113 7.385 -2.331 1.00 0.00 C ATOM 215 CG1 ILE A 17 5.997 8.618 -2.533 1.00 0.00 C ATOM 216 CG2 ILE A 17 3.983 7.360 -3.354 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.158 9.026 -3.980 1.00 0.00 C ATOM 0 H ILE A 17 6.540 7.076 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 17 4.065 8.324 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 17 5.721 6.492 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.572 9.453 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.982 8.420 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.403 7.373 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.391 6.455 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.347 8.234 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.797 9.907 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.612 8.209 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.181 9.257 -4.404 1.00 0.00 H new ATOM 229 N LEU A 18 3.975 5.023 -0.579 1.00 0.00 N ATOM 230 CA LEU A 18 3.069 3.890 -0.416 1.00 0.00 C ATOM 231 C LEU A 18 2.195 4.049 0.836 1.00 0.00 C ATOM 232 O LEU A 18 1.234 3.305 1.024 1.00 0.00 O ATOM 233 CB LEU A 18 3.855 2.573 -0.372 1.00 0.00 C ATOM 234 CG LEU A 18 4.275 2.119 1.025 1.00 0.00 C ATOM 235 CD1 LEU A 18 3.264 1.139 1.596 1.00 0.00 C ATOM 236 CD2 LEU A 18 5.660 1.495 0.995 1.00 0.00 C ATOM 0 H LEU A 18 4.966 4.784 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 18 2.405 3.865 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.248 1.789 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.749 2.680 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 18 4.308 2.996 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.581 0.828 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.288 1.619 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.197 0.266 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.939 1.179 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.655 0.630 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.381 2.227 0.632 1.00 0.00 H new ATOM 248 N LEU A 19 2.518 5.036 1.678 1.00 0.00 N ATOM 249 CA LEU A 19 1.737 5.293 2.885 1.00 0.00 C ATOM 250 C LEU A 19 1.240 6.743 2.925 1.00 0.00 C ATOM 251 O LEU A 19 0.614 7.162 3.901 1.00 0.00 O ATOM 252 CB LEU A 19 2.548 4.960 4.145 1.00 0.00 C ATOM 253 CG LEU A 19 3.871 5.709 4.291 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.661 7.053 4.971 1.00 0.00 C ATOM 255 CD2 LEU A 19 4.874 4.873 5.070 1.00 0.00 C ATOM 0 H LEU A 19 3.310 5.665 1.545 1.00 0.00 H new ATOM 0 HA LEU A 19 0.864 4.640 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.932 5.172 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.754 3.890 4.152 1.00 0.00 H new ATOM 0 HG LEU A 19 4.269 5.890 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.618 7.567 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.979 7.660 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.236 6.897 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.811 5.423 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.477 4.660 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.054 3.936 4.543 1.00 0.00 H new ATOM 267 N GLU A 20 1.513 7.502 1.860 1.00 0.00 N ATOM 268 CA GLU A 20 1.087 8.886 1.769 1.00 0.00 C ATOM 269 C GLU A 20 -0.040 9.033 0.758 1.00 0.00 C ATOM 270 O GLU A 20 -1.121 9.525 1.085 1.00 0.00 O ATOM 271 CB GLU A 20 2.267 9.769 1.372 1.00 0.00 C ATOM 272 CG GLU A 20 3.143 10.170 2.546 1.00 0.00 C ATOM 273 CD GLU A 20 3.267 11.672 2.710 1.00 0.00 C ATOM 274 OE1 GLU A 20 2.297 12.297 3.184 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.336 12.219 2.368 1.00 0.00 O ATOM 0 H GLU A 20 2.032 7.170 1.047 1.00 0.00 H new ATOM 0 HA GLU A 20 0.718 9.202 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.876 9.241 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.890 10.669 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.732 9.743 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.137 9.742 2.413 1.00 0.00 H new ATOM 282 N GLN A 21 0.208 8.579 -0.469 1.00 