USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 1 GLU N :NH3+ -162:sc= -0.0615 (180deg=-0.505) USER MOD Single : A 2 SER OG : rot 150:sc= -1.04 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 91:sc= 0.819 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0904 K(o=-0.09,f=-0.79) USER MOD Single : A 37 SER OG : rot 75:sc= 0.725 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0.0999 USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= 0.276 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.317 K(o=-0.32,f=-7.3!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 48 GLN : amide:sc= -3.32! K(o=-3.3!,f=0) USER MOD Single : A 50 THR OG1 : rot 17:sc= 0.666 USER MOD Single : A 59 THR OG1 : rot -100:sc= 0.461 USER MOD Single : A 62 SER OG : rot -129:sc= -0.863 USER MOD Single : A 63 SER OG : rot -91:sc= 1.11 USER MOD Single : A 68 SER OG : rot 86:sc= 0.393 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.365 -37.581 13.435 1.00 0.00 N ATOM 2 CA GLU A 1 -0.407 -36.489 13.100 1.00 0.00 C ATOM 3 C GLU A 1 -0.196 -36.448 11.590 1.00 0.00 C ATOM 4 O GLU A 1 -0.553 -35.471 10.931 1.00 0.00 O ATOM 5 CB GLU A 1 0.925 -36.751 13.806 1.00 0.00 C ATOM 6 CG GLU A 1 0.705 -36.776 15.320 1.00 0.00 C ATOM 7 CD GLU A 1 2.038 -36.963 16.036 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.519 -38.085 16.066 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.559 -35.984 16.542 1.00 0.00 O ATOM 0 H1 GLU A 1 -1.746 -37.428 14.391 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.145 -37.581 12.748 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.873 -38.497 13.401 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.807 -35.531 13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.344 -37.700 13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.645 -35.976 13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.236 -35.847 15.643 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.024 -37.585 15.584 1.00 0.00 H new ATOM 18 N SER A 2 0.382 -37.515 11.047 1.00 0.00 N ATOM 19 CA SER A 2 0.633 -37.588 9.612 1.00 0.00 C ATOM 20 C SER A 2 1.469 -36.397 9.150 1.00 0.00 C ATOM 21 O SER A 2 1.055 -35.641 8.272 1.00 0.00 O ATOM 22 CB SER A 2 -0.694 -37.604 8.854 1.00 0.00 C ATOM 23 OG SER A 2 -0.489 -38.158 7.561 1.00 0.00 O ATOM 0 H SER A 2 0.683 -38.335 11.574 1.00 0.00 H new ATOM 0 HA SER A 2 1.184 -38.505 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.432 -38.191 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.091 -36.592 8.770 1.00 0.00 H new ATOM 0 HG SER A 2 -1.307 -38.608 7.264 1.00 0.00 H new ATOM 29 N PRO A 3 2.630 -36.221 9.724 1.00 0.00 N ATOM 30 CA PRO A 3 3.542 -35.097 9.365 1.00 0.00 C ATOM 31 C PRO A 3 4.140 -35.263 7.971 1.00 0.00 C ATOM 32 O PRO A 3 4.548 -34.289 7.339 1.00 0.00 O ATOM 33 CB PRO A 3 4.633 -35.149 10.437 1.00 0.00 C ATOM 34 CG PRO A 3 4.625 -36.551 10.950 1.00 0.00 C ATOM 35 CD PRO A 3 3.200 -37.076 10.778 1.00 0.00 C ATOM 0 HA PRO A 3 3.017 -34.142 9.336 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.606 -34.890 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.430 -34.437 11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.334 -37.169 10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.924 -36.581 11.998 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.194 -38.126 10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.632 -36.999 11.705 1.00 0.00 H new ATOM 43 N LYS A 4 4.187 -36.505 7.497 1.00 0.00 N ATOM 44 CA LYS A 4 4.736 -36.786 6.175 1.00 0.00 C ATOM 45 C LYS A 4 3.753 -36.362 5.088 1.00 0.00 C ATOM 46 O LYS A 4 4.090 -36.345 3.905 1.00 0.00 O ATOM 47 CB LYS A 4 5.033 -38.281 6.040 1.00 0.00 C ATOM 48 CG LYS A 4 5.830 -38.764 7.256 1.00 0.00 C ATOM 49 CD LYS A 4 7.177 -38.038 7.315 1.00 0.00 C ATOM 50 CE LYS A 4 8.153 -38.846 8.173 1.00 0.00 C ATOM 51 NZ LYS A 4 9.203 -37.939 8.718 1.00 0.00 N ATOM 0 H LYS A 4 3.855 -37.326 8.004 1.00 0.00 H new ATOM 0 HA LYS A 4 5.660 -36.220 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.101 -38.840 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.597 -38.468 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.266 -38.577 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.989 -39.841 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.579 -37.911 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.047 -37.040 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.619 -39.334 8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.612 -39.634 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.867 -38.487 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.719 -37.494 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.757 -37.202 9.301 1.00 0.00 H new ATOM 65 N GLU A 5 2.535 -36.022 5.500 1.00 0.00 N ATOM 66 CA GLU A 5 1.508 -35.601 4.554 1.00 0.00 C ATOM 67 C GLU A 5 1.346 -34.084 4.576 1.00 0.00 C ATOM 68 O GLU A 5 1.737 -33.424 5.540 1.00 0.00 O ATOM 69 CB GLU A 5 0.173 -36.262 4.904 1.00 0.00 C ATOM 70 CG GLU A 5 0.329 -37.784 4.868 1.00 0.00 C ATOM 71 CD GLU A 5 0.636 -38.245 3.447 1.00 0.00 C ATOM 72 OE1 GLU A 5 0.377 -37.483 2.530 1.00 0.00 O ATOM 73 OE2 GLU A 5 1.125 -39.352 3.297 1.00 0.00 O ATOM 0 H GLU A 5 2.237 -36.030 6.475 1.00 0.00 H new ATOM 0 HA GLU A 5 1.816 -35.908 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.154 -35.943 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.596 -35.948 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.131 -38.091 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.585 -38.260 5.224 1.00 0.00 H new ATOM 80 N HIS A 6 0.767 -33.542 3.505 1.00 0.00 N ATOM 81 CA HIS A 6 0.549 -32.101 3.396 1.00 0.00 C ATOM 82 C HIS A 6 -0.924 -31.805 3.133 1.00 0.00 C ATOM 83 O HIS A 6 -1.627 -32.610 2.522 1.00 0.00 O ATOM 84 CB HIS A 6 1.397 -31.530 2.258 1.00 0.00 C ATOM 85 CG HIS A 6 2.849 -31.815 2.523 1.00 0.00 C ATOM 86 ND1 HIS A 6 3.555 -31.178 3.532 1.00 0.00 N ATOM 87 CD2 HIS A 6 3.743 -32.665 1.920 1.00 0.00 C ATOM 88 CE1 HIS A 6 4.815 -31.650 3.507 1.00 0.00 C ATOM 89 NE2 HIS A 6 4.983 -32.559 2.543 1.00 0.00 N ATOM 0 H HIS A 6 0.441 -34.079 2.701 1.00 0.00 H new ATOM 0 HA HIS A 6 0.842 -31.633 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.096 -31.973 1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.236 -30.455 2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 6 3.518 -33.317 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.595 -31.333 4.184 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.837 -33.067 2.313 1.00 0.00 H new ATOM 98 N ASP A 7 -1.382 -30.646 3.596 1.00 0.00 N ATOM 99 CA ASP A 7 -2.773 -30.250 3.408 1.00 0.00 C ATOM 100 C ASP A 7 -2.859 -28.785 2.978 1.00 0.00 C ATOM 101 O ASP A 7 -1.909 -28.023 3.160 1.00 0.00 O ATOM 102 CB ASP A 7 -3.547 -30.448 4.713 1.00 0.00 C ATOM 103 CG ASP A 7 -4.524 -31.611 4.572 1.00 0.00 C ATOM 104 OD1 ASP A 7 -4.080 -32.693 4.225 1.00 0.00 O ATOM 105 OD2 ASP A 7 -5.701 -31.402 4.814 1.00 0.00 O ATOM 0 H ASP A 7 -0.813 -29.967 4.102 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.210 -30.871 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.853 -30.643 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.089 -29.536 4.965 1.00 0.00 H new ATOM 110 N PRO A 8 -3.972 -28.379 2.418 1.00 0.00 N ATOM 111 CA PRO A 8 -4.170 -26.972 1.960 1.00 0.00 C ATOM 112 C PRO A 8 -4.280 -25.995 3.129 1.00 0.00 C ATOM 113 O PRO A 8 -3.998 -24.805 2.984 1.00 0.00 O ATOM 114 CB PRO A 8 -5.479 -27.023 1.168 1.00 0.00 C ATOM 115 CG PRO A 8 -6.215 -28.211 1.692 1.00 0.00 C ATOM 116 CD PRO A 8 -5.159 -29.210 2.158 1.00 0.00 C ATOM 0 HA PRO A 8 -3.326 -26.615 1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.058 -26.110 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.288 -27.120 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.870 -27.928 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.846 -28.648 0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.479 -29.740 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.959 -29.964 1.397 1.00 0.00 H new ATOM 124 N PHE A 9 -4.691 -26.505 4.286 1.00 0.00 N ATOM 125 CA PHE A 9 -4.833 -25.667 5.471 1.00 0.00 C ATOM 126 C PHE A 9 -3.546 -24.893 5.740 1.00 0.00 C ATOM 127 O PHE A 9 -3.574 -23.798 6.302 1.00 0.00 O ATOM 128 CB PHE A 9 -5.174 -26.531 6.688 1.00 0.00 C ATOM 129 CG PHE A 9 -6.615 -26.979 6.605 1.00 0.00 C ATOM 130 CD1 PHE A 9 -7.645 -26.085 6.920 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.919 -28.289 6.217 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.980 -26.500 6.846 1.00 0.00 C ATOM 133 CE2 PHE A 9 -8.254 -28.705 6.142 1.00 0.00 C ATOM 134 CZ PHE A 9 -9.284 -27.811 6.458 1.00 0.00 C ATOM 0 H PHE A 9 -4.930 -27.486 4.428 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.640 -24.957 5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.515 -27.398 6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.011 -25.965 7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.410 -25.075 7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.124 -28.979 