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 107 THR OG1 : rot -170:sc= -0.826 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= -0.0136 USER MOD Set 1.3: A 176 HIS : no HD1:sc= -0.183 X(o=-1,f=-0.85) USER MOD Set 2.1: A 116 CYS SG : rot 72:sc= 1.71 USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.73 K(o=2.4,f=-12!) USER MOD Single : A 85 MET CE :methyl 160:sc= -0.126 (180deg=-0.754) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -135:sc= -2.99 (180deg=-10.4!) 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 101 MET CE :methyl 175:sc= -1.32 (180deg=-1.59) USER MOD Single : A 105 SER OG : rot 5:sc= 0.902 USER MOD Single : A 106 LYS NZ :NH3+ -127:sc= 1.06 (180deg=0.351) USER MOD Single : A 111 MET CE :methyl -178:sc= -1.78 (180deg=-1.8) USER MOD Single : A 113 MET CE :methyl -156:sc= -0.262 (180deg=-1.07) USER MOD Single : A 114 THR OG1 : rot 81:sc= 0.79 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.137 X(o=0.14,f=-0.17) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc=-0.00811 USER MOD Single : A 172 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.27) USER MOD Single : A 179 THR OG1 : rot -150:sc= -3.16! USER MOD Single : A 183 GLN : amide:sc= -3.12! C(o=-3.1!,f=-4.7!) USER MOD Single : A 188 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.3) 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 19.978 -2.011 1.210 1.00 1.73 N ATOM 142 CA MET A 85 18.983 -3.047 0.999 1.00 1.50 C ATOM 143 C MET A 85 18.214 -3.313 2.280 1.00 1.22 C ATOM 144 O MET A 85 18.801 -3.504 3.346 1.00 1.24 O ATOM 145 CB MET A 85 19.626 -4.333 0.475 1.00 1.69 C ATOM 146 CG MET A 85 20.674 -4.934 1.396 1.00 2.17 C ATOM 147 SD MET A 85 21.294 -6.511 0.783 1.00 2.25 S ATOM 148 CE MET A 85 21.949 -6.019 -0.809 1.00 2.83 C ATOM 0 HA MET A 85 18.283 -2.694 0.242 1.00 1.50 H new ATOM 0 HB2 MET A 85 18.843 -5.072 0.305 1.00 1.69 H new ATOM 0 HB3 MET A 85 20.085 -4.127 -0.492 1.00 1.69 H new ATOM 0 HG2 MET A 85 21.504 -4.236 1.503 1.00 2.17 H new ATOM 0 HG3 MET A 85 20.246 -5.075 2.388 1.00 2.17 H new ATOM 0 HE1 MET A 85 22.665 -6.765 -1.154 1.00 2.83 H new ATOM 0 HE2 MET A 85 21.134 -5.938 -1.528 1.00 2.83 H new ATOM 0 HE3 MET A 85 22.448 -5.054 -0.715 1.00 2.83 H new ATOM 158 N ARG A 86 16.900 -3.309 2.170 1.00 1.11 N ATOM 159 CA ARG A 86 16.040 -3.496 3.329 1.00 1.09 C ATOM 160 C ARG A 86 14.901 -4.449 2.990 1.00 0.90 C ATOM 161 O ARG A 86 14.473 -4.518 1.837 1.00 0.83 O ATOM 162 CB ARG A 86 15.460 -2.148 3.779 1.00 1.42 C ATOM 163 CG ARG A 86 14.426 -1.597 2.812 1.00 1.04 C ATOM 164 CD ARG A 86 13.858 -0.265 3.259 1.00 1.23 C ATOM 165 NE ARG A 86 14.713 0.856 2.871 1.00 1.82 N ATOM 166 CZ ARG A 86 14.724 2.038 3.486 1.00 2.48 C ATOM 167 NH1 ARG A 86 14.015 2.221 4.595 1.00 2.60 N ATOM 168 NH2 ARG A 86 15.465 3.028 3.004 1.00 3.32 N ATOM 0 H ARG A 86 16.401 -3.178 1.290 1.00 1.11 H new ATOM 0 HA ARG A 86 16.635 -3.920 4.137 1.00 1.09 H new ATOM 0 HB2 ARG A 86 15.005 -2.264 4.763 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.270 -1.427 3.886 1.00 1.42 H new ATOM 0 HG2 ARG A 86 14.880 -1.482 1.828 1.00 1.04 H new ATOM 0 HG3 ARG A 86 13.614 -2.316 2.706 1.00 1.04 H new ATOM 0 HD2 ARG A 86 12.867 -0.131 2.826 1.00 1.23 H new ATOM 0 HD3 ARG A 86 13.735 -0.269 4.342 1.00 1.23 H new ATOM 0 HE ARG A 86 15.342 0.725 2.078 1.00 1.82 H new ATOM 0 HH11 ARG A 86 13.460 1.455 4.978 1.00 2.60 H new ATOM 0 HH12 ARG A 86 14.026 3.127 5.063 1.00 2.60 H new ATOM 0 HH21 ARG A 86 16.025 2.883 2.164 1.00 3.32 H new ATOM 0 HH22 ARG A 86 15.474 3.933 3.474 1.00 3.32 H new ATOM 182 N PRO A 87 14.411 -5.217 3.973 1.00 0.91 N ATOM 183 CA PRO A 87 13.205 -6.019 3.801 1.00 0.80 C ATOM 184 C PRO A 87 11.957 -5.142 3.878 1.00 0.73 C ATOM 185 O PRO A 87 11.706 -4.490 4.892 1.00 0.88 O ATOM 186 CB PRO A 87 13.259 -7.002 4.971 1.00 0.99 C ATOM 187 CG PRO A 87 14.045 -6.300 6.029 1.00 1.24 C ATOM 188 CD PRO A 87 15.000 -5.375 5.317 1.00 1.12 C ATOM 0 HA PRO A 87 13.158 -6.518 2.833 1.00 0.80 H new ATOM 0 HB2 PRO A 87 12.258 -7.252 5.323 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.737 -7.937 4.679 1.00 0.99 H new ATOM 0 HG2 PRO A 87 13.386 -5.740 6.693 1.00 1.24 H new ATOM 0 HG3 PRO A 87 14.587 -7.015 6.647 1.00 1.24 H new ATOM 0 HD2 PRO A 87 15.085 -4.417 5.830 1.00 1.12 H new ATOM 0 HD3 PRO A 87 16.003 -5.799 5.266 1.00 1.12 H new ATOM 196 N LEU A 88 11.190 -5.104 2.802 1.00 0.56 N ATOM 197 CA LEU A 88 10.016 -4.250 2.742 1.00 0.53 C ATOM 198 C LEU A 88 8.751 -5.101 2.733 1.00 0.42 C ATOM 199 O LEU A 88 8.664 -6.099 2.013 1.00 0.40 O ATOM 200 CB LEU A 88 10.080 -3.361 1.491 1.00 0.58 C ATOM 201 CG LEU A 88 9.512 -1.939 1.640 1.00 1.02 C ATOM 202 CD1 LEU A 88 8.005 -1.961 1.842 1.00 1.45 C ATOM 203 CD2 LEU A 88 10.189 -1.216 2.796 1.00 1.60 C ATOM 0 H LEU A 88 11.358 -5.653 1.959 1.00 0.56 H new ATOM 0 HA LEU A 88 9.993 -3.609 3.623 1.00 0.53 H new ATOM 0 HB2 LEU A 88 11.121 -3.283 1.179 1.00 0.58 H new ATOM 0 HB3 LEU A 88 9.542 -3.862 0.686 1.00 0.58 H new ATOM 0 HG LEU A 88 9.718 -1.400 0.715 1.00 1.02 H new ATOM 0 HD11 LEU A 88 7.637 -0.940 1.944 1.00 1.45 H new ATOM 0 HD12 LEU A 88 7.530 -2.434 0.983 1.00 1.45 H new ATOM 0 HD13 LEU A 88 7.767 -2.524 2.744 1.00 1.45 H new ATOM 0 HD21 LEU A 88 9.776 -0.211 2.888 1.00 1.60 H new ATOM 0 HD22 LEU A 88 10.015 -1.766 3.721 1.00 1.60 H new ATOM 0 HD23 LEU A 88 11.261 -1.152 2.608 1.00 1.60 H new ATOM 215 N LYS A 89 7.788 -4.715 3.556 1.00 0.41 N ATOM 216 CA LYS A 89 6.509 -5.403 3.616 1.00 0.36 C ATOM 217 C LYS A 89 5.618 -4.910 2.480 1.00 0.30 C ATOM 218 O LYS A 89 4.969 -3.876 2.607 1.00 0.33 O ATOM 219 CB LYS A 89 5.813 -5.122 4.954 1.00 0.46 C ATOM 220 CG LYS A 89 6.740 -5.111 6.163 1.00 0.63 C ATOM 221 CD LYS A 89 7.217 -6.503 6.547 1.00 1.12 C ATOM 222 CE LYS A 89 8.120 -6.445 7.770 1.00 1.44 C ATOM 223 NZ LYS A 89 8.454 -7.795 8.293 1.00 2.13 N ATOM 0 H LYS A 89 7.870 -3.924 4.195 1.00 0.41 H new ATOM 0 HA LYS A 89 6.682 -6.475 3.522 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.309 -4.158 4.891 1.00 0.46 H new ATOM 0 HB3 LYS A 89 5.041 -5.875 5.112 1.00 0.46 H new ATOM 0 HG2 LYS A 89 7.604 -4.481 5.948 1.00 0.63 H new ATOM 0 HG3 LYS A 89 6.221 -4.662 7.010 1.00 0.63 H new ATOM 0 HD2 LYS A 89 6.359 -7.143 6.753 1.00 1.12 H new ATOM 0 HD3 LYS A 89 7.756 -6.951 5.712 1.00 1.12 H new ATOM 0 HE2 LYS A 89 9.040 -5.920 7.514 1.00 1.44 H new ATOM 0 HE3 LYS A 89 7.630 -5.866 8.553 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 9.071 -7.702 9.125 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 7.579 -8.289 8.563 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 8.946 -8.341 7.557 1.00 2.13 H new ATOM 237 N ILE A 90 5.603 -5.624 1.367 1.00 0.27 N ATOM 238 CA ILE A 90 4.813 -5.204 0.217 1.00 0.26 C ATOM 239 C ILE A 90 3.705 -6.202 -0.086 1.00 0.26 C ATOM 240 O ILE A 90 3.958 -7.384 -0.265 1.00 0.37 O ATOM 241 CB ILE A 90 5.697 -4.984 -1.035 1.00 0.33 C ATOM 242 CG1 ILE A 90 6.798 -6.049 -1.151 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.309 -3.597 -1.014 1.00 0.43 C ATOM 244 CD1 ILE A 90 6.376 -7.298 -1.893 1.00 0.50 C ATOM 0 H ILE A 90 6.124 -6.491 1.233 1.00 0.27 H new ATOM 0 HA ILE A 90 4.355 -4.250 0.477 1.00 0.26 H new ATOM 0 HB ILE A 90 5.054 -5.077 -1.910 1.00 0.33 H new ATOM 0 HG12 ILE A 90 7.659 -5.612 -1.658 1.00 0.41 H new ATOM 0 HG13 ILE A 90 7.125 -6.328 -0.149 1.00 0.41 H new ATOM 0 HG21 ILE A 90 6.927 -3.459 -1.901 1.00 0.43 H new ATOM 0 HG22 ILE A 90 5.516 -2.849 -1.004 1.00 0.43 H new ATOM 0 HG23 ILE A 90 6.924 -3.484 -0.121 1.00 0.43 H new ATOM 0 HD11 ILE A 90 7.210 -7.998 -1.930 1.00 0.50 H new ATOM 0 HD12 ILE A 90 5.536 -7.762 -1.376 1.00 0.50 H new ATOM 0 HD13 ILE A 90 6.077 -7.035 -2.908 1.00 0.50 H new ATOM 256 N ARG A 91 2.470 -5.737 -0.123 1.00 0.23 N ATOM 257 CA ARG A 91 1.360 -6.630 -0.409 1.00 0.29 C ATOM 258 C ARG A 91 1.016 -6.623 -1.886 1.00 0.37 C ATOM 259 O ARG A 91 0.902 -5.563 -2.509 1.00 0.39 O ATOM 260 CB ARG A 91 0.118 -6.290 0.424 1.00 0.35 C ATOM 261 CG ARG A 91 -1.131 -7.024 -0.058 1.00 0.51 C ATOM 262 CD ARG A 91 -2.236 -7.050 0.982 1.00 0.67 C ATOM 263 NE ARG A 91 -2.623 -5.722 1.442 1.00 1.05 N ATOM 264 CZ ARG A 91 -3.881 -5.306 1.562 1.00 1.32 C ATOM 265 NH1 ARG A 91 -4.889 -6.103 1.223 1.00 1.20 N ATOM 266 NH2 ARG A 91 -4.119 -4.086 2.021 1.00 2.24 N ATOM 0 H ARG A 91 2.211 -4.764 0.038 1.00 0.23 H new ATOM 0 HA ARG A 91 1.685 -7.632 -0.130 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.304 -6.544 1.468 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.059 -5.215 0.384 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.502 -6.544 -0.964 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.865 -8.047 -0.325 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -3.109 -7.551 0.563 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -1.908 -7.642 1.836 1.00 0.67 H new ATOM 0 HE ARG A 91 -1.880 -5.068 1.688 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -4.701 -7.041 0.868 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -5.851 -5.777 1.318 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -3.342 -3.477 2.278 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -5.079 -3.756 2.117 1.00 2.24 H new ATOM 280 N MET A 92 0.865 -7.817 -2.439 1.00 0.54 N ATOM 281 CA MET A 92 0.411 -7.976 -3.804 1.00 0.67 C ATOM 282 C MET A 92 -1.018 -7.502 -3.936 1.00 0.64 C ATOM 283 O MET A 92 -1.918 -8.114 -3.370 1.00 0.92 O ATOM 284 CB MET A 92 0.495 -9.437 -4.235 