USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 481 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.15 (180deg=0.973) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 55:sc= 1.01 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 15 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.75) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 38 TYR OH : rot 150:sc= -0.0681 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -4.05! C(o=-4!,f=-6.7!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.55) USER MOD Single : A 55 HIS : no HD1:sc= -2.03! C(o=-2!,f=-7.4!) USER MOD Single : A 56 HIS : no HE2:sc= -0.014 K(o=-0.014,f=-1.2) USER MOD Single : A 57 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.535 -38.562 -8.711 1.00 0.00 N ATOM 2 CA MET A 1 14.271 -38.613 -7.278 1.00 0.00 C ATOM 3 C MET A 1 12.770 -38.659 -7.011 1.00 0.00 C ATOM 4 O MET A 1 12.016 -37.819 -7.501 1.00 0.00 O ATOM 5 CB MET A 1 14.875 -37.386 -6.591 1.00 0.00 C ATOM 6 CG MET A 1 16.362 -37.631 -6.324 1.00 0.00 C ATOM 7 SD MET A 1 17.231 -37.841 -7.898 1.00 0.00 S ATOM 8 CE MET A 1 18.843 -38.294 -7.210 1.00 0.00 C ATOM 0 H1 MET A 1 15.507 -38.229 -8.873 1.00 0.00 H new ATOM 0 H2 MET A 1 14.421 -39.512 -9.119 1.00 0.00 H new ATOM 0 H3 MET A 1 13.865 -37.908 -9.164 1.00 0.00 H new ATOM 0 HA MET A 1 14.729 -39.517 -6.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.748 -36.505 -7.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.354 -37.187 -5.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.786 -36.793 -5.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.490 -38.519 -5.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.548 -38.473 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.211 -37.483 -6.581 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.742 -39.199 -6.612 1.00 0.00 H new ATOM 18 N THR A 2 12.343 -39.648 -6.231 1.00 0.00 N ATOM 19 CA THR A 2 10.929 -39.795 -5.907 1.00 0.00 C ATOM 20 C THR A 2 10.524 -38.810 -4.815 1.00 0.00 C ATOM 21 O THR A 2 9.395 -38.319 -4.799 1.00 0.00 O ATOM 22 CB THR A 2 10.647 -41.224 -5.437 1.00 0.00 C ATOM 23 OG1 THR A 2 9.310 -41.310 -4.966 1.00 0.00 O ATOM 24 CG2 THR A 2 11.614 -41.598 -4.311 1.00 0.00 C ATOM 0 H THR A 2 12.951 -40.354 -5.815 1.00 0.00 H new ATOM 0 HA THR A 2 10.346 -39.585 -6.804 1.00 0.00 H new ATOM 0 HB THR A 2 10.784 -41.913 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.127 -42.225 -4.666 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.410 -42.616 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.639 -41.534 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.482 -40.911 -3.475 1.00 0.00 H new ATOM 32 N TYR A 3 11.451 -38.524 -3.907 1.00 0.00 N ATOM 33 CA TYR A 3 11.174 -37.596 -2.818 1.00 0.00 C ATOM 34 C TYR A 3 10.311 -36.438 -3.308 1.00 0.00 C ATOM 35 O TYR A 3 9.593 -35.813 -2.529 1.00 0.00 O ATOM 36 CB TYR A 3 12.485 -37.051 -2.248 1.00 0.00 C ATOM 37 CG TYR A 3 13.440 -38.193 -2.000 1.00 0.00 C ATOM 38 CD1 TYR A 3 13.075 -39.234 -1.137 1.00 0.00 C ATOM 39 CD2 TYR A 3 14.689 -38.210 -2.631 1.00 0.00 C ATOM 40 CE1 TYR A 3 13.961 -40.293 -0.906 1.00 0.00 C ATOM 41 CE2 TYR A 3 15.574 -39.270 -2.401 1.00 0.00 C ATOM 42 CZ TYR A 3 15.210 -40.311 -1.539 1.00 0.00 C ATOM 43 OH TYR A 3 16.083 -41.355 -1.311 1.00 0.00 O ATOM 0 H TYR A 3 12.392 -38.917 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 3 10.635 -38.133 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.927 -36.338 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.294 -36.514 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.111 -39.220 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.970 -37.406 -3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.681 -41.096 -0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 3 16.538 -39.285 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 3 16.904 -41.214 -1.828 1.00 0.00 H new ATOM 53 N PHE A 4 10.386 -36.159 -4.605 1.00 0.00 N ATOM 54 CA PHE A 4 9.607 -35.074 -5.188 1.00 0.00 C ATOM 55 C PHE A 4 8.195 -35.062 -4.610 1.00 0.00 C ATOM 56 O PHE A 4 7.579 -34.006 -4.473 1.00 0.00 O ATOM 57 CB PHE A 4 9.540 -35.237 -6.707 1.00 0.00 C ATOM 58 CG PHE A 4 8.549 -34.251 -7.276 1.00 0.00 C ATOM 59 CD1 PHE A 4 8.941 -32.932 -7.536 1.00 0.00 C ATOM 60 CD2 PHE A 4 7.236 -34.657 -7.545 1.00 0.00 C ATOM 61 CE1 PHE A 4 8.021 -32.019 -8.065 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.316 -33.743 -8.074 1.00 0.00 C ATOM 63 CZ PHE A 4 6.708 -32.425 -8.334 1.00 0.00 C ATOM 0 H PHE A 4 10.974 -36.665 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 4 10.094 -34.129 -4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.525 -35.073 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.244 -36.255 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.954 -32.619 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.933 -35.674 -7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.324 -31.002 -8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.303 -34.056 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.998 -31.721 -8.742 1.00 0.00 H new ATOM 73 N TYR A 5 7.690 -36.244 -4.271 1.00 0.00 N ATOM 74 CA TYR A 5 6.350 -36.356 -3.704 1.00 0.00 C ATOM 75 C TYR A 5 6.376 -36.032 -2.215 1.00 0.00 C ATOM 76 O TYR A 5 5.621 -35.183 -1.741 1.00 0.00 O ATOM 77 CB TYR A 5 5.809 -37.774 -3.916 1.00 0.00 C ATOM 78 CG TYR A 5 4.515 -37.716 -4.696 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.464 -36.906 -4.249 1.00 0.00 C ATOM 80 CD2 TYR A 5 4.368 -38.472 -5.865 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.266 -36.852 -4.973 1.00 0.00 C ATOM 82 CE2 TYR A 5 3.171 -38.419 -6.587 1.00 0.00 C ATOM 83 CZ TYR A 5 2.120 -37.609 -6.142 1.00 0.00 C ATOM 84 OH TYR A 5 0.939 -37.557 -6.854 1.00 0.00 O ATOM 0 H TYR A 5 8.183 -37.131 -4.378 1.00 0.00 H new ATOM 0 HA TYR A 5 5.698 -35.643 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.542 -38.376 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.643 -38.258 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.577 -36.323 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.179 -39.096 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.455 -36.227 -4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.058 -39.003 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 5 1.004 -38.140 -7.639 1.00 0.00 H new ATOM 94 N VAL A 6 7.254 -36.709 -1.480 1.00 0.00 N ATOM 95 CA VAL A 6 7.371 -36.476 -0.046 1.00 0.00 C ATOM 96 C VAL A 6 7.920 -35.078 0.217 1.00 0.00 C ATOM 97 O VAL A 6 7.949 -34.614 1.357 1.00 0.00 O ATOM 98 CB VAL A 6 8.294 -37.521 0.586 1.00 0.00 C ATOM 99 CG1 VAL A 6 8.144 -38.851 -0.157 1.00 0.00 C ATOM 100 CG2 VAL A 6 9.746 -37.047 0.490 1.00 0.00 C ATOM 0 H VAL A 6 7.889 -37.416 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 6 6.380 -36.559 0.401 1.00 0.00 H new ATOM 0 HB VAL A 6 8.024 -37.656 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.801 -39.595 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.111 -39.191 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.413 -38.715 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.402 -37.792 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.016 -36.911 