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.775 -25.810 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.489 -29.715 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.314 -28.132 6.403 1.00 0.00 H new ATOM 144 N THR A 10 -2.419 -25.471 5.338 1.00 0.00 N ATOM 145 CA THR A 10 -1.126 -24.827 5.546 1.00 0.00 C ATOM 146 C THR A 10 -1.139 -23.404 4.994 1.00 0.00 C ATOM 147 O THR A 10 -0.585 -22.488 5.606 1.00 0.00 O ATOM 148 CB THR A 10 -0.024 -25.636 4.856 1.00 0.00 C ATOM 149 OG1 THR A 10 -0.163 -27.008 5.200 1.00 0.00 O ATOM 150 CG2 THR A 10 1.346 -25.132 5.313 1.00 0.00 C ATOM 0 H THR A 10 -2.374 -26.376 4.870 1.00 0.00 H new ATOM 0 HA THR A 10 -0.930 -24.785 6.617 1.00 0.00 H new ATOM 0 HB THR A 10 -0.109 -25.519 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.739 -27.453 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.129 -25.709 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.452 -24.079 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.435 -25.248 6.393 1.00 0.00 H new ATOM 158 N TYR A 11 -1.772 -23.223 3.839 1.00 0.00 N ATOM 159 CA TYR A 11 -1.848 -21.906 3.217 1.00 0.00 C ATOM 160 C TYR A 11 -3.248 -21.646 2.668 1.00 0.00 C ATOM 161 O TYR A 11 -3.825 -22.489 1.982 1.00 0.00 O ATOM 162 CB TYR A 11 -0.823 -21.804 2.084 1.00 0.00 C ATOM 163 CG TYR A 11 0.564 -22.020 2.642 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.188 -21.007 3.379 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.224 -23.235 2.425 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.471 -21.209 3.900 1.00 0.00 C ATOM 167 CE2 TYR A 11 2.508 -23.437 2.945 1.00 0.00 C ATOM 168 CZ TYR A 11 3.132 -22.424 3.682 1.00 0.00 C ATOM 169 OH TYR A 11 4.398 -22.623 4.195 1.00 0.00 O ATOM 0 H TYR A 11 -2.237 -23.966 3.318 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.627 -21.155 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.038 -22.547 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.887 -20.826 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.679 -20.069 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.743 -24.017 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.951 -20.428 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.017 -24.375 2.777 1.00 0.00 H new ATOM 0 HH TYR A 11 4.712 -23.519 3.953 1.00 0.00 H new ATOM 179 N ASP A 12 -3.787 -20.469 2.975 1.00 0.00 N ATOM 180 CA ASP A 12 -5.119 -20.100 2.508 1.00 0.00 C ATOM 181 C ASP A 12 -5.269 -18.581 2.475 1.00 0.00 C ATOM 182 O ASP A 12 -6.261 -18.055 1.972 1.00 0.00 O ATOM 183 CB ASP A 12 -6.182 -20.704 3.429 1.00 0.00 C ATOM 184 CG ASP A 12 -6.273 -22.208 3.201 1.00 0.00 C ATOM 185 OD1 ASP A 12 -6.192 -22.619 2.055 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.423 -22.927 4.175 1.00 0.00 O ATOM 0 H ASP A 12 -3.324 -19.758 3.542 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.254 -20.489 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.932 -20.500 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.149 -20.239 3.236 1.00 0.00 H new ATOM 191 N TYR A 13 -4.274 -17.884 3.017 1.00 0.00 N ATOM 192 CA TYR A 13 -4.299 -16.426 3.049 1.00 0.00 C ATOM 193 C TYR A 13 -3.887 -15.852 1.698 1.00 0.00 C ATOM 194 O TYR A 13 -3.312 -14.768 1.626 1.00 0.00 O ATOM 195 CB TYR A 13 -3.346 -15.913 4.130 1.00 0.00 C ATOM 196 CG TYR A 13 -3.846 -16.346 5.487 1.00 0.00 C ATOM 197 CD1 TYR A 13 -3.747 -17.687 5.874 1.00 0.00 C ATOM 198 CD2 TYR A 13 -4.411 -15.406 6.358 1.00 0.00 C ATOM 199 CE1 TYR A 13 -4.210 -18.089 7.131 1.00 0.00 C ATOM 200 CE2 TYR A 13 -4.874 -15.808 7.616 1.00 0.00 C ATOM 201 CZ TYR A 13 -4.775 -17.151 8.003 1.00 0.00 C ATOM 202 OH TYR A 13 -5.231 -17.550 9.243 1.00 0.00 O ATOM 0 H TYR A 13 -3.445 -18.303 3.438 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.316 -16.105 3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.342 -16.302 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.279 -14.826 4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.313 -18.412 5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.489 -14.371 6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.132 -19.124 7.429 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.308 -15.083 8.289 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.592 -16.776 9.723 1.00 0.00 H new ATOM 212 N GLN A 14 -4.180 -16.588 0.633 1.00 0.00 N ATOM 213 CA GLN A 14 -3.823 -16.150 -0.712 1.00 0.00 C ATOM 214 C GLN A 14 -4.301 -14.724 -0.978 1.00 0.00 C ATOM 215 O GLN A 14 -3.527 -13.875 -1.413 1.00 0.00 O ATOM 216 CB GLN A 14 -4.449 -17.093 -1.741 1.00 0.00 C ATOM 217 CG GLN A 14 -3.918 -18.510 -1.524 1.00 0.00 C ATOM 218 CD GLN A 14 -4.518 -19.457 -2.560 1.00 0.00 C ATOM 219 OE1 GLN A 14 -4.143 -20.627 -2.622 1.00 0.00 O ATOM 220 NE2 GLN A 14 -5.432 -19.017 -3.383 1.00 0.00 N ATOM 0 H GLN A 14 -4.661 -17.486 0.673 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.736 -16.169 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.535 -17.082 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.213 -16.755 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.831 -18.515 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.168 -18.851 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.742 -18.047 -3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.836 -19.644 -4.079 1.00 0.00 H new ATOM 229 N SER A 15 -5.580 -14.468 -0.726 1.00 0.00 N ATOM 230 CA SER A 15 -6.138 -13.138 -0.958 1.00 0.00 C ATOM 231 C SER A 15 -5.815 -12.183 0.190 1.00 0.00 C ATOM 232 O SER A 15 -5.614 -10.987 -0.028 1.00 0.00 O ATOM 233 CB SER A 15 -7.654 -13.238 -1.128 1.00 0.00 C ATOM 234 OG SER A 15 -8.244 -13.611 0.110 1.00 0.00 O ATOM 0 H SER A 15 -6.244 -15.153 -0.366 1.00 0.00 H new ATOM 0 HA SER A 15 -5.685 -12.739 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.057 -12.282 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.897 -13.973 -1.895 1.00 0.00 H new ATOM 0 HG SER A 15 -9.216 -13.674 0.003 1.00 0.00 H new ATOM 240 N LEU A 16 -5.779 -12.707 1.409 1.00 0.00 N ATOM 241 CA LEU A 16 -5.495 -11.876 2.577 1.00 0.00 C ATOM 242 C LEU A 16 -3.996 -11.621 2.731 1.00 0.00 C ATOM 243 O LEU A 16 -3.573 -10.901 3.634 1.00 0.00 O ATOM 244 CB LEU A 16 -6.032 -12.547 3.845 1.00 0.00 C ATOM 245 CG LEU A 16 -7.034 -11.616 4.533 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.265 -11.435 3.642 1.00 0.00 C ATOM 247 CD2 LEU A 16 -7.460 -12.228 5.869 1.00 0.00 C ATOM 0 H LEU A 16 -5.941 -13.693 1.616 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.993 -10.917 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.512 -13.492 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.210 -12.778 4.523 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.567 -10.646 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.976 -10.772 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.964 -11.000 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.733 -12.404 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.174 -11.567 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.925 -13.198 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.585 -12.356 6.506 1.00 0.00 H new ATOM 259 N GLN A 17 -3.194 -12.222 1.860 1.00 0.00 N ATOM 260 CA GLN A 17 -1.746 -12.049 1.930 1.00 0.00 C ATOM 261 C GLN A 17 -1.331 -10.654 1.464 1.00 0.00 C ATOM 262 O GLN A 17 -0.502 -10.001 2.096 1.00 0.00 O ATOM 263 CB GLN A 17 -1.051 -13.103 1.062 1.00 0.00 C ATOM 264 CG GLN A 17 -0.486 -14.216 1.948 1.00 0.00 C ATOM 265 CD GLN A 17 0.771 -13.727 2.660 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.613 -13.069 2.052 1.00 0.00 O ATOM 267 NE2 GLN A 17 0.948 -14.014 3.921 1.00 0.00 N ATOM 0 H GLN A 17 -3.516 -12.827 1.105 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.444 -12.169 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.758 -13.520 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.249 -12.641 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.232 -14.524 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.254 -15.092 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.248 -14.560 4.423 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.787 -13.692 4.404 1.00 0.00 H new ATOM 276 N ILE A 18 -1.897 -10.211 0.344 1.00 0.00 N ATOM 277 CA ILE A 18 -1.559 -8.899 -0.207 1.00 0.00 C ATOM 278 C ILE A 18 -2.589 -7.845 0.199 1.00 0.00 C ATOM 279 O ILE A 18 -2.320 -6.646 0.137 1.00 0.00 O ATOM 280 CB ILE A 18 -1.496 -8.983 -1.735 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.732 -10.245 -2.157 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.789 -7.750 -2.302 1.00 0.00 C ATOM 283 CD1 ILE A 18 0.623 -10.310 -1.442 1.00 0.00 C ATOM 0 H ILE A 18 -2.586 -10.735 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.589 -8.604 0.192 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.513 -9.025 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.320 -11.131 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.582 -10.244 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.750 -7.821 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.337 -6.852 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.225 -7.697 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.154 -11.210 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.214 -9.432 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.465 -10.334 -0.364 1.00 0.00 H new ATOM 295 N GLY A 19 -3.768 -8.293 0.607 1.00 0.00 N ATOM 296 CA GLY A 19 -4.827 -7.369 1.005 1.00 0.00 C ATOM 297 C GLY A 19 -4.289 -6.239 1.883 1.00 0.00 C ATOM 298 O GLY A 19 -3.831 -5.215 1.377 1.00 0.00 O ATOM 0 H GLY A 19 -4.017 -9.280 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.296 -6.948 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.601 -7.913 1.546 1.00 0.00 H new ATOM 302 N GLY A 20 -4.370 -6.441 3.197 1.00 0.00 N ATOM 303 CA GLY A 20 -3.914 -5.449 4.172 1.00 0.00 C ATOM 304 C GLY A 20 -2.715 -4.648 3.671 1.00 0.00 C ATOM 305 O GLY A 20 -2.550 -3.478 4.021 1.00 0.00 O ATOM 0 H GLY A 20 -4.751 -7.290 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.733 -4.767 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.648 -5.953 5.101 1.00 0.00 H new ATOM 309 N LEU A 21 -1.874 -5.282 2.864 1.00 0.00 N ATOM 310 CA LEU A 21 -0.688 -4.616 2.340 1.00 0.00 C ATOM 311 C LEU A 21 -1.046 -3.549 1.304 1.00 0.00 C ATOM 312 O LEU A 21 -0.577 -2.412 1.389 1.00 0.00 O ATOM 313 CB LEU A 21 0.252 -5.649 1.709 1.00 0.00 C ATOM 314 CG LEU A 21 1.283 -6.106 2.744 1.00 0.00 C ATOM 315 CD1 LEU A 21 0.566 -6.689 3.963 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.186 -7.176 2.124 1.00 0.00 C ATOM 0 H LEU A 21 -1.989 -6.249 2.560 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.191 -4.120 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.320 -6.504 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.756 -5.216 0.845 1.00 0.00 H new ATOM 0 HG LEU A 21 1.886 -5.253 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.303 -7.013 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.077 -5.928 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.040 -7.542 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.921 -7.503 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.581 -8.027 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.700 -6.761 1.257 1.00 0.00 H new ATOM 328 N VAL A 22 -1.857 -3.919 0.314 1.00 0.00 N ATOM 329 CA VAL A 22 -2.224 -2.973 -0.736 1.00 0.00 C ATOM 330 C VAL A 22 -3.089 -1.834 -0.204 1.00 0.00 C ATOM 331 O VAL A 22 -2.788 -0.666 -0.441 1.00 0.00 O ATOM 332 CB VAL A 22 -2.984 -3.694 -1.850 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.742 -2.667 -2.697 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.992 -4.446 -2.736 1.00 0.00 C ATOM 0 H VAL A 22 -2.265 -4.849 0.218 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.298 -2.548 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.691 -4.399 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.284 -3.180 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.448 -2.126 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.034 -1.964 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.532 -4.961 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.287 -3.739 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.448 -5.175 -2.136 1.00 0.00 H new ATOM 344 N ILE A 23 -4.155 -2.169 0.516 1.00 0.00 N ATOM 345 CA ILE A 23 -5.041 -1.139 1.056 1.00 0.00 C ATOM 346 C ILE A 23 -4.272 -0.198 1.975 1.00 0.00 C ATOM 347 O ILE A 23 -4.490 1.015 1.962 1.00 0.00 O ATOM 348 CB ILE A 23 -6.204 -1.778 1.818 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.661 -2.647 2.951 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.027 -2.649 0.867 1.00 0.00 C ATOM 351 CD1 ILE A 23 -6.812 -3.427 3.588 1.00 0.00 C ATOM 0 H ILE A 23 -4.425 -3.127 0.737 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.441 -0.564 0.221 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.835 -0.991 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.908 -3.336 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.171 -2.024 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.854 -3.102 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.420 -2.033 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.394 -3.433 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.427 -4.048 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.549 -2.729 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.282 -4.061 2.836 1.00 0.00 H new ATOM 363 N ALA A 24 -3.367 -0.761 2.766 1.00 0.00 N ATOM 364 CA ALA A 24 -2.569 0.043 3.677 1.00 0.00 C ATOM 365 C ALA A 24 -1.749 1.059 2.891 1.00 0.00 C ATOM 366 O ALA A 24 -1.560 2.201 3.323 1.00 0.00 O ATOM 367 CB ALA A 24 -1.633 -0.864 4.482 1.00 0.00 C ATOM 0 H ALA A 24 -3.170 -1.761 2.794 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.233 0.573 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.036 -0.258 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.223 -1.580 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.972 -1.401 3.801 1.00 0.00 H new ATOM 373 N GLY A 25 -1.263 0.631 1.730 1.00 0.00 N ATOM 374 CA GLY A 25 -0.460 1.497 0.879 1.00 0.00 C ATOM 375 C GLY A 25 -1.260 2.694 0.380 1.00 0.00 C ATOM 376 O GLY A 25 -0.738 3.802 0.319 1.00 0.00 O ATOM 0 H GLY A 25 -1.412 -0.308 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.411 1.847 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.088 0.927 0.028 1.00 0.00 H new ATOM 380 N ILE A 26 -2.520 2.471 0.011 1.00 0.00 N ATOM 381 CA ILE A 26 -3.355 3.562 -0.495 1.00 0.00 C ATOM 382 C ILE A 26 -3.581 4.624 0.577 1.00 0.00 C ATOM 383 O ILE A 26 -3.556 5.819 0.286 1.00 0.00 O ATOM 384 CB ILE A 26 -4.717 3.036 -0.969 1.00 0.00 C ATOM 385 CG1 ILE A 26 -4.542 1.781 -1.831 1.00 0.00 C ATOM 386 CG2 ILE A 26 -5.419 4.115 -1.795 1.00 0.00 C ATOM 387 CD1 ILE A 26 -3.412 1.982 -2.844 1.00 0.00 C ATOM 0 H ILE A 26 -2.980 1.562 0.051 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.825 4.008 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.315 2.783 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.321 0.924 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.472 1.559 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.386 3.743 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.566 5.004 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.806 4.368 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.301 1.082 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.649 2.826 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.480 2.181 -2.315 1.00 0.00 H new ATOM 399 N LEU A 27 -3.824 4.192 1.809 1.00 0.00 N ATOM 400 CA LEU A 27 -4.072 5.141 2.892 1.00 0.00 C ATOM 401 C LEU A 27 -2.861 6.055 3.117 1.00 0.00 C ATOM 402 O LEU A 27 -3.000 7.275 3.199 1.00 0.00 O ATOM 403 CB LEU A 27 -4.384 4.368 4.180 1.00 0.00 C ATOM 404 CG LEU A 27 -4.893 5.329 5.265 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.249 5.930 4.866 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.050 4.562 6.580 1.00 0.00 C ATOM 0 H LEU A 27 -3.855 3.210 2.082 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.921 5.767 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.134 3.603 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.489 3.854 4.530 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.173 6.139 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.591 6.607 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.142 6.480 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.977 5.130 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.411 5.238 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.765 3.750 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.086 4.150 6.878 1.00 0.00 H new ATOM 418 N PHE A 28 -1.680 5.454 3.210 1.00 0.00 N ATOM 419 CA PHE A 28 -0.443 6.205 3.417 1.00 0.00 C ATOM 420 C PHE A 28 -0.039 6.977 2.161 1.00 0.00 C ATOM 421 O PHE A 28 0.476 8.086 2.248 1.00 0.00 O ATOM 422 CB PHE A 28 0.684 5.254 3.825 1.00 0.00 C ATOM 423 CG PHE A 28 0.625 5.017 5.317 1.00 0.00 C ATOM 424 CD1 PHE A 28 1.139 5.976 6.198 1.00 0.00 C ATOM 425 CD2 PHE A 28 0.053 3.840 5.820 1.00 0.00 C ATOM 426 CE1 PHE A 28 1.084 5.759 7.581 1.00 0.00 C ATOM 427 CE2 PHE A 28 -0.001 3.624 7.203 1.00 0.00 C ATOM 428 CZ PHE A 28 0.514 4.584 8.083 1.00 0.00 C ATOM 0 H PHE A 28 -1.551 4.444 3.145 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.620 6.927 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.588 4.308 3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.650 5.678 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.578 6.884 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.346 3.100 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.482 6.499 8.260 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.440 2.717 7.591 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.471 4.417 9.149 1.00 0.00 H new ATOM 438 N ILE A 29 -0.273 6.383 0.994 1.00 0.00 N ATOM 439 CA ILE A 29 0.073 7.030 -0.271 1.00 0.00 C ATOM 440 C ILE A 29 -0.816 8.243 -0.480 1.00 0.00 C ATOM 441 O ILE A 29 -0.347 9.327 -0.822 1.00 0.00 O ATOM 442 CB ILE A 