USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 137:sc= 1.22 (180deg=-0.236) USER MOD Set 1.2: A 62 GLN : amide:sc= 2.52 K(o=3.7,f=-6.6!) USER MOD Set 2.1: A 18 THR OG1 : rot 20:sc= 1.08 USER MOD Set 2.2: A 19 ASN : amide:sc= 1.15 K(o=2.2,f=0.91) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.17 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0278 (180deg=-0.246) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -150:sc= -3.15! USER MOD Single : A 11 THR OG1 : rot 143:sc= 1.57 USER MOD Single : A 15 TYR OH : rot -162:sc= 1.14 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 32 HIS : no HE2:sc= -0.0556 X(o=-0.056,f=-0.3) USER MOD Single : A 35 SER OG : rot -126:sc= 1.26 USER MOD Single : A 38 THR OG1 : rot -100:sc= 1.3 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= 0.705 (180deg=-0.0757) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0543 F(o=-0.71,f=-0.054) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0441 (180deg=-0.251) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00192 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.110 -7.278 2.948 1.00 0.00 N ATOM 2 CA GLY A 1 -12.290 -7.446 1.763 1.00 0.00 C ATOM 3 C GLY A 1 -12.125 -6.139 1.047 1.00 0.00 C ATOM 4 O GLY A 1 -12.688 -5.121 1.471 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.595 -7.631 3.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.329 -6.270 3.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.995 -7.812 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.313 -7.840 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.749 -8.177 1.097 1.00 0.00 H new ATOM 10 N ALA A 2 -11.358 -6.155 -0.008 1.00 0.00 N ATOM 11 CA ALA A 2 -11.113 -5.008 -0.838 1.00 0.00 C ATOM 12 C ALA A 2 -10.683 -5.516 -2.190 1.00 0.00 C ATOM 13 O ALA A 2 -9.783 -6.343 -2.281 1.00 0.00 O ATOM 14 CB ALA A 2 -10.024 -4.132 -0.231 1.00 0.00 C ATOM 0 H ALA A 2 -10.871 -6.994 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.013 -4.400 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.852 -3.268 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.338 -3.793 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.102 -4.707 -0.141 1.00 0.00 H new ATOM 20 N MET A 3 -11.332 -5.068 -3.221 1.00 0.00 N ATOM 21 CA MET A 3 -11.030 -5.540 -4.561 1.00 0.00 C ATOM 22 C MET A 3 -10.470 -4.424 -5.400 1.00 0.00 C ATOM 23 O MET A 3 -10.493 -4.482 -6.631 1.00 0.00 O ATOM 24 CB MET A 3 -12.267 -6.151 -5.226 1.00 0.00 C ATOM 25 CG MET A 3 -12.802 -7.396 -4.529 1.00 0.00 C ATOM 26 SD MET A 3 -11.575 -8.720 -4.411 1.00 0.00 S ATOM 27 CE MET A 3 -12.546 -9.998 -3.615 1.00 0.00 C ATOM 0 H MET A 3 -12.078 -4.374 -3.172 1.00 0.00 H new ATOM 0 HA MET A 3 -10.276 -6.323 -4.480 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.056 -5.400 -5.259 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.023 -6.403 -6.258 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.138 -7.129 -3.527 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.674 -7.763 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.930 -10.886 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.897 -9.639 -2.648 1.00 0.00 H new ATOM 0 HE3 MET A 3 -13.402 -10.248 -4.242 1.00 0.00 H new ATOM 37 N GLY A 4 -9.945 -3.424 -4.730 1.00 0.00 N ATOM 38 CA GLY A 4 -9.360 -2.301 -5.405 1.00 0.00 C ATOM 39 C GLY A 4 -10.397 -1.500 -6.119 1.00 0.00 C ATOM 40 O GLY A 4 -10.294 -1.272 -7.326 1.00 0.00 O ATOM 0 H GLY A 4 -9.914 -3.371 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.842 -1.669 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.613 -2.651 -6.117 1.00 0.00 H new ATOM 44 N ALA A 5 -11.430 -1.129 -5.400 1.00 0.00 N ATOM 45 CA ALA A 5 -12.480 -0.346 -5.970 1.00 0.00 C ATOM 46 C ALA A 5 -12.081 1.107 -5.952 1.00 0.00 C ATOM 47 O ALA A 5 -11.639 1.649 -6.965 1.00 0.00 O ATOM 48 CB ALA A 5 -13.802 -0.593 -5.253 1.00 0.00 C ATOM 0 H ALA A 5 -11.558 -1.362 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.636 -0.645 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -14.582 0.016 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -14.070 -1.646 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.701 -0.326 -4.201 1.00 0.00 H new ATOM 54 N LYS A 6 -12.202 1.717 -4.805 1.00 0.00 N ATOM 55 CA LYS A 6 -11.776 3.082 -4.586 1.00 0.00 C ATOM 56 C LYS A 6 -11.348 3.274 -3.157 1.00 0.00 C ATOM 57 O LYS A 6 -12.122 3.761 -2.326 1.00 0.00 O ATOM 58 CB LYS A 6 -12.847 4.134 -4.960 1.00 0.00 C ATOM 59 CG LYS A 6 -13.061 4.336 -6.454 1.00 0.00 C ATOM 60 CD LYS A 6 -14.126 5.380 -6.743 1.00 0.00 C ATOM 61 CE LYS A 6 -15.526 4.913 -6.353 1.00 0.00 C ATOM 62 NZ LYS A 6 -15.963 3.730 -7.133 1.00 0.00 N ATOM 0 H LYS A 6 -12.606 1.276 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.932 3.245 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.795 3.840 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.566 5.089 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.122 4.639 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.349 3.389 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.888 6.296 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.111 5.625 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.543 4.671 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.234 5.728 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.987 3.593 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.750 3.880 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.459 2.886 -6.795 1.00 0.00 H new ATOM 76 N GLU A 7 -10.165 2.825 -2.852 1.00 0.00 N ATOM 77 CA GLU A 7 -9.580 3.013 -1.544 1.00 0.00 C ATOM 78 C GLU A 7 -8.141 3.437 -1.729 1.00 0.00 C ATOM 79 O GLU A 7 -7.374 2.757 -2.401 1.00 0.00 O ATOM 80 CB GLU A 7 -9.691 1.743 -0.658 1.00 0.00 C ATOM 81 CG GLU A 7 -11.130 1.366 -0.287 1.00 0.00 C ATOM 82 CD GLU A 7 -11.235 0.205 0.680 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.240 0.440 1.929 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.354 -0.955 0.229 1.00 0.00 O ATOM 0 H GLU A 7 -9.570 2.314 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.133 3.788 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.230 0.905 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.120 1.900 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.621 2.235 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.675 1.117 -1.197 1.00 0.00 H new ATOM 91 N TYR A 8 -7.790 4.574 -1.203 1.00 0.00 N ATOM 92 CA TYR A 8 -6.451 5.086 -1.357 1.00 0.00 C ATOM 93 C TYR A 8 -5.826 5.292 -0.012 1.00 0.00 C ATOM 94 O TYR A 8 -6.505 5.670 0.950 1.00 0.00 O ATOM 95 CB TYR A 8 -6.434 6.411 -2.123 1.00 0.00 C ATOM 96 CG TYR A 8 -7.004 6.353 -3.524 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.199 6.044 -4.605 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.342 6.622 -3.763 1.00 0.00 C ATOM 99 CE1 TYR A 8 -6.711 6.005 -5.884 1.00 0.00 C ATOM 100 CE2 TYR A 8 -8.865 6.581 -5.038 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.043 6.271 -6.096 1.00 0.00 C ATOM 102 OH TYR A 8 -8.554 6.232 -7.378 1.00 0.00 O ATOM 0 H TYR A 8 -8.413 5.171 -0.660 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.884 4.351 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.994 7.150 -1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.405 6.765 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.153 5.830 -4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.988 6.869 -2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.067 5.766 -6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.911 6.791 -5.204 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.511 6.443 -7.355 1.00 0.00 H new ATOM 112 N CYS A 9 -4.566 5.051 0.069 1.00 0.00 N ATOM 113 CA CYS A 9 -3.840 5.232 1.288 1.00 0.00 C ATOM 114 C CYS A 9 -2.570 6.035 1.039 1.00 0.00 C ATOM 115 O CYS A 9 -2.036 6.025 -0.062 1.00 0.00 O ATOM 116 CB CYS A 9 -3.556 3.869 1.939 1.00 0.00 C ATOM 117 SG CYS A 9 -2.869 2.629 0.819 1.00 0.00 S ATOM 0 H CYS A 9 -4.000 4.720 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.445 5.807 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.863 4.014 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.483 3.483 2.362 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.238 1.444 1.205 1.00 0.00 H new ATOM 123 N ARG A 10 -2.140 6.767 2.033 1.00 0.00 N ATOM 124 CA ARG A 10 -0.925 7.543 1.948 1.00 0.00 C ATOM 125 C ARG A 10 0.121 6.929 2.841 1.00 0.00 C ATOM 126 O ARG A 10 -0.168 6.575 3.990 1.00 0.00 O ATOM 127 CB ARG A 10 -1.141 9.004 2.387 1.00 0.00 C ATOM 128 CG ARG A 10 0.168 9.783 2.475 1.00 0.00 C ATOM 129 CD ARG A 10 0.014 11.158 3.078 1.00 0.00 C ATOM 130 NE ARG A 10 1.336 11.727 3.372 1.00 0.00 N ATOM 131 CZ ARG A 10 1.659 13.016 3.349 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.742 13.944 3.052 1.00 0.00 N ATOM 133 NH2 ARG A 10 2.904 13.368 3.642 1.00 0.00 N ATOM 0 H ARG A 10 -2.622 6.844 2.928 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.606 7.539 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.808 9.498 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.636 9.020 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.881 9.212 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.592 9.879 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.526 11.808 2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.578 11.100 3.992 1.00 0.00 H new ATOM 0 HE ARG A 10 2.077 11.070 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.216 13.665 2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.001 14.930 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.593 12.655 3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.172 14.352 3.630 1.00 0.00 H new ATOM 147 N THR A 11 1.300 6.792 2.331 1.00 0.00 N ATOM 148 CA THR A 11 2.402 6.317 3.091 1.00 0.00 C ATOM 149 C THR A 11 2.932 7.389 4.022 1.00 0.00 C ATOM 150 O THR A 11 3.238 8.514 3.594 1.00 0.00 O ATOM 151 CB THR A 11 3.485 5.857 2.157 1.00 0.00 C ATOM 152 OG1 THR A 11 3.418 6.654 0.963 1.00 0.00 O ATOM 153 CG2 THR A 11 3.295 4.416 1.821 1.00 0.00 C ATOM 0 H THR A 11 1.525 7.011 1.361 1.00 0.00 H new ATOM 0 HA THR A 11 2.067 5.482 3.707 1.00 0.00 H new ATOM 0 HB THR A 11 4.460 5.972 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.325 6.831 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.085 4.093 1.143 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.334 3.821 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.327 4.279 1.340 1.00 0.00 H new ATOM 161 N LEU A 12 3.009 7.039 5.280 1.00 0.00 N ATOM 162 CA LEU A 12 3.505 7.921 6.321 1.00 0.00 C ATOM 163 C LEU A 12 4.963 7.619 6.565 1.00 0.00 C ATOM 164 O LEU A 12 5.649 8.313 7.310 1.00 0.00 O ATOM 165 CB LEU A 12 2.724 7.686 7.610 1.00 0.00 C ATOM 166 CG LEU A 12 1.225 7.942 7.552 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.590 7.574 8.874 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.941 9.402 7.213 1.00 0.00 C ATOM 0 H LEU A 12 2.726 6.121 5.622 1.00 0.00 H new ATOM 0 HA LEU A 12 3.384 8.958 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.882 6.653 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.149 8.322 8.387 1.00 0.00 H new ATOM 0 HG LEU A 12 0.794 7.321 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.483 7.759 8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.767 6.519 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.028 8.178 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.136 9.564 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.379 10.045 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.377 9.642 6.243 1.00 0.00 H new ATOM 180 N PHE A 13 5.405 6.545 5.968 1.00 0.00 N ATOM 181 CA PHE A 13 6.766 6.109 6.049 1.00 0.00 C ATOM 182 C PHE A 13 7.175 5.551 4.711 1.00 0.00 C ATOM 183 O PHE A 13 6.353 4.926 4.028 1.00 0.00 O ATOM 184 CB PHE A 13 6.944 4.994 7.093 1.00 0.00 C ATOM 185 CG PHE A 13 6.759 5.380 8.524 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.818 5.891 9.248 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.539 5.203 9.157 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.667 6.223 10.571 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.382 5.539 10.482 1.00 0.00 C ATOM 190 CZ PHE A 13 6.451 6.049 11.191 1.00 0.00 C ATOM 0 H PHE A 13 4.813 5.938 5.400 1.00 0.00 H new ATOM 0 HA PHE A 13 7.376 6.965 6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.239 4.196 6.862 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.945 4.578 6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.775 6.031 8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.704 4.798 8.605 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.503 6.621 11.126 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.426 5.404 10.966 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.333 6.311 12.232 1.00 0.00 H new ATOM 200 N PRO A 14 8.402 5.809 4.278 1.00 0.00 N ATOM 201 CA PRO A 14 8.950 5.173 3.102 1.00 0.00 C ATOM 202 C PRO A 14 9.261 3.706 3.408 1.00 0.00 C ATOM 203 O PRO A 14 9.892 3.394 4.428 1.00 0.00 O ATOM 204 CB PRO A 14 10.259 5.931 2.839 1.00 0.00 C ATOM 205 CG PRO A 14 10.207 7.134 3.709 1.00 0.00 C ATOM 206 CD PRO A 14 9.341 6.774 4.867 1.00 0.00 C ATOM 0 HA PRO A 14 8.268 5.198 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.124 5.313 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.346 6.210 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.206 7.416 4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.799 7.988 3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.916 6.334 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.826 7.644 5.274 1.00 0.00 H new ATOM 214 N TYR A 15 8.845 2.828 2.550 1.00 0.00 N ATOM 215 CA TYR A 15 9.063 1.421 2.745 1.00 0.00 C ATOM 216 C TYR A 15 9.765 0.857 1.547 1.00 0.00 C ATOM 217 O TYR A 15 9.281 0.995 0.438 1.00 0.00 O ATOM 218 CB TYR A 15 7.734 0.671 2.978 1.00 0.00 C ATOM 219 CG TYR A 15 7.909 -0.831 3.185 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.423 -1.322 4.373 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.566 -1.753 2.187 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.595 -2.674 4.573 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.736 -3.111 2.386 1.00 0.00 C ATOM 224 CZ TYR A 15 8.254 -3.562 3.581 1.00 0.00 C ATOM 225 OH TYR A 15 8.431 -4.905 3.786 1.00 0.00 O ATOM 0 H TYR A 15 8.344 3.062 1.693 1.00 0.00 H new ATOM 0 HA TYR A 15 9.680 1.288 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.236 1.094 3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.078 0.838 2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.694 -0.632 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.163 -1.398 1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.997 -3.036 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.465 -3.813 1.611 1.00 0.00 H new ATOM 0 HH TYR A 15 8.421 -5.372 2.924 1.00 0.00 