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.855 -36.100 1.019 1.00 0.00 H new ATOM 110 N THR A 7 8.351 -34.413 -0.850 1.00 0.00 N ATOM 111 CA THR A 7 8.895 -33.065 -0.734 1.00 0.00 C ATOM 112 C THR A 7 7.812 -32.028 -1.006 1.00 0.00 C ATOM 113 O THR A 7 7.593 -31.119 -0.205 1.00 0.00 O ATOM 114 CB THR A 7 10.044 -32.877 -1.726 1.00 0.00 C ATOM 115 OG1 THR A 7 11.026 -33.880 -1.509 1.00 0.00 O ATOM 116 CG2 THR A 7 10.670 -31.496 -1.529 1.00 0.00 C ATOM 0 H THR A 7 8.334 -34.783 -1.800 1.00 0.00 H new ATOM 0 HA THR A 7 9.267 -32.929 0.281 1.00 0.00 H new ATOM 0 HB THR A 7 9.662 -32.958 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.606 -34.764 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.489 -31.363 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.916 -30.727 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.052 -31.412 -0.512 1.00 0.00 H new ATOM 124 N ASP A 8 7.135 -32.170 -2.141 1.00 0.00 N ATOM 125 CA ASP A 8 6.074 -31.238 -2.507 1.00 0.00 C ATOM 126 C ASP A 8 5.035 -31.160 -1.398 1.00 0.00 C ATOM 127 O ASP A 8 4.296 -30.183 -1.285 1.00 0.00 O ATOM 128 CB ASP A 8 5.409 -31.683 -3.811 1.00 0.00 C ATOM 129 CG ASP A 8 6.122 -31.052 -5.002 1.00 0.00 C ATOM 130 OD1 ASP A 8 6.559 -29.920 -4.874 1.00 0.00 O ATOM 131 OD2 ASP A 8 6.222 -31.710 -6.025 1.00 0.00 O ATOM 0 H ASP A 8 7.300 -32.915 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 8 6.513 -30.250 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.440 -32.770 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.358 -31.393 -3.810 1.00 0.00 H new ATOM 136 N TYR A 9 4.997 -32.200 -0.582 1.00 0.00 N ATOM 137 CA TYR A 9 4.057 -32.257 0.530 1.00 0.00 C ATOM 138 C TYR A 9 4.551 -31.388 1.681 1.00 0.00 C ATOM 139 O TYR A 9 3.847 -31.185 2.671 1.00 0.00 O ATOM 140 CB TYR A 9 3.900 -33.703 1.005 1.00 0.00 C ATOM 141 CG TYR A 9 3.163 -33.727 2.321 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.767 -33.629 2.341 1.00 0.00 C ATOM 143 CD2 TYR A 9 3.874 -33.848 3.520 1.00 0.00 C ATOM 144 CE1 TYR A 9 1.082 -33.652 3.562 1.00 0.00 C ATOM 145 CE2 TYR A 9 3.190 -33.871 4.741 1.00 0.00 C ATOM 146 CZ TYR A 9 1.794 -33.773 4.761 1.00 0.00 C ATOM 147 OH TYR A 9 1.119 -33.797 5.965 1.00 0.00 O ATOM 0 H TYR A 9 5.604 -33.016 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 9 3.091 -31.882 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.355 -34.284 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.880 -34.168 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.219 -33.536 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.951 -33.924 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.005 -33.576 3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.739 -33.964 5.666 1.00 0.00 H new ATOM 0 HH TYR A 9 1.762 -33.887 6.699 1.00 0.00 H new ATOM 157 N LEU A 10 5.769 -30.873 1.538 1.00 0.00 N ATOM 158 CA LEU A 10 6.361 -30.022 2.561 1.00 0.00 C ATOM 159 C LEU A 10 6.867 -28.725 1.940 1.00 0.00 C ATOM 160 O LEU A 10 7.677 -28.013 2.534 1.00 0.00 O ATOM 161 CB LEU A 10 7.520 -30.752 3.242 1.00 0.00 C ATOM 162 CG LEU A 10 7.785 -30.129 4.613 1.00 0.00 C ATOM 163 CD1 LEU A 10 6.893 -30.800 5.660 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.254 -30.331 4.990 1.00 0.00 C ATOM 0 H LEU A 10 6.363 -31.031 0.724 1.00 0.00 H new ATOM 0 HA LEU A 10 5.598 -29.787 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.282 -31.810 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.416 -30.690 2.624 1.00 0.00 H new ATOM 0 HG LEU A 10 7.563 -29.063 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.082 -30.356 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.846 -30.656 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.115 -31.867 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.443 -29.887 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.477 -31.397 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.890 -29.853 4.245 1.00 0.00 H new ATOM 176 N ASP A 11 6.385 -28.427 0.738 1.00 0.00 N ATOM 177 CA ASP A 11 6.790 -27.216 0.039 1.00 0.00 C ATOM 178 C ASP A 11 5.578 -26.531 -0.580 1.00 0.00 C ATOM 179 O ASP A 11 4.807 -27.150 -1.313 1.00 0.00 O ATOM 180 CB ASP A 11 7.799 -27.560 -1.058 1.00 0.00 C ATOM 181 CG ASP A 11 9.219 -27.354 -0.544 1.00 0.00 C ATOM 182 OD1 ASP A 11 9.593 -28.038 0.394 1.00 0.00 O ATOM 183 OD2 ASP A 11 9.911 -26.513 -1.094 1.00 0.00 O ATOM 0 H ASP A 11 5.716 -29.006 0.230 1.00 0.00 H new ATOM 0 HA ASP A 11 7.252 -26.538 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.665 -28.594 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.626 -26.933 -1.933 1.00 0.00 H new ATOM 188 N VAL A 12 5.419 -25.250 -0.281 1.00 0.00 N ATOM 189 CA VAL A 12 4.298 -24.483 -0.813 1.00 0.00 C ATOM 190 C VAL A 12 4.658 -23.877 -2.166 1.00 0.00 C ATOM 191 O VAL A 12 5.814 -23.535 -2.416 1.00 0.00 O ATOM 192 CB VAL A 12 3.919 -23.368 0.161 1.00 0.00 C ATOM 193 CG1 VAL A 12 3.444 -23.981 1.480 1.00 0.00 C ATOM 194 CG2 VAL A 12 5.139 -22.484 0.421 1.00 0.00 C ATOM 0 H VAL A 12 6.047 -24.721 0.324 1.00 0.00 H new ATOM 0 HA VAL A 12 3.451 -25.156 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 12 3.118 -22.767 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.174 -23.186 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.575 -24.612 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.245 -24.582 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.870 -21.688 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.940 -23.086 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.478 -22.047 -0.518 1.00 0.00 H new ATOM 204 N PRO A 13 3.692 -23.738 -3.035 1.00 0.00 N ATOM 205 CA PRO A 13 3.907 -23.158 -4.392 1.00 0.00 C ATOM 206 C PRO A 13 4.156 -21.652 -4.342 1.00 0.00 C ATOM 207 O PRO A 13 3.478 -20.926 -3.616 1.00 0.00 O ATOM 208 CB PRO A 13 2.605 -23.472 -5.132 1.00 0.00 C ATOM 209 CG PRO A 13 1.567 -23.619 -4.069 1.00 0.00 C ATOM 210 CD PRO A 13 2.288 -24.120 -2.817 1.00 0.00 C ATOM 0 HA PRO A 13 4.789 -23.574 -4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.345 -22.672 -5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.698 -24.386 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.073 -22.667 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.794 -24.322 -4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.885 -23.661 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.182 -25.199 -2.700 1.00 0.00 H new ATOM 218 N SER A 14 5.135 -21.192 -5.116 1.00 0.00 N ATOM 219 CA SER A 14 5.466 -19.773 -5.151 1.00 0.00 C ATOM 220 C SER A 14 4.258 -18.949 -5.578 1.00 0.00 C ATOM 221 O SER A 14 4.250 -17.722 -5.450 1.00 0.00 O ATOM 222 CB SER A 14 6.623 -19.528 -6.119 1.00 0.00 C ATOM 223 OG SER A 14 6.699 -18.142 -6.422 1.00 0.00 O ATOM 0 H SER A 14 5.709 -21.777 -5.723 1.00 0.00 H new ATOM 0 HA SER A 14 5.763 -19.466 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.560 -19.867 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.475 -20.104 -7.033 1.00 0.00 H new ATOM 0 HG SER A 14 7.441 -17.983 -7.042 1.00 0.00 H new ATOM 229 N ASN A 15 3.235 -19.628 -6.081 1.00 0.00 N ATOM 230 CA ASN A 15 2.029 -18.941 -6.514 1.00 0.00 C ATOM 231 C ASN A 15 1.472 -18.112 -5.365 1.00 0.00 C ATOM 232 O ASN A 15 0.846 -17.074 -5.579 1.00 0.00 O ATOM 233 