29 -0.102 6.055 -1.437 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.100 5.107 -1.486 1.00 0.00 C ATOM 444 CG2 ILE A 29 -0.194 6.838 -2.747 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.808 3.954 -2.447 1.00 0.00 C ATOM 0 H ILE A 29 -0.698 5.461 0.896 1.00 0.00 H new ATOM 0 HA ILE A 29 1.116 7.343 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.016 5.477 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.989 5.648 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.310 4.718 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.319 6.144 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.048 7.514 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.719 7.415 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.665 3.281 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.070 3.407 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.620 4.351 -3.445 1.00 0.00 H new ATOM 457 N LEU A 30 -2.096 8.056 -0.201 1.00 0.00 N ATOM 458 CA LEU A 30 -3.050 9.124 -0.277 1.00 0.00 C ATOM 459 C LEU A 30 -2.641 10.100 0.787 1.00 0.00 C ATOM 460 O LEU A 30 -2.775 11.312 0.650 1.00 0.00 O ATOM 461 CB LEU A 30 -4.464 8.593 -0.016 1.00 0.00 C ATOM 462 CG LEU A 30 -5.500 9.657 -0.380 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.892 9.509 -1.854 1.00 0.00 C ATOM 464 CD2 LEU A 30 -6.739 9.470 0.500 1.00 0.00 C ATOM 0 H LEU A 30 -2.491 7.159 0.082 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.066 9.590 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.636 7.691 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.569 8.316 1.033 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.080 10.650 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.631 10.268 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.008 9.635 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.316 8.519 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.483 10.225 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.158 8.478 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.460 9.574 1.548 1.00 0.00 H new ATOM 476 N GLY A 31 -2.136 9.515 1.868 1.00 0.00 N ATOM 477 CA GLY A 31 -1.684 10.303 3.013 1.00 0.00 C ATOM 478 C GLY A 31 -0.556 11.267 2.630 1.00 0.00 C ATOM 479 O GLY A 31 -0.633 12.464 2.906 1.00 0.00 O ATOM 0 H GLY A 31 -2.029 8.506 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.523 10.868 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.339 9.634 3.801 1.00 0.00 H new ATOM 483 N ILE A 32 0.494 10.741 2.001 1.00 0.00 N ATOM 484 CA ILE A 32 1.628 11.573 1.602 1.00 0.00 C ATOM 485 C ILE A 32 1.200 12.623 0.584 1.00 0.00 C ATOM 486 O ILE A 32 1.570 13.792 0.694 1.00 0.00 O ATOM 487 CB ILE A 32 2.727 10.702 0.988 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.284 9.751 2.050 1.00 0.00 C ATOM 489 CG2 ILE A 32 3.860 11.593 0.467 1.00 0.00 C ATOM 490 CD1 ILE A 32 4.109 8.655 1.372 1.00 0.00 C ATOM 0 H ILE A 32 0.583 9.754 1.759 1.00 0.00 H new ATOM 0 HA ILE A 32 2.007 12.075 2.492 1.00 0.00 H new ATOM 0 HB ILE A 32 2.307 10.125 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.903 10.302 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.468 9.307 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.641 10.970 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.470 12.271 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.276 12.172 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.506 7.978 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.476 8.097 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.934 9.108 0.822 1.00 0.00 H new ATOM 502 N LEU A 33 0.414 12.203 -0.402 1.00 0.00 N ATOM 503 CA LEU A 33 -0.057 13.126 -1.424 1.00 0.00 C ATOM 504 C LEU A 33 -0.922 14.196 -0.783 1.00 0.00 C ATOM 505 O LEU A 33 -0.784 15.382 -1.074 1.00 0.00 O ATOM 506 CB LEU A 33 -0.867 12.370 -2.483 1.00 0.00 C ATOM 507 CG LEU A 33 0.040 11.386 -3.236 1.00 0.00 C ATOM 508 CD1 LEU A 33 -0.803 10.557 -4.206 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.114 12.143 -4.029 1.00 0.00 C ATOM 0 H LEU A 33 0.094 11.241 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 33 0.802 13.594 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.687 11.831 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.313 13.076 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 33 0.526 10.735 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.160 9.858 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.558 10.002 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.293 11.219 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.747 11.430 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.635 12.805 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.724 12.733 -3.344 1.00 0.00 H new ATOM 521 N ILE A 34 -1.812 13.760 0.093 1.00 0.00 N ATOM 522 CA ILE A 34 -2.710 14.683 0.786 1.00 0.00 C ATOM 523 C ILE A 34 -1.929 15.700 1.620 1.00 0.00 C ATOM 524 O ILE A 34 -2.240 16.891 1.607 1.00 0.00 O ATOM 525 CB ILE A 34 -3.668 13.908 1.699 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.835 13.372 0.865 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.210 14.835 2.794 1.00 0.00 C ATOM 528 CD1 ILE A 34 -5.630 12.357 1.686 1.00 0.00 C ATOM 0 H ILE A 34 -1.936 12.779 0.344 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.279 15.220 0.027 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.133 13.080 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.483 14.193 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.460 12.904 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.890 14.278 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.381 15.220 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.745 15.666 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.460 11.977 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.980 11.530 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.018 12.839 2.583 1.00 0.00 H new ATOM 540 N VAL A 35 -0.927 15.229 2.357 1.00 0.00 N ATOM 541 CA VAL A 35 -0.136 16.121 3.199 1.00 0.00 C ATOM 542 C VAL A 35 0.479 17.246 2.370 1.00 0.00 C ATOM 543 O VAL A 35 0.332 18.422 2.702 1.00 0.00 O ATOM 544 CB VAL A 35 0.974 15.338 3.897 1.00 0.00 C ATOM 545 CG1 VAL A 35 1.831 16.300 4.721 1.00 0.00 C ATOM 546 CG2 VAL A 35 0.356 14.288 4.824 1.00 0.00 C ATOM 0 H VAL A 35 -0.646 14.249 2.389 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.799 16.557 3.946 1.00 0.00 H new ATOM 0 HB VAL A 35 1.594 14.842 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.624 15.744 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.272 17.049 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.209 16.794 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.149 13.730 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.264 14.783 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.258 13.603 4.239 1.00 0.00 H new ATOM 556 N LEU A 36 1.164 16.880 1.293 1.00 0.00 N ATOM 557 CA LEU A 36 1.791 17.872 0.425 1.00 0.00 C ATOM 558 C LEU A 36 0.735 18.728 -0.268 1.00 0.00 C ATOM 559 O LEU A 36 0.955 19.909 -0.534 1.00 0.00 O ATOM 560 CB LEU A 36 2.653 17.172 -0.629 1.00 0.00 C ATOM 561 CG LEU A 36 4.064 16.949 -0.077 1.00 0.00 C ATOM 562 CD1 LEU A 36 3.981 16.189 1.249 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.880 16.128 -1.079 1.00 0.00 C ATOM 0 H LEU A 36 1.299 15.912 1.001 1.00 0.00 H new ATOM 0 HA LEU A 36 2.418 18.518 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.205 16.217 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.698 17.776 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 36 4.545 17.914 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.986 16.031 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.399 16.769 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.499 15.225 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.884 15.969 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.396 15.164 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.941 16.665 -2.025 1.00 0.00 H new ATOM 575 N SER A 37 -0.408 18.120 -0.567 1.00 0.00 N ATOM 576 CA SER A 37 -1.493 18.826 -1.242 1.00 0.00 C ATOM 577 C SER A 37 -1.996 20.003 -0.407 1.00 0.00 C ATOM 578 O SER A 37 -2.368 21.043 -0.950 1.00 0.00 O ATOM 579 CB SER A 37 -2.648 17.861 -1.508 1.00 0.00 C ATOM 580 OG SER A 37 -2.194 16.799 -2.338 1.00 0.00 O ATOM 0 H SER A 37 -0.608 17.143 -0.354 1.00 0.00 H new ATOM 0 HA SER A 37 -1.107 19.215 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.029 17.464 -0.567 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.472 18.387 -1.990 1.00 0.00 H new ATOM 0 HG SER A 37 -1.646 16.182 -1.809 1.00 0.00 H new ATOM 586 N ARG A 38 -2.016 19.832 0.910 1.00 0.00 N ATOM 587 CA ARG A 38 -2.491 20.890 1.800 1.00 0.00 C ATOM 588 C ARG A 38 -1.683 22.170 1.604 1.00 0.00 C ATOM 589 O ARG A 38 -2.235 23.270 1.619 1.00 0.00 O ATOM 590 CB ARG A 38 -2.367 20.434 3.263 1.00 0.00 C ATOM 591 CG ARG A 38 -3.747 20.142 3.874 1.00 0.00 C ATOM 592 CD ARG A 38 -4.346 18.889 3.230 1.00 0.00 C ATOM 593 NE ARG A 38 -5.764 18.782 