USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 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 85 MET CE :methyl 155:sc= -0.26 (180deg=-0.936) USER MOD Set 1.2: A 101 MET CE :methyl -140:sc= -1.17 (180deg=-3.18!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 151:sc= -3.85! (180deg=-4.97!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0899 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -3:sc= -1.38! USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -134:sc= -0.357 (180deg=-0.754) USER MOD Single : A 113 MET CE :methyl 136:sc= -1.41 (180deg=-4.97!) USER MOD Single : A 114 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 116 CYS SG : rot -136:sc= -1.24! USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.0306 X(o=0.031,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 130:sc= 0 USER MOD Single : A 172 ASN : amide:sc= -1.02 K(o=-1,f=-0.034) USER MOD Single : A 176 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-6.8!) USER MOD Single : A 179 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 183 GLN : amide:sc= -7.47! C(o=-7.5!,f=-9.7!) USER MOD Single : A 188 HIS : no HE2:sc= 0.734 K(o=0.73,f=-4.5!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 85 19.800 -2.069 3.305 1.00 1.73 N ATOM 142 CA MET A 85 19.364 -3.417 2.956 1.00 1.50 C ATOM 143 C MET A 85 18.465 -4.001 4.040 1.00 1.22 C ATOM 144 O MET A 85 18.895 -4.211 5.176 1.00 1.24 O ATOM 145 CB MET A 85 20.565 -4.335 2.717 1.00 1.69 C ATOM 146 CG MET A 85 21.442 -3.900 1.554 1.00 2.17 C ATOM 147 SD MET A 85 22.723 -5.107 1.155 1.00 2.25 S ATOM 148 CE MET A 85 21.719 -6.504 0.656 1.00 2.83 C ATOM 0 HA MET A 85 18.789 -3.348 2.032 1.00 1.50 H new ATOM 0 HB2 MET A 85 21.170 -4.372 3.623 1.00 1.69 H new ATOM 0 HB3 MET A 85 20.207 -5.348 2.532 1.00 1.69 H new ATOM 0 HG2 MET A 85 20.818 -3.736 0.676 1.00 2.17 H new ATOM 0 HG3 MET A 85 21.911 -2.946 1.795 1.00 2.17 H new ATOM 0 HE1 MET A 85 22.292 -7.142 -0.016 1.00 2.83 H new ATOM 0 HE2 MET A 85 21.426 -7.075 1.537 1.00 2.83 H new ATOM 0 HE3 MET A 85 20.826 -6.146 0.143 1.00 2.83 H new ATOM 158 N ARG A 86 17.214 -4.254 3.678 1.00 1.11 N ATOM 159 CA ARG A 86 16.231 -4.788 4.614 1.00 1.09 C ATOM 160 C ARG A 86 15.080 -5.459 3.865 1.00 0.90 C ATOM 161 O ARG A 86 14.695 -5.014 2.790 1.00 0.83 O ATOM 162 CB ARG A 86 15.683 -3.660 5.499 1.00 1.42 C ATOM 163 CG ARG A 86 14.798 -2.670 4.753 1.00 1.04 C ATOM 164 CD ARG A 86 13.333 -2.835 5.136 1.00 1.23 C ATOM 165 NE ARG A 86 13.087 -2.366 6.495 1.00 1.82 N ATOM 166 CZ ARG A 86 12.219 -2.913 7.351 1.00 2.48 C ATOM 167 NH1 ARG A 86 11.488 -3.961 6.998 1.00 2.60 N ATOM 168 NH2 ARG A 86 12.094 -2.408 8.572 1.00 3.32 N ATOM 0 H ARG A 86 16.854 -4.097 2.737 1.00 1.11 H new ATOM 0 HA ARG A 86 16.722 -5.534 5.239 1.00 1.09 H new ATOM 0 HB2 ARG A 86 15.113 -4.098 6.318 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.519 -3.122 5.945 1.00 1.42 H new ATOM 0 HG2 ARG A 86 15.121 -1.653 4.974 1.00 1.04 H new ATOM 0 HG3 ARG A 86 14.913 -2.815 3.679 1.00 1.04 H new ATOM 0 HD2 ARG A 86 12.707 -2.279 4.438 1.00 1.23 H new ATOM 0 HD3 ARG A 86 13.049 -3.884 5.053 1.00 1.23 H new ATOM 0 HE ARG A 86 13.619 -1.557 6.817 1.00 1.82 H new ATOM 0 HH11 ARG A 86 11.585 -4.359 6.064 1.00 2.60 H new ATOM 0 HH12 ARG A 86 10.829 -4.370 7.661 1.00 2.60 H new ATOM 0 HH21 ARG A 86 12.659 -1.606 8.853 1.00 3.32 H new ATOM 0 HH22 ARG A 86 11.433 -2.821 9.230 1.00 3.32 H new ATOM 182 N PRO A 87 14.525 -6.547 4.411 1.00 0.91 N ATOM 183 CA PRO A 87 13.314 -7.162 3.874 1.00 0.80 C ATOM 184 C PRO A 87 12.075 -6.360 4.269 1.00 0.73 C ATOM 185 O PRO A 87 11.788 -6.200 5.455 1.00 0.88 O ATOM 186 CB PRO A 87 13.288 -8.557 4.524 1.00 0.99 C ATOM 187 CG PRO A 87 14.572 -8.681 5.285 1.00 1.24 C ATOM 188 CD PRO A 87 15.032 -7.283 5.571 1.00 1.12 C ATOM 0 HA PRO A 87 13.313 -7.203 2.785 1.00 0.80 H new ATOM 0 HB2 PRO A 87 12.429 -8.663 5.187 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.205 -9.338 3.768 1.00 0.99 H new ATOM 0 HG2 PRO A 87 14.423 -9.238 6.210 1.00 1.24 H new ATOM 0 HG3 PRO A 87 15.317 -9.224 4.703 1.00 1.24 H new ATOM 0 HD2 PRO A 87 14.621 -6.902 6.506 1.00 1.12 H new ATOM 0 HD3 PRO A 87 16.117 -7.220 5.651 1.00 1.12 H new ATOM 196 N LEU A 88 11.353 -5.840 3.288 1.00 0.56 N ATOM 197 CA LEU A 88 10.202 -4.985 3.566 1.00 0.53 C ATOM 198 C LEU A 88 8.909 -5.679 3.150 1.00 0.42 C ATOM 199 O LEU A 88 8.893 -6.460 2.194 1.00 0.40 O ATOM 200 CB LEU A 88 10.374 -3.639 2.846 1.00 0.58 C ATOM 201 CG LEU A 88 9.450 -2.498 3.292 1.00 1.02 C ATOM 202 CD1 LEU A 88 10.157 -1.161 3.132 1.00 1.45 C ATOM 203 CD2 LEU A 88 8.160 -2.494 2.487 1.00 1.60 C ATOM 0 H LEU A 88 11.540 -5.992 2.297 1.00 0.56 H new ATOM 0 HA LEU A 88 10.142 -4.796 4.638 1.00 0.53 H new ATOM 0 HB2 LEU A 88 11.406 -3.312 2.976 1.00 0.58 H new ATOM 0 HB3 LEU A 88 10.223 -3.802 1.779 1.00 0.58 H new ATOM 0 HG LEU A 88 9.202 -2.655 4.342 1.00 1.02 H new ATOM 0 HD11 LEU A 88 9.493 -0.358 3.451 1.00 1.45 H new ATOM 0 HD12 LEU A 88 11.059 -1.151 3.744 1.00 1.45 H new ATOM 0 HD13 LEU A 88 10.427 -1.015 2.086 1.00 1.45 H new ATOM 0 HD21 LEU A 88 7.524 -1.676 2.824 1.00 1.60 H new ATOM 0 HD22 LEU A 88 8.391 -2.363 1.430 1.00 1.60 H new ATOM 0 HD23 LEU A 88 7.639 -3.441 2.630 1.00 1.60 H new ATOM 215 N LYS A 89 7.839 -5.405 3.886 1.00 0.41 N ATOM 216 CA LYS A 89 6.546 -6.026 3.630 1.00 0.36 C ATOM 217 C LYS A 89 5.776 -5.262 2.561 1.00 0.30 C ATOM 218 O LYS A 89 5.258 -4.171 2.811 1.00 0.33 O ATOM 219 CB LYS A 89 5.718 -6.077 4.915 1.00 0.46 C ATOM 220 CG LYS A 89 6.364 -6.878 6.031 1.00 0.63 C ATOM 221 CD LYS A 89 5.571 -6.767 7.321 1.00 1.12 C ATOM 222 CE LYS A 89 6.178 -7.624 8.416 1.00 1.44 C ATOM 223 NZ LYS A 89 5.480 -7.446 9.717 1.00 2.13 N ATOM 0 H LYS A 89 7.842 -4.752 4.670 1.00 0.41 H new ATOM 0 HA LYS A 89 6.727 -7.040 3.274 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.545 -5.059 5.265 1.00 0.46 H new ATOM 0 HB3 LYS A 89 4.742 -6.507 4.690 1.00 0.46 H new ATOM 0 HG2 LYS A 89 6.436 -7.925 5.735 1.00 0.63 H new ATOM 0 HG3 LYS A 89 7.381 -6.522 6.195 1.00 0.63 H new ATOM 0 HD2 LYS A 89 5.542 -5.726 7.644 1.00 1.12 H new ATOM 0 HD3 LYS A 89 4.540 -7.075 7.145 1.00 1.12 H new ATOM 0 HE2 LYS A 89 6.134 -8.673 8.122 1.00 1.44 H new ATOM 0 HE3 LYS A 89 7.232 -7.370 8.533 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 5.927 -8.050 10.436 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 5.544 -6.451 10.012 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 4.480 -7.713 9.614 1.00 2.13 H new ATOM 237 N ILE A 90 5.713 -5.828 1.368 1.00 0.27 N ATOM 238 CA ILE A 90 4.932 -5.240 0.294 1.00 0.26 C ATOM 239 C ILE A 90 3.761 -6.155 -0.058 1.00 0.26 C ATOM 240 O ILE A 90 3.927 -7.369 -0.173 1.00 0.37 O ATOM 241 CB ILE A 90 5.805 -4.946 -0.959 1.00 0.33 C ATOM 242 CG1 ILE A 90 6.490 -6.210 -1.492 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.855 -3.892 -0.639 1.00 0.43 C ATOM 244 CD1 ILE A 90 5.750 -6.871 -2.635 1.00 0.50 C ATOM 0 H ILE A 90 6.193 -6.693 1.119 1.00 0.27 H new ATOM 0 HA ILE A 90 4.542 -4.284 0.642 1.00 0.26 H new ATOM 0 HB ILE A 90 5.137 -4.573 -1.735 1.00 0.33 H new ATOM 0 HG12 ILE A 90 7.497 -5.954 -1.823 1.00 0.41 H new ATOM 0 HG13 ILE A 90 6.595 -6.926 -0.677 1.00 0.41 H new ATOM 0 HG21 ILE A 90 7.458 -3.698 -1.526 1.00 0.43 H new ATOM 0 HG22 ILE A 90 6.363 -2.971 -0.326 1.00 0.43 H new ATOM 0 HG23 ILE A 90 7.498 -4.251 0.165 1.00 0.43 H new ATOM 0 HD11 ILE A 90 6.296 -7.758 -2.957 1.00 0.50 H new ATOM 0 HD12 ILE A 90 4.752 -7.159 -2.304 1.00 0.50 H new ATOM 0 HD13 ILE A 90 5.668 -6.173 -3.468 1.00 0.50 H new ATOM 256 N ARG A 91 2.572 -5.587 -0.190 1.00 0.23 N ATOM 257 CA ARG A 91 1.398 -6.382 -0.511 1.00 0.29 C ATOM 258 C ARG A 91 0.885 -6.032 -1.901 1.00 0.37 C ATOM 259 O ARG A 91 0.490 -4.897 -2.169 1.00 0.39 O ATOM 260 CB ARG A 91 0.289 -6.189 0.528 1.00 0.35 C ATOM 261 CG ARG A 91 -0.822 -7.224 0.406 1.00 0.51 C ATOM 262 CD ARG A 91 -1.978 -6.942 1.348 1.00 0.67 C ATOM 263 NE ARG A 91 -1.586 -6.971 2.753 1.00 1.05 N ATOM 264 CZ ARG A 91 -2.142 -6.198 3.681 1.00 1.32 C ATOM 265 NH1 ARG A 91 -3.131 -5.378 3.355 1.00 1.20 N ATOM 266 NH2 ARG A 91 -1.731 -6.262 4.939 1.00 2.24 N ATOM 0 H ARG A 91 2.396 -4.588 -0.081 1.00 0.23 H new ATOM 0 HA ARG A 91 1.692 -7.431 -0.495 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.721 -6.242 1.527 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.136 -5.192 0.417 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.189 -7.241 -0.620 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.418 -8.214 0.617 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -2.401 -5.965 1.114 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -2.764 -7.678 1.180 1.00 0.67 H new ATOM 0 HE ARG A 91 -0.849 -7.616 3.037 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -3.466 -5.340 2.392 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -3.558 -4.785 4.067 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -0.985 -6.907 5.199 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -2.161 -5.667 5.647 1.00 2.24 H new ATOM 280 N MET A 92 0.892 -7.022 -2.776 1.00 0.54 N ATOM 281 CA MET A 92 0.514 -6.834 -4.169 1.00 0.67 C ATOM 282 C MET A 92 -0.970 -7.051 -4.356 1.00 0.64 C ATOM 283 O MET A 92 -1.499 -8.091 -3.950 1.00 0.92 O ATOM 284 CB MET A 92 1.236 -7.839 -5.033 1.00 0.88 C ATOM 285 CG MET A 92 2.757 -7.811 -4.916 1.00 1.00 C ATOM 286 SD MET A 92 3.512 -6.364 -5.700 1.00 1.34 