USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 567 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 57 LYS NZ :NH3+ -176:sc= 1.73 (180deg=0.924) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0.0549 USER MOD Set 2.1: A 21 TYR OH : rot 2:sc= 0.943 USER MOD Set 2.2: A 56 ASN : amide:sc= -0.261 X(o=0.68,f=0.88) USER MOD Single : A 1 MET CE :methyl -112:sc= -2.65 (180deg=-5.94!) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.107 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.44 K(o=-2.4,f=-7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= -12.5! (180deg=-27.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= -0.128 (180deg=-0.174) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 58 GLN : amide:sc= -0.0365 X(o=-0.036,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.11) USER MOD Single : A 69 THR OG1 : rot 36:sc= -3.22! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 67:sc= 0.027 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.049 -3.639 3.163 1.00 0.00 N ATOM 2 CA MET A 1 16.322 -2.832 2.190 1.00 0.00 C ATOM 3 C MET A 1 16.047 -1.436 2.780 1.00 0.00 C ATOM 4 O MET A 1 15.959 -1.305 4.001 1.00 0.00 O ATOM 5 CB MET A 1 15.013 -3.545 1.837 1.00 0.00 C ATOM 6 CG MET A 1 15.120 -4.445 0.617 1.00 0.00 C ATOM 7 SD MET A 1 14.956 -6.194 1.024 1.00 0.00 S ATOM 8 CE MET A 1 13.829 -6.735 -0.258 1.00 0.00 C ATOM 0 H1 MET A 1 16.697 -4.617 3.135 1.00 0.00 H new ATOM 0 H2 MET A 1 18.063 -3.630 2.933 1.00 0.00 H new ATOM 0 H3 MET A 1 16.906 -3.246 4.115 1.00 0.00 H new ATOM 0 HA MET A 1 16.913 -2.707 1.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.692 -4.141 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.239 -2.799 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.348 -4.170 -0.101 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.081 -4.278 0.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.871 -7.002 0.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.682 -5.929 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.247 -7.604 -0.767 1.00 0.00 H new ATOM 18 N ASP A 2 15.908 -0.384 1.946 1.00 0.00 N ATOM 19 CA ASP A 2 15.647 0.952 2.490 1.00 0.00 C ATOM 20 C ASP A 2 14.549 1.621 1.700 1.00 0.00 C ATOM 21 O ASP A 2 14.412 1.372 0.517 1.00 0.00 O ATOM 22 CB ASP A 2 16.911 1.809 2.482 1.00 0.00 C ATOM 23 CG ASP A 2 18.134 1.044 2.952 1.00 0.00 C ATOM 24 OD1 ASP A 2 18.454 0.002 2.343 1.00 0.00 O ATOM 25 OD2 ASP A 2 18.773 1.488 3.930 1.00 0.00 O ATOM 0 H ASP A 2 15.970 -0.435 0.929 1.00 0.00 H new ATOM 0 HA ASP A 2 15.327 0.845 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.086 2.183 1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.761 2.678 3.123 1.00 0.00 H new ATOM 30 N LEU A 3 13.734 2.438 2.329 1.00 0.00 N ATOM 31 CA LEU A 3 12.657 3.058 1.584 1.00 0.00 C ATOM 32 C LEU A 3 12.719 4.578 1.497 1.00 0.00 C ATOM 33 O LEU A 3 12.623 5.269 2.511 1.00 0.00 O ATOM 34 CB LEU A 3 11.310 2.638 2.167 1.00 0.00 C ATOM 35 CG LEU A 3 10.351 1.903 1.220 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.181 2.801 0.863 1.00 0.00 C ATOM 37 CD2 LEU A 3 11.044 1.433 -0.052 1.00 0.00 C ATOM 0 H LEU A 3 13.789 2.684 3.317 1.00 0.00 H new ATOM 0 HA LEU A 3 12.777 2.699 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.497 1.997 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.806 3.531 2.537 1.00 0.00 H new ATOM 0 HG LEU A 3 9.993 1.019 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.507 2.270 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.645 3.078 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.550 3.701 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.325 0.919 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.451 2.293 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.853 0.750 0.206 1.00 0.00 H new ATOM 49 N ILE A 4 12.753 5.099 0.270 1.00 0.00 N ATOM 50 CA ILE A 4 12.678 6.544 0.086 1.00 0.00 C ATOM 51 C ILE A 4 11.279 6.838 -0.380 1.00 0.00 C ATOM 52 O ILE A 4 10.880 6.430 -1.469 1.00 0.00 O ATOM 53 CB ILE A 4 13.640 7.061 -0.983 1.00 0.00 C ATOM 54 CG1 ILE A 4 15.055 6.648 -0.636 1.00 0.00 C ATOM 55 CG2 ILE A 4 13.527 8.572 -1.128 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.623 7.375 0.567 1.00 0.00 C ATOM 0 H ILE A 4 12.830 4.556 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 4 12.943 7.030 1.025 1.00 0.00 H new ATOM 0 HB ILE A 4 13.374 6.621 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 4 15.074 5.575 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.699 6.829 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.221 8.917 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 4 12.509 8.835 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 4 13.770 9.048 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.639 7.028 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.636 8.447 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.003 7.173 1.440 1.00 0.00 H new ATOM 68 N ILE A 5 10.515 7.474 0.469 1.00 0.00 N ATOM 69 CA ILE A 5 9.132 7.732 0.159 1.00 0.00 C ATOM 70 C ILE A 5 8.714 9.178 -0.095 1.00 0.00 C ATOM 71 O ILE A 5 9.100 10.100 0.625 1.00 0.00 O ATOM 72 CB ILE A 5 8.227 7.117 1.216 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.815 7.289 2.622 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.035 5.653 0.896 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.166 8.719 2.976 1.00 0.00 C ATOM 0 H ILE A 5 10.824 7.822 1.377 1.00 0.00 H new ATOM 0 HA ILE A 5 9.012 7.256 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 5 7.265 7.629 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.099 6.911 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.711 6.675 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.388 5.198 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.577 5.553 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.002 5.150 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.575 8.754 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.906 9.097 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.269 9.337 2.926 1.00 0.00 H new ATOM 87 N LYS A 6 7.811 9.324 -1.057 1.00 0.00 N ATOM 88 CA LYS A 6 7.176 10.600 -1.367 1.00 0.00 C ATOM 89 C LYS A 6 5.678 10.306 -1.456 1.00 0.00 C ATOM 90 O LYS A 6 5.049 10.407 -2.509 1.00 0.00 O ATOM 91 CB LYS A 6 7.706 11.222 -2.657 1.00 0.00 C ATOM 92 CG LYS A 6 7.918 12.724 -2.563 1.00 0.00 C ATOM 93 CD LYS A 6 8.573 13.277 -3.820 1.00 0.00 C ATOM 94 CE LYS A 6 10.082 13.366 -3.666 1.00 0.00 C ATOM 95 NZ LYS A 6 10.726 13.992 -4.854 1.00 0.00 N ATOM 0 H LYS A 6 7.496 8.555 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 6 7.396 11.337 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.650 10.745 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.007 11.012 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.959 13.218 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.541 12.951 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.330 12.639 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.169 14.266 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.322 13.946 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.491 12.367 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.755 14.034 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.518 13.425 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.355 14.955 -4.983 1.00 0.00 H new ATOM 109 N GLU A 7 5.177 9.838 -0.320 1.00 0.00 N ATOM 110 CA GLU A 7 3.799 9.373 -0.134 1.00 0.00 C ATOM 111 C GLU A 7 2.707 10.429 -0.251 1.00 0.00 C ATOM 112 O GLU A 7 2.765 11.484 0.382 1.00 0.00 O ATOM 113 CB GLU A 7 3.732 8.646 1.206 1.00 0.00 C ATOM 114 CG GLU A 7 4.990 7.822 1.463 1.00 0.00 C ATOM 115 CD GLU A 7 5.931 8.558 2.402 1.00 0.00 C ATOM 116 OE1 GLU A 7 6.326 9.694 2.065 1.00 0.00 O ATOM 117 OE2 GLU A 7 6.270 8.014 3.470 1.00 0.00 O ATOM 0 H GLU A 7 5.735 9.767 0.531 1.00 0.00 H new ATOM 0 HA GLU A 7 3.577 8.711 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.602 9.372 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.859 7.993 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.718 6.859 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.496 7.618 0.519 1.00 0.00 H new ATOM 124 N LYS A 8 1.668 10.092 -1.043 1.00 0.00 N ATOM 125 CA LYS A 8 0.521 10.947 -1.215 1.00 0.00 C ATOM 126 C LYS