3.558 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.165 18.518 4.797 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.286 18.344 5.745 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.440 18.428 5.065 1.00 0.00 N ATOM 0 H ARG A 38 -1.713 18.981 1.383 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.535 21.093 1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.746 19.540 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.864 21.206 3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.655 20.000 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.410 20.993 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.218 18.931 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.817 18.003 3.580 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.459 18.912 2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.290 18.411 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.595 18.141 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.128 18.560 4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.748 18.225 6.016 1.00 0.00 H new ATOM 610 N ARG A 39 -0.375 22.022 1.429 1.00 0.00 N ATOM 611 CA ARG A 39 0.498 23.178 1.241 1.00 0.00 C ATOM 612 C ARG A 39 0.075 23.992 0.021 1.00 0.00 C ATOM 613 O ARG A 39 0.257 25.209 -0.017 1.00 0.00 O ATOM 614 CB ARG A 39 1.945 22.714 1.062 1.00 0.00 C ATOM 615 CG ARG A 39 2.895 23.883 1.334 1.00 0.00 C ATOM 616 CD ARG A 39 4.310 23.506 0.890 1.00 0.00 C ATOM 617 NE ARG A 39 5.231 24.608 1.142 1.00 0.00 N ATOM 618 CZ ARG A 39 6.538 24.396 1.263 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.012 23.183 1.176 1.00 0.00 N ATOM 620 NH2 ARG A 39 7.346 25.401 1.469 1.00 0.00 N ATOM 0 H ARG A 39 0.103 21.121 1.413 1.00 0.00 H new ATOM 0 HA ARG A 39 0.418 23.809 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.161 21.891 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.095 22.338 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.559 24.771 0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.889 24.130 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.642 22.617 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.311 23.258 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 39 4.867 25.557 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.380 22.399 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.015 23.019 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.974 26.348 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.349 25.239 1.562 1.00 0.00 H new ATOM 634 N CYS A 40 -0.477 23.314 -0.979 1.00 0.00 N ATOM 635 CA CYS A 40 -0.906 23.987 -2.201 1.00 0.00 C ATOM 636 C CYS A 40 -1.937 25.075 -1.905 1.00 0.00 C ATOM 637 O CYS A 40 -1.847 26.184 -2.432 1.00 0.00 O ATOM 638 CB CYS A 40 -1.508 22.971 -3.174 1.00 0.00 C ATOM 639 SG CYS A 40 -1.435 23.631 -4.859 1.00 0.00 S ATOM 0 H CYS A 40 -0.637 22.307 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.029 24.455 -2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.962 22.029 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.541 22.757 -2.900 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.945 22.767 -5.686 1.00 0.00 H new ATOM 645 N ARG A 41 -2.919 24.749 -1.071 1.00 0.00 N ATOM 646 CA ARG A 41 -3.966 25.708 -0.728 1.00 0.00 C ATOM 647 C ARG A 41 -3.366 26.987 -0.152 1.00 0.00 C ATOM 648 O ARG A 41 -3.831 28.090 -0.448 1.00 0.00 O ATOM 649 CB ARG A 41 -4.930 25.092 0.289 1.00 0.00 C ATOM 650 CG ARG A 41 -6.126 26.027 0.497 1.00 0.00 C ATOM 651 CD ARG A 41 -7.075 25.422 1.532 1.00 0.00 C ATOM 652 NE ARG A 41 -6.584 25.679 2.881 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.854 26.822 3.506 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.571 27.737 2.912 1.00 0.00 N ATOM 655 NH2 ARG A 41 -6.403 27.028 4.712 1.00 0.00 N ATOM 0 H ARG A 41 -3.013 23.837 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.509 25.957 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.273 24.119 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.417 24.925 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.782 27.005 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.650 26.179 -0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.072 25.847 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.165 24.348 1.369 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.024 24.970 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.924 27.576 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.778 28.613 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.843 26.313 5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.610 27.904 5.191 1.00 0.00 H new ATOM 669 N CYS A 42 -2.341 26.836 0.676 1.00 0.00 N ATOM 670 CA CYS A 42 -1.697 27.987 1.295 1.00 0.00 C ATOM 671 C CYS A 42 -0.770 28.697 0.308 1.00 0.00 C ATOM 672 O CYS A 42 -0.803 29.921 0.181 1.00 0.00 O ATOM 673 CB CYS A 42 -0.898 27.532 2.519 1.00 0.00 C ATOM 674 SG CYS A 42 -1.505 25.914 3.061 1.00 0.00 S ATOM 0 H CYS A 42 -1.940 25.934 0.933 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.472 28.690 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.162 27.472 2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.998 28.260 3.324 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.828 25.522 4.099 1.00 0.00 H new ATOM 680 N LYS A 43 0.060 27.920 -0.382 1.00 0.00 N ATOM 681 CA LYS A 43 1.003 28.484 -1.348 1.00 0.00 C ATOM 682 C LYS A 43 0.283 29.226 -2.470 1.00 0.00 C ATOM 683 O LYS A 43 0.784 30.226 -2.984 1.00 0.00 O ATOM 684 CB LYS A 43 1.849 27.366 -1.962 1.00 0.00 C ATOM 685 CG LYS A 43 3.071 27.097 -1.081 1.00 0.00 C ATOM 686 CD LYS A 43 3.781 25.831 -1.567 1.00 0.00 C ATOM 687 CE LYS A 43 4.212 26.008 -3.027 1.00 0.00 C ATOM 688 NZ LYS A 43 5.328 25.070 -3.334 1.00 0.00 N ATOM 0 H LYS A 43 0.101 26.905 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 43 1.636 29.191 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.253 26.459 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.168 27.648 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.753 27.946 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.765 26.979 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.651 25.628 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.116 24.972 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.369 25.817 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.529 27.036 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.112 25.595 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.658 24.623 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.994 24.336 -3.991 1.00 0.00 H new ATOM 702 N PHE A 44 -0.877 28.720 -2.863 1.00 0.00 N ATOM 703 CA PHE A 44 -1.636 29.328 -3.951 1.00 0.00 C ATOM 704 C PHE A 44 -2.127 30.727 -3.596 1.00 0.00 C ATOM 705 O PHE A 44 -1.976 31.660 -4.382 1.00 0.00 O ATOM 706 CB PHE A 44 -2.835 28.445 -4.284 1.00 0.00 C ATOM 707 CG PHE A 44 -3.802 29.214 -5.151 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.602 29.279 -6.534 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.898 29.864 -4.570 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.498 29.994 -7.337 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.794 30.580 -5.373 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.594 30.644 -6.757 1.00 0.00 C ATOM 0 H PHE A 44 -1.313 27.896 -2.449 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.971 29.416 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.504 27.544 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.329 28.123 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.757 28.778 -6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.052 29.813 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.344 30.044 -8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.639 31.082 -4.925 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.285 31.195 -7.377 1.00 0.00 H new ATOM 722 N ASN A 45 -2.718 30.873 -2.418 1.00 0.00 N ATOM 723 CA ASN A 45 -3.227 32.173 -2.000 1.00 0.00 C ATOM 724 C ASN A 45 -2.084 33.124 -1.672 1.00 0.00 C ATOM 725 O ASN A 45 -1.386 32.950 -0.672 1.00 0.00 O ATOM 726 CB ASN A 45 -4.127 32.013 -0.776 1.00 0.00 C ATOM 727 CG ASN A 45 -5.081 33.199 -0.680 1.00 0.00 C ATOM 728 OD1 ASN A 45 -4.674 34.342 -0.886 1.00 0.00 O ATOM 729 ND2 ASN A 45 -6.335 32.996 -0.381 1.00 0.00 N ATOM 0 H ASN A 45 -2.856 30.120 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.804 32.593 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.693 31.084 -0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.520 31.948 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.978 33.785 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.672 32.048 -0.210 1.00 0.00 H new ATOM 736 N GLN A 46 -1.900 34.133 -2.516 1.00 0.00 N ATOM 737 CA GLN A 46 -0.840 35.106 -2.295 1.00 0.00 C ATOM 738 C GLN A 46 -1.045 35.808 -0.959 1.00 0.00 C ATOM 739 O GLN A 46 -0.083 36.142 -0.266 1.00 0.00 O ATOM 740 CB GLN A 46 -0.830 36.141 -3.422 1.00 0.00 C ATOM 741 CG GLN A 46 -0.436 35.463 -4.736 1.00 0.00 C ATOM 742 CD GLN A 46 -0.297 36.507 -5.838 1.00 0.00 C ATOM 743 OE1 GLN A 46 -1.289 37.096 -6.265 1.00 0.00 O ATOM 744 NE2 GLN A 46 0.884 36.774 -6.324 1.00 0.00 N ATOM 0 H GLN A 46 -2.464 34.297 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 46 0.116 34.582 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.814 36.599 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.128 36.941 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.505 34.927 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.189 34.726 -5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.705 36.284 -5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.987 37.473 -7.060 1.00 0.00 H new ATOM 753 N GLN A 47 -2.306 36.022 -0.600 1.00 0.00 N ATOM 754 CA GLN A 47 -2.631 36.680 0.658 1.00 0.00 C ATOM 755 C GLN A 47 -1.994 35.932 1.824 1.00 0.00 C ATOM 756 O GLN A 47 -1.397 36.537 2.714 1.00 0.00 O ATOM 757 CB GLN A 47 -4.149 36.725 0.841 1.00 0.00 C ATOM 758 CG GLN A 47 -4.499 37.647 2.009 1.00 0.00 C ATOM 759 CD GLN A 47 -6.007 37.647 2.236 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.780 37.575 1.281 1.00 0.00 O ATOM 761 NE2 GLN A 47 -6.476 37.722 3.452 1.00 0.00 N ATOM 0 H GLN A 47 -3.115 35.751 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.239 37.697 0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.625 37.082 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.532 35.722 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.987 37.315 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.154 38.660 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.835 37.782 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.484 37.721 3.611 1.00 0.00 H new ATOM 770 N GLN A 48 -2.119 34.608 1.807 1.00 0.00 N ATOM 771 CA GLN A 48 -1.545 33.784 2.862 1.00 0.00 C ATOM 772 C GLN A 48 -0.025 33.779 2.755 1.00 0.00 C ATOM 773 O GLN A 48 0.681 33.859 3.760 1.00 0.00 O ATOM 774 CB GLN A 48 -2.075 32.353 2.752 1.00 0.00 C ATOM 775 CG GLN A 48 -3.588 32.351 2.974 1.00 0.00 C ATOM 776 CD GLN A 48 -4.115 30.921 2.957 1.00 0.00 C ATOM 777 OE1 GLN A 48 -4.031 30.216 3.964 1.00 0.00 O ATOM 778 NE2 GLN A 48 -4.655 30.447 1.868 1.00 0.00 N ATOM 0 H GLN A 48 -2.609 34.087 1.080 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.832 34.200 3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.840 31.941 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.588 31.716 3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.825 32.823 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.079 32.938 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.723 31.033 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.009 29.491 1.849 1.00 0.00 H new ATOM 787 N ARG A 49 0.469 33.691 1.524 1.00 0.00 N ATOM 788 CA ARG A 49 1.906 33.683 1.280 1.00 0.00 C ATOM 789 C ARG A 49 2.200 34.139 -0.145 1.00 0.00 C ATOM 790 O ARG A 49 1.826 33.468 -1.107 1.00 0.00 O ATOM 791 CB ARG A 49 2.464 32.274 1.493 1.00 0.00 C ATOM 792 CG ARG A 49 3.985 32.343 1.637 1.00 0.00 C ATOM 793 CD ARG A 49 4.550 30.926 1.742 1.00 0.00 C ATOM 794 NE ARG A 49 5.940 30.967 2.181 1.00 0.00 N ATOM 795 CZ ARG A 49 6.898 31.444 1.392 1.00 0.00 C ATOM 796 NH1 ARG A 49 6.603 31.889 0.201 1.00 0.00 N ATOM 797 NH2 ARG A 49 8.134 31.467 1.808 1.00 0.00 N ATOM 0 H ARG A 49 -0.103 33.624 0.682 1.00 0.00 H new ATOM 0 HA ARG A 49 2.383 34.369 1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.024 31.828 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.197 31.635 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.420 32.857 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.252 32.919 2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.956 30.342 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.481 30.427 0.775 1.00 0.00 H new ATOM 0 HE ARG A 49 6.182 30.623 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.637 31.871 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.339 32.255 -0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.365 31.119 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.869 31.833 1.203 1.00 0.00 H new ATOM 811 N THR A 50 2.867 35.281 -0.274 1.00 0.00 N ATOM 812 CA THR A 50 3.200 35.818 -1.589 1.00 0.00 C ATOM 813 C THR A 50 4.673 35.588 -1.909 1.00 0.00 C ATOM 814 O THR A 50 5.540 35.764 -1.052 1.00 0.00 O ATOM 815 CB THR A 50 2.895 37.318 -1.631 1.00 0.00 C ATOM 816 OG1 THR A 50 1.519 37.523 -1.344 1.00 0.00 O ATOM 817 CG2 THR A 50 3.216 37.868 -3.021 1.00 0.00 C ATOM 0 H THR A 50 3.186 35.850 0.510 1.00 0.00 H new ATOM 0 HA THR A 50 2.596 35.301 -2.334 1.00 0.00 H new ATOM 0 HB THR A 50 3.505 37.836 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.148 36.717 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.998 38.936 -3.049 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.271 37.707 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.608 37.354 -3.765 1.00 0.00 H new ATOM 825 N GLY A 51 4.949 35.200 -3.149 1.00 0.00 N ATOM 826 CA GLY A 51 6.322 34.953 -3.570 1.00 0.00 C ATOM 827 C GLY A 51 6.401 33.773 -4.533 1.00 0.00 C ATOM 828 O GLY A 51 7.042 33.858 -5.580 1.00 0.00 O ATOM 0 H GLY A 51 4.247 35.051 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.724 35.845 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.943 34.755 -2.696 1.00 0.00 H new ATOM 832 N GLU A 52 5.753 32.669 -4.170 1.00 0.00 N ATOM 833 CA GLU A 52 5.771 31.481 -5.015 1.00 0.00 C ATOM 834 C GLU A 52 4.868 31.672 -6.241 1.00 0.00 C ATOM 835 O GLU A 52 3.916 32.450 -6.191 1.00 0.00 O ATOM 836 CB GLU A 52 5.295 30.267 -4.214 1.00 0.00 C ATOM 837 CG GLU A 52 6.487 29.619 -3.504 1.00 0.00 C ATOM 838 CD GLU A 52 7.177 28.631 -4.439 1.00 0.00 C ATOM 839 OE1 GLU A 52 6.781 27.478 -4.448 1.00 0.00 O ATOM 840 OE2 GLU A 52 8.090 29.045 -5.135 1.00 0.00 O ATOM 0 H GLU A 52 5.216 32.573 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 52 6.793 31.317 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.546 30.572 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.818 29.545 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.193 30.386 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.149 29.105 -2.604 1.00 0.00 H new ATOM 847 N PRO A 53 5.129 30.979 -7.333 1.00 0.00 N ATOM 848 CA PRO A 53 4.295 31.093 -8.564 1.00 0.00 C ATOM 849 C PRO A 53 2.801 31.101 -8.254 1.00 0.00 C ATOM 850 O PRO A 53 2.378 30.689 -7.174 1.00 0.00 O ATOM 851 CB PRO A 53 4.659 29.848 -9.373 1.00 0.00 C ATOM 852 CG PRO A 53 6.023 29.445 -8.921 1.00 0.00 C ATOM 853 CD PRO A 53 6.237 30.022 -7.521 1.00 0.00 C ATOM 0 HA PRO A 53 4.487 32.028 -9.091 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.939 29.048 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.650 30.061 -10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.116 28.359 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.781 29.820 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.216 29.239 -6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.205 30.517 -7.441 1.00 0.00 H new ATOM 861 N ASP A 54 2.006 31.561 -9.217 1.00 0.00 N ATOM 862 CA ASP A 54 0.559 31.606 -9.043 1.00 0.00 C ATOM 863 C ASP A 54 -0.007 30.192 -8.943 1.00 0.00 C ATOM 864 O ASP A 54 -1.060 29.973 -8.344 1.00 0.00 O ATOM 865 CB ASP A 54 -0.087 32.336 -10.223 1.00 0.00 C ATOM 866 CG ASP A 54 0.319 33.806 -10.211 1.00 0.00 C ATOM 867 OD1 ASP A 54 0.718 34.281 -9.161 1.00 0.00 O ATOM 868 OD2 ASP A 54 0.222 34.437 -11.251 1.00 0.00 O ATOM 0 H ASP A 54 2.337 31.905 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 54 0.336 32.143 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.220 31.873 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.172 32.249 -10.165 1.00 0.00 H new ATOM 873 N GLU A 55 0.705 29.236 -9.535 1.00 0.00 N ATOM 874 CA GLU A 55 0.275 27.842 -9.510 1.00 0.00 C ATOM 875 C GLU A 55 -1.057 27.672 -10.233 1.00 0.00 C ATOM 876 O GLU A 55 -2.045 28.324 -9.896 1.00 0.00 O ATOM 877 CB GLU A 55 0.133 27.360 -8.064 1.00 0.00 C ATOM 878 CG GLU A 55 0.987 26.108 -7.855 1.00 0.00 C ATOM 879 CD GLU A 55 0.499 24.987 -8.766 1.00 0.00 C ATOM 880 OE1 GLU A 55 -0.581 25.126 -9.315 1.00 0.00 O ATOM 881 OE2 GLU A 55 1.213 24.006 -8.902 1.00 0.00 O ATOM 0 H GLU A 55 1.578 29.401 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 55 1.031 27.246 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.446 28.145 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.912 27.141 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.033 26.331 -8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.934 25.791 -6.814 1.00 0.00 H new ATOM 888 N GLU A 56 -1.078 26.789 -11.228 1.00 0.00 N ATOM 889 CA GLU A 56 -2.299 26.541 -11.985 1.00 0.00 C ATOM 890 C GLU A 56 -3.385 26.001 -11.062 1.00 0.00 C ATOM 891 O GLU A 56 -4.548 26.395 -11.158 1.00 0.00 O ATOM 892 CB GLU A 56 -2.027 25.534 -13.107 1.00 0.00 C ATOM 893 CG GLU A 56 -3.260 25.419 -14.010 1.00 0.00 C ATOM 894 CD GLU A 56 -3.029 24.353 -15.077 1.00 0.00 C ATOM 895 OE1 GLU A 56 -2.002 23.697 -15.020 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.885 24.207 -15.934 1.00 0.00 O ATOM 