S ATOM 287 CE MET A 92 3.335 -5.108 -4.434 1.00 1.05 C ATOM 0 H MET A 92 1.159 -7.978 -2.543 1.00 0.54 H new ATOM 0 HA MET A 92 0.779 -5.815 -4.452 1.00 0.67 H new ATOM 0 HB2 MET A 92 0.885 -8.838 -4.774 1.00 0.88 H new ATOM 0 HB3 MET A 92 0.963 -7.665 -6.074 1.00 0.88 H new ATOM 0 HG2 MET A 92 3.033 -7.829 -3.862 1.00 1.00 H new ATOM 0 HG3 MET A 92 3.166 -8.715 -5.368 1.00 1.00 H new ATOM 0 HE1 MET A 92 4.144 -4.384 -4.524 1.00 1.05 H new ATOM 0 HE2 MET A 92 2.378 -4.600 -4.556 1.00 1.05 H new ATOM 0 HE3 MET A 92 3.374 -5.575 -3.450 1.00 1.05 H new ATOM 297 N LEU A 93 -1.635 -6.060 -4.949 1.00 0.74 N ATOM 298 CA LEU A 93 -3.074 -6.116 -5.232 1.00 0.79 C ATOM 299 C LEU A 93 -3.879 -6.269 -3.947 1.00 1.05 C ATOM 300 O LEU A 93 -5.105 -6.377 -3.980 1.00 1.17 O ATOM 301 CB LEU A 93 -3.414 -7.250 -6.212 1.00 0.75 C ATOM 302 CG LEU A 93 -2.935 -7.046 -7.658 1.00 0.89 C ATOM 303 CD1 LEU A 93 -3.312 -5.659 -8.160 1.00 1.49 C ATOM 304 CD2 LEU A 93 -1.435 -7.273 -7.775 1.00 1.23 C ATOM 0 H LEU A 93 -1.192 -5.192 -5.249 1.00 0.74 H new ATOM 0 HA LEU A 93 -3.347 -5.171 -5.702 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -2.981 -8.176 -5.832 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -4.496 -7.385 -6.222 1.00 0.75 H new ATOM 0 HG LEU A 93 -3.435 -7.784 -8.285 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -2.963 -5.536 -9.185 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -4.395 -5.543 -8.129 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -2.848 -4.904 -7.526 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -1.124 -7.122 -8.809 1.00 1.23 H new ATOM 0 HD22 LEU A 93 -0.909 -6.568 -7.131 1.00 1.23 H new ATOM 0 HD23 LEU A 93 -1.196 -8.292 -7.469 1.00 1.23 H new ATOM 316 N ASP A 94 -3.156 -6.305 -2.828 1.00 1.47 N ATOM 317 CA ASP A 94 -3.747 -6.374 -1.489 1.00 1.97 C ATOM 318 C ASP A 94 -4.238 -7.791 -1.219 1.00 1.17 C ATOM 319 O ASP A 94 -5.063 -8.039 -0.343 1.00 1.38 O ATOM 320 CB ASP A 94 -4.875 -5.340 -1.318 1.00 2.91 C ATOM 321 CG ASP A 94 -5.396 -5.250 0.106 1.00 3.61 C ATOM 322 OD1 ASP A 94 -4.581 -5.055 1.036 1.00 4.21 O ATOM 323 OD2 ASP A 94 -6.627 -5.376 0.302 1.00 3.80 O ATOM 0 H ASP A 94 -2.136 -6.287 -2.824 1.00 1.47 H new ATOM 0 HA ASP A 94 -2.981 -6.126 -0.754 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -4.510 -4.360 -1.627 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -5.699 -5.598 -1.983 1.00 2.91 H new ATOM 328 N GLY A 95 -3.694 -8.729 -1.978 1.00 0.66 N ATOM 329 CA GLY A 95 -4.012 -10.122 -1.773 1.00 1.19 C ATOM 330 C GLY A 95 -2.887 -10.864 -1.082 1.00 1.02 C ATOM 331 O GLY A 95 -3.110 -11.568 -0.098 1.00 1.18 O ATOM 0 H GLY A 95 -3.035 -8.547 -2.735 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -4.920 -10.203 -1.176 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -4.220 -10.592 -2.734 1.00 1.19 H new ATOM 335 N THR A 96 -1.671 -10.696 -1.580 1.00 0.83 N ATOM 336 CA THR A 96 -0.535 -11.422 -1.037 1.00 0.83 C ATOM 337 C THR A 96 0.610 -10.480 -0.667 1.00 0.62 C ATOM 338 O THR A 96 0.870 -9.490 -1.360 1.00 0.62 O ATOM 339 CB THR A 96 -0.035 -12.496 -2.032 1.00 1.12 C ATOM 340 OG1 THR A 96 1.021 -13.270 -1.444 1.00 1.55 O ATOM 341 CG2 THR A 96 0.460 -11.863 -3.325 1.00 1.67 C ATOM 0 H THR A 96 -1.447 -10.069 -2.353 1.00 0.83 H new ATOM 0 HA THR A 96 -0.876 -11.917 -0.128 1.00 0.83 H new ATOM 0 HB THR A 96 -0.877 -13.148 -2.264 1.00 1.12 H new ATOM 0 HG1 THR A 96 1.326 -13.946 -2.084 1.00 1.55 H new ATOM 0 HG21 THR A 96 0.805 -12.643 -4.003 1.00 1.67 H new ATOM 0 HG22 THR A 96 -0.353 -11.308 -3.793 1.00 1.67 H new ATOM 0 HG23 THR A 96 1.283 -11.183 -3.105 1.00 1.67 H new ATOM 349 N VAL A 97 1.267 -10.783 0.444 1.00 0.56 N ATOM 350 CA VAL A 97 2.442 -10.043 0.875 1.00 0.46 C ATOM 351 C VAL A 97 3.704 -10.771 0.427 1.00 0.46 C ATOM 352 O VAL A 97 3.806 -11.991 0.561 1.00 0.57 O ATOM 353 CB VAL A 97 2.473 -9.864 2.411 1.00 0.54 C ATOM 354 CG1 VAL A 97 3.732 -9.127 2.852 1.00 0.69 C ATOM 355 CG2 VAL A 97 1.231 -9.129 2.890 1.00 0.96 C ATOM 0 H VAL A 97 1.001 -11.545 1.068 1.00 0.56 H new ATOM 0 HA VAL A 97 2.397 -9.055 0.418 1.00 0.46 H new ATOM 0 HB VAL A 97 2.486 -10.855 2.864 1.00 0.54 H new ATOM 0 HG11 VAL A 97 3.727 -9.015 3.936 1.00 0.69 H new ATOM 0 HG12 VAL A 97 4.611 -9.696 2.550 1.00 0.69 H new ATOM 0 HG13 VAL A 97 3.759 -8.142 2.386 1.00 0.69 H new ATOM 0 HG21 VAL A 97 1.272 -9.013 3.973 1.00 0.96 H new ATOM 0 HG22 VAL A 97 1.187 -8.146 2.421 1.00 0.96 H new ATOM 0 HG23 VAL A 97 0.343 -9.700 2.619 1.00 0.96 H new ATOM 365 N LYS A 98 4.647 -10.027 -0.121 1.00 0.43 N ATOM 366 CA LYS A 98 5.907 -10.596 -0.559 1.00 0.49 C ATOM 367 C LYS A 98 7.050 -9.986 0.233 1.00 0.45 C ATOM 368 O LYS A 98 7.091 -8.774 0.451 1.00 0.40 O ATOM 369 CB LYS A 98 6.123 -10.332 -2.047 1.00 0.56 C ATOM 370 CG LYS A 98 7.306 -11.075 -2.651 1.00 0.68 C ATOM 371 CD LYS A 98 7.084 -12.578 -2.687 1.00 1.20 C ATOM 372 CE LYS A 98 5.919 -12.954 -3.587 1.00 1.69 C ATOM 373 NZ LYS A 98 5.824 -14.422 -3.775 1.00 1.78 N ATOM 0 H LYS A 98 4.563 -9.022 -0.274 1.00 0.43 H new ATOM 0 HA LYS A 98 5.879 -11.673 -0.391 1.00 0.49 H new ATOM 0 HB2 LYS A 98 5.219 -10.611 -2.588 1.00 0.56 H new ATOM 0 HB3 LYS A 98 6.266 -9.262 -2.197 1.00 0.56 H new ATOM 0 HG2 LYS A 98 7.482 -10.711 -3.663 1.00 0.68 H new ATOM 0 HG3 LYS A 98 8.204 -10.856 -2.073 1.00 0.68 H new ATOM 0 HD2 LYS A 98 7.990 -13.071 -3.040 1.00 1.20 H new ATOM 0 HD3 LYS A 98 6.896 -12.942 -1.677 1.00 1.20 H new ATOM 0 HE2 LYS A 98 4.990 -12.581 -3.155 1.00 1.69 H new ATOM 0 HE3 LYS A 98 6.037 -12.470 -4.556 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 5.018 -14.641 -4.394 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 6.701 -14.774 -4.210 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 5.687 -14.882 -2.852 1.00 1.78 H new ATOM 387 N THR A 99 7.961 -10.826 0.672 1.00 0.52 N ATOM 388 CA THR A 99 9.158 -10.363 1.338 1.00 0.55 C ATOM 389 C THR A 99 10.226 -10.032 0.301 1.00 0.54 C ATOM 390 O THR A 99 10.846 -10.931 -0.274 1.00 0.65 O ATOM 391 CB THR A 99 9.686 -11.438 2.293 1.00 0.69 C ATOM 392 OG1 THR A 99 8.628 -11.873 3.159 1.00 0.78 O ATOM 393 CG2 THR A 99 10.851 -10.918 3.122 1.00 0.76 C ATOM 0 H THR A 99 7.895 -11.840 0.579 1.00 0.52 H new ATOM 0 HA THR A 99 8.917 -9.469 1.913 1.00 0.55 H new ATOM 0 HB THR A 99 10.045 -12.278 1.698 1.00 0.69 H new ATOM 0 HG1 THR A 99 8.966 -12.562 3.768 1.00 0.78 H new ATOM 0 HG21 THR A 99 11.203 -11.705 3.789 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.662 -10.615 2.460 1.00 0.76 H new ATOM 0 HG23 THR A 99 10.524 -10.061 3.712 1.00 0.76 H new ATOM 401 N ILE A 100 10.418 -8.749 0.044 1.00 0.47 N ATOM 402 CA ILE A 100 11.367 -8.314 -0.968 1.00 0.51 C ATOM 403 C ILE A 100 12.534 -7.568 -0.334 1.00 0.53 C ATOM 404 O ILE A 100 12.358 -6.822 0.635 1.00 0.55 O ATOM 405 CB ILE A 100 10.676 -7.446 -2.045 1.00 0.55 C ATOM 406 CG1 ILE A 100 9.722 -8.328 -2.857 1.00 0.62 C ATOM 407 CG2 ILE A 100 11.692 -6.760 -2.953 1.00 0.63 C ATOM 408 CD1 ILE A 100 9.111 -7.643 -4.055 1.00 1.06 C ATOM 0 H ILE A 100 9.930 -7.991 0.521 1.00 0.47 H new ATOM 0 HA ILE A 100 11.761 -9.203 -1.460 1.00 0.51 H new ATOM 0 HB ILE A 100 10.112 -6.655 -1.552 1.00 0.55 H new ATOM 0 HG12 ILE A 100 10.262 -9.212 -3.195 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.921 -8.674 -2.204 1.00 0.62 H new ATOM 0 HG21 ILE A 100 11.168 -6.159 -3.697 1.00 0.63 H new ATOM 0 HG22 ILE A 100 12.337 -6.116 -2.356 1.00 0.63 H new ATOM 0 HG23 ILE A 100 12.297 -7.514 -3.456 1.00 0.63 H new ATOM 0 HD11 ILE A 100 8.450 -8.337 -4.573 1.00 1.06 H new ATOM 0 HD12 ILE A 100 8.540 -6.775 -3.726 1.00 1.06 H new ATOM 0 HD13 ILE A 100 9.902 -7.321 -4.733 1.00 1.06 H new ATOM 420 N MET A 101 13.724 -7.807 -0.868 1.00 0.61 N ATOM 421 CA MET A 101 14.935 -7.172 -0.377 1.00 0.68 C ATOM 422 C MET A 101 14.964 -5.713 -0.815 1.00 0.76 C ATOM 423 O MET A 101 14.958 -5.411 -2.010 1.00 0.88 O ATOM 424 CB MET A 101 16.166 -7.900 -0.925 1.00 0.79 C ATOM 425 CG MET A 101 17.356 -7.944 0.027 1.00 1.18 C ATOM 426 SD MET A 101 17.911 -6.321 0.588 1.00 1.64 S ATOM 427 CE MET A 101 18.256 -5.503 -0.971 1.00 1.04 C ATOM 0 H MET A 101 13.875 -8.444 -1.650 1.00 0.61 H new ATOM 0 HA MET A 101 14.947 -7.222 0.712 1.00 0.68 H new ATOM 0 HB2 MET A 101 15.884 -8.922 -1.180 1.00 0.79 H new ATOM 0 HB3 MET A 101 16.476 -7.415 -1.851 1.00 0.79 H new ATOM 0 HG2 MET A 101 17.090 -8.546 0.896 1.00 1.18 H new ATOM 0 HG3 MET A 101 18.186 -8.449 -0.468 1.00 1.18 H new ATOM 0 HE1 MET A 101 19.164 -4.908 -0.877 1.00 1.04 H new ATOM 0 HE2 MET A 101 18.392 -6.251 -1.752 1.00 1.04 H new ATOM 0 HE3 MET A 101 17.422 -4.852 -1.233 1.00 1.04 H new ATOM 437 N VAL A 102 14.990 -4.820 0.152 1.00 0.79 N ATOM 438 CA VAL A 102 15.026 -3.394 -0.115 1.00 0.95 C ATOM 439 C VAL A 102 16.382 -2.826 0.258 1.00 1.08 C ATOM 440 O VAL A 102 17.011 -3.285 1.201 1.00 1.09 O ATOM 441 CB VAL A 102 13.953 -2.652 0.702 1.00 1.00 C ATOM 442 CG1 VAL A 102 13.947 -1.161 0.412 1.00 1.51 C ATOM 443 CG2 VAL A 102 12.581 -3.252 0.465 1.00 1.14 C ATOM 0 H VAL A 102 14.987 -5.059 1.144 1.00 0.79 H new ATOM 0 HA VAL A 102 14.835 -3.254 -1.179 1.00 0.95 H new ATOM 0 HB VAL A 102 14.207 -2.776 1.755 1.00 1.00 H new ATOM 0 HG11 VAL A 102 13.175 -0.677 1.010 1.00 1.51 H new ATOM 0 HG12 VAL A 102 14.919 -0.737 0.664 1.00 1.51 H new ATOM 0 HG13 VAL A 102 13.743 -0.997 -0.646 1.00 1.51 H new ATOM 0 HG21 VAL A 102 11.840 -2.710 1.053 1.00 1.14 H new ATOM 0 