A 8 -0.713 10.072 -1.017 1.00 0.00 C ATOM 127 O LYS A 8 -0.937 9.153 -1.792 1.00 0.00 O ATOM 128 CB LYS A 8 0.520 11.587 -2.607 1.00 0.00 C ATOM 129 CG LYS A 8 0.347 13.097 -2.581 1.00 0.00 C ATOM 130 CD LYS A 8 1.684 13.812 -2.685 1.00 0.00 C ATOM 131 CE LYS A 8 1.583 15.251 -2.202 1.00 0.00 C ATOM 132 NZ LYS A 8 0.719 16.076 -3.090 1.00 0.00 N ATOM 0 H LYS A 8 1.620 9.220 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 8 0.536 11.765 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.456 11.345 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.283 11.148 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.297 13.405 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.154 13.391 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.430 13.280 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.027 13.797 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.181 15.266 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.580 15.689 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.676 17.049 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.116 16.083 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.239 15.673 -3.114 1.00 0.00 H new ATOM 146 N ARG A 9 -1.479 10.299 0.041 1.00 0.00 N ATOM 147 CA ARG A 9 -2.631 9.439 0.316 1.00 0.00 C ATOM 148 C ARG A 9 -3.973 10.143 0.170 1.00 0.00 C ATOM 149 O ARG A 9 -4.180 11.244 0.684 1.00 0.00 O ATOM 150 CB ARG A 9 -2.513 8.861 1.726 1.00 0.00 C ATOM 151 CG ARG A 9 -2.537 9.916 2.819 1.00 0.00 C ATOM 152 CD ARG A 9 -2.640 9.285 4.198 1.00 0.00 C ATOM 153 NE ARG A 9 -1.863 10.015 5.196 1.00 0.00 N ATOM 154 CZ ARG A 9 -2.281 11.130 5.792 1.00 0.00 C ATOM 155 NH1 ARG A 9 -3.465 11.648 5.489 1.00 0.00 N ATOM 156 NH2 ARG A 9 -1.513 11.729 6.691 1.00 0.00 N ATOM 0 H ARG A 9 -1.333 11.053 0.712 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.611 8.649 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.330 8.159 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.586 8.293 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.633 10.522 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.381 10.587 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.685 9.254 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.291 8.253 4.151 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.946 9.649 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.059 11.192 4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.781 12.502 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.602 11.336 6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.833 12.583 7.147 1.00 0.00 H new ATOM 170 N ASP A 10 -4.892 9.460 -0.505 1.00 0.00 N ATOM 171 CA ASP A 10 -6.244 9.960 -0.698 1.00 0.00 C ATOM 172 C ASP A 10 -7.246 8.905 -0.232 1.00 0.00 C ATOM 173 O ASP A 10 -7.344 7.798 -0.800 1.00 0.00 O ATOM 174 CB ASP A 10 -6.479 10.291 -2.170 1.00 0.00 C ATOM 175 CG ASP A 10 -7.457 11.434 -2.358 1.00 0.00 C ATOM 176 OD1 ASP A 10 -7.547 12.295 -1.457 1.00 0.00 O ATOM 177 OD2 ASP A 10 -8.135 11.470 -3.407 1.00 0.00 O ATOM 0 H ASP A 10 -4.720 8.549 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.377 10.870 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.529 10.549 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.856 9.406 -2.683 1.00 0.00 H new ATOM 182 N ASN A 11 -8.008 9.219 0.799 1.00 0.00 N ATOM 183 CA ASN A 11 -8.955 8.243 1.269 1.00 0.00 C ATOM 184 C ASN A 11 -10.393 8.707 1.114 1.00 0.00 C ATOM 185 O ASN A 11 -10.847 9.615 1.812 1.00 0.00 O ATOM 186 CB ASN A 11 -8.685 7.944 2.744 1.00 0.00 C ATOM 187 CG ASN A 11 -7.383 7.194 2.955 1.00 0.00 C ATOM 188 OD1 ASN A 11 -6.486 7.237 2.115 1.00 0.00 O ATOM 189 ND2 ASN A 11 -7.277 6.501 4.083 1.00 0.00 N ATOM 0 H ASN A 11 -7.990 10.105 1.305 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.828 7.348 0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.656 8.880 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.509 7.357 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.425 5.976 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.047 6.494 4.752 1.00 0.00 H new ATOM 196 N PRO A 12 -11.144 8.043 0.225 1.00 0.00 N ATOM 197 CA PRO A 12 -12.535 8.303 -0.012 1.00 0.00 C ATOM 198 C PRO A 12 -13.340 7.181 0.641 1.00 0.00 C ATOM 199 O PRO A 12 -13.197 6.940 1.840 1.00 0.00 O ATOM 200 CB PRO A 12 -12.573 8.235 -1.538 1.00 0.00 C ATOM 201 CG PRO A 12 -11.595 7.146 -1.878 1.00 0.00 C ATOM 202 CD PRO A 12 -10.710 6.952 -0.658 1.00 0.00 C ATOM 0 HA PRO A 12 -12.940 9.235 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.573 8.001 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.284 9.185 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.117 6.222 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.999 7.420 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.859 5.975 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.652 7.028 -0.908 1.00 0.00 H new ATOM 210 N ILE A 13 -14.134 6.457 -0.135 1.00 0.00 N ATOM 211 CA ILE A 13 -14.876 5.336 0.406 1.00 0.00 C ATOM 212 C ILE A 13 -13.939 4.164 0.713 1.00 0.00 C ATOM 213 O ILE A 13 -14.168 3.403 1.654 1.00 0.00 O ATOM 214 CB ILE A 13 -15.986 4.852 -0.552 1.00 0.00 C ATOM 215 CG1 ILE A 13 -15.397 4.003 -1.694 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.778 6.033 -1.099 1.00 0.00 C ATOM 217 CD1 ILE A 13 -14.714 4.809 -2.781 1.00 0.00 C ATOM 0 H ILE A 13 -14.278 6.626 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.345 5.689 1.324 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.671 4.219 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.679 3.299 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -16.197 3.414 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.555 5.670 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.238 6.576 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -16.109 6.699 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.328 4.135 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.432 5.495 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.891 5.378 -2.349 1.00 0.00 H new ATOM 229 N LEU A 14 -12.920 3.983 -0.140 1.00 0.00 N ATOM 230 CA LEU A 14 -12.002 2.851 0.002 1.00 0.00 C ATOM 231 C LEU A 14 -10.621 3.205 0.558 1.00 0.00 C ATOM 232 O LEU A 14 -9.744 2.344 0.592 1.00 0.00 O ATOM 233 CB LEU A 14 -11.900 2.081 -1.329 1.00 0.00 C ATOM 234 CG LEU A 14 -10.751 2.456 -2.278 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.467 3.950 -2.252 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.500 1.659 -1.939 1.00 0.00 C ATOM 0 H LEU A 14 -12.715 4.600 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.439 2.206 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.813 1.019 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.838 2.214 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.060 2.202 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.649 4.177 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.359 4.495 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.190 4.250 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.696 1.937 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.198 1.875 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.709 0.594 -2.039 1.00 0.00 H new ATOM 248 N LYS A 15 -10.442 4.416 1.077 1.00 0.00 N ATOM 249 CA LYS A 15 -9.176 4.773 1.727 1.00 0.00 C ATOM 250 C LYS A 15 -7.921 4.380 0.917 1.00 0.00 C ATOM 251 O LYS A 15 -7.065 3.662 1.434 1.00 0.00 O ATOM 252 CB LYS A 15 -9.148 4.164 3.134 1.00 0.00 C ATOM 253 CG LYS A 15 -9.373 2.658 3.187 1.00 0.00 C ATOM 254 CD LYS A 15 -10.860 2.311 3.147 1.00 0.00 C ATOM 255 CE LYS A 15 -11.337 1.756 4.480 1.00 0.00 C ATOM 256 NZ LYS A 15 -12.781 2.030 4.716 1.00 0.00 N ATOM 0 H LYS A 15 -11.141 5.158 1.064 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.137 5.861 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.185 4.389 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.911 4.652 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.865 2.184 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.929 2.255 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.436 3.201 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.043 1.579 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.163 0.680 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.749 2.194 