0.00 N ATOM 283 CA GLN A 21 -0.806 8.648 -1.517 1.00 0.00 C ATOM 284 C GLN A 21 -1.607 7.355 -1.599 1.00 0.00 C ATOM 285 O GLN A 21 -2.572 7.256 -2.362 1.00 0.00 O ATOM 286 CB GLN A 21 -0.170 8.993 -2.869 1.00 0.00 C ATOM 287 CG GLN A 21 0.540 7.822 -3.540 1.00 0.00 C ATOM 288 CD GLN A 21 0.293 7.769 -5.037 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.834 7.572 -5.485 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.349 7.946 -5.821 1.00 0.00 N ATOM 0 H GLN A 21 1.093 8.164 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.501 9.447 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.945 9.366 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.545 9.804 -2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.612 7.897 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.203 6.890 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.268 8.107 -5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.241 7.921 -6.835 1.00 0.00 H new ATOM 299 N ALA A 22 -1.231 6.382 -0.778 1.00 0.00 N ATOM 300 CA ALA A 22 -1.941 5.116 -0.731 1.00 0.00 C ATOM 301 C ALA A 22 -3.067 5.176 0.301 1.00 0.00 C ATOM 302 O ALA A 22 -3.944 4.319 0.313 1.00 0.00 O ATOM 303 CB ALA A 22 -0.990 3.973 -0.424 1.00 0.00 C ATOM 0 H ALA A 22 -0.440 6.448 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.380 4.932 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.545 3.036 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.226 3.917 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.515 4.144 0.542 1.00 0.00 H new ATOM 309 N ARG A 23 -3.051 6.206 1.155 1.00 0.00 N ATOM 310 CA ARG A 23 -4.090 6.368 2.171 1.00 0.00 C ATOM 311 C ARG A 23 -5.473 6.359 1.524 1.00 0.00 C ATOM 312 O ARG A 23 -6.276 5.461 1.766 1.00 0.00 O ATOM 313 CB ARG A 23 -3.874 7.669 2.952 1.00 0.00 C ATOM 314 CG ARG A 23 -2.540 7.732 3.684 1.00 0.00 C ATOM 315 CD ARG A 23 -2.489 6.759 4.851 1.00 0.00 C ATOM 316 NE ARG A 23 -1.151 6.710 5.450 1.00 0.00 N ATOM 317 CZ ARG A 23 -0.882 6.309 6.688 1.00 0.00 C ATOM 318 NH1 ARG A 23 -1.849 5.915 7.497 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.365 6.303 7.114 1.00 0.00 N ATOM 0 H ARG A 23 -2.335 6.933 1.161 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.028 5.531 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.940 8.511 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.681 7.786 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.732 7.507 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.373 8.746 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.217 7.056 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.773 5.764 4.509 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.366 7.007 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.816 5.916 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.628 5.610 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.117 6.605 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.578 5.996 8.063 1.00 0.00 H new ATOM 333 N ALA A 24 -5.732 7.353 0.678 1.00 0.00 N ATOM 334 CA ALA A 24 -7.010 7.451 -0.025 1.00 0.00 C ATOM 335 C ALA A 24 -7.110 6.432 -1.168 1.00 0.00 C ATOM 336 O ALA A 24 -8.177 6.264 -1.764 1.00 0.00 O ATOM 337 CB ALA A 24 -7.221 8.869 -0.539 1.00 0.00 C ATOM 0 H ALA A 24 -5.074 8.102 0.462 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.802 7.215 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.176 8.929 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.222 9.564 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.416 9.131 -1.226 1.00 0.00 H new ATOM 343 N ARG A 25 -6.002 5.748 -1.465 1.00 0.00 N ATOM 344 CA ARG A 25 -5.974 4.743 -2.515 1.00 0.00 C ATOM 345 C ARG A 25 -6.329 3.376 -1.940 1.00 0.00 C ATOM 346 O ARG A 25 -7.166 2.656 -2.479 1.00 0.00 O ATOM 347 CB ARG A 25 -4.587 4.719 -3.156 1.00 0.00 C ATOM 348 CG ARG A 25 -4.579 5.119 -4.622 1.00 0.00 C ATOM 349 CD ARG A 25 -4.415 6.624 -4.780 1.00 0.00 C ATOM 350 NE ARG A 25 -5.529 7.356 -4.162 1.00 0.00 N ATOM 351 CZ ARG A 25 -6.422 8.086 -4.825 1.00 