H new ATOM 235 N THR A 16 10.903 0.269 1.765 1.00 0.00 N ATOM 236 CA THR A 16 11.623 -0.388 0.722 1.00 0.00 C ATOM 237 C THR A 16 11.384 -1.884 0.859 1.00 0.00 C ATOM 238 O THR A 16 11.653 -2.462 1.922 1.00 0.00 O ATOM 239 CB THR A 16 13.135 -0.088 0.829 1.00 0.00 C ATOM 240 OG1 THR A 16 13.333 1.341 0.892 1.00 0.00 O ATOM 241 CG2 THR A 16 13.883 -0.644 -0.380 1.00 0.00 C ATOM 0 H THR A 16 11.358 0.233 2.677 1.00 0.00 H new ATOM 0 HA THR A 16 11.278 -0.029 -0.248 1.00 0.00 H new ATOM 0 HB THR A 16 13.522 -0.563 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.291 1.536 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.946 -0.422 -0.284 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.741 -1.724 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.497 -0.184 -1.290 1.00 0.00 H new ATOM 249 N GLY A 17 10.831 -2.488 -0.166 1.00 0.00 N ATOM 250 CA GLY A 17 10.600 -3.892 -0.140 1.00 0.00 C ATOM 251 C GLY A 17 11.885 -4.685 -0.195 1.00 0.00 C ATOM 252 O GLY A 17 12.840 -4.286 -0.882 1.00 0.00 O ATOM 0 H GLY A 17 10.537 -2.020 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.054 -4.152 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.968 -4.170 -0.983 1.00 0.00 H new ATOM 256 N THR A 18 11.920 -5.787 0.520 1.00 0.00 N ATOM 257 CA THR A 18 13.069 -6.658 0.536 1.00 0.00 C ATOM 258 C THR A 18 12.964 -7.606 -0.641 1.00 0.00 C ATOM 259 O THR A 18 13.950 -7.986 -1.279 1.00 0.00 O ATOM 260 CB THR A 18 13.169 -7.421 1.882 1.00 0.00 C ATOM 261 OG1 THR A 18 11.871 -7.931 2.288 1.00 0.00 O ATOM 262 CG2 THR A 18 13.718 -6.516 2.974 1.00 0.00 C ATOM 0 H THR A 18 11.149 -6.104 1.108 1.00 0.00 H new ATOM 0 HA THR A 18 13.983 -6.072 0.445 1.00 0.00 H new ATOM 0 HB THR A 18 13.849 -8.260 1.735 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.276 -7.968 1.510 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.780 -7.071 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.712 -6.168 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.056 -5.659 3.103 1.00 0.00 H new ATOM 270 N ASN A 19 11.749 -7.934 -0.935 1.00 0.00 N ATOM 271 CA ASN A 19 11.381 -8.701 -2.071 1.00 0.00 C ATOM 272 C ASN A 19 10.812 -7.712 -3.050 1.00 0.00 C ATOM 273 O ASN A 19 10.382 -6.641 -2.642 1.00 0.00 O ATOM 274 CB ASN A 19 10.291 -9.711 -1.690 1.00 0.00 C ATOM 275 CG ASN A 19 10.736 -10.764 -0.687 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.225 -11.828 -1.046 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.569 -10.481 0.567 1.00 0.00 N ATOM 0 H ASN A 19 10.952 -7.660 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 19 12.229 -9.253 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.439 -9.170 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.944 -10.211 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.847 -11.152 1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.159 -9.587 0.838 1.00 0.00 H new ATOM 284 N GLU A 20 10.784 -8.030 -4.309 1.00 0.00 N ATOM 285 CA GLU A 20 10.218 -7.097 -5.262 1.00 0.00 C ATOM 286 C GLU A 20 8.739 -7.382 -5.482 1.00 0.00 C ATOM 287 O GLU A 20 8.083 -6.778 -6.330 1.00 0.00 O ATOM 288 CB GLU A 20 11.018 -7.015 -6.563 1.00 0.00 C ATOM 289 CG GLU A 20 11.169 -8.307 -7.333 1.00 0.00 C ATOM 290 CD GLU A 20 11.970 -8.092 -8.583 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.397 -7.668 -9.609 1.00 0.00 O ATOM 292 OE2 GLU A 20 13.197 -8.310 -8.561 1.00 0.00 O ATOM 0 H GLU A 20 11.134 -8.903 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 20 10.292 -6.099 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.541 -6.282 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.013 -6.636 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.657 -9.054 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.185 -8.700 -7.589 1.00 0.00 H new ATOM 299 N ASP A 21 8.229 -8.323 -4.696 1.00 0.00 N ATOM 300 CA ASP A 21 6.798 -8.582 -4.629 1.00 0.00 C ATOM 301 C ASP A 21 6.211 -7.531 -3.693 1.00 0.00 C ATOM 302 O ASP A 21 5.016 -7.234 -3.699 1.00 0.00 O ATOM 303 CB ASP A 21 6.519 -9.991 -4.102 1.00 0.00 C ATOM 304 CG ASP A 21 5.063 -10.381 -4.246 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.631 -10.662 -5.387 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.322 -10.422 -3.242 1.00 0.00 O ATOM 0 H ASP A 21 8.791 -8.923 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 21 6.347 -8.524 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.140 -10.707 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.806 -10.047 -3.052 1.00 0.00 H new ATOM 311 N GLU A 22 7.105 -6.980 -2.891 1.00 0.00 N ATOM 312 CA GLU A 22 6.853 -5.850 -2.040 1.00 0.00 C ATOM 313 C GLU A 22 6.976 -4.623 -2.893 1.00 0.00 C ATOM 314 O GLU A 22 7.618 -4.664 -3.948 1.00 0.00 O ATOM 315 CB GLU A 22 7.907 -5.780 -0.954 1.00 0.00 C ATOM 316 CG GLU A 22 7.720 -6.722 0.196 1.00 0.00 C ATOM 317 CD GLU A 22 8.989 -6.930 0.971 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.408 -6.050 1.702 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.608 -7.989 0.843 1.00 0.00 O ATOM 0 H GLU A 22 8.061 -7.327 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 22 5.868 -5.931 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.880 -5.975 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.934 -4.762 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.950 -6.332 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.363 -7.682 -0.177 1.00 0.00 H new ATOM 326 N LEU A 23 6.411 -3.552 -2.473 1.00 0.00 N ATOM 327 CA LEU A 23 6.485 -2.379 -3.269 1.00 0.00 C ATOM 328 C LEU A 23 7.152 -1.292 -2.463 1.00 0.00 C ATOM 329 O LEU A 23 6.869 -1.122 -1.277 1.00 0.00 O ATOM 330 CB LEU A 23 5.083 -1.987 -3.733 1.00 0.00 C ATOM 331 CG LEU A 23 4.945 -1.278 -5.097 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.571 0.108 -5.122 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.507 -2.140 -6.217 1.00 0.00 C ATOM 0 H LEU A 23 5.899 -3.460 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 23 7.082 -2.550 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.476 -2.892 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.649 -1.337 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 23 3.876 -1.137 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.438 0.549 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.089 0.739 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.635 0.031 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.398 -1.618 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.563 -2.336 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.964 -3.084 -6.257 1.00 0.00 H new ATOM 345 N THR A 24 8.039 -0.591 -3.091 1.00 0.00 N ATOM 346 CA THR A 24 8.768 0.455 -2.445 1.00 0.00 C ATOM 347 C THR A 24 8.017 1.787 -2.576 1.00 0.00 C ATOM 348 O THR A 24 7.737 2.263 -3.685 1.00 0.00 O ATOM 349 CB THR A 24 10.215 0.541 -3.006 1.00 0.00 C ATOM 350 OG1 THR A 24 10.912 -0.700 -2.728 1.00 0.00 O ATOM 351 CG2 THR A 24 10.993 1.715 -2.407 1.00 0.00 C ATOM 0 H THR A 24 8.281 -0.728 -4.072 1.00 0.00 H new ATOM 0 HA THR A 24 8.849 0.228 -1.382 1.00 0.00 H new ATOM 0 HB THR A 24 10.149 0.705 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.824 -0.649 -3.082 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.999 1.737 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.481 2.648 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.054 1.597 -1.325 1.00 0.00 H new ATOM 359 N PHE A 25 7.692 2.364 -1.449 1.00 0.00 N