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.064 1.635 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.944 3.057 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.346 1.590 3.962 1.00 0.00 H new ATOM 270 N ARG A 16 -7.813 4.812 -0.349 1.00 0.00 N ATOM 271 CA ARG A 16 -6.653 4.438 -1.174 1.00 0.00 C ATOM 272 C ARG A 16 -5.630 5.537 -1.236 1.00 0.00 C ATOM 273 O ARG A 16 -5.933 6.706 -1.054 1.00 0.00 O ATOM 274 CB ARG A 16 -7.092 4.057 -2.590 1.00 0.00 C ATOM 275 CG ARG A 16 -6.108 3.141 -3.305 1.00 0.00 C ATOM 276 CD ARG A 16 -6.761 1.834 -3.729 1.00 0.00 C ATOM 277 NE ARG A 16 -5.879 1.026 -4.567 1.00 0.00 N ATOM 278 CZ ARG A 16 -6.192 -0.187 -5.021 1.00 0.00 C ATOM 279 NH1 ARG A 16 -7.361 -0.735 -4.718 1.00 0.00 N ATOM 280 NH2 ARG A 16 -5.332 -0.853 -5.780 1.00 0.00 N ATOM 0 H ARG A 16 -8.497 5.407 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.190 3.574 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.064 3.566 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.224 4.965 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.709 3.650 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.264 2.930 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.040 1.264 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.681 2.049 -4.273 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.970 1.413 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.026 -0.228 -4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.595 -1.664 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.431 -0.437 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.571 -1.782 -6.128 1.00 0.00 H new ATOM 294 N LYS A 17 -4.394 5.147 -1.463 1.00 0.00 N ATOM 295 CA LYS A 17 -3.322 6.116 -1.507 1.00 0.00 C ATOM 296 C LYS A 17 -2.391 5.891 -2.702 1.00 0.00 C ATOM 297 O LYS A 17 -2.317 4.770 -3.238 1.00 0.00 O ATOM 298 CB LYS A 17 -2.594 6.048 -0.166 1.00 0.00 C ATOM 299 CG LYS A 17 -1.098 6.243 -0.235 1.00 0.00 C ATOM 300 CD LYS A 17 -0.348 4.923 -0.151 1.00 0.00 C ATOM 301 CE LYS A 17 -0.634 4.021 -1.343 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.115 4.555 -2.617 1.00 0.00 N ATOM 0 H LYS A 17 -4.110 4.180 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.721 7.119 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.013 6.806 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.797 5.079 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.841 6.748 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.779 6.894 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.723 5.119 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.627 4.407 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.194 3.041 -1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.711 3.876 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.885 4.597 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.266 5.511 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.640 3.934 -2.972 1.00 0.00 H new ATOM 316 N GLU A 18 -1.661 6.963 -3.083 1.00 0.00 N ATOM 317 CA GLU A 18 -0.686 6.934 -4.174 1.00 0.00 C ATOM 318 C GLU A 18 0.605 7.573 -3.684 1.00 0.00 C ATOM 319 O GLU A 18 0.664 8.782 -3.465 1.00 0.00 O ATOM 320 CB GLU A 18 -1.188 7.665 -5.414 1.00 0.00 C ATOM 321 CG GLU A 18 -2.660 8.054 -5.361 1.00 0.00 C ATOM 322 CD GLU A 18 -3.264 8.234 -6.740 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.903 7.462 -7.651 1.00 0.00 O ATOM 324 OE2 GLU A 18 -4.097 9.150 -6.907 1.00 0.00 O ATOM 0 H GLU A 18 -1.739 7.875 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.520 5.896 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.591 8.566 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.023 7.032 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.216 7.287 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.767 8.981 -4.797 1.00 0.00 H new ATOM 331 N ILE A 19 1.620 6.764 -3.475 1.00 0.00 N ATOM 332 CA ILE A 19 2.884 7.254 -2.962 1.00 0.00 C ATOM 333 C ILE A 19 4.050 6.756 -3.776 1.00 0.00 C ATOM 334 O ILE A 19 4.012 5.670 -4.342 1.00 0.00 O ATOM 335 CB ILE A 19 3.104 6.887 -1.480 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.629 5.484 -1.339 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.818 7.040 -0.687 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.710 4.481 -1.949 1.00 0.00 C ATOM 0 H ILE A 19 1.596 5.760 -3.653 1.00 0.00 H new ATOM 0 HA ILE A 19 2.831 8.340 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 19 3.848 7.576 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.608 5.414 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.768 5.253 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.999 6.775 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.476 8.073 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.055 6.381 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.128 3.482 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.738 4.532 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.591 4.695 -3.011 1.00 0.00 H new ATOM 350 N LYS A 20 5.082 7.560 -3.830 1.00 0.00 N ATOM 351 CA LYS A 20 6.271 7.191 -4.585 1.00 0.00 C ATOM 352 C LYS A 20 7.307 6.583 -3.633 1.00 0.00 C ATOM 353 O LYS A 20 7.484 7.064 -2.515 1.00 0.00 O ATOM 354 CB LYS A 20 6.855 8.426 -5.252 1.00 0.00 C ATOM 355 CG LYS A 20 8.023 8.994 -4.479 1.00 0.00 C ATOM 356 CD LYS A 20 9.310 8.284 -4.863 1.00 0.00 C ATOM 357 CE LYS A 20 10.482 9.248 -4.945 1.00 0.00 C ATOM 358 NZ LYS A 20 10.630 9.832 -6.307 1.00 0.00 N ATOM 0 H LYS A 20 5.131 8.468 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 20 6.005 6.461 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.178 8.173 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.080 9.187 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.115 10.061 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.846 8.885 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.529 7.507 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.179 7.788 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.343 10.050 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.400 8.727 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.441 10.483 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.788 9.070 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.765 10.351 -6.558 1.00 0.00 H new ATOM 372 N TYR A 21 7.948 5.493 -4.046 1.00 0.00 N ATOM 373 CA TYR A 21 8.910 4.826 -3.163 1.00 0.00 C ATOM 374 C TYR A 21 10.182 4.303 -3.855 1.00 0.00 C ATOM 375 O TYR A 21 10.134 3.794 -4.977 1.00 0.00 O ATOM 376 CB TYR A 21 8.173 3.666 -2.491 1.00 0.00 C ATOM 377 CG TYR A 21 8.248 2.371 -3.272 1.00 0.00 C ATOM 378 CD1 TYR A 21 7.788 2.302 -4.582 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.767 1.220 -2.700 1.00 0.00 C ATOM 380 CE1 TYR A 21 7.844 1.122 -5.297 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.829 0.035 -3.410 1.00 0.00 C ATOM 382 CZ TYR A 21 8.365 -0.007 -4.707 1.00 0.00 C ATOM 383 OH TYR A 21 8.425 -1.187 -5.414 1.00 0.00 O ATOM 0 H TYR A 21 7.827 5.059 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 21 9.271 5.571 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.592 3.507 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.127 3.940 -2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.380 3.186 -5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 21 9.129 1.249 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.481 1.085 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.239 -0.852 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 21 8.084 -1.042 -6.321 1.00 0.00 H new ATOM 393 N VAL A 22 11.295 4.338 -3.109 1.00 0.00 N ATOM 394 CA VAL A 22 12.577 3.763 -3.570 1.00 0.00 C ATOM 395 C VAL A 22 13.032 2.751 -2.526 1.00 0.00 C ATOM 396 O VAL A 22 12.972 3.022 -1.339 1.00 0.00 O ATOM 397 CB VAL A 22 13.735 4.791 -3.811 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.862 4.623 -2.792 1.00 0.00 C ATOM 399 CG2 VAL A 22 14.329 4.625 -5.209 1.00 0.00 C ATOM 0 H VAL A 22 11.338 4.758 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 22 12.379 3.322 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 22 13.296 5.783 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.646 5.354 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.470 4.778 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.275 3.617 