USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 56 HIS : no HD1:sc= -2.61! C(o=-4.9!,f=-6.2!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -127:sc= -2.28! (180deg=-5.9!) USER MOD Set 2.1: A 26 SER OG : rot -91:sc= 1.23 USER MOD Set 2.2: A 32 MET CE :methyl 144:sc= 0 (180deg=-1.5!) USER MOD Set 3.1: A 13 THR OG1 : rot -44:sc= -0.655 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.108 K(o=-2.5,f=-1.6) USER MOD Set 3.3: A 60 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0709) USER MOD Single : A 25 ASN : amide:sc= 0.862 K(o=0.86,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0311 (180deg=-0.287) USER MOD Single : A 29 SER OG : rot -110:sc= -1.26 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc=-0.00166 (180deg=-0.145) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -52:sc= 1.24 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0564 (180deg=-0.328) USER MOD Single : A 74 ASN : amide:sc= 0.00312 X(o=0.0031,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.953 -6.110 -6.411 1.00 0.00 N ATOM 130 CA THR A 13 -17.640 -6.723 -7.695 1.00 0.00 C ATOM 131 C THR A 13 -16.734 -7.937 -7.519 1.00 0.00 C ATOM 132 O THR A 13 -16.225 -8.191 -6.427 1.00 0.00 O ATOM 133 CB THR A 13 -16.957 -5.721 -8.645 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.845 -5.103 -7.988 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.939 -4.653 -9.102 1.00 0.00 C ATOM 0 HA THR A 13 -18.587 -7.040 -8.132 1.00 0.00 H new ATOM 0 HB THR A 13 -16.604 -6.267 -9.520 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.105 -4.844 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.434 -3.957 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.770 -5.124 -9.627 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.318 -4.112 -8.235 1.00 0.00 H new ATOM 143 N LYS A 14 -16.535 -8.683 -8.600 1.00 0.00 N ATOM 144 CA LYS A 14 -15.689 -9.870 -8.566 1.00 0.00 C ATOM 145 C LYS A 14 -14.240 -9.496 -8.266 1.00 0.00 C ATOM 146 O LYS A 14 -13.613 -10.073 -7.379 1.00 0.00 O ATOM 147 CB LYS A 14 -15.768 -10.617 -9.899 1.00 0.00 C ATOM 148 CG LYS A 14 -16.959 -11.555 -10.000 1.00 0.00 C ATOM 149 CD LYS A 14 -16.738 -12.623 -11.058 1.00 0.00 C ATOM 150 CE LYS A 14 -18.029 -13.359 -11.384 1.00 0.00 C ATOM 151 NZ LYS A 14 -18.952 -12.523 -12.201 1.00 0.00 N ATOM 0 H LYS A 14 -16.949 -8.486 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.051 -10.521 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.818 -9.891 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.852 -11.190 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.133 -12.029 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.855 -10.983 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.341 -12.164 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.990 -13.335 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.797 -14.278 -11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.525 -13.649 -10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.739 -13.109 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.327 -11.748 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.436 -12.127 -13.012 1.00 0.00 H new ATOM 165 N GLU A 15 -13.717 -8.527 -9.011 1.00 0.00 N ATOM 166 CA GLU A 15 -12.343 -8.077 -8.823 1.00 0.00 C ATOM 167 C GLU A 15 -12.032 -7.884 -7.342 1.00 0.00 C ATOM 168 O GLU A 15 -11.075 -8.455 -6.819 1.00 0.00 O ATOM 169 CB GLU A 15 -12.103 -6.770 -9.581 1.00 0.00 C ATOM 170 CG GLU A 15 -11.681 -6.973 -11.026 1.00 0.00 C ATOM 171 CD GLU A 15 -12.609 -7.906 -11.780 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.837 -7.816 -11.570 1.00 0.00 O ATOM 173 OE2 GLU A 15 -12.109 -8.725 -12.578 1.00 0.00 O ATOM 0 H GLU A 15 -14.224 -8.039 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.678 -8.845 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.015 -6.174 -9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.334 -6.196 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.653 -6.008 -11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.668 -7.375 -11.052 1.00 0.00 H new ATOM 180 N GLN A 16 -12.846 -7.074 -6.673 1.00 0.00 N ATOM 181 CA GLN A 16 -12.657 -6.804 -5.252 1.00 0.00 C ATOM 182 C GLN A 16 -12.548 -8.103 -4.461 1.00 0.00 C ATOM 183 O GLN A 16 -11.512 -8.392 -3.863 1.00 0.00 O ATOM 184 CB GLN A 16 -13.813 -5.960 -4.713 1.00 0.00 C ATOM 185 CG GLN A 16 -14.011 -4.651 -5.461 1.00 0.00 C ATOM 186 CD GLN A 16 -15.196 -3.859 -4.947 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.345 -4.281 -5.081 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.924 -2.702 -4.354 1.00 0.00 N ATOM 0 H GLN A 16 -13.642 -6.593 -7.092 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.726 -6.249 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.733 -6.542 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.634 -5.744 -3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.109 -4.046 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.151 -4.861 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.957 -2.390 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.682 -2.126 -3.989 1.00 0.00 H new ATOM 197 N ALA A 17 -13.625 -8.882 -4.462 1.00 0.00 N ATOM 198 CA ALA A 17 -13.650 -10.151 -3.745 1.00 0.00 C ATOM 199 C ALA A 17 -12.398 -10.972 -4.038 1.00 0.00 C ATOM 200 O ALA A 17 -11.756 -11.491 -3.125 1.00 0.00 O ATOM 201 CB ALA A 17 -14.898 -10.940 -4.111 1.00 0.00 C ATOM 0 H ALA A 17 -14.491 -8.657 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.670 -9.936 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.903 -11.885 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.784 -10.364 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.902 -11.137 -5.183 1.00 0.00 H new ATOM 207 N ASP A 18 -12.058 -11.086 -5.317 1.00 0.00 N ATOM 208 CA ASP A 18 -10.882 -11.844 -5.731 1.00 0.00 C ATOM 209 C ASP A 18 -9.615 -11.259 -5.115 1.00 0.00 C ATOM 210 O ASP A 18 -8.629 -11.968 -4.910 1.00 0.00 O ATOM 211 CB ASP A 18 -10.766 -11.853 -7.256 1.00 0.00 C ATOM 212 CG ASP A 18 -11.677 -12.880 -7.900 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.745 -14.016 -7.387 1.00 0.00 O ATOM 214 OD2 ASP A 18 -12.321 -12.547 -8.917 1.00 0.00 O ATOM 0 H ASP A 18 -12.579 -10.664 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.997 -12.869 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.009 -10.863 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.734 -12.060 -7.538 1.00 0.00 H new ATOM 219 N ALA A 19 -9.648 -9.963 -4.824 1.00 0.00 N ATOM 220 CA ALA A 19 -8.502 -9.284 -4.231 1.00 0.00 C ATOM 221 C ALA A 19 -8.332 -9.672 -2.766 1.00 0.00 C ATOM 222 O ALA A 19 -7.223 -9.966 -2.317 1.00 0.00 O ATOM 223 CB ALA A 19 -8.655 -7.776 -4.366 1.00 0.00 C ATOM 0 H ALA A 19 -10.455 -9.362 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.607 -9.597 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.793 -7.281 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.720 -7.510 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.563 -7.455 -3.855 1.00 0.00 H new ATOM 229 N ILE A 20 -9.435 -9.671 -2.027 1.00 0.00 N ATOM 230 CA ILE A 20 -9.407 -10.023 -0.612 1.00 0.00 C ATOM 231 C ILE A 20 -8.921 -11.455 -0.412 1.00 0.00 C ATOM 232 O ILE A 20 -8.015 -11.709 0.381 1.00 0.00 O ATOM 233 CB ILE A 20 -10.796 -9.869 0.034 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.176 -8.390 0.132 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.815 -10.519 1.410 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.977 -7.892 -1.050 1.00 0.00 C ATOM 0 H ILE A 20 -10.360 -9.430 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.713 -9.335 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.531 -10.372 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.752 -8.231 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.267 -7.795 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.804 -10.402 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.583 -11.580 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.072 -10.041 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.211 -6.836 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.395 -8.019 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.903 -8.461 -1.128 1.00 0.00 H new ATOM 248 N ARG A 21 -9.530 -12.387 -1.139 1.00 0.00 N ATOM 249 CA ARG A 21 -9.159 -13.794 -1.042 1.00 0.00 C ATOM 250 C ARG A 21 -7.659 -13.977 -1.252 1.00 0.00 C ATOM 251 O ARG A 21 -7.033 -14.828 -0.620 1.00 0.00 O ATOM 252 CB ARG A 21 -9.934 -14.619 -2.070 1.00 0.00 C ATOM 253 CG ARG A 21 -9.226 -14.742 -3.410 1.00 0.00 C ATOM 254 CD ARG A 21 -10.183 -15.180 -4.508 1.00 0.00 C ATOM 255 NE ARG A 21 -10.506 -16.601 -4.418 1.00 0.00 N ATOM 256 CZ ARG A 21 -9.659 -17.570 -4.749 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.445 -17.271 -5.189 1.00 0.00 N ATOM 258 NH2 ARG A 21 -10.027 -18.840 -4.639 1.00 0.00 N ATOM 0 H ARG A 21 -10.282 -12.193 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.413 -14.143 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.107 -15.617 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.912 -14.164 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.779 -13.784 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.411 -15.461 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.100 -14.595 -4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.739 -14.970 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.433 -16.864 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.159 -16.296 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.796 -18.016 -5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.960 -19.073 -4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.376 -19.583 -4.893 1.00 0.00 H new ATOM 272 N ARG A 22 -7.089 -13.172 -2.144 1.00 0.00 N ATOM 273 CA ARG A 22 -5.663 -13.247 -2.439 1.00 0.00 C ATOM 274 C ARG A 22 -4.837 -12.742 -1.259 1.00 0.00 C ATOM 275 O ARG A 22 -3.815 -13.332 -0.907 1.00 0.00 O ATOM 276 CB ARG A 22 -5.337 -12.430 -3.690 1.00 0.00 C ATOM 277 CG ARG A 22 -5.544 -13.194 -4.987 1.00 0.00 C ATOM 278 CD ARG A 22 -4.476 -14.259 -5.184 1.00 0.00 C ATOM 279 NE ARG A 22 -4.934 -15.339 -6.053 1.00 0.00 N ATOM 280 CZ ARG A 22 -4.163 -16.350 -6.437 1.00 0.00 C ATOM 281 NH1 ARG A 22 -2.903 -16.419 -6.031 1.00 0.00 N ATOM 282 NH2 ARG A 22 -4.652 -17.296 -7.229 1.00 0.00 N ATOM 0 H ARG A 22 -7.593 -12.461 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.408 -14.291 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.960 -11.535 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.301 -12.096 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.529 -13.661 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.525 -12.499 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.584 -13.803 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.190 -14.669 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.899 -15.316 -6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.523 -15.694 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.313 -17.197 -6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.621 -17.247 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.059 -18.072 -7.523 1.00 0.00 H new ATOM 296 N ILE A 23 -5.287 -11.649 -0.653 1.00 0.00 N ATOM 297 CA ILE A 23 -4.589 -11.066 0.487 1.00 0.00 C ATOM 298 C ILE A 23 -4.494 -12.060 1.639 1.00 0.00 C ATOM 299 O ILE A 23 -3.500 -12.091 2.365 1.00 0.00 O ATOM 300 CB ILE A 23 -5.291 -9.788 0.982 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.134 -8.664 -0.044 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.728 -9.364 2.331 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.823 -7.378 0.359 1.00 0.00 C ATOM 0 H ILE A 23 -6.131 -11.149 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.585 -10.811 0.147 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.354 -9.998 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.073 -8.466 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.536 -8.998 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.234 -8.459 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.886 -10.161 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.660 -9.168 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.670 -6.625 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.891 -7.560 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.405 -7.021 1.300 1.00 0.00 H new ATOM 315 N ARG A 24 -5.534 -12.872 1.801 1.00 0.00 N ATOM 316 CA ARG A 24 -5.567 -13.868 2.865 1.00 0.00 C ATOM 317 C ARG A 24 -4.820 -15.132 2.450 1.00 0.00 C ATOM 318 O ARG A 24 -4.222 -15.812 3.283 1.00 0.00 O ATOM 319 CB ARG A 24 -7.014 -14.213 3.224 1.00 0.00 C ATOM 320 CG ARG A 24 -7.996 -13.087 2.945 1.00 0.00 C ATOM 321 CD ARG A 24 -9.152 -13.098 3.933 1.00 0.00 C ATOM 322 NE ARG A 24 -8.697 -12.921 5.310 1.00 0.00 N ATOM 323 CZ ARG A 24 -8.187 -11.786 5.775 1.00 0.00 C ATOM 324 NH1 ARG A 24 -8.068 -10.733 4.978 1.00 0.00 N ATOM 325 NH2 ARG A 24 -7.796 -11.702 7.040 1.00 0.00 N ATOM 0 H ARG A 24 -6.365 -12.859 1.209 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.073 -13.445 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.318 -15.096 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.065 -14.474 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.478 -12.129 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.382 -13.183 1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.854 -12.304 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.692 -14.041 3.848 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.775 -13.712 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.368 -10.793 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.676 -9.863 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.887 -12.509 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.405 -10.830 7.396 1.00 0.00 H new ATOM 339 N ASN A 25 -4.859 -15.440 1.158 1.00 0.00 N ATOM 340 CA ASN A 25 -4.186 -16.622 0.633 1.00 0.00 C ATOM 341 C ASN A 25 -2.805 -16.267 0.091 1.00 0.00 C ATOM 342 O ASN A 25 -2.184 -17.057 -0.620 1.00 0.00 O ATOM 343 CB ASN A 25 -5.029 -17.267 -0.469 1.00 0.00 C ATOM 344 CG ASN A 25 -6.259 -17.966 0.077 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.341 -19.195 0.072 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.221 -17.185 0.552 1.00 0.00 N ATOM 0 H ASN A 25 -5.350 -14.887 0.455 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.063 -17.333 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.336 -16.502 -1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.419 -17.986 -1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.072 -17.598 0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.110 -16.171 0.536 1.00 0.00 H new ATOM 353 N SER A 26 -2.331 -15.072 0.432 1.00 0.00 N ATOM 354 CA SER A 26 -1.025 -14.610 -0.023 1.00 0.00 C ATOM 355 C SER A 26 0.094 -15.269 0.778 1.00 0.00 C ATOM 356 O SER A 26 -0.130 -15.781 1.875 1.00 0.00 O ATOM 357 CB SER A 26 -0.928 -13.089 0.100 1.00 0.00 C ATOM 358 OG SER A 26 -0.989 -12.681 1.455 1.00 0.00 O ATOM 0 H SER A 26 -2.832 -14.407 1.021 1.00 0.00 H new ATOM 0 HA SER A 26 -0.912 -14.891 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.005 -12.744 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.739 -12.624 -0.460 1.00 0.00 H new ATOM 0 HG SER A 26 -1.921 -12.504 1.702 1.00 0.00 H new ATOM 364 N LYS A 27 1.300 -15.253 0.221 1.00 0.00 N ATOM 365 CA LYS A 27 2.456 -15.847 0.882 1.00 0.00 C ATOM 366 C LYS A 27 3.471 -14.776 1.269 1.00 0.00 C ATOM 367 O LYS A 27 4.428 -15.047 1.995 1.00 0.00 O ATOM 368 CB LYS A 27 3.115 -16.883 -0.031 1.00 0.00 C ATOM 369 CG LYS A 27 2.132 -17.619 -0.925 1.00 0.00 C ATOM 370 CD LYS A 27 1.391 -18.705 -0.163 1.00 0.00 C ATOM 371 CE LYS A 27 2.284 -19.906 0.104 1.00 0.00 C ATOM 372 NZ LYS A 27 2.633 -20.629 -1.150 1.00 0.00 N ATOM 0 H LYS A 27 1.502 -14.835 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 27 2.110 -16.340 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.858 -16.385 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.649 -17.609 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.415 -16.910 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.665 -18.062 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.027 -18.304 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.517 -19.020 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.197 -19.576 