CB ASN A 15 0.982 -19.958 -6.973 1.00 0.00 C ATOM 234 CG ASN A 15 0.321 -19.480 -8.261 1.00 0.00 C ATOM 235 OD1 ASN A 15 1.000 -18.998 -9.168 1.00 0.00 O ATOM 236 ND2 ASN A 15 -0.973 -19.584 -8.396 1.00 0.00 N ATOM 0 H ASN A 15 3.217 -20.641 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 15 2.274 -18.284 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.452 -20.928 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.229 -20.093 -6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.423 -19.266 -9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.534 -19.984 -7.644 1.00 0.00 H new ATOM 243 N ILE A 16 1.716 -18.574 -4.141 1.00 0.00 N ATOM 244 CA ILE A 16 1.245 -17.859 -2.963 1.00 0.00 C ATOM 245 C ILE A 16 2.137 -16.661 -2.686 1.00 0.00 C ATOM 246 O ILE A 16 1.762 -15.737 -1.970 1.00 0.00 O ATOM 247 CB ILE A 16 1.215 -18.799 -1.750 1.00 0.00 C ATOM 248 CG1 ILE A 16 -0.192 -19.381 -1.597 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.583 -18.030 -0.477 1.00 0.00 C ATOM 250 CD1 ILE A 16 -0.533 -20.226 -2.825 1.00 0.00 C ATOM 0 H ILE A 16 2.232 -19.431 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 16 0.232 -17.501 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 16 1.936 -19.602 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.248 -19.992 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.919 -18.577 -1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.558 -18.707 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.585 -17.613 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.868 -17.222 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.535 -20.640 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.494 -19.602 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.187 -21.039 -2.919 1.00 0.00 H new ATOM 262 N ALA A 17 3.315 -16.700 -3.267 1.00 0.00 N ATOM 263 CA ALA A 17 4.291 -15.625 -3.104 1.00 0.00 C ATOM 264 C ALA A 17 3.911 -14.414 -3.948 1.00 0.00 C ATOM 265 O ALA A 17 4.170 -13.272 -3.573 1.00 0.00 O ATOM 266 CB ALA A 17 5.674 -16.117 -3.525 1.00 0.00 C ATOM 0 H ALA A 17 3.630 -17.466 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 17 4.304 -15.331 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.399 -15.313 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.963 -16.965 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.648 -16.425 -4.570 1.00 0.00 H new ATOM 272 N LYS A 18 3.292 -14.683 -5.089 1.00 0.00 N ATOM 273 CA LYS A 18 2.867 -13.626 -5.996 1.00 0.00 C ATOM 274 C LYS A 18 1.456 -13.205 -5.655 1.00 0.00 C ATOM 275 O LYS A 18 1.085 -12.036 -5.773 1.00 0.00 O ATOM 276 CB LYS A 18 2.926 -14.117 -7.444 1.00 0.00 C ATOM 277 CG LYS A 18 2.894 -12.918 -8.394 1.00 0.00 C ATOM 278 CD LYS A 18 2.853 -13.414 -9.841 1.00 0.00 C ATOM 279 CE LYS A 18 1.555 -14.187 -10.079 1.00 0.00 C ATOM 280 NZ LYS A 18 1.195 -14.121 -11.524 1.00 0.00 N ATOM 0 H LYS A 18 3.073 -15.626 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 18 3.537 -12.773 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.834 -14.697 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.084 -14.779 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.021 -12.299 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.773 -12.293 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.917 -12.570 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.712 -14.054 -10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.676 -15.225 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.752 -13.766 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.312 -14.647 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.063 -13.128 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.958 -14.542 -12.091 1.00 0.00 H new ATOM 294 N ILE A 19 0.678 -14.178 -5.217 1.00 0.00 N ATOM 295 CA ILE A 19 -0.699 -13.932 -4.836 1.00 0.00 C ATOM 296 C ILE A 19 -0.734 -13.240 -3.484 1.00 0.00 C ATOM 297 O ILE A 19 -1.727 -12.610 -3.120 1.00 0.00 O ATOM 298 CB ILE A 19 -1.462 -15.252 -4.759 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.858 -15.696 -6.170 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.721 -15.067 -3.909 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.613 -17.024 -6.097 1.00 0.00 C ATOM 0 H ILE A 19 0.978 -15.148 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.170 -13.293 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.827 -16.012 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.483 -14.936 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.969 -15.805 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.265 -16.010 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.439 -14.752 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.357 -14.307 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.894 -17.338 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.973 -17.782 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.511 -16.899 -5.492 1.00 0.00 H new ATOM 313 N ILE A 20 0.364 -13.359 -2.742 1.00 0.00 N ATOM 314 CA ILE A 20 0.440 -12.730 -1.422 1.00 0.00 C ATOM 315 C ILE A 20 1.190 -11.404 -1.495 1.00 0.00 C ATOM 316 O ILE A 20 1.016 -10.537 -0.638 1.00 0.00 O ATOM 317 CB ILE A 20 1.141 -13.652 -0.424 1.00 0.00 C ATOM 318 CG1 ILE A 20 1.016 -13.062 0.982 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.621 -13.773 -0.790 1.00 0.00 C ATOM 320 CD1 ILE A 20 1.348 -14.138 2.018 1.00 0.00 C ATOM 0 H ILE A 20 1.199 -13.874 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.580 -12.545 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 20 0.678 -14.638 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.692 -12.214 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.005 -12.687 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.119 -14.431 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.715 -14.188 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.085 -12.787 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.259 -13.718 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.655 -14.972 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.367 -14.491 1.862 1.00 0.00 H new ATOM 332 N ILE A 21 2.027 -11.252 -2.514 1.00 0.00 N ATOM 333 CA ILE A 21 2.798 -10.027 -2.673 1.00 0.00 C ATOM 334 C ILE A 21 2.050 -9.025 -3.549 1.00 0.00 C ATOM 335 O ILE A 21 1.944 -7.848 -3.208 1.00 0.00 O ATOM 336 CB ILE A 21 4.157 -10.342 -3.297 1.00 0.00 C ATOM 337 CG1 ILE A 21 5.114 -10.831 -2.206 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.727 -9.080 -3.944 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.397 -11.357 -2.850 1.00 0.00 C ATOM 0 H ILE A 21 2.188 -11.955 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 21 2.945 -9.585 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 21 4.039 -11.116 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.347 -10.017 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.641 -11.618 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.696 -9.305 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.045 -8.728 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.847 -8.305 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.078 -11.705 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.156 -12.184 