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.131 5.350 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.728 3.616 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.553 4.790 -5.956 1.00 0.00 H new ATOM 409 N LEU A 23 13.504 1.596 -2.946 1.00 0.00 N ATOM 410 CA LEU A 23 13.964 0.610 -2.032 1.00 0.00 C ATOM 411 C LEU A 23 15.445 0.449 -2.242 1.00 0.00 C ATOM 412 O LEU A 23 15.892 0.176 -3.358 1.00 0.00 O ATOM 413 CB LEU A 23 13.243 -0.730 -2.271 1.00 0.00 C ATOM 414 CG LEU A 23 13.702 -1.908 -1.395 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.820 -2.044 -0.164 1.00 0.00 C ATOM 416 CD2 LEU A 23 13.696 -3.213 -2.188 1.00 0.00 C ATOM 0 H LEU A 23 13.573 1.329 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 23 13.754 0.919 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.175 -0.579 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.373 -1.008 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 23 14.722 -1.702 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.165 -2.884 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.873 -1.128 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.789 -2.218 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.024 -4.030 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.687 -3.416 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.372 -3.125 -3.038 1.00 0.00 H new ATOM 428 N LYS A 24 16.207 0.611 -1.192 1.00 0.00 N ATOM 429 CA LYS A 24 17.632 0.469 -1.320 1.00 0.00 C ATOM 430 C LYS A 24 18.000 -0.885 -0.807 1.00 0.00 C ATOM 431 O LYS A 24 17.705 -1.242 0.324 1.00 0.00 O ATOM 432 CB LYS A 24 18.367 1.546 -0.532 1.00 0.00 C ATOM 433 CG LYS A 24 17.776 2.931 -0.702 1.00 0.00 C ATOM 434 CD LYS A 24 18.284 3.873 0.373 1.00 0.00 C ATOM 435 CE LYS A 24 17.150 4.637 1.025 1.00 0.00 C ATOM 436 NZ LYS A 24 17.551 5.226 2.332 1.00 0.00 N ATOM 0 H LYS A 24 15.872 0.837 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 24 17.921 0.580 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.356 1.282 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.411 1.565 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.034 3.323 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.688 2.874 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.824 3.305 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.993 4.576 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.817 5.431 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.302 3.969 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.724 5.667 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.924 4.478 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.286 5.946 2.178 1.00 0.00 H new ATOM 450 N PHE A 25 18.608 -1.660 -1.663 1.00 0.00 N ATOM 451 CA PHE A 25 18.955 -2.998 -1.306 1.00 0.00 C ATOM 452 C PHE A 25 20.453 -3.198 -1.287 1.00 0.00 C ATOM 453 O PHE A 25 21.171 -2.780 -2.194 1.00 0.00 O ATOM 454 CB PHE A 25 18.277 -3.963 -2.274 1.00 0.00 C ATOM 455 CG PHE A 25 18.086 -3.438 -3.672 1.00 0.00 C ATOM 456 CD1 PHE A 25 16.993 -2.648 -3.991 1.00 0.00 C ATOM 457 CD2 PHE A 25 18.993 -3.756 -4.671 1.00 0.00 C ATOM 458 CE1 PHE A 25 16.811 -2.183 -5.279 1.00 0.00 C ATOM 459 CE2 PHE A 25 18.817 -3.291 -5.960 1.00 0.00 C ATOM 460 CZ PHE A 25 17.725 -2.503 -6.264 1.00 0.00 C ATOM 0 H PHE A 25 18.871 -1.384 -2.609 1.00 0.00 H new ATOM 0 HA PHE A 25 18.603 -3.198 -0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 25 18.868 -4.878 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.302 -4.235 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.276 -2.393 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 25 19.847 -4.375 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.954 -1.569 -5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.533 -3.544 -6.729 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.586 -2.137 -7.271 1.00 0.00 H new ATOM 470 N ASP A 26 20.908 -3.833 -0.225 1.00 0.00 N ATOM 471 CA ASP A 26 22.328 -4.096 -0.043 1.00 0.00 C ATOM 472 C ASP A 26 22.787 -5.287 -0.882 1.00 0.00 C ATOM 473 O ASP A 26 22.063 -6.270 -1.033 1.00 0.00 O ATOM 474 CB ASP A 26 22.622 -4.330 1.437 1.00 0.00 C ATOM 475 CG ASP A 26 22.188 -5.704 1.915 1.00 0.00 C ATOM 476 OD1 ASP A 26 20.969 -5.971 1.928 1.00 0.00 O ATOM 477 OD2 ASP A 26 23.070 -6.512 2.275 1.00 0.00 O ATOM 0 H ASP A 26 20.315 -4.179 0.529 1.00 0.00 H new ATOM 0 HA ASP A 26 22.887 -3.225 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 26 23.691 -4.210 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.114 -3.568 2.028 1.00 0.00 H new ATOM 567 N ARG A 33 9.850 -10.556 2.263 1.00 0.00 N ATOM 568 CA ARG A 33 8.469 -10.139 2.041 1.00 0.00 C ATOM 569 C ARG A 33 8.102 -8.944 2.920 1.00 0.00 C ATOM 570 O ARG A 33 7.556 -7.950 2.449 1.00 0.00 O ATOM 571 CB ARG A 33 7.505 -11.302 2.300 1.00 0.00 C ATOM 572 CG ARG A 33 7.735 -12.020 3.623 1.00 0.00 C ATOM 573 CD ARG A 33 6.625 -11.727 4.623 1.00 0.00 C ATOM 574 NE ARG A 33 6.036 -12.953 5.157 1.00 0.00 N ATOM 575 CZ ARG A 33 5.345 -13.825 4.426 1.00 0.00 C ATOM 576 NH1 ARG A 33 5.151 -13.607 3.131 1.00 0.00 N ATOM 577 NH2 ARG A 33 4.846 -14.917 4.991 1.00 0.00 N ATOM 0 HA ARG A 33 8.379 -9.834 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.483 -10.924 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.596 -12.023 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.793 -13.094 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.693 -11.713 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.023 -11.129 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.850 -11.132 4.141 1.00 0.00 H new ATOM 0 HE ARG A 33 6.162 -13.153 6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.532 -12.769 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.621 -14.278 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.992 -15.089 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.317 -15.585 4.430 1.00 0.00 H new ATOM 591 N GLU A 34 8.407 -9.071 4.210 1.00 0.00 N ATOM 592 CA GLU A 34 8.118 -8.032 5.195 1.00 0.00 C ATOM 593 C GLU A 34 9.077 -6.852 5.094 1.00 0.00 C ATOM 594 O GLU A 34 8.668 -5.701 5.231 1.00 0.00 O ATOM 595 CB GLU A 34 8.177 -8.621 6.605 1.00 0.00 C ATOM 596 CG GLU A 34 7.169 -8.009 7.564 1.00 0.00 C ATOM 597 CD GLU A 34 7.809 -7.510 8.846 1.00 0.00 C ATOM 598 OE1 GLU A 34 8.914 -7.988 9.183 1.00 0.00 O ATOM 599 OE2 GLU A 34 7.207 -6.644 9.513 1.00 0.00 O ATOM 0 H GLU A 34 8.861 -9.896 4.601 1.00 0.00 H new ATOM 0 HA GLU A 34 7.116 -7.659 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.005 -9.696 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.180 -8.480 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.660 -7.181 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.408 -8.751 7.807 1.00 0.00 H new ATOM 606 N GLU A 35 10.361 -7.136 4.902 1.00 0.00 N ATOM 607 CA GLU A 35 11.361 -6.077 4.852 1.00 0.00 C ATOM 608 C GLU A 35 11.048 -5.043 3.775 1.00 0.00 C ATOM 609 O GLU A 35 10.991 -3.852 4.068 1.00 0.00 O ATOM 610 CB GLU A 35 12.748 -6.673 4.610 1.00 0.00 C ATOM 611 CG GLU A 35 13.876 -5.858 5.220 1.00 0.00 C ATOM 612 CD GLU A 35 13.899 -5.938 6.734 1.00 0.00 C ATOM 613 OE1 GLU A 35 14.422 -6.938 7.267 1.00 0.00 O ATOM 614 OE2 GLU A 35 13.393 -4.999 7.385 1.00 0.00 O ATOM 0 H GLU A 35 10.730 -8.079 4.780 1.00 0.00 H new ATOM 0 HA GLU A 35 11.343 -5.568 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.777 -7.682 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.914 -6.761 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.829 -6.212 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.772 -4.816 4.916 1.00 0.00 H new ATOM 621 N ILE A 36 10.824 -5.479 2.543 1.00 0.00 N ATOM 622 CA ILE A 36 10.506 -4.534 1.476 1.00 0.00 C ATOM 623 C ILE A 36 9.070 -4.030 1.604 1.00 0.00 C ATOM 624 O ILE A 36 8.824 -2.837 1.668 1.00 0.00 O ATOM 625 CB ILE A 36 10.728 -5.151 0.073 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.276 -4.183 -1.024 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.997 -6.478 -0.066 1.00 0.00 C ATOM 628 CD1 ILE A 36 10.517 -4.703 -2.424 1.00 0.00 C ATOM 0 H ILE A 36 10.855 -6.458 2.259 1.00 0.00 H new ATOM 0 HA ILE A 36 11.188 -3.691 1.584 1.00 0.00 H new ATOM 0 HB ILE A 36 11.796 -5.335 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.213 -3.976 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.802 -3.236 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.171 -6.887 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.367 -7.177 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.928 -6.322 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.173 -3.966 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.582 -4.883 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.969 -5.635 -2.565 1.00 0.00 H new ATOM 640 N LYS A 37 8.139 -4.960 1.641 1.00 0.00 N ATOM 641 CA LYS A 37 6.706 -4.646 1.753 1.00 0.00 C ATOM 642 C LYS A 37 6.368 -3.806 2.968 1.00 0.00 C ATOM 643 O LYS A 37 5.724 -2.764 2.840 1.00 0.00 O ATOM 644 CB LYS A 37 5.879 -5.932 1.762 1.00 0.00 C ATOM 645 CG LYS A 37 4.444 -5.736 1.303 1.00 0.00 C ATOM 646 CD LYS A 37 4.349 -5.677 -0.214 1.00 0.00 C ATOM 647 CE LYS A 37 4.751 -7.000 -0.851 1.00 0.00 C ATOM 648 NZ LYS A 37 5.836 -6.825 -1.854 1.00 0.00 N ATOM 0 H LYS A 37 8.341 -5.959 1.595 1.00 0.00 H new ATOM 0 HA LYS A 37 6.455 -4.047 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.360 -6.668 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.876 -6.345 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.826 -6.553 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.046 -4.815 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.329 -5.427 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.993 -4.881 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.081 -7.691 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.882 -7.451 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.081 -7.748 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.512 -6.186 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.674 -6.418 -1.391 1.00 0.00 H new ATOM 662 N GLU A 38 6.759 -4.245 4.140 1.00 0.00 N ATOM 663 CA GLU A 38 6.437 -3.488 5.328 1.00 0.00 C ATOM 664 C GLU A 38 7.208 -2.171 5.368 1.00 0.00 C ATOM 665 O GLU A 38 6.685 -1.157 5.811 1.00 0.00 O ATOM 666 CB GLU A 38 6.641 -4.343 6.573 1.00 0.00 C ATOM 667 CG GLU A 38 7.999 -4.198 7.257 1.00 0.00 C ATOM 668 CD GLU A 38 7.902 -3.545 8.623 1.00 0.00 C ATOM 669 OE1 GLU A 38 7.305 -4.157 9.533 1.00 0.00 O ATOM 670 OE2 GLU A 38 8.429 -2.424 8.782 1.00 0.00 O ATOM 0 H GLU A 38 7.289 -5.102 4.297 1.00 0.00 H new ATOM 0 HA GLU A 38 5.382 -3.216 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.862 -4.095 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.501 -5.389 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.455 -5.182 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.659 -3.607 6.623 1.00 0.00 H new ATOM 677 N LEU A 39 8.435 -2.156 4.873 1.00 0.00 N ATOM 678 CA LEU A 39 9.184 -0.913 4.854 1.00 0.00 C ATOM 679 C LEU A 39 8.606 0.015 3.786 1.00 0.00 C ATOM 680 O LEU A 39 8.639 1.235 3.935 1.00 0.00 O ATOM 681 CB LEU A 39 10.683 -1.185 4.650 1.00 0.00 C ATOM 682 CG LEU A 39 11.393 -0.336 3.596 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.783 0.062 4.070 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.473 -1.093 2.281 1.00 0.00 C ATOM 0 H LEU A 39 8.922 -2.966 4.489 1.00 0.00 H new ATOM 0 HA LEU A 39 9.089 -0.411 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.189 -1.038 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.806 -2.234 4.382 1.00 0.00 H new ATOM 0 HG LEU A 39 10.816 0.575 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.270 0.666 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.702 0.640 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.375 -0.834 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.981 -0.478 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.029 -2.019 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.466 -1.326 1.933 1.00 0.00 H new ATOM 696 N ILE A 40 8.067 -0.568 2.715 1.00 0.00 N ATOM 697 CA ILE A 40 7.480 0.229 1.650 1.00 0.00 C ATOM 698 C ILE A 40 6.091 0.760 2.000 1.00 0.00 C ATOM 699 O ILE A 40 5.879 1.951 1.926 1.00 0.00 O ATOM 700 CB ILE A 40 7.474 -0.497 0.287 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.519 -1.676 0.279 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.879 -0.951 -0.079 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.624 -2.495 -0.987 1.00 0.00 C ATOM 0 H ILE A 40 8.027 -1.576 2.567 1.00 0.00 H new ATOM 0 HA ILE A 40 8.136 1.093 1.548 1.00 0.00 H new ATOM 0 HB ILE A 40 7.124 0.214 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.726 -2.313 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.497 -1.313 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.857 -1.461 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.537 -0.084 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.251 -1.634 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.920 -3.326 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.390 -1.867 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.638 -2.883 -1.086 1.00 0.00 H new ATOM 715 N ALA A 41 5.148 -0.098 2.386 1.00 0.00 N ATOM 716 CA ALA A 41 3.791 0.373 2.726 1.00 0.00 C ATOM 717 C ALA A 41 3.791 1.307 3.918 1.00 0.00 C ATOM 718 O ALA A 41 3.184 2.389 3.912 1.00 0.00 O ATOM 719 CB ALA A 41 2.875 -0.789 3.060 1.00 0.00 C ATOM 0 H ALA A 41 5.286 -1.105 2.473 1.00 0.00 H new ATOM 0 HA ALA A 41 3.433 0.905 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.883 -0.411 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.806 -1.457 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.277 -1.336 3.913 1.00 0.00 H new ATOM 725 N LYS A 42 4.448 0.857 4.958 1.00 0.00 N ATOM 726 CA LYS A 42 4.506 1.595 6.191 1.00 0.00 C ATOM 727 C LYS A 42 5.029 2.984 5.917 1.00 0.00 C ATOM 728 O LYS A 42 4.360 3.972 6.243 1.00 0.00 O ATOM 729 CB LYS A 42 5.317 0.779 7.191 1.00 0.00 C ATOM 730 CG LYS A 42 4.795 -0.662 7.261 1.00 0.00 C ATOM 731 CD LYS A 42 5.382 -1.442 8.422 1.00 0.00 C ATOM 732 CE LYS A 42 4.573 -2.703 8.695 1.00 0.00 C ATOM 733 NZ LYS A 42 3.583 -2.503 9.790 1.00 0.00 N ATOM 0 H LYS A 42 4.955 -0.028 4.972 1.00 0.00 H new ATOM 0 HA LYS A 42 3.524 1.745 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.368 0.777 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.260 1.241 8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.709 -0.647 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.030 -1.175 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.415 -1.709 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.399 -0.816 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.053 -3.004 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.248 -3.517 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.053 -3.385 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.081 -2.241 10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.923 -1.744 9.527 1.00 0.00 H new ATOM 747 N HIS A 43 6.146 3.065 5.208 1.00 0.00 N ATOM 748 CA HIS A 43 6.677 4.350 4.797 1.00 0.00 C ATOM 749 C HIS A 43 5.661 5.014 3.894 1.00 0.00 C ATOM 750 O HIS A 43 5.357 6.194 4.026 1.00 0.00 O ATOM 751 CB HIS A 43 7.957 4.171 4.005 1.00 0.00 C ATOM 752 CG HIS A 43 9.186 4.033 4.850 1.00 0.00 C ATOM 753 ND1 HIS A 43 10.220 4.945 4.832 1.00 0.00 N ATOM 754 CD2 HIS A 43 9.543 3.078 5.741 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.161 4.556 5.675 1.00 0.00 C ATOM 756 NE2 HIS A 43 10.774 3.428 6.240 1.00 0.00 N ATOM 0 H HIS A 43 6.697 2.260 4.909 1.00 0.00 H new ATOM 0 HA HIS A 43 6.882 4.950 5.684 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.861 3.286 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.081 5.025 3.339 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.967 2.204 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.089 5.074 5.868 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.303 2.901 6.935 1.00 0.00 H new ATOM 765 N GLU A 44 5.125 4.209 2.983 1.00 0.00 N ATOM 766 CA GLU A 44 4.121 4.655 2.036 1.00 0.00 C ATOM 767 C GLU A 44 3.004 5.405 2.732 1.00 0.00 C ATOM 768 O GLU A 44 2.203 6.083 2.094 1.00 0.00 O ATOM 769 CB GLU A 44 3.599 3.485 1.221 1.00 0.00 C ATOM 770 CG GLU A 44 4.592 3.003 0.159 1.00 0.00 C ATOM 771 CD GLU A 44 4.336 1.583 -0.321 1.00 0.00 C ATOM 772 OE1 GLU A 44 3.216 1.290 -0.773 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.269 0.770 -0.278 1.00 0.00 O ATOM 0 H GLU A 44 5.379 3.226 2.884 1.00 0.00 H new ATOM 0 HA GLU A 44 4.588 5.356 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.364 