USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 120:sc= -5.11! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 7:sc= -3.51 USER MOD Single : A 35 ASN : amide:sc= -4.95 K(o=-4.9,f=-9!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.141 F(o=-1.8,f=-0.14) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -140:sc= 0 USER MOD Single : A 57 MET CE :methyl 150:sc= -0.388 (180deg=-1.58!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00194 F(o=-0.82,f=-0.0019) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.15) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -8.21! C(o=-11!,f=-8.2!) USER MOD Single : A 75 MET CE :methyl -170:sc= 0 (180deg=-0.14) USER MOD Single : A 81 MET CE :methyl 147:sc= -9.52! (180deg=-10.7!) USER MOD Single : A 82 THR OG1 : rot 73:sc= -1.44 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.129 F(o=-3.5!,f=-0.13) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 36:sc= 0.811 USER MOD Single : A 95 GLN : amide:sc= -4 K(o=-4,f=-6.6!) USER MOD Single : A 96 GLN : amide:sc= -2.62 K(o=-2.6,f=-4.8!) USER MOD Single : A 101 TYR OH : rot -153:sc= -0.589 USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 0.0971 (180deg=0.0046) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 10.081 -10.264 -4.716 1.00 0.00 N ATOM 62 CA GLY A 4 9.932 -9.063 -3.919 1.00 0.00 C ATOM 63 C GLY A 4 9.377 -7.913 -4.731 1.00 0.00 C ATOM 64 O GLY A 4 10.127 -7.181 -5.375 1.00 0.00 O ATOM 0 HA2 GLY A 4 9.270 -9.266 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.899 -8.781 -3.503 1.00 0.00 H new ATOM 68 N ILE A 5 8.059 -7.760 -4.708 1.00 0.00 N ATOM 69 CA ILE A 5 7.403 -6.696 -5.455 1.00 0.00 C ATOM 70 C ILE A 5 6.582 -5.798 -4.537 1.00 0.00 C ATOM 71 O ILE A 5 5.577 -6.226 -3.972 1.00 0.00 O ATOM 72 CB ILE A 5 6.470 -7.258 -6.550 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.157 -8.387 -7.325 1.00 0.00 C ATOM 74 CG2 ILE A 5 6.038 -6.146 -7.494 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.661 -9.766 -6.945 1.00 0.00 C ATOM 0 H ILE A 5 7.424 -8.359 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 5 8.198 -6.115 -5.922 1.00 0.00 H new ATOM 0 HB ILE A 5 5.584 -7.671 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.999 -8.234 -8.392 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.232 -8.335 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.381 -6.555 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.506 -5.378 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.917 -5.707 -7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.190 -10.517 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.844 -9.939 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.592 -9.836 -7.145 1.00 0.00 H new ATOM 87 N VAL A 6 7.005 -4.547 -4.405 1.00 0.00 N ATOM 88 CA VAL A 6 6.290 -3.589 -3.573 1.00 0.00 C ATOM 89 C VAL A 6 5.524 -2.602 -4.441 1.00 0.00 C ATOM 90 O VAL A 6 6.073 -2.043 -5.385 1.00 0.00 O ATOM 91 CB VAL A 6 7.234 -2.798 -2.649 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.154 -1.900 -3.457 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.419 -1.972 -1.668 1.00 0.00 C ATOM 0 H VAL A 6 7.837 -4.173 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 6 5.603 -4.166 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 6 7.852 -3.505 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.811 -1.351 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.754 -2.508 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.558 -1.195 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.091 -1.414 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.785 -1.276 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.795 -2.633 -1.066 1.00 0.00 H new ATOM 103 N TRP A 7 4.256 -2.391 -4.125 1.00 0.00 N ATOM 104 CA TRP A 7 3.435 -1.468 -4.895 1.00 0.00 C ATOM 105 C TRP A 7 2.953 -0.315 -4.021 1.00 0.00 C ATOM 106 O TRP A 7 2.550 -0.518 -2.876 1.00 0.00 O ATOM 107 CB TRP A 7 2.265 -2.220 -5.533 1.00 0.00 C ATOM 108 CG TRP A 7 2.671 -2.988 -6.761 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.945 -3.270 -7.168 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.804 -3.574 -7.739 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.924 -3.980 -8.341 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.623 -4.182 -8.711 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.419 -3.640 -7.891 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.100 -4.847 -9.815 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.100 -4.302 -8.989 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.740 -4.897 -9.938 1.00 0.00 C ATOM 0 H TRP A 7 3.775 -2.842 -3.347 1.00 0.00 H new ATOM 0 HA TRP A 7 4.038 -1.037 -5.694 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.839 -2.908 -4.803 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.481 -1.509 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.841 -2.976 -6.641 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.744 -4.304 -8.853 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.236 -3.183 -7.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.745 -5.307 -10.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.171 -4.361 -9.116 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.304 -5.406 -10.785 1.00 0.00 H new ATOM 127 N VAL A 8 3.030 0.902 -4.559 1.00 0.00 N ATOM 128 CA VAL A 8 2.634 2.094 -3.811 1.00 0.00 C ATOM 129 C VAL A 8 1.626 2.942 -4.583 1.00 0.00 C ATOM 130 O VAL A 8 1.763 3.151 -5.784 1.00 0.00 O ATOM 131 CB VAL A 8 3.856 2.984 -3.473 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.701 3.618 -2.096 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.164 2.200 -3.567 1.00 0.00 C ATOM 0 H VAL A 8 3.361 1.088 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 8 2.174 1.732 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 8 3.897 3.782 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.571 4.238 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.802 4.235 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.618 2.835 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.000 2.856 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.140 1.367 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.287 1.817 -4.580 1.00 0.00 H new ATOM 143 N VAL A 9 0.621 3.443 -3.879 1.00 0.00 N ATOM 144 CA VAL A 9 -0.393 4.288 -4.497 1.00 0.00 C ATOM 145 C VAL A 9 -0.517 5.620 -3.748 1.00 0.00 C ATOM 146 O VAL A 9 -0.886 5.651 -2.575 1.00 0.00 O ATOM 147 CB VAL A 9 -1.777 3.591 -4.568 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.405 3.836 -5.933 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.659 2.096 -4.301 1.00 0.00 C ATOM 0 H VAL A 9 0.485 3.280 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.066 4.477 -5.519 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.416 4.016 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.377 3.345 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.532 4.907 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.756 3.431 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.646 1.637 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.005 1.644 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.241 1.936 -3.307 1.00 0.00 H new ATOM 159 N ASP A 10 -0.183 6.716 -4.437 1.00 0.00 N ATOM 160 CA ASP A 10 -0.232 8.064 -3.856 1.00 0.00 C ATOM 161 C ASP A 10 -0.014 9.127 -4.932 1.00 0.00 C ATOM 162 O ASP A 10 -0.386 8.939 -6.088 1.00 0.00 O ATOM 163 CB ASP A 10 0.808 8.200 -2.736 1.00 0.00 C ATOM 164 CG ASP A 10 0.424 9.254 -1.704 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.431 10.107 -2.026 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.979 9.236 -0.581 1.00 0.00 O ATOM 0 H ASP A 10 0.128 6.696 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.222 8.219 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.929 7.237 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.774 8.458 -3.171 1.00 0.00 H new ATOM 171 N ASP A 11 0.580 10.247 -4.546 1.00 0.00 N ATOM 172 CA ASP A 11 0.824 11.347 -5.474 1.00 0.00 C ATOM 173 C ASP A 11 1.829 10.970 -6.563 1.00 0.00 C