1.00 0.88 C ATOM 285 CG MET A 92 1.855 -9.878 -4.764 1.00 1.00 C ATOM 286 SD MET A 92 3.232 -9.517 -3.650 1.00 1.34 S ATOM 287 CE MET A 92 3.636 -7.835 -4.121 1.00 1.05 C ATOM 0 H MET A 92 1.053 -8.695 -1.955 1.00 0.54 H new ATOM 0 HA MET A 92 1.057 -7.378 -4.446 1.00 0.67 H new ATOM 0 HB2 MET A 92 0.232 -10.066 -3.385 1.00 0.88 H new ATOM 0 HB3 MET A 92 -0.253 -9.615 -5.007 1.00 0.88 H new ATOM 0 HG2 MET A 92 1.828 -10.951 -4.955 1.00 1.00 H new ATOM 0 HG3 MET A 92 2.037 -9.388 -5.720 1.00 1.00 H new ATOM 0 HE1 MET A 92 4.717 -7.734 -4.218 1.00 1.05 H new ATOM 0 HE2 MET A 92 3.163 -7.601 -5.074 1.00 1.05 H new ATOM 0 HE3 MET A 92 3.274 -7.146 -3.357 1.00 1.05 H new ATOM 297 N LEU A 93 -1.172 -6.379 -4.635 1.00 0.74 N ATOM 298 CA LEU A 93 -2.458 -5.813 -5.058 1.00 0.79 C ATOM 299 C LEU A 93 -3.631 -6.057 -4.110 1.00 1.05 C ATOM 300 O LEU A 93 -3.952 -5.211 -3.270 1.00 1.17 O ATOM 301 CB LEU A 93 -2.774 -6.295 -6.463 1.00 0.75 C ATOM 302 CG LEU A 93 -1.821 -5.741 -7.516 1.00 0.89 C ATOM 303 CD1 LEU A 93 -1.783 -6.644 -8.723 1.00 1.49 C ATOM 304 CD2 LEU A 93 -2.233 -4.334 -7.916 1.00 1.23 C ATOM 0 H LEU A 93 -0.377 -5.815 -4.935 1.00 0.74 H new ATOM 0 HA LEU A 93 -2.333 -4.730 -5.037 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -2.735 -7.384 -6.484 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -3.794 -6.008 -6.718 1.00 0.75 H new ATOM 0 HG LEU A 93 -0.820 -5.699 -7.087 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -1.098 -6.232 -9.464 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -1.442 -7.636 -8.425 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -2.782 -6.718 -9.154 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -1.543 -3.953 -8.668 1.00 1.23 H new ATOM 0 HD22 LEU A 93 -3.243 -4.353 -8.326 1.00 1.23 H new ATOM 0 HD23 LEU A 93 -2.210 -3.685 -7.040 1.00 1.23 H new ATOM 316 N ASP A 94 -4.272 -7.200 -4.246 1.00 1.47 N ATOM 317 CA ASP A 94 -5.491 -7.481 -3.499 1.00 1.97 C ATOM 318 C ASP A 94 -5.361 -8.800 -2.762 1.00 1.17 C ATOM 319 O ASP A 94 -6.334 -9.330 -2.221 1.00 1.38 O ATOM 320 CB ASP A 94 -6.700 -7.524 -4.442 1.00 2.91 C ATOM 321 CG ASP A 94 -6.660 -8.699 -5.404 1.00 3.61 C ATOM 322 OD1 ASP A 94 -7.146 -9.792 -5.041 1.00 3.80 O ATOM 323 OD2 ASP A 94 -6.124 -8.541 -6.523 1.00 4.21 O ATOM 0 H ASP A 94 -3.973 -7.953 -4.866 1.00 1.47 H new ATOM 0 HA ASP A 94 -5.643 -6.683 -2.773 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -7.614 -7.577 -3.850 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -6.743 -6.596 -5.012 1.00 2.91 H new ATOM 328 N GLY A 95 -4.143 -9.303 -2.712 1.00 0.66 N ATOM 329 CA GLY A 95 -3.912 -10.612 -2.168 1.00 1.19 C ATOM 330 C GLY A 95 -3.193 -10.584 -0.845 1.00 1.02 C ATOM 331 O GLY A 95 -3.808 -10.379 0.200 1.00 1.18 O ATOM 0 H GLY A 95 -3.306 -8.822 -3.042 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -4.868 -11.121 -2.045 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -3.329 -11.197 -2.879 1.00 1.19 H new ATOM 335 N THR A 96 -1.890 -10.789 -0.884 1.00 0.83 N ATOM 336 CA THR A 96 -1.123 -10.981 0.323 1.00 0.83 C ATOM 337 C THR A 96 0.199 -10.210 0.293 1.00 0.62 C ATOM 338 O THR A 96 0.783 -10.008 -0.771 1.00 0.62 O ATOM 339 CB THR A 96 -0.835 -12.477 0.501 1.00 1.12 C ATOM 340 OG1 THR A 96 -2.058 -13.225 0.446 1.00 1.55 O ATOM 341 CG2 THR A 96 -0.142 -12.724 1.813 1.00 1.67 C ATOM 0 H THR A 96 -1.343 -10.826 -1.744 1.00 0.83 H new ATOM 0 HA THR A 96 -1.710 -10.599 1.158 1.00 0.83 H new ATOM 0 HB THR A 96 -0.182 -12.804 -0.308 1.00 1.12 H new ATOM 0 HG1 THR A 96 -1.863 -14.179 0.559 1.00 1.55 H new ATOM 0 HG21 THR A 96 0.056 -13.790 1.925 1.00 1.67 H new ATOM 0 HG22 THR A 96 0.800 -12.176 1.836 1.00 1.67 H new ATOM 0 HG23 THR A 96 -0.779 -12.385 2.630 1.00 1.67 H new ATOM 349 N VAL A 97 0.656 -9.775 1.467 1.00 0.56 N ATOM 350 CA VAL A 97 1.951 -9.119 1.594 1.00 0.46 C ATOM 351 C VAL A 97 3.092 -10.130 1.506 1.00 0.46 C ATOM 352 O VAL A 97 3.034 -11.209 2.094 1.00 0.57 O ATOM 353 CB VAL A 97 2.062 -8.309 2.904 1.00 0.54 C ATOM 354 CG1 VAL A 97 1.575 -9.131 4.069 1.00 0.69 C ATOM 355 CG2 VAL A 97 3.491 -7.837 3.145 1.00 0.96 C ATOM 0 H VAL A 97 0.144 -9.867 2.345 1.00 0.56 H new ATOM 0 HA VAL A 97 2.033 -8.422 0.760 1.00 0.46 H new ATOM 0 HB VAL A 97 1.431 -7.425 2.808 1.00 0.54 H new ATOM 0 HG11 VAL A 97 1.659 -8.548 4.986 1.00 0.69 H new ATOM 0 HG12 VAL A 97 0.533 -9.408 3.909 1.00 0.69 H new ATOM 0 HG13 VAL A 97 2.180 -10.033 4.156 1.00 0.69 H new ATOM 0 HG21 VAL A 97 3.535 -7.270 4.075 1.00 0.96 H new ATOM 0 HG22 VAL A 97 4.152 -8.701 3.215 1.00 0.96 H new ATOM 0 HG23 VAL A 97 3.809 -7.202 2.318 1.00 0.96 H new ATOM 365 N LYS A 98 4.112 -9.772 0.749 1.00 0.43 N ATOM 366 CA LYS A 98 5.279 -10.610 0.560 1.00 0.49 C ATOM 367 C LYS A 98 6.495 -9.938 1.184 1.00 0.45 C ATOM 368 O LYS A 98 6.623 -8.712 1.151 1.00 0.40 O ATOM 369 CB LYS A 98 5.529 -10.815 -0.934 1.00 0.56 C ATOM 370 CG LYS A 98 6.552 -11.894 -1.253 1.00 0.68 C ATOM 371 CD LYS A 98 5.990 -13.286 -1.014 1.00 1.20 C ATOM 372 CE LYS A 98 4.825 -13.582 -1.946 1.00 1.69 C ATOM 373 NZ LYS A 98 4.278 -14.950 -1.742 1.00 1.78 N ATOM 0 H LYS A 98 4.154 -8.886 0.245 1.00 0.43 H new ATOM 0 HA LYS A 98 5.108 -11.575 1.037 1.00 0.49 H new ATOM 0 HB2 LYS A 98 4.586 -11.070 -1.417 1.00 0.56 H new ATOM 0 HB3 LYS A 98 5.864 -9.873 -1.367 1.00 0.56 H new ATOM 0 HG2 LYS A 98 6.867 -11.802 -2.292 1.00 0.68 H new ATOM 0 HG3 LYS A 98 7.439 -11.748 -0.637 1.00 0.68 H new ATOM 0 HD2 LYS A 98 6.775 -14.027 -1.163 1.00 1.20 H new ATOM 0 HD3 LYS A 98 5.661 -13.374 0.021 1.00 1.20 H new ATOM 0 HE2 LYS A 98 4.035 -12.848 -1.783 1.00 1.69 H new ATOM 0 HE3 LYS A 98 5.152 -13.473 -2.980 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 3.486 -15.109 -2.398 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 5.023 -15.652 -1.923 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 3.941 -15.047 -0.763 1.00 1.78 H new ATOM 387 N THR A 99 7.372 -10.729 1.771 1.00 0.52 N ATOM 388 CA THR A 99 8.636 -10.214 2.257 1.00 0.55 C ATOM 389 C THR A 99 9.634 -10.114 1.106 1.00 0.54 C ATOM 390 O THR A 99 10.182 -11.122 0.651 1.00 0.65 O ATOM 391 CB THR A 99 9.216 -11.112 3.362 1.00 0.69 C ATOM 392 OG1 THR A 99 8.197 -11.409 4.328 1.00 0.78 O ATOM 393 CG2 THR A 99 10.395 -10.436 4.047 1.00 0.76 C ATOM 0 H THR A 99 7.233 -11.728 1.922 1.00 0.52 H new ATOM 0 HA THR A 99 8.456 -9.224 2.677 1.00 0.55 H new ATOM 0 HB THR A 99 9.568 -12.037 2.906 1.00 0.69 H new ATOM 0 HG1 THR A 99 8.569 -11.983 5.030 1.00 0.78 H new ATOM 0 HG21 THR A 99 10.788 -11.091 4.825 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.176 -10.235 3.313 1.00 0.76 H new ATOM 0 HG23 THR A 99 10.067 -9.498 4.494 1.00 0.76 H new ATOM 401 N ILE A 100 9.841 -8.902 0.621 1.00 0.47 N ATOM 402 CA ILE A 100 10.760 -8.660 -0.479 1.00 0.51 C ATOM 403 C ILE A 100 11.789 -7.616 -0.075 1.00 0.53 C ATOM 404 O ILE A 100 11.446 -6.603 0.534 1.00 0.55 O ATOM 405 CB ILE A 100 10.000 -8.187 -1.747 1.00 0.55 C ATOM 406 CG1 ILE A 100 9.192 -9.338 -2.354 1.00 0.62 C ATOM 407 CG2 ILE A 100 10.954 -7.607 -2.784 1.00 0.63 C ATOM 408 CD1 ILE A 100 10.044 -10.474 -2.876 1.00 1.06 C ATOM 0 H ILE A 100 9.381 -8.063 0.975 1.00 0.47 H new ATOM 0 HA ILE A 100 11.266 -9.597 -0.712 1.00 0.51 H new ATOM 0 HB ILE A 100 9.313 -7.398 -1.443 1.00 0.55 H new ATOM 0 HG12 ILE A 100 8.508 -9.726 -1.600 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.581 -8.950 -3.169 1.00 0.62 H new ATOM 0 HG21 ILE A 100 10.389 -7.286 -3.659 1.00 0.63 H new ATOM 0 HG22 ILE A 100 11.479 -6.752 -2.357 1.00 0.63 H new ATOM 0 HG23 ILE A 100 11.677 -8.367 -3.079 1.00 0.63 H new ATOM 0 HD11 ILE A 100 9.401 -11.251 -3.290 1.00 1.06 H new ATOM 0 HD12 ILE A 100 10.710 -10.101 -3.654 1.00 1.06 H new ATOM 0 HD13 ILE A 100 10.636 -10.890 -2.060 1.00 1.06 H new ATOM 420 N MET A 101 13.051 -7.870 -0.383 1.00 0.61 N ATOM 421 CA MET A 101 14.088 -6.894 -0.116 1.00 0.68 C ATOM 422 C MET A 101 14.115 -5.871 -1.233 1.00 0.76 C ATOM 423 O MET A 101 13.746 -6.168 -2.370 1.00 0.88 O ATOM 424 CB MET A 101 15.470 -7.552 0.066 1.00 0.79 C ATOM 425 CG MET A 101 15.991 -8.353 -1.130 1.00 1.18 C ATOM 426 SD MET A 101 16.475 -7.345 -2.553 1.00 1.64 S ATOM 427 CE MET A 101 17.552 -6.140 -1.780 1.00 1.04 C ATOM 0 H MET A 101 13.377 -8.735 -0.814 1.00 0.61 H new ATOM 0 HA MET A 101 13.855 -6.396 0.825 1.00 0.68 H new ATOM 0 HB2 MET A 101 16.195 -6.772 0.300 1.00 0.79 H new ATOM 0 HB3 MET A 101 15.425 -8.214 0.930 1.00 0.79 H new ATOM 0 HG2 MET A 101 16.850 -8.943 -0.810 1.00 1.18 H new ATOM 0 HG3 MET A 101 15.220 -9.056 -1.444 1.00 1.18 H new ATOM 0 HE1 MET A 101 17.997 -5.505 -2.546 1.00 1.04 H new ATOM 0 HE2 MET A 101 16.974 -5.525 -1.090 1.00 1.04 H new ATOM 0 HE3 MET A 101 18.341 -6.656 -1.233 1.00 1.04 H new ATOM 437 N VAL A 102 14.516 -4.662 -0.910 1.00 0.79 N ATOM 438 CA VAL A 102 14.616 -3.627 -1.913 1.00 0.95 C ATOM 439 C VAL A 102 16.012 -3.031 -1.916 1.00 1.08 C ATOM 440 O VAL A 102 16.616 -2.829 -0.859 1.00 1.09 O ATOM 441 CB VAL A 102 13.556 -2.515 -1.712 1.00 1.00 C ATOM 442 CG1 VAL A 102 12.203 -3.121 -1.396 1.00 1.51 C ATOM 443 CG2 VAL A 102 13.959 -1.553 -0.616 1.00 1.14 C ATOM 0 H VAL A 102 14.776 -4.373 0.033 1.00 0.79 H new ATOM 0 HA VAL A 102 14.420 -4.090 -2.880 1.00 0.95 H new ATOM 0 HB VAL A 102 13.489 -1.955 -2.645 1.00 1.00 H new ATOM 0 HG11 VAL A 102 11.471 -2.325 -1.258 1.00 1.51 H new ATOM 0 HG12 VAL A 102 11.890 -3.763 -2.220 1.00 1.51 H new ATOM 0 HG13 VAL A 102 12.273 -3.712 -0.483 1.00 1.51 H new ATOM 0 HG21 VAL A 102 13.192 -0.787 -0.504 1.00 1.14 H new ATOM 0 HG22 VAL A 102 14.070 -2.096 0.322 1.00 1.14 H new ATOM 0 HG23 VAL A 102 14.907 -1.082 -0.876 1.00 1.14 H new ATOM 453 N ASP A 103 16.538 -2.809 -3.104 1.00 1.23 N ATOM 454 CA ASP A 103 17.816 -2.140 -3.266 1.00 1.37 C ATOM 455 C ASP A 103 17.548 -0.653 -3.430 1.00 1.31 C ATOM 456 O ASP A 103 17.645 -0.097 -4.526 1.00 2.05 O ATOM 457 CB ASP A 103 18.555 -2.719 -4.478 1.00 1.53 C ATOM 458 CG ASP A 103 20.019 -2.317 -4.556 1.00 1.82 C ATOM 459 OD1 ASP A 103 20.312 -1.225 -5.096 1.00 2.12 O ATOM 460 OD2 ASP A 103 20.880 -3.065 -4.042 1.00 1.99 O ATOM 0 H ASP A 103 16.096 -3.085 -3.981 1.00 1.23 H new ATOM 0 HA ASP A 103 18.452 -2.295 -2.395 1.00 1.37 H new ATOM 0 HB2 ASP A 103 18.488 -3.806 -4.447 1.00 1.53 H new ATOM 0 HB3 ASP A 103 18.050 -2.395 -5.388 1.00 1.53 H new ATOM 465 N ASP A 104 17.141 -0.031 -2.332 1.00 0.88 N ATOM 466 CA ASP A 104 16.672 1.347 -2.365 1.00 1.00 C ATOM 467 C ASP A 104 17.833 2.328 -2.376 1.00 1.19 C ATOM 468 O ASP A 104 18.835 2.141 -1.682 1.00 1.92 O ATOM 469 CB ASP A 104 15.729 1.647 -1.187 1.00 1.84 C ATOM 470 CG ASP A 104 16.406 1.615 0.173 1.00 2.59 C ATOM 471 OD1 ASP A 104 16.465 0.535 0.797 1.00 2.95 O ATOM 472 OD2 ASP A 104 16.845 2.680 0.652 1.00 3.23 O ATOM 0 H ASP A 104 17.126 -0.460 -1.407 1.00 0.88 H new ATOM 0 HA ASP A 104 16.111 1.473 -3.291 1.00 1.00 H new ATOM 0 HB2 ASP A 104 15.281 2.630 -1.335 1.00 1.84 H new ATOM 0 HB3 ASP A 104 14.915 0.922 -1.193 1.00 1.84 H new ATOM 477 N SER A 105 17.700 3.360 -3.191 1.00 1.46 N ATOM 478 CA SER A 105 18.720 4.385 -3.292 1.00 2.15 C ATOM 479 C SER A 105 18.112 5.737 -3.654 1.00 1.93 C ATOM 480 O SER A 105 18.501 6.769 -3.104 1.00 2.30 O ATOM 481 CB SER A 105 19.770 3.969 -4.326 1.00 2.94 C ATOM 482 OG SER A 105 19.160 3.475 -5.511 1.00 3.13 O ATOM 0 H SER A 105 16.891 3.509 -3.794 1.00 1.46 H new ATOM 0 HA SER A 105 19.200 4.492 -2.319 1.00 2.15 H new ATOM 0 HB2 SER A 105 20.403 4.823 -4.569 1.00 2.94 H new ATOM 0 HB3 SER A 105 20.418 3.202 -3.901 1.00 2.94 H new ATOM 0 HG SER A 105 18.188 3.580 -5.447 1.00 3.13 H new ATOM 488 N LYS A 106 17.145 5.726 -4.562 1.00 1.65 N ATOM 489 CA LYS A 106 16.549 6.961 -5.051 1.00 1.78 C ATOM 490 C LYS A 106 15.100 7.102 -4.578 1.00 1.42 C ATOM 491 O LYS A 106 14.770 6.735 -3.448 1.00 2.04 O ATOM 492 CB LYS A 106 16.618 7.006 -6.582 1.00 2.36 C ATOM 493 CG LYS A 106 18.011 6.774 -7.148 1.00 2.91 C ATOM 494 CD LYS A 106 18.080 7.107 -8.632 1.00 3.40 C ATOM 495 CE LYS A 106 17.130 6.252 -9.462 1.00 4.35 C ATOM 496 NZ LYS A 106 17.536 4.820 -9.498 1.00 4.92 N ATOM 0 H LYS A 106 16.758 4.877 -4.974 1.00 1.65 H new ATOM 0 HA LYS A 106 17.116 7.798 -4.644 1.00 1.78 H new ATOM 0 HB2 LYS A 106 15.943 6.253 -6.988 1.00 2.36 H new ATOM 0 HB3 LYS A 106 16.256 7.976 -6.923 1.00 2.36 H new ATOM 0 HG2 LYS A 106 18.731 7.386 -6.604 1.00 2.91 H new ATOM 0 HG3 LYS A 106 18.297 5.733 -6.995 1.00 2.91 H new ATOM 0 HD2 LYS A 106 17.838 8.160 -8.777 1.00 3.40 H new ATOM 0 HD3 LYS A 106 19.100 6.962 -8.987 1.00 3.40 H new ATOM 0 HE2 LYS A 106 16.123 6.331 -9.052 1.00 4.35 H new ATOM 0 HE3 LYS A 106 17.091 6.641 -10.479 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 17.598 4.502 -10.486 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 18.463 4.710 -9.040 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 16.830 4.246 -8.993 1.00 4.92 H new ATOM 510 N THR A 107 14.256 7.647 -5.449 1.00 1.10 N ATOM 511 CA THR A 107 12.847 7.916 -5.148 1.00 0.79 C ATOM 512 C THR A 107 12.046 6.654 -4.815 1.00 0.61 C ATOM 513 O THR A 107 12.555 5.533 -4.892 1.00 0.63 O ATOM 514 CB THR A 107 12.180 8.601 -6.352 1.00 0.92 C ATOM 515 OG1 THR A 107 12.591 7.952 -7.563 1.00 1.28 O ATOM 516 CG2 THR A 107 12.531 10.080 -6.404 1.00 1.08 C ATOM 0 H THR A 107 14.530 7.918 -6.393 1.00 1.10 H new ATOM 0 HA THR A 107 12.842 8.558 -4.267 1.00 0.79 H new ATOM 0 HB THR A 107 11.099 8.517 -6.243 1.00 0.92 H new ATOM 0 HG1 THR A 107 12.296 8.480 -8.334 1.00 1.28 H new ATOM 0 HG21 THR A 107 12.046 10.539 -7.265 1.00 1.08 H new ATOM 0 HG22 THR A 107 12.188 10.568 -5.492 1.00 1.08 H new ATOM 0 HG23 THR A 107 13.611 10.195 -6.492 1.00 1.08 H new ATOM 524 N VAL A 108 10.773 6.856 -4.460 1.00 0.57 N ATOM 525 CA VAL A 108 9.832 5.750 -4.291 1.00 0.44 C ATOM 526 C VAL A 108 9.777 4.928 -5.575 1.00 0.41 C ATOM 527 O VAL A 108 9.570 3.717 -5.551 1.00 0.40 O ATOM 528 CB VAL A 108 8.411 6.262 -3.940 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.409 5.119 -3.881 1.00 0.35 C ATOM 530 CG2 VAL A 108 8.419 7.014 -2.620 1.00 0.56 C ATOM 0 H VAL A 108 10.373 7.778 -4.284 1.00 0.57 H new ATOM 0 HA VAL A 108 10.181 5.131 -3.465 1.00 0.44 H new ATOM 0 HB VAL A 108 8.105 6.945 -4.733 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.423 5.512 -3.633 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.368 4.621 -4.850 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.717 4.404 -3.118 1.00 0.35 H new ATOM 0 HG21 VAL A 108 7.412 7.364 -2.394 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.759 6.350 -1.825 1.00 0.56 H new ATOM 0 HG23 VAL A 108 9.092 7.868 -2.692 1.00 0.56 H new ATOM 540 N THR A 109 9.981 5.610 -6.695 1.00 0.46 N ATOM 541 CA THR A 109 10.082 4.984 -7.986 1.00 0.53 C ATOM 542 C THR A 109 11.166 3.912 -7.986 1.00 0.56 C ATOM 543 O THR A 109 10.901 2.745 -8.274 1.00 0.63 O ATOM 544 CB THR A 109 10.431 6.057 -9.021 1.00 0.67 C ATOM 545 OG1 THR A 109 9.467 7.113 -8.974 1.00 1.39 O ATOM 546 CG2 THR A 109 10.479 5.473 -10.403 1.00 1.15 C ATOM 0 H THR A 109 10.081 6.625 -6.721 1.00 0.46 H new ATOM 0 HA THR A 109 9.131 4.510 -8.229 1.00 0.53 H new ATOM 0 HB THR A 109 11.417 6.456 -8.781 1.00 0.67 H new ATOM 0 HG1 THR A 109 9.698 7.796 -9.638 1.00 1.39 H new ATOM 0 HG21 THR A 109 10.729 6.255 -11.120 1.00 1.15 H new ATOM 0 HG22 THR A 109 11.237 4.690 -10.441 1.00 1.15 H new ATOM 0 HG23 THR A 109 9.506 5.049 -10.653 1.00 1.15 H new ATOM 554 N ASP A 110 12.375 4.332 -7.632 1.00 0.60 N ATOM 555 CA ASP A 110 13.548 3.460 -7.584 1.00 0.68 C ATOM 556 C ASP A 110 13.303 2.242 -6.699 1.00 0.58 C ATOM 557 O ASP A 110 13.654 1.113 -7.053 1.00 0.60 O ATOM 558 CB ASP A 110 14.738 4.267 -7.061 1.00 0.87 C ATOM 559 CG ASP A 110 15.987 3.441 -6.836 1.00 1.58 C ATOM 560 OD1 ASP A 110 16.575 2.965 -7.826 1.00 1.72 O ATOM 561 OD2 ASP A 110 16.407 3.300 -5.668 1.00 2.48 O ATOM 0 H ASP A 110 12.573 5.297 -7.367 1.00 0.60 H new ATOM 0 HA ASP A 110 13.757 3.093 -8.589 1.00 0.68 H new ATOM 0 HB2 ASP A 110 14.964 5.064 -7.770 1.00 0.87 H new ATOM 0 HB3 ASP A 110 14.456 4.745 -6.123 1.00 0.87 H new ATOM 566 N MET A 111 12.680 2.473 -5.557 1.00 0.54 N ATOM 567 CA MET A 111 12.393 1.402 -4.615 1.00 0.51 C ATOM 568 C MET A 111 11.319 0.462 -5.163 1.00 0.42 C ATOM 569 O MET A 111 11.522 -0.751 -5.241 1.00 0.46 O ATOM 570 CB MET A 111 11.942 1.988 -3.277 1.00 0.53 C ATOM 571 CG MET A 111 11.726 0.942 -2.196 1.00 0.59 C ATOM 572 SD MET A 111 11.159 1.658 -0.641 1.00 0.71 S ATOM 573 CE MET A 111 12.456 2.853 -0.325 1.00 0.82 C ATOM 0 H MET A 111 12.362 3.395 -5.258 1.00 0.54 H new ATOM 0 HA MET A 111 13.306 0.826 -4.466 1.00 0.51 H new ATOM 0 HB2 MET A 111 12.688 2.704 -2.934 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.015 2.541 -3.426 1.00 0.53 H new ATOM 0 HG2 MET A 111 10.995 0.212 -2.543 1.00 0.59 H new ATOM 0 HG3 MET A 111 12.658 0.404 -2.025 1.00 0.59 H new ATOM 0 HE1 MET A 111 12.266 3.354 0.624 1.00 0.82 H new ATOM 0 HE2 MET A 111 13.418 2.342 -0.279 1.00 0.82 H new ATOM 0 HE3 MET A 111 12.474 3.591 -1.127 1.00 0.82 H new ATOM 583 N LEU A 112 10.190 1.032 -5.565 1.00 0.36 N ATOM 584 CA LEU A 112 9.034 0.241 -5.969 1.00 0.34 C ATOM 585 C LEU A 112 9.239 -0.472 -7.298 1.00 0.38 C ATOM 586 O LEU A 112 8.702 -1.561 -7.497 1.00 0.37 O ATOM 587 CB LEU A 112 7.770 1.105 -6.026 1.00 0.34 C ATOM 588 CG LEU A 112 6.937 1.113 -4.742 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.419 -0.285 -4.444 1.00 0.79 C ATOM 590 CD2 LEU A 112 7.748 1.637 -3.565 1.00 0.45 C ATOM 0 H LEU A 112 10.050 2.041 -5.620 1.00 0.36 H new ATOM 0 HA LEU A 112 8.910 -0.528 -5.206 1.00 0.34 H new ATOM 0 HB2 LEU A 112 8.058 2.130 -6.261 1.00 0.34 H new ATOM 0 HB3 LEU A 112 7.144 0.754 -6.846 1.00 0.34 H new ATOM 0 HG LEU A 112 6.089 1.781 -4.892 1.00 0.42 H new ATOM 0 HD11 LEU A 112 5.828 -0.267 -3.528 1.00 0.79 H new ATOM 0 HD12 LEU A 112 5.796 -0.626 -5.271 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.261 -0.966 -4.319 1.00 0.79 H new ATOM 0 HD21 LEU A 112 7.131 1.631 -2.667 1.00 0.45 H new ATOM 0 HD22 LEU A 112 8.619 1.000 -3.411 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.076 2.655 -3.774 1.00 0.45 H new ATOM 602 N MET A 113 10.009 0.118 -8.209 1.00 0.44 N ATOM 603 CA MET A 113 10.243 -0.518 -9.505 1.00 0.50 C ATOM 604 C MET A 113 11.025 -1.811 -9.313 1.00 0.50 C ATOM 605 O MET A 113 10.835 -2.780 -10.044 1.00 0.54 O ATOM 606 CB MET A 113 10.980 0.414 -10.477 1.00 0.60 C ATOM 607 CG MET A 113 12.421 0.714 -10.096 1.00 0.64 C ATOM 608 SD MET A 113 13.278 1.692 -11.347 1.00 1.07 S ATOM 609 CE MET A 113 13.192 0.580 -12.753 1.00 2.09 C ATOM 0 H MET A 113 10.474 1.017 -8.080 1.00 0.44 H new ATOM 0 HA MET A 113 9.272 -0.743 -9.947 1.00 0.50 H new ATOM 0 HB2 MET A 113 10.966 -0.034 -11.470 1.00 0.60 H new ATOM 0 HB3 MET A 113 10.432 1.354 -10.544 1.00 0.60 H new ATOM 0 HG2 MET A 113 12.438 1.249 -9.147 1.00 0.64 H new ATOM 0 HG3 MET A 113 12.956 -0.224 -9.943 1.00 0.64 H new ATOM 0 HE1 MET A 113 14.000 0.809 -13.448 1.00 2.09 H new ATOM 0 HE2 MET A 113 13.290 -0.450 -12.409 1.00 2.09 H new ATOM 0 HE3 MET A 113 12.234 0.704 -13.257 1.00 2.09 H new ATOM 619 N THR A 114 11.884 -1.822 -8.302 1.00 0.47 N ATOM 620 CA THR A 114 12.621 -3.015 -7.937 1.00 0.48 C ATOM 621 C THR A 114 11.655 -4.091 -7.439 1.00 0.41 C ATOM 622 O THR A 114 11.647 -5.212 -7.941 1.00 0.42 O ATOM 623 CB THR A 114 13.662 -2.695 -6.845 1.00 0.54 C ATOM 624 OG1 THR A 114 14.493 -1.607 -7.276 1.00 0.65 O ATOM 625 CG2 THR A 114 14.530 -3.908 -6.537 1.00 0.54 C ATOM 0 H THR A 114 12.085 -1.010 -7.719 1.00 0.47 H new ATOM 0 HA THR A 114 13.146 -3.384 -8.818 1.00 0.48 H new ATOM 0 HB THR A 114 13.128 -2.418 -5.936 1.00 0.54 H new ATOM 0 HG1 THR A 114 14.029 -0.758 -7.118 1.00 0.65 H new ATOM 0 HG21 THR A 114 15.254 -3.651 -5.764 1.00 0.54 H new ATOM 0 HG22 THR A 114 13.901 -4.726 -6.187 1.00 0.54 H new ATOM 0 HG23 THR A 114 15.058 -4.216 -7.440 1.00 0.54 H new ATOM 633 N ILE A 115 10.825 -3.713 -6.474 1.00 0.36 N ATOM 634 CA ILE A 115 9.799 -4.589 -5.911 1.00 0.35 C ATOM 635 C ILE A 115 8.902 -5.173 -7.000 1.00 0.34 C ATOM 636 O ILE A 115 8.637 -6.374 -7.023 1.00 0.36 O ATOM 637 CB ILE A 115 8.917 -3.817 -4.908 1.00 0.36 C ATOM 638 CG1 ILE A 115 9.782 -3.213 -3.801 1.00 0.40 C ATOM 639 CG2 ILE A 115 7.853 -4.733 -4.319 1.00 0.40 C ATOM 640 CD1 ILE A 115 9.029 -2.289 -2.869 1.00 0.43 C ATOM 0 H ILE A 115 10.844 -2.783 -6.055 1.00 0.36 H new ATOM 0 HA ILE A 115 10.317 -5.402 -5.403 1.00 0.35 H new ATOM 0 HB ILE A 115 8.414 -3.007 -5.436 1.00 0.36 H new ATOM 0 HG12 ILE A 115 10.224 -4.021 -3.217 1.00 0.40 H new ATOM 0 HG13 ILE A 115 10.605 -2.662 -4.256 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.240 -4.172 -3.614 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.223 -5.120 -5.119 1.00 0.40 H new ATOM 0 HG23 ILE A 115 8.334 -5.563 -3.802 1.00 0.40 H new ATOM 0 HD11 ILE A 115 9.711 -1.901 -2.112 1.00 0.43 H new ATOM 0 HD12 ILE A 115 8.610 -1.460 -3.439 1.00 0.43 H new ATOM 0 HD13 ILE A 115 8.223 -2.839 -2.384 1.00 0.43 H new ATOM 652 N CYS A 116 8.448 -4.319 -7.905 1.00 0.37 N ATOM 653 CA CYS A 116 7.567 -4.748 -8.980 1.00 0.44 C ATOM 654 C CYS A 116 8.296 -5.692 -9.929 1.00 0.45 C ATOM 655 O CYS A 116 7.693 -6.593 -10.505 1.00 0.51 O ATOM 656 CB CYS A 116 7.016 -3.540 -9.733 1.00 0.55 C ATOM 657 SG CYS A 116 6.127 -2.377 -8.673 1.00 1.30 S ATOM 0 H CYS A 116 8.675 -3.325 -7.916 1.00 0.37 H new ATOM 0 HA CYS A 116 6.728 -5.290 -8.543 1.00 0.44 H new ATOM 0 HB2 CYS A 116 7.840 -3.019 -10.221 1.00 0.55 H new ATOM 0 HB3 CYS A 116 6.347 -3.887 -10.521 1.00 0.55 H new ATOM 0 HG CYS A 116 6.974 -1.746 -7.915 1.00 1.30 H new ATOM 663 N ALA A 117 9.599 -5.500 -10.071 1.00 0.45 N ATOM 664 CA ALA A 117 10.416 -6.397 -10.876 1.00 0.50 C ATOM 665 C ALA A 117 10.565 -7.745 -10.184 1.00 0.45 C ATOM 666 O ALA A 117 10.754 -8.770 -10.834 1.00 0.51 O ATOM 667 CB ALA A 117 11.777 -5.778 -11.149 1.00 0.58 C ATOM 0 H ALA A 117 10.113 -4.732 -9.640 1.00 0.45 H new ATOM 0 HA ALA A 117 9.917 -6.556 -11.832 1.00 0.50 H new ATOM 0 HB1 ALA A 117 12.374 -6.463 -11.752 1.00 0.58 H new ATOM 0 HB2 ALA A 117 11.648 -4.839 -11.687 1.00 0.58 H new ATOM 0 HB3 ALA A 117 12.286 -5.588 -10.204 1.00 0.58 H new ATOM 673 N ARG A 118 10.471 -7.741 -8.858 1.00 0.41 N ATOM 674 CA ARG A 118 10.569 -8.971 -8.080 1.00 0.45 C ATOM 675 C ARG A 118 9.308 -9.818 -8.259 1.00 0.51 C ATOM 676 O ARG A 118 9.332 -11.033 -8.064 1.00 0.62 O ATOM 677 CB ARG A 118 10.758 -8.667 -6.584 1.00 0.47 C ATOM 678 CG ARG A 118 11.831 -7.629 -6.270 1.00 0.46 C ATOM 679 CD ARG A 118 13.199 -8.036 -6.797 1.00 0.53 C ATOM 680 NE ARG A 118 13.843 -9.040 -5.949 1.00 1.33 N ATOM 681 CZ ARG A 118 15.015 -9.613 -6.226 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.643 -9.344 -7.366 1.00 1.63 N ATOM 683 NH2 ARG A 118 15.550 -10.462 -5.358 1.00 2.63 N ATOM 0 H ARG A 118 10.327 -6.900 -8.300 1.00 0.41 H new ATOM 0 HA ARG A 118 11.437 -9.521 -8.444 1.00 0.45 H new ATOM 0 HB2 ARG A 118 9.808 -8.321 -6.176 1.00 0.47 H new ATOM 0 HB3 ARG A 118 11.008 -9.594 -6.069 1.00 0.47 H new ATOM 0 HG2 ARG A 118 11.546 -6.672 -6.706 1.00 0.46 H new ATOM 0 HG3 ARG A 118 11.888 -7.483 -5.191 1.00 0.46 H new ATOM 0 HD2 ARG A 118 13.094 -8.430 -7.808 1.00 0.53 H new ATOM 0 HD3 ARG A 118 13.838 -7.155 -6.863 1.00 0.53 H new ATOM 0 HE ARG A 118 13.365 -9.319 -5.092 1.00 1.33 H new ATOM 0 HH11 ARG A 118 15.229 -8.696 -8.036 1.00 1.63 H new ATOM 0 HH12 ARG A 118 16.539 -9.786 -7.571 1.00 1.63 H new ATOM 0 HH21 ARG A 118 15.065 -10.673 -4.486 1.00 2.63 H new ATOM 0 HH22 ARG A 118 16.446 -10.904 -5.563 1.00 2.63 H new ATOM 697 N ILE A 119 8.208 -9.168 -8.632 1.00 0.53 N ATOM 698 CA ILE A 119 6.918 -9.843 -8.739 1.00 0.68 C ATOM 699 C ILE A 119 6.400 -9.877 -10.178 1.00 0.67 C ATOM 700 O ILE A 119 5.308 -10.386 -10.437 1.00 0.91 O ATOM 701 CB ILE A 119 5.860 -9.174 -7.836 1.00 0.80 C ATOM 702 CG1 ILE A 119 5.720 -7.688 -8.190 1.00 0.80 C ATOM 703 CG2 ILE A 119 6.231 -9.350 -6.370 1.00 0.80 C ATOM 704 CD1 ILE A 119 4.703 -6.948 -7.348 1.00 1.05 C ATOM 0 H ILE A 119 8.185 -8.175 -8.865 1.00 0.53 H new ATOM 0 HA ILE A 119 7.083 -10.868 -8.408 1.00 0.68 H new ATOM 0 HB ILE A 119 4.897 -9.656 -8.005 1.00 0.80 H new ATOM 0 HG12 ILE A 119 6.691 -7.205 -8.077 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.441 -7.600 -9.240 1.00 0.80 H new ATOM 0 HG21 ILE A 119 5.477 -8.874 -5.744 1.00 0.80 H new ATOM 0 HG22 ILE A 119 6.281 -10.413 -6.132 1.00 0.80 H new ATOM 0 HG23 ILE A 119 7.201 -8.890 -6.182 1.00 0.80 H new ATOM 0 HD11 ILE A 119 4.663 -5.904 -7.659 1.00 1.05 H new ATOM 0 HD12 ILE A 119 3.721 -7.404 -7.479 1.00 1.05 H new ATOM 0 HD13 ILE A 119 4.991 -7.003 -6.298 1.00 1.05 H new ATOM 716 N GLY A 120 7.170 -9.326 -11.107 1.00 0.54 N ATOM 717 CA GLY A 120 6.801 -9.397 -12.511 1.00 0.58 C ATOM 718 C GLY A 120 5.722 -8.399 -12.899 1.00 0.67 C ATOM 719 O GLY A 120 4.834 -8.711 -13.689 1.00 1.03 O ATOM 0 H GLY A 120 8.042 -8.832 -10.916 1.00 0.54 H new ATOM 0 HA2 GLY A 120 7.686 -9.221 -13.122 1.00 0.58 H new ATOM 0 HA3 GLY A 120 6.453 -10.405 -12.738 1.00 0.58 H new ATOM 723 N ILE A 121 5.791 -7.206 -12.335 1.00 0.55 N ATOM 724 CA ILE A 121 4.885 -6.128 -12.698 1.00 0.63 C ATOM 725 C ILE A 121 5.683 -4.975 -13.300 1.00 0.83 C ATOM 726 O ILE A 121 6.658 -4.509 -12.705 1.00 1.29 O ATOM 727 CB ILE A 121 4.072 -5.642 -11.474 1.00 0.53 C ATOM 728 CG1 ILE A 121 3.099 -6.738 -11.021 1.00 0.73 C ATOM 729 CG2 ILE A 121 3.323 -4.352 -11.784 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.231 -6.343 -9.845 1.00 0.60 C ATOM 0 H ILE A 121 6.471 -6.957 -11.617 1.00 0.55 H new ATOM 0 HA ILE A 121 4.176 -6.503 -13.436 1.00 0.63 H new ATOM 0 HB ILE A 121 4.769 -5.431 -10.663 1.00 0.53 H new ATOM 0 HG12 ILE A 121 2.457 -7.008 -11.859 1.00 0.73 H new ATOM 0 HG13 ILE A 121 3.669 -7.629 -10.756 1.00 0.73 H new ATOM 0 HG21 ILE A 121 2.762 -4.037 -10.904 1.00 0.64 H new ATOM 0 HG22 ILE A 121 4.036 -3.574 -12.058 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.635 -4.521 -12.612 1.00 0.64 H new ATOM 0 HD11 ILE A 121 1.571 -7.171 -9.585 1.00 0.60 H new ATOM 0 HD12 ILE A 121 2.864 -6.102 -8.991 1.00 0.60 H new ATOM 0 HD13 ILE A 121 1.632 -5.472 -10.111 1.00 0.60 H new ATOM 742 N THR A 122 5.296 -4.535 -14.489 1.00 1.51 N ATOM 743 CA THR A 122 6.038 -3.496 -15.185 1.00 1.86 C ATOM 744 C THR A 122 5.097 -2.425 -15.740 1.00 1.60 C ATOM 745 O THR A 122 4.907 -2.324 -16.953 1.00 1.93 O ATOM 746 CB THR A 122 6.868 -4.094 -16.337 1.00 2.48 C ATOM 747 OG1 THR A 122 7.417 -5.361 -15.939 1.00 2.82 O ATOM 748 CG2 THR A 122 8.000 -3.157 -16.733 1.00 2.94 C ATOM 0 H THR A 122 4.477 -4.880 -14.989 1.00 1.51 H new ATOM 0 HA THR A 122 6.710 -3.035 -14.461 1.00 1.86 H new ATOM 0 HB THR A 122 6.209 -4.231 -17.195 1.00 2.48 H new ATOM 0 HG1 THR A 122 7.942 -5.736 -16.677 1.00 2.82 H new ATOM 0 HG21 THR A 122 8.572 -3.601 -17.548 1.00 2.94 H new ATOM 0 HG22 THR A 122 7.586 -2.203 -17.058 1.00 2.94 H new ATOM 0 HG23 THR A 122 8.655 -2.995 -15.877 1.00 2.94 H new ATOM 756 N ASN A 123 4.497 -1.647 -14.841 1.00 1.70 N ATOM 757 CA ASN A 123 3.578 -0.571 -15.221 1.00 1.62 C ATOM 758 C ASN A 123 3.043 0.127 -13.976 1.00 1.70 C ATOM 759 O ASN A 123 2.715 -0.520 -12.982 1.00 2.45 O ATOM 760 CB ASN A 123 2.417 -1.103 -16.086 1.00 2.23 C ATOM 761 CG ASN A 123 1.575 -2.160 -15.393 1.00 2.56 C ATOM 762 OD1 ASN A 123 1.929 -3.339 -15.372 1.00 3.04 O ATOM 763 ND2 ASN A 123 0.432 -1.757 -14.869 1.00 2.99 N ATOM 0 H ASN A 123 4.632 -1.742 -13.834 1.00 1.70 H new ATOM 0 HA ASN A 123 4.132 0.152 -15.820 1.00 1.62 H new ATOM 0 HB2 ASN A 123 1.776 -0.269 -16.370 1.00 2.23 H new ATOM 0 HB3 ASN A 123 2.823 -1.521 -17.007 1.00 2.23 H new ATOM 0 HD21 ASN A 123 -0.192 -2.432 -14.427 1.00 2.99 H new ATOM 0 HD22 ASN A 123 0.174 -0.771 -14.906 1.00 2.99 H new ATOM 770 N HIS A 124 2.983 1.454 -14.022 1.00 1.79 N ATOM 771 CA HIS A 124 2.541 2.241 -12.875 1.00 2.42 C ATOM 772 C HIS A 124 1.676 3.425 -13.285 1.00 1.95 C ATOM 773 O HIS A 124 1.412 4.309 -12.474 1.00 2.58 O ATOM 774 CB HIS A 124 3.737 2.744 -12.065 1.00 3.50 C ATOM 775 CG HIS A 124 4.231 1.755 -11.062 1.00 4.50 C ATOM 776 ND1 HIS A 124 3.656 1.605 -9.822 1.00 5.27 N ATOM 777 CD2 HIS A 124 5.239 0.859 -11.120 1.00 5.23 C ATOM 778 CE1 HIS A 124 4.291 0.659 -9.158 1.00 6.25 C ATOM 779 NE2 HIS A 124 5.256 0.187 -9.923 1.00 6.24 N ATOM 0 H HIS A 124 3.235 2.007 -14.841 1.00 