HG22 VAL A 102 12.329 -3.178 -0.593 1.00 1.14 H new ATOM 0 HG23 VAL A 102 12.586 -4.300 0.764 1.00 1.14 H new ATOM 453 N ASP A 103 16.823 -1.840 -0.493 1.00 1.23 N ATOM 454 CA ASP A 103 18.050 -1.120 -0.176 1.00 1.37 C ATOM 455 C ASP A 103 17.924 0.320 -0.626 1.00 1.31 C ATOM 456 O ASP A 103 18.558 1.224 -0.080 1.00 2.05 O ATOM 457 CB ASP A 103 19.254 -1.801 -0.832 1.00 1.53 C ATOM 458 CG ASP A 103 20.548 -1.020 -0.676 1.00 1.82 C ATOM 459 OD1 ASP A 103 21.052 -0.915 0.458 1.00 1.99 O ATOM 460 OD2 ASP A 103 21.082 -0.535 -1.695 1.00 2.12 O ATOM 0 H ASP A 103 16.350 -1.512 -1.335 1.00 1.23 H new ATOM 0 HA ASP A 103 18.208 -1.134 0.902 1.00 1.37 H new ATOM 0 HB2 ASP A 103 19.382 -2.793 -0.398 1.00 1.53 H new ATOM 0 HB3 ASP A 103 19.049 -1.942 -1.893 1.00 1.53 H new ATOM 465 N ASP A 104 17.057 0.502 -1.606 1.00 0.88 N ATOM 466 CA ASP A 104 16.746 1.811 -2.192 1.00 1.00 C ATOM 467 C ASP A 104 17.944 2.371 -2.956 1.00 1.19 C ATOM 468 O ASP A 104 19.079 1.930 -2.776 1.00 1.92 O ATOM 469 CB ASP A 104 16.279 2.804 -1.116 1.00 1.84 C ATOM 470 CG ASP A 104 15.793 4.118 -1.700 1.00 2.59 C ATOM 471 OD1 ASP A 104 14.653 4.172 -2.204 1.00 2.95 O ATOM 472 OD2 ASP A 104 16.552 5.104 -1.658 1.00 3.23 O ATOM 0 H ASP A 104 16.535 -0.265 -2.031 1.00 0.88 H new ATOM 0 HA ASP A 104 15.929 1.668 -2.899 1.00 1.00 H new ATOM 0 HB2 ASP A 104 15.476 2.351 -0.534 1.00 1.84 H new ATOM 0 HB3 ASP A 104 17.101 3.000 -0.427 1.00 1.84 H new ATOM 477 N SER A 105 17.687 3.324 -3.835 1.00 1.46 N ATOM 478 CA SER A 105 18.745 3.942 -4.615 1.00 2.15 C ATOM 479 C SER A 105 18.359 5.365 -5.005 1.00 1.93 C ATOM 480 O SER A 105 19.183 6.279 -4.950 1.00 2.30 O ATOM 481 CB SER A 105 19.046 3.106 -5.862 1.00 2.94 C ATOM 482 OG SER A 105 19.453 1.791 -5.505 1.00 3.13 O ATOM 0 H SER A 105 16.753 3.687 -4.027 1.00 1.46 H new ATOM 0 HA SER A 105 19.646 3.986 -4.003 1.00 2.15 H new ATOM 0 HB2 SER A 105 18.160 3.058 -6.495 1.00 2.94 H new ATOM 0 HB3 SER A 105 19.830 3.587 -6.447 1.00 2.94 H new ATOM 0 HG SER A 105 19.638 1.274 -6.317 1.00 3.13 H new ATOM 488 N LYS A 106 17.102 5.557 -5.384 1.00 1.65 N ATOM 489 CA LYS A 106 16.622 6.878 -5.755 1.00 1.78 C ATOM 490 C LYS A 106 15.113 6.976 -5.577 1.00 1.42 C ATOM 491 O LYS A 106 14.351 6.683 -6.500 1.00 2.04 O ATOM 492 CB LYS A 106 17.015 7.207 -7.198 1.00 2.36 C ATOM 493 CG LYS A 106 16.686 8.631 -7.616 1.00 2.91 C ATOM 494 CD LYS A 106 17.222 8.937 -9.004 1.00 3.40 C ATOM 495 CE LYS A 106 16.979 10.387 -9.390 1.00 4.35 C ATOM 496 NZ LYS A 106 17.644 10.737 -10.671 1.00 4.92 N ATOM 0 H LYS A 106 16.401 4.818 -5.442 1.00 1.65 H new ATOM 0 HA LYS A 106 17.090 7.607 -5.094 1.00 1.78 H new ATOM 0 HB2 LYS A 106 18.085 7.041 -7.320 1.00 2.36 H new ATOM 0 HB3 LYS A 106 16.507 6.515 -7.870 1.00 2.36 H new ATOM 0 HG2 LYS A 106 15.606 8.776 -7.601 1.00 2.91 H new ATOM 0 HG3 LYS A 106 17.112 9.331 -6.897 1.00 2.91 H new ATOM 0 HD2 LYS A 106 18.291 8.725 -9.037 1.00 3.40 H new ATOM 0 HD3 LYS A 106 16.745 8.281 -9.732 1.00 3.40 H new ATOM 0 HE2 LYS A 106 15.907 10.565 -9.477 1.00 4.35 H new ATOM 0 HE3 LYS A 106 17.348 11.040 -8.599 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 17.455 11.734 -10.900 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 18.670 10.591 -10.581 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 17.274 10.131 -11.431 1.00 4.92 H new ATOM 510 N THR A 107 14.703 7.357 -4.369 1.00 1.10 N ATOM 511 CA THR A 107 13.297 7.592 -4.022 1.00 0.79 C ATOM 512 C THR A 107 12.422 6.356 -4.257 1.00 0.61 C ATOM 513 O THR A 107 12.913 5.275 -4.597 1.00 0.63 O ATOM 514 CB THR A 107 12.699 8.800 -4.792 1.00 0.92 C ATOM 515 OG1 THR A 107 12.541 8.493 -6.182 1.00 1.28 O ATOM 516 CG2 THR A 107 13.587 10.027 -4.652 1.00 1.08 C ATOM 0 H THR A 107 15.344 7.514 -3.591 1.00 1.10 H new ATOM 0 HA THR A 107 13.294 7.819 -2.956 1.00 0.79 H new ATOM 0 HB THR A 107 11.722 9.011 -4.357 1.00 0.92 H new ATOM 0 HG1 THR A 107 12.892 7.596 -6.361 1.00 1.28 H new ATOM 0 HG21 THR A 107 13.146 10.860 -5.200 1.00 1.08 H new ATOM 0 HG22 THR A 107 13.677 10.293 -3.599 1.00 1.08 H new ATOM 0 HG23 THR A 107 14.575 9.809 -5.056 1.00 1.08 H new ATOM 524 N VAL A 108 11.120 6.529 -4.062 1.00 0.57 N ATOM 525 CA VAL A 108 10.154 5.458 -4.274 1.00 0.44 C ATOM 526 C VAL A 108 10.173 4.985 -5.729 1.00 0.41 C ATOM 527 O VAL A 108 9.890 3.821 -6.014 1.00 0.40 O ATOM 528 CB VAL A 108 8.724 5.918 -3.878 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.667 4.924 -4.330 1.00 0.35 C ATOM 530 CG2 VAL A 108 8.627 6.119 -2.373 1.00 0.56 C ATOM 0 H VAL A 108 10.706 7.409 -3.755 1.00 0.57 H new ATOM 0 HA VAL A 108 10.439 4.621 -3.636 1.00 0.44 H new ATOM 0 HB VAL A 108 8.537 6.865 -4.384 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.681 5.282 -4.034 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.705 4.820 -5.414 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.856 3.956 -3.866 1.00 0.35 H new ATOM 0 HG21 VAL A 108 7.619 6.441 -2.113 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.850 5.181 -1.865 1.00 0.56 H new ATOM 0 HG23 VAL A 108 9.343 6.880 -2.061 1.00 0.56 H new ATOM 540 N THR A 109 10.535 5.884 -6.644 1.00 0.46 N ATOM 541 CA THR A 109 10.546 5.564 -8.063 1.00 0.53 C ATOM 542 C THR A 109 11.470 4.382 -8.368 1.00 0.56 C ATOM 543 O THR A 109 11.094 3.481 -9.114 1.00 0.63 O ATOM 544 CB THR A 109 10.919 6.800 -8.929 1.00 0.67 C ATOM 545 OG1 THR A 109 10.452 6.620 -10.270 1.00 1.39 O ATOM 546 CG2 THR A 109 12.417 7.067 -8.960 1.00 1.15 C ATOM 0 H THR A 109 10.823 6.837 -6.424 1.00 0.46 H new ATOM 0 HA THR A 109 9.531 5.269 -8.329 1.00 0.53 H new ATOM 0 HB THR A 109 10.436 7.661 -8.467 1.00 0.67 H new ATOM 0 HG1 THR A 109 10.690 7.404 -10.807 1.00 1.39 H new ATOM 0 HG21 THR A 109 12.618 7.941 -9.579 1.00 1.15 H new ATOM 0 HG22 THR A 109 12.775 7.250 -7.947 1.00 1.15 H new ATOM 0 HG23 THR A 109 12.932 6.201 -9.376 1.00 1.15 H new ATOM 554 N ASP A 110 12.653 4.359 -7.761 1.00 0.60 N ATOM 555 CA ASP A 110 13.609 3.286 -8.009 1.00 0.68 C ATOM 556 C ASP A 110 13.215 2.033 -7.242 1.00 0.58 C ATOM 557 O ASP A 110 13.191 0.934 -7.800 1.00 0.60 O ATOM 558 CB ASP A 110 15.027 3.713 -7.618 1.00 0.87 C ATOM 559 CG ASP A 110 16.070 2.675 -7.989 1.00 1.58 C ATOM 560 OD1 ASP A 110 16.304 1.747 -7.188 1.00 2.48 O ATOM 561 OD2 ASP A 110 16.671 2.794 -9.080 1.00 1.72 O ATOM 0 H ASP A 110 12.971 5.066 -7.098 1.00 0.60 H new ATOM 0 HA ASP A 110 13.596 3.067 -9.077 1.00 0.68 H new ATOM 0 HB2 ASP A 110 15.267 4.656 -8.109 1.00 0.87 H new ATOM 0 HB3 ASP A 110 15.065 3.894 -6.544 1.00 0.87 H new ATOM 566 N MET A 111 12.889 2.216 -5.969 1.00 0.54 N ATOM 567 CA MET A 111 12.533 1.106 -5.093 1.00 0.51 C ATOM 568 C MET A 111 11.354 0.313 -5.653 1.00 0.42 C ATOM 569 O MET A 111 11.443 -0.901 -5.841 1.00 0.46 O ATOM 570 CB MET A 111 12.184 1.626 -3.694 1.00 0.53 C ATOM 571 CG MET A 111 11.843 0.527 -2.696 1.00 0.59 C ATOM 572 SD MET A 111 11.178 1.170 -1.146 1.00 0.71 S ATOM 573 CE MET A 111 12.544 2.177 -0.573 1.00 0.82 C ATOM 0 H MET A 111 12.864 3.130 -5.517 1.00 0.54 H new ATOM 0 HA MET A 111 13.395 0.442 -5.031 1.00 0.51 H new ATOM 0 HB2 MET A 111 13.026 2.203 -3.311 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.338 2.309 -3.771 1.00 0.53 H new ATOM 0 HG2 MET A 111 11.117 -0.151 -3.144 1.00 0.59 H new ATOM 0 HG3 MET A 111 12.739 -0.058 -2.487 1.00 0.59 H new ATOM 0 HE1 MET A 111 12.724 1.979 0.484 1.00 0.82 H new ATOM 0 HE2 MET A 111 13.440 1.935 -1.145 1.00 0.82 H new ATOM 0 HE3 MET A 111 12.301 3.231 -0.709 1.00 0.82 H new ATOM 583 N LEU A 112 10.266 1.011 -5.948 1.00 0.36 N ATOM 584 CA LEU A 112 9.024 0.362 -6.349 1.00 0.34 C ATOM 585 C LEU A 112 9.128 -0.307 -7.713 1.00 0.38 C ATOM 586 O LEU A 112 8.683 -1.442 -7.873 1.00 0.37 O ATOM 587 CB LEU A 112 7.861 1.354 -6.323 1.00 0.34 C ATOM 588 CG LEU A 112 7.002 1.294 -5.056 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.310 -0.056 -4.952 1.00 0.79 C ATOM 590 CD2 LEU A 112 7.843 1.548 -3.814 1.00 0.45 C ATOM 0 H LEU A 112 10.218 2.029 -5.917 1.00 0.36 H new ATOM 0 HA LEU A 112 8.832 -0.427 -5.622 1.00 0.34 H new ATOM 0 HB2 LEU A 112 8.259 2.363 -6.429 1.00 0.34 H new ATOM 0 HB3 LEU A 112 7.224 1.170 -7.188 1.00 0.34 H new ATOM 0 HG LEU A 112 6.246 2.077 -5.122 1.00 0.42 H new ATOM 0 HD11 LEU A 112 5.703 -0.085 -4.047 1.00 0.79 H new ATOM 0 HD12 LEU A 112 5.671 -0.205 -5.822 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.059 -0.847 -4.912 1.00 0.79 H new ATOM 0 HD21 LEU A 112 7.209 1.500 -2.929 1.00 0.45 H new ATOM 0 HD22 LEU A 112 8.624 0.791 -3.742 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.300 2.536 -3.880 1.00 0.45 H new ATOM 602 N MET A 113 9.730 0.371 -8.689 1.00 0.44 N ATOM 603 CA MET A 113 9.865 -0.208 -10.027 1.00 0.50 C ATOM 604 C MET A 113 10.755 -1.447 -9.978 1.00 0.50 C ATOM 605 O MET A 113 10.677 -2.313 -10.848 1.00 0.54 O ATOM 606 CB MET A 113 10.411 0.804 -11.041 1.00 0.60 C ATOM 607 CG MET A 113 11.868 1.180 -10.840 1.00 0.64 C ATOM 608 SD MET A 113 12.457 2.324 -12.103 1.00 1.07 S ATOM 609 CE MET A 113 14.098 2.691 -11.491 1.00 2.09 C ATOM 0 H MET A 113 10.126 1.305 -8.584 1.00 0.44 H new ATOM 0 HA MET A 113 8.868 -0.495 -10.362 1.00 0.50 H new ATOM 0 HB2 MET A 113 10.291 0.394 -12.044 1.00 0.60 H new ATOM 0 HB3 MET A 113 9.806 1.709 -10.992 1.00 0.60 H new ATOM 0 HG2 MET A 113 11.992 1.632 -9.856 1.00 0.64 H new ATOM 0 HG3 MET A 113 12.480 0.278 -10.856 1.00 0.64 H new ATOM 0 HE1 MET A 113 14.809 2.666 -12.317 