2.659 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.668 3.775 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.552 3.678 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.602 3.063 0.565 1.00 0.00 H new ATOM 780 N GLY A 45 2.961 5.291 4.047 1.00 0.00 N ATOM 781 CA GLY A 45 1.949 5.977 4.797 1.00 0.00 C ATOM 782 C GLY A 45 0.861 5.011 5.183 1.00 0.00 C ATOM 783 O GLY A 45 -0.300 5.389 5.332 1.00 0.00 O ATOM 0 H GLY A 45 3.610 4.735 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.385 6.424 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.532 6.791 4.204 1.00 0.00 H new ATOM 787 N VAL A 46 1.232 3.731 5.253 1.00 0.00 N ATOM 788 CA VAL A 46 0.249 2.690 5.518 1.00 0.00 C ATOM 789 C VAL A 46 0.822 1.432 6.174 1.00 0.00 C ATOM 790 O VAL A 46 2.024 1.248 6.243 1.00 0.00 O ATOM 791 CB VAL A 46 -0.442 2.321 4.207 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.727 3.125 4.050 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.498 2.563 3.025 1.00 0.00 C ATOM 0 H VAL A 46 2.189 3.399 5.132 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.456 3.102 6.240 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.698 1.262 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.213 2.855 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.397 2.907 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.492 4.189 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.008 2.296 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.780 3.615 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.392 1.951 3.140 1.00 0.00 H new ATOM 803 N ASP A 47 -0.069 0.560 6.647 1.00 0.00 N ATOM 804 CA ASP A 47 0.330 -0.693 7.296 1.00 0.00 C ATOM 805 C ASP A 47 0.723 -1.781 6.287 1.00 0.00 C ATOM 806 O ASP A 47 0.728 -1.563 5.076 1.00 0.00 O ATOM 807 CB ASP A 47 -0.812 -1.216 8.162 1.00 0.00 C ATOM 808 CG ASP A 47 -1.541 -0.111 8.902 1.00 0.00 C ATOM 809 OD1 ASP A 47 -1.080 0.273 9.998 1.00 0.00 O ATOM 810 OD2 ASP A 47 -2.570 0.372 8.386 1.00 0.00 O ATOM 0 H ASP A 47 -1.078 0.698 6.593 1.00 0.00 H new ATOM 0 HA ASP A 47 1.205 -0.467 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.521 -1.756 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.417 -1.931 8.883 1.00 0.00 H new ATOM 815 N LYS A 48 1.052 -2.961 6.827 1.00 0.00 N ATOM 816 CA LYS A 48 1.460 -4.127 6.037 1.00 0.00 C ATOM 817 C LYS A 48 0.313 -4.709 5.206 1.00 0.00 C ATOM 818 O LYS A 48 0.544 -5.338 4.177 1.00 0.00 O ATOM 819 CB LYS A 48 2.024 -5.210 6.959 1.00 0.00 C ATOM 820 CG LYS A 48 1.125 -5.524 8.144 1.00 0.00 C ATOM 821 CD LYS A 48 1.160 -7.003 8.493 1.00 0.00 C ATOM 822 CE LYS A 48 2.009 -7.263 9.728 1.00 0.00 C ATOM 823 NZ LYS A 48 1.641 -8.540 10.397 1.00 0.00 N ATOM 0 H LYS A 48 1.042 -3.134 7.832 1.00 0.00 H new ATOM 0 HA LYS A 48 2.226 -3.786 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.183 -6.121 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.999 -4.891 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.441 -4.938 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.102 -5.227 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.145 -7.362 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.559 -7.568 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.061 -7.292 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.890 -6.438 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.243 -8.680 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.644 -8.504 10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.779 -9.331 9.736 1.00 0.00 H new ATOM 837 N GLU A 49 -0.918 -4.528 5.657 1.00 0.00 N ATOM 838 CA GLU A 49 -2.072 -5.059 4.924 1.00 10.00 C ATOM 839 C GLU A 49 -2.329 -4.224 3.667 1.00 0.00 C ATOM 840 O GLU A 49 -2.654 -4.748 2.605 1.00 0.00 O ATOM 841 CB GLU A 49 -3.323 -5.058 5.813 1.00 0.00 C ATOM 842 CG GLU A 49 -3.538 -6.328 6.638 1.00 0.00 C ATOM 843 CD GLU A 49 -2.934 -7.574 6.012 1.00 0.00 C ATOM 844 OE1 GLU A 49 -1.701 -7.749 6.110 1.00 0.00 O ATOM 845 OE2 GLU A 49 -3.693 -8.373 5.427 1.00 0.00 O ATOM 0 H GLU A 49 -1.149 -4.026 6.514 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.850 -6.086 4.632 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -3.265 -4.208 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.198 -4.902 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.106 -6.184 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.608 -6.484 6.776 1.00 0.00 H new ATOM 852 N LEU A 50 -2.199 -2.918 3.835 1.00 0.00 N ATOM 853 CA LEU A 50 -2.416 -1.925 2.806 1.00 0.00 C ATOM 854 C LEU A 50 -1.281 -1.830 1.794 1.00 0.00 C ATOM 855 O LEU A 50 -1.160 -0.812 1.133 1.00 0.00 O ATOM 856 CB LEU A 50 -2.592 -0.554 3.487 1.00 0.00 C ATOM 857 CG LEU A 50 -2.946 -0.556 4.989 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.433 0.820 5.413 1.00 0.00 C ATOM 859 CD2 LEU A 50 -3.995 -1.610 5.325 1.00 0.00 C ATOM 0 H LEU A 50 -1.928 -2.509 4.729 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.304 -2.227 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.668 0.009 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.373 -0.010 2.956 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.040 -0.806 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.680 0.807 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.649 1.555 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.320 1.086 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.215 -1.577 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.906 -1.410 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.615 -2.598 5.063 1.00 0.00 H new ATOM 871 N VAL A 51 -0.432 -2.845 1.661 1.00 0.00 N ATOM 872 CA VAL A 51 0.673 -2.720 0.710 1.00 0.00 C ATOM 873 C VAL A 51 0.414 -3.363 -0.652 1.00 0.00 C ATOM 874 O VAL A 51 0.353 -4.586 -0.782 1.00 0.00 O ATOM 875 CB VAL A 51 1.951 -3.360 1.281 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.176 -2.574 0.855 1.00 0.00 C ATOM 877 CG2 VAL A 51 1.868 -3.477 2.797 1.00 0.00 C ATOM 0 H VAL A 51 -0.479 -3.726 2.173 1.00 0.00 H new ATOM 0 HA VAL A 51 0.783 -1.646 0.559 1.00 0.00 H new ATOM 0 HB VAL A 51 2.042 -4.368 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.070 -3.041 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.242 -2.564 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.098 -1.551 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.782 -3.932 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.748 -2.485 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.014 -4.098 3.068 1.00 0.00 H new ATOM 887 N ILE A 52 0.369 -2.512 -1.679 1.00 0.00 N ATOM 888 CA ILE A 52 0.242 -2.950 -3.068 1.00 0.00 C ATOM 889 C ILE A 52 1.275 -2.219 -3.919 1.00 0.00 C ATOM 890 O ILE A 52 1.080 -1.043 -4.213 1.00 0.00 O ATOM 891 CB ILE A 52 -1.160 -2.698 -3.683 1.00 0.00 C ATOM 892 CG1 ILE A 52 -2.131 -2.100 -2.666 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.726 -3.993 -4.245 1.00 0.00 C ATOM 894 CD1 ILE A 52 -3.113 -1.123 -3.275 1.00 0.00 C ATOM 0 H ILE A 52 0.420 -1.499 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 52 0.402 -4.028 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.039 -1.974 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.684 -2.907 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.562 -1.594 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.710 -3.804 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.060 -4.376 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.814 -4.729 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.772 -0.737 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.568 -0.297 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.707 -1.630 -4.035 1.00 0.00 H new ATOM 906 N VAL A 53 2.352 -2.864 -4.348 1.00 0.00 N ATOM 907 CA VAL A 53 3.314 -2.142 -5.180 1.00 0.00 C ATOM 908 C VAL A 53 3.745 -2.960 -6.399 1.00 0.00 C ATOM 909 O VAL A 53 4.418 -3.984 -6.285 1.00 0.00 O ATOM 910 CB VAL A 53 4.548 -1.672 -4.355 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.150 -1.281 -2.935 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.635 -2.726 -4.306 1.00 0.00 C ATOM 0 H VAL A 53 2.579 -3.838 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 53 2.804 -1.252 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 53 4.945 -0.796 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.034 -0.958 