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.873 -10.558 -3.418 1.00 0.00 H new ATOM 351 N GLY A 22 1.535 -9.499 -4.678 1.00 0.00 N ATOM 352 CA GLY A 22 0.801 -8.634 -5.596 1.00 0.00 C ATOM 353 C GLY A 22 -0.186 -7.743 -4.847 1.00 0.00 C ATOM 354 O GLY A 22 -0.225 -6.529 -5.052 1.00 0.00 O ATOM 0 H GLY A 22 1.611 -10.471 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.502 -8.014 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.265 -9.243 -6.323 1.00 0.00 H new ATOM 358 N PRO A 23 -0.980 -8.327 -3.989 1.00 0.00 N ATOM 359 CA PRO A 23 -1.995 -7.579 -3.192 1.00 0.00 C ATOM 360 C PRO A 23 -1.382 -6.407 -2.431 1.00 0.00 C ATOM 361 O PRO A 23 -1.992 -5.343 -2.317 1.00 0.00 O ATOM 362 CB PRO A 23 -2.551 -8.626 -2.223 1.00 0.00 C ATOM 363 CG PRO A 23 -2.256 -9.950 -2.847 1.00 0.00 C ATOM 364 CD PRO A 23 -0.996 -9.766 -3.689 1.00 0.00 C ATOM 0 HA PRO A 23 -2.761 -7.135 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.081 -8.541 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.623 -8.493 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.103 -10.713 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.090 -10.281 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.103 -10.071 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.033 -10.364 -4.600 1.00 0.00 H new ATOM 372 N LEU A 24 -0.174 -6.605 -1.912 1.00 0.00 N ATOM 373 CA LEU A 24 0.502 -5.549 -1.168 1.00 0.00 C ATOM 374 C LEU A 24 1.152 -4.563 -2.124 1.00 0.00 C ATOM 375 O LEU A 24 1.166 -3.357 -1.875 1.00 0.00 O ATOM 376 CB LEU A 24 1.559 -6.149 -0.239 1.00 0.00 C ATOM 377 CG LEU A 24 2.248 -5.031 0.547 1.00 0.00 C ATOM 378 CD1 LEU A 24 1.878 -5.142 2.027 1.00 0.00 C ATOM 379 CD2 LEU A 24 3.766 -5.158 0.392 1.00 0.00 C ATOM 0 H LEU A 24 0.351 -7.476 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.238 -5.021 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.094 -6.857 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.295 -6.705 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 24 1.922 -4.065 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.369 -4.345 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.798 -5.051 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.203 -6.109 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.257 -4.362 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.091 -6.125 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.032 -5.078 -0.662 1.00 0.00 H new ATOM 391 N ILE A 25 1.671 -5.078 -3.230 1.00 0.00 N ATOM 392 CA ILE A 25 2.297 -4.228 -4.227 1.00 0.00 C ATOM 393 C ILE A 25 1.353 -3.084 -4.573 1.00 0.00 C ATOM 394 O ILE A 25 1.786 -1.973 -4.877 1.00 0.00 O ATOM 395 CB ILE A 25 2.629 -5.040 -5.483 1.00 0.00 C ATOM 396 CG1 ILE A 25 4.049 -5.602 -5.360 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.543 -4.146 -6.722 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.414 -6.364 -6.635 1.00 0.00 C ATOM 0 H ILE A 25 1.670 -6.073 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 25 3.226 -3.822 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 25 1.914 -5.857 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.758 -4.791 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.115 -6.265 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.781 -4.731 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.534 -3.744 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.253 -3.325 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.425 -6.762 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.712 -7.185 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.366 -5.688 -7.489 1.00 0.00 H new ATOM 410 N PHE A 26 0.055 -3.374 -4.525 1.00 0.00 N ATOM 411 CA PHE A 26 -0.954 -2.367 -4.837 1.00 0.00 C ATOM 412 C PHE A 26 -0.968 -1.267 -3.779 1.00 0.00 C ATOM 413 O PHE A 26 -1.125 -0.089 -4.100 1.00 0.00 O ATOM 414 CB PHE A 26 -2.338 -3.018 -4.912 1.00 0.00 C ATOM 415 CG PHE A 26 -3.399 -1.963 -4.708 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.728 -1.090 -5.753 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.052 -1.854 -3.474 1.00 0.00 C ATOM 418 CE1 PHE A 26 -4.709 -0.110 -5.564 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.033 -0.873 -3.285 1.00 0.00 C ATOM 420 CZ PHE A 26 -5.362 -0.001 -4.329 1.00 0.00 C ATOM 0 H PHE A 26 -0.320 -4.289 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.705 -1.924 -5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.472 -3.503 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.429 -3.793 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.224 -1.173 -6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.799 -2.527 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.963 0.562 -6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.536 -0.789 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.119 0.756 -4.183 1.00 0.00 H new ATOM 430 N VAL A 27 -0.808 -1.657 -2.519 1.00 0.00 N ATOM 431 CA VAL A 27 -0.810 -0.692 -1.424 1.00 0.00 C ATOM 432 C VAL A 27 0.458 0.159 -1.448 1.00 0.00 C ATOM 433 O VAL A 27 0.412 1.363 -1.195 1.00 0.00 O ATOM 434 CB VAL A 27 -0.914 -1.420 -0.084 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.756 -0.416 1.059 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.283 -2.098 0.023 1.00 0.00 C ATOM 0 H VAL A 27 -0.676 -2.627 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.672 -0.037 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.127 -2.171 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.830 -0.937 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.217 0.069 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.542 0.336 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.358 -2.617 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.068 -1.345 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.398 -2.815 -0.790 1.00 0.00 H new ATOM 446 N PHE A 28 1.588 -0.471 -1.754 1.00 0.00 N ATOM 447 CA PHE A 28 2.859 0.243 -1.806 1.00 0.00 C ATOM 448 C PHE A 28 2.869 1.232 -2.965 1.00 0.00 C ATOM 449 O PHE A 28 3.385 2.344 -2.842 1.00 0.00 O ATOM 450 CB PHE A 28 4.011 -0.750 -1.970 1.00 0.00 C ATOM 451 CG PHE A 28 5.303 -0.098 -1.540 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.632 -0.021 -0.181 1.00 0.00 C ATOM 453 CD2 PHE A 28 6.174 0.432 -2.501 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.831 0.583 0.216 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.372 1.037 -2.104 1.00 0.00 C ATOM 456 CZ PHE A 28 7.701 1.112 -0.745 1.00 0.00 C ATOM 0 H PHE A 28 1.650 -1.466 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 28 2.984 0.792 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.825 -1.642 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.082 -1.072 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.961 -0.428 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.921 0.374 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.085 0.641 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.042 1.446 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.626 1.578 -0.438 1.00 0.00 H new ATOM 466 N LEU A 29 2.294 0.822 -4.090 1.00 0.00 N ATOM 467 CA LEU A 29 2.241 1.682 -5.267 1.00 0.00 C ATOM 468 C LEU A 29 1.242 2.815 -5.054 1.00 0.00 C ATOM 469 O LEU