1.00 2.09 H new ATOM 0 HE2 MET A 113 14.104 3.682 -11.037 1.00 2.09 H new ATOM 0 HE3 MET A 113 14.382 1.949 -10.745 1.00 2.09 H new ATOM 619 N THR A 114 11.617 -1.511 -8.972 1.00 0.47 N ATOM 620 CA THR A 114 12.400 -2.708 -8.718 1.00 0.48 C ATOM 621 C THR A 114 11.500 -3.797 -8.131 1.00 0.41 C ATOM 622 O THR A 114 11.415 -4.899 -8.665 1.00 0.42 O ATOM 623 CB THR A 114 13.567 -2.412 -7.753 1.00 0.54 C ATOM 624 OG1 THR A 114 14.410 -1.391 -8.306 1.00 0.65 O ATOM 625 CG2 THR A 114 14.392 -3.662 -7.482 1.00 0.54 C ATOM 0 H THR A 114 11.790 -0.746 -8.319 1.00 0.47 H new ATOM 0 HA THR A 114 12.820 -3.052 -9.663 1.00 0.48 H new ATOM 0 HB THR A 114 13.144 -2.070 -6.809 1.00 0.54 H new ATOM 0 HG1 THR A 114 13.925 -0.540 -8.322 1.00 0.65 H new ATOM 0 HG21 THR A 114 15.206 -3.420 -6.799 1.00 0.54 H new ATOM 0 HG22 THR A 114 13.758 -4.427 -7.034 1.00 0.54 H new ATOM 0 HG23 THR A 114 14.804 -4.036 -8.419 1.00 0.54 H new ATOM 633 N ILE A 115 10.811 -3.451 -7.046 1.00 0.36 N ATOM 634 CA ILE A 115 9.886 -4.349 -6.358 1.00 0.35 C ATOM 635 C ILE A 115 8.885 -4.990 -7.320 1.00 0.34 C ATOM 636 O ILE A 115 8.739 -6.213 -7.349 1.00 0.36 O ATOM 637 CB ILE A 115 9.121 -3.590 -5.246 1.00 0.36 C ATOM 638 CG1 ILE A 115 10.085 -3.180 -4.126 1.00 0.40 C ATOM 639 CG2 ILE A 115 7.976 -4.428 -4.693 1.00 0.40 C ATOM 640 CD1 ILE A 115 9.432 -2.366 -3.027 1.00 0.43 C ATOM 0 H ILE A 115 10.880 -2.529 -6.615 1.00 0.36 H new ATOM 0 HA ILE A 115 10.485 -5.145 -5.915 1.00 0.35 H new ATOM 0 HB ILE A 115 8.689 -2.690 -5.683 1.00 0.36 H new ATOM 0 HG12 ILE A 115 10.523 -4.077 -3.690 1.00 0.40 H new ATOM 0 HG13 ILE A 115 10.903 -2.603 -4.556 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.458 -3.868 -3.914 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.277 -4.664 -5.496 1.00 0.40 H new ATOM 0 HG23 ILE A 115 8.372 -5.353 -4.273 1.00 0.40 H new ATOM 0 HD11 ILE A 115 10.175 -2.113 -2.271 1.00 0.43 H new ATOM 0 HD12 ILE A 115 9.018 -1.450 -3.449 1.00 0.43 H new ATOM 0 HD13 ILE A 115 8.632 -2.948 -2.569 1.00 0.43 H new ATOM 652 N CYS A 116 8.211 -4.173 -8.117 1.00 0.37 N ATOM 653 CA CYS A 116 7.187 -4.679 -9.020 1.00 0.44 C ATOM 654 C CYS A 116 7.806 -5.543 -10.122 1.00 0.45 C ATOM 655 O CYS A 116 7.169 -6.466 -10.634 1.00 0.51 O ATOM 656 CB CYS A 116 6.392 -3.521 -9.625 1.00 0.55 C ATOM 657 SG CYS A 116 7.363 -2.420 -10.675 1.00 1.30 S ATOM 0 H CYS A 116 8.353 -3.164 -8.157 1.00 0.37 H new ATOM 0 HA CYS A 116 6.505 -5.306 -8.445 1.00 0.44 H new ATOM 0 HB2 CYS A 116 5.568 -3.929 -10.210 1.00 0.55 H new ATOM 0 HB3 CYS A 116 5.951 -2.937 -8.817 1.00 0.55 H new ATOM 0 HG CYS A 116 7.068 -1.185 -10.399 1.00 1.30 H new ATOM 663 N ALA A 117 9.054 -5.254 -10.471 1.00 0.45 N ATOM 664 CA ALA A 117 9.768 -6.030 -11.475 1.00 0.50 C ATOM 665 C ALA A 117 10.184 -7.385 -10.917 1.00 0.45 C ATOM 666 O ALA A 117 10.333 -8.350 -11.662 1.00 0.51 O ATOM 667 CB ALA A 117 10.983 -5.269 -11.977 1.00 0.58 C ATOM 0 H ALA A 117 9.593 -4.486 -10.072 1.00 0.45 H new ATOM 0 HA ALA A 117 9.094 -6.197 -12.315 1.00 0.50 H new ATOM 0 HB1 ALA A 117 11.502 -5.866 -12.726 1.00 0.58 H new ATOM 0 HB2 ALA A 117 10.664 -4.326 -12.422 1.00 0.58 H new ATOM 0 HB3 ALA A 117 11.656 -5.067 -11.144 1.00 0.58 H new ATOM 673 N ARG A 118 10.362 -7.449 -9.600 1.00 0.41 N ATOM 674 CA ARG A 118 10.804 -8.676 -8.946 1.00 0.45 C ATOM 675 C ARG A 118 9.788 -9.797 -9.142 1.00 0.51 C ATOM 676 O ARG A 118 10.153 -10.969 -9.224 1.00 0.62 O ATOM 677 CB ARG A 118 11.043 -8.452 -7.447 1.00 0.47 C ATOM 678 CG ARG A 118 12.069 -7.371 -7.125 1.00 0.46 C ATOM 679 CD ARG A 118 13.329 -7.508 -7.969 1.00 0.53 C ATOM 680 NE ARG A 118 14.000 -8.797 -7.783 1.00 1.33 N ATOM 681 CZ ARG A 118 15.265 -9.031 -8.137 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.992 -8.068 -8.699 1.00 1.63 N ATOM 683 NH2 ARG A 118 15.801 -10.228 -7.937 1.00 2.63 N ATOM 0 H ARG A 118 10.207 -6.666 -8.966 1.00 0.41 H new ATOM 0 HA ARG A 118 11.746 -8.968 -9.410 1.00 0.45 H new ATOM 0 HB2 ARG A 118 10.096 -8.188 -6.976 1.00 0.47 H new ATOM 0 HB3 ARG A 118 11.370 -9.391 -7.000 1.00 0.47 H new ATOM 0 HG2 ARG A 118 11.626 -6.389 -7.293 1.00 0.46 H new ATOM 0 HG3 ARG A 118 12.333 -7.425 -6.069 1.00 0.46 H new ATOM 0 HD2 ARG A 118 13.071 -7.386 -9.021 1.00 0.53 H new ATOM 0 HD3 ARG A 118 14.020 -6.704 -7.715 1.00 0.53 H new ATOM 0 HE ARG A 118 13.470 -9.559 -7.359 1.00 1.33 H new ATOM 0 HH11 ARG A 118 15.582 -7.148 -8.860 1.00 1.63 H new ATOM 0 HH12 ARG A 118 16.959 -8.250 -8.968 1.00 1.63 H new ATOM 0 HH21 ARG A 118 15.246 -10.971 -7.512 1.00 2.63 H new ATOM 0 HH22 ARG A 118 16.768 -10.405 -8.208 1.00 2.63 H new ATOM 697 N ILE A 119 8.514 -9.439 -9.218 1.00 0.53 N ATOM 698 CA ILE A 119 7.469 -10.429 -9.440 1.00 0.68 C ATOM 699 C ILE A 119 7.000 -10.416 -10.894 1.00 0.67 C ATOM 700 O ILE A 119 6.529 -11.429 -11.411 1.00 0.91 O ATOM 701 CB ILE A 119 6.260 -10.216 -8.504 1.00 0.80 C ATOM 702 CG1 ILE A 119 5.568 -8.886 -8.803 1.00 0.80 C ATOM 703 CG2 ILE A 119 6.707 -10.264 -7.050 1.00 0.80 C ATOM 704 CD1 ILE A 119 4.270 -8.704 -8.052 1.00 1.05 C ATOM 0 H ILE A 119 8.181 -8.479 -9.130 1.00 0.53 H new ATOM 0 HA ILE A 119 7.907 -11.401 -9.213 1.00 0.68 H new ATOM 0 HB ILE A 119 5.544 -11.019 -8.680 1.00 0.80 H new ATOM 0 HG12 ILE A 119 6.243 -8.069 -8.550 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.373 -8.819 -9.873 1.00 0.80 H new ATOM 0 HG21 ILE A 119 5.846 -10.113 -6.399 1.00 0.80 H new ATOM 0 HG22 ILE A 119 7.155 -11.235 -6.839 1.00 0.80 H new ATOM 0 HG23 ILE A 119 7.441 -9.479 -6.869 1.00 0.80 H new ATOM 0 HD11 ILE A 119 3.832 -7.740 -8.311 1.00 1.05 H new ATOM 0 HD12 ILE A 119 3.578 -9.501 -8.323 1.00 1.05 H new ATOM 0 HD13 ILE A 119 4.462 -8.739 -6.980 1.00 1.05 H new ATOM 716 N GLY A 120 7.129 -9.268 -11.552 1.00 0.54 N ATOM 717 CA GLY A 120 6.782 -9.179 -12.959 1.00 0.58 C ATOM 718 C GLY A 120 5.515 -8.384 -13.211 1.00 0.67 C ATOM 719 O GLY A 120 4.581 -8.879 -13.842 1.00 1.03 O ATOM 0 H GLY A 120 7.467 -8.400 -11.137 1.00 0.54 H new ATOM 0 HA2 GLY A 120 7.607 -8.718 -13.502 1.00 0.58 H new ATOM 0 HA3 GLY A 120 6.659 -10.185 -13.361 1.00 0.58 H new ATOM 723 N ILE A 121 5.470 -7.155 -12.715 1.00 0.55 N ATOM 724 CA ILE A 121 4.347 -6.267 -12.987 1.00 0.63 C ATOM 725 C ILE A 121 4.763 -5.146 -13.938 1.00 0.83 C ATOM 726 O ILE A 121 4.448 -5.196 -15.127 1.00 1.29 O ATOM 727 CB ILE A 121 3.750 -5.670 -11.687 1.00 0.53 C ATOM 728 CG1 ILE A 121 3.008 -6.750 -10.895 1.00 0.73 C ATOM 729 CG2 ILE A 121 2.821 -4.496 -11.990 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.345 -6.234 -9.634 1.00 0.60 C ATOM 0 H ILE A 121 6.196 -6.751 -12.124 1.00 0.55 H new ATOM 0 HA ILE A 121 3.571 -6.868 -13.462 1.00 0.63 H new ATOM 0 HB ILE A 121 4.575 -5.295 -11.081 1.00 0.53 H new ATOM 0 HG12 ILE A 121 2.250 -7.201 -11.535 1.00 0.73 H new ATOM 0 HG13 ILE A 121 3.711 -7.540 -10.628 1.00 0.73 H new ATOM 0 HG21 ILE A 121 2.419 -4.100 -11.057 1.00 0.64 H new ATOM 0 HG22 ILE A 121 3.379 -3.714 -12.506 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.001 -4.835 -12.624 1.00 0.64 H new ATOM 0 HD11 ILE A 121 1.839 -7.056 -9.126 1.00 0.60 H new ATOM 0 HD12 ILE A 121 3.101 -5.809 -8.973 1.00 0.60 H new ATOM 0 HD13 ILE A 121 1.617 -5.465 -9.894 1.00 0.60 H new ATOM 742 N THR A 122 5.496 -4.160 -13.415 1.00 1.51 N ATOM 743 CA THR A 122 5.880 -2.972 -14.176 1.00 1.86 C ATOM 744 C THR A 122 4.640 -2.170 -14.595 1.00 1.60 C ATOM 745 O THR A 122 4.296 -1.183 -13.950 1.00 1.93 O ATOM 746 CB THR A 122 6.730 -3.333 -15.412 1.00 2.48 C ATOM 747 OG1 THR A 122 7.827 -4.168 -15.013 1.00 2.82 O ATOM 748 CG2 THR A 122 7.266 -2.080 -16.091 1.00 2.94 C ATOM 0 H THR A 122 5.839 -4.164 -12.454 1.00 1.51 H new ATOM 0 HA THR A 122 6.494 -2.353 -13.522 1.00 1.86 H new ATOM 0 HB THR A 122 6.096 -3.865 -16.121 1.00 2.48 H new ATOM 0 HG1 THR A 122 8.365 -4.398 -15.799 1.00 2.82 H new ATOM 0 HG21 THR A 122 7.862 -2.363 -16.959 1.00 2.94 H new ATOM 0 HG22 THR A 122 6.432 -1.455 -16.411 1.00 2.94 H new ATOM 0 HG23 THR A 122 7.888 -1.524 -15.390 1.00 2.94 H new ATOM 756 N ASN A 123 3.980 -2.596 -15.678 1.00 1.70 N ATOM 757 CA ASN A 123 2.685 -2.033 -16.092 1.00 1.62 C ATOM 758 C ASN A 123 2.769 -0.526 -16.341 1.00 1.70 C ATOM 759 O ASN A 123 1.744 0.153 -16.363 1.00 2.45 O ATOM 760 CB ASN A 123 1.631 -2.328 -15.015 1.00 2.23 C ATOM 761 CG ASN A 123 0.243 -2.569 -15.583 1.00 2.56 C ATOM 762 OD1 ASN A 123 -0.121 -3.704 -15.892 1.00 3.04 O ATOM 763 ND2 ASN A 123 -0.542 -1.515 -15.728 1.00 2.99 N ATOM 0 H ASN A 123 4.324 -3.336 -16.290 1.00 1.70 H new ATOM 0 HA ASN A 123 2.400 -2.504 -17.033 1.00 1.62 H new ATOM 0 HB2 ASN A 123 1.940 -3.204 -14.445 1.00 2.23 H new ATOM 0 HB3 ASN A 123 1.590 -1.491 -14.317 1.00 2.23 H new ATOM 0 HD21 ASN A 123 -1.482 -1.628 -16.106 1.00 2.99 H new ATOM 0 HD22 ASN A 123 -0.207 -0.589 -15.461 1.00 2.99 H new ATOM 770 N HIS A 124 3.994 -0.023 -16.546 1.00 1.79 N ATOM 771 CA HIS A 124 4.263 1.417 -16.719 1.00 2.42 C ATOM 772 C HIS A 124 3.906 2.193 -15.453 1.00 1.95 C ATOM 773 O HIS A 124 4.774 2.642 -14.707 1.00 2.58 O ATOM 774 CB HIS A 124 3.479 2.021 -17.894 1.00 3.50 C ATOM 775 CG HIS A 124 3.655 1.321 -19.202 1.00 4.50 C ATOM 776 ND1 HIS A 124 2.593 0.913 -19.974 1.00 5.27 N ATOM 777 CD2 HIS A 124 4.769 0.975 -19.885 1.00 5.23 C ATOM 778 CE1 HIS A 124 3.043 0.347 -21.074 1.00 6.25 C ATOM 779 NE2 HIS A 124 4.362 0.371 -21.048 1.00 6.24 N ATOM 0 H HIS A 124 4.831 -0.603 -16.597 1.00 1.79 H new ATOM 0 HA HIS A 