0 H GLU A 56 -0.272 26.239 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.637 27.480 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.164 25.852 -13.692 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.783 24.560 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.135 25.164 -13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.466 26.379 -14.483 1.00 0.00 H new ATOM 903 N GLU A 57 -2.996 25.100 -10.165 1.00 0.00 N ATOM 904 CA GLU A 57 -3.941 24.515 -9.223 1.00 0.00 C ATOM 905 C GLU A 57 -3.783 25.153 -7.850 1.00 0.00 C ATOM 906 O GLU A 57 -2.700 25.611 -7.487 1.00 0.00 O ATOM 907 CB GLU A 57 -3.714 23.007 -9.112 1.00 0.00 C ATOM 908 CG GLU A 57 -2.235 22.731 -8.840 1.00 0.00 C ATOM 909 CD GLU A 57 -2.015 21.237 -8.622 1.00 0.00 C ATOM 910 OE1 GLU A 57 -2.486 20.730 -7.617 1.00 0.00 O ATOM 911 OE2 GLU A 57 -1.380 20.623 -9.464 1.00 0.00 O ATOM 0 H GLU A 57 -2.038 24.761 -10.072 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.950 24.701 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.325 22.595 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.023 22.513 -10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.632 23.077 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.908 23.287 -7.961 1.00 0.00 H new ATOM 918 N GLY A 58 -4.871 25.183 -7.092 1.00 0.00 N ATOM 919 CA GLY A 58 -4.845 25.770 -5.760 1.00 0.00 C ATOM 920 C GLY A 58 -6.248 25.828 -5.178 1.00 0.00 C ATOM 921 O GLY A 58 -6.642 24.968 -4.391 1.00 0.00 O ATOM 0 H GLY A 58 -5.777 24.810 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.199 25.181 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.422 26.774 -5.806 1.00 0.00 H new ATOM 925 N THR A 59 -7.006 26.840 -5.582 1.00 0.00 N ATOM 926 CA THR A 59 -8.370 26.985 -5.103 1.00 0.00 C ATOM 927 C THR A 59 -9.249 25.906 -5.721 1.00 0.00 C ATOM 928 O THR A 59 -10.469 25.919 -5.569 1.00 0.00 O ATOM 929 CB THR A 59 -8.910 28.374 -5.459 1.00 0.00 C ATOM 930 OG1 THR A 59 -7.936 29.084 -6.213 1.00 0.00 O ATOM 931 CG2 THR A 59 -9.227 29.144 -4.175 1.00 0.00 C ATOM 0 H THR A 59 -6.702 27.564 -6.233 1.00 0.00 H new ATOM 0 HA THR A 59 -8.380 26.875 -4.019 1.00 0.00 H new ATOM 0 HB THR A 59 -9.819 28.269 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.455 29.703 -5.625 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.611 30.132 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.976 28.600 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.320 29.249 -3.580 1.00 0.00 H new ATOM 939 N PHE A 60 -8.610 24.959 -6.404 1.00 0.00 N ATOM 940 CA PHE A 60 -9.334 23.859 -7.027 1.00 0.00 C ATOM 941 C PHE A 60 -9.943 22.993 -5.941 1.00 0.00 C ATOM 942 O PHE A 60 -11.101 22.583 -6.024 1.00 0.00 O ATOM 943 CB PHE A 60 -8.383 23.028 -7.889 1.00 0.00 C ATOM 944 CG PHE A 60 -9.150 21.922 -8.576 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.941 22.208 -9.696 1.00 0.00 C ATOM 946 CD2 PHE A 60 -9.063 20.610 -8.097 1.00 0.00 C ATOM 947 CE1 PHE A 60 -10.645 21.180 -10.336 1.00 0.00 C ATOM 948 CE2 PHE A 60 -9.766 19.583 -8.738 1.00 0.00 C ATOM 949 CZ PHE A 60 -10.558 19.868 -9.857 1.00 0.00 C ATOM 0 H PHE A 60 -7.599 24.933 -6.538 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.124 24.255 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.901 23.664 -8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.592 22.604 -7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.008 23.220 -10.066 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.454 20.390 -7.233 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.255 21.400 -11.200 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.697 18.570 -8.369 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.101 19.076 -10.350 1.00 0.00 H new ATOM 959 N ARG A 61 -9.155 22.750 -4.901 1.00 0.00 N ATOM 960 CA ARG A 61 -9.616 21.967 -3.770 1.00 0.00 C ATOM 961 C ARG A 61 -10.837 22.650 -3.165 1.00 0.00 C ATOM 962 O ARG A 61 -11.749 21.997 -2.662 1.00 0.00 O ATOM 963 CB ARG A 61 -8.501 21.861 -2.727 1.00 0.00 C ATOM 964 CG ARG A 61 -8.895 20.866 -1.633 1.00 0.00 C ATOM 965 CD ARG A 61 -8.447 21.416 -0.280 1.00 0.00 C ATOM 966 NE ARG A 61 -8.695 20.442 0.773 1.00 0.00 N ATOM 967 CZ ARG A 61 -8.231 20.634 2.001 1.00 0.00 C ATOM 968 NH1 ARG A 61 -7.540 21.706 2.277 1.00 0.00 N ATOM 969 NH2 ARG A 61 -8.467 19.752 2.931 1.00 0.00 N ATOM 0 H ARG A 61 -8.195 23.085 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.884 20.962 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.575 21.540 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.310 22.840 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.974 20.708 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.430 19.898 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.386 21.662 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.981 22.341 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.233 19.601 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.357 22.396 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.183 21.854 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.008 18.915 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.111 19.899 3.875 1.00 0.00 H new ATOM 983 N SER A 62 -10.843 23.978 -3.226 1.00 0.00 N ATOM 984 CA SER A 62 -11.952 24.755 -2.692 1.00 0.00 C ATOM 985 C SER A 62 -13.241 24.406 -3.427 1.00 0.00 C ATOM 986 O SER A 62 -14.319 24.403 -2.840 1.00 0.00 O ATOM 987 CB SER A 62 -11.664 26.247 -2.850 1.00 0.00 C ATOM 988 OG SER A 62 -10.272 26.478 -2.671 1.00 0.00 O ATOM 0 H SER A 62 -10.095 24.535 -3.638 1.00 0.00 H new ATOM 0 HA SER A 62 -12.068 24.518 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.977 26.587 -3.837 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.236 26.819 -2.120 1.00 0.00 H new ATOM 0 HG SER A 62 -10.141 27.196 -2.017 1.00 0.00 H new ATOM 994 N SER A 63 -13.122 24.110 -4.716 1.00 0.00 N ATOM 995 CA SER A 63 -14.289 23.755 -5.510 1.00 0.00 C ATOM 996 C SER A 63 -14.868 22.432 -5.020 1.00 0.00 C ATOM 997 O SER A 63 -16.077 22.222 -5.048 1.00 0.00 O ATOM 998 CB SER A 63 -13.901 23.642 -6.983 1.00 0.00 C ATOM 999 OG SER A 63 -13.266 22.391 -7.205 1.00 0.00 O ATOM 0 H SER A 63 -12.240 24.109 -5.228 1.00 0.00 H new ATOM 0 HA SER A 63 -15.044 24.534 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.787 23.730 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.232 24.457 -7.258 1.00 0.00 H new ATOM 0 HG SER A 63 -12.298 22.490 -7.088 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.990 21.548 -4.563 1.00 0.00 N ATOM 1006 CA ILE A 64 -14.408 20.242 -4.063 1.00 0.00 C ATOM 1007 C ILE A 64 -15.314 20.408 -2.844 1.00 0.00 C ATOM 1008 O ILE A 64 -16.215 19.605 -2.623 1.00 0.00 O ATOM 1009 CB ILE A 64 -13.190 19.381 -3.686 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -12.231 19.253 -4.885 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -13.662 17.988 -3.258 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -12.644 18.074 -5.775 1.00 0.00 C ATOM 0 H ILE A 64 -12.984 21.711 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.958 19.738 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.661 19.860 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -12.239 20.176 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.211 19.109 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.799 17.378 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.324 18.077 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.199 17.517 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -11.957 17.996 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.612 17.152 -5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.656 18.235 -6.146 1.00 0.00 H new ATOM 1024 N ARG A 65 -15.085 21.451 -2.053 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.919 21.680 -0.876 1.00 0.00 C ATOM 1026 C ARG A 65 -17.379 21.804 -1.293 1.00 0.00 C ATOM 1027 O ARG A 65 -18.283 21.465 -0.531 1.00 0.00 O ATOM 1028 CB ARG A 65 -15.505 22.958 -0.147 1.00 0.00 C ATOM 1029 CG ARG A 65 -14.172 22.743 0.563 1.00 0.00 C ATOM 1030 CD ARG A 65 -13.807 24.002 1.352 1.00 0.00 C ATOM 1031 NE ARG A 65 -14.686 24.154 2.512 1.00 0.00 N ATOM 1032 CZ ARG A 65 -15.769 24.934 2.484 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -16.121 25.557 1.391 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -16.498 25.064 3.560 1.00 0.00 N ATOM 0 H ARG A 65 -14.346 22.138 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.789 20.832 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.420 23.781 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -16.271 23.239 0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.239 21.887 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.392 22.518 -0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.769 23.944 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.890 24.878 0.709 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.464 23.648 3.369 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.565 25.451 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.951 26.149 