A 29 1.420 3.918 -5.571 1.00 0.00 O ATOM 470 CB LEU A 29 1.830 0.862 -6.491 1.00 0.00 C ATOM 471 CG LEU A 29 2.460 1.467 -7.748 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.950 1.117 -7.796 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.761 0.900 -8.986 1.00 0.00 C ATOM 0 H LEU A 29 1.861 -0.093 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 29 3.230 2.109 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.151 -0.173 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.744 0.850 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 29 2.346 2.551 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.396 1.549 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.447 1.519 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.069 0.034 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.207 1.328 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.877 -0.184 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.701 1.151 -8.952 1.00 0.00 H new ATOM 485 N PHE A 30 0.189 2.532 -4.292 1.00 0.00 N ATOM 486 CA PHE A 30 -0.836 3.533 -4.018 1.00 0.00 C ATOM 487 C PHE A 30 -0.339 4.547 -2.990 1.00 0.00 C ATOM 488 O PHE A 30 -0.654 5.734 -3.075 1.00 0.00 O ATOM 489 CB PHE A 30 -2.103 2.851 -3.493 1.00 0.00 C ATOM 490 CG PHE A 30 -3.198 2.939 -4.531 1.00 0.00 C ATOM 491 CD1 PHE A 30 -2.910 2.677 -5.876 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.499 3.283 -4.148 1.00 0.00 C ATOM 493 CE1 PHE A 30 -3.923 2.758 -6.837 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.513 3.364 -5.109 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.226 3.102 -6.454 1.00 0.00 C ATOM 0 H PHE A 30 0.024 1.625 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.061 4.057 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.895 1.807 -3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.427 3.327 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.905 2.412 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.721 3.486 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.701 2.555 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.517 3.629 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.008 3.165 -7.196 1.00 0.00 H new ATOM 505 N SER A 31 0.433 4.071 -2.020 1.00 0.00 N ATOM 506 CA SER A 31 0.960 4.946 -0.978 1.00 0.00 C ATOM 507 C SER A 31 1.972 5.928 -1.555 1.00 0.00 C ATOM 508 O SER A 31 1.954 7.117 -1.235 1.00 0.00 O ATOM 509 CB SER A 31 1.625 4.114 0.118 1.00 0.00 C ATOM 510 OG SER A 31 2.212 4.983 1.078 1.00 0.00 O ATOM 0 H SER A 31 0.707 3.092 -1.933 1.00 0.00 H new ATOM 0 HA SER A 31 0.128 5.509 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.889 3.468 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.386 3.464 -0.314 1.00 0.00 H new ATOM 0 HG SER A 31 2.638 4.452 1.783 1.00 0.00 H new ATOM 516 N VAL A 32 2.851 5.420 -2.402 1.00 0.00 N ATOM 517 CA VAL A 32 3.876 6.255 -3.021 1.00 0.00 C ATOM 518 C VAL A 32 3.252 7.247 -3.999 1.00 0.00 C ATOM 519 O VAL A 32 3.662 8.406 -4.065 1.00 0.00 O ATOM 520 CB VAL A 32 4.890 5.379 -3.758 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.828 6.266 -4.577 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.706 4.578 -2.739 1.00 0.00 C ATOM 0 H VAL A 32 2.879 4.439 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 32 4.381 6.813 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 32 4.364 4.694 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.551 5.643 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.248 6.838 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.355 6.950 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.429 3.953 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.232 5.263 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.038 3.947 -2.153 1.00 0.00 H new ATOM 532 N VAL A 33 2.262 6.787 -4.756 1.00 0.00 N ATOM 533 CA VAL A 33 1.594 7.645 -5.729 1.00 0.00 C ATOM 534 C VAL A 33 0.936 8.836 -5.037 1.00 0.00 C ATOM 535 O VAL A 33 1.196 9.989 -5.383 1.00 0.00 O ATOM 536 CB VAL A 33 0.534 6.847 -6.489 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.362 7.804 -7.277 1.00 0.00 C ATOM 538 CG2 VAL A 33 1.223 5.881 -7.457 1.00 0.00 C ATOM 0 H VAL A 33 1.906 5.832 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 33 2.343 8.015 -6.429 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.073 6.284 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.117 7.233 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.852 8.493 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.243 8.368 -7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.469 5.311 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.830 6.446 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.861 5.198 -6.897 1.00 0.00 H new ATOM 548 N ILE A 34 0.082 8.551 -4.060 1.00 0.00 N ATOM 549 CA ILE A 34 -0.611 9.605 -3.327 1.00 0.00 C ATOM 550 C ILE A 34 0.370 10.425 -2.499 1.00 0.00 C ATOM 551 O ILE A 34 0.065 11.540 -2.077 1.00 0.00 O ATOM 552 CB ILE A 34 -1.678 9.002 -2.411 1.00 0.00 C ATOM 553 CG1 ILE A 34 -1.006 8.146 -1.335 1.00 0.00 C ATOM 554 CG2 ILE A 34 -2.628 8.132 -3.237 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.060 7.282 -0.638 1.00 0.00 C ATOM 0 H ILE A 34 -0.146 7.604 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.090 10.262 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.242 9.804 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.241 7.513 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.505 8.785 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.388 7.702 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.109 8.743 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.065 7.330 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.582 6.672 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.809 7.925 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.541 6.633 -1.370 1.00 0.00 H new ATOM 567 N GLY A 35 1.540 9.854 -2.256 1.00 0.00 N ATOM 568 CA GLY A 35 2.556 10.528 -1.457 1.00 0.00 C ATOM 569 C GLY A 35 3.216 11.671 -2.210 1.00 0.00 C ATOM 570 O GLY A 35 3.200 12.816 -1.759 1.00 0.00 O ATOM 0 H GLY A 35 1.810 8.932 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.101 10.912 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.316 9.807 -1.156 1.00 0.00 H new ATOM 574 N SER A 36 3.790 11.357 -3.362 1.00 0.00 N ATOM 575 CA SER A 36 4.443 12.376 -4.165 1.00 0.00 C ATOM 576 C SER A 36 3.395 13.333 -4.691 1.00 0.00 C ATOM 577 O SER A 36 3.674 14.499 -4.971 1.00 0.00 O ATOM 578 CB SER A 36 5.195 11.733 -5.330 1.00 0.00 C ATOM 579 OG SER A 36 5.173 10.319 -5.178 1.00 0.00 O ATOM 0 H SER A 36 3.817 10.417 -3.757 1.00 0.00 H new ATOM 0 HA SER A 36 5.161 12.918 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.734 12.016 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.224 12.092 -5.357 1.00 0.00 H new ATOM 0 HG SER A 36 5.653 9.902 -5.924 1.00 0.00 H new ATOM 585 N ILE A 37 2.181 12.821 -4.813 1.00 0.00 N ATOM 586 CA ILE A 37 1.070 13.632 -5.297 1.00 0.00 C ATOM 587 C ILE A 37 0.604 14.592 -4.210 1.00 0.00 C ATOM 588 O ILE A 37 0.256 15.739 -4.485 1.00 0.00 O ATOM 589 CB ILE A 37 -0.087 12.736 -5.733 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.168 12.229 -7.154 