124 5.329 1.503 -16.928 1.00 2.42 H new ATOM 0 HB2 HIS A 124 2.419 2.022 -17.640 1.00 3.50 H new ATOM 0 HB3 HIS A 124 3.779 3.062 -18.014 1.00 3.50 H new ATOM 0 HD2 HIS A 124 5.789 1.143 -19.573 1.00 5.23 H new ATOM 0 HE1 HIS A 124 2.435 -0.067 -21.865 1.00 6.25 H new ATOM 0 HE2 HIS A 124 4.977 0.002 -21.773 1.00 6.24 H new ATOM 788 N ASP A 125 2.612 2.333 -15.237 1.00 1.36 N ATOM 789 CA ASP A 125 2.063 3.092 -14.125 1.00 1.73 C ATOM 790 C ASP A 125 2.008 2.244 -12.862 1.00 1.67 C ATOM 791 O ASP A 125 1.801 2.771 -11.769 1.00 1.95 O ATOM 792 CB ASP A 125 0.648 3.545 -14.481 1.00 2.22 C ATOM 793 CG ASP A 125 0.607 4.535 -15.630 1.00 3.00 C ATOM 794 OD1 ASP A 125 1.055 4.180 -16.739 1.00 3.57 O ATOM 795 OD2 ASP A 125 0.157 5.683 -15.421 1.00 3.47 O ATOM 0 H ASP A 125 1.900 1.917 -15.837 1.00 1.36 H new ATOM 0 HA ASP A 125 2.706 3.953 -13.940 1.00 1.73 H new ATOM 0 HB2 ASP A 125 0.049 2.672 -14.741 1.00 2.22 H new ATOM 0 HB3 ASP A 125 0.187 3.998 -13.603 1.00 2.22 H new ATOM 800 N GLU A 126 2.202 0.932 -13.043 1.00 1.58 N ATOM 801 CA GLU A 126 2.041 -0.074 -11.989 1.00 1.86 C ATOM 802 C GLU A 126 0.874 0.244 -11.057 1.00 1.36 C ATOM 803 O GLU A 126 1.017 0.244 -9.837 1.00 1.70 O ATOM 804 CB GLU A 126 3.340 -0.292 -11.202 1.00 2.55 C ATOM 805 CG GLU A 126 3.879 0.945 -10.496 1.00 3.40 C ATOM 806 CD GLU A 126 5.215 0.702 -9.825 1.00 4.27 C ATOM 807 OE1 GLU A 126 6.137 0.185 -10.493 1.00 4.78 O ATOM 808 OE2 GLU A 126 5.340 1.000 -8.618 1.00 4.72 O ATOM 0 H GLU A 126 2.480 0.534 -13.940 1.00 1.58 H new ATOM 0 HA GLU A 126 1.802 -1.011 -12.492 1.00 1.86 H new ATOM 0 HB2 GLU A 126 3.171 -1.071 -10.459 1.00 2.55 H new ATOM 0 HB3 GLU A 126 4.103 -0.664 -11.886 1.00 2.55 H new ATOM 0 HG2 GLU A 126 3.982 1.754 -11.219 1.00 3.40 H new ATOM 0 HG3 GLU A 126 3.157 1.275 -9.749 1.00 3.40 H new ATOM 815 N TYR A 127 -0.289 0.495 -11.659 1.00 0.80 N ATOM 816 CA TYR A 127 -1.525 0.746 -10.924 1.00 0.65 C ATOM 817 C TYR A 127 -1.450 2.067 -10.158 1.00 0.67 C ATOM 818 O TYR A 127 -1.851 3.113 -10.674 1.00 1.03 O ATOM 819 CB TYR A 127 -1.850 -0.430 -9.978 1.00 0.93 C ATOM 820 CG TYR A 127 -1.953 -1.769 -10.673 1.00 0.80 C ATOM 821 CD1 TYR A 127 -0.811 -2.477 -11.020 1.00 0.69 C ATOM 822 CD2 TYR A 127 -3.184 -2.325 -10.981 1.00 1.36 C ATOM 823 CE1 TYR A 127 -0.888 -3.695 -11.654 1.00 0.71 C ATOM 824 CE2 TYR A 127 -3.277 -3.547 -11.615 1.00 1.33 C ATOM 825 CZ TYR A 127 -2.125 -4.231 -11.952 1.00 0.74 C ATOM 826 OH TYR A 127 -2.217 -5.448 -12.591 1.00 0.83 O ATOM 0 H TYR A 127 -0.399 0.530 -12.672 1.00 0.80 H new ATOM 0 HA TYR A 127 -2.337 0.828 -11.647 1.00 0.65 H new ATOM 0 HB2 TYR A 127 -1.078 -0.489 -9.210 1.00 0.93 H new ATOM 0 HB3 TYR A 127 -2.791 -0.223 -9.469 1.00 0.93 H new ATOM 0 HD1 TYR A 127 0.159 -2.063 -10.787 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -4.087 -1.793 -10.720 1.00 1.36 H new ATOM 0 HE1 TYR A 127 0.013 -4.229 -11.917 1.00 0.71 H new ATOM 0 HE2 TYR A 127 -4.245 -3.966 -11.846 1.00 1.33 H new ATOM 0 HH TYR A 127 -3.161 -5.678 -12.723 1.00 0.83 H new ATOM 836 N SER A 128 -0.901 2.001 -8.957 1.00 0.56 N ATOM 837 CA SER A 128 -0.751 3.138 -8.061 1.00 0.59 C ATOM 838 C SER A 128 -0.362 2.604 -6.691 1.00 0.48 C ATOM 839 O SER A 128 -0.845 1.549 -6.276 1.00 0.49 O ATOM 840 CB SER A 128 -2.047 3.953 -7.956 1.00 0.77 C ATOM 841 OG SER A 128 -1.841 5.168 -7.250 1.00 1.44 O ATOM 0 H SER A 128 -0.537 1.132 -8.566 1.00 0.56 H new ATOM 0 HA SER A 128 0.017 3.805 -8.453 1.00 0.59 H new ATOM 0 HB2 SER A 128 -2.423 4.171 -8.956 1.00 0.77 H new ATOM 0 HB3 SER A 128 -2.810 3.362 -7.450 1.00 0.77 H new ATOM 0 HG SER A 128 -2.209 5.914 -7.768 1.00 1.44 H new ATOM 847 N LEU A 129 0.505 3.306 -5.988 1.00 0.45 N ATOM 848 CA LEU A 129 0.976 2.810 -4.710 1.00 0.40 C ATOM 849 C LEU A 129 0.218 3.473 -3.572 1.00 0.34 C ATOM 850 O LEU A 129 -0.221 4.620 -3.680 1.00 0.37 O ATOM 851 CB LEU A 129 2.484 3.031 -4.521 1.00 0.46 C ATOM 852 CG LEU A 129 3.409 2.480 -5.619 1.00 0.58 C ATOM 853 CD1 LEU A 129 3.042 1.048 -5.966 1.00 1.02 C ATOM 854 CD2 LEU A 129 3.387 3.363 -6.859 1.00 1.31 C ATOM 0 H LEU A 129 0.892 4.206 -6.273 1.00 0.45 H new ATOM 0 HA LEU A 129 0.792 1.736 -4.699 1.00 0.40 H new ATOM 0 HB2 LEU A 129 2.662 4.103 -4.433 1.00 0.46 H new ATOM 0 HB3 LEU A 129 2.777 2.581 -3.573 1.00 0.46 H new ATOM 0 HG LEU A 129 4.427 2.486 -5.229 1.00 0.58 H new ATOM 0 HD11 LEU A 129 3.710 0.680 -6.745 1.00 1.02 H new ATOM 0 HD12 LEU A 129 3.139 0.422 -5.079 1.00 1.02 H new ATOM 0 HD13 LEU A 129 2.013 1.013 -6.324 1.00 1.02 H new ATOM 0 HD21 LEU A 129 4.051 2.945 -7.615 1.00 1.31 H new ATOM 0 HD22 LEU A 129 2.372 3.410 -7.254 1.00 1.31 H new ATOM 0 HD23 LEU A 129 3.722 4.367 -6.597 1.00 1.31 H new ATOM 866 N VAL A 130 0.049 2.735 -2.494 1.00 0.30 N ATOM 867 CA VAL A 130 -0.616 3.240 -1.309 1.00 0.27 C ATOM 868 C VAL A 130 0.092 2.743 -0.050 1.00 0.31 C ATOM 869 O VAL A 130 0.608 1.632 -0.007 1.00 0.34 O ATOM 870 CB VAL A 130 -2.127 2.859 -1.286 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.405 1.644 -2.151 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.627 2.602 0.127 1.00 0.66 C ATOM 0 H VAL A 130 0.368 1.769 -2.414 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.560 4.328 -1.335 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.667 3.715 -1.692 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.468 1.405 -2.112 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -2.118 1.857 -3.181 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -1.829 0.795 -1.782 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.685 2.340 0.097 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -2.062 1.781 0.569 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -2.493 3.501 0.729 1.00 0.66 H new ATOM 882 N ARG A 131 0.158 3.598 0.949 1.00 0.37 N ATOM 883 CA ARG A 131 0.705 3.235 2.240 1.00 0.44 C ATOM 884 C ARG A 131 -0.375 2.630 3.117 1.00 0.48 C ATOM 885 O ARG A 131 -1.380 3.287 3.400 1.00 0.58 O ATOM 886 CB ARG A 131 1.261 4.470 2.945 1.00 0.53 C ATOM 887 CG ARG A 131 2.514 5.051 2.321 1.00 1.14 C ATOM 888 CD ARG A 131 2.881 6.367 2.985 1.00 1.21 C ATOM 889 NE ARG A 131 2.961 6.241 4.443 1.00 0.99 N ATOM 890 CZ ARG A 131 2.764 7.250 5.294 1.00 1.15 C ATOM 891 NH1 ARG A 131 2.461 8.460 4.837 1.00 1.84 N ATOM 892 NH2 ARG A 131 2.866 7.041 6.604 1.00 1.52 N ATOM 0 H ARG A 131 -0.166 4.563 0.889 1.00 0.37 H new ATOM 0 HA ARG A 131 1.502 2.509 2.077 1.00 0.44 H new ATOM 0 HB2 ARG A 131 0.490 5.240 2.960 1.00 0.53 H new ATOM 0 HB3 ARG A 131 1.475 4.213 3.982 1.00 0.53 H new ATOM 0 HG2 ARG A 131 3.338 4.345 2.421 1.00 1.14 H new ATOM 0 HG3 ARG A 131 2.356 5.207 1.254 1.00 1.14 H new ATOM 0 HD2 ARG A 131 3.839 6.714 2.598 1.00 1.21 H new ATOM 0 HD3 ARG A 131 2.140 7.123 2.726 1.00 1.21 H new ATOM 0 HE ARG A 131 3.181 5.324 4.832 1.00 0.99 H new ATOM 0 HH11 ARG A 131 2.378 8.620 3.833 1.00 1.84 H new ATOM 0 HH12 ARG A 131 2.311 9.229 5.490 1.00 1.84 H new ATOM 0 HH21 ARG A 131 3.094 6.111 6.956 1.00 1.52 H new ATOM 0 HH22 ARG A 131 2.716 7.811 7.256 1.00 1.52 H new ATOM 906 N GLU A 132 -0.187 1.393 3.538 1.00 0.47 N ATOM 907 CA GLU A 132 -1.046 0.828 4.558 1.00 0.57 C ATOM 908 C GLU A 132 -0.436 1.123 5.917 1.00 0.66 C ATOM 909 O GLU A 132 0.519 0.464 6.339 1.00 0.75 O ATOM 910 CB GLU A 132 -1.248 -0.680 4.379 1.00 0.62 C ATOM 911 CG GLU A 132 -2.188 -1.269 5.422 1.00 1.02 C ATOM 912 CD GLU A 132 -2.405 -2.759 5.270 1.00 1.27 C ATOM 913 OE1 GLU A 132 -1.516 -3.538 5.679 1.00 2.12 O ATOM 914 OE2 GLU A 132 -3.441 -3.158 4.700 1.00 1.26 O ATOM 0 H GLU A 132 0.543 0.769 3.194 1.00 0.47 H new ATOM 0 HA GLU A 132 -2.032 1.285 4.474 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -1.647 -0.874 3.383 1.00 0.62 H new ATOM 0 HB3 GLU A 132 -0.283 -1.183 4.439 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -1.787 -1.068 6.415 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -3.151 -0.762 5.359 1.00 1.02 H new ATOM 921 N LEU A 133 -0.959 2.150 6.572 1.00 0.77 N ATOM 922 CA LEU A 133 -0.441 2.573 7.862 1.00 0.97 C ATOM 923 C LEU A 133 -0.668 1.493 8.907 1.00 1.32 C ATOM 924 O LEU A 133 -1.779 0.975 9.053 1.00 1.55 O ATOM 925 CB LEU A 133 -1.085 3.887 8.320 1.00 1.18 C ATOM 926 CG LEU A 133 -0.516 5.172 7.696 1.00 1.21 C ATOM 927 CD1 LEU A 133 -0.614 5.148 6.180 1.00 1.25 C ATOM 928 CD2 LEU A 133 -1.242 6.389 8.250 1.00 2.00 C ATOM 0 H LEU A 133 -1.743 2.705 6.229 1.00 0.77 H new ATOM 0 HA LEU A 133 0.630 2.740 7.748 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -2.152 3.842 8.100 1.00 1.18 H new ATOM 0 HB3 LEU A 133 -0.986 3.958 9.403 1.00 1.18 H new ATOM 0 HG LEU A 133 0.540 5.232 7.960 1.00 1.21 H new ATOM 0 HD11 LEU A 133 -0.202 6.072 5.774 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -0.051 4.299 5.792 1.00 1.25 H new ATOM 0 HD13 LEU A 133 -1.659 5.056 5.884 1.00 1.25 H new ATOM 0 HD21 LEU A 133 -0.831 7.293 7.801 1.00 2.00 H new ATOM 0 HD22 LEU A 133 -2.304 6.318 8.015 1.00 2.00 H new ATOM 0 HD23 LEU A 133 -1.112 6.429 9.331 1.00 2.00 H new ATOM 1531 N ASP A 168 -10.090 2.842 3.557 1.00 1.54 N ATOM 1532 CA ASP A 168 -9.487 3.832 2.663 1.00 1.34 C ATOM 1533 C ASP A 168 -9.168 5.119 3.406 1.00 1.35 C ATOM 1534 O ASP A 168 -8.764 6.122 2.818 1.00 1.56 O ATOM 1535 CB ASP A 168 -10.392 4.122 1.460 1.00 1.54 C ATOM 1536 CG ASP A 168 -11.733 4.714 1.852 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -12.661 3.948 2.167 1.00 2.42 O ATOM 1538 OD2 ASP A 168 -11.863 5.955 1.854 