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.779 -20.588 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.988 -21.578 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.787 -20.713 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.369 -20.101 -1.662 1.00 0.00 H new ATOM 386 N ASP A 28 3.256 -13.559 0.781 1.00 0.00 N ATOM 387 CA ASP A 28 4.151 -12.447 1.077 1.00 0.00 C ATOM 388 C ASP A 28 3.536 -11.122 0.638 1.00 0.00 C ATOM 389 O ASP A 28 2.729 -11.079 -0.290 1.00 0.00 O ATOM 390 CB ASP A 28 5.500 -12.651 0.386 1.00 0.00 C ATOM 391 CG ASP A 28 6.471 -13.447 1.235 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.802 -12.987 2.348 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.900 -14.531 0.787 1.00 0.00 O ATOM 0 H ASP A 28 2.469 -13.318 0.178 1.00 0.00 H new ATOM 0 HA ASP A 28 4.306 -12.416 2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.345 -13.165 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.937 -11.680 0.154 1.00 0.00 H new ATOM 398 N SER A 29 3.922 -10.044 1.312 1.00 0.00 N ATOM 399 CA SER A 29 3.404 -8.718 0.995 1.00 0.00 C ATOM 400 C SER A 29 3.391 -8.486 -0.513 1.00 0.00 C ATOM 401 O SER A 29 2.409 -7.995 -1.069 1.00 0.00 O ATOM 402 CB SER A 29 4.247 -7.640 1.680 1.00 0.00 C ATOM 403 OG SER A 29 5.629 -7.848 1.445 1.00 0.00 O ATOM 0 H SER A 29 4.592 -10.062 2.081 1.00 0.00 H new ATOM 0 HA SER A 29 2.380 -8.658 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.956 -6.657 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.052 -7.648 2.752 1.00 0.00 H new ATOM 0 HG SER A 29 6.064 -8.129 2.277 1.00 0.00 H new ATOM 409 N TRP A 30 4.490 -8.844 -1.169 1.00 0.00 N ATOM 410 CA TRP A 30 4.606 -8.675 -2.613 1.00 0.00 C ATOM 411 C TRP A 30 3.336 -9.138 -3.319 1.00 0.00 C ATOM 412 O TRP A 30 2.824 -8.455 -4.206 1.00 0.00 O ATOM 413 CB TRP A 30 5.811 -9.454 -3.143 1.00 0.00 C ATOM 414 CG TRP A 30 7.068 -9.203 -2.366 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.883 -10.141 -1.800 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.652 -7.930 -2.069 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.939 -9.528 -1.169 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.820 -8.172 -1.321 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.303 -6.609 -2.365 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.638 -7.141 -0.864 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.115 -5.588 -1.911 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.272 -5.858 -1.167 1.00 0.00 C ATOM 0 H TRP A 30 5.312 -9.252 -0.724 1.00 0.00 H new ATOM 0 HA TRP A 30 4.748 -7.614 -2.819 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.584 -10.520 -3.120 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.978 -9.186 -4.186 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.722 -11.208 -1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.689 -10.005 -0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.414 -6.391 -2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.530 -7.347 -0.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.854 -4.564 -2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.886 -5.038 -0.826 1.00 0.00 H new ATOM 433 N ASP A 31 2.833 -10.301 -2.921 1.00 0.00 N ATOM 434 CA ASP A 31 1.622 -10.854 -3.515 1.00 0.00 C ATOM 435 C ASP A 31 0.423 -9.951 -3.245 1.00 0.00 C ATOM 436 O ASP A 31 -0.364 -9.661 -4.146 1.00 0.00 O ATOM 437 CB ASP A 31 1.353 -12.256 -2.967 1.00 0.00 C ATOM 438 CG ASP A 31 0.348 -13.023 -3.803 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.702 -12.441 -4.148 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.610 -14.204 -4.112 1.00 0.00 O ATOM 0 H ASP A 31 3.245 -10.879 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 31 1.772 -10.916 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.289 -12.813 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.986 -12.178 -1.944 1.00 0.00 H new ATOM 445 N MET A 32 0.289 -9.510 -1.998 1.00 0.00 N ATOM 446 CA MET A 32 -0.814 -8.639 -1.610 1.00 0.00 C ATOM 447 C MET A 32 -0.833 -7.373 -2.461 1.00 0.00 C ATOM 448 O MET A 32 -1.784 -7.127 -3.204 1.00 0.00 O ATOM 449 CB MET A 32 -0.705 -8.271 -0.129 1.00 0.00 C ATOM 450 CG MET A 32 -1.374 -9.272 0.798 1.00 0.00 C ATOM 451 SD MET A 32 -1.053 -8.931 2.539 1.00 0.00 S ATOM 452 CE MET A 32 0.297 -10.062 2.862 1.00 0.00 C ATOM 0 H MET A 32 0.930 -9.742 -1.240 1.00 0.00 H new ATOM 0 HA MET A 32 -1.746 -9.180 -1.775 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.348 -8.188 0.139 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.152 -7.289 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.450 -9.261 0.622 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.022 -10.275 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.998 -9.603 3.559 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.095 -10.982 3.295 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.811 -10.290 1.929 1.00 0.00 H new ATOM 462 N LEU A 33 0.222 -6.574 -2.348 1.00 0.00 N ATOM 463 CA LEU A 33 0.326 -5.332 -3.107 1.00 0.00 C ATOM 464 C LEU A 33 0.386 -5.614 -4.605 1.00 0.00 C ATOM 465 O LEU A 33 -0.121 -4.837 -5.413 1.00 0.00 O ATOM 466 CB LEU A 33 1.566 -4.549 -2.673 1.00 0.00 C ATOM 467 CG LEU A 33 1.714 -4.304 -1.171 1.00 0.00 C ATOM 468 CD1 LEU A 33 3.046 -3.635 -0.868 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.560 -3.457 -0.653 1.00 0.00 C ATOM 0 H LEU A 33 1.018 -6.764 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.563 -4.734 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.449 -5.084 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.557 -3.584 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 33 1.690 -5.267 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.134 -3.468 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.860 -4.277 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.100 -2.679 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.681 -3.292 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.553 -2.497 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.382 -3.974 -0.836 1.00 0.00 H new ATOM 481 N GLY A 34 1.007 -6.732 -4.967 1.00 0.00 N ATOM 482 CA GLY A 34 1.120 -7.097 -6.367 1.00 0.00 C ATOM 483 C GLY A 34 2.336 -6.480 -7.031 1.00 0.00 C ATOM 484 O GLY A 34 2.255 -5.989 -8.157 1.00 0.00 O ATOM 0 H GLY A 34 1.434 -7.391 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.174 -8.182 -6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.221 -6.780 -6.896 1.00 0.00 H new ATOM 488 N VAL A 35 3.466 -6.504 -6.332 1.00 0.00 N ATOM 489 CA VAL A 35 4.704 -5.943 -6.860 1.00 0.00 C ATOM 490 C VAL A 35 5.881 -6.879 -6.613 1.00 0.00 C ATOM 491 O VAL A 35 5.741 -7.912 -5.958 1.00 0.00 O ATOM 492 CB VAL A 35 5.012 -4.572 -6.230 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.908 -3.576 -6.551 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.198 -4.707 -4.726 1.00 0.00 C ATOM 0 H VAL A 35 3.550 -6.906 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 35 4.562 -5.818 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 35 5.942 -4.197 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.143 -2.613 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.827 -3.458 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.961 -3.942 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.415 -3.729 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.286 -5.104 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.027 -5.385 -4.521 1.00 0.00 H new ATOM 504 N LYS A 36 7.043 -6.512 -7.142 1.00 0.00 N ATOM 505 CA LYS A 36 8.248 -7.317 -6.979 1.00 0.00 C ATOM 506 C LYS A 36 9.032 -6.878 -5.747 1.00 0.00 C ATOM 507 O LYS A 36 8.962 -5.728 -5.314 1.00 0.00 O ATOM 508 CB LYS A 36 9.131 -7.209 -8.224 1.00 0.00 C ATOM 509 CG LYS A 36 9.867 -5.886 -8.335 1.00 0.00 C ATOM 510 CD LYS A 36 9.116 -4.901 -9.215 1.00 0.00 C ATOM 511 CE LYS A 36 9.560 -5.000 -10.667 1.00 0.00 C ATOM 512 NZ LYS A 36 10.924 -4.436 -10.869 1.00 0.00 N ATOM 0 H LYS A 36 7.176 -5.661 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 36 7.946 -8.356 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.859 -8.020 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.512 -7.346 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.001 -5.459 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.862 -6.056 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.045 -5.094 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.281 -3.887 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.549 -6.044 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.850 -4.469 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.078 -4.255 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.013 -3.545 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.634 -5.114 -10.526 1.00 0.00 H new ATOM 526 N PRO A 37 9.799 -7.815 -5.168 1.00 0.00 N ATOM 527 CA PRO A 37 10.614 -7.547 -3.979 1.00 0.00 C ATOM 528 C PRO A 37 11.792 -6.627 -4.279 1.00 0.00 C ATOM 529 O PRO A 37 12.616 -6.354 -3.407 1.00 0.00 O ATOM 530 CB PRO A 37 11.110 -8.936 -3.570 1.00 0.00 C ATOM 531 CG PRO A 37 11.088 -9.732 -4.828 1.00 0.00 C ATOM 532 CD PRO A 37 9.931 -9.206 -5.631 1.00 0.00 C ATOM 0 HA PRO A 37 10.046 -7.036 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.114 -8.889 -3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.466 -9.379 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.024 -9.623 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.965 -10.794 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.129 -9.256 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.022 -9.778 -5.448 1.00 0.00 H new ATOM 540 N GLY A 38 11.866 -6.151 -5.518 1.00 0.00 N ATOM 541 CA GLY A 38 12.947 -5.266 -5.910 1.00 0.00 C ATOM 542 C GLY A 38 12.447 -3.926 -6.412 1.00 0.00 C ATOM 543 O GLY A 38 13.121 -3.258 -7.196 1.00 0.00 O ATOM 0 H GLY A 38 11.196 -6.363 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.609 -5.107 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.539 -5.745 -6.690 1.00 0.00 H new ATOM 547 N ALA A 39 11.260 -3.533 -5.962 1.00 0.00 N ATOM 548 CA ALA A 39 10.670 -2.264 -6.370 1.00 0.00 C ATOM 549 C ALA A 39 11.076 -1.140 -5.424 1.00 0.00 C ATOM 550 O ALA A 39 11.672 -1.383 -4.375 1.00 0.00 O ATOM 551 CB ALA A 39 9.154 -2.382 -6.432 1.00 0.00 C ATOM 0 H ALA A 39 10.688 -4.075 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 39 11.046 -2.021 -7.364 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.727 -1.427 -6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.878 -3.151 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.770 -2.653 -5.449 1.00 0.00 H new ATOM 557 N SER A 40 10.750 0.093 -5.801 1.00 0.00 N ATOM 558 CA SER A 40 11.086 1.255 -4.988 1.00 0.00 C ATOM 559 C SER A 40 9.834 1.853 -4.352 1.00 0.00 C ATOM 560 O SER A 40 8.714 1.577 -4.782 1.00 0.00 O ATOM 561 CB SER A 40 11.794 2.312 -5.838 1.00 0.00 C ATOM 562 OG SER A 40 13.102 1.892 -6.187 1.00 0.00 O ATOM 0 H SER A 40 10.253 0.312 -6.665 1.00 0.00 H new ATOM 0 HA SER A 40 11.757 0.929 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.216 2.503 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.845 3.252 -5.288 1.00 0.00 H new ATOM 0 HG SER A 40 13.533 2.583 -6.731 1.00 0.00 H new ATOM 568 N ARG A 41 10.034 2.674 -3.326 1.00 0.00 N ATOM 569 CA ARG A 41 8.922 3.310 -2.630 1.00 0.00 C ATOM 570 C ARG A 41 7.828 3.719 -3.612 1.00 0.00 C ATOM 571 O ARG A 41 6.654 3.406 -3.413 1.00 0.00 O ATOM 572 CB ARG A 41 9.412 4.536 -1.856 1.00 0.00 C ATOM 573 CG ARG A 41 8.287 5.403 -1.314 1.00 0.00 C ATOM 574 CD ARG A 41 8.813 6.465 -0.362 1.00 0.00 C ATOM 575 NE ARG A 41 9.381 7.607 -1.074 1.00 0.00 N ATOM 576 CZ ARG A 41 9.629 8.780 -0.503 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.361 8.966 0.782 1.00 0.00 N ATOM 578 NH2 ARG A 41 10.147 9.771 -1.218 1.00 0.00 N ATOM 0 H ARG A 41 10.955 2.914 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 41 8.505 2.588 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.037 4.206 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.042 5.140 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.764 5.882 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.560 4.777 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.003 6.806 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.573 6.027 0.285 1.00 0.00 H new ATOM 0 HE ARG A 41 9.599 7.497 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.963 8.207 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.553 9.868 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.355 9.632 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.337 10.672 -0.779 1.00 0.00 H new ATOM 592 N ASP A 42 8.221 4.419 -4.670 1.00 0.00 N ATOM 593 CA ASP A 42 7.274 4.870 -5.683 1.00 0.00 C ATOM 594 C ASP A 42 6.413 3.711 -6.176 1.00 0.00 C ATOM 595 O ASP A 42 5.195 3.840 -6.298 1.00 0.00 O ATOM 596 CB ASP A 42 8.017 5.505 -6.859 1.00 0.00 C ATOM 597 CG ASP A 42 9.090 6.478 -6.409 1.00 0.00 C ATOM 598 OD1 ASP A 42 8.787 7.344 -5.563 1.00 0.00 O ATOM 599 OD2 ASP A 42 10.232 6.373 -6.904 1.00 0.00 O ATOM 0 H ASP A 42 9.189 4.687 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 42 6.622 5.616 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.472 4.721 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.303 6.026 -7.497 1.00 0.00 H new ATOM 604 N GLU A 43 7.054 2.581 -6.458 1.00 0.00 N ATOM 605 CA GLU A 43 6.346 1.401 -6.939 1.00 0.00 C ATOM 606 C GLU A 43 5.359 0.893 -5.891 1.00 0.00 C ATOM 607 O GLU A 43 4.154 0.830 -6.135 1.00 0.00 O ATOM 608 CB GLU A 43 7.339 0.294 -7.299 1.00 0.00 C ATOM 609 CG GLU A 43 7.772 0.315 -8.756 1.00 0.00 C ATOM 610 CD GLU A 43 6.605 0.171 -9.713 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.966 -0.901 -9.714 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.331 1.133 -10.462 1.00 0.00 O ATOM 0 H GLU A 43 8.062 2.458 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 43 5.788 1.683 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.221 0.388 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.888 -0.673 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.294 1.250 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.483 -0.492 -8.932 1.00 0.00 H new ATOM 619 N VAL A 44 5.880 0.532 -4.723 1.00 0.00 N ATOM 620 CA VAL A 44 5.047 0.030 -3.637 1.00 0.00 C ATOM 621 C VAL A 44 3.797 0.885 -3.463 1.00 0.00 C ATOM 622 O VAL A 44 2.693 0.364 -3.306 1.00 0.00 O ATOM 623 CB VAL A 44 5.821 -0.004 -2.305 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.890 -0.356 -1.155 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.978 -0.988 -2.387 1.00 0.00 C ATOM 0 H VAL A 44 6.875 0.578 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 44 4.755 -0.985 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 44 6.231 0.988 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.454 -0.375 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.099 0.391 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.448 -1.337 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.514 -0.999 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.593 -1.986 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.657 -0.685 -3.184 1.00 0.00 H new ATOM 635 N ASN A 45 3.978 2.202 -3.493 1.00 0.00 N ATOM 636 CA ASN A 45 2.864 3.130 -3.339 1.00 0.00 C ATOM 637 C ASN A 45 1.907 3.033 -4.524 1.00 0.00 C ATOM 638 O ASN A 45 0.689 2.999 -4.352 1.00 0.00 O ATOM 639 CB ASN A 45 3.382 4.563 -3.203 1.00 0.00 C ATOM 640 CG ASN A 45 3.886 4.866 -1.805 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.157 4.717 -0.825 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.139 5.293 -1.708 1.00 0.00 N ATOM 0 H ASN A 45 4.885 2.650 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 45 2.321 2.860 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.187 4.725 -3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.584 5.260 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.534 5.512 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.707 5.402 -2.548 1.00 0.00 H new ATOM 649 N LYS A 46 2.468 2.989 -5.728 1.00 0.00 N ATOM 650 CA LYS A 46 1.667 2.894 -6.942 1.00 0.00 C ATOM 651 C LYS A 46 0.779 1.654 -6.913 1.00 0.00 C ATOM 652 O LYS A 46 -0.414 1.727 -7.203 1.00 0.00 O ATOM 653 CB LYS A 46 2.574 2.856 -8.174 1.00 0.00 C ATOM 654 CG LYS A 46 1.814 2.792 -9.488 1.00 0.00 C ATOM 655 CD LYS A 46 1.506 4.181 -10.022 1.00 0.00 C ATOM 656 CE LYS A 46 2.707 4.783 -10.734 1.00 0.00 C ATOM 657 NZ LYS A 46 2.598 6.264 -10.850 1.00 0.00 N ATOM 0 H LYS A 46 3.475 3.018 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 46 1.028 3.775 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.209 3.742 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.233 1.991 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.401 2.241 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.884 2.242 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.662 4.129 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.206 4.830 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.617 4.527 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.796 4.346 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.436 6.636 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.743 6.508 -11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.539 6.683 -9.900 1.00 0.00 H new ATOM 671 N ALA A 47 1.370 0.517 -6.560 1.00 0.00 N ATOM 672 CA ALA A 47 0.632 -0.738 -6.490 1.00 0.00 C ATOM 673 C ALA A 47 -0.308 -0.755 -5.289 1.00 0.00 C ATOM 674 O ALA A 47 -1.451 -1.202 -5.390 1.00 0.00 O ATOM 675 CB ALA A 47 1.595 -1.914 -6.426 1.00 0.00 C ATOM 0 H ALA A 47 2.358 0.439 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 47 0.028 -0.827 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.030 -2.845 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.222 -1.920 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.224 -1.822 -5.541 1.00 0.00 H new ATOM 681 N TYR A 48 0.181 -0.268 -4.155 1.00 0.00 N ATOM 682 CA TYR A 48 -0.615 -0.230 -2.933 1.00 0.00 C ATOM 683 C TYR A 48 -1.849 0.649 -3.114 1.00 0.00 C ATOM 684 O TYR A 48 -2.894 0.402 -2.512 1.00 0.00 O ATOM 685 CB TYR A 48 0.228 0.288 -1.766 1.00 0.00 C ATOM 686 CG TYR A 48 -0.585 0.961 -0.684 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.059 2.257 -0.849 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.881 0.301 0.502 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.802 2.876 0.138 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.624 0.913 1.494 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.082 2.200 1.307 1.00 0.00 C ATOM 692 OH TYR A 48 -2.823 2.813 2.291 1.00 0.00 O ATOM 0 H TYR A 48 1.125 0.106 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.944 -1.245 -2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.780 -0.545 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.966 0.994 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.843 2.789 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.525 -0.707 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.162 3.884 -0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.845 0.386 2.411 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.931 2.201 3.048 1.00 0.00 H new ATOM 702 N ARG A 49 -1.719 1.676 -3.947 1.00 0.00 N ATOM 703 CA ARG A 49 -2.822 2.593 -4.207 1.00 0.00 C ATOM 704 C ARG A 49 -3.939 1.895 -4.977 1.00 0.00 C ATOM 705 O ARG A 49 -5.054 1.746 -4.476 1.00 0.00 O ATOM 706 CB ARG A 49 -2.328 3.808 -4.994 1.00 0.00 C ATOM 707 CG ARG A 49 -1.656 4.862 -4.129 1.00 0.00 C ATOM 708 CD ARG A 49 -1.109 6.006 -4.969 1.00 0.00 C ATOM 709 NE ARG A 49 -0.086 6.767 -4.257 1.00 0.00 N ATOM 710 CZ ARG A 49 -0.360 7.757 -3.414 1.00 0.00 C ATOM 711 NH1 ARG A 49 -1.619 8.104 -3.180 1.00 0.00 N ATOM 712 NH2 ARG A 49 0.625 8.403 -2.804 1.00 0.00 N ATOM 0 H ARG A 49 -0.861 1.894 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.218 2.926 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.625 3.474 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.172 4.261 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.372 5.251 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.845 4.406 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.688 5.609 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.925 6.671 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 49 0.892 6.525 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.379 7.610 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.827 8.864 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.594 8.140 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.413 9.163 -2.157 1.00 0.00 H new ATOM 726 N LYS A 50 -3.633 1.469 -6.198 1.00 0.00 N ATOM 727 CA LYS A 50 -4.609 0.786 -7.038 1.00 0.00 C ATOM 728 C LYS A 50 -5.386 -0.253 -6.235 1.00 0.00 C ATOM 729 O LYS A 50 -6.574 -0.476 -6.473 1.00 0.00 O ATOM 730 CB LYS A 50 -3.912 0.113 -8.222 1.00 0.00 C ATOM 731 CG LYS A 50 -2.977 -1.014 -7.818 1.00 0.00 C ATOM 732 CD LYS A 50 -2.654 -1.919 -8.994 1.00 0.00 C ATOM 733 CE LYS A 50 -1.617 -2.968 -8.621 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.215 -3.793 -9.795 1.00 0.00 N ATOM 0 H LYS A 50 -2.715 1.585 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.312 1.530 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.668 -0.280 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.346 0.863 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.054 -0.596 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.435 -1.600 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.564 -2.411 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.284 -1.319 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.738 -2.477 -8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.020 -3.616 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.508 -4.496 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.049 -4.282 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.807 -3.178 -10.528 1.00 0.00 H new ATOM 748 N LEU A 51 -4.709 -0.884 -5.282 1.00 0.00 N ATOM 749 CA LEU A 51 -5.337 -1.898 -4.442 1.00 0.00 C ATOM 750 C LEU A 51 -6.195 -1.253 -3.359 1.00 0.00 C ATOM 751 O LEU A 51 -7.394 -1.515 -3.266 1.00 0.00 O ATOM 752 CB LEU A 51 -4.270 -2.789 -3.801 1.00 0.00 C ATOM 753 CG LEU A 51 -4.735 -4.174 -3.350 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.406 -4.912 -4.498 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.563 -4.979 -2.807 1.00 0.00 C ATOM 0 H LEU A 51 -3.726 -0.712 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.982 -2.510 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.455 -2.916 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.860 -2.266 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.465 -4.049 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.730 -5.896 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.270 -4.343 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.699 -5.027 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.912 -5.962 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.809 -5.095 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.127 -4.457 -1.955 1.00 0.00 H new ATOM 767 N ALA A 52 -5.573 -0.408 -2.543 1.00 0.00 N ATOM 768 CA ALA A 52 -6.281 0.277 -1.469 1.00 0.00 C ATOM 769 C ALA A 52 -7.613 0.835 -1.958 1.00 0.00 C ATOM 770 O ALA A 52 -8.629 0.740 -1.269 1.00 0.00 O ATOM 771 CB ALA A 52 -5.419 1.392 -0.895 1.00 0.00 C ATOM 0 H ALA A 52 -4.580 -0.182 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.487 -0.449 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.961 1.895 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.495 0.971 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.183 2.110 -1.680 1.00 0.00 H new ATOM 777 N VAL A 53 -7.602 1.419 -3.153 1.00 0.00 N ATOM 778 CA VAL A 53 -8.810 1.992 -3.734 1.00 0.00 C ATOM 779 C VAL A 53 -9.852 0.914 -4.012 1.00 0.00 C ATOM 780 O VAL A 53 -11.054 1.152 -3.894 1.00 0.00 O ATOM 781 CB VAL A 53 -8.501 2.741 -5.044 1.00 0.00 C ATOM 782 CG1 VAL A 53 -9.772 3.336 -5.632 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.458 3.822 -4.806 1.00 0.00 C ATOM 0 H VAL A 53 -6.770 1.507 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.208 2.698 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.096 2.028 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.534 3.861 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.484 2.538 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.209 4.036 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.252 4.341 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.833 4.534 