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.427 -0.466 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.704 -2.140 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.476 -2.355 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.243 -3.632 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.970 -2.951 -5.319 1.00 0.00 H new ATOM 922 N ASP A 54 3.349 -2.468 -7.575 1.00 0.00 N ATOM 923 CA ASP A 54 3.679 -3.105 -8.846 1.00 0.00 C ATOM 924 C ASP A 54 4.555 -2.201 -9.698 1.00 0.00 C ATOM 925 O ASP A 54 4.515 -0.978 -9.562 1.00 0.00 O ATOM 926 CB ASP A 54 2.404 -3.470 -9.610 1.00 0.00 C ATOM 927 CG ASP A 54 1.877 -4.840 -9.234 1.00 0.00 C ATOM 928 OD1 ASP A 54 2.697 -5.719 -8.891 1.00 0.00 O ATOM 929 OD2 ASP A 54 0.645 -5.037 -9.282 1.00 0.00 O ATOM 0 H ASP A 54 2.792 -1.619 -7.670 1.00 0.00 H new ATOM 0 HA ASP A 54 4.235 -4.017 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.637 -2.721 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.605 -3.442 -10.681 1.00 0.00 H new ATOM 934 N ASN A 55 5.331 -2.807 -10.588 1.00 0.00 N ATOM 935 CA ASN A 55 6.206 -2.058 -11.479 1.00 0.00 C ATOM 936 C ASN A 55 7.151 -1.160 -10.690 1.00 0.00 C ATOM 937 O ASN A 55 6.806 -0.651 -9.625 1.00 0.00 O ATOM 938 CB ASN A 55 5.377 -1.217 -12.453 1.00 0.00 C ATOM 939 CG ASN A 55 4.803 -2.044 -13.585 1.00 0.00 C ATOM 940 OD1 ASN A 55 3.775 -2.702 -13.429 1.00 0.00 O ATOM 941 ND2 ASN A 55 5.466 -2.013 -14.735 1.00 0.00 N ATOM 0 H ASN A 55 5.372 -3.819 -10.712 1.00 0.00 H new ATOM 0 HA ASN A 55 6.804 -2.773 -12.044 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.564 -0.734 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.000 -0.424 -12.866 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.127 -2.549 -15.534 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.315 -1.453 -14.820 1.00 0.00 H new ATOM 948 N ASN A 56 8.350 -0.976 -11.216 1.00 0.00 N ATOM 949 CA ASN A 56 9.344 -0.143 -10.551 1.00 0.00 C ATOM 950 C ASN A 56 10.240 0.591 -11.545 1.00 0.00 C ATOM 951 O ASN A 56 10.947 -0.029 -12.339 1.00 0.00 O ATOM 952 CB ASN A 56 10.205 -0.999 -9.624 1.00 0.00 C ATOM 953 CG ASN A 56 9.729 -0.954 -8.187 1.00 0.00 C ATOM 954 OD1 ASN A 56 8.826 -1.692 -7.796 1.00 0.00 O ATOM 955 ND2 ASN A 56 10.339 -0.081 -7.392 1.00 0.00 N ATOM 0 H ASN A 56 8.660 -1.388 -12.096 1.00 0.00 H new ATOM 0 HA ASN A 56 8.804 0.607 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.196 -2.031 -9.975 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.238 -0.655 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.063 -0.003 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.083 0.511 -7.761 1.00 0.00 H new ATOM 962 N LYS A 57 10.230 1.920 -11.467 1.00 0.00 N ATOM 963 CA LYS A 57 11.065 2.750 -12.325 1.00 0.00 C ATOM 964 C LYS A 57 12.414 2.980 -11.640 1.00 0.00 C ATOM 965 O LYS A 57 12.478 3.615 -10.591 1.00 0.00 O ATOM 966 CB LYS A 57 10.373 4.094 -12.588 1.00 0.00 C ATOM 967 CG LYS A 57 10.259 4.973 -11.347 1.00 0.00 C ATOM 968 CD LYS A 57 8.932 5.716 -11.287 1.00 0.00 C ATOM 969 CE LYS A 57 8.997 6.896 -10.325 1.00 0.00 C ATOM 970 NZ LYS A 57 8.411 8.129 -10.920 1.00 0.00 N ATOM 0 H LYS A 57 9.649 2.445 -10.814 1.00 0.00 H new ATOM 0 HA LYS A 57 11.222 2.247 -13.279 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.926 4.634 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.375 3.908 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.368 4.355 -10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.077 5.693 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.667 6.071 -12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.144 5.032 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.464 6.647 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.035 7.083 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.535 8.925 -10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.891 8.344 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.397 7.981 -11.097 1.00 0.00 H new ATOM 984 N GLN A 58 13.491 2.455 -12.215 1.00 0.00 N ATOM 985 CA GLN A 58 14.808 2.613 -11.603 1.00 0.00 C ATOM 986 C GLN A 58 15.604 3.749 -12.242 1.00 0.00 C ATOM 987 O GLN A 58 16.111 3.619 -13.356 1.00 0.00 O ATOM 988 CB GLN A 58 15.597 1.307 -11.716 1.00 0.00 C ATOM 989 CG GLN A 58 16.642 1.132 -10.625 1.00 0.00 C ATOM 990 CD GLN A 58 17.931 0.532 -11.146 1.00 0.00 C ATOM 991 OE1 GLN A 58 18.323 -0.567 -10.756 1.00 0.00 O ATOM 992 NE2 GLN A 58 18.603 1.256 -12.037 1.00 0.00 N ATOM 0 H GLN A 58 13.482 1.926 -13.087 1.00 0.00 H new ATOM 0 HA GLN A 58 14.652 2.864 -10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.902 0.468 -11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.089 1.272 -12.688 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.853 2.100 -10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.239 0.492 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.242 2.163 -12.334 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.479 0.904 -12.424 1.00 0.00 H new ATOM 1063 N HIS A 63 22.115 1.360 -7.096 1.00 0.00 N ATOM 1064 CA HIS A 63 21.744 -0.014 -6.769 1.00 0.00 C ATOM 1065 C HIS A 63 20.419 -0.095 -6.009 1.00 0.00 C ATOM 1066 O HIS A 63 20.166 -1.073 -5.310 1.00 0.00 O ATOM 1067 CB HIS A 63 22.851 -0.671 -5.939 1.00 0.00 C ATOM 1068 CG HIS A 63 23.785 -1.519 -6.747 1.00 0.00 C ATOM 1069 ND1 HIS A 63 25.089 -1.771 -6.371 1.00 0.00 N ATOM 1070 CD2 HIS A 63 23.601 -2.173 -7.918 1.00 0.00 C ATOM 1071 CE1 HIS A 63 25.664 -2.544 -7.277 1.00 0.00 C ATOM 1072 NE2 HIS A 63 24.781 -2.802 -8.223 1.00 0.00 N ATOM 0 HA HIS A 63 21.616 -0.545 -7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.425 0.106 -5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.395 -1.286 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.694 -2.195 -8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 63 26.682 -2.903 -7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 63 24.949 -3.377 -9.049 1.00 0.00 H new ATOM 1081 N GLU A 64 19.574 0.928 -6.137 1.00 0.00 N ATOM 1082 CA GLU A 64 18.303 0.952 -5.464 1.00 0.00 C ATOM 1083 C GLU A 64 17.218 1.198 -6.501 1.00 0.00 C ATOM 1084 O GLU A 64 17.502 1.703 -7.587 1.00 0.00 O ATOM 1085 CB GLU A 64 18.345 1.994 -4.358 1.00 0.00 C ATOM 1086 CG GLU A 64 19.582 1.824 -3.479 1.00 0.00 C ATOM 1087 CD GLU A 64 20.136 3.145 -2.980 1.00 0.00 C ATOM 1088 OE1 GLU A 64 20.373 4.041 -3.818 1.00 0.00 O ATOM 1089 OE2 GLU A 64 20.334 3.284 -1.757 1.00 0.00 O ATOM 0 H GLU A 64 19.762 1.751 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 64 18.077 0.002 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.343 2.992 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.447 1.913 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.331 1.195 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.354 1.302 -4.044 1.00 0.00 H new ATOM 1096 N ILE A 65 16.003 0.765 -6.215 1.00 0.00 N ATOM 1097 CA ILE A 65 14.932 0.873 -7.194 1.00 0.00 C ATOM 1098 C ILE A 65 13.828 1.821 -6.762 1.00 0.00 C ATOM 1099 O ILE A 65 13.440 1.866 -5.600 1.00 0.00 O ATOM 1100 CB ILE A 65 14.328 -0.527 -7.441 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.707 -0.619 -8.831 1.00 0.00 C ATOM 1102 CG2 ILE A 65 13.300 -0.871 -6.373 1.00 0.00 C ATOM 1103 CD1 ILE A 65 13.143 -1.990 -9.133 1.00 0.00 C ATOM 0 H ILE A 65 15.734 0.341 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 65 15.369 1.280 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 65 15.138 -1.254 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.913 0.123 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.461 -0.369 -9.578 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.889 -1.861 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.777 -0.863 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.496 -0.135 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.715 -1.995 -10.135 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.939 -2.732 -9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.368 -2.233 -8.406 1.00 0.00 H new ATOM 1115 N GLU A 66 13.334 2.578 -7.735 1.00 0.00 N ATOM 1116 CA GLU A 66 12.274 3.547 -7.516 1.00 0.00 C ATOM 1117 C GLU A 66 11.051 3.160 -8.324 1.00 0.00 C ATOM 1118 O GLU A 66 11.135 2.344 -9.238 1.00 0.00 O ATOM 1119 CB GLU A 66 12.764 4.946 -7.928 1.00 0.00 C ATOM 1120 CG GLU A 66 11.878 6.092 -7.457 1.00 0.00 