ATOM 174 O ASP A 11 2.089 11.760 -7.471 1.00 0.00 O ATOM 175 CB ASP A 11 1.339 12.567 -4.709 1.00 0.00 C ATOM 176 CG ASP A 11 0.886 13.872 -5.334 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.283 13.944 -5.769 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.697 14.820 -5.390 1.00 0.00 O ATOM 0 H ASP A 11 0.903 10.420 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.124 11.579 -5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.990 12.520 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.428 12.540 -4.678 1.00 0.00 H new ATOM 183 N ASP A 12 2.377 9.760 -6.489 1.00 0.00 N ATOM 184 CA ASP A 12 3.327 9.293 -7.492 1.00 0.00 C ATOM 185 C ASP A 12 4.507 10.266 -7.639 1.00 0.00 C ATOM 186 O ASP A 12 4.978 10.821 -6.648 1.00 0.00 O ATOM 187 CB ASP A 12 2.597 9.109 -8.825 1.00 0.00 C ATOM 188 CG ASP A 12 3.180 7.984 -9.655 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.369 8.074 -10.022 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.448 7.013 -9.937 1.00 0.00 O ATOM 0 H ASP A 12 2.180 9.088 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 12 3.741 8.337 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.543 8.907 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.645 10.038 -9.393 1.00 0.00 H new ATOM 195 N SER A 13 4.970 10.473 -8.879 1.00 0.00 N ATOM 196 CA SER A 13 6.077 11.376 -9.169 1.00 0.00 C ATOM 197 C SER A 13 7.157 11.364 -8.083 1.00 0.00 C ATOM 198 O SER A 13 8.081 10.552 -8.132 1.00 0.00 O ATOM 199 CB SER A 13 5.526 12.777 -9.402 1.00 0.00 C ATOM 200 OG SER A 13 6.405 13.548 -10.203 1.00 0.00 O ATOM 0 H SER A 13 4.583 10.016 -9.705 1.00 0.00 H new ATOM 0 HA SER A 13 6.575 11.026 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.552 12.711 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.373 13.274 -8.444 1.00 0.00 H new ATOM 0 HG SER A 13 6.026 14.442 -10.338 1.00 0.00 H new ATOM 206 N SER A 14 7.044 12.261 -7.113 1.00 0.00 N ATOM 207 CA SER A 14 8.020 12.342 -6.032 1.00 0.00 C ATOM 208 C SER A 14 8.075 11.037 -5.245 1.00 0.00 C ATOM 209 O SER A 14 9.151 10.486 -5.014 1.00 0.00 O ATOM 210 CB SER A 14 7.678 13.501 -5.095 1.00 0.00 C ATOM 211 OG SER A 14 8.845 14.030 -4.490 1.00 0.00 O ATOM 0 H SER A 14 6.288 12.943 -7.051 1.00 0.00 H new ATOM 0 HA SER A 14 9.000 12.517 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.167 14.285 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.989 13.158 -4.324 1.00 0.00 H new ATOM 0 HG SER A 14 8.599 14.771 -3.897 1.00 0.00 H new ATOM 217 N ILE A 15 6.911 10.549 -4.834 1.00 0.00 N ATOM 218 CA ILE A 15 6.830 9.310 -4.068 1.00 0.00 C ATOM 219 C ILE A 15 7.340 8.124 -4.878 1.00 0.00 C ATOM 220 O ILE A 15 7.891 7.169 -4.329 1.00 0.00 O ATOM 221 CB ILE A 15 5.384 9.016 -3.614 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.751 10.255 -2.972 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.364 7.842 -2.645 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.360 10.625 -1.636 1.00 0.00 C ATOM 0 H ILE A 15 6.010 10.991 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 15 7.460 9.448 -3.189 1.00 0.00 H new ATOM 0 HB ILE A 15 4.795 8.753 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.853 11.099 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.684 10.079 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.338 7.645 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.770 6.958 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.970 8.081 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.862 11.511 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.235 9.798 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.422 10.833 -1.765 1.00 0.00 H new ATOM 236 N ARG A 16 7.133 8.189 -6.184 1.00 0.00 N ATOM 237 CA ARG A 16 7.548 7.120 -7.087 1.00 0.00 C ATOM 238 C ARG A 16 9.068 7.054 -7.245 1.00 0.00 C ATOM 239 O ARG A 16 9.686 6.027 -6.965 1.00 0.00 O ATOM 240 CB ARG A 16 6.894 7.313 -8.457 1.00 0.00 C ATOM 241 CG ARG A 16 7.294 6.258 -9.476 1.00 0.00 C ATOM 242 CD ARG A 16 6.546 6.431 -10.787 1.00 0.00 C ATOM 243 NE ARG A 16 7.380 6.095 -11.937 1.00 0.00 N ATOM 244 CZ ARG A 16 6.912 5.588 -13.075 1.00 0.00 C ATOM 245 NH1 ARG A 16 5.615 5.344 -13.224 1.00 0.00 N ATOM 246 NH2 ARG A 16 7.746 5.322 -14.069 1.00 0.00 N ATOM 0 H ARG A 16 6.677 8.975 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 16 7.222 6.177 -6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.811 7.299 -8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.160 8.297 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.367 6.317 -9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.094 5.266 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.658 5.798 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.203 7.462 -10.876 1.00 0.00 H new ATOM 0 HE ARG A 16 8.384 6.259 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.967 5.545 -12.462 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.267 4.955 -14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.743 5.506 -13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.391 4.933 -14.943 1.00 0.00 H new ATOM 260 N TRP A 17 9.659 8.145 -7.720 1.00 0.00 N ATOM 261 CA TRP A 17 11.104 8.206 -7.948 1.00 0.00 C ATOM 262 C TRP A 17 11.906 7.690 -6.758 1.00 0.00 C ATOM 263 O TRP A 17 12.878 6.952 -6.926 1.00 0.00 O ATOM 264 CB TRP A 17 11.534 9.639 -8.260 1.00 0.00 C ATOM 265 CG TRP A 17 12.983 9.748 -8.633 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.550 9.411 -9.831 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.055 10.214 -7.800 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.903 9.644 -9.795 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.238 10.136 -8.560 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.129 10.691 -6.487 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.477 10.517 -8.051 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.361 11.068 -5.984 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.520 10.979 -6.764 1.00 0.00 C ATOM 0 H TRP A 17 9.161 9.003 -7.956 1.00 0.00 H new ATOM 0 HA TRP A 17 11.313 7.558 -8.799 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.924 10.026 -9.076 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.340 10.268 -7.391 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.012 9.019 -10.681 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.553 9.478 -10.563 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.240 10.764 -5.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.372 10.450 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.430 11.438 -4.972 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.467 11.281 -6.341 1.00 0.00 H new ATOM 284 N VAL A 18 11.517 8.098 -5.562 1.00 0.00 N ATOM 285 CA VAL A 18 12.232 7.686 -4.361 1.00 0.00 C ATOM 286 C VAL A 18 12.078 6.199 -4.091 1.00 0.00 C ATOM 287 O VAL A 18 13.059 5.458 -4.042 1.00 0.00 O ATOM 288 CB VAL A 18 11.778 8.463 -3.104 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.890 8.474 -2.066 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.355 9.888 -3.444 1.00 0.00 C ATOM 0 H VAL A 18 10.717 8.709 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 18 13.279 7.915 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 18 10.908 7.952 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.560 9.024 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.135 7.450 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.774 8.956 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.043 10.402 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.195 10.420 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.525 9.862 -4.150 1.00 0.00 H new ATOM 300 N LEU A 19 10.845 5.781 -3.875 1.00 0.00 N ATOM 301 CA LEU A 19 10.548 4.387 -3.556 1.00 0.00 C ATOM 302 C LEU A 19 10.836 3.438 -4.716 1.00 0.00 C ATOM 303 O LEU A 19 11.084 2.252 -4.500 1.00 0.00 O ATOM 304 CB LEU A 19 9.091 4.243 -3.112 1.00 0.00 C ATOM 305 CG LEU A 19 8.793 4.739 -1.703 1.00 0.00 C ATOM 306 CD1 LEU A 19 7.302 4.955 -1.535 1.00 0.00 C ATOM 307 CD2 LEU A 19 9.312 3.746 -0.673 1.00 0.00 C ATOM 0 H