0.00 C ATOM 352 NH1 ARG A 25 -6.318 8.273 -6.128 1.00 0.00 N ATOM 353 NH2 ARG A 25 -7.420 8.644 -4.169 1.00 0.00 N ATOM 0 H ARG A 25 -5.111 5.878 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.711 4.991 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.930 5.390 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.171 3.716 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.767 4.606 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.508 4.800 -5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.475 6.938 -4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.356 6.875 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.625 7.300 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.543 7.855 -6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.012 8.836 -6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.503 8.515 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.109 9.205 -4.670 1.00 0.00 H new ATOM 367 N ALA A 26 -5.701 3.049 -0.821 1.00 0.00 N ATOM 368 CA ALA A 26 -5.951 1.794 -0.131 1.00 0.00 C ATOM 369 C ALA A 26 -7.263 1.859 0.651 1.00 0.00 C ATOM 370 O ALA A 26 -7.883 0.831 0.909 1.00 0.00 O ATOM 371 CB ALA A 26 -4.789 1.462 0.796 1.00 0.00 C ATOM 0 H ALA A 26 -5.007 3.643 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.039 1.002 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.989 0.520 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.873 1.371 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.673 2.257 1.533 1.00 0.00 H new ATOM 377 N ALA A 27 -7.701 3.072 1.009 1.00 0.00 N ATOM 378 CA ALA A 27 -8.948 3.242 1.741 1.00 0.00 C ATOM 379 C ALA A 27 -10.122 2.687 0.945 1.00 0.00 C ATOM 380 O ALA A 27 -11.067 2.142 1.514 1.00 0.00 O ATOM 381 CB ALA A 27 -9.171 4.707 2.090 1.00 0.00 C ATOM 0 H ALA A 27 -7.209 3.941 0.802 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.877 2.679 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.108 4.812 2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.348 5.063 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.217 5.296 1.174 1.00 0.00 H new ATOM 387 N ARG A 28 -10.041 2.798 -0.378 1.00 0.00 N ATOM 388 CA ARG A 28 -11.095 2.268 -1.244 1.00 0.00 C ATOM 389 C ARG A 28 -10.883 0.782 -1.524 1.00 0.00 C ATOM 390 O ARG A 28 -11.778 0.102 -2.031 1.00 0.00 O ATOM 391 CB ARG A 28 -11.173 3.036 -2.567 1.00 0.00 C ATOM 392 CG ARG A 28 -9.830 3.276 -3.241 1.00 0.00 C ATOM 393 CD ARG A 28 -10.000 4.085 -4.511 1.00 0.00 C ATOM 394 NE ARG A 28 -10.822 5.269 -4.268 1.00 0.00 N ATOM 395 CZ ARG A 28 -11.802 5.692 -5.062 1.00 0.00 C ATOM 396 NH1 ARG A 28 -12.062 5.082 -6.202 1.00 0.00 N ATOM 397 NH2 ARG A 28 -12.517 6.742 -4.712 1.00 0.00 N ATOM 0 H ARG A 28 -9.268 3.244 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.038 2.396 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.816 2.486 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.651 3.999 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.164 3.801 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.359 2.321 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.023 4.387 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.463 3.468 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.630 5.812 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.508 4.274 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.817 5.418 -6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.318 7.226 -3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.270 7.071 -5.317 1.00 0.00 H new ATOM 411 N GLU A 29 -9.702 0.278 -1.183 1.00 0.00 N ATOM 412 CA GLU A 29 -9.383 -1.125 -1.393 1.00 0.00 C ATOM 413 C GLU A 29 -9.509 -1.909 -0.095 1.00 0.00 C ATOM 414 O GLU A 29 -9.989 -3.039 -0.091 1.00 0.00 O ATOM 415 CB GLU A 29 -7.978 -1.261 -1.970 1.00 0.00 C ATOM 416 CG GLU A 29 -7.973 -1.534 -3.467 1.00 0.00 C ATOM 417 CD GLU A 29 -7.334 -2.862 -3.819 1.00 0.00 C ATOM 418 OE1 GLU A 29 -6.090 -2.922 -3.893 1.00 0.00 O ATOM 419 OE2 GLU A 29 -8.082 -3.842 -4.017 1.00 0.00 O ATOM 0 H GLU A 