1.00 2.11 O ATOM 0 HA ASP A 168 -8.554 3.408 2.292 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -9.881 4.810 0.786 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -10.558 3.198 0.907 1.00 1.54 H new ATOM 1543 N ASP A 169 -9.328 5.055 4.705 1.00 1.37 N ATOM 1544 CA ASP A 169 -8.962 6.145 5.595 1.00 1.46 C ATOM 1545 C ASP A 169 -7.523 5.945 6.046 1.00 1.24 C ATOM 1546 O ASP A 169 -6.734 6.888 6.116 1.00 1.29 O ATOM 1547 CB ASP A 169 -9.897 6.177 6.808 1.00 1.79 C ATOM 1548 CG ASP A 169 -9.589 7.315 7.761 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -8.759 7.121 8.675 1.00 2.35 O ATOM 1550 OD2 ASP A 169 -10.166 8.410 7.598 1.00 2.57 O ATOM 0 H ASP A 169 -9.718 4.243 5.184 1.00 1.37 H new ATOM 0 HA ASP A 169 -9.055 7.095 5.069 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -10.927 6.267 6.464 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -9.821 5.231 7.344 1.00 1.79 H new ATOM 1555 N GLU A 170 -7.190 4.688 6.308 1.00 1.13 N ATOM 1556 CA GLU A 170 -5.867 4.299 6.758 1.00 1.05 C ATOM 1557 C GLU A 170 -4.910 4.152 5.577 1.00 0.82 C ATOM 1558 O GLU A 170 -3.694 4.091 5.744 1.00 0.83 O ATOM 1559 CB GLU A 170 -5.988 2.978 7.509 1.00 1.23 C ATOM 1560 CG GLU A 170 -6.930 3.049 8.703 1.00 1.87 C ATOM 1561 CD GLU A 170 -7.579 1.717 9.013 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -6.916 0.847 9.613 1.00 2.60 O ATOM 1563 OE2 GLU A 170 -8.761 1.532 8.649 1.00 2.93 O ATOM 0 H GLU A 170 -7.838 3.906 6.212 1.00 1.13 H new ATOM 0 HA GLU A 170 -5.462 5.070 7.414 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -6.340 2.208 6.822 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -5.000 2.671 7.852 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -6.377 3.392 9.577 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -7.705 3.789 8.506 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.482 4.089 4.384 1.00 0.73 N ATOM 1571 CA LEU A 171 -4.704 3.967 3.156 1.00 0.62 C ATOM 1572 C LEU A 171 -4.260 5.340 2.653 1.00 0.57 C ATOM 1573 O LEU A 171 -5.087 6.178 2.293 1.00 0.73 O ATOM 1574 CB LEU A 171 -5.528 3.252 2.075 1.00 0.67 C ATOM 1575 CG LEU A 171 -5.349 1.726 1.987 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -5.579 1.060 3.335 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.294 1.146 0.946 1.00 1.16 C ATOM 0 H LEU A 171 -6.491 4.121 4.238 1.00 0.73 H new ATOM 0 HA LEU A 171 -3.814 3.377 3.374 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -6.583 3.464 2.251 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -5.273 3.684 1.107 1.00 0.67 H new ATOM 0 HG LEU A 171 -4.320 1.527 1.687 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -5.445 -0.017 3.236 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -4.865 1.450 4.060 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -6.593 1.269 3.676 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.158 0.066 0.893 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.324 1.369 1.225 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -6.078 1.587 -0.027 1.00 1.16 H new ATOM 1589 N ASN A 172 -2.953 5.567 2.644 1.00 0.49 N ATOM 1590 CA ASN A 172 -2.393 6.829 2.164 1.00 0.51 C ATOM 1591 C ASN A 172 -1.697 6.621 0.825 1.00 0.45 C ATOM 1592 O ASN A 172 -0.585 6.099 0.774 1.00 0.48 O ATOM 1593 CB ASN A 172 -1.401 7.403 3.184 1.00 0.66 C ATOM 1594 CG ASN A 172 -0.795 8.728 2.746 1.00 1.58 C ATOM 1595 OD1 ASN A 172 -1.310 9.796 3.069 1.00 1.82 O ATOM 1596 ND2 ASN A 172 0.297 8.668 1.999 1.00 2.56 N ATOM 0 H ASN A 172 -2.257 4.893 2.964 1.00 0.49 H new ATOM 0 HA ASN A 172 -3.210 7.539 2.034 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -1.909 7.540 4.138 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -0.601 6.681 3.350 1.00 0.66 H new ATOM 0 HD21 ASN A 172 0.739 9.527 1.672 1.00 2.56 H new ATOM 0 HD22 ASN A 172 0.696 7.763 1.751 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.351 7.021 -0.254 1.00 0.45 N ATOM 1604 CA TRP A 173 -1.817 6.816 -1.599 1.00 0.46 C ATOM 1605 C TRP A 173 -0.604 7.705 -1.860 1.00 0.56 C ATOM 1606 O TRP A 173 -0.511 8.813 -1.329 1.00 0.69 O ATOM 1607 CB TRP A 173 -2.897 7.093 -2.645 1.00 0.48 C ATOM 1608 CG TRP A 173 -4.034 6.118 -2.605 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -5.102 6.134 -1.754 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -4.218 4.986 -3.461 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -5.936 5.079 -2.028 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.418 4.362 -3.072 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -3.489 4.439 -4.520 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -5.902 3.222 -3.705 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -3.972 3.305 -5.147 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -5.169 2.709 -4.738 1.00 0.64 C ATOM 0 H TRP A 173 -3.256 7.491 -0.228 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.498 5.776 -1.674 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.287 8.100 -2.495 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -2.445 7.071 -3.637 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.266 6.869 -0.980 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -6.802 4.864 -1.533 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -2.564 4.894 -4.843 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -6.825 2.758 -3.391 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -3.416 2.873 -5.966 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -5.521 1.825 -5.249 1.00 0.64 H new ATOM 1627 N LEU A 174 0.322 7.211 -2.675 1.00 0.53 N ATOM 1628 CA LEU A 174 1.513 7.969 -3.036 1.00 0.65 C ATOM 1629 C LEU A 174 2.043 7.516 -4.394 1.00 0.61 C ATOM 1630 O LEU A 174 1.666 6.455 -4.898 1.00 0.62 O ATOM 1631 CB LEU A 174 2.609 7.885 -1.935 1.00 0.72 C ATOM 1632 CG LEU A 174 3.295 6.520 -1.648 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.298 5.406 -1.389 1.00 0.53 C ATOM 1634 CD2 LEU A 174 4.260 6.123 -2.755 1.00 0.67 C ATOM 0 H LEU A 174 0.269 6.285 -3.099 1.00 0.53 H new ATOM 0 HA LEU A 174 1.231 9.019 -3.115 1.00 0.65 H new ATOM 0 HB2 LEU A 174 3.392 8.597 -2.197 1.00 0.72 H new ATOM 0 HB3 LEU A 174 2.164 8.230 -1.002 1.00 0.72 H new ATOM 0 HG LEU A 174 3.868 6.665 -0.732 1.00 0.64 H new ATOM 0 HD11 LEU A 174 2.833 4.477 -1.195 1.00 0.53 H new ATOM 0 HD12 LEU A 174 1.686 5.660 -0.524 1.00 0.53 H new ATOM 0 HD13 LEU A 174 1.658 5.280 -2.262 1.00 0.53 H new ATOM 0 HD21 LEU A 174 4.716 5.163 -2.513 1.00 0.67 H new ATOM 0 HD22 LEU A 174 3.718 6.040 -3.697 1.00 0.67 H new ATOM 0 HD23 LEU A 174 5.038 6.881 -2.849 1.00 0.67 H new ATOM 1646 N ASP A 175 2.904 8.329 -4.986 1.00 0.76 N ATOM 1647 CA ASP A 175 3.505 8.002 -6.270 1.00 0.80 C ATOM 1648 C ASP A 175 5.015 7.856 -6.119 1.00 0.77 C ATOM 1649 O ASP A 175 5.545 7.898 -5.009 1.00 0.98 O ATOM 1650 CB ASP A 175 3.176 9.071 -7.317 1.00 1.07 C ATOM 1651 CG ASP A 175 3.856 10.397 -7.043 1.00 1.93 C ATOM 1652 OD1 ASP A 175 3.396 11.132 -6.147 1.00 2.79 O ATOM 1653 OD2 ASP A 175 4.861 10.707 -7.716 1.00 2.39 O ATOM 0 H ASP A 175 3.203 9.223 -4.596 1.00 0.76 H new ATOM 0 HA ASP A 175 3.089 7.054 -6.612 1.00 0.80 H new ATOM 0 HB2 ASP A 175 3.476 8.712 -8.302 1.00 1.07 H new ATOM 0 HB3 ASP A 175 2.097 9.222 -7.348 1.00 1.07 H new ATOM 1658 N HIS A 176 5.710 7.703 -7.236 1.00 0.76 N ATOM 1659 CA HIS A 176 7.139 7.419 -7.210 1.00 0.85 C ATOM 1660 C HIS A 176 7.966 8.654 -6.878 1.00 1.05 C ATOM 1661 O HIS A 176 9.081 8.536 -6.364 1.00 1.99 O ATOM 1662 CB HIS A 176 7.607 6.870 -8.549 1.00 0.87 C ATOM 1663 CG HIS A 176 7.118 5.492 -8.872 1.00 0.84 C ATOM 1664 ND1 HIS A 176 7.021 5.019 -10.161 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.733 4.469 -8.069 1.00 0.81 C ATOM 1666 CE1 HIS A 176 6.600 3.770 -10.140 1.00 1.03 C ATOM 1667 NE2 HIS A 176 6.421 3.414 -8.885 1.00 0.82 N ATOM 0 H HIS A 176 5.309 7.770 -8.172 1.00 0.76 H new ATOM 0 HA HIS A 176 7.289 6.676 -6.426 1.00 0.85 H new ATOM 0 HB2 HIS A 176 7.282 7.549 -9.337 1.00 0.87 H new ATOM 0 HB3 HIS A 176 8.697 6.865 -8.562 1.00 0.87 H new ATOM 0 HD2 HIS A 176 6.682 4.483 -6.990 1.00 0.81 H new ATOM 0 HE1 HIS A 176 6.431 3.145 -11.005 1.00 1.03 H new ATOM 0 HE2 HIS A 176 6.101 2.498 -8.570 1.00 0.82 H new ATOM 1676 N GLY A 177 7.425 9.831 -7.172 1.00 0.93 N ATOM 1677 CA GLY A 177 8.159 11.063 -6.954 1.00 0.94 C ATOM 1678 C GLY A 177 8.118 11.497 -5.508 1.00 0.95 C ATOM 1679 O GLY A 177 7.651 12.590 -5.192 1.00 1.16 O ATOM 0 H GLY A 177 6.489 9.954 -7.558 1.00 0.93 H new ATOM 0 HA2 GLY A 177 9.196 10.927 -7.263 1.00 0.94 H new ATOM 0 HA3 GLY A 177 7.740 11.850 -7.581 1.00 0.94 H new ATOM 1683 N ARG A 178 8.604 10.630 -4.634 1.00 0.81 N ATOM 1684 CA ARG A 178 8.572 10.862 -3.198 1.00 0.89 C ATOM 1685 C ARG A 178 9.620 10.010 -2.506 1.00 0.62 C ATOM 1686 O ARG A 178 9.989 8.940 -2.995 1.00 0.64 O ATOM 1687 CB ARG A 178 7.190 10.519 -2.623 1.00 1.22 C ATOM 1688 CG ARG A 178 6.179 11.651 -2.685 1.00 1.50 C ATOM 1689 CD ARG A 178 6.196 12.497 -1.426 1.00 1.27 C ATOM 1690 NE ARG A 178 4.997 13.329 -1.309 1.00 1.32 N ATOM 1691 CZ ARG A 178 5.010 14.629 -1.008 1.00 1.66 C ATOM 1692 NH1 ARG A 178 6.160 15.276 -0.874 1.00 2.09 N ATOM 1693 NH2 ARG A 178 3.867 15.287 -0.861 1.00 2.11 N ATOM 0 H ARG A 178 9.033 9.744 -4.901 1.00 0.81 H new ATOM 0 HA ARG A 178 8.781 11.917 -3.023 1.00 0.89 H new ATOM 0 HB2 ARG A 178 6.789 9.662 -3.164 1.00 1.22 H new ATOM 0 HB3 ARG A 178 7.309 10.213 -1.584 1.00 1.22 H new ATOM 0 HG2 ARG