LEU A 19 10.025 6.387 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 19 11.213 4.104 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.458 4.787 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.810 3.192 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 19 9.302 5.690 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.097 5.310 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.958 5.696 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.777 4.015 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.092 4.113 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.826 2.781 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.390 3.631 -0.789 1.00 0.00 H new ATOM 319 N GLU A 20 10.794 3.941 -5.939 1.00 0.00 N ATOM 320 CA GLU A 20 11.041 3.092 -7.099 1.00 0.00 C ATOM 321 C GLU A 20 12.481 2.587 -7.128 1.00 0.00 C ATOM 322 O GLU A 20 12.727 1.382 -7.133 1.00 0.00 O ATOM 323 CB GLU A 20 10.690 3.811 -8.412 1.00 0.00 C ATOM 324 CG GLU A 20 11.659 4.897 -8.845 1.00 0.00 C ATOM 325 CD GLU A 20 11.340 5.447 -10.222 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.151 5.435 -10.605 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.279 5.885 -10.920 1.00 0.00 O ATOM 0 H GLU A 20 10.595 4.918 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 20 10.384 2.227 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.627 3.068 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.699 4.253 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.637 5.710 -8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.673 4.496 -8.844 1.00 0.00 H new ATOM 334 N ARG A 21 13.424 3.511 -7.163 1.00 0.00 N ATOM 335 CA ARG A 21 14.837 3.158 -7.216 1.00 0.00 C ATOM 336 C ARG A 21 15.355 2.652 -5.870 1.00 0.00 C ATOM 337 O ARG A 21 15.835 1.523 -5.770 1.00 0.00 O ATOM 338 CB ARG A 21 15.666 4.356 -7.692 1.00 0.00 C ATOM 339 CG ARG A 21 15.273 4.855 -9.076 1.00 0.00 C ATOM 340 CD ARG A 21 16.335 4.544 -10.119 1.00 0.00 C ATOM 341 NE ARG A 21 15.757 4.405 -11.456 1.00 0.00 N ATOM 342 CZ ARG A 21 16.474 4.359 -12.578 1.00 0.00 C ATOM 343 NH1 ARG A 21 17.798 4.437 -12.532 1.00 0.00 N ATOM 344 NH2 ARG A 21 15.865 4.234 -13.752 1.00 0.00 N ATOM 0 H ARG A 21 13.240 4.514 -7.156 1.00 0.00 H new ATOM 0 HA ARG A 21 14.943 2.342 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.557 5.171 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.720 4.078 -7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.330 4.396 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.106 5.932 -9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.081 5.338 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.852 3.623 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 21 14.742 4.339 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.272 4.533 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.341 4.401 -13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.848 4.173 -13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.415 4.199 -14.610 1.00 0.00 H new ATOM 358 N ALA A 22 15.269 3.487 -4.840 1.00 0.00 N ATOM 359 CA ALA A 22 15.746 3.110 -3.509 1.00 0.00 C ATOM 360 C ALA A 22 15.285 1.715 -3.108 1.00 0.00 C ATOM 361 O ALA A 22 16.090 0.877 -2.705 1.00 0.00 O ATOM 362 CB ALA A 22 15.307 4.134 -2.473 1.00 0.00 C ATOM 0 H ALA A 22 14.875 4.426 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 22 16.835 3.093 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.671 3.836 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.716 5.111 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.219 4.190 -2.455 1.00 0.00 H new ATOM 368 N LEU A 23 13.992 1.475 -3.216 1.00 0.00 N ATOM 369 CA LEU A 23 13.432 0.176 -2.856 1.00 0.00 C ATOM 370 C LEU A 23 13.994 -0.920 -3.748 1.00 0.00 C ATOM 371 O LEU A 23 14.167 -2.069 -3.320 1.00 0.00 O ATOM 372 CB LEU A 23 11.904 0.199 -2.941 1.00 0.00 C ATOM 373 CG LEU A 23 11.186 -0.970 -2.254 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.068 -2.153 -3.201 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.905 -1.382 -0.977 1.00 0.00 C ATOM 0 H LEU A 23 13.308 2.155 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 23 13.716 -0.038 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.547 1.130 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.616 0.212 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 23 10.184 -0.637 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.556 -2.973 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.499 -1.858 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.064 -2.478 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.374 -2.212 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.923 -1.691 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.934 -0.538 -0.288 1.00 0.00 H new ATOM 387 N ALA A 24 14.292 -0.563 -4.987 1.00 0.00 N ATOM 388 CA ALA A 24 14.854 -1.518 -5.922 1.00 0.00 C ATOM 389 C ALA A 24 16.232 -1.948 -5.447 1.00 0.00 C ATOM 390 O ALA A 24 16.623 -3.104 -5.607 1.00 0.00 O ATOM 391 CB ALA A 24 14.922 -0.930 -7.322 1.00 0.00 C ATOM 0 H ALA A 24 14.155 0.375 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 24 14.206 -2.394 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.347 -1.665 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.918 -0.664 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.549 -0.039 -7.312 1.00 0.00 H new ATOM 397 N GLY A 25 16.956 -1.013 -4.838 1.00 0.00 N ATOM 398 CA GLY A 25 18.273 -1.325 -4.324 1.00 0.00 C ATOM 399 C GLY A 25 18.207 -2.368 -3.228 1.00 0.00 C ATOM 400 O GLY A 25 19.175 -3.087 -2.981 1.00 0.00 O ATOM 0 H GLY A 25 16.654 -0.050 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.905 -1.687 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.738 -0.418 -3.938 1.00 0.00 H new ATOM 404 N ALA A 26 17.050 -2.454 -2.571 1.00 0.00 N ATOM 405 CA ALA A 26 16.847 -3.416 -1.500 1.00 0.00 C ATOM 406 C ALA A 26 16.617 -4.819 -2.056 1.00 0.00 C ATOM 407 O ALA A 26 16.725 -5.808 -1.332 1.00 0.00 O ATOM 408 CB ALA A 26 15.674 -2.995 -0.629 1.00 0.00 C ATOM 0 H ALA A 26 16.240 -1.865 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 26 17.750 -3.439 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.533 -3.724 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.876 -2.016 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.770 -2.943 -1.236 1.00 0.00 H new ATOM 414 N GLY A 27 16.317 -4.902 -3.351 1.00 0.00 N ATOM 415 CA GLY A 27 16.100 -6.191 -3.975 1.00 0.00 C ATOM 416 C GLY A 27 14.649 -6.460 -4.339 1.00 0.00 C ATOM 417 O GLY A 27 14.292 -7.599 -4.633 1.00 0.00 O ATOM 0 H GLY A 27 16.221 -4.101 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.709 -6.255 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.447 -6.974 -3.300 1.00 0.00 H new ATOM 421 N LEU A 28 13.801 -5.428 -4.327 1.00 0.00 N ATOM 422 CA LEU A 28 12.400 -5.620 -4.670 1.00 0.00 C ATOM 423 C LEU A 28 11.954 -4.649 -5.763 1.00 0.00 C ATOM 424 O LEU A 28 12.703 -3.762 -6.158 1.00 0.00 O ATOM 425 CB LEU A 28 11.509 -5.493 -3.431 1.00 0.00 C ATOM 426 CG LEU A 28 12.202 -5.782 -2.098 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.776 -4.508 -1.500 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.238 -6.450 -1.124 1.00 0.00 C ATOM 0 H LEU A 28 14.058 -4.470 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 28 12.294 -6.631 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.101 -4.483 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.665 -6.174 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 28 13.027 -6.469 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.264 -4.738 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.504 -4.079 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.972 -3.792 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.751 -6.647 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.388 -5.791 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.885 -7.390 -1.548 1.00 0.00 H new ATOM 440 N THR A 29 10.735 -4.840 -6.261 1.00 0.00 N ATOM 441 CA THR A 29 10.199 -3.992 -7.325 1.00 0.00 C ATOM 442 