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.540 3.367 -4.434 1.00 0.00 H new ATOM 793 N LEU A 54 -9.382 -0.273 -4.381 1.00 0.00 N ATOM 794 CA LEU A 54 -10.273 -1.390 -4.675 1.00 0.00 C ATOM 795 C LEU A 54 -10.806 -2.015 -3.390 1.00 0.00 C ATOM 796 O LEU A 54 -11.947 -2.476 -3.338 1.00 0.00 O ATOM 797 CB LEU A 54 -9.541 -2.447 -5.504 1.00 0.00 C ATOM 798 CG LEU A 54 -10.403 -3.584 -6.054 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.346 -3.067 -7.130 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.527 -4.700 -6.603 1.00 0.00 C ATOM 0 H LEU A 54 -8.390 -0.486 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.117 -1.008 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.054 -1.949 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.753 -2.881 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.002 -3.987 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.951 -3.890 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.998 -2.303 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.766 -2.637 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.158 -5.500 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.902 -4.310 -7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.893 -5.090 -5.807 1.00 0.00 H new ATOM 812 N LEU A 55 -9.975 -2.024 -2.354 1.00 0.00 N ATOM 813 CA LEU A 55 -10.363 -2.590 -1.067 1.00 0.00 C ATOM 814 C LEU A 55 -10.884 -1.505 -0.130 1.00 0.00 C ATOM 815 O LEU A 55 -11.187 -1.768 1.034 1.00 0.00 O ATOM 816 CB LEU A 55 -9.175 -3.308 -0.424 1.00 0.00 C ATOM 817 CG LEU A 55 -8.459 -4.337 -1.299 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.085 -4.657 -0.732 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.293 -5.603 -1.426 1.00 0.00 C ATOM 0 H LEU A 55 -9.028 -1.646 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.163 -3.309 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.448 -2.558 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.524 -3.809 0.479 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.329 -3.911 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.591 -5.391 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.486 -3.747 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.192 -5.062 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.767 -6.324 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.456 -6.032 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.254 -5.361 -1.879 1.00 0.00 H new ATOM 831 N HIS A 56 -10.987 -0.285 -0.646 1.00 0.00 N ATOM 832 CA HIS A 56 -11.475 0.841 0.144 1.00 0.00 C ATOM 833 C HIS A 56 -12.808 0.503 0.806 1.00 0.00 C ATOM 834 O HIS A 56 -13.667 -0.159 0.224 1.00 0.00 O ATOM 835 CB HIS A 56 -11.629 2.081 -0.737 1.00 0.00 C ATOM 836 CG HIS A 56 -11.371 3.366 -0.012 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.369 4.261 0.311 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.220 3.904 0.454 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.843 5.295 0.943 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.540 5.103 1.043 1.00 0.00 N ATOM 0 H HIS A 56 -10.739 -0.050 -1.607 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.744 1.049 0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.943 2.005 -1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.638 2.102 -1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.233 3.471 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.386 6.151 1.315 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.879 5.741 1.486 1.00 0.00 H new ATOM 848 N PRO A 57 -12.985 0.968 2.051 1.00 0.00 N ATOM 849 CA PRO A 57 -14.211 0.727 2.819 1.00 0.00 C ATOM 850 C PRO A 57 -15.405 1.492 2.258 1.00 0.00 C ATOM 851 O PRO A 57 -16.520 0.971 2.209 1.00 0.00 O ATOM 852 CB PRO A 57 -13.858 1.237 4.219 1.00 0.00 C ATOM 853 CG PRO A 57 -12.787 2.247 3.995 1.00 0.00 C ATOM 854 CD PRO A 57 -12.003 1.764 2.806 1.00 0.00 C ATOM 0 HA PRO A 57 -14.509 -0.321 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.725 1.681 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.510 0.427 4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.213 3.232 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.147 2.339 4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.618 2.594 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.145 1.163 3.107 1.00 0.00 H new ATOM 862 N ASP A 58 -15.165 2.729 1.838 1.00 0.00 N ATOM 863 CA ASP A 58 -16.221 3.565 1.279 1.00 0.00 C ATOM 864 C ASP A 58 -16.583 3.112 -0.132 1.00 0.00 C ATOM 865 O ASP A 58 -17.539 3.608 -0.729 1.00 0.00 O ATOM 866 CB ASP A 58 -15.786 5.031 1.262 1.00 0.00 C ATOM 867 CG ASP A 58 -16.102 5.743 2.562 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.449 5.436 3.581 1.00 0.00 O ATOM 869 OD2 ASP A 58 -17.003 6.608 2.561 1.00 0.00 O ATOM 0 H ASP A 58 -14.248 3.175 1.874 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.103 3.464 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.714 5.087 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.283 5.545 0.439 1.00 0.00 H new ATOM 874 N LYS A 59 -15.812 2.168 -0.662 1.00 0.00 N ATOM 875 CA LYS A 59 -16.050 1.648 -2.003 1.00 0.00 C ATOM 876 C LYS A 59 -16.371 0.158 -1.959 1.00 0.00 C ATOM 877 O LYS A 59 -17.034 -0.370 -2.852 1.00 0.00 O ATOM 878 CB LYS A 59 -14.827 1.891 -2.891 1.00 0.00 C ATOM 879 CG LYS A 59 -14.508 3.362 -3.096 1.00 0.00 C ATOM 880 CD LYS A 59 -13.076 3.561 -3.565 1.00 0.00 C ATOM 881 CE LYS A 59 -12.593 4.978 -3.295 1.00 0.00 C ATOM 882 NZ LYS A 59 -11.113 5.041 -3.149 1.00 0.00 N ATOM 0 H LYS A 59 -15.016 1.747 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.907 2.174 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.962 1.399 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.995 1.425 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.194 3.786 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.665 3.903 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.424 2.850 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.009 3.350 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.905 5.630 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.064 5.355 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.872 5.515 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.723 4.077 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.708 5.575 -3.944 1.00 0.00 H new ATOM 896 N CYS A 60 -15.898 -0.514 -0.915 1.00 0.00 N ATOM 897 CA CYS A 60 -16.136 -1.945 -0.755 1.00 0.00 C ATOM 898 C CYS A 60 -16.722 -2.248 0.620 1.00 0.00 C ATOM 899 O CYS A 60 -16.008 -2.256 1.623 1.00 0.00 O ATOM 900 CB CYS A 60 -14.835 -2.724 -0.952 1.00 0.00 C ATOM 901 SG CYS A 60 -15.075 -4.459 -1.401 1.00 0.00 S ATOM 0 H CYS A 60 -15.348 -0.092 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.855 -2.256 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.246 -2.237 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.252 -2.675 -0.032 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.918 -5.033 -1.548 1.00 0.00 H new ATOM 907 N VAL A 61 -18.027 -2.495 0.660 1.00 0.00 N ATOM 908 CA VAL A 61 -18.710 -2.798 1.912 1.00 0.00 C ATOM 909 C VAL A 61 -18.614 -4.283 2.245 1.00 0.00 C ATOM 910 O VAL A 61 -19.214 -4.752 3.211 1.00 0.00 O ATOM 911 CB VAL A 61 -20.195 -2.391 1.854 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.330 -0.887 1.673 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.908 -3.138 0.737 1.00 0.00 C ATOM 0 H VAL A 61 -18.633 -2.491 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.213 -2.221 2.692 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.666 -2.662 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.386 -0.619 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.856 -0.376 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.845 -0.587 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.956 -2.839 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.438 -2.900 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.842 -4.211 0.917 1.00 0.00 H new ATOM 923 N ALA A 62 -17.854 -5.016 1.438 1.00 0.00 N ATOM 924 CA ALA A 62 -17.677 -6.448 1.649 1.00 0.00 C ATOM 925 C ALA A 62 -17.169 -6.737 3.057 1.00 0.00 C ATOM 926 O ALA A 62 -16.549 -5.893 3.705 1.00 0.00 O ATOM 927 CB ALA A 62 -16.720 -7.019 0.613 1.00 0.00 C ATOM 0 H ALA A 62 -17.351 -4.642 0.633 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.648 -6.930 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.597 -8.089 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.124 -6.854 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.753 -6.524 0.700 1.00 0.00 H new ATOM 933 N PRO A 63 -17.438 -7.957 3.545 1.00 0.00 N ATOM 934 CA PRO A 63 -17.017 -8.385 4.883 1.00 0.00 C ATOM 935 C PRO A 63 -15.507 -8.569 4.984 1.00 0.00 C ATOM 936 O PRO A 63 -14.901 -8.260 6.009 1.00 0.00 O ATOM 937 CB PRO A 63 -17.733 -9.725 5.068 1.00 0.00 C ATOM 938 CG PRO A 63 -17.955 -10.230 3.684 1.00 0.00 C ATOM 939 CD PRO A 63 -18.173 -9.013 2.829 1.00 0.00 C ATOM 0 HA PRO A 63 -17.264 -7.645 5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.128 -10.420 5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.676 -9.600 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.096 -10.803 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.818 -10.894 3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.788 -9.157 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.232 -8.772 2.735 1.00 0.00 H new ATOM 947 N GLY A 64 -14.904 -9.076 3.912 1.00 0.00 N ATOM 948 CA GLY A 64 -13.469 -9.293 3.902 1.00 0.00 C ATOM 949 C GLY A 64 -12.699 -8.057 3.480 1.00 0.00 C ATOM 950 O GLY A 64 -11.559 -7.856 3.897 1.00 0.00 O ATOM 0 H GLY A 64 -15.384 -9.340 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.144 -9.598 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.233 -10.113 3.224 1.00 0.00 H new ATOM 954 N SER A 65 -13.323 -7.227 2.650 1.00 0.00 N ATOM 955 CA SER A 65 -12.687 -6.007 2.167 1.00 0.00 C ATOM 956 C SER A 65 -11.984 -5.274 3.306 1.00 0.00 C ATOM 957 O SER A 65 -10.911 -4.701 3.120 1.00 0.00 O ATOM 958 CB SER A 65 -13.724 -5.089 1.517 1.00 0.00 C ATOM 959 OG SER A 65 -14.638 -4.591 2.479 1.00 0.00 O ATOM 0 H SER A 65 -14.268 -7.377 2.298 1.00 0.00 H new ATOM 0 HA SER A 65 -11.941 -6.285 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.220 -4.257 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.265 -5.636 0.745 1.00 0.00 H new ATOM 0 HG SER A 65 -15.016 -5.338 2.988 1.00 0.00 H new ATOM 965 N GLU A 66 -12.598 -5.297 4.485 1.00 0.00 N ATOM 966 CA GLU A 66 -12.032 -4.634 5.653 1.00 0.00 C ATOM 967 C GLU A 66 -10.660 -5.209 5.993 1.00 0.00 C ATOM 968 O GLU A 66 -9.658 -4.493 5.992 1.00 0.00 O ATOM 969 CB GLU A 66 -12.970 -4.779 6.854 1.00 0.00 C ATOM 970 CG GLU A 66 -12.608 -3.877 8.021 1.00 0.00 C ATOM 971 CD GLU A 66 -13.131 -4.398 9.346 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.362 -4.366 9.551 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.309 -4.838 10.177 1.00 0.00 O ATOM 0 H GLU A 66 -13.487 -5.767 4.656 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.916 -3.576 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.989 -4.558 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.959 -5.816 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.524 -3.778 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.010 -2.880 7.843 1.00 0.00 H new ATOM 980 N ASP A 67 -10.624 -6.504 6.285 1.00 0.00 N ATOM 981 CA ASP A 67 -9.375 -7.176 6.627 1.00 0.00 C ATOM 982 C ASP A 67 -8.350 -7.020 5.508 1.00 0.00 C ATOM 983 O ASP A 67 -7.150 -6.924 5.762 1.00 0.00 O ATOM 984 CB ASP A 67 -9.629 -8.659 6.901 1.00 0.00 C ATOM 985 CG ASP A 67 -10.158 -8.908 8.300 1.00 0.00 C ATOM 986 OD1 ASP A 67 -11.390 -8.830 8.491 1.00 0.00 O ATOM 987 OD2 ASP A 67 -9.341 -9.181 9.204 1.00 0.00 O ATOM 0 H ASP A 67 -11.445 -7.110 6.292 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.975 -6.711 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.343 -9.043 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.702 -9.215 6.762 1.00 0.00 H new ATOM 992 N ALA A 68 -8.832 -6.998 4.270 1.00 0.00 N ATOM 993 CA ALA A 68 -7.958 -6.853 3.113 1.00 0.00 C ATOM 994 C ALA A 68 -7.131 -5.575 3.206 1.00 0.00 C ATOM 995 O ALA A 68 -5.910 -5.602 3.053 1.00 0.00 O ATOM 996 CB ALA A 68 -8.776 -6.863 1.830 1.00 0.00 C ATOM 0 H ALA A 68 -9.823 -7.079 4.043 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.270 -7.699 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.111 -6.754 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.318 -7.806 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.487 -6.037 1.845 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.805 -4.457 3.456 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.132 -3.168 3.568 1.00 0.00 C ATOM 1004 C PHE A 69 -6.115 -3.182 4.705 1.00 0.00 C ATOM 1005 O PHE A 69 -5.017 -2.638 4.580 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.154 -2.053 3.797 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.576 -0.673 3.667 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.982 -0.265 2.483 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.625 0.215 4.729 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.449 1.004 2.360 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.094 1.486 4.612 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.504 1.881 3.427 1.00 0.00 C ATOM 0 H PHE A 69 -8.816 -4.418 3.585 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.603 -2.981 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.969 -2.166 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.585 -2.165 4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.935 -0.947 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.083 -0.089 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.990 1.310 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.140 2.170 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.087 2.873 3.334 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.488 -3.807 5.817 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.610 -3.894 6.978 1.00 0.00 C ATOM 1024 C LYS A 70 -4.286 -4.556 6.610 1.00 0.00 C ATOM 1025 O LYS A 70 -3.215 -4.048 6.941 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.291 -4.681 8.100 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.089 -3.810 9.055 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.525 -3.640 8.587 1.00 0.00 C ATOM 1029 CE LYS A 70 -8.677 -2.425 7.685 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.517 -1.151 8.440 1.00 0.00 N ATOM 0 H LYS A 70 -7.393 -4.261 5.939 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.406 -2.881 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.954 -5.425 7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.533 -5.224 8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.080 -4.256 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.615 -2.832 9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.842 -4.534 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.181 -3.537 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.936 -2.470 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.658 -2.445 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.978 -0.378 7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.956 -1.246 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.505 -0.938 8.552 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.367 -5.691 5.924 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.174 -6.419 5.509 1.00 0.00 C ATOM 1046 C ALA A 71 -2.297 -5.564 4.601 1.00 0.00 C ATOM 1047 O ALA A 71 -1.090 -5.450 4.814 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.563 -7.711 4.806 1.00 0.00 C ATOM 0 H ALA A 71 -5.246 -6.126 5.644 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.598 -6.663 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.663 -8.245 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.142 -8.335 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.163 -7.480 3.926 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.911 -4.965 3.585 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.186 -4.119 2.645 1.00 0.00 C ATOM 1056 C VAL A 72 -1.268 -3.146 3.375 1.00 0.00 C ATOM 1057 O VAL A 72 -0.072 -3.071 3.091 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.151 -3.322 1.747 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.379 -2.368 0.848 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.012 -4.266 0.921 1.00 0.00 C ATOM 0 H VAL A 72 -3.909 -5.050 3.392 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.585 -4.782 2.022 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.808 -2.731 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.077 -1.814 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.810 -1.670 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.696 -2.936 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.688 -3.686 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.373 -4.885 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.593 -4.904 1.586 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.835 -2.401 4.319 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.068 -1.432 5.093 1.00 0.00 C ATOM 1072 C VAL A 73 0.120 -2.096 5.781 1.00 0.00 C ATOM 1073 O VAL A 73 1.265 -1.685 5.599 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.944 -0.743 6.155 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -1.103 0.183 7.022 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -3.081 0.020 5.494 1.00 0.00 C ATOM 0 H VAL A 73 -2.823 -2.450 4.566 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.704 -0.682 4.391 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.377 -1.510 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.739 0.661 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.327 -0.394 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.640 0.946 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.690 0.501 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.671 0.779 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.698 -0.672 4.921 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.162 -3.126 6.573 1.00 0.00 N ATOM 1087 CA ASN A 74 0.883 -3.847 7.289 1.00 0.00 C ATOM 1088 C ASN A 74 2.013 -4.248 6.345 1.00 0.00 C ATOM 1089 O ASN A 74 3.176 -4.303 6.741 1.00 0.00 O ATOM 1090 CB ASN A 74 0.302 -5.091 7.964 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.190 -4.809 9.371 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.601 -4.555 10.279 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.505 -4.852 9.557 1.00 0.00 N ATOM 0 H ASN A 74 -1.105 -3.479 6.735 1.00 0.00 H new ATOM 0 HA ASN A 74 1.290 -3.184 8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.523 -5.475 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.062 -5.871 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.896 -4.670 10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.124 -5.067 8.775 1.00 0.00 H new ATOM 1100 N ALA A 75 1.660 -4.527 5.094 1.00 0.00 N ATOM 1101 CA ALA A 75 2.644 -4.920 4.093 1.00 0.00 C ATOM 1102 C ALA A 75 3.394 -3.707 3.554 1.00 0.00 C ATOM 1103 O ALA A 75 4.616 -3.616 3.677 1.00 0.00 O ATOM 1104 CB ALA A 75 1.968 -5.673 2.956 1.00 0.00 C ATOM 0 H ALA A 75 0.700 -4.488 4.750 1.00 0.00 H new ATOM 0 HA ALA A 75 3.369 -5.579 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.714 -5.961 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.484 -6.567 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.221 -5.032 2.488 1.00 0.00 H new ATOM 1110 N ARG A 76 2.655 -2.777 2.957 1.00 0.00 N ATOM 1111 CA ARG A 76 3.251 -1.570 2.398 1.00 0.00 C ATOM 1112 C ARG A 76 4.124 -0.865 3.433 1.00 0.00 C ATOM 1113 O ARG A 76 5.347 -0.815 3.300 1.00 0.00 O ATOM 1114 CB ARG A 76 2.160 -0.619 1.902 1.00 0.00 C ATOM 1115 CG ARG A 76 2.687 0.740 1.471 1.00 0.00 C ATOM 1116 CD ARG A 76 1.676 1.842 1.747 1.00 0.00 C ATOM 1117 NE ARG A 76 2.277 3.170 1.661 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.793 4.238 2.284 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.705 4.134 3.036 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.396 5.413 2.157 1.00 0.00 N ATOM 0 H ARG A 76 1.643 -2.837 2.848 1.00 0.00 H new ATOM 0 HA ARG A 76 3.879 -1.862 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.641 -1.081 1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.424 -0.479 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.616 0.956 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.923 0.719 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.856 1.768 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.248 1.701 2.740 1.00 0.00 H new ATOM 0 HE ARG A 76 3.115 3.284 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.239 3.232 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.335 4.956 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.233 5.497 1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.023 6.232 2.636 1.00 0.00 H new ATOM 1134 N THR A 77 3.486 -0.321 4.465 1.00 0.00 N ATOM 1135 CA THR A 77 4.203 0.383 5.521 1.00 0.00 C ATOM 1136 C THR A 77 5.462 -0.374 5.929 1.00 0.00 C ATOM 1137 O THR A 77 6.507 0.228 6.173 1.00 0.00 O ATOM 1138 CB THR A 77 3.315 0.587 6.763 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.139 1.323 6.408 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.073 1.327 7.855 1.00 0.00 C ATOM 0 H THR A 77 2.474 -0.355 4.592 1.00 0.00 H new ATOM 0 HA THR A 77 4.482 1.357 5.119 1.00 0.00 H new ATOM 0 HB THR A 77 3.029 -0.394 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.579 1.447 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.425 1.459 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.952 0.750 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.386 2.303 7.484 1.00 0.00 H new ATOM 1148 N ALA A 78 5.354 -1.696 6.001 1.00 0.00 N ATOM 1149 CA ALA A 78 6.485 -2.535 6.378 1.00 0.00 C ATOM 1150 C ALA A 78 7.596 -2.460 5.335 1.00 0.00 C ATOM 1151 O ALA A 78 8.737 -2.121 5.651 1.00 0.00 O ATOM 1152 CB ALA A 78 6.034 -3.976 6.568 1.00 0.00 C ATOM 0 H ALA A 78 4.495 -2.209 5.803 1.00 0.00 H new ATOM 0 HA ALA A 78 6.882 -2.163 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.889 -4.591 6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.281 -4.021 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.609 -4.350 5.637 1.00 0.00 H new ATOM 1158 N LEU A 79 7.255 -2.779 4.091 1.00 0.00 N ATOM 1159 CA LEU A 79 8.223 -2.749 3.001 1.00 0.00 C ATOM 1160 C LEU A 79 8.923 -1.395 2.932 1.00 0.00 C ATOM 1161 O LEU A 79 10.147 -1.311 3.039 1.00 0.00 O ATOM 1162 CB LEU A 79 7.532 -3.046 1.669 1.00 0.00 C ATOM 1163 CG LEU A 79 6.833 -4.402 1.564 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.945 -4.451 0.331 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.856 -5.529 1.533 1.00 0.00 C ATOM 0 H LEU A 79 6.315 -3.061 3.813 1.00 0.00 H new ATOM 0 HA LEU A 79 8.973 -3.517 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.795 -2.264 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.275 -2.980 0.874 1.00 0.00 H new ATOM 0 HG LEU A 79 6.204 -4.534 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.456 -5.423 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.189 -3.668 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.552 -4.297 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.340 -6.486 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.512 -5.402 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.449 -5.507 2.447 1.00 0.00 H new ATOM 1177 N LEU A 80 8.139 -0.338 2.754 1.00 0.00 N ATOM 1178 CA LEU A 80 8.683 1.013 2.674 1.00 0.00 C ATOM 1179 C LEU A 80 9.786 1.219 3.707 1.00 0.00 C ATOM 1180 O LEU A 80 10.908 1.593 3.367 1.00 0.00 O ATOM 1181 CB LEU A 80 7.572 2.044 2.884 1.00 0.00 C ATOM 1182 CG LEU A 80 6.411 1.992 1.891 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.347 3.014 2.259 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.911 2.228 0.473 1.00 0.00 C ATOM 0 H LEU A 80 7.124 -0.390 2.662 1.00 0.00 H new ATOM 0 HA LEU A 80 9.112 1.147 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.170 1.916 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.015 3.039 2.843 1.00 0.00 H new ATOM 0 HG LEU A 80 5.963 0.999 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.529 2.962 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.967 2.800 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.781 4.014 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.071 2.187 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.385 3.208 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.636 1.458 0.210 1.00 0.00 H new