29 -8.951 0.823 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.096 -1.540 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.420 -0.346 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.457 -2.070 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.998 -1.519 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.438 -0.732 -3.976 1.00 0.00 H new ATOM 426 N GLN A 30 -9.095 -1.289 1.006 1.00 0.00 N ATOM 427 CA GLN A 30 -9.172 -1.905 2.325 1.00 0.00 C ATOM 428 C GLN A 30 -10.574 -2.445 2.587 1.00 0.00 C ATOM 429 O GLN A 30 -10.739 -3.515 3.169 1.00 0.00 O ATOM 430 CB GLN A 30 -8.787 -0.885 3.397 1.00 0.00 C ATOM 431 CG GLN A 30 -7.363 -1.047 3.900 1.00 0.00 C ATOM 432 CD GLN A 30 -7.258 -0.954 5.406 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.736 -1.851 6.060 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.754 0.138 5.971 1.00 0.00 N ATOM 0 H GLN A 30 -8.698 -0.349 1.009 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.473 -2.741 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.910 0.120 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.474 -0.976 4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.975 -2.011 3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.734 -0.280 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.181 0.862 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.709 0.254 6.983 1.00 0.00 H new ATOM 443 N ALA A 31 -11.575 -1.701 2.126 1.00 0.00 N ATOM 444 CA ALA A 31 -12.973 -2.098 2.281 1.00 0.00 C ATOM 445 C ALA A 31 -13.394 -3.055 1.169 1.00 0.00 C ATOM 446 O ALA A 31 -14.153 -4.001 1.394 1.00 0.00 O ATOM 447 CB ALA A 31 -13.873 -0.869 2.304 1.00 0.00 C ATOM 0 H ALA A 31 -11.444 -0.814 1.639 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.077 -2.621 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.911 -1.180 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.591 -0.227 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.761 -0.319 1.370 1.00 0.00 H new ATOM 453 N THR A 32 -12.871 -2.806 -0.026 1.00 0.00 N ATOM 454 CA THR A 32 -13.159 -3.636 -1.193 1.00 0.00 C ATOM 455 C THR A 32 -12.548 -5.021 -1.020 1.00 0.00 C ATOM 456 O THR A 32 -13.213 -6.034 -1.234 1.00 0.00 O ATOM 457 CB THR A 32 -12.627 -2.968 -2.467 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.213 -1.690 -2.643 1.00 0.00 O ATOM 459 CG2 THR A 32 -12.897 -3.761 -3.726 1.00 0.00 C ATOM 0 H THR A 32 -12.239 -2.028 -0.214 1.00 0.00 H new ATOM 0 HA THR A 32 -14.240 -3.744 -1.287 1.00 0.00 H new ATOM 0 HB THR A 32 -11.549 -2.901 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.508 -1.021 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.493 -3.227 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.421 -4.739 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.972 -3.889 -3.852 1.00 0.00 H new ATOM 467 N THR A 33 -11.285 -5.058 -0.604 1.00 0.00 N ATOM 468 CA THR A 33 -10.595 -6.326 -0.375 1.00 0.00 C ATOM 469 C THR A 33 -11.233 -7.067 0.798 1.00 0.00 C ATOM 470 O THR A 33 -11.459 -8.273 0.725 1.00 0.00 O ATOM 471 CB THR A 33 -9.098 -6.101 -0.123 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.398 -7.331 -0.158 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.788 -5.447 1.205 1.00 0.00 C ATOM 0 H THR A 33 -10.720 -4.229 -0.419 1.00 0.00 H new ATOM 0 HA THR A 33 -10.694 -6.938 -1.272 1.00 0.00 H new ATOM 0 HB THR A 33 -8.779 -5.428 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.445 -7.170 0.003 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.710 -5.323 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.271 -4.471 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.159 -6.075 2.015 1.00 0.00 H new ATOM 481 N ASN A 34 -11.560 -6.330 1.866 1.00 0.00 N ATOM 482 CA ASN A 34 -12.204 -6.917 3.029 1.00 0.00 C ATOM 483 C ASN A 34 -13.490 -7.616 2.603 1.00 0.00 C ATOM 484 O ASN A 34 -13.697 -8.796 2.898 1.00 0.00 O ATOM 485 CB ASN A 34 -12.503 -5.829 4.060 1.00 0.00 C ATOM 486 CG ASN A 34 -11.929 -6.143 5.426 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.444 -6.989 6.150 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.852 -5.457 5.783 1.00 0.00 N ATOM 0 H ASN A 34 -11.386 -5.328 1.941 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.538 -7.651 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.096 -4.880 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.582 -5.701 4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.419 -5.624 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.457 -4.762 5.149 1.00 0.00 H new ATOM 495 N ALA A 35 -14.335 -6.887 1.869 1.00 0.00 N ATOM 496 CA ALA A 35 -15.577 -7.442 1.364 1.00 0.00 C ATOM 497 C ALA A 35 -15.286 -8.594 0.413 1.00 0.00 C ATOM 498 O ALA A 35 -15.955 -9.616 0.451 1.00 0.00 O ATOM 499 CB ALA A 35 -16.413 -6.366 0.681 1.00 0.00 C ATOM 0 H ALA A 35 -14.175 -5.912 1.616 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.155 -7.826 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.339 -6.805 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.646 -5.578 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.852 -5.944 -0.153 1.00 0.00 H new ATOM 505 N ARG A 36 -14.261 -8.428 -0.417 1.00 0.00 N ATOM 506 CA ARG A 36 -13.852 -9.458 -1.356 1.00 0.00 C ATOM 507 C ARG A 36 -13.432 -10.729 -0.615 1.00 0.00 C ATOM 508 O ARG A 36 -13.647 -11.839 -1.088 1.00 0.00 O ATOM 509 CB ARG A 36 -12.694 -8.935 -2.203 1.00 0.00 C ATOM 510 CG ARG A 36 -13.132 -8.134 -3.419 1.00 0.00 C ATOM 511 CD ARG A 36 -13.068 -8.959 -4.693 1.00 0.00 C ATOM 512 NE ARG A 36 -14.370 -9.034 -5.366 1.00 0.00 N ATOM 513 CZ ARG A 36 -14.936 -8.033 -6.030 1.00 0.00 C ATOM 514 NH1 ARG A 36 -14.350 -6.852 -6.086 1.00 0.00 N ATOM 515 NH2 ARG A 36 -16.095 -8.213 -6.636 1.00 0.00 N ATOM 0 H ARG A 36 -13.696 -7.580 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.694 -9.706 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.054 -8.310 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.089 -9.779 -2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.150 -7.775 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.496 -7.255 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.334 -8.523 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.724 -9.966 -4.456 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.876 -9.918 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.456 -6.703 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.791 -6.088 -6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.557 -9.122 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.529 -7.443 -7.146 1.00 0.00 H new ATOM 529 N ILE A 37 -12.834 -10.564 0.551 1.00 0.00 N ATOM 530 CA ILE A 37 -12.410 -11.714 1.342 1.00 0.00 C ATOM 531 C ILE A 37 -13.621 -12.514 1.819 1.00 0.00 C ATOM 532 O ILE A 37 -13.646 -13.740 1.709 1.00 0.00 O ATOM 533 CB ILE A 37 -11.547 -11.293 2.555 1.00 0.00 C ATOM 534 CG1 ILE A 37 -10.224 -10.693 2.080 1.00 0.00 C ATOM 535 CG2 ILE A 37 -11.291 -12.483 3.473 1.00 0.00 C ATOM 536 CD1 ILE A 37 -9.321 -10.236 3.206 1.00 0.00 C ATOM 0 H ILE A 37 -12.631 -9.657 0.971 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.796 -12.341 0.695 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.092 -10.537 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.695 -11.433 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.434 -9.845 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.682 -12.165 4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.242 -12.874 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.766 -13.262 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.402 -9.822 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.830 -9.472 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.080 -11.085 3.846 1.00 0.00 H new ATOM 548 N LEU A 38 -14.631 -11.814 2.336 1.00 0.00 N ATOM 549 CA LEU A 38 -15.851 -12.466 2.812 1.00 0.00 C ATOM 550 C LEU A 38 -16.890 -12.627 1.688 1.00 0.00 C ATOM 551 O LEU A 38 -17.890 -13.322 1.861 1.00 0.00 O ATOM 552 CB LEU A 38 -16.453 -11.673 3.980 1.00 0.00 C ATOM 553 CG LEU A 38 -17.075 -10.324 3.606 1.00 0.00 C ATOM 554 CD1 LEU A 38 -18.587 -10.377 3.746 1.00 0.00 C ATOM 555 CD2 LEU A 38 -16.501 -9.214 4.472 1.00 0.00 C ATOM 0 H LEU A 38 -14.629 -10.799 2.436 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.579 -13.464 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -17.217 -12.286 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.672 -11.501 4.721 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.832 -10.111 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.012 -9.410 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.987 -11.146 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.849 -10.613 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.954 -8.263 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.714 -9.423 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.422 -9.159 4.325 1.00 0.00 H new ATOM 567 N ALA A 39 -16.652 -11.981 0.540 1.00 0.00 N ATOM 568 CA ALA A 39 -17.564 -12.050 -0.595 1.00 0.00 C ATOM 569 C ALA A 39 -16.838 -11.656 -1.884 1.00 0.00 C ATOM 570 O ALA A 39 -17.184 -10.673 -2.542 1.00 0.00 O ATOM 571 CB ALA A 39 -18.773 -11.156 -0.353 1.00 0.00 C ATOM 0 H ALA A 39 -15.828 -11.402 0.378 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.916 -13.076 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.447 -11.216 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.296 -11.486 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.443 -10.125 -0.223 1.00 0.00 H new ATOM 577 N ARG A 40 -15.801 -12.422 -2.209 1.00 0.00 N ATOM 578 CA ARG A 40 -14.967 -12.175 -3.387 1.00 0.00 C ATOM 579 C ARG A 40 -15.778 -11.978 -4.669 1.00 0.00 C ATOM 580 O ARG A 40 -15.319 -11.298 -5.588 1.00 0.00 O ATOM 581 CB ARG A 40 -13.956 -13.316 -3.558 1.00 0.00 C ATOM 582 CG ARG A 40 -12.640 -12.891 -4.199 1.00 0.00 C ATOM 583 CD ARG A 40 -12.781 -12.631 -5.696 1.00 0.00 C ATOM 584 NE ARG A 40 -13.708 -13.568 -6.341 1.00 0.00 N ATOM 585 CZ ARG A 40 -13.390 -14.799 -6.725 1.00 0.00 C ATOM 586 NH1 ARG A 40 -12.171 -15.270 -6.539 1.00 0.00 N ATOM 587 NH2 ARG A 40 -14.301 -15.562 -7.298 1.00 0.00 N ATOM 0 H ARG A 40 -15.512 -13.234 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.440 -11.237 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.748 -13.752 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.408 -14.099 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.275 -11.989 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.892 -13.667 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.131 -11.611 -5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.802 -12.708 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.664 -13.252 -6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.461 -14.687 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.939 -16.217 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.246 -15.206 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.061 -16.508 -7.594 1.00 0.00 H new ATOM 601 N VAL A 41 -16.971 -12.558 -4.732 1.00 0.00 N ATOM 602 CA VAL A 41 -17.826 -12.421 -5.913 1.00 0.00 C ATOM 603 C VAL A 41 -18.210 -10.954 -6.142 1.00 0.00 C ATOM 604 O VAL A 41 -17.565 -10.302 -6.994 1.00 0.00 O ATOM 605 CB VAL A 41 -19.106 -13.282 -5.794 1.00 0.00 C ATOM 606 CG1 VAL A 41 -19.934 -13.194 -7.068 1.00 0.00 C ATOM 607 CG2 VAL A 41 -18.758 -14.732 -5.488 1.00 0.00 C ATOM 608 OXT VAL A 41 -19.139 -10.463 -5.465 1.00 0.00 O ATOM 0 H VAL A 41 -17.370 -13.126 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.251 -12.778 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 41 -19.699 -12.890 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -20.829 -13.807 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -20.222 -12.158 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -19.344 -13.555 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.674 -15.317 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.138 -15.134 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.212 -14.784 -4.546 1.00 0.00 H new TER 618 VAL A 41