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.393 13.533 -5.703 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.852 11.143 -7.501 1.00 0.00 C ATOM 0 H ILE A 37 1.938 11.856 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 37 1.411 14.211 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.164 11.888 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.093 13.053 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.180 11.831 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.218 12.892 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.576 13.894 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.317 14.382 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.670 10.783 -8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.756 10.315 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.859 11.556 -7.439 1.00 0.00 H new ATOM 604 N TYR A 38 0.601 14.108 -2.972 1.00 0.00 N ATOM 605 CA TYR A 38 0.175 14.926 -1.841 1.00 0.00 C ATOM 606 C TYR A 38 0.979 16.222 -1.782 1.00 0.00 C ATOM 607 O TYR A 38 0.412 17.311 -1.691 1.00 0.00 O ATOM 608 CB TYR A 38 0.356 14.152 -0.535 1.00 0.00 C ATOM 609 CG TYR A 38 -0.155 14.984 0.617 1.00 0.00 C ATOM 610 CD1 TYR A 38 -1.532 15.155 0.800 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.748 15.585 1.501 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.006 15.926 1.868 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.275 16.357 2.569 1.00 0.00 C ATOM 614 CZ TYR A 38 -1.104 16.528 2.752 1.00 0.00 C ATOM 615 OH TYR A 38 -1.570 17.289 3.805 1.00 0.00 O ATOM 0 H TYR A 38 0.887 13.160 -2.727 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.879 15.171 -1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.184 13.206 -0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.408 13.911 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.229 14.692 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.811 15.453 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.069 16.056 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.972 16.820 3.251 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.939 17.234 4.553 1.00 0.00 H new ATOM 625 N LEU A 39 2.302 16.098 -1.835 1.00 0.00 N ATOM 626 CA LEU A 39 3.168 17.270 -1.785 1.00 0.00 C ATOM 627 C LEU A 39 2.622 18.371 -2.689 1.00 0.00 C ATOM 628 O LEU A 39 2.687 19.554 -2.353 1.00 0.00 O ATOM 629 CB LEU A 39 4.585 16.895 -2.227 1.00 0.00 C ATOM 630 CG LEU A 39 5.525 16.928 -1.019 1.00 0.00 C ATOM 631 CD1 LEU A 39 5.100 15.858 -0.012 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.958 16.651 -1.481 1.00 0.00 C ATOM 0 H LEU A 39 2.793 15.207 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 39 3.197 17.637 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.586 15.901 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.934 17.589 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 39 5.477 17.910 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.769 15.881 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.079 16.053 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.148 14.876 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.628 16.674 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.005 15.669 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.262 17.412 -2.199 1.00 0.00 H new ATOM 644 N PHE A 40 2.076 17.974 -3.834 1.00 0.00 N ATOM 645 CA PHE A 40 1.514 18.935 -4.775 1.00 0.00 C ATOM 646 C PHE A 40 0.214 19.513 -4.225 1.00 0.00 C ATOM 647 O PHE A 40 0.005 20.727 -4.243 1.00 0.00 O ATOM 648 CB PHE A 40 1.243 18.254 -6.118 1.00 0.00 C ATOM 649 CG PHE A 40 1.627 19.185 -7.244 1.00 0.00 C ATOM 650 CD1 PHE A 40 1.273 20.538 -7.185 1.00 0.00 C ATOM 651 CD2 PHE A 40 2.335 18.694 -8.347 1.00 0.00 C ATOM 652 CE1 PHE A 40 1.627 21.401 -8.230 1.00 0.00 C ATOM 653 CE2 PHE A 40 2.690 19.556 -9.392 1.00 0.00 C ATOM 654 CZ PHE A 40 2.335 20.909 -9.334 1.00 0.00 C ATOM 0 H PHE A 40 2.011 17.000 -4.131 1.00 0.00 H new ATOM 0 HA PHE A 40 2.231 19.743 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.812 17.327 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.189 17.988 -6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.727 20.917 -6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.608 17.650 -8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.354 22.445 -8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.237 19.177 -10.242 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.607 21.574 -10.141 1.00 0.00 H new ATOM 664 N LEU A 41 -0.653 18.635 -3.734 1.00 0.00 N ATOM 665 CA LEU A 41 -1.931 19.062 -3.176 1.00 0.00 C ATOM 666 C LEU A 41 -1.710 20.053 -2.042 1.00 0.00 C ATOM 667 O LEU A 41 -2.638 20.723 -1.590 1.00 0.00 O ATOM 668 CB LEU A 41 -2.705 17.845 -2.660 1.00 0.00 C ATOM 669 CG LEU A 41 -4.025 18.295 -2.032 1.00 0.00 C ATOM 670 CD1 LEU A 41 -4.839 19.084 -3.061 1.00 0.00 C ATOM 671 CD2 LEU A 41 -4.820 17.066 -1.587 1.00 0.00 C ATOM 0 H LEU A 41 -0.496 17.627 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.510 19.551 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.899 17.153 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.107 17.308 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.820 18.929 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.780 19.404 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.272 19.959 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.045 18.451 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.761 17.384 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.025 16.433 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.241 16.504 -0.854 1.00 0.00 H new ATOM 683 N ARG A 42 -0.470 20.134 -1.593 1.00 0.00 N ATOM 684 CA ARG A 42 -0.112 21.041 -0.508 1.00 0.00 C ATOM 685 C ARG A 42 0.594 22.280 -1.049 1.00 0.00 C ATOM 686 O ARG A 42 0.825 23.243 -0.318 1.00 0.00 O ATOM 687 CB ARG A 42 0.803 20.326 0.488 1.00 0.00 C ATOM 688 CG ARG A 42 0.495 20.807 1.908 1.00 0.00 C ATOM 689 CD ARG A 42 -0.494 19.846 2.569 1.00 0.00 C ATOM 690 NE ARG A 42 -0.765 20.265 3.940 1.00 0.00 N ATOM 691 CZ ARG A 42 0.016 19.882 4.943 1.00 0.00 C ATOM 692 NH1 ARG A 42 1.048 19.115 4.711 1.00 0.00 N ATOM 693 NH2 ARG A 42 -0.246 20.272 6.161 1.00 0.00 N ATOM 0 H ARG A 42 0.308 19.585 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.028 21.352 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.659 19.248 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.847 20.524 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.413 20.860 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.077 21.813 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.423 19.820 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.088 18.834 2.564 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.569 20.863 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.254 18.811 3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.648 18.821 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.051 20.871 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.354 19.977 6.931 1.00 0.00 H new ATOM 707 N LYS A 43 0.934 22.246 -2.332 1.00 0.00 N ATOM 708 CA LYS A 43 1.615 23.373 -2.959 1.00 0.00 C ATOM 709 C LYS A 43 0.604 24.393 -3.471 1.00 0.00 C ATOM 710 O LYS A 