1.79 H new ATOM 0 HA HIS A 124 1.935 1.576 -12.259 1.00 2.42 H new ATOM 0 HB2 HIS A 124 4.549 2.995 -12.747 1.00 3.50 H new ATOM 0 HB3 HIS A 124 3.457 3.663 -11.551 1.00 3.50 H new ATOM 0 HD2 HIS A 124 5.908 0.700 -11.953 1.00 5.23 H new ATOM 0 HE1 HIS A 124 4.060 0.327 -8.157 1.00 6.25 H new ATOM 0 HE2 HIS A 124 5.908 -0.555 -9.667 1.00 6.24 H new ATOM 788 N ASP A 125 1.228 3.449 -14.531 1.00 1.36 N ATOM 789 CA ASP A 125 0.322 4.503 -14.980 1.00 1.73 C ATOM 790 C ASP A 125 -1.001 4.404 -14.226 1.00 1.67 C ATOM 791 O ASP A 125 -1.532 5.399 -13.724 1.00 1.95 O ATOM 792 CB ASP A 125 0.079 4.405 -16.488 1.00 2.22 C ATOM 793 CG ASP A 125 -0.822 5.510 -17.003 1.00 3.00 C ATOM 794 OD1 ASP A 125 -0.325 6.636 -17.217 1.00 3.57 O ATOM 795 OD2 ASP A 125 -2.029 5.263 -17.191 1.00 3.47 O ATOM 0 H ASP A 125 1.471 2.761 -15.244 1.00 1.36 H new ATOM 0 HA ASP A 125 0.782 5.469 -14.771 1.00 1.73 H new ATOM 0 HB2 ASP A 125 1.035 4.447 -17.010 1.00 2.22 H new ATOM 0 HB3 ASP A 125 -0.369 3.438 -16.719 1.00 2.22 H new ATOM 800 N GLU A 126 -1.514 3.186 -14.136 1.00 1.58 N ATOM 801 CA GLU A 126 -2.735 2.914 -13.391 1.00 1.86 C ATOM 802 C GLU A 126 -2.397 2.509 -11.960 1.00 1.36 C ATOM 803 O GLU A 126 -3.229 2.608 -11.057 1.00 1.70 O ATOM 804 CB GLU A 126 -3.509 1.782 -14.064 1.00 2.55 C ATOM 805 CG GLU A 126 -3.760 2.004 -15.545 1.00 3.40 C ATOM 806 CD GLU A 126 -4.183 0.733 -16.249 1.00 4.27 C ATOM 807 OE1 GLU A 126 -3.385 -0.226 -16.294 1.00 4.72 O ATOM 808 OE2 GLU A 126 -5.330 0.683 -16.747 1.00 4.78 O ATOM 0 H GLU A 126 -1.099 2.363 -14.574 1.00 1.58 H new ATOM 0 HA GLU A 126 -3.345 3.817 -13.376 1.00 1.86 H new ATOM 0 HB2 GLU A 126 -2.957 0.851 -13.935 1.00 2.55 H new ATOM 0 HB3 GLU A 126 -4.466 1.658 -13.558 1.00 2.55 H new ATOM 0 HG2 GLU A 126 -4.533 2.762 -15.671 1.00 3.40 H new ATOM 0 HG3 GLU A 126 -2.854 2.392 -16.011 1.00 3.40 H new ATOM 815 N TYR A 127 -1.160 2.059 -11.767 1.00 0.80 N ATOM 816 CA TYR A 127 -0.738 1.489 -10.495 1.00 0.65 C ATOM 817 C TYR A 127 0.035 2.492 -9.654 1.00 0.67 C ATOM 818 O TYR A 127 1.160 2.867 -9.986 1.00 1.03 O ATOM 819 CB TYR A 127 0.137 0.255 -10.717 1.00 0.93 C ATOM 820 CG TYR A 127 -0.595 -0.951 -11.269 1.00 0.80 C ATOM 821 CD1 TYR A 127 -1.400 -0.852 -12.396 1.00 1.36 C ATOM 822 CD2 TYR A 127 -0.469 -2.194 -10.664 1.00 0.69 C ATOM 823 CE1 TYR A 127 -2.061 -1.951 -12.900 1.00 1.33 C ATOM 824 CE2 TYR A 127 -1.127 -3.302 -11.164 1.00 0.71 C ATOM 825 CZ TYR A 127 -1.923 -3.173 -12.282 1.00 0.74 C ATOM 826 OH TYR A 127 -2.584 -4.271 -12.784 1.00 0.83 O ATOM 0 H TYR A 127 -0.431 2.079 -12.480 1.00 0.80 H new ATOM 0 HA TYR A 127 -1.646 1.209 -9.961 1.00 0.65 H new ATOM 0 HB2 TYR A 127 0.944 0.517 -11.401 1.00 0.93 H new ATOM 0 HB3 TYR A 127 0.600 -0.021 -9.769 1.00 0.93 H new ATOM 0 HD1 TYR A 127 -1.510 0.104 -12.887 1.00 1.36 H new ATOM 0 HD2 TYR A 127 0.154 -2.297 -9.788 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -2.685 -1.854 -13.776 1.00 1.33 H new ATOM 0 HE2 TYR A 127 -1.018 -4.262 -10.682 1.00 0.71 H new ATOM 0 HH TYR A 127 -2.380 -5.056 -12.233 1.00 0.83 H new ATOM 836 N SER A 128 -0.557 2.892 -8.552 1.00 0.56 N ATOM 837 CA SER A 128 0.108 3.761 -7.601 1.00 0.59 C ATOM 838 C SER A 128 0.276 2.998 -6.292 1.00 0.48 C ATOM 839 O SER A 128 -0.171 1.854 -6.183 1.00 0.49 O ATOM 840 CB SER A 128 -0.692 5.053 -7.398 1.00 0.77 C ATOM 841 OG SER A 128 0.015 5.984 -6.593 1.00 1.44 O ATOM 0 H SER A 128 -1.506 2.628 -8.288 1.00 0.56 H new ATOM 0 HA SER A 128 1.089 4.051 -7.979 1.00 0.59 H new ATOM 0 HB2 SER A 128 -0.912 5.502 -8.367 1.00 0.77 H new ATOM 0 HB3 SER A 128 -1.649 4.820 -6.931 1.00 0.77 H new ATOM 0 HG SER A 128 -0.522 6.797 -6.485 1.00 1.44 H new ATOM 847 N LEU A 129 0.918 3.604 -5.310 1.00 0.45 N ATOM 848 CA LEU A 129 1.199 2.898 -4.076 1.00 0.40 C ATOM 849 C LEU A 129 0.395 3.490 -2.936 1.00 0.34 C ATOM 850 O LEU A 129 0.102 4.683 -2.926 1.00 0.37 O ATOM 851 CB LEU A 129 2.696 2.940 -3.734 1.00 0.46 C ATOM 852 CG LEU A 129 3.651 2.318 -4.766 1.00 0.58 C ATOM 853 CD1 LEU A 129 3.130 0.971 -5.246 1.00 1.02 C ATOM 854 CD2 LEU A 129 3.890 3.259 -5.940 1.00 1.31 C ATOM 0 H LEU A 129 1.250 4.568 -5.342 1.00 0.45 H new ATOM 0 HA LEU A 129 0.911 1.856 -4.218 1.00 0.40 H new ATOM 0 HB2 LEU A 129 2.984 3.981 -3.586 1.00 0.46 H new ATOM 0 HB3 LEU A 129 2.843 2.431 -2.782 1.00 0.46 H new ATOM 0 HG LEU A 129 4.609 2.155 -4.273 1.00 0.58 H new ATOM 0 HD11 LEU A 129 3.823 0.552 -5.975 1.00 1.02 H new ATOM 0 HD12 LEU A 129 3.041 0.292 -4.398 1.00 1.02 H new ATOM 0 HD13 LEU A 129 2.152 1.103 -5.709 1.00 1.02 H new ATOM 0 HD21 LEU A 129 4.569 2.789 -6.651 1.00 1.31 H new ATOM 0 HD22 LEU A 129 2.942 3.475 -6.432 1.00 1.31 H new ATOM 0 HD23 LEU A 129 4.330 4.188 -5.578 1.00 1.31 H new ATOM 866 N VAL A 130 0.018 2.658 -1.984 1.00 0.30 N ATOM 867 CA VAL A 130 -0.661 3.143 -0.801 1.00 0.27 C ATOM 868 C VAL A 130 0.092 2.688 0.440 1.00 0.31 C ATOM 869 O VAL A 130 0.669 1.598 0.469 1.00 0.34 O ATOM 870 CB VAL A 130 -2.148 2.677 -0.721 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.711 2.381 -2.099 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.324 1.474 0.189 1.00 0.66 C ATOM 0 H VAL A 130 0.170 1.650 -2.007 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.674 4.231 -0.859 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.709 3.505 -0.288 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.748 2.059 -2.007 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -2.664 3.281 -2.712 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -2.126 1.590 -2.569 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.375 1.186 0.213 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -1.729 0.642 -0.188 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -1.995 1.729 1.196 1.00 0.66 H new ATOM 882 N ARG A 131 0.127 3.542 1.442 1.00 0.37 N ATOM 883 CA ARG A 131 0.632 3.159 2.740 1.00 0.44 C ATOM 884 C ARG A 131 -0.427 2.350 3.454 1.00 0.48 C ATOM 885 O ARG A 131 -1.483 2.873 3.809 1.00 0.58 O ATOM 886 CB ARG A 131 0.991 4.388 3.566 1.00 0.53 C ATOM 887 CG ARG A 131 2.280 5.068 3.141 1.00 1.14 C ATOM 888 CD ARG A 131 2.544 6.296 3.991 1.00 1.21 C ATOM 889 NE ARG A 131 2.429 5.998 5.419 1.00 0.99 N ATOM 890 CZ ARG A 131 1.896 6.830 6.311 1.00 1.15 C ATOM 891 NH1 ARG A 131 1.452 8.022 5.930 1.00 1.84 N ATOM 892 NH2 ARG A 131 1.799 6.463 7.583 1.00 1.52 N ATOM 0 H ARG A 131 -0.190 4.509 1.380 1.00 0.37 H new ATOM 0 HA ARG A 131 1.536 2.563 2.612 1.00 0.44 H new ATOM 0 HB2 ARG A 131 0.175 5.107 3.500 1.00 0.53 H new ATOM 0 HB3 ARG A 131 1.075 4.097 4.613 1.00 0.53 H new ATOM 0 HG2 ARG A 131 3.112 4.370 3.233 1.00 1.14 H new ATOM 0 HG3 ARG A 131 2.217 5.353 2.091 1.00 1.14 H new ATOM 0 HD2 ARG A 131 3.542 6.679 3.778 1.00 1.21 H new ATOM 0 HD3 ARG A 131 1.837 7.082 3.725 1.00 1.21 H new ATOM 0 HE ARG A 131 2.778 5.099 5.751 1.00 0.99 H new ATOM 0 HH11 ARG A 131 1.519 8.302 4.952 1.00 1.84 H new ATOM 0 HH12 ARG A 131 1.044 8.657 6.616 1.00 1.84 H new ATOM 0 HH21 ARG A 131 2.133 5.545 7.876 1.00 1.52 H new ATOM 0 HH22 ARG A 131 1.391 7.099 8.268 1.00 1.52 H new ATOM 906 N GLU A 132 -0.153 1.077 3.634 1.00 0.47 N ATOM 907 CA GLU A 132 -1.089 0.178 4.267 1.00 0.57 C ATOM 908 C GLU A 132 -0.889 0.205 5.770 1.00 0.66 C ATOM 909 O GLU A 132 0.059 -0.387 6.293 1.00 0.75 O ATOM 910 CB GLU A 132 -0.901 -1.239 3.734 1.00 0.62 C ATOM 911 CG GLU A 132 -1.897 -2.240 4.283 1.00 1.02 C ATOM 912 CD GLU A 132 -1.567 -3.654 3.869 1.00 1.27 C ATOM 913 OE1 GLU A 132 -1.259 -3.874 2.680 1.00 1.26 O ATOM 914 OE2 GLU A 132 -1.594 -4.549 4.735 1.00 2.12 O ATOM 0 H GLU A 132 0.722 0.638 3.347 1.00 0.47 H new ATOM 0 HA GLU A 132 -2.104 0.502 4.038 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -0.981 -1.221 2.647 1.00 0.62 H new ATOM 0 HB3 GLU A 132 0.107 -1.576 3.974 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -1.913 -2.176 5.371 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -2.897 -1.984 3.934 1.00 1.02 H new ATOM 921 N LEU A 133 -1.755 0.929 6.456 1.00 0.77 N ATOM 922 CA LEU A 133 -1.707 0.968 7.903 1.00 0.97 C ATOM 923 C LEU A 133 -2.164 -0.363 8.463 1.00 1.32 C ATOM 924 O LEU A 133 -3.230 -0.870 8.109 1.00 1.55 O ATOM 925 CB LEU A 133 -2.562 2.099 8.474 1.00 1.18 C ATOM 926 CG LEU A 133 -1.896 3.481 8.517 1.00 1.21 C ATOM 927 CD1 LEU A 133 -1.465 3.936 7.132 1.00 1.25 C ATOM 928 CD2 LEU A 133 -2.843 4.497 9.135 1.00 2.00 C ATOM 0 H LEU A 133 -2.494 1.493 6.037 1.00 0.77 H new ATOM 0 HA LEU A 133 -0.675 1.159 8.198 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -3.474 2.174 7.882 1.00 1.18 H new ATOM 0 HB3 LEU A 133 -2.860 1.828 9.487 1.00 1.18 H new ATOM 0 HG LEU A 133 -1.001 3.403 9.134 1.00 1.21 H new ATOM 0 HD11 LEU A 133 -0.997 4.918 7.201 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -0.751 3.222 6.720 1.00 1.25 H new ATOM 0 HD13 LEU A 133 -2.337 3.994 6.480 1.00 1.25 H new ATOM 0 HD21 LEU A 133 -2.361 5.474 9.161 1.00 2.00 H new ATOM 0 HD22 LEU A 133 -3.753 4.557 8.538 1.00 2.00 H new ATOM 0 HD23 LEU A 133 -3.095 4.189 10.150 1.00 2.00 H new ATOM 1531 N ASP A 168 -11.123 1.956 1.956 1.00 1.54 N ATOM 1532 CA ASP A 168 -10.253 3.068 1.609 1.00 1.34 C ATOM 1533 C ASP A 168 -9.632 3.617 2.876 1.00 1.35 C ATOM 1534 O ASP A 168 -8.993 4.670 2.884 1.00 1.56 O ATOM 1535 CB ASP A 168 -11.025 4.165 0.862 1.00 1.54 C ATOM 1536 CG ASP A 168 -12.108 4.808 1.710 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -13.243 4.280 1.738 1.00 2.42 O ATOM 1538 OD2 ASP A 168 -11.832 5.844 2.352 1.00 2.11 O ATOM 0 HA ASP A 168 -9.469 2.714 0.940 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -10.326 4.933 0.531 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -11.477 3.738 -0.033 1.00 1.54 H new ATOM 1543 N ASP A 169 -9.801 2.854 3.934 1.00 1.37 N ATOM 1544 CA ASP A 169 -9.315 3.231 5.252 1.00 1.46 C ATOM 1545 C ASP A 169 -7.844 2.876 5.384 1.00 1.24 C ATOM 1546 O ASP A 169 -7.024 3.703 5.788 1.00 1.29 O ATOM 1547 CB ASP A 169 -10.127 2.521 6.342 1.00 1.79 C ATOM 1548 CG ASP A 169 -9.727 2.949 7.741 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -10.313 3.925 8.261 1.00 2.35 O ATOM 1550 OD2 ASP A 169 -8.825 2.318 8.328 1.00 2.57 O ATOM 0 H ASP A 169 -10.279 1.953 3.909 1.00 1.37 H new ATOM 0 HA ASP A 169 -9.433 4.308 5.374 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -11.187 2.727 6.192 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -9.995 1.443 6.244 1.00 1.79 H new ATOM 1555 N GLU A 170 -7.514 1.647 5.014 1.00 1.13 N ATOM 1556 CA GLU A 170 -6.137 1.169 5.069 1.00 1.05 C ATOM 1557 C GLU A 170 -5.305 1.779 3.948 1.00 0.82 C ATOM 1558 O GLU A 170 -4.079 1.807 4.014 1.00 0.83 O ATOM 1559 CB GLU A 170 -6.103 -0.359 4.986 1.00 1.23 C ATOM 1560 CG GLU A 170 -6.845 -0.920 3.782 1.00 1.87 C ATOM 1561 CD GLU A 170 -6.816 -2.432 3.729 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -7.222 -3.071 4.721 1.00 2.60 O ATOM 1563 OE2 GLU A 170 -6.413 -2.987 2.686 1.00 2.93 O ATOM 0 H GLU A 170 -8.184 0.959 4.671 1.00 1.13 H new ATOM 0 HA GLU A 170 -5.705 1.480 6.020 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -5.065 -0.690 4.949 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -6.537 -0.774 5.896 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -7.881 -0.582 3.809 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -6.403 -0.520 2.869 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.983 2.281 2.930 1.00 0.73 N ATOM 1571 CA LEU A 171 -5.312 2.880 1.784 1.00 0.62 C ATOM 1572 C LEU A 171 -4.917 4.321 2.069 1.00 0.57 C ATOM 1573 O LEU A 171 -5.764 5.213 2.105 1.00 0.73 O ATOM 1574 CB LEU A 171 -6.196 2.833 0.532 1.00 0.67 C ATOM 1575 CG LEU A 171 -6.168 1.520 -0.258 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -6.827 0.393 0.522 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.844 1.704 -1.607 1.00 1.16 C ATOM 0 H LEU A 171 -7.001 2.287 2.872 1.00 0.73 H new ATOM 0 HA LEU A 171 -4.411 2.294 1.601 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -7.225 3.034 0.830 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -5.893 3.642 -0.133 1.00 0.67 H new ATOM 0 HG LEU A 171 -5.126 1.245 -0.422 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -6.791 -0.525 -0.065 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -6.297 0.243 1.463 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -7.866 0.652 0.728 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.817 0.764 -2.158 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.880 2.007 -1.456 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -6.320 2.473 -2.175 1.00 1.16 H new ATOM 1589 N ASN A 172 -3.633 4.535 2.315 1.00 0.49 N ATOM 1590 CA ASN A 172 -3.093 5.885 2.423 1.00 0.51 C ATOM 1591 C ASN A 172 -2.143 6.135 1.260 1.00 0.45 C ATOM 1592 O ASN A 172 -0.937 5.934 1.385 1.00 0.48 O ATOM 1593 CB ASN A 172 -2.357 6.106 3.753 1.00 0.66 C ATOM 1594 CG ASN A 172 -3.268 6.091 4.971 1.00 1.58 C ATOM 1595 OD1 ASN A 172 -3.119 6.913 5.875 1.00 1.82 O ATOM 1596 ND2 ASN A 172 -4.182 5.138 5.033 1.00 2.56 N ATOM 0 H ASN A 172 -2.945 3.793 2.444 1.00 0.49 H new ATOM 0 HA ASN A 172 -3.926 6.587 2.391 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -1.598 5.333 3.870 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -1.835 7.062 3.714 1.00 0.66 H new ATOM 0 HD21 ASN A 172 -4.791 5.068 5.848 1.00 2.56 H new ATOM 0 HD22 ASN A 172 -4.278 4.473 4.266 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.698 6.547 0.129 1.00 0.45 N ATOM 1604 CA TRP A 173 -1.940 6.664 -1.116 1.00 0.46 C ATOM 1605 C TRP A 173 -0.687 7.526 -0.964 1.00 0.56 C ATOM 1606 O TRP A 173 -0.711 8.572 -0.309 1.00 0.69 O ATOM 1607 CB TRP A 173 -2.807 7.272 -2.219 1.00 0.48 C ATOM 1608 CG TRP A 173 -3.918 6.393 -2.705 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -5.220 6.422 -2.308 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -3.823 5.371 -3.703 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -5.947 5.486 -3.002 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.110 4.826 -3.864 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -2.777 4.866 -4.476 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -5.374 3.804 -4.773 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -3.042 3.849 -5.373 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -4.331 3.330 -5.516 1.00 0.64 C ATOM 0 H TRP A 173 -3.680 6.809 0.045 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.635 5.651 -1.380 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.235 8.205 -1.852 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -2.168 7.526 -3.065 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.623 7.085 -1.556 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -6.946 5.311 -2.894 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -1.778 5.263 -4.375 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -6.369 3.400 -4.886 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -2.239 3.449 -5.974 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -4.506 2.538 -6.229 1.00 0.64 H new ATOM 1627 N LEU A 174 0.401 7.075 -1.577 1.00 0.53 N ATOM 1628 CA LEU A 174 1.596 7.890 -1.702 1.00 0.65 C ATOM 1629 C LEU A 174 2.150 7.754 -3.119 1.00 0.61 C ATOM 1630 O LEU A 174 2.041 6.695 -3.751 1.00 0.62 O ATOM 1631 CB LEU A 174 2.653 7.584 -0.602 1.00 0.72 C ATOM 1632 CG LEU A 174 3.495 6.289 -0.686 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.635 5.060 -0.892 1.00 0.53 C ATOM 1634 CD2 LEU A 174 4.573 6.386 -1.757 1.00 0.67 C ATOM 0 H LEU A 174 0.477 6.148 -1.995 1.00 0.53 H new ATOM 0 HA LEU A 174 1.326 8.933 -1.536 1.00 0.65 H new ATOM 0 HB2 LEU A 174 3.348 8.423 -0.576 1.00 0.72 H new ATOM 0 HB3 LEU A 174 2.132 7.572 0.355 1.00 0.72 H new ATOM 0 HG LEU A 174 3.992 6.180 0.278 1.00 0.64 H new ATOM 0 HD11 LEU A 174 3.270 4.176 -0.945 1.00 0.53 H new ATOM 0 HD12 LEU A 174 1.940 4.958 -0.058 1.00 0.53 H new ATOM 0 HD13 LEU A 174 2.074 5.160 -1.821 1.00 0.53 H new ATOM 0 HD21 LEU A 174 5.143 5.457 -1.785 1.00 0.67 H new ATOM 0 HD22 LEU A 174 4.107 6.555 -2.728 1.00 0.67 H new ATOM 0 HD23 LEU A 174 5.242 7.215 -1.526 1.00 0.67 H new ATOM 1646 N ASP A 175 2.714 8.839 -3.618 1.00 0.76 N ATOM 1647 CA ASP A 175 3.123 8.923 -5.011 1.00 0.80 C ATOM 1648 C ASP A 175 4.631 9.054 -5.131 1.00 0.77 C ATOM 1649 O ASP A 175 5.368 8.874 -4.158 1.00 0.98 O ATOM 1650 CB ASP A 175 2.447 10.122 -5.684 1.00 1.07 C ATOM 1651 CG ASP A 175 0.941 9.983 -5.763 1.00 1.93 C ATOM 1652 OD1 ASP A 175 0.266 10.139 -4.722 1.00 2.79 O ATOM 1653 OD2 ASP A 175 0.417 9.733 -6.871 1.00 2.39 O ATOM 0 H ASP A 175 2.901 9.682 -3.075 1.00 0.76 H new ATOM 0 HA ASP A 175 2.816 8.003 -5.509 1.00 0.80 H new ATOM 0 HB2 ASP A 175 2.694 11.029 -5.132 1.00 1.07 H new ATOM 0 HB3 ASP A 175 2.849 10.241 -6.690 1.00 1.07 H new ATOM 1658 N HIS A 176 5.086 9.377 -6.331 1.00 0.76 N ATOM 1659 CA HIS A 176 6.505 9.509 -6.604 1.00 0.85 C ATOM 1660 C HIS A 176 6.896 10.979 -6.620 1.00 1.05 C ATOM 1661 O HIS A 176 6.180 11.825 -6.080 1.00 1.99 O ATOM 1662 CB HIS A 176 6.852 8.860 -7.942 1.00 0.87 C ATOM 1663 CG HIS A 176 6.426 7.429 -8.050 1.00 0.84 C ATOM 1664 ND1 HIS A 176 5.498 6.981 -8.962 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.829 6.336 -7.366 1.00 0.81 C ATOM 1666 CE1 HIS A 176 5.351 5.677 -8.833 1.00 1.03 C ATOM 1667 NE2 HIS A 176 6.149 5.255 -7.871 1.00 0.82 N ATOM 0 H HIS A 176 4.486 9.554 -7.137 1.00 0.76 H new ATOM 0 HA HIS A 176 7.062 9.001 -5.816 1.00 0.85 H new ATOM 0 HB2 HIS A 176 6.383 9.430 -8.744 1.00 0.87 H new ATOM 0 HB3 HIS A 176 7.929 8.921 -8.096 1.00 0.87 H new ATOM 0 HD2 HIS A 176 7.555 6.316 -6.566 1.00 0.81 H new ATOM 0 HE1 HIS A 176 4.687 5.057 -9.418 1.00 1.03 H new ATOM 0 HE2 HIS A 176 6.245 4.290 -7.556 1.00 0.82 H new ATOM 1676 N GLY A 177 8.032 11.283 -7.238 1.00 0.93 N ATOM 1677 CA GLY A 177 8.539 12.639 -7.232 1.00 0.94 C ATOM 1678 C GLY A 177 9.178 12.964 -5.905 1.00 0.95 C ATOM 1679 O GLY A 177 9.444 14.125 -5.593 1.00 1.16 O ATOM 0 H GLY A 177 8.610 10.612 -7.743 1.00 0.93 H new ATOM 0 HA2 GLY A 177 9.268 12.763 -8.032 1.00 0.94 H new ATOM 0 HA3 GLY A 177 7.726 13.337 -7.430 1.00 0.94 H new ATOM 1683 N ARG A 178 9.422 11.916 -5.127 1.00 0.81 N ATOM 1684 CA ARG A 178 9.953 12.039 -3.783 1.00 0.89 C ATOM 1685 C ARG A 178 10.232 10.655 -3.217 1.00 0.62 C ATOM 1686 O ARG A 178 10.025 9.646 -3.898 1.00 0.64 O ATOM 1687 CB ARG A 178 8.974 12.802 -2.879 1.00 1.22 C ATOM 1688 CG ARG A 178 7.557 12.248 -2.885 1.00 1.50 C ATOM 1689 CD ARG A 178 6.598 13.199 -2.190 1.00 1.27 C ATOM 1690 NE ARG A 178 5.205 12.759 -2.286 1.00 1.32 N ATOM 1691 CZ ARG A 178 4.222 13.525 -2.760 1.00 1.66 C ATOM 1692 NH1 ARG A 178 4.494 14.731 -3.241 1.00 2.09 N ATOM 1693 NH2 ARG A 178 2.972 13.082 -2.774 1.00 2.11 N ATOM 0 H ARG A 178 9.254 10.953 -5.417 1.00 0.81 H new ATOM 0 HA ARG A 178 10.884 12.604 -3.822 1.00 0.89 H new ATOM 0 HB2 ARG A 178 9.354 12.787 -1.857 1.00 1.22 H new ATOM 0 HB3 ARG A 178 8.945 13.845 -3.193 