ATOM 360 CA PHE A 25 6.947 3.597 -1.393 1.00 0.00 C ATOM 361 C PHE A 25 7.746 4.637 -0.644 1.00 0.00 C ATOM 362 O PHE A 25 8.633 4.301 0.131 1.00 0.00 O ATOM 363 CB PHE A 25 5.614 3.402 -0.670 1.00 0.00 C ATOM 364 CG PHE A 25 4.696 2.375 -1.268 1.00 0.00 C ATOM 365 CD1 PHE A 25 3.937 2.672 -2.378 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.584 1.117 -0.705 1.00 0.00 C ATOM 367 CE1 PHE A 25 3.084 1.733 -2.924 1.00 0.00 C ATOM 368 CE2 PHE A 25 3.732 0.178 -1.246 1.00 0.00 C ATOM 369 CZ PHE A 25 2.981 0.487 -2.356 1.00 0.00 C ATOM 0 H PHE A 25 7.939 1.988 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 25 6.756 3.921 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.819 3.122 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.092 4.359 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.010 3.651 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.170 0.868 0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.498 1.979 -3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.654 -0.801 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.312 -0.248 -2.780 1.00 0.00 H new ATOM 379 N ARG A 26 7.420 5.878 -0.864 1.00 0.00 N ATOM 380 CA ARG A 26 8.053 6.988 -0.228 1.00 0.00 C ATOM 381 C ARG A 26 6.998 7.714 0.607 1.00 0.00 C ATOM 382 O ARG A 26 5.822 7.447 0.455 1.00 0.00 O ATOM 383 CB ARG A 26 8.605 7.903 -1.329 1.00 0.00 C ATOM 384 CG ARG A 26 9.145 9.226 -0.863 1.00 0.00 C ATOM 385 CD ARG A 26 9.593 10.076 -2.025 1.00 0.00 C ATOM 386 NE ARG A 26 8.522 10.282 -3.004 1.00 0.00 N ATOM 387 CZ ARG A 26 8.717 10.524 -4.294 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.948 10.737 -4.761 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.680 10.566 -5.110 1.00 0.00 N ATOM 0 H ARG A 26 6.682 6.150 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 26 8.870 6.678 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.399 7.372 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.812 8.089 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.378 9.755 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.983 9.061 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.936 11.042 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.444 9.601 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 26 7.559 10.236 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.746 10.714 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.092 10.923 -5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.739 10.413 -4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.820 10.751 -6.103 1.00 0.00 H new ATOM 403 N GLU A 27 7.425 8.574 1.485 1.00 0.00 N ATOM 404 CA GLU A 27 6.544 9.415 2.274 1.00 0.00 C ATOM 405 C GLU A 27 5.723 10.331 1.350 1.00 0.00 C ATOM 406 O GLU A 27 6.286 11.038 0.489 1.00 0.00 O ATOM 407 CB GLU A 27 7.409 10.244 3.236 1.00 0.00 C ATOM 408 CG GLU A 27 6.772 11.504 3.817 1.00 0.00 C ATOM 409 CD GLU A 27 5.661 11.244 4.788 1.00 0.00 C ATOM 410 OE1 GLU A 27 5.966 10.973 5.963 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.482 11.355 4.411 1.00 0.00 O ATOM 0 H GLU A 27 8.415 8.721 1.684 1.00 0.00 H new ATOM 0 HA GLU A 27 5.844 8.804 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.709 9.601 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.319 10.534 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.544 12.090 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.388 12.113 2.999 1.00 0.00 H new ATOM 418 N GLY A 28 4.416 10.274 1.497 1.00 0.00 N ATOM 419 CA GLY A 28 3.556 11.156 0.748 1.00 0.00 C ATOM 420 C GLY A 28 3.059 10.572 -0.552 1.00 0.00 C ATOM 421 O GLY A 28 2.498 11.293 -1.381 1.00 0.00 O ATOM 0 H GLY A 28 3.932 9.631 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.699 11.422 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.095 12.079 0.537 1.00 0.00 H new ATOM 425 N GLU A 29 3.224 9.288 -0.738 1.00 0.00 N ATOM 426 CA GLU A 29 2.760 8.676 -1.955 1.00 0.00 C ATOM 427 C GLU A 29 1.356 8.164 -1.740 1.00 0.00 C ATOM 428 O GLU A 29 1.004 7.740 -0.628 1.00 0.00 O ATOM 429 CB GLU A 29 3.669 7.524 -2.406 1.00 0.00 C ATOM 430 CG GLU A 29 5.135 7.892 -2.588 1.00 0.00 C ATOM 431 CD GLU A 29 5.362 9.101 -3.458 1.00 0.00 C ATOM 432 OE1 GLU A 29 5.180 9.024 -4.678 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.788 10.145 -2.939 1.00 0.00 O ATOM 0 H GLU A 29 3.669 8.655 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 29 2.777 9.429 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.601 6.720 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.290 7.130 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.577 8.074 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.661 7.042 -3.022 1.00 0.00 H new ATOM 440 N ILE A 30 0.554 8.246 -2.761 1.00 0.00 N ATOM 441 CA ILE A 30 -0.789 7.755 -2.702 1.00 0.00 C ATOM 442 C ILE A 30 -0.830 6.390 -3.345 1.00 0.00 C ATOM 443 O ILE A 30 -0.407 6.204 -4.493 1.00 0.00 O ATOM 444 CB ILE A 30 -1.806 8.718 -3.382 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.843 10.071 -2.646 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.206 8.104 -3.442 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.288 9.996 -1.192 1.00 0.00 C ATOM 0 H ILE A 30 0.814 8.656 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.088 7.689 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.471 8.884 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.849 10.517 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.514 10.742 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.890 8.804 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.173 7.177 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.554 7.893 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.283 10.996 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.296 9.584 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.605 9.355 -0.635 1.00 0.00 H new ATOM 459 N ILE A 31 -1.292 5.455 -2.609 1.00 0.00 N ATOM 460 CA ILE A 31 -1.360 4.105 -3.036 1.00 0.00 C ATOM 461 C ILE A 31 -2.801 3.778 -3.313 1.00 0.00 C ATOM 462 O ILE A 31 -3.679 4.151 -2.524 1.00 0.00 O ATOM 463 CB ILE A 31 -0.890 3.160 -1.905 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.475 3.571 -1.358 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.841 1.721 -2.394 1.00 0.00 C ATOM 466 CD1 ILE A 31 0.914 2.741 -0.172 1.00 0.00 C ATOM 0 H ILE A 31 -1.645 5.607 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.730 3.976 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.616 3.237 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.218 3.483 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.442 4.621 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.508 1.072 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.835 1.413 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.145 1.644 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.891 3.083 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.189 2.848 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.978 1.693 -0.465 1.00 0.00 H new ATOM 478 N HIS A 32 -3.067 3.121 -4.409 1.00 0.00 N ATOM 479 CA HIS A 32 -4.386 2.638 -4.629 1.00 0.00 C ATOM 480 C HIS A 32 -4.416 1.262 -4.028 1.00 0.00 C ATOM 481 O HIS A 32 -3.629 0.384 -4.418 1.00 0.00 O ATOM 482 CB HIS A 32 -4.774 2.608 -6.121 1.00 0.00 C ATOM 483 CG HIS A 32 -6.221 2.228 -6.347 1.00 0.00 C ATOM 484 ND1 HIS A 32 -6.673 1.449 -7.390 1.00 0.00 N ATOM 485 CD2 HIS A 32 -7.327 2.562 -5.632 1.00 0.00 C ATOM 486 CE1 HIS A 32 -8.000 1.334 -7.273 1.00 0.00 C ATOM 487 NE2 HIS A 32 -8.445 1.995 -6.219 1.00 0.00 N ATOM 0 H HIS A 32 -2.395 2.914 -5.148 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.117 3.302 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.589 3.589 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.132 1.899 -6.644 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -6.097 1.033 -8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.333 3.175 -4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.626 0.774 -7.951 1.00 0.00 H new ATOM 495 N LEU A 33 -5.247 1.105 -3.049 1.00 0.00 N ATOM 496 CA LEU A 33 -5.342 -0.101 -2.300 1.00 0.00 C ATOM 497 C LEU A 33 -6.038 -1.149 -3.149 1.00 0.00 C ATOM 498 O LEU A 33 -7.170 -0.964 -3.583 1.00 0.00 O ATOM 499 CB LEU A 33 -6.077 0.204 -0.977 1.00 0.00 C ATOM 500 CG LEU A 33 -6.092 -0.861 0.123 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.572 -0.222 1.405 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.016 -2.008 -0.227 1.00 0.00 C ATOM 0 H LEU A 33 -5.894 1.832 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.362 -0.502 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.636 1.107 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.113 0.440 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.083 -1.258 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.589 -0.968 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.898 0.588 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.576 0.175 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.002 -2.745 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.031 -1.631 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.682 -2.475 -1.154 1.00 0.00 H new ATOM 514 N ILE A 34 -5.340 -2.220 -3.393 1.00 0.00 N ATOM 515 CA ILE A 34 -5.817 -3.285 -4.231 1.00 0.00 C ATOM 516 C ILE A 34 -6.512 -4.350 -3.392 1.00 0.00 C ATOM 517 O ILE A 34 -7.549 -4.878 -3.782 1.00 0.00 O ATOM 518 CB ILE A 34 -4.640 -3.915 -5.040 1.00 0.00 C ATOM 519 CG1 ILE A 34 -3.964 -2.867 -5.950 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.090 -5.117 -5.850 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.888 -2.221 -6.978 1.00 0.00 C ATOM 0 H ILE A 34 -4.409 -2.382 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.538 -2.871 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.905 -4.263 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.537 -2.084 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.136 -3.343 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.241 -5.525 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.489 -5.878 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.864 -4.812 -6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.325 -1.500 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.296 -2.990 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.704 -1.712 -6.465 1.00 0.00 H new ATOM 533 N SER A 35 -5.957 -4.656 -2.237 1.00 0.00 N ATOM 534 CA SER A 35 -6.555 -5.650 -1.390 1.00 0.00 C ATOM 535 C SER A 35 -6.053 -5.524 0.036 1.00 0.00 C ATOM 536 O SER A 35 -4.892 -5.169 0.270 1.00 0.00 O ATOM 537 CB SER A 35 -6.266 -7.064 -1.928 1.00 0.00 C ATOM 538 OG SER A 35 -6.962 -8.055 -1.178 1.00 0.00 O ATOM 0 H SER A 35 -5.103 -4.233 -1.872 1.00 0.00 H new ATOM 0 HA SER A 35 -7.632 -5.485 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.561 -7.124 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.194 -7.259 -1.887 1.00 0.00 H new ATOM 0 HG SER A 35 -6.326 -8.727 -0.854 1.00 0.00 H new ATOM 544 N LYS A 36 -6.947 -5.794 0.977 1.00 0.00 N ATOM 545 CA LYS A 36 -6.624 -5.851 2.397 1.00 0.00 C ATOM 546 C LYS A 36 -6.478 -7.307 2.796 1.00 0.00 C ATOM 547 O LYS A 36 -6.280 -7.641 3.963 1.00 0.00 O ATOM 548 CB LYS A 36 -7.734 -5.181 3.233 1.00 0.00 C ATOM 549 CG LYS A 36 -7.763 -3.668 3.128 1.00 0.00 C ATOM 550 CD LYS A 36 -8.982 -3.058 3.791 1.00 0.00 C ATOM 551 CE LYS A 36 -8.944 -1.550 3.648 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.159 -0.891 4.142 1.00 0.00 N ATOM 0 H LYS A 36 -7.929 -5.982 0.774 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.693 -5.315 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.700 -5.575 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.604 -5.459 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.863 -3.259 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.744 -3.381 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.890 -3.453 3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.009 -3.332 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.082 -1.162 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.801 -1.295 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.898 -0.046 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.754 -0.611 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.687 -1.548 4.751 1.00 0.00 H new ATOM 566 N GLU A 37 -6.579 -8.165 1.806 1.00 0.00 N ATOM 567 CA GLU A 37 -6.496 -9.573 2.000 1.00 0.00 C ATOM 568 C GLU A 37 -5.338 -10.105 1.173 1.00 0.00 C ATOM 569 O GLU A 37 -5.419 -10.190 -0.064 1.00 0.00 O ATOM 570 CB GLU A 37 -7.799 -10.233 1.544 1.00 0.00 C ATOM 571 CG GLU A 37 -7.916 -11.698 1.887 1.00 0.00 C ATOM 572 CD GLU A 37 -8.013 -11.920 3.366 1.00 0.00 C ATOM 573 OE1 GLU A 37 -9.148 -11.898 3.907 1.00 0.00 O ATOM 574 OE2 GLU A 37 -6.972 -12.139 4.021 1.00 0.00 O ATOM 0 H GLU A 37 -6.723 -7.889 0.835 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.337 -9.797 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.637 -9.700 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.890 -10.118 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.796 -12.116 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.050 -12.233 1.496 1.00 0.00 H new ATOM 581 N THR A 38 -4.246 -10.375 1.819 1.00 0.00 N ATOM 582 CA THR A 38 -3.109 -10.965 1.147 1.00 0.00 C ATOM 583 C THR A 38 -2.860 -12.343 1.736 1.00 0.00 C ATOM 584 O THR A 38 -1.869 -13.022 1.423 1.00 0.00 O ATOM 585 CB THR A 38 -1.852 -10.085 1.326 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.600 -9.877 2.735 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.027 -8.739 0.633 1.00 0.00 C ATOM 0 H THR A 38 -4.109 -10.199 2.814 1.00 0.00 H new ATOM 0 HA THR A 38 -3.320 -11.043 0.080 1.00 0.00 H new ATOM 0 HB THR A 38 -1.004 -10.599 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.935 -8.995 3.001 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.129 -8.138 0.774 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.195 -8.897 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.883 -8.218 1.061 1.00 0.00 H new ATOM 595 N GLY A 39 -3.790 -12.751 2.582 1.00 0.00 N ATOM 596 CA GLY A 39 -3.642 -13.955 3.345 1.00 0.00 C ATOM 597 C GLY A 39 -3.253 -13.589 4.752 1.00 0.00 C ATOM 598 O GLY A 39 -3.397 -14.372 5.691 1.00 0.00 O ATOM 0 H GLY A 39 -4.663 -12.251 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.575 -14.519 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.882 -14.595 2.897 1.00 0.00 H new ATOM 602 N GLU A 40 -2.789 -12.366 4.898 1.00 0.00 N ATOM 603 CA GLU A 40 -2.368 -11.834 6.159 1.00 0.00 C ATOM 604 C GLU A 40 -3.162 -10.598 6.495 1.00 0.00 C ATOM 605 O GLU A 40 -3.608 -9.881 5.597 1.00 0.00 O ATOM 606 CB GLU A 40 -0.896 -11.453 6.116 1.00 0.00 C ATOM 607 CG GLU A 40 0.059 -12.600 5.887 1.00 0.00 C ATOM 608 CD GLU A 40 1.488 -12.146 5.951 1.00 0.00 C ATOM 609 