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.238 24.571 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.327 25.658 3.546 1.00 0.00 H new ATOM 1048 N ARG A 66 -17.601 22.299 -2.506 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.957 22.469 -3.004 1.00 0.00 C ATOM 1050 C ARG A 66 -19.715 21.151 -2.921 1.00 0.00 C ATOM 1051 O ARG A 66 -20.910 21.134 -2.653 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.938 22.989 -4.449 1.00 0.00 C ATOM 1053 CG ARG A 66 -18.879 21.825 -5.448 1.00 0.00 C ATOM 1054 CD ARG A 66 -18.491 22.364 -6.827 1.00 0.00 C ATOM 1055 NE ARG A 66 -18.843 23.775 -6.933 1.00 0.00 N ATOM 1056 CZ ARG A 66 -18.317 24.547 -7.879 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -17.456 24.049 -8.724 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -18.660 25.804 -7.959 1.00 0.00 N ATOM 0 H ARG A 66 -16.868 22.586 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.468 23.205 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.828 23.589 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.077 23.642 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.153 21.083 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.846 21.324 -5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.421 22.236 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.001 21.795 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.505 24.177 -6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.187 23.067 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.053 24.641 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.331 26.193 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.257 26.397 -8.684 1.00 0.00 H new ATOM 1072 N LEU A 67 -19.017 20.047 -3.141 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.653 18.739 -3.070 1.00 0.00 C ATOM 1074 C LEU A 67 -20.256 18.524 -1.679 1.00 0.00 C ATOM 1075 O LEU A 67 -21.138 17.685 -1.501 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.641 17.628 -3.381 1.00 0.00 C ATOM 1077 CG LEU A 67 -19.113 16.814 -4.588 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -19.108 17.697 -5.836 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.168 15.629 -4.802 1.00 0.00 C ATOM 0 H LEU A 67 -18.023 20.029 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.449 18.701 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.662 18.063 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.526 16.976 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.124 16.449 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.444 17.116 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.778 18.543 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.098 18.063 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.502 15.048 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.158 15.997 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.170 14.997 -3.914 1.00 0.00 H new ATOM 1091 N SER A 68 -19.757 19.266 -0.687 1.00 0.00 N ATOM 1092 CA SER A 68 -20.253 19.113 0.679 1.00 0.00 C ATOM 1093 C SER A 68 -21.685 19.637 0.818 1.00 0.00 C ATOM 1094 O SER A 68 -22.549 18.953 1.366 1.00 0.00 O ATOM 1095 CB SER A 68 -19.343 19.867 1.648 1.00 0.00 C ATOM 1096 OG SER A 68 -17.996 19.458 1.444 1.00 0.00 O ATOM 0 H SER A 68 -19.024 19.966 -0.802 1.00 0.00 H new ATOM 0 HA SER A 68 -20.253 18.049 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.436 20.942 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.644 19.668 2.677 1.00 0.00 H new ATOM 0 HG SER A 68 -17.599 19.988 0.722 1.00 0.00 H new ATOM 1102 N THR A 69 -21.926 20.850 0.323 1.00 0.00 N ATOM 1103 CA THR A 69 -23.256 21.455 0.401 1.00 0.00 C ATOM 1104 C THR A 69 -23.932 21.473 -0.966 1.00 0.00 C ATOM 1105 O THR A 69 -25.139 21.255 -1.078 1.00 0.00 O ATOM 1106 CB THR A 69 -23.142 22.889 0.928 1.00 0.00 C ATOM 1107 OG1 THR A 69 -24.229 23.659 0.434 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.823 23.505 0.456 1.00 0.00 C ATOM 0 H THR A 69 -21.223 21.431 -0.134 1.00 0.00 H new ATOM 0 HA THR A 69 -23.862 20.856 1.080 1.00 0.00 H new ATOM 0 HB THR A 69 -23.166 22.880 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 69 -24.160 24.577 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.743 24.525 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.989 22.913 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 69 -21.796 23.516 -0.634 1.00 0.00 H new ATOM 1116 N ARG A 70 -23.144 21.752 -1.997 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.663 21.819 -3.362 1.00 0.00 C ATOM 1118 C ARG A 70 -23.871 20.424 -3.950 1.00 0.00 C ATOM 1119 O ARG A 70 -23.601 20.192 -5.128 1.00 0.00 O ATOM 1120 CB ARG A 70 -22.690 22.603 -4.247 1.00 0.00 C ATOM 1121 CG ARG A 70 -23.453 23.245 -5.407 1.00 0.00 C ATOM 1122 CD ARG A 70 -24.002 24.603 -4.970 1.00 0.00 C ATOM 1123 NE ARG A 70 -25.231 24.906 -5.691 1.00 0.00 N ATOM 1124 CZ ARG A 70 -25.869 26.057 -5.506 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -25.403 26.931 -4.658 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -26.963 26.310 -6.171 1.00 0.00 N ATOM 0 H ARG A 70 -22.144 21.936 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 70 -24.628 22.324 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -22.187 23.372 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -21.916 21.938 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -22.793 23.367 -6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -24.270 22.596 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -24.194 24.597 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -23.261 25.380 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 70 -25.608 24.224 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -24.549 26.731 -4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -25.892 27.815 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -27.328 25.624 -6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -27.453 27.193 -6.029 1.00 0.00 H new ATOM 1140 N ARG A 71 -24.361 19.501 -3.128 1.00 0.00 N ATOM 1141 CA ARG A 71 -24.607 18.137 -3.587 1.00 0.00 C ATOM 1142 C ARG A 71 -25.924 17.622 -3.019 1.00 0.00 C ATOM 1143 O ARG A 71 -26.818 17.220 -3.763 1.00 0.00 O ATOM 1144 CB ARG A 71 -23.463 17.219 -3.147 1.00 0.00 C ATOM 1145 CG ARG A 71 -23.580 15.862 -3.850 1.00 0.00 C ATOM 1146 CD ARG A 71 -22.657 14.852 -3.163 1.00 0.00 C ATOM 1147 NE ARG A 71 -22.631 13.600 -3.909 1.00 0.00 N ATOM 1148 CZ ARG A 71 -23.561 12.669 -3.719 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -24.523 12.875 -2.864 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -23.512 11.552 -4.390 1.00 0.00 N ATOM 0 H ARG A 71 -24.594 19.670 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 71 -24.664 18.141 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -22.504 17.680 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -23.491 17.082 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -24.611 15.510 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -23.311 15.960 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.649 15.261 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -23.001 14.669 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.887 13.436 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.562 13.750 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.237 12.161 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -22.760 11.392 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.225 10.838 -4.244 1.00 0.00 H new ATOM 1164 N ARG A 72 -26.032 17.637 -1.696 1.00 0.00 N ATOM 1165 CA ARG A 72 -27.244 17.170 -1.034 1.00 0.00 C ATOM 1166 C ARG A 72 -27.484 17.952 0.253 1.00 0.00 C ATOM 1167 O ARG A 72 -28.297 17.510 1.047 1.00 0.00 O ATOM 1168 CB ARG A 72 -27.121 15.680 -0.713 1.00 0.00 C ATOM 1169 CG ARG A 72 -25.727 15.389 -0.151 1.00 0.00 C ATOM 1170 CD ARG A 72 -25.655 13.930 0.301 1.00 0.00 C ATOM 1171 NE ARG A 72 -26.581 13.696 1.403 1.00 0.00 N ATOM 1172 CZ ARG A 72 -26.989 12.468 1.711 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -26.561 11.445 1.022 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -27.817 12.285 2.702 1.00 0.00 N ATOM 1175 OXT ARG A 72 -26.850 18.980 0.424 1.00 0.00 O ATOM 0 H ARG A 72 -25.301 17.965 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.088 17.328 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -27.883 15.389 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.292 15.089 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.969 15.584 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -25.516 16.052 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.897 13.271 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -24.639 13.688 0.613 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.922 14.488 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.913 11.587 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.874 10.504 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -28.152 13.084 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.130 11.343 2.938 1.00 0.00 H new TER 1189 ARG A 72