A 178 6.393 12.281 -3.548 1.00 1.50 H new ATOM 0 HG3 ARG A 178 5.181 11.238 -2.831 1.00 1.50 H new ATOM 0 HD2 ARG A 178 6.273 11.848 -0.554 1.00 1.27 H new ATOM 0 HD3 ARG A 178 7.081 13.134 -1.429 1.00 1.27 H new ATOM 0 HE ARG A 178 4.092 12.886 -1.468 1.00 1.32 H new ATOM 0 HH11 ARG A 178 7.042 14.780 -1.001 1.00 2.09 H new ATOM 0 HH12 ARG A 178 6.162 16.270 -0.644 1.00 2.09 H new ATOM 0 HH21 ARG A 178 2.979 14.799 -0.978 1.00 2.11 H new ATOM 0 HH22 ARG A 178 3.877 16.281 -0.631 1.00 2.11 H new ATOM 1707 N THR A 179 10.112 10.502 -1.390 1.00 0.57 N ATOM 1708 CA THR A 179 10.987 9.731 -0.532 1.00 0.61 C ATOM 1709 C THR A 179 10.226 9.274 0.706 1.00 0.61 C ATOM 1710 O THR A 179 9.078 9.680 0.919 1.00 0.56 O ATOM 1711 CB THR A 179 12.212 10.560 -0.120 1.00 0.83 C ATOM 1712 OG1 THR A 179 11.788 11.795 0.464 1.00 0.90 O ATOM 1713 CG2 THR A 179 13.090 10.840 -1.325 1.00 0.91 C ATOM 0 H THR A 179 9.918 11.445 -1.052 1.00 0.57 H new ATOM 0 HA THR A 179 11.333 8.857 -1.084 1.00 0.61 H new ATOM 0 HB THR A 179 12.788 9.992 0.611 1.00 0.83 H new ATOM 0 HG1 THR A 179 12.573 12.319 0.726 1.00 0.90 H new ATOM 0 HG21 THR A 179 13.954 11.429 -1.017 1.00 0.91 H new ATOM 0 HG22 THR A 179 13.428 9.898 -1.756 1.00 0.91 H new ATOM 0 HG23 THR A 179 12.520 11.395 -2.070 1.00 0.91 H new ATOM 1721 N LEU A 180 10.855 8.446 1.524 1.00 0.80 N ATOM 1722 CA LEU A 180 10.204 7.912 2.712 1.00 0.90 C ATOM 1723 C LEU A 180 10.008 9.007 3.753 1.00 0.91 C ATOM 1724 O LEU A 180 8.968 9.081 4.409 1.00 0.95 O ATOM 1725 CB LEU A 180 11.028 6.764 3.299 1.00 1.22 C ATOM 1726 CG LEU A 180 11.235 5.572 2.360 1.00 1.41 C ATOM 1727 CD1 LEU A 180 12.098 4.511 3.021 1.00 2.05 C ATOM 1728 CD2 LEU A 180 9.894 4.983 1.944 1.00 2.08 C ATOM 0 H LEU A 180 11.815 8.128 1.389 1.00 0.80 H new ATOM 0 HA LEU A 180 9.225 7.529 2.425 1.00 0.90 H new ATOM 0 HB2 LEU A 180 12.004 7.150 3.593 1.00 1.22 H new ATOM 0 HB3 LEU A 180 10.538 6.412 4.207 1.00 1.22 H new ATOM 0 HG LEU A 180 11.751 5.926 1.467 1.00 1.41 H new ATOM 0 HD11 LEU A 180 12.232 3.673 2.337 1.00 2.05 H new ATOM 0 HD12 LEU A 180 13.070 4.936 3.270 1.00 2.05 H new ATOM 0 HD13 LEU A 180 11.611 4.161 3.931 1.00 2.05 H new ATOM 0 HD21 LEU A 180 10.059 4.137 1.277 1.00 2.08 H new ATOM 0 HD22 LEU A 180 9.354 4.647 2.829 1.00 2.08 H new ATOM 0 HD23 LEU A 180 9.307 5.743 1.428 1.00 2.08 H new ATOM 1740 N ARG A 181 11.005 9.876 3.868 1.00 0.99 N ATOM 1741 CA ARG A 181 10.970 10.962 4.841 1.00 1.14 C ATOM 1742 C ARG A 181 9.916 12.006 4.474 1.00 1.04 C ATOM 1743 O ARG A 181 9.349 12.651 5.354 1.00 1.14 O ATOM 1744 CB ARG A 181 12.351 11.610 4.965 1.00 1.37 C ATOM 1745 CG ARG A 181 12.928 12.088 3.644 1.00 1.60 C ATOM 1746 CD ARG A 181 14.347 12.599 3.812 1.00 2.05 C ATOM 1747 NE ARG A 181 14.947 12.969 2.535 1.00 2.91 N ATOM 1748 CZ ARG A 181 16.210 12.707 2.203 1.00 3.63 C ATOM 1749 NH1 ARG A 181 17.004 12.052 3.044 1.00 3.63 N ATOM 1750 NH2 ARG A 181 16.672 13.087 1.019 1.00 4.63 N ATOM 0 H ARG A 181 11.850 9.850 3.298 1.00 0.99 H new ATOM 0 HA ARG A 181 10.693 10.539 5.807 1.00 1.14 H new ATOM 0 HB2 ARG A 181 12.284 12.457 5.648 1.00 1.37 H new ATOM 0 HB3 ARG A 181 13.039 10.893 5.412 1.00 1.37 H new ATOM 0 HG2 ARG A 181 12.917 11.270 2.923 1.00 1.60 H new ATOM 0 HG3 ARG A 181 12.300 12.880 3.236 1.00 1.60 H new ATOM 0 HD2 ARG A 181 14.345 13.463 4.476 1.00 2.05 H new ATOM 0 HD3 ARG A 181 14.955 11.831 4.290 1.00 2.05 H new ATOM 0 HE ARG A 181 14.364 13.458 1.855 1.00 2.91 H new ATOM 0 HH11 ARG A 181 16.647 11.747 3.949 1.00 3.63 H new ATOM 0 HH12 ARG A 181 17.970 11.854 2.784 1.00 3.63 H new ATOM 0 HH21 ARG A 181 16.061 13.578 0.367 1.00 4.63 H new ATOM 0 HH22 ARG A 181 17.639 12.888 0.761 1.00 4.63 H new ATOM 1764 N GLU A 182 9.658 12.173 3.177 1.00 0.93 N ATOM 1765 CA GLU A 182 8.613 13.086 2.717 1.00 0.98 C ATOM 1766 C GLU A 182 7.259 12.663 3.245 1.00 0.98 C ATOM 1767 O GLU A 182 6.552 13.436 3.889 1.00 1.16 O ATOM 1768 CB GLU A 182 8.544 13.118 1.194 1.00 0.96 C ATOM 1769 CG GLU A 182 9.615 13.962 0.550 1.00 1.17 C ATOM 1770 CD GLU A 182 9.536 13.932 -0.955 1.00 1.52 C ATOM 1771 OE1 GLU A 182 8.655 14.606 -1.520 1.00 1.91 O ATOM 1772 OE2 GLU A 182 10.343 13.214 -1.574 1.00 1.94 O ATOM 0 H GLU A 182 10.156 11.690 2.429 1.00 0.93 H new ATOM 0 HA GLU A 182 8.866 14.077 3.093 1.00 0.98 H new ATOM 0 HB2 GLU A 182 8.622 12.099 0.815 1.00 0.96 H new ATOM 0 HB3 GLU A 182 7.567 13.496 0.892 1.00 0.96 H new ATOM 0 HG2 GLU A 182 9.521 14.991 0.897 1.00 1.17 H new ATOM 0 HG3 GLU A 182 10.595 13.607 0.868 1.00 1.17 H new ATOM 1779 N GLN A 183 6.918 11.417 2.970 1.00 0.90 N ATOM 1780 CA GLN A 183 5.614 10.891 3.317 1.00 1.02 C ATOM 1781 C GLN A 183 5.504 10.695 4.820 1.00 1.23 C ATOM 1782 O GLN A 183 4.412 10.719 5.386 1.00 1.48 O ATOM 1783 CB GLN A 183 5.386 9.554 2.614 1.00 1.06 C ATOM 1784 CG GLN A 183 5.678 9.580 1.125 1.00 1.27 C ATOM 1785 CD GLN A 183 5.642 8.196 0.512 1.00 1.41 C ATOM 1786 OE1 GLN A 183 4.905 7.325 0.961 1.00 2.02 O ATOM 1787 NE2 GLN A 183 6.454 7.979 -0.507 1.00 1.34 N ATOM 0 H GLN A 183 7.532 10.748 2.504 1.00 0.90 H new ATOM 0 HA GLN A 183 4.857 11.606 2.994 1.00 1.02 H new ATOM 0 HB2 GLN A 183 6.014 8.797 3.084 1.00 1.06 H new ATOM 0 HB3 GLN A 183 4.351 9.248 2.765 1.00 1.06 H new ATOM 0 HG2 GLN A 183 4.949 10.217 0.624 1.00 1.27 H new ATOM 0 HG3 GLN A 183 6.659 10.025 0.956 1.00 1.27 H new ATOM 0 HE21 GLN A 183 7.052 8.730 -0.852 1.00 1.34 H new ATOM 0 HE22 GLN A 183 6.483 7.060 -0.949 1.00 1.34 H new ATOM 1796 N GLY A 184 6.649 10.518 5.461 1.00 1.33 N ATOM 1797 CA GLY A 184 6.663 10.185 6.865 1.00 1.78 C ATOM 1798 C GLY A 184 6.334 8.725 7.062 1.00 1.49 C ATOM 1799 O GLY A 184 5.625 8.355 7.998 1.00 1.85 O ATOM 0 H GLY A 184 7.570 10.600 5.030 1.00 1.33 H new ATOM 0 HA2 GLY A 184 7.644 10.404 7.288 1.00 1.78 H new ATOM 0 HA3 GLY A 184 5.941 10.803 7.399 1.00 1.78 H new ATOM 1803 N VAL A 185 6.841 7.896 6.160 1.00 1.10 N ATOM 1804 CA VAL A 185 6.539 6.478 6.180 1.00 1.23 C ATOM 1805 C VAL A 185 7.722 5.670 6.700 1.00 1.12 C ATOM 1806 O VAL A 185 8.805 5.651 6.106 1.00 1.54 O ATOM 1807 CB VAL A 185 6.105 5.966 4.782 1.00 1.51 C ATOM 1808 CG1 VAL A 185 7.111 6.349 3.709 1.00 1.70 C ATOM 1809 CG2 VAL A 185 5.885 4.459 4.796 1.00 1.63 C ATOM 0 H VAL A 185 7.464 8.185 5.406 1.00 1.10 H new ATOM 0 HA VAL A 185 5.701 6.338 6.863 1.00 1.23 H new ATOM 0 HB VAL A 185 5.159 6.449 4.539 1.00 1.51 H new ATOM 0 HG11 VAL A 185 6.773 5.973 2.743 1.00 1.70 H new ATOM 0 HG12 VAL A 185 7.201 7.434 3.665 1.00 1.70 H new ATOM 0 HG13 VAL A 185 8.081 5.914 3.948 1.00 1.70 H new ATOM 0 HG21 VAL A 185 5.581 4.126 3.803 1.00 1.63 H new ATOM 0 HG22 VAL A 185 6.811 3.959 5.079 1.00 1.63 H new ATOM 0 HG23 VAL A 185 5.105 4.212 5.516 1.00 1.63 H new ATOM 1819 N GLU A 186 7.513 5.044 7.844 1.00 1.26 N ATOM 1820 CA GLU A 186 8.484 4.139 8.413 1.00 1.39 C ATOM 1821 C GLU A 186 8.647 2.906 7.540 1.00 1.49 C ATOM 1822 O GLU A 186 7.725 2.504 6.834 1.00 2.04 O ATOM 1823 CB GLU A 186 8.044 3.739 9.814 1.00 1.52 C ATOM 1824 CG GLU A 186 9.052 4.123 10.867 1.00 1.57 C ATOM 1825 CD GLU A 186 10.320 3.306 10.761 1.00 2.21 C ATOM 1826 OE1 GLU A 186 11.189 3.652 9.935 1.00 2.87 O ATOM 1827 OE2 GLU A 186 10.438 2.297 11.489 1.00 2.48 O ATOM 0 H GLU A 186 6.665 5.151 8.401 1.00 1.26 H new ATOM 0 HA GLU A 186 9.448 4.644 8.467 1.00 1.39 H new ATOM 0 HB2 GLU A 186 7.089 4.212 10.040 1.00 1.52 H new ATOM 0 HB3 GLU A 186 7.882 2.662 9.847 1.00 1.52 H new ATOM 0 HG2 GLU A 186 9.293 5.181 10.769 1.00 1.57 H new ATOM 0 HG3 GLU A 186 8.614 3.986 11.856 1.00 1.57 H new ATOM 1834 N GLU A 187 9.813 2.295 7.601 1.00 1.26 N ATOM 1835 CA GLU A 187 10.097 1.130 6.781 1.00 1.33 C ATOM 1836 C GLU A 187 9.447 -0.125 7.357 1.00 1.35 C ATOM 1837 O GLU A 187 9.488 -1.192 6.744 1.00 1.49 O ATOM 1838 CB GLU A 187 11.604 0.937 6.640 1.00 1.44 C ATOM 1839 CG GLU A 187 12.342 0.898 7.966 1.00 1.45 C ATOM 1840 CD GLU A 187 13.825 0.698 7.786 1.00 1.45 C ATOM 1841 OE1 GLU A 187 14.537 1.696 7.561 1.00 1.90 O ATOM 1842 OE2 GLU A 187 14.291 -0.451 7.879 1.00 1.53 O ATOM 0 H GLU A 187 10.580 2.584 8.208 1.00 1.26 H new ATOM 0 HA GLU A 187 9.671 1.301 5.792 1.00 1.33 H new ATOM 0 HB2 GLU A 187 11.793 0.008 6.102 1.00 1.44 H new ATOM 0 HB3 GLU A 187 12.010 1.746 6.032 1.00 1.44 H new ATOM 0 HG2 GLU A 187 12.165 1.828 8.506 1.00 1.45 H new ATOM 0 HG3 GLU A 187 11.940 0.092 8.580 1.00 1.45 H new ATOM 1849 N HIS A 188 8.837 0.002 8.531 1.00 1.31 N ATOM 1850 CA HIS A 188 8.137 -1.127 9.134 1.00 1.39 C ATOM 1851 C HIS A 188 6.666 -1.121 8.726 1.00 1.20 C ATOM 1852 O HIS A 188 5.891 -1.980 9.153 1.00 1.24 O ATOM 1853 CB HIS A 188 8.283 -1.136 10.669 1.00 1.61 C ATOM 1854 CG HIS A 188 7.505 -0.080 11.409 1.00 1.70 C ATOM 1855 ND1 HIS A 188 8.098 1.005 12.021 1.00 1.87 N ATOM 1856 CD2 HIS A 188 6.180 0.019 11.687 1.00 1.78 C ATOM 1857 CE1 HIS A 188 7.175 1.716 12.646 1.00 2.02 C ATOM 1858 NE2 HIS A 188 6.007 1.138 12.457 1.00 1.98 N ATOM 0 H HIS A 188 8.813 0.863 9.078 1.00 1.31 H new ATOM 0 HA HIS A 188 8.598 -2.042 8.761 1.00 1.39 H new ATOM 0 HB2 HIS A 188 7.974 -2.114 11.038 1.00 1.61 H new ATOM 0 HB3 HIS A 188 9.339 -1.022 10.915 1.00 1.61 H new ATOM 0 HD1 HIS A 188 9.094 1.225 11.995 1.00 1.87 H new ATOM 0 HD2 HIS A 188 5.405 -0.659 11.361 1.00 1.78 H new ATOM 0 HE1 HIS A 188 7.349 2.617 13.215 1.00 2.02 H new ATOM 1867 N GLU A 189 6.287 -0.145 7.908 1.00 1.06 N ATOM 1868 CA GLU A 189 4.930 -0.073 7.383 1.00 0.92 C ATOM 1869 C GLU