OE1 GLU A 40 2.022 -12.033 7.066 1.00 0.00 O ATOM 610 OE2 GLU A 40 2.098 -11.894 4.895 1.00 0.00 O ATOM 0 H GLU A 40 -2.696 -11.708 4.124 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.530 -12.603 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.751 -10.717 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.636 -10.967 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.112 -13.373 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.138 -13.050 4.914 1.00 0.00 H new ATOM 617 N ALA A 41 -3.329 -10.354 7.765 1.00 0.00 N ATOM 618 CA ALA A 41 -3.949 -9.148 8.238 1.00 0.00 C ATOM 619 C ALA A 41 -2.842 -8.238 8.723 1.00 0.00 C ATOM 620 O ALA A 41 -2.291 -8.431 9.815 1.00 0.00 O ATOM 621 CB ALA A 41 -4.941 -9.439 9.353 1.00 0.00 C ATOM 0 H ALA A 41 -3.037 -10.991 8.506 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.514 -8.673 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.394 -8.506 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.719 -10.107 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.423 -9.913 10.187 1.00 0.00 H new ATOM 627 N GLY A 42 -2.472 -7.309 7.892 1.00 0.00 N ATOM 628 CA GLY A 42 -1.376 -6.422 8.192 1.00 0.00 C ATOM 629 C GLY A 42 -0.686 -6.038 6.928 1.00 0.00 C ATOM 630 O GLY A 42 -0.283 -4.903 6.745 1.00 0.00 O ATOM 0 H GLY A 42 -2.916 -7.141 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.744 -5.532 8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.674 -6.910 8.868 1.00 0.00 H new ATOM 634 N TRP A 43 -0.567 -6.992 6.050 1.00 0.00 N ATOM 635 CA TRP A 43 0.007 -6.762 4.758 1.00 0.00 C ATOM 636 C TRP A 43 -1.087 -6.507 3.758 1.00 0.00 C ATOM 637 O TRP A 43 -1.976 -7.344 3.562 1.00 0.00 O ATOM 638 CB TRP A 43 0.876 -7.940 4.314 1.00 0.00 C ATOM 639 CG TRP A 43 2.173 -8.053 5.055 1.00 0.00 C ATOM 640 CD1 TRP A 43 2.379 -8.593 6.292 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.453 -7.620 4.589 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.709 -8.515 6.619 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.388 -7.924 5.593 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.899 -7.004 3.420 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.741 -7.636 5.461 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.239 -6.718 3.290 1.00 0.00 C ATOM 647 CH2 TRP A 43 6.146 -7.033 4.306 1.00 0.00 C ATOM 0 H TRP A 43 -0.867 -7.954 6.212 1.00 0.00 H new ATOM 0 HA TRP A 43 0.652 -5.885 4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.313 -8.864 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.085 -7.843 3.249 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.610 -9.018 6.919 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.124 -8.846 7.490 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.205 -6.756 2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.445 -7.880 6.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.596 -6.242 2.388 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.191 -6.794 4.174 1.00 0.00 H new ATOM 658 N TRP A 44 -1.047 -5.362 3.167 1.00 0.00 N ATOM 659 CA TRP A 44 -1.997 -4.973 2.170 1.00 0.00 C ATOM 660 C TRP A 44 -1.318 -4.951 0.830 1.00 0.00 C ATOM 661 O TRP A 44 -0.089 -4.880 0.753 1.00 0.00 O ATOM 662 CB TRP A 44 -2.588 -3.589 2.469 1.00 0.00 C ATOM 663 CG TRP A 44 -3.533 -3.543 3.634 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.987 -4.594 4.374 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.169 -2.378 4.168 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.858 -4.157 5.325 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.987 -2.803 5.228 1.00 0.00 C ATOM 668 CE3 TRP A 44 -4.120 -1.018 3.857 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.757 -1.922 5.973 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.888 -0.142 4.598 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.694 -0.600 5.644 1.00 0.00 C ATOM 0 H TRP A 44 -0.341 -4.653 3.364 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.814 -5.694 2.170 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.770 -2.893 2.656 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.111 -3.234 1.581 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.698 -5.624 4.227 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.338 -4.749 6.003 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.494 -0.659 3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.382 -2.269 6.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.866 0.913 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.282 0.111 6.206 1.00 0.00 H new ATOM 682 N LYS A 45 -2.092 -5.032 -0.207 1.00 0.00 N ATOM 683 CA LYS A 45 -1.566 -4.963 -1.532 1.00 0.00 C ATOM 684 C LYS A 45 -1.971 -3.626 -2.109 1.00 0.00 C ATOM 685 O LYS A 45 -3.154 -3.251 -2.048 1.00 0.00 O ATOM 686 CB LYS A 45 -2.105 -6.111 -2.406 1.00 0.00 C ATOM 687 CG LYS A 45 -1.465 -6.193 -3.787 1.00 0.00 C ATOM 688 CD LYS A 45 -2.095 -7.276 -4.646 1.00 0.00 C ATOM 689 CE LYS A 45 -1.385 -7.380 -5.987 1.00 0.00 C ATOM 690 NZ LYS A 45 -2.039 -8.334 -6.909 1.00 0.00 N ATOM 0 H LYS A 45 -3.104 -5.148 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.481 -5.063 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.945 -7.056 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.182 -5.990 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.563 -5.230 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.398 -6.390 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.045 -8.233 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.150 -7.054 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.353 -6.395 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.353 -7.689 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.420 -9.157 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.942 -8.648 -6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.215 -7.869 -7.822 1.00 0.00 H new ATOM 704 N GLY A 46 -1.030 -2.921 -2.646 1.00 0.00 N ATOM 705 CA GLY A 46 -1.293 -1.631 -3.187 1.00 0.00 C ATOM 706 C GLY A 46 -0.573 -1.438 -4.474 1.00 0.00 C ATOM 707 O GLY A 46 0.406 -2.140 -4.747 1.00 0.00 O ATOM 0 H GLY A 46 -0.059 -3.224 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.365 -1.510 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.986 -0.864 -2.476 1.00 0.00 H new ATOM 711 N GLU A 47 -1.035 -0.511 -5.256 1.00 0.00 N ATOM 712 CA GLU A 47 -0.469 -0.261 -6.546 1.00 0.00 C ATOM 713 C GLU A 47 -0.022 1.193 -6.665 1.00 0.00 C ATOM 714 O GLU A 47 -0.729 2.123 -6.218 1.00 0.00 O ATOM 715 CB GLU A 47 -1.498 -0.681 -7.619 1.00 0.00 C ATOM 716 CG GLU A 47 -1.049 -0.605 -9.071 1.00 0.00 C ATOM 717 CD GLU A 47 -1.352 0.711 -9.714 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.475 0.870 -10.225 1.00 0.00 O ATOM 719 OE2 GLU A 47 -0.490 1.597 -9.746 1.00 0.00 O ATOM 0 H GLU A 47 -1.819 0.096 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 47 0.432 -0.855 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.805 -1.706 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.383 -0.055 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.024 -0.789 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.536 -1.399 -9.637 1.00 0.00 H new ATOM 726 N LEU A 48 1.162 1.371 -7.207 1.00 0.00 N ATOM 727 CA LEU A 48 1.750 2.664 -7.455 1.00 0.00 C ATOM 728 C LEU A 48 2.435 2.641 -8.813 1.00 0.00 C ATOM 729 O LEU A 48 3.275 1.778 -9.072 1.00 0.00 O ATOM 730 CB LEU A 48 2.779 3.018 -6.365 1.00 0.00 C ATOM 731 