43 0.922 25.224 -4.322 1.00 0.00 O ATOM 711 CB LYS A 43 2.481 22.884 -4.120 1.00 0.00 C ATOM 712 CG LYS A 43 3.707 23.788 -4.249 1.00 0.00 C ATOM 713 CD LYS A 43 4.551 23.342 -5.444 1.00 0.00 C ATOM 714 CE LYS A 43 6.010 23.741 -5.214 1.00 0.00 C ATOM 715 NZ LYS A 43 6.839 23.279 -6.363 1.00 0.00 N ATOM 0 H LYS A 43 0.752 21.458 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 43 2.249 23.849 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.791 21.853 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.907 22.895 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.395 24.824 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.300 23.745 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.474 22.263 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.177 23.801 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.090 24.823 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.377 23.300 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.831 23.550 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.772 22.244 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.494 23.720 -7.240 1.00 0.00 H new ATOM 729 N ARG A 44 -0.614 24.325 -2.944 1.00 0.00 N ATOM 730 CA ARG A 44 -1.664 25.250 -3.354 1.00 0.00 C ATOM 731 C ARG A 44 -1.197 26.692 -3.189 1.00 0.00 C ATOM 732 O ARG A 44 -1.483 27.333 -2.179 1.00 0.00 O ATOM 733 CB ARG A 44 -2.918 25.017 -2.510 1.00 0.00 C ATOM 734 CG ARG A 44 -3.827 24.006 -3.211 1.00 0.00 C ATOM 735 CD ARG A 44 -4.984 23.633 -2.283 1.00 0.00 C ATOM 736 NE ARG A 44 -4.506 22.777 -1.202 1.00 0.00 N ATOM 737 CZ ARG A 44 -5.329 21.948 -0.569 1.00 0.00 C ATOM 738 NH1 ARG A 44 -6.588 21.892 -0.907 1.00 0.00 N ATOM 739 NH2 ARG A 44 -4.876 21.188 0.392 1.00 0.00 N ATOM 0 H ARG A 44 -0.897 23.645 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.894 25.072 -4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.641 24.648 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.449 25.957 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.212 24.429 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.259 23.115 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.434 24.536 -1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.762 23.118 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.524 22.816 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.941 22.485 -1.658 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.219 21.255 -0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.892 21.231 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.507 20.551 0.879 1.00 0.00 H new ATOM 753 N GLN A 45 -0.475 27.196 -4.185 1.00 0.00 N ATOM 754 CA GLN A 45 0.026 28.564 -4.131 1.00 0.00 C ATOM 755 C GLN A 45 0.489 29.032 -5.509 1.00 0.00 C ATOM 756 O GLN A 45 1.566 29.613 -5.647 1.00 0.00 O ATOM 757 CB GLN A 45 1.194 28.648 -3.146 1.00 0.00 C ATOM 758 CG GLN A 45 1.750 30.072 -3.130 1.00 0.00 C ATOM 759 CD GLN A 45 2.014 30.509 -1.692 1.00 0.00 C ATOM 760 OE1 GLN A 45 2.952 30.027 -1.059 1.00 0.00 O ATOM 761 NE2 GLN A 45 1.237 31.400 -1.138 1.00 0.00 N ATOM 0 H GLN A 45 -0.226 26.683 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.785 29.212 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.862 28.365 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.976 27.945 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.672 30.118 -3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.043 30.753 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.460 31.798 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.407 31.698 -0.178 1.00 0.00 H new ATOM 770 N PRO A 46 -0.304 28.798 -6.522 1.00 0.00 N ATOM 771 CA PRO A 46 0.029 29.211 -7.916 1.00 0.00 C ATOM 772 C PRO A 46 -0.068 30.723 -8.102 1.00 0.00 C ATOM 773 O PRO A 46 0.598 31.297 -8.962 1.00 0.00 O ATOM 774 CB PRO A 46 -1.013 28.488 -8.770 1.00 0.00 C ATOM 775 CG PRO A 46 -2.173 28.248 -7.863 1.00 0.00 C ATOM 776 CD PRO A 46 -1.603 28.112 -6.449 1.00 0.00 C ATOM 0 HA PRO A 46 1.054 28.956 -8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.305 29.092 -9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.619 27.550 -9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.884 29.073 -7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.711 27.345 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.257 28.573 -5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.487 27.066 -6.164 1.00 0.00 H new ATOM 784 N ASP A 47 -0.909 31.356 -7.290 1.00 0.00 N ATOM 785 CA ASP A 47 -1.098 32.794 -7.367 1.00 0.00 C ATOM 786 C ASP A 47 0.165 33.524 -6.938 1.00 0.00 C ATOM 787 O ASP A 47 0.110 34.555 -6.266 1.00 0.00 O ATOM 788 CB ASP A 47 -2.274 33.225 -6.487 1.00 0.00 C ATOM 789 CG ASP A 47 -2.031 32.791 -5.044 1.00 0.00 C ATOM 790 OD1 ASP A 47 -0.879 32.762 -4.641 1.00 0.00 O ATOM 791 OD2 ASP A 47 -2.999 32.495 -4.364 1.00 0.00 O ATOM 0 H ASP A 47 -1.468 30.893 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.317 33.054 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.397 34.307 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.198 32.782 -6.858 1.00 0.00 H new ATOM 796 N GLY A 48 1.296 32.974 -7.334 1.00 0.00 N ATOM 797 CA GLY A 48 2.589 33.558 -6.998 1.00 0.00 C ATOM 798 C GLY A 48 2.496 35.076 -6.901 1.00 0.00 C ATOM 799 O GLY A 48 2.499 35.640 -5.806 1.00 0.00 O ATOM 0 H GLY A 48 1.350 32.121 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.940 33.151 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.324 33.283 -7.755 1.00 0.00 H new ATOM 803 N PRO A 49 2.415 35.738 -8.022 1.00 0.00 N ATOM 804 CA PRO A 49 2.322 37.223 -8.079 1.00 0.00 C ATOM 805 C PRO A 49 1.406 37.787 -6.997 1.00 0.00 C ATOM 806 O PRO A 49 0.725 37.042 -6.294 1.00 0.00 O ATOM 807 CB PRO A 49 1.755 37.484 -9.472 1.00 0.00 C ATOM 808 CG PRO A 49 2.214 36.333 -10.308 1.00 0.00 C ATOM 809 CD PRO A 49 2.403 35.140 -9.365 1.00 0.00 C ATOM 0 HA PRO A 49 3.283 37.706 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.667 37.544 -9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.118 38.430 -9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.481 36.101 -11.081 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.148 36.574 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.595 34.417 -9.471 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.333 34.611 -9.574 1.00 0.00 H new ATOM 817 N LEU A 50 1.398 39.110 -6.871 1.00 0.00 N ATOM 818 CA LEU A 50 0.563 39.768 -5.871 1.00 0.00 C ATOM 819 C LEU A 50 -0.254 40.887 -6.508 1.00 0.00 C ATOM 820 O LEU A 50 0.120 42.058 -6.440 1.00 0.00 O ATOM 821 CB LEU A 50 1.440 40.344 -4.757 1.00 0.00 C ATOM 822 CG LEU A 50 1.373 39.433 -3.531 1.00 0.00 C ATOM 823 CD1 LEU A 50 1.947 38.060 -3.884 1.00 0.00 C ATOM 824 CD2 LEU A 50 2.189 40.049 -2.394 1.00 0.00 C ATOM 0 H LEU A 50 1.955 39.744 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.120 39.029 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.471 40.433 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.103 41.347 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 50 0.335 39.323 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.899 37.410 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.366 37.621 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.985 