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.231 12.084 -3.912 1.00 1.50 H new ATOM 0 HG3 ARG A 178 7.539 11.279 -2.386 1.00 1.50 H new ATOM 0 HD2 ARG A 178 6.876 13.287 -1.140 1.00 1.27 H new ATOM 0 HD3 ARG A 178 6.693 14.192 -2.630 1.00 1.27 H new ATOM 0 HE ARG A 178 4.974 11.816 -1.974 1.00 1.32 H new ATOM 0 HH11 ARG A 178 5.455 15.072 -3.248 1.00 2.09 H new ATOM 0 HH12 ARG A 178 3.742 15.317 -3.604 1.00 2.09 H new ATOM 0 HH21 ARG A 178 2.757 12.150 -2.421 1.00 2.11 H new ATOM 0 HH22 ARG A 178 2.225 13.674 -3.138 1.00 2.11 H new ATOM 1707 N THR A 179 10.698 10.609 -1.984 1.00 0.57 N ATOM 1708 CA THR A 179 11.058 9.353 -1.351 1.00 0.61 C ATOM 1709 C THR A 179 10.153 9.081 -0.156 1.00 0.61 C ATOM 1710 O THR A 179 9.282 9.894 0.168 1.00 0.56 O ATOM 1711 CB THR A 179 12.525 9.392 -0.887 1.00 0.83 C ATOM 1712 OG1 THR A 179 12.693 10.392 0.129 1.00 0.90 O ATOM 1713 CG2 THR A 179 13.445 9.697 -2.057 1.00 0.91 C ATOM 0 H THR A 179 10.837 11.431 -1.397 1.00 0.57 H new ATOM 0 HA THR A 179 10.933 8.553 -2.081 1.00 0.61 H new ATOM 0 HB THR A 179 12.783 8.415 -0.479 1.00 0.83 H new ATOM 0 HG1 THR A 179 13.604 10.751 0.087 1.00 0.90 H new ATOM 0 HG21 THR A 179 14.478 9.721 -1.711 1.00 0.91 H new ATOM 0 HG22 THR A 179 13.335 8.924 -2.818 1.00 0.91 H new ATOM 0 HG23 THR A 179 13.183 10.665 -2.483 1.00 0.91 H new ATOM 1721 N LEU A 180 10.350 7.944 0.495 1.00 0.80 N ATOM 1722 CA LEU A 180 9.620 7.633 1.714 1.00 0.90 C ATOM 1723 C LEU A 180 10.152 8.487 2.851 1.00 0.91 C ATOM 1724 O LEU A 180 9.422 8.852 3.773 1.00 0.95 O ATOM 1725 CB LEU A 180 9.747 6.148 2.063 1.00 1.22 C ATOM 1726 CG LEU A 180 9.128 5.185 1.047 1.00 1.41 C ATOM 1727 CD1 LEU A 180 9.211 3.754 1.553 1.00 2.05 C ATOM 1728 CD2 LEU A 180 7.684 5.569 0.766 1.00 2.08 C ATOM 0 H LEU A 180 11.008 7.223 0.200 1.00 0.80 H new ATOM 0 HA LEU A 180 8.564 7.852 1.557 1.00 0.90 H new ATOM 0 HB2 LEU A 180 10.804 5.906 2.172 1.00 1.22 H new ATOM 0 HB3 LEU A 180 9.279 5.978 3.033 1.00 1.22 H new ATOM 0 HG LEU A 180 9.691 5.253 0.116 1.00 1.41 H new ATOM 0 HD11 LEU A 180 8.766 3.082 0.819 1.00 2.05 H new ATOM 0 HD12 LEU A 180 10.255 3.483 1.708 1.00 2.05 H new ATOM 0 HD13 LEU A 180 8.671 3.670 2.496 1.00 2.05 H new ATOM 0 HD21 LEU A 180 7.257 4.875 0.042 1.00 2.08 H new ATOM 0 HD22 LEU A 180 7.110 5.526 1.691 1.00 2.08 H new ATOM 0 HD23 LEU A 180 7.648 6.581 0.363 1.00 2.08 H new ATOM 1740 N ARG A 181 11.433 8.820 2.749 1.00 0.99 N ATOM 1741 CA ARG A 181 12.096 9.689 3.710 1.00 1.14 C ATOM 1742 C ARG A 181 11.394 11.042 3.777 1.00 1.04 C ATOM 1743 O ARG A 181 11.093 11.547 4.859 1.00 1.14 O ATOM 1744 CB ARG A 181 13.560 9.877 3.305 1.00 1.37 C ATOM 1745 CG ARG A 181 14.345 10.815 4.206 1.00 1.60 C ATOM 1746 CD ARG A 181 15.700 11.148 3.598 1.00 2.05 C ATOM 1747 NE ARG A 181 15.563 11.823 2.306 1.00 2.91 N ATOM 1748 CZ ARG A 181 16.420 11.699 1.292 1.00 3.63 C ATOM 1749 NH1 ARG A 181 17.506 10.943 1.416 1.00 3.63 N ATOM 1750 NH2 ARG A 181 16.195 12.350 0.158 1.00 4.63 N ATOM 0 H ARG A 181 12.040 8.494 1.997 1.00 0.99 H new ATOM 0 HA ARG A 181 12.050 9.227 4.696 1.00 1.14 H new ATOM 0 HB2 ARG A 181 14.050 8.904 3.299 1.00 1.37 H new ATOM 0 HB3 ARG A 181 13.596 10.258 2.285 1.00 1.37 H new ATOM 0 HG2 ARG A 181 13.778 11.732 4.364 1.00 1.60 H new ATOM 0 HG3 ARG A 181 14.484 10.354 5.184 1.00 1.60 H new ATOM 0 HD2 ARG A 181 16.260 11.784 4.283 1.00 2.05 H new ATOM 0 HD3 ARG A 181 16.277 10.232 3.471 1.00 2.05 H new ATOM 0 HE ARG A 181 14.755 12.431 2.172 1.00 2.91 H new ATOM 0 HH11 ARG A 181 17.689 10.453 2.291 1.00 3.63 H new ATOM 0 HH12 ARG A 181 18.157 10.853 0.636 1.00 3.63 H new ATOM 0 HH21 ARG A 181 15.370 12.942 0.065 1.00 4.63 H new ATOM 0 HH22 ARG A 181 16.847 12.259 -0.621 1.00 4.63 H new ATOM 1764 N GLU A 182 11.117 11.609 2.607 1.00 0.93 N ATOM 1765 CA GLU A 182 10.465 12.912 2.517 1.00 0.98 C ATOM 1766 C GLU A 182 9.079 12.860 3.134 1.00 0.98 C ATOM 1767 O GLU A 182 8.663 13.777 3.841 1.00 1.16 O ATOM 1768 CB GLU A 182 10.329 13.350 1.058 1.00 0.96 C ATOM 1769 CG GLU A 182 11.614 13.263 0.266 1.00 1.17 C ATOM 1770 CD GLU A 182 12.732 14.082 0.870 1.00 1.52 C ATOM 1771 OE1 GLU A 182 12.694 15.322 0.744 1.00 1.91 O ATOM 1772 OE2 GLU A 182 13.646 13.491 1.479 1.00 1.94 O ATOM 0 H GLU A 182 11.335 11.185 1.705 1.00 0.93 H new ATOM 0 HA GLU A 182 11.085 13.626 3.059 1.00 0.98 H new ATOM 0 HB2 GLU A 182 9.573 12.732 0.573 1.00 0.96 H new ATOM 0 HB3 GLU A 182 9.966 14.378 1.030 1.00 0.96 H new ATOM 0 HG2 GLU A 182 11.927 12.221 0.203 1.00 1.17 H new ATOM 0 HG3 GLU A 182 11.431 13.603 -0.753 1.00 1.17 H new ATOM 1779 N GLN A 183 8.376 11.769 2.875 1.00 0.90 N ATOM 1780 CA GLN A 183 6.983 11.649 3.268 1.00 1.02 C ATOM 1781 C GLN A 183 6.849 11.198 4.722 1.00 1.23 C ATOM 1782 O GLN A 183 5.742 11.095 5.250 1.00 1.48 O ATOM 1783 CB GLN A 183 6.263 10.685 2.326 1.00 1.06 C ATOM 1784 CG GLN A 183 6.325 11.134 0.875 1.00 1.27 C ATOM 1785 CD GLN A 183 5.718 10.135 -0.087 1.00 1.41 C ATOM 1786 OE1 GLN A 183 4.528 10.193 -0.393 1.00 2.02 O ATOM 1787 NE2 GLN A 183 6.536 9.220 -0.581 1.00 1.34 N ATOM 0 H GLN A 183 8.750 10.952 2.393 1.00 0.90 H new ATOM 0 HA GLN A 183 6.517 12.631 3.193 1.00 1.02 H new ATOM 0 HB2 GLN A 183 6.708 9.694 2.416 1.00 1.06 H new ATOM 0 HB3 GLN A 183 5.220 10.595 2.631 1.00 1.06 H new ATOM 0 HG2 GLN A 183 5.806 12.087 0.774 1.00 1.27 H new ATOM 0 HG3 GLN A 183 7.365 11.307 0.600 1.00 1.27 H new ATOM 0 HE21 GLN A 183 7.517 9.208 -0.300 1.00 1.34 H new ATOM 0 HE22 GLN A 183 6.186 8.527 -1.243 1.00 1.34 H new ATOM 1796 N GLY A 184 7.985 10.922 5.355 1.00 1.33 N ATOM 1797 CA GLY A 184 7.995 10.580 6.765 1.00 1.78 C ATOM 1798 C GLY A 184 7.424 9.206 7.051 1.00 1.49 C ATOM 1799 O GLY A 184 6.886 8.963 8.131 1.00 1.85 O ATOM 0 H GLY A 184 8.904 10.929 4.913 1.00 1.33 H new ATOM 0 HA2 GLY A 184 9.019 10.625 7.136 1.00 1.78 H new ATOM 0 HA3 GLY A 184 7.423 11.326 7.317 1.00 1.78 H new ATOM 1803 N VAL A 185 7.539 8.305 6.091 1.00 1.10 N ATOM 1804 CA VAL A 185 7.035 6.954 6.263 1.00 1.23 C ATOM 1805 C VAL A 185 8.189 5.967 6.419 1.00 1.12 C ATOM 1806 O VAL A 185 9.099 5.910 5.586 1.00 1.54 O ATOM 1807 CB VAL A 185 6.102 6.541 5.098 1.00 1.51 C ATOM 1808 CG1 VAL A 185 6.694 6.936 3.757 1.00 1.70 C ATOM 1809 CG2 VAL A 185 5.811 5.047 5.133 1.00 1.63 C ATOM 0 H VAL A 185 7.976 8.484 5.187 1.00 1.10 H new ATOM 0 HA VAL A 185 6.440 6.934 7.176 1.00 1.23 H new ATOM 0 HB VAL A 185 5.160 7.075 5.225 1.00 1.51 H new ATOM 0 HG11 VAL A 185 6.018 6.634 2.957 1.00 1.70 H new ATOM 0 HG12 VAL A 185 6.834 8.017 3.725 1.00 1.70 H new ATOM 0 HG13 VAL A 185 7.656 6.442 3.624 1.00 1.70 H new ATOM 0 HG21 VAL A 185 5.154 4.785 4.304 1.00 1.63 H new ATOM 0 HG22 VAL A 185 6.745 4.492 5.045 1.00 1.63 H new ATOM 0 HG23 VAL A 185 5.326 4.793 6.075 1.00 1.63 H new ATOM 1819 N GLU A 186 8.153 5.215 7.507 1.00 1.26 N ATOM 1820 CA GLU A 186 9.209 4.272 7.830 1.00 1.39 C ATOM 1821 C GLU A 186 8.943 2.912 7.193 1.00 1.49 C ATOM 1822 O GLU A 186 7.851 2.651 6.691 1.00 2.04 O ATOM 1823 CB GLU A 186 9.330 4.129 9.345 1.00 1.52 C ATOM 1824 CG GLU A 186 9.695 5.423 10.052 1.00 1.57 C ATOM 1825 CD GLU A 186 11.047 5.958 9.628 1.00 2.21 C ATOM 1826 OE1 GLU A 186 12.068 5.306 9.934 1.00 2.48 O ATOM 1827 OE2 GLU A 186 11.101 7.028 8.988 1.00 2.87 O ATOM 0 H GLU A 186 7.394 5.241 8.188 1.00 1.26 H new ATOM 0 HA GLU A 186 10.147 4.655 7.428 1.00 1.39 H new ATOM 0 HB2 GLU A 186 8.384 3.762 9.743 1.00 1.52 H new ATOM 0 HB3 GLU A 186 10.085 3.376 9.571 1.00 1.52 H new ATOM 0 HG2 GLU A 186 8.931 6.173 9.846 1.00 1.57 H new ATOM 0 HG3 GLU A 186 9.696 5.256 11.129 1.00 1.57 H new ATOM 1834 N GLU A 187 9.941 2.039 7.253 1.00 1.26 N ATOM 1835 CA GLU A 187 9.884 0.743 6.582 1.00 1.33 C ATOM 1836 C GLU A 187 8.931 -0.234 7.271 1.00 1.35 C ATOM 1837 O GLU A 187 8.576 -1.264 6.701 1.00 1.49 O ATOM 1838 CB GLU A 187 11.285 0.138 6.516 1.00 1.44 C ATOM 1839 CG GLU A 187 11.943 0.007 7.875 1.00 1.45 C ATOM 1840 CD GLU A 187 13.373 -0.467 7.788 1.00 1.45 C ATOM 1841 OE1 GLU A 187 14.202 0.251 7.196 1.00 1.90 O ATOM 1842 OE2 GLU A 187 13.674 -1.557 8.313 1.00 1.53 O ATOM 0 H GLU A 187 10.808 2.206 7.764 1.00 1.26 H new ATOM 0 HA GLU A 187 9.498 0.914 5.577 1.00 1.33 H new ATOM 0 HB2 GLU A 187 11.227 -0.846 6.051 1.00 1.44 H new ATOM 0 HB3 GLU A 187 11.911 0.758 5.874 1.00 1.44 H new ATOM 0 HG2 GLU A 187 11.915 0.972 8.382 1.00 1.45 H new ATOM 0 HG3 GLU A 187 11.370 -0.691 8.486 1.00 1.45 H new ATOM 1849 N HIS A 188 8.523 0.078 8.500 1.00 1.31 N ATOM 1850 CA HIS A 188 7.598 -0.792 9.225 1.00 1.39 C ATOM 1851 C HIS A 188 6.190 -0.682 8.650 1.00 1.20 C ATOM 1852 O HIS A 188 5.332 -1.519 8.922 1.00 1.24 O ATOM 1853 CB HIS A 188 7.584 -0.478 10.730 1.00 1.61 C ATOM 1854 CG HIS A 188 7.046 0.879 11.087 1.00 1.70 C ATOM 1855 ND1 HIS A 188 7.853 1.938 11.435 1.00 1.87 N ATOM 1856 CD2 HIS A 188 5.775 1.339 11.166 1.00 1.78 C ATOM 1857 CE1 HIS A 188 7.103 2.989 11.710 1.00 2.02 C ATOM 1858 NE2 HIS A 188 5.839 2.652 11.553 1.00 1.98 N ATOM 0 H HIS A 188 8.813 0.913 9.009 1.00 1.31 H new ATOM 0 HA HIS A 188 7.950 -1.816 9.100 1.00 1.39 H new ATOM 0 HB2 HIS A 188 6.987 -1.235 11.239 1.00 1.61 H new ATOM 0 HB3 HIS A 188 8.601 -0.562 11.114 1.00 1.61 H new ATOM 0 HD2 HIS A 188 4.877 0.775 10.962 1.00 1.78 H new ATOM 0 HE1 HIS A 188 7.464 3.961 12.013 1.00 2.02 H new ATOM 0 HE2 HIS A 188 5.039 3.268 11.696 1.00 1.98 H new ATOM 1867 N GLU A 189 5.956 0.361 7.866 1.00 1.06 N ATOM 1868 CA GLU A 189 4.666 0.556 7.226 1.00 0.92 C