CG LEU A 48 3.538 4.351 -6.538 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.594 5.539 -6.428 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.673 4.469 -5.528 1.00 0.00 C ATOM 0 H LEU A 48 1.758 0.595 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 48 0.964 3.419 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.264 3.041 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.512 2.213 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 48 3.972 4.357 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.157 6.464 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.831 5.470 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.117 5.535 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.191 5.417 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.267 4.427 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.374 3.647 -5.671 1.00 0.00 H new ATOM 745 N ASN A 49 2.018 3.548 -9.696 1.00 0.00 N ATOM 746 CA ASN A 49 2.626 3.753 -11.038 1.00 0.00 C ATOM 747 C ASN A 49 2.368 2.587 -11.978 1.00 0.00 C ATOM 748 O ASN A 49 2.952 2.518 -13.065 1.00 0.00 O ATOM 749 CB ASN A 49 4.149 3.998 -10.953 1.00 0.00 C ATOM 750 CG ASN A 49 4.551 5.213 -10.141 1.00 0.00 C ATOM 751 OD1 ASN A 49 3.749 6.245 -10.150 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 5.603 5.217 -9.518 1.00 0.00 N flip ATOM 0 H ASN A 49 1.237 4.177 -9.509 1.00 0.00 H new ATOM 0 HA ASN A 49 2.141 4.642 -11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.621 3.116 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.543 4.107 -11.964 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.207 4.395 -9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.877 6.042 -8.985 1.00 0.00 H new ATOM 759 N GLY A 50 1.488 1.705 -11.596 1.00 0.00 N ATOM 760 CA GLY A 50 1.216 0.545 -12.394 1.00 0.00 C ATOM 761 C GLY A 50 1.825 -0.691 -11.787 1.00 0.00 C ATOM 762 O GLY A 50 1.571 -1.807 -12.234 1.00 0.00 O ATOM 0 H GLY A 50 0.946 1.768 -10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.138 0.412 -12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.611 0.692 -13.399 1.00 0.00 H new ATOM 766 N LYS A 51 2.620 -0.501 -10.762 1.00 0.00 N ATOM 767 CA LYS A 51 3.269 -1.601 -10.098 1.00 0.00 C ATOM 768 C LYS A 51 2.551 -1.895 -8.817 1.00 0.00 C ATOM 769 O LYS A 51 2.286 -0.994 -8.026 1.00 0.00 O ATOM 770 CB LYS A 51 4.756 -1.329 -9.817 1.00 0.00 C ATOM 771 CG LYS A 51 5.649 -1.205 -11.049 1.00 0.00 C ATOM 772 CD LYS A 51 5.414 0.087 -11.821 1.00 0.00 C ATOM 773 CE LYS A 51 6.286 0.177 -13.058 1.00 0.00 C ATOM 774 NZ LYS A 51 6.072 -0.961 -13.987 1.00 0.00 N ATOM 0 H LYS A 51 2.833 0.415 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 51 3.226 -2.462 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.835 -0.408 -9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.142 -2.133 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.694 -1.254 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.471 -2.054 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.365 0.150 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.617 0.939 -11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.077 1.111 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.334 0.206 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.501 -0.742 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.513 -1.817 -13.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.052 -1.122 -14.109 1.00 0.00 H new ATOM 788 N GLU A 52 2.247 -3.124 -8.608 1.00 0.00 N ATOM 789 CA GLU A 52 1.497 -3.512 -7.447 1.00 0.00 C ATOM 790 C GLU A 52 2.261 -4.491 -6.612 1.00 0.00 C ATOM 791 O GLU A 52 2.878 -5.430 -7.126 1.00 0.00 O ATOM 792 CB GLU A 52 0.099 -4.017 -7.824 1.00 0.00 C ATOM 793 CG GLU A 52 0.082 -5.131 -8.844 1.00 0.00 C ATOM 794 CD GLU A 52 -1.294 -5.371 -9.386 1.00 0.00 C ATOM 795 OE1 GLU A 52 -1.690 -4.671 -10.344 1.00 0.00 O ATOM 796 OE2 GLU A 52 -2.016 -6.259 -8.882 1.00 0.00 O ATOM 0 H GLU A 52 2.504 -3.893 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 52 1.346 -2.626 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.403 -4.363 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.482 -3.180 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.757 -4.883 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.457 -6.047 -8.388 1.00 0.00 H new ATOM 803 N GLY A 53 2.251 -4.260 -5.348 1.00 0.00 N ATOM 804 CA GLY A 53 2.956 -5.097 -4.450 1.00 0.00 C ATOM 805 C GLY A 53 2.331 -5.072 -3.101 1.00 0.00 C ATOM 806 O GLY A 53 1.228 -4.544 -2.937 1.00 0.00 O ATOM 0 H GLY A 53 1.754 -3.485 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.968 -6.118 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.994 -4.771 -4.381 1.00 0.00 H new ATOM 810 N VAL A 54 3.022 -5.586 -2.143 1.00 0.00 N ATOM 811 CA VAL A 54 2.511 -5.668 -0.792 1.00 0.00 C ATOM 812 C VAL A 54 3.326 -4.817 0.149 1.00 0.00 C ATOM 813 O VAL A 54 4.508 -4.530 -0.114 1.00 0.00 O ATOM 814 CB VAL A 54 2.433 -7.129 -0.256 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.390 -7.931 -1.020 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.792 -7.820 -0.328 1.00 0.00 C ATOM 0 H VAL A 54 3.961 -5.966 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 54 1.491 -5.285 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 54 2.134 -7.079 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.354 -8.947 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.413 -7.462 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.655 -7.959 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.704 -8.837 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.131 -7.849 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.513 -7.268 0.275 1.00 0.00 H new ATOM 826 N PHE A 55 2.688 -4.386 1.208 1.00 0.00 N ATOM 827 CA PHE A 55 3.291 -3.537 2.197 1.00 0.00 C ATOM 828 C PHE A 55 2.520 -3.695 3.509 1.00 0.00 C ATOM 829 O PHE A 55 1.334 -4.035 3.480 1.00 0.00 O ATOM 830 CB PHE A 55 3.231 -2.065 1.720 1.00 0.00 C ATOM 831 CG PHE A 55 1.825 -1.488 1.601 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.063 -1.705 0.463 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.275 -0.738 2.631 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.211 -1.189 0.358 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.000 -0.221 2.526 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.743 -0.448 1.390 1.00 0.00 C ATOM 0 H PHE A 55 1.716 -4.622 1.408 1.00 0.00 H new ATOM 0 HA PHE A 55 4.334 -3.815 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.804 -1.449 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.722 -1.992 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.472 -2.285 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.852 -0.557 3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.793 -1.366 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.415 0.362 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.742 -0.046 1.308 1.00 0.00 H new ATOM 846 N PRO A 56 3.159 -3.514 4.667 1.00 0.00 N ATOM 847 CA PRO A 56 2.451 -3.518 5.934 1.00 0.00 C ATOM 848 C PRO A 56 1.689 -2.199 6.106 1.00 0.00 C ATOM 849 O PRO A 56 2.240 -1.112 5.833 1.00 0.00 O ATOM 850 CB PRO A 56 3.567 -3.636 6.987 1.00 0.00 C ATOM 851 CG PRO A 56 4.826 -3.887 6.218 1.00 0.00 C ATOM 852 CD PRO A 56 4.599 -3.320 4.852 1.00 0.00 C ATOM 0 HA PRO A 56 1.719 -4.322 6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.645 -2.724 7.578 