C ATOM 1121 CD GLU A 66 12.272 6.614 -6.090 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.235 7.405 -6.011 1.00 0.00 O ATOM 1123 OE2 GLU A 66 11.616 6.235 -5.098 1.00 0.00 O ATOM 0 H GLU A 66 13.661 2.535 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 66 12.006 3.561 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.769 5.095 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.839 4.985 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.929 6.906 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.842 5.756 -7.428 1.00 0.00 H new ATOM 1130 N GLY A 67 9.917 3.731 -7.975 1.00 0.00 N ATOM 1131 CA GLY A 67 8.695 3.423 -8.677 1.00 0.00 C ATOM 1132 C GLY A 67 7.501 4.059 -8.018 1.00 0.00 C ATOM 1133 O GLY A 67 7.633 5.059 -7.308 1.00 0.00 O ATOM 0 H GLY A 67 9.819 4.405 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.770 3.770 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.558 2.342 -8.713 1.00 0.00 H new ATOM 1137 N TYR A 68 6.341 3.464 -8.218 1.00 0.00 N ATOM 1138 CA TYR A 68 5.136 3.979 -7.609 1.00 0.00 C ATOM 1139 C TYR A 68 4.498 2.899 -6.768 1.00 0.00 C ATOM 1140 O TYR A 68 4.384 1.746 -7.180 1.00 0.00 O ATOM 1141 CB TYR A 68 4.154 4.464 -8.677 1.00 0.00 C ATOM 1142 CG TYR A 68 4.611 5.709 -9.404 1.00 0.00 C ATOM 1143 CD1 TYR A 68 4.570 6.952 -8.783 1.00 0.00 C ATOM 1144 CD2 TYR A 68 5.082 5.642 -10.708 1.00 0.00 C ATOM 1145 CE1 TYR A 68 4.985 8.092 -9.445 1.00 0.00 C ATOM 1146 CE2 TYR A 68 5.500 6.775 -11.375 1.00 0.00 C ATOM 1147 CZ TYR A 68 5.450 7.999 -10.740 1.00 0.00 C ATOM 1148 OH TYR A 68 5.864 9.131 -11.401 1.00 0.00 O ATOM 0 H TYR A 68 6.210 2.631 -8.792 1.00 0.00 H new ATOM 0 HA TYR A 68 5.395 4.828 -6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.998 3.666 -9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.190 4.661 -8.208 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.208 7.028 -7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.122 4.686 -11.209 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.945 9.051 -8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.865 6.704 -12.389 1.00 0.00 H new ATOM 0 HH TYR A 68 6.163 8.892 -12.303 1.00 0.00 H new ATOM 1158 N THR A 69 4.116 3.285 -5.570 1.00 0.00 N ATOM 1159 CA THR A 69 3.518 2.366 -4.622 1.00 0.00 C ATOM 1160 C THR A 69 2.022 2.652 -4.438 1.00 0.00 C ATOM 1161 O THR A 69 1.602 3.805 -4.360 1.00 0.00 O ATOM 1162 CB THR A 69 4.288 2.480 -3.299 1.00 0.00 C ATOM 1163 OG1 THR A 69 4.953 3.726 -3.221 1.00 0.00 O ATOM 1164 CG2 THR A 69 5.340 1.416 -3.116 1.00 0.00 C ATOM 0 H THR A 69 4.210 4.240 -5.225 1.00 0.00 H new ATOM 0 HA THR A 69 3.588 1.345 -4.996 1.00 0.00 H new ATOM 0 HB THR A 69 3.532 2.366 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.401 4.418 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.842 1.561 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.870 0.433 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.070 1.484 -3.923 1.00 0.00 H new ATOM 1172 N LYS A 70 1.224 1.588 -4.378 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.229 1.699 -4.200 1.00 0.00 C ATOM 1174 C LYS A 70 -0.631 1.040 -2.886 1.00 0.00 C ATOM 1175 O LYS A 70 -0.053 0.023 -2.507 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.960 1.031 -5.366 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.167 1.813 -5.855 1.00 0.00 C ATOM 1178 CD LYS A 70 -2.802 1.158 -7.072 1.00 0.00 C ATOM 1179 CE LYS A 70 -2.378 1.845 -8.360 1.00 0.00 C ATOM 1180 NZ LYS A 70 -2.144 0.868 -9.459 1.00 0.00 N ATOM 0 H LYS A 70 1.560 0.628 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.506 2.753 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.263 0.900 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.282 0.036 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.903 1.886 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.866 2.830 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.519 0.106 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.888 1.193 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.147 2.555 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.468 2.418 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.857 1.376 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.392 0.206 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.020 0.339 -9.645 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.590 1.617 -2.163 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.967 1.022 -0.875 1.00 0.00 C ATOM 1196 C ILE A 71 -3.458 0.913 -0.629 1.00 0.00 C ATOM 1197 O ILE A 71 -4.241 1.805 -1.003 1.00 0.00 O ATOM 1198 CB ILE A 71 -1.289 1.737 0.304 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.128 1.181 0.459 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -2.080 1.591 1.591 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.211 2.211 0.285 1.00 0.00 C ATOM 0 H ILE A 71 -2.102 2.458 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.600 -0.002 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.247 2.806 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.225 0.730 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.277 0.385 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.563 2.112 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.073 2.021 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.173 0.535 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.186 1.739 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.143 2.645 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.090 2.996 1.032 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.815 -0.185 0.062 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.208 -0.445 0.436 1.00 0.00 C ATOM 1215 C TYR A 72 -5.377 -0.611 1.956 1.00 0.00 C ATOM 1216 O TYR A 72 -4.820 -1.533 2.592 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.794 -1.646 -0.321 1.00 0.00 C ATOM 1218 CG TYR A 72 -5.113 -2.982 -0.085 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.735 -3.126 -0.178 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -5.868 -4.111 0.204 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -3.131 -4.353 0.016 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -5.271 -5.342 0.395 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.902 -5.457 0.303 1.00 0.00 C ATOM 1224 OH TYR A 72 -3.303 -6.681 0.493 1.00 0.00 O ATOM 0 H TYR A 72 -3.157 -0.901 0.370 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.776 0.437 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.845 -1.744 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.761 -1.428 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.125 -2.264 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.942 -4.025 0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.058 -4.446 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.875 -6.210 0.615 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.768 -6.659 1.313 1.00 0.00 H new ATOM 1234 N ALA A 73 -6.141 0.317 2.532 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.411 0.337 3.965 1.00 0.00 C ATOM 1236 C ALA A 73 -7.659 -0.468 4.329 1.00 0.00 C ATOM 1237 O ALA A 73 -7.912 -0.732 5.505 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.560 1.773 4.446 1.00 0.00 C ATOM 0 H ALA A 73 -6.589 1.075 2.016 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.563 -0.132 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.761 1.779 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.639 2.321 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.387 2.249 3.919 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.450 -0.837 3.323 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.680 -1.591 3.557 1.00 0.00 C ATOM 1246 C ASP A 74 -9.397 -3.057 3.875 1.00 0.00 C ATOM 1247 O ASP A 74 -10.296 -3.793 4.285 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.597 -1.492 2.335 1.00 0.00 C ATOM 1249 CG ASP A 74 -11.926 -2.185 2.552 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -12.794 -1.606 3.239 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -12.101 -3.308 2.034 1.00 0.00 O ATOM 0 H ASP A 74 -8.262 -0.627 2.343 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.175 -1.152 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.772 -0.442 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.097 -1.933 1.473 1.00 0.00 H new