A 189 4.760 -1.080 6.247 1.00 0.81 C ATOM 1870 O GLU A 189 5.721 -1.740 5.848 1.00 1.08 O ATOM 1871 CB GLU A 189 4.618 1.334 6.868 1.00 0.90 C ATOM 1872 CG GLU A 189 4.854 2.436 7.888 1.00 1.26 C ATOM 1873 CD GLU A 189 4.012 2.287 9.131 1.00 2.13 C ATOM 1874 OE1 GLU A 189 2.772 2.288 9.018 1.00 2.47 O ATOM 1875 OE2 GLU A 189 4.591 2.185 10.230 1.00 2.73 O ATOM 0 H GLU A 189 6.901 0.607 7.595 1.00 1.06 H new ATOM 0 HA GLU A 189 4.238 -0.310 8.191 1.00 0.92 H new ATOM 0 HB2 GLU A 189 5.231 1.531 5.988 1.00 0.90 H new ATOM 0 HB3 GLU A 189 3.577 1.369 6.546 1.00 0.90 H new ATOM 0 HG2 GLU A 189 5.907 2.442 8.169 1.00 1.26 H new ATOM 0 HG3 GLU A 189 4.642 3.400 7.427 1.00 1.26 H new ATOM 1882 N THR A 190 3.551 -1.194 5.724 1.00 0.56 N ATOM 1883 CA THR A 190 3.292 -2.103 4.622 1.00 0.44 C ATOM 1884 C THR A 190 2.997 -1.324 3.343 1.00 0.40 C ATOM 1885 O THR A 190 2.099 -0.478 3.309 1.00 0.47 O ATOM 1886 CB THR A 190 2.116 -3.045 4.942 1.00 0.36 C ATOM 1887 OG1 THR A 190 2.340 -3.675 6.211 1.00 0.45 O ATOM 1888 CG2 THR A 190 1.956 -4.113 3.868 1.00 0.36 C ATOM 0 H THR A 190 2.736 -0.670 6.044 1.00 0.56 H new ATOM 0 HA THR A 190 4.187 -2.707 4.474 1.00 0.44 H new ATOM 0 HB THR A 190 1.202 -2.452 4.974 1.00 0.36 H new ATOM 0 HG1 THR A 190 1.591 -4.273 6.416 1.00 0.45 H new ATOM 0 HG21 THR A 190 1.118 -4.762 4.122 1.00 0.36 H new ATOM 0 HG22 THR A 190 1.767 -3.636 2.906 1.00 0.36 H new ATOM 0 HG23 THR A 190 2.868 -4.706 3.806 1.00 0.36 H new ATOM 1896 N LEU A 191 3.771 -1.593 2.300 1.00 0.38 N ATOM 1897 CA LEU A 191 3.559 -0.944 1.015 1.00 0.36 C ATOM 1898 C LEU A 191 2.436 -1.662 0.277 1.00 0.32 C ATOM 1899 O LEU A 191 2.537 -2.851 -0.030 1.00 0.35 O ATOM 1900 CB LEU A 191 4.854 -0.941 0.184 1.00 0.43 C ATOM 1901 CG LEU A 191 4.924 0.082 -0.965 1.00 0.57 C ATOM 1902 CD1 LEU A 191 4.005 -0.306 -2.114 1.00 0.97 C ATOM 1903 CD2 LEU A 191 4.579 1.474 -0.460 1.00 0.90 C ATOM 0 H LEU A 191 4.548 -2.254 2.319 1.00 0.38 H new ATOM 0 HA LEU A 191 3.275 0.096 1.176 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.692 -0.758 0.857 1.00 0.43 H new ATOM 0 HB3 LEU A 191 4.994 -1.937 -0.236 1.00 0.43 H new ATOM 0 HG LEU A 191 5.947 0.086 -1.342 1.00 0.57 H new ATOM 0 HD11 LEU A 191 4.080 0.438 -2.907 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.300 -1.281 -2.502 1.00 0.97 H new ATOM 0 HD13 LEU A 191 2.976 -0.353 -1.757 1.00 0.97 H new ATOM 0 HD21 LEU A 191 4.633 2.184 -1.285 1.00 0.90 H new ATOM 0 HD22 LEU A 191 3.570 1.472 -0.049 1.00 0.90 H new ATOM 0 HD23 LEU A 191 5.286 1.765 0.317 1.00 0.90 H new ATOM 1915 N LEU A 192 1.369 -0.939 0.012 1.00 0.31 N ATOM 1916 CA LEU A 192 0.195 -1.502 -0.622 1.00 0.32 C ATOM 1917 C LEU A 192 0.189 -1.142 -2.105 1.00 0.37 C ATOM 1918 O LEU A 192 0.326 0.023 -2.470 1.00 0.38 O ATOM 1919 CB LEU A 192 -1.064 -0.951 0.065 1.00 0.39 C ATOM 1920 CG LEU A 192 -2.249 -1.914 0.204 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -2.663 -2.496 -1.140 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -1.909 -3.014 1.192 1.00 1.34 C ATOM 0 H LEU A 192 1.290 0.054 0.229 1.00 0.31 H new ATOM 0 HA LEU A 192 0.209 -2.588 -0.526 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -0.786 -0.608 1.061 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.400 -0.076 -0.491 1.00 0.39 H new ATOM 0 HG LEU A 192 -3.101 -1.350 0.583 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -3.505 -3.173 -0.999 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -2.955 -1.689 -1.812 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -1.826 -3.043 -1.573 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -2.756 -3.694 1.285 1.00 1.34 H new ATOM 0 HD22 LEU A 192 -1.038 -3.565 0.837 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -1.688 -2.574 2.165 1.00 1.34 H new ATOM 1934 N LEU A 193 0.063 -2.143 -2.956 1.00 0.48 N ATOM 1935 CA LEU A 193 -0.110 -1.909 -4.379 1.00 0.58 C ATOM 1936 C LEU A 193 -1.572 -2.157 -4.736 1.00 0.61 C ATOM 1937 O LEU A 193 -2.086 -3.253 -4.516 1.00 0.64 O ATOM 1938 CB LEU A 193 0.825 -2.829 -5.185 1.00 0.65 C ATOM 1939 CG LEU A 193 0.790 -2.679 -6.717 1.00 0.76 C ATOM 1940 CD1 LEU A 193 -0.325 -3.515 -7.329 1.00 1.36 C ATOM 1941 CD2 LEU A 193 0.628 -1.221 -7.108 1.00 1.47 C ATOM 0 H LEU A 193 0.077 -3.127 -2.687 1.00 0.48 H new ATOM 0 HA LEU A 193 0.149 -0.880 -4.627 1.00 0.58 H new ATOM 0 HB2 LEU A 193 1.847 -2.654 -4.849 1.00 0.65 H new ATOM 0 HB3 LEU A 193 0.581 -3.862 -4.939 1.00 0.65 H new ATOM 0 HG LEU A 193 1.740 -3.044 -7.107 1.00 0.76 H new ATOM 0 HD11 LEU A 193 -0.323 -3.387 -8.412 1.00 1.36 H new ATOM 0 HD12 LEU A 193 -0.166 -4.566 -7.087 1.00 1.36 H new ATOM 0 HD13 LEU A 193 -1.285 -3.191 -6.927 1.00 1.36 H new ATOM 0 HD21 LEU A 193 0.606 -1.136 -8.194 1.00 1.47 H new ATOM 0 HD22 LEU A 193 -0.304 -0.835 -6.694 1.00 1.47 H new ATOM 0 HD23 LEU A 193 1.466 -0.644 -6.716 1.00 1.47 H new ATOM 1953 N ARG A 194 -2.242 -1.147 -5.271 1.00 0.67 N ATOM 1954 CA ARG A 194 -3.672 -1.243 -5.528 1.00 0.73 C ATOM 1955 C ARG A 194 -4.051 -0.446 -6.773 1.00 0.79 C ATOM 1956 O ARG A 194 -3.414 0.555 -7.096 1.00 0.92 O ATOM 1957 CB ARG A 194 -4.438 -0.718 -4.312 1.00 0.83 C ATOM 1958 CG ARG A 194 -5.939 -0.955 -4.359 1.00 0.96 C ATOM 1959 CD ARG A 194 -6.646 -0.228 -3.227 1.00 1.01 C ATOM 1960 NE ARG A 194 -8.068 -0.555 -3.151 1.00 1.54 N ATOM 1961 CZ ARG A 194 -9.029 0.124 -3.780 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -8.716 1.095 -4.630 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -10.304 -0.187 -3.576 1.00 2.86 N ATOM 0 H ARG A 194 -1.822 -0.256 -5.535 1.00 0.67 H new ATOM 0 HA ARG A 194 -3.933 -2.287 -5.702 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -4.037 -1.190 -3.415 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -4.255 0.352 -4.218 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -6.334 -0.614 -5.316 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -6.143 -2.024 -4.292 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -6.167 -0.483 -2.281 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -6.531 0.847 -3.363 1.00 1.01 H new ATOM 0 HE ARG A 194 -8.344 -1.354 -2.580 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -7.738 1.324 -4.804 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -9.454 1.611 -5.109 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -10.548 -0.945 -2.939 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -11.039 0.332 -4.057 1.00 2.86 H new ATOM 1977 N ARG A 195 -5.088 -0.889 -7.466 1.00 0.85 N ATOM 1978 CA ARG A 195 -5.517 -0.226 -8.684 1.00 0.94 C ATOM 1979 C ARG A 195 -6.552 0.854 -8.397 1.00 1.05 C ATOM 1980 O ARG A 195 -7.334 0.759 -7.449 1.00 1.43 O ATOM 1981 CB ARG A 195 -6.079 -1.234 -9.693 1.00 1.08 C ATOM 1982 CG ARG A 195 -7.366 -1.914 -9.248 1.00 1.07 C ATOM 1983 CD ARG A 195 -7.919 -2.825 -10.335 1.00 1.26 C ATOM 1984 NE ARG A 195 -7.058 -3.981 -10.585 1.00 1.14 N ATOM 1985 CZ ARG A 195 -6.799 -4.471 -11.797 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -7.354 -3.925 -12.870 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -6.000 -5.521 -11.940 1.00 2.01 N ATOM 0 H ARG A 195 -5.646 -1.702 -7.206 1.00 0.85 H new ATOM 0 HA ARG A 195 -4.637 0.249 -9.117 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -6.260 -0.722 -10.638 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -5.325 -1.998 -9.884 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -7.179 -2.495 -8.345 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -8.109 -1.158 -8.992 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -8.911 -3.170 -10.046 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -8.036 -2.256 -11.257 1.00 1.26 H new ATOM 0 HE ARG A 195 -6.629 -4.441 -9.782 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -7.982 -3.127 -12.770 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -7.153 -4.303 -13.796 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -5.580 -5.958 -11.119 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -5.806 -5.891 -12.870 1.00 2.01 H new ATOM 2001 N LYS A 196 -6.515 1.888 -9.218 1.00 1.10 N ATOM 2002 CA LYS A 196 -7.521 2.940 -9.211 1.00 1.22 C ATOM 2003 C LYS A 196 -7.718 3.443 -10.633 1.00 1.40 C ATOM 2004 O LYS A 196 -8.831 3.760 -11.049 1.00 2.26 O ATOM 2005 CB LYS A 196 -7.133 4.096 -8.280 1.00 1.40 C ATOM 2006 CG LYS A 196 -5.690 4.555 -8.419 1.00 1.16 C ATOM 2007 CD LYS A 196 -5.477 5.935 -7.813 1.00 1.16 C ATOM 2008 CE LYS A 196 -6.055 6.045 -6.409 1.00 1.32 C ATOM 2009 NZ LYS A 196 -5.835 7.392 -5.825 1.00 1.72 N ATOM 0 H LYS A 196 -5.782 2.024 -9.914 1.00 1.10 H new ATOM 0 HA LYS A 196 -8.454 2.526 -8.830 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -7.791 4.942 -8.477 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -7.307 3.790 -7.248 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -5.031 3.837 -7.930 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -5.414 4.574 -9.473 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -4.410 6.155 -7.782 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -5.939 6.686 -8.454 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -7.124 5.832 -6.438 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -5.597 5.292 -5.768 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -6.243 7.427 -4.869 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -4.814 7.586 -5.773 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -6.293 8.109 -6.423 1.00 1.72 H new