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.364 -4.450 7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.679 -3.410 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.044 -4.954 6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.878 -2.268 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.180 -3.843 4.093 1.00 0.00 H new ATOM 860 N ASP A 57 0.445 -2.278 6.577 1.00 0.00 N ATOM 861 CA ASP A 57 -0.420 -1.083 6.723 1.00 0.00 C ATOM 862 C ASP A 57 0.155 -0.122 7.756 1.00 0.00 C ATOM 863 O ASP A 57 -0.224 1.028 7.820 1.00 0.00 O ATOM 864 CB ASP A 57 -1.887 -1.434 7.099 1.00 0.00 C ATOM 865 CG ASP A 57 -2.126 -1.642 8.590 1.00 0.00 C ATOM 866 OD1 ASP A 57 -2.428 -0.656 9.299 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.031 -2.790 9.076 1.00 0.00 O ATOM 0 H ASP A 57 0.004 -3.151 6.867 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.441 -0.605 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.540 -0.635 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.178 -2.340 6.568 1.00 0.00 H new ATOM 872 N ASN A 58 1.074 -0.615 8.559 1.00 0.00 N ATOM 873 CA ASN A 58 1.788 0.149 9.544 1.00 0.00 C ATOM 874 C ASN A 58 2.451 1.399 8.926 1.00 0.00 C ATOM 875 O ASN A 58 2.593 2.435 9.578 1.00 0.00 O ATOM 876 CB ASN A 58 2.863 -0.752 10.106 1.00 0.00 C ATOM 877 CG ASN A 58 3.459 -0.224 11.352 1.00 0.00 C ATOM 878 OD1 ASN A 58 4.437 0.506 11.337 1.00 0.00 O ATOM 879 ND2 ASN A 58 2.882 -0.603 12.436 1.00 0.00 N ATOM 0 H ASN A 58 1.350 -1.597 8.538 1.00 0.00 H new ATOM 0 HA ASN A 58 1.095 0.492 10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.440 -1.738 10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.647 -0.883 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.239 -0.292 13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.067 -1.214 12.393 1.00 0.00 H new ATOM 886 N PHE A 59 2.802 1.301 7.658 1.00 0.00 N ATOM 887 CA PHE A 59 3.501 2.368 6.964 1.00 0.00 C ATOM 888 C PHE A 59 2.544 3.305 6.214 1.00 0.00 C ATOM 889 O PHE A 59 2.987 4.291 5.617 1.00 0.00 O ATOM 890 CB PHE A 59 4.533 1.774 5.977 1.00 0.00 C ATOM 891 CG PHE A 59 5.673 1.019 6.631 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.476 -0.235 7.184 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.941 1.570 6.684 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.515 -0.918 7.778 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.985 0.893 7.275 1.00 0.00 C ATOM 896 CZ PHE A 59 7.772 -0.352 7.824 1.00 0.00 C ATOM 0 H PHE A 59 2.612 0.482 7.080 1.00 0.00 H new ATOM 0 HA PHE A 59 4.012 2.962 7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.016 1.102 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.948 2.583 5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.494 -0.684 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.115 2.546 6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.345 -1.895 8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.969 1.338 7.308 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.588 -0.884 8.290 1.00 0.00 H new ATOM 906 N ALA A 60 1.243 3.037 6.260 1.00 0.00 N ATOM 907 CA ALA A 60 0.300 3.825 5.474 1.00 0.00 C ATOM 908 C ALA A 60 -1.024 4.062 6.194 1.00 0.00 C ATOM 909 O ALA A 60 -1.491 3.232 6.967 1.00 0.00 O ATOM 910 CB ALA A 60 0.048 3.158 4.128 1.00 0.00 C ATOM 0 H ALA A 60 0.823 2.296 6.821 1.00 0.00 H new ATOM 0 HA ALA A 60 0.759 4.802 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.657 3.757 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.987 3.077 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.366 2.162 4.287 1.00 0.00 H new ATOM 916 N VAL A 61 -1.621 5.185 5.918 1.00 0.00 N ATOM 917 CA VAL A 61 -2.904 5.539 6.476 1.00 0.00 C ATOM 918 C VAL A 61 -3.914 5.660 5.331 1.00 0.00 C ATOM 919 O VAL A 61 -3.602 6.239 4.281 1.00 0.00 O ATOM 920 CB VAL A 61 -2.822 6.864 7.305 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.399 8.059 6.453 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.128 7.150 8.017 1.00 0.00 C ATOM 0 H VAL A 61 -1.231 5.891 5.294 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.227 4.761 7.168 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.047 6.712 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.357 8.953 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.415 7.870 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.122 8.208 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.038 8.077 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.928 7.249 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.359 6.330 8.697 1.00 0.00 H new ATOM 932 N GLN A 62 -5.081 5.085 5.489 1.00 0.00 N ATOM 933 CA GLN A 62 -6.068 5.124 4.437 1.00 0.00 C ATOM 934 C GLN A 62 -6.767 6.476 4.425 1.00 0.00 C ATOM 935 O GLN A 62 -7.257 6.941 5.450 1.00 0.00 O ATOM 936 CB GLN A 62 -7.075 3.980 4.571 1.00 0.00 C ATOM 937 CG GLN A 62 -7.951 3.807 3.337 1.00 0.00 C ATOM 938 CD GLN A 62 -8.877 2.614 3.410 1.00 0.00 C ATOM 939 OE1 GLN A 62 -8.594 1.614 4.082 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.971 2.690 2.724 1.00 0.00 N ATOM 0 H GLN A 62 -5.370 4.587 6.331 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.557 4.990 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.537 3.051 4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.710 4.163 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.546 4.709 3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.312 3.706 2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.175 3.529 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.630 1.911 2.727 1.00 0.00 H new ATOM 949 N ILE A 63 -6.798 7.090 3.275 1.00 0.00 N ATOM 950 CA ILE A 63 -7.379 8.402 3.107 1.00 0.00 C ATOM 951 C ILE A 63 -8.882 8.254 2.976 1.00 0.00 C ATOM 952 O ILE A 63 -9.658 8.822 3.752 1.00 0.00 O ATOM 953 CB ILE A 63 -6.810 9.091 1.829 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.270 9.154 1.873 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.405 10.481 1.633 1.00 0.00 C ATOM 956 CD1 ILE A 63 -4.699 9.916 3.061 1.00 0.00 C ATOM 0 H ILE A 63 -6.418 6.693 2.416 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.133 9.019 3.971 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.100 8.483 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.878 8.137 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.912 9.619 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.987 10.932 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.487 10.402 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.167 11.104 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.610 9.908 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.056 10.946 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.021 9.440 3.987 1.00 0.00 H new ATOM 968 N SER A 64 -9.277 7.505 1.999 1.00 0.00 N ATOM 969 CA SER A 64 -10.619 7.196 1.726 1.00 0.00 C ATOM 970 C SER A 64 -10.600 5.828 1.100 1.00 0.00 C ATOM 971 O SER A 64 -11.153 4.879 1.675 1.00 0.00 O ATOM 972 CB SER A 64 -11.196 8.207 0.749 1.00 0.00 C ATOM 973 OG SER A 64 -11.112 9.533 1.259 1.00 0.00 O ATOM 974 OXT SER A 64 -9.912 5.682 0.078 1.00 0.00 O ATOM 0 H SER A 64 -8.627 7.075 1.341 1.00 0.00 H new ATOM 0 HA SER A 64 -11.232 7.221 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.660 8.146 -0.198 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.238 7.961 0.542 1.00 0.00 H new ATOM 0 HG SER A 64 -11.490 10.159 0.606 1.00 0.00 H new TER 980 SER A 64