38.169 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.142 39.400 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.227 40.159 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.781 41.028 -2.142 1.00 0.00 H new ATOM 836 N GLU A 51 -1.370 40.517 -7.127 1.00 0.00 N ATOM 837 CA GLU A 51 -2.234 41.499 -7.774 1.00 0.00 C ATOM 838 C GLU A 51 -1.504 42.176 -8.929 1.00 0.00 C ATOM 839 O GLU A 51 -0.659 41.566 -9.585 1.00 0.00 O ATOM 840 CB GLU A 51 -2.677 42.556 -6.760 1.00 0.00 C ATOM 841 CG GLU A 51 -3.334 41.870 -5.561 1.00 0.00 C ATOM 842 CD GLU A 51 -4.460 42.743 -5.016 1.00 0.00 C ATOM 843 OE1 GLU A 51 -5.229 43.252 -5.815 1.00 0.00 O ATOM 844 OE2 GLU A 51 -4.536 42.891 -3.807 1.00 0.00 O ATOM 0 H GLU A 51 -1.696 39.553 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.110 40.981 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.819 43.142 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.378 43.250 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.727 40.898 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.592 41.690 -4.783 1.00 0.00 H new ATOM 851 N HIS A 52 -1.834 43.440 -9.172 1.00 0.00 N ATOM 852 CA HIS A 52 -1.203 44.190 -10.251 1.00 0.00 C ATOM 853 C HIS A 52 -0.834 45.594 -9.784 1.00 0.00 C ATOM 854 O HIS A 52 0.259 46.085 -10.062 1.00 0.00 O ATOM 855 CB HIS A 52 -2.149 44.278 -11.449 1.00 0.00 C ATOM 856 CG HIS A 52 -2.997 43.037 -11.511 1.00 0.00 C ATOM 857 ND1 HIS A 52 -3.808 42.643 -10.459 1.00 0.00 N ATOM 858 CD2 HIS A 52 -3.171 42.092 -12.492 1.00 0.00 C ATOM 859 CE1 HIS A 52 -4.429 41.507 -10.827 1.00 0.00 C ATOM 860 NE2 HIS A 52 -4.075 41.127 -12.058 1.00 0.00 N ATOM 0 H HIS A 52 -2.530 43.963 -8.640 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.293 43.669 -10.547 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.783 45.160 -11.361 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.577 44.387 -12.370 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.681 42.097 -13.454 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.128 40.969 -10.204 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -4.398 40.306 -12.570 1.00 0.00 H new ATOM 869 N HIS A 53 -1.755 46.237 -9.072 1.00 0.00 N ATOM 870 CA HIS A 53 -1.513 47.586 -8.571 1.00 0.00 C ATOM 871 C HIS A 53 -0.193 47.644 -7.809 1.00 0.00 C ATOM 872 O HIS A 53 0.013 46.903 -6.848 1.00 0.00 O ATOM 873 CB HIS A 53 -2.655 48.014 -7.647 1.00 0.00 C ATOM 874 CG HIS A 53 -3.845 48.420 -8.472 1.00 0.00 C ATOM 875 ND1 HIS A 53 -4.802 49.307 -8.001 1.00 0.00 N ATOM 876 CD2 HIS A 53 -4.248 48.072 -9.738 1.00 0.00 C ATOM 877 CE1 HIS A 53 -5.723 49.462 -8.970 1.00 0.00 C ATOM 878 NE2 HIS A 53 -5.433 48.731 -10.050 1.00 0.00 N ATOM 0 H HIS A 53 -2.667 45.850 -8.831 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.461 48.265 -9.422 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.924 47.194 -6.981 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.335 48.845 -7.018 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.725 47.390 -10.392 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.591 50.100 -8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.966 48.669 -10.917 1.00 0.00 H new ATOM 887 N HIS A 54 0.697 48.531 -8.242 1.00 0.00 N ATOM 888 CA HIS A 54 1.993 48.676 -7.591 1.00 0.00 C ATOM 889 C HIS A 54 1.880 48.368 -6.102 1.00 0.00 C ATOM 890 O HIS A 54 2.530 47.454 -5.596 1.00 0.00 O ATOM 891 CB HIS A 54 2.517 50.100 -7.782 1.00 0.00 C ATOM 892 CG HIS A 54 2.120 50.600 -9.143 1.00 0.00 C ATOM 893 ND1 HIS A 54 2.542 49.983 -10.309 1.00 0.00 N ATOM 894 CD2 HIS A 54 1.339 51.658 -9.539 1.00 0.00 C ATOM 895 CE1 HIS A 54 2.016 50.667 -11.343 1.00 0.00 C ATOM 896 NE2 HIS A 54 1.274 51.698 -10.929 1.00 0.00 N ATOM 0 H HIS A 54 0.546 49.155 -9.034 1.00 0.00 H new ATOM 0 HA HIS A 54 2.689 47.970 -8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.113 50.755 -7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.602 50.117 -7.678 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.850 52.353 -8.873 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.175 50.413 -12.381 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.769 52.370 -11.507 1.00 0.00 H new ATOM 905 N HIS A 55 1.049 49.136 -5.405 1.00 0.00 N ATOM 906 CA HIS A 55 0.856 48.934 -3.974 1.00 0.00 C ATOM 907 C HIS A 55 -0.556 48.429 -3.691 1.00 0.00 C ATOM 908 O HIS A 55 -0.969 47.393 -4.210 1.00 0.00 O ATOM 909 CB HIS A 55 1.094 50.246 -3.223 1.00 0.00 C ATOM 910 CG HIS A 55 0.236 51.327 -3.820 1.00 0.00 C ATOM 911 ND1 HIS A 55 0.359 51.722 -5.143 1.00 0.00 N ATOM 912 CD2 HIS A 55 -0.762 52.106 -3.289 1.00 0.00 C ATOM 913 CE1 HIS A 55 -0.543 52.697 -5.361 1.00 0.00 C ATOM 914 NE2 HIS A 55 -1.252 52.970 -4.264 1.00 0.00 N ATOM 0 H HIS A 55 0.502 49.899 -5.804 1.00 0.00 H new ATOM 0 HA HIS A 55 1.572 48.187 -3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.857 50.121 -2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.146 50.526 -3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.114 52.056 -2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.677 53.198 -6.309 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -1.994 53.663 -4.162 1.00 0.00 H new ATOM 923 N HIS A 56 -1.291 49.168 -2.868 1.00 0.00 N ATOM 924 CA HIS A 56 -2.656 48.784 -2.527 1.00 0.00 C ATOM 925 C HIS A 56 -2.656 47.655 -1.500 1.00 0.00 C ATOM 926 O HIS A 56 -3.688 47.030 -1.252 1.00 0.00 O ATOM 927 CB HIS A 56 -3.401 48.333 -3.784 1.00 0.00 C ATOM 928 CG HIS A 56 -4.859 48.677 -3.656 1.00 0.00 C ATOM 929 ND1 HIS A 56 -5.744 47.889 -2.936 1.00 0.00 N ATOM 930 CD2 HIS A 56 -5.603 49.720 -4.150 1.00 0.00 C ATOM 931 CE1 HIS A 56 -6.957 48.463 -3.017 1.00 0.00 C ATOM 932 NE2 HIS A 56 -6.928 49.583 -3.745 1.00 0.00 N ATOM 0 H HIS A 56 -0.968 50.030 -2.428 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.160 49.650 -2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.978 48.818 -4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.281 47.259 -3.924 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.516 47.030 -2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.219 50.524 -4.760 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.847 48.067 -2.550 1.00 0.00 H new ATOM 941 N HIS A 57 -1.495 47.401 -0.906 1.00 0.00 N ATOM 942 CA HIS A 57 -1.376 46.345 0.093 1.00 0.00 C ATOM 943 C HIS A 57 -1.820 45.006 -0.486 1.00 0.00 C ATOM 944 O HIS A 57 -1.180 44.465 -1.387 1.00 0.00 O ATOM 945 CB HIS A 57 -2.233 46.687 1.314 1.00 0.00 C ATOM 946 CG HIS A 57 -2.065 45.621 2.361 1.00 0.00 C ATOM 947 ND1 HIS A 57 -1.475 44.398 2.084 1.00 0.00 N ATOM 948 CD2 HIS A 57 -2.410 45.579 3.690 1.00 0.00 C ATOM 949 CE1 HIS A 57 -1.482 43.678 3.221 1.00 0.00 C ATOM 950 NE2 HIS A 57 -2.041 44.351 4.231 1.00 0.00 N ATOM 0 H HIS A 57 -0.630 47.907 -1.096 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.331 46.267 0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.940 47.656 1.717 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.281 46.766 1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.894 46.378 4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.084 42.678 3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.170 44.033 5.192 1.00 0.00 H new TER 959 HIS A 57