C THR A 29 9.155 -3.020 -6.786 1.00 0.00 C ATOM 443 O THR A 29 8.083 -3.429 -6.346 1.00 0.00 O ATOM 444 CB THR A 29 9.580 -4.860 -8.422 1.00 0.00 C ATOM 445 OG1 THR A 29 10.567 -5.660 -9.046 1.00 0.00 O ATOM 446 CG2 THR A 29 8.881 -4.063 -9.505 1.00 0.00 C ATOM 0 H THR A 29 10.100 -5.573 -5.946 1.00 0.00 H new ATOM 0 HA THR A 29 11.023 -3.411 -7.740 1.00 0.00 H new ATOM 0 HB THR A 29 8.836 -5.473 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.151 -6.209 -9.743 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.467 -4.744 -10.248 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.076 -3.476 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.597 -3.395 -9.984 1.00 0.00 H new ATOM 454 N CYS A 30 9.469 -1.732 -6.830 1.00 0.00 N ATOM 455 CA CYS A 30 8.546 -0.715 -6.348 1.00 0.00 C ATOM 456 C CYS A 30 7.926 0.076 -7.489 1.00 0.00 C ATOM 457 O CYS A 30 8.608 0.823 -8.191 1.00 0.00 O ATOM 458 CB CYS A 30 9.236 0.236 -5.377 1.00 0.00 C ATOM 459 SG CYS A 30 8.094 1.367 -4.555 1.00 0.00 S ATOM 0 H CYS A 30 10.351 -1.369 -7.192 1.00 0.00 H new ATOM 0 HA CYS A 30 7.747 -1.239 -5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.766 -0.346 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.985 0.815 -5.917 1.00 0.00 H new ATOM 0 HG CYS A 30 8.153 1.185 -3.269 1.00 0.00 H new ATOM 465 N THR A 31 6.618 -0.077 -7.642 1.00 0.00 N ATOM 466 CA THR A 31 5.877 0.636 -8.666 1.00 0.00 C ATOM 467 C THR A 31 4.847 1.530 -7.986 1.00 0.00 C ATOM 468 O THR A 31 4.434 1.254 -6.860 1.00 0.00 O ATOM 469 CB THR A 31 5.194 -0.339 -9.638 1.00 0.00 C ATOM 470 OG1 THR A 31 4.894 0.308 -10.863 1.00 0.00 O ATOM 471 CG2 THR A 31 3.896 -0.917 -9.117 1.00 0.00 C ATOM 0 H THR A 31 6.047 -0.694 -7.064 1.00 0.00 H new ATOM 0 HA THR A 31 6.565 1.245 -9.252 1.00 0.00 H new ATOM 0 HB THR A 31 5.910 -1.151 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.461 -0.327 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.476 -1.595 -9.860 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.086 -1.463 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.190 -0.109 -8.922 1.00 0.00 H new ATOM 479 N THR A 32 4.448 2.606 -8.644 1.00 0.00 N ATOM 480 CA THR A 32 3.485 3.516 -8.050 1.00 0.00 C ATOM 481 C THR A 32 2.289 3.759 -8.960 1.00 0.00 C ATOM 482 O THR A 32 2.350 3.531 -10.169 1.00 0.00 O ATOM 483 CB THR A 32 4.173 4.828 -7.691 1.00 0.00 C ATOM 484 OG1 THR A 32 4.595 5.521 -8.856 1.00 0.00 O ATOM 485 CG2 THR A 32 5.389 4.616 -6.815 1.00 0.00 C ATOM 0 H THR A 32 4.771 2.868 -9.576 1.00 0.00 H new ATOM 0 HA THR A 32 3.098 3.053 -7.142 1.00 0.00 H new ATOM 0 HB THR A 32 3.432 5.413 -7.146 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.256 5.060 -9.652 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.845 5.579 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.089 4.127 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.110 3.989 -7.339 1.00 0.00 H new ATOM 493 N PHE A 33 1.197 4.212 -8.355 1.00 0.00 N ATOM 494 CA PHE A 33 -0.035 4.482 -9.078 1.00 0.00 C ATOM 495 C PHE A 33 -0.627 5.835 -8.665 1.00 0.00 C ATOM 496 O PHE A 33 -0.094 6.516 -7.787 1.00 0.00 O ATOM 497 CB PHE A 33 -1.042 3.348 -8.889 1.00 0.00 C ATOM 498 CG PHE A 33 -0.492 1.984 -9.189 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.507 1.436 -8.401 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.984 1.243 -10.249 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.002 0.173 -8.665 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.493 -0.017 -10.522 1.00 0.00 C ATOM 503 CZ PHE A 33 0.499 -0.555 -9.730 1.00 0.00 C ATOM 0 H PHE A 33 1.143 4.401 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 33 0.201 4.536 -10.141 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.403 3.364 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.903 3.530 -9.532 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.903 2.002 -7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.763 1.657 -10.871 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.779 -0.245 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.885 -0.581 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.883 -1.542 -9.940 1.00 0.00 H new ATOM 513 N GLU A 34 -1.691 6.243 -9.352 1.00 0.00 N ATOM 514 CA GLU A 34 -2.327 7.541 -9.128 1.00 0.00 C ATOM 515 C GLU A 34 -2.870 7.746 -7.706 1.00 0.00 C ATOM 516 O GLU A 34 -2.545 8.749 -7.074 1.00 0.00 O ATOM 517 CB GLU A 34 -3.458 7.711 -10.136 1.00 0.00 C ATOM 518 CG GLU A 34 -4.377 6.503 -10.223 1.00 0.00 C ATOM 519 CD GLU A 34 -5.812 6.817 -9.852 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.284 7.926 -10.182 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.465 5.949 -9.233 1.00 0.00 O ATOM 0 H GLU A 34 -2.137 5.684 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.551 8.295 -9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.047 8.587 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.031 7.905 -11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.349 6.106 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.001 5.720 -9.564 1.00 0.00 H new ATOM 528 N ASN A 35 -3.703 6.840 -7.199 1.00 0.00 N ATOM 529 CA ASN A 35 -4.255 7.022 -5.854 1.00 0.00 C ATOM 530 C ASN A 35 -4.701 5.715 -5.217 1.00 0.00 C ATOM 531 O ASN A 35 -4.621 5.555 -3.999 1.00 0.00 O ATOM 532 CB ASN A 35 -5.420 8.011 -5.882 1.00 0.00 C ATOM 533 CG ASN A 35 -6.518 7.584 -6.834 1.00 0.00 C ATOM 534 OD1 ASN A 35 -7.019 6.462 -6.759 1.00 0.00 O ATOM 535 ND2 ASN A 35 -6.899 8.479 -7.735 1.00 0.00 N ATOM 0 H ASN A 35 -4.006 5.994 -7.681 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.449 7.422 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.832 8.111 -4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.051 8.994 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.635 8.249 -8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.456 9.397 -7.761 1.00 0.00 H new ATOM 542 N GLY A 36 -5.162 4.784 -6.033 1.00 0.00 N ATOM 543 CA GLY A 36 -5.600 3.510 -5.504 1.00 0.00 C ATOM 544 C GLY A 36 -6.363 2.674 -6.507 1.00 0.00 C ATOM 545 O GLY A 36 -6.049 1.502 -6.709 1.00 0.00 O ATOM 0 H GLY A 36 -5.241 4.884 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.731 2.949 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.231 3.684 -4.632 1.00 0.00 H new ATOM 549 N ASN A 37 -7.374 3.268 -7.128 1.00 0.00 N ATOM 550 CA ASN A 37 -8.188 2.552 -8.101 1.00 0.00 C ATOM 551 C ASN A 37 -7.323 1.978 -9.212 1.00 0.00 C ATOM 552 O ASN A 37 -7.645 0.940 -9.791 1.00 0.00 O ATOM 553 CB ASN A 37 -9.272 3.463 -8.675 1.00 0.00 C ATOM 554 CG ASN A 37 -10.669 2.938 -8.401 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.899 2.477 -7.173 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.531 2.946 -9.280 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.649 4.239 -6.976 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.676 1.723 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.170 4.460 -8.246 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.128 3.562 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.310 3.309 -10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.466 2.590 -9.081 1.00 0.00 H new ATOM 563 N GLU A 38 -6.217 2.651 -9.501 1.00 0.00 N ATOM 564 CA GLU A 38 -5.311 2.188 -10.538 1.00 0.00 C ATOM 565 C GLU A 38 -4.732 0.824 -10.182 1.00 0.00 C ATOM 566 O GLU A 38 -4.823 -0.113 -10.975 1.00 0.00 O ATOM 567 CB GLU A 38 -4.184 3.192 -10.762 1.00 0.00 C ATOM 568 CG GLU A 38 -3.992 3.571 -12.222 1.00 0.00 C ATOM 569 CD GLU A 38 -2.532 3.752 -12.591 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.954 4.798 -12.228 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.967 2.848 -13.241 1.00 0.00 O ATOM 0 H GLU A 38 -5.929 3.512 -9.035 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.882 2.094 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.391 4.093 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.254 2.774 -10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.430 2.799 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.532 4.495 -12.428 1.00 0.00 H new ATOM 578 N VAL A 