ATOM 1869 C GLU A 189 4.542 -0.377 6.030 1.00 0.81 C ATOM 1870 O GLU A 189 5.431 -0.426 5.180 1.00 1.08 O ATOM 1871 CB GLU A 189 4.512 2.010 6.776 1.00 0.90 C ATOM 1872 CG GLU A 189 4.588 3.018 7.912 1.00 1.26 C ATOM 1873 CD GLU A 189 3.312 3.101 8.725 1.00 2.13 C ATOM 1874 OE1 GLU A 189 3.094 2.209 9.573 1.00 2.73 O ATOM 1875 OE2 GLU A 189 2.517 4.041 8.512 1.00 2.47 O ATOM 0 H GLU A 189 6.644 1.085 7.659 1.00 1.06 H new ATOM 0 HA GLU A 189 3.876 0.329 7.942 1.00 0.92 H new ATOM 0 HB2 GLU A 189 5.290 2.239 6.048 1.00 0.90 H new ATOM 0 HB3 GLU A 189 3.555 2.123 6.267 1.00 0.90 H new ATOM 0 HG2 GLU A 189 5.414 2.751 8.571 1.00 1.26 H new ATOM 0 HG3 GLU A 189 4.814 4.002 7.501 1.00 1.26 H new ATOM 1882 N THR A 190 3.452 -1.123 5.973 1.00 0.56 N ATOM 1883 CA THR A 190 3.235 -2.047 4.877 1.00 0.44 C ATOM 1884 C THR A 190 2.903 -1.272 3.603 1.00 0.40 C ATOM 1885 O THR A 190 2.102 -0.341 3.623 1.00 0.47 O ATOM 1886 CB THR A 190 2.108 -3.048 5.216 1.00 0.36 C ATOM 1887 OG1 THR A 190 2.369 -3.625 6.505 1.00 0.45 O ATOM 1888 CG2 THR A 190 2.013 -4.164 4.175 1.00 0.36 C ATOM 0 H THR A 190 2.708 -1.106 6.670 1.00 0.56 H new ATOM 0 HA THR A 190 4.150 -2.617 4.715 1.00 0.44 H new ATOM 0 HB THR A 190 1.161 -2.508 5.219 1.00 0.36 H new ATOM 0 HG1 THR A 190 1.657 -4.261 6.729 1.00 0.45 H new ATOM 0 HG21 THR A 190 1.209 -4.848 4.447 1.00 0.36 H new ATOM 0 HG22 THR A 190 1.805 -3.732 3.196 1.00 0.36 H new ATOM 0 HG23 THR A 190 2.956 -4.709 4.138 1.00 0.36 H new ATOM 1896 N LEU A 191 3.554 -1.625 2.512 1.00 0.38 N ATOM 1897 CA LEU A 191 3.336 -0.951 1.250 1.00 0.36 C ATOM 1898 C LEU A 191 2.375 -1.772 0.401 1.00 0.32 C ATOM 1899 O LEU A 191 2.637 -2.935 0.089 1.00 0.35 O ATOM 1900 CB LEU A 191 4.678 -0.739 0.533 1.00 0.43 C ATOM 1901 CG LEU A 191 4.695 0.298 -0.604 1.00 0.57 C ATOM 1902 CD1 LEU A 191 3.932 -0.196 -1.823 1.00 0.97 C ATOM 1903 CD2 LEU A 191 4.127 1.624 -0.123 1.00 0.90 C ATOM 0 H LEU A 191 4.241 -2.378 2.476 1.00 0.38 H new ATOM 0 HA LEU A 191 2.892 0.029 1.422 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.418 -0.442 1.276 1.00 0.43 H new ATOM 0 HB3 LEU A 191 5.002 -1.697 0.126 1.00 0.43 H new ATOM 0 HG LEU A 191 5.733 0.446 -0.901 1.00 0.57 H new ATOM 0 HD11 LEU A 191 3.966 0.562 -2.605 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.388 -1.116 -2.190 1.00 0.97 H new ATOM 0 HD13 LEU A 191 2.895 -0.389 -1.549 1.00 0.97 H new ATOM 0 HD21 LEU A 191 4.147 2.346 -0.940 1.00 0.90 H new ATOM 0 HD22 LEU A 191 3.099 1.480 0.210 1.00 0.90 H new ATOM 0 HD23 LEU A 191 4.728 1.998 0.706 1.00 0.90 H new ATOM 1915 N LEU A 192 1.261 -1.167 0.047 1.00 0.31 N ATOM 1916 CA LEU A 192 0.241 -1.838 -0.736 1.00 0.32 C ATOM 1917 C LEU A 192 0.241 -1.289 -2.152 1.00 0.37 C ATOM 1918 O LEU A 192 0.196 -0.075 -2.355 1.00 0.38 O ATOM 1919 CB LEU A 192 -1.127 -1.618 -0.081 1.00 0.39 C ATOM 1920 CG LEU A 192 -2.311 -2.426 -0.637 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -2.936 -1.730 -1.833 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -1.880 -3.833 -1.015 1.00 1.34 C ATOM 0 H LEU A 192 1.036 -0.203 0.291 1.00 0.31 H new ATOM 0 HA LEU A 192 0.450 -2.907 -0.774 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -1.033 -1.844 0.981 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.373 -0.559 -0.161 1.00 0.39 H new ATOM 0 HG LEU A 192 -3.061 -2.494 0.151 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -3.771 -2.325 -2.205 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -3.296 -0.746 -1.534 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -2.190 -1.619 -2.620 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -2.736 -4.383 -1.405 1.00 1.34 H new ATOM 0 HD22 LEU A 192 -1.103 -3.783 -1.777 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -1.492 -4.344 -0.134 1.00 1.34 H new ATOM 1934 N LEU A 193 0.307 -2.176 -3.123 1.00 0.48 N ATOM 1935 CA LEU A 193 0.180 -1.771 -4.506 1.00 0.58 C ATOM 1936 C LEU A 193 -1.243 -2.019 -4.979 1.00 0.61 C ATOM 1937 O LEU A 193 -1.815 -3.068 -4.706 1.00 0.64 O ATOM 1938 CB LEU A 193 1.173 -2.530 -5.395 1.00 0.65 C ATOM 1939 CG LEU A 193 0.923 -2.412 -6.903 1.00 0.76 C ATOM 1940 CD1 LEU A 193 1.029 -0.966 -7.360 1.00 1.36 C ATOM 1941 CD2 LEU A 193 1.891 -3.296 -7.677 1.00 1.47 C ATOM 0 H LEU A 193 0.447 -3.176 -2.981 1.00 0.48 H new ATOM 0 HA LEU A 193 0.408 -0.708 -4.580 1.00 0.58 H new ATOM 0 HB2 LEU A 193 2.178 -2.168 -5.180 1.00 0.65 H new ATOM 0 HB3 LEU A 193 1.149 -3.585 -5.121 1.00 0.65 H new ATOM 0 HG LEU A 193 -0.091 -2.755 -7.107 1.00 0.76 H new ATOM 0 HD11 LEU A 193 0.848 -0.909 -8.433 1.00 1.36 H new ATOM 0 HD12 LEU A 193 0.288 -0.363 -6.834 1.00 1.36 H new ATOM 0 HD13 LEU A 193 2.027 -0.587 -7.140 1.00 1.36 H new ATOM 0 HD21 LEU A 193 1.698 -3.199 -8.745 1.00 1.47 H new ATOM 0 HD22 LEU A 193 2.915 -2.988 -7.464 1.00 1.47 H new ATOM 0 HD23 LEU A 193 1.754 -4.335 -7.377 1.00 1.47 H new ATOM 1953 N ARG A 194 -1.814 -1.052 -5.673 1.00 0.67 N ATOM 1954 CA ARG A 194 -3.174 -1.179 -6.166 1.00 0.73 C ATOM 1955 C ARG A 194 -3.407 -0.199 -7.299 1.00 0.79 C ATOM 1956 O ARG A 194 -2.914 0.930 -7.264 1.00 0.92 O ATOM 1957 CB ARG A 194 -4.156 -0.931 -5.021 1.00 0.83 C ATOM 1958 CG ARG A 194 -5.615 -1.173 -5.377 1.00 0.96 C ATOM 1959 CD ARG A 194 -6.449 -1.428 -4.130 1.00 1.01 C ATOM 1960 NE ARG A 194 -5.975 -2.608 -3.402 1.00 1.54 N ATOM 1961 CZ ARG A 194 -6.504 -3.056 -2.262 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -7.531 -2.432 -1.699 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -5.999 -4.138 -1.682 1.00 2.86 N ATOM 0 H ARG A 194 -1.358 -0.170 -5.908 1.00 0.67 H new ATOM 0 HA ARG A 194 -3.332 -2.187 -6.550 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -3.888 -1.575 -4.184 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -4.044 0.098 -4.680 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -6.010 -0.309 -5.912 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -5.691 -2.027 -6.050 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -6.408 -0.555 -3.478 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -7.493 -1.567 -4.411 1.00 1.01 H new ATOM 0 HE ARG A 194 -5.186 -3.122 -3.794 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -7.925 -1.600 -2.138 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -7.926 -2.785 -0.827 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -5.210 -4.624 -2.108 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -6.400 -4.484 -0.810 1.00 2.86 H new ATOM 1977 N ARG A 195 -4.136 -0.626 -8.317 1.00 0.85 N ATOM 1978 CA ARG A 195 -4.434 0.258 -9.425 1.00 0.94 C ATOM 1979 C ARG A 195 -5.713 1.033 -9.152 1.00 1.05 C ATOM 1980 O ARG A 195 -6.810 0.473 -9.144 1.00 1.43 O ATOM 1981 CB ARG A 195 -4.513 -0.498 -10.761 1.00 1.08 C ATOM 1982 CG ARG A 195 -5.494 -1.659 -10.797 1.00 1.07 C ATOM 1983 CD ARG A 195 -5.540 -2.292 -12.181 1.00 1.26 C ATOM 1984 NE ARG A 195 -6.438 -3.446 -12.237 1.00 1.14 N ATOM 1985 CZ ARG A 195 -6.496 -4.300 -13.260 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -5.731 -4.123 -14.333 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -7.334 -5.324 -13.211 1.00 2.01 N ATOM 0 H ARG A 195 -4.526 -1.565 -8.397 1.00 0.85 H new ATOM 0 HA ARG A 195 -3.611 0.967 -9.515 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -4.785 0.210 -11.544 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -3.520 -0.876 -11.004 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -5.204 -2.408 -10.060 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -6.488 -1.308 -10.520 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -5.864 -1.547 -12.908 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -4.536 -2.602 -12.469 1.00 1.26 H new ATOM 0 HE ARG A 195 -7.059 -3.608 -11.444 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -5.093 -3.329 -14.379 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -5.782 -4.781 -15.110 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -7.930 -5.456 -12.394 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -7.383 -5.981 -13.990 1.00 2.01 H new ATOM 2001 N LYS A 196 -5.552 2.323 -8.881 1.00 1.10 N ATOM 2002 CA LYS A 196 -6.686 3.216 -8.684 1.00 1.22 C ATOM 2003 C LYS A 196 -7.452 3.351 -9.991 1.00 1.40 C ATOM 2004 O LYS A 196 -8.656 3.601 -10.002 1.00 2.26 O ATOM 2005 CB LYS A 196 -6.207 4.588 -8.201 1.00 1.40 C ATOM 2006 CG LYS A 196 -5.139 5.196 -9.091 1.00 1.16 C ATOM 2007 CD LYS A 196 -4.722 6.582 -8.634 1.00 1.16 C ATOM 2008 CE LYS A 196 -4.119 6.575 -7.240 1.00 1.32 C ATOM 2009 NZ LYS A 196 -3.508 7.886 -6.897 1.00 1.72 N ATOM 0 H LYS A 196 -4.642 2.775 -8.792 1.00 1.10 H new ATOM 0 HA LYS A 196 -7.345 2.799 -7.922 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -7.059 5.266 -8.152 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -5.816 4.493 -7.188 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -4.266 4.543 -9.104 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -5.511 5.251 -10.114 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -3.998 6.991 -9.338 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -5.589 7.243 -8.649 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -4.892 6.332 -6.511 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -3.362 5.793 -7.175 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -3.107 7.842 -5.938 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -2.753 8.106 -7.578 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -4.235 8.628 -6.934 1.00 1.72 H new