39 -4.131 0.701 -8.992 1.00 0.00 N ATOM 579 CA VAL A 39 -3.552 -0.580 -8.590 1.00 0.00 C ATOM 580 C VAL A 39 -4.572 -1.707 -8.692 1.00 0.00 C ATOM 581 O VAL A 39 -4.234 -2.826 -9.072 1.00 0.00 O ATOM 582 CB VAL A 39 -3.007 -0.551 -7.155 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.102 -1.749 -6.908 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.273 0.749 -6.889 1.00 0.00 C ATOM 0 H VAL A 39 -4.035 1.453 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.727 -0.760 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.847 -0.610 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.723 -1.714 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.668 -2.669 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.265 -1.723 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.894 0.750 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.440 0.845 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.957 1.587 -7.024 1.00 0.00 H new ATOM 594 N LEU A 40 -5.823 -1.409 -8.349 1.00 0.00 N ATOM 595 CA LEU A 40 -6.883 -2.413 -8.410 1.00 0.00 C ATOM 596 C LEU A 40 -6.945 -3.037 -9.797 1.00 0.00 C ATOM 597 O LEU A 40 -7.085 -4.252 -9.941 1.00 0.00 O ATOM 598 CB LEU A 40 -8.240 -1.798 -8.063 1.00 0.00 C ATOM 599 CG LEU A 40 -8.259 -0.896 -6.828 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.684 -0.470 -6.512 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.640 -1.605 -5.630 1.00 0.00 C ATOM 0 H LEU A 40 -6.126 -0.489 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.652 -3.187 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.586 -1.219 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.957 -2.605 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.665 -0.008 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.685 0.172 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.097 0.077 -7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.293 -1.353 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.665 -0.944 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.205 -2.511 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.607 -1.868 -5.857 1.00 0.00 H new ATOM 613 N ALA A 41 -6.836 -2.194 -10.818 1.00 0.00 N ATOM 614 CA ALA A 41 -6.874 -2.654 -12.200 1.00 0.00 C ATOM 615 C ALA A 41 -5.631 -3.460 -12.540 1.00 0.00 C ATOM 616 O ALA A 41 -5.710 -4.540 -13.124 1.00 0.00 O ATOM 617 CB ALA A 41 -7.007 -1.468 -13.140 1.00 0.00 C ATOM 0 H ALA A 41 -6.720 -1.186 -10.713 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.741 -3.303 -12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.035 -1.822 -14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.927 -0.928 -12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.155 -0.802 -13.008 1.00 0.00 H new ATOM 623 N ALA A 42 -4.486 -2.919 -12.167 1.00 0.00 N ATOM 624 CA ALA A 42 -3.206 -3.568 -12.421 1.00 0.00 C ATOM 625 C ALA A 42 -3.089 -4.877 -11.649 1.00 0.00 C ATOM 626 O ALA A 42 -2.484 -5.839 -12.125 1.00 0.00 O ATOM 627 CB ALA A 42 -2.060 -2.633 -12.055 1.00 0.00 C ATOM 0 H ALA A 42 -4.413 -2.024 -11.683 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.149 -3.799 -13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.109 -3.129 -12.249 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.125 -1.726 -12.655 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.125 -2.374 -10.998 1.00 0.00 H new ATOM 633 N LEU A 43 -3.660 -4.902 -10.449 1.00 0.00 N ATOM 634 CA LEU A 43 -3.612 -6.085 -9.601 1.00 0.00 C ATOM 635 C LEU A 43 -4.401 -7.247 -10.200 1.00 0.00 C ATOM 636 O LEU A 43 -4.137 -8.410 -9.897 1.00 0.00 O ATOM 637 CB LEU A 43 -4.149 -5.762 -8.209 1.00 0.00 C ATOM 638 CG LEU A 43 -3.127 -5.169 -7.246 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.817 -4.611 -6.011 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.113 -6.228 -6.859 1.00 0.00 C ATOM 0 H LEU A 43 -4.163 -4.113 -10.042 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.568 -6.390 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.979 -5.063 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.552 -6.675 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.608 -4.349 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.071 -4.192 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.518 -3.830 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.358 -5.410 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.384 -5.800 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.623 -7.061 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.601 -6.586 -7.753 1.00 0.00 H new ATOM 652 N ALA A 44 -5.373 -6.927 -11.044 1.00 0.00 N ATOM 653 CA ALA A 44 -6.205 -7.949 -11.675 1.00 0.00 C ATOM 654 C ALA A 44 -5.372 -8.960 -12.457 1.00 0.00 C ATOM 655 O ALA A 44 -5.839 -10.057 -12.760 1.00 0.00 O ATOM 656 CB ALA A 44 -7.237 -7.300 -12.587 1.00 0.00 C ATOM 0 H ALA A 44 -5.606 -5.970 -11.309 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.717 -8.491 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.850 -8.073 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.872 -6.635 -12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.728 -6.727 -13.362 1.00 0.00 H new ATOM 662 N SER A 45 -4.140 -8.589 -12.790 1.00 0.00 N ATOM 663 CA SER A 45 -3.260 -9.467 -13.540 1.00 0.00 C ATOM 664 C SER A 45 -1.967 -9.766 -12.778 1.00 0.00 C ATOM 665 O SER A 45 -1.183 -10.619 -13.192 1.00 0.00 O ATOM 666 CB SER A 45 -2.937 -8.853 -14.904 1.00 0.00 C ATOM 667 OG SER A 45 -3.523 -9.604 -15.954 1.00 0.00 O ATOM 0 H SER A 45 -3.732 -7.685 -12.551 1.00 0.00 H new ATOM 0 HA SER A 45 -3.784 -10.412 -13.684 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.302 -7.826 -14.940 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.856 -8.812 -15.041 1.00 0.00 H new ATOM 0 HG SER A 45 -3.303 -9.190 -16.815 1.00 0.00 H new ATOM 673 N LYS A 46 -1.743 -9.066 -11.668 1.00 0.00 N ATOM 674 CA LYS A 46 -0.543 -9.273 -10.870 1.00 0.00 C ATOM 675 C LYS A 46 -0.802 -8.995 -9.394 1.00 0.00 C ATOM 676 O LYS A 46 -1.733 -8.274 -9.040 1.00 0.00 O ATOM 677 CB LYS A 46 0.592 -8.381 -11.371 1.00 0.00 C ATOM 678 CG LYS A 46 1.935 -9.088 -11.445 1.00 0.00 C ATOM 679 CD LYS A 46 2.996 -8.353 -10.642 1.00 0.00 C ATOM 680 CE LYS A 46 4.361 -8.428 -11.312 1.00 0.00 C ATOM 681 NZ LYS A 46 4.907 -7.077 -11.623 1.00 0.00 N ATOM 0 H LYS A 46 -2.376 -8.354 -11.304 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.254 -10.318 -10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.335 -8.002 -12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.682 -7.517 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.833 -10.106 -11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.251 -9.163 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.705 -7.309 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.057 -8.782 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.056 -8.958 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.282 -9.007 -12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.837 -7.175 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.258 -6.580 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.008 -6.532 -10.743 1.00 0.00 H new ATOM 695 N THR A 47 0.030 -9.576 -8.539 1.00 0.00 N ATOM 696 CA THR A 47 -0.099 -9.395 -7.103 1.00 0.00 C ATOM 697 C THR A 47 1.268 -9.223 -6.438 1.00 0.00 C ATOM 698 O THR A 47 2.056 -10.168 -6.384 1.00 0.00 O ATOM 699 CB THR A 47 -0.833 -10.589 -6.487 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.158 -10.675 -6.983 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.913 -10.538 -4.974 1.00 0.00 C ATOM 0 H THR A 47 0.804 -10.179 -8.819 1.00 0.00 H new ATOM 0 HA THR A 47 -0.676 -8.487 -6.930 1.00 0.00 H new ATOM 0 HB THR A 47 -0.244 -11.461 -6.772 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.609 -11.445 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.446 -11.415 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.094 -10.525 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.444 -9.637 -4.668 1.00 0.00 H new ATOM 709 N PRO A 48 1.567 -8.026 -5.896 1.00 0.00 N ATOM 710 CA PRO A 48 2.838 -7.775 -5.216 1.00 0.00 C ATOM 711 C PRO A 48 2.861 -8.413 -3.833 1.00 0.00 C ATOM 712 O PRO A 48 1.818 -8.805 -3.309 1.00 0.00 O ATOM 713 CB PRO A 48 2.883 -6.252 -5.105 1.00 0.00 C ATOM 714 CG PRO A 48 1.454 -5.839 -5.047 1.00 0.00 C ATOM 715 CD PRO A 48 0.692 -6.836 -5.880 1.00 0.00 C ATOM 0 HA PRO A 48 3.690 -8.195 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.424 -5.935 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.390 -5.807 -5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.092 -5.834 -4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.325 -4.829 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.281 -7.061 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.510 -6.460 -6.887 1.00 0.00 H new ATOM 723 N ASP A 49 4.042 -8.517 -3.238 1.00 0.00 N ATOM 724 CA ASP A 49 4.168 -9.110 -1.912 1.00 0.00 C ATOM 725 C ASP A 49 3.642 -8.149 -0.849 1.00 0.00 C ATOM 726 O ASP A 49 3.217 -8.566 0.229 1.00 0.00 O ATOM 727 CB ASP A 49 5.625 -9.463 -1.619 1.00 0.00 C ATOM 728 CG ASP A 49 6.092 -10.682 -2.391 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.396 -10.541 -3.594 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.153 -11.777 -1.793 1.00 0.00 O ATOM 0 H ASP A 49 4.921 -8.201 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 49 3.575 -10.024 -1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.259 -8.613 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.744 -9.645 -0.551 1.00 0.00 H new ATOM 735 N VAL A 50 3.667 -6.860 -1.170 1.00 0.00 N ATOM 736 CA VAL A 50 3.191 -5.827 -0.264 1.00 0.00 C ATOM 737 C VAL A 50 2.555 -4.698 -1.080 1.00 0.00 C ATOM 738 O VAL A 50 2.782 -4.604 -2.284 1.00 0.00 O ATOM 739 CB VAL A 50 4.352 -5.287 0.600 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.487 -4.793 -0.277 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.883 -4.190 1.546 1.00 0.00 C ATOM 0 H VAL A 50 4.016 -6.506 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 50 2.444 -6.251 0.407 1.00 0.00 H new ATOM 0 HB VAL A 50 4.721 -6.111 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.295 -4.417 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.857 -5.615 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.126 -3.992 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.727 -3.834 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.471 -3.363 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.115 -4.586 2.211 1.00 0.00 H new ATOM 751 N LEU A 51 1.749 -3.855 -0.440 1.00 0.00 N ATOM 752 CA LEU A 51 1.089 -2.768 -1.156 1.00 0.00 C ATOM 753 C LEU A 51 0.789 -1.593 -0.238 1.00 0.00 C ATOM 754 O LEU A 51 0.476 -1.761 0.940 1.00 0.00 O ATOM 755 CB LEU A 51 -0.218 -3.257 -1.790 1.00 0.00 C ATOM 756 CG LEU A 51 -1.014 -2.184 -2.543 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.380 -1.898 -3.897 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.466 -2.611 -2.716 1.00 0.00 C ATOM 0 H LEU A 51 1.539 -3.902 0.557 1.00 0.00 H new ATOM 0 HA LEU A 51 1.774 -2.434 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.012 -4.069 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.850 -3.674 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.994 -1.269 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.959 -1.134 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.641 -1.544 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.367 -2.811 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.012 -1.835 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.507 -3.541 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.920 -2.763 -1.737 1.00 0.00 H new ATOM 770 N LEU A 52 0.894 -0.397 -0.807 1.00 0.00 N ATOM 771 CA LEU A 52 0.644 0.838 -0.081 1.00 0.00 C ATOM 772 C LEU A 52 -0.357 1.693 -0.851 1.00 0.00 C ATOM 773 O LEU A 52 -0.063 2.125 -1.958 1.00 0.00 O ATOM 774 CB LEU A 52 1.949 1.616 0.081 1.00 0.00 C ATOM 775 CG LEU A 52 3.001 0.977 0.989 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.386 1.037 0.347 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.013 1.671 2.340 1.00 0.00 C ATOM 0 H LEU A 52 1.155 -0.259 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 52 0.239 0.597 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.388 1.760 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.713 2.606 0.472 1.00 0.00 H new ATOM 0 HG LEU A 52 2.741 -0.072 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.116 0.576 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.371 0.501 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.661 2.077 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.765 1.209 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.250 2.726 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.032 1.576 2.806 1.00 0.00 H new ATOM 789 N SER A 53 -1.539 1.923 -0.283 1.00 0.00 N ATOM 790 CA SER A 53 -2.567 2.714 -0.967 1.00 0.00 C ATOM 791 C SER A 53 -2.744 4.103 -0.363 1.00 0.00 C ATOM 792 O SER A 53 -2.669 4.286 0.851 1.00 0.00 O ATOM 793 CB SER A 53 -3.907 1.974 -0.937 1.00 0.00 C ATOM 794 OG SER A 53 -4.484 1.906 -2.229 1.00 0.00 O ATOM 0 H SER A 53 -1.810 1.579 0.638 1.00 0.00 H new ATOM 0 HA SER A 53 -2.229 2.844 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.760 0.966 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.591 2.482 -0.257 1.00 0.00 H new ATOM 0 HG SER A 53 -5.451 2.048 -2.163 1.00 0.00 H new ATOM 800 N ASP A 54 -3.007 5.082 -1.228 1.00 0.00 N ATOM 801 CA ASP A 54 -3.229 6.446 -0.779 1.00 0.00 C ATOM 802 C ASP A 54 -4.592 6.553 -0.119 1.00 0.00 C ATOM 803 O ASP A 54 -5.353 5.586 -0.080 1.00 0.00 O ATOM 804 CB ASP A 54 -3.154 7.429 -1.948 1.00 0.00 C ATOM 805 CG ASP A 54 -2.889 8.847 -1.485 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.046 9.018 -0.580 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.526 9.780 -2.018 1.00 0.00 O ATOM 0 H ASP A 54 -3.070 4.952 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.448 6.699 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.364 7.118 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.090 7.399 -2.506 1.00 0.00 H new ATOM 812 N ILE A 55 -4.901 7.730 0.397 1.00 0.00 N ATOM 813 CA ILE A 55 -6.172 7.952 1.049 1.00 0.00 C ATOM 814 C ILE A 55 -6.596 9.415 0.974 1.00 0.00 C ATOM 815 O ILE A 55 -6.413 10.176 1.923 1.00 0.00 O ATOM 816 CB ILE A 55 -6.109 7.497 2.514 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.359 7.924 3.291 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.862 8.050 3.164 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.528 7.193 4.602 1.00 0.00 C ATOM 0 H ILE A 55 -4.287 8.544 0.375 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.919 7.359 0.521 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.073 6.408 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.309 8.996 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.239 7.752 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.819 7.726 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.983 7.685 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.883 9.139 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.432 7.544 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.609 6.122 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.665 7.385 5.239 1.00 0.00 H new ATOM 831 N ARG A 56 -7.173 9.793 -0.164 1.00 0.00 N ATOM 832 CA ARG A 56 -7.644 11.157 -0.386 1.00 0.00 C ATOM 833 C ARG A 56 -8.097 11.333 -1.833 1.00 0.00 C ATOM 834 O ARG A 56 -7.621 12.223 -2.538 1.00 0.00 O ATOM 835 CB ARG A 56 -6.542 12.174 -0.059 1.00 0.00 C ATOM 836 CG ARG A 56 -5.330 12.084 -0.976 1.00 0.00 C ATOM 837 CD ARG A 56 -4.934 13.447 -1.521 1.00 0.00 C ATOM 838 NE ARG A 56 -3.566 13.809 -1.151 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.871 14.780 -1.738 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.411 15.485 -2.726 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.634 15.048 -1.340 1.00 0.00 N ATOM 0 H ARG A 56 -7.327 9.166 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.490 11.335 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.959 13.179 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.218 12.026 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.491 11.653 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.550 11.411 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.027 13.444 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.623 14.202 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.118 13.286 -0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.361 15.283 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.875 16.229 -3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.214 14.509 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.103 15.793 -1.791 1.00 0.00 H new ATOM 855 N MET A 57 -9.010 10.471 -2.277 1.00 0.00 N ATOM 856 CA MET A 57 -9.508 10.537 -3.648 1.00 0.00 C ATOM 857 C MET A 57 -10.811 9.754 -3.835 1.00 0.00 C ATOM 858 O MET A 57 -11.839 10.331 -4.183 1.00 0.00 O ATOM 859 CB MET A 57 -8.442 10.020 -4.616 1.00 0.00 C ATOM 860 CG MET A 57 -8.181 10.958 -5.783 1.00 0.00 C ATOM 861 SD MET A 57 -9.584 11.071 -6.912 1.00 0.00 S ATOM 862 CE MET A 57 -10.379 12.561 -6.316 1.00 0.00 C ATOM 0 H MET A 57 -9.417 9.725 -1.712 1.00 0.00 H new ATOM 0 HA MET A 57 -9.727 11.583 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.512 9.863 -4.070 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.753 9.049 -5.002 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.947 11.951 -5.400 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.305 10.613 -6.332 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.886 13.059 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.107 12.302 -5.547 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.629 13.230 -5.895 1.00 0.00 H new ATOM 872 N PRO A 58 -10.787 8.422 -3.625 1.00 0.00 N ATOM 873 CA PRO A 58 -11.976 7.569 -3.793 1.00 0.00 C ATOM 874 C PRO A 58 -13.155 8.022 -2.938 1.00 0.00 C ATOM 875 O PRO A 58 -13.081 9.034 -2.242 1.00 0.00 O ATOM 876 CB PRO A 58 -11.494 6.182 -3.344 1.00 0.00 C ATOM 877 CG PRO A 58 -10.258 6.446 -2.560 1.00 0.00 C ATOM 878 CD PRO A 58 -9.617 7.630 -3.218 1.00 0.00 C ATOM 0 HA PRO A 58 -12.345 7.598 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.247 5.678 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.290 5.538 -4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.492 6.655 -1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.593 5.582 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.971 8.178 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.003 7.340 -4.071 1.00 0.00 H new ATOM 886 N GLY A 59 -14.244 7.257 -2.995 1.00 0.00 N ATOM 887 CA GLY A 59 -15.429 7.587 -2.222 1.00 0.00 C ATOM 888 C GLY A 59 -15.118 7.846 -0.762 1.00 0.00 C ATOM 889 O GLY A 59 -15.098 8.996 -0.320 1.00 0.00 O ATOM 0 H GLY A 59 -14.326 6.414 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.904 8.469 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.147 6.770 -2.298 1.00 0.00 H new ATOM 893 N MET A 60 -14.868 6.776 -0.012 1.00 0.00 N ATOM 894 CA MET A 60 -14.548 6.891 1.406 1.00 0.00 C ATOM 895 C MET A 60 -13.154 7.484 1.592 1.00 0.00 C ATOM 896 O MET A 60 -12.269 6.850 2.174 1.00 0.00 O ATOM 897 CB MET A 60 -14.636 5.517 2.081 1.00 0.00 C ATOM 898 CG MET A 60 -15.638 5.459 3.220 1.00 0.00 C ATOM 899 SD MET A 60 -16.030 3.769 3.706 1.00 0.00 S ATOM 900 CE MET A 60 -16.516 4.009 5.411 1.00 0.00 C ATOM 0 H MET A 60 -14.881 5.819 -0.364 1.00 0.00 H new ATOM 0 HA MET A 60 -15.272 7.558 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.906 4.771 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.651 5.245 2.461 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.239 5.998 4.079 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.553 5.970 2.921 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.788 3.049 5.850 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.685 4.441 5.969 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.371 4.684 5.454 1.00 0.00 H new ATOM 910 N ASP A 61 -12.966 8.701 1.080 1.00 0.00 N ATOM 911 CA ASP A 61 -11.685 9.392 1.169 1.00 0.00 C ATOM 912 C ASP A 61 -10.590 8.561 0.516 1.00 0.00 C ATOM 913 O ASP A 61 -10.121 8.873 -0.578 1.00 0.00 O ATOM 914 CB ASP A 61 -11.333 9.681 2.630 1.00 0.00 C ATOM 915 CG ASP A 61 -11.340 11.163 2.944 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.517 11.897 2.359 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.170 11.591 3.774 1.00 0.00 O ATOM 0 H ASP A 61 -13.692 9.229 0.596 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.766 10.341 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.044 9.171 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.348 9.270 2.852 1.00 0.00 H new ATOM 922 N GLY A 62 -10.199 7.498 1.197 1.00 0.00 N ATOM 923 CA GLY A 62 -9.173 6.615 0.689 1.00 0.00 C ATOM 924 C GLY A 62 -9.380 5.188 1.136 1.00 0.00 C ATOM 925 O GLY A 62 -9.097 4.245 0.395 1.00 0.00 O ATOM 0 H GLY A 62 -10.579 7.228 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.167 6.656 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.197 6.962 1.027 1.00 0.00 H new ATOM 929 N LEU A 63 -9.868 5.029 2.360 1.00 0.00 N ATOM 930 CA LEU A 63 -10.105 3.711 2.919 1.00 0.00 C ATOM 931 C LEU A 63 -11.012 2.887 2.012 1.00 0.00 C ATOM 932 O LEU A 63 -10.969 1.658 2.033 1.00 0.00 O ATOM 933 CB LEU A 63 -10.683 3.808 4.336 1.00 0.00 C ATOM 934 CG LEU A 63 -9.930 4.760 5.270 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.529 6.157 5.232 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.900 4.221 6.690 1.00 0.00 C ATOM 0 H LEU A 63 -10.107 5.801 2.983 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.145 3.199 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.721 4.132 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.688 2.813 4.781 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.902 4.828 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.973 6.810 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.472 6.550 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.572 6.114 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.359 4.917 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.920 4.106 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.399 3.253 6.701 1.00 0.00 H new ATOM 948 N ALA A 64 -11.816 3.567 1.195 1.00 0.00 N ATOM 949 CA ALA A 64 -12.704 2.876 0.266 1.00 0.00 C ATOM 950 C ALA A 64 -11.900 1.928 -0.616 1.00 0.00 C ATOM 951 O ALA A 64 -12.357 0.840 -0.967 1.00 0.00 O ATOM 952 CB ALA A 64 -13.466 3.881 -0.592 1.00 0.00 C ATOM 0 H ALA A 64 -11.870 4.585 1.158 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.427 2.296 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.123 3.348 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.061 4.530 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.758 4.484 -1.161 1.00 0.00 H new ATOM 958 N LEU A 65 -10.692 2.359 -0.961 1.00 0.00 N ATOM 959 CA LEU A 65 -9.790 1.573 -1.794 1.00 0.00 C ATOM 960 C LEU A 65 -9.494 0.223 -1.155 1.00 0.00 C ATOM 961 O LEU A 65 -9.448 -0.802 -1.835 1.00 0.00 O ATOM 962 CB LEU A 65 -8.487 2.340 -2.010 1.00 0.00 C ATOM 963 CG LEU A 65 -7.975 2.352 -3.446 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.561 0.955 -3.877 1.00 0.00 C ATOM 965 CD2 LEU A 65 -9.034 2.914 -4.380 1.00 0.00 C ATOM 0 H LEU A 65 -10.311 3.260 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.275 1.398 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.631 3.370 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.718 1.907 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.097 2.996 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.198 0.984 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.768 0.592 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.419 0.285 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.654 2.916 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.930 2.296 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.278 3.933 -4.082 1.00 0.00 H new ATOM 977 N LEU A 66 -9.304 0.231 0.160 1.00 0.00 N ATOM 978 CA LEU A 66 -9.023 -0.995 0.896 1.00 0.00 C ATOM 979 C LEU A 66 -10.156 -1.985 0.674 1.00 0.00 C ATOM 980 O LEU A 66 -9.930 -3.171 0.439 1.00 0.00 O ATOM 981 CB LEU A 66 -8.859 -0.703 2.391 1.00 0.00 C ATOM 982 CG LEU A 66 -7.584 0.056 2.773 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.344 -0.713 2.336 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.593 1.450 2.163 1.00 0.00 C ATOM 0 H LEU A 66 -9.339 1.072 0.737 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.089 -1.423 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.720 -0.127 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.876 -1.648 2.933 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.556 0.153 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.451 -0.155 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.331 -1.688 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.361 -0.847 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.681 1.976 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.647 1.372 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.458 2.002 2.530 1.00 0.00 H new ATOM 996 N LYS A 67 -11.382 -1.474 0.733 1.00 0.00 N ATOM 997 CA LYS A 67 -12.566 -2.296 0.517 1.00 0.00 C ATOM 998 C LYS A 67 -12.482 -3.013 -0.832 1.00 0.00 C ATOM 999 O LYS A 67 -12.765 -4.205 -0.929 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.832 -1.440 0.573 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.054 -2.195 1.079 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.171 -2.214 0.047 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.484 -2.689 0.651 1.00 0.00 C ATOM 1004 NZ LYS A 67 -18.251 -1.570 1.271 1.00 0.00 N ATOM 0 H LYS A 67 -11.581 -0.493 0.929 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.611 -3.042 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.652 -0.581 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.042 -1.051 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.772 -3.218 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.414 -1.730 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.301 -1.214 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.892 -2.868 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.090 -3.159 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.282 -3.451 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.138 -1.937 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.683 -1.137 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.467 -0.854 0.548 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.089 -2.280 -1.874 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.965 -2.861 -3.210 1.00 0.00 C ATOM 1020 C GLN A 68 -10.842 -3.896 -3.239 1.00 0.00 C ATOM 1021 O GLN A 68 -10.918 -4.893 -3.959 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.667 -1.783 -4.260 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.530 -0.535 -4.156 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.942 -0.750 -4.665 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.704 -1.577 -3.961 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -14.342 -0.177 -5.678 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.853 -1.289 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.917 -3.337 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.620 -1.492 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.797 -2.216 -5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.569 -0.212 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.064 0.271 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.720 0.451 -6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.295 -0.330 -6.008 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.795 -3.636 -2.461 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.637 -4.522 -2.396 1.00 0.00 C ATOM 1037 C ILE A 69 -9.024 -5.917 -1.919 1.00 0.00 C ATOM 1038 O ILE A 69 -8.578 -6.924 -2.470 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.546 -3.944 -1.463 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.885 -2.723 -2.109 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.500 -4.999 -1.119 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.166 -1.832 -1.120 1.00 0.00 C ATOM 0 H ILE A 69 -9.725 -2.813 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.239 -4.598 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.025 -3.633 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.175 -3.061 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.646 -2.139 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.747 -4.564 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.981 -5.837 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.024 -5.351 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.722 -0.988 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.876 -1.464 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.382 -2.401 -0.621 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.842 -5.961 -0.884 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.288 -7.221 -0.306 1.00 0.00 C ATOM 1056 C LYS A 70 -11.332 -7.904 -1.185 1.00 0.00 C ATOM 1057 O LYS A 70 -11.552 -9.110 -1.080 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.866 -6.977 1.090 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.137 -6.144 1.082 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.295 -6.866 1.755 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.633 -6.261 1.357 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.623 -7.302 0.965 1.00 0.00 N ATOM 0 H LYS A 70 -10.215 -5.132 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.424 -7.881 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.073 -7.937 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.116 -6.476 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.954 -5.198 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.407 -5.905 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.276 -7.921 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.178 -6.814 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.029 -5.679 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.486 -5.570 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.520 -6.846 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.257 -7.841 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.784 -7.947 1.765 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.984 -7.123 -2.036 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.018 -7.643 -2.914 1.00 0.00 C ATOM 1078 C GLN A 71 -12.424 -8.272 -4.172 1.00 0.00 C ATOM 1079 O GLN A 71 -12.956 -9.251 -4.696 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.007 -6.514 -3.253 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.710 -6.640 -4.602 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.482 -5.429 -5.488 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.395 -4.971 -6.176 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.260 -4.902 -5.475 1.00 0.00 N ATOM 0 H GLN A 71 -11.812 -6.122 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.555 -8.439 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.765 -6.471 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.471 -5.565 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.352 -7.534 -5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.780 -6.772 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.533 -5.314 -4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.050 -4.086 -6.050 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.336 -7.700 -4.661 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.693 -8.205 -5.872 1.00 0.00 C ATOM 1095 C ARG A 72 -9.473 -9.063 -5.561 1.00 0.00 C ATOM 1096 O ARG A 72 -9.230 -10.075 -6.219 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.296 -7.045 -6.789 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.413 -6.597 -7.719 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.225 -7.140 -9.127 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.345 -8.598 -9.176 1.00 0.00 N ATOM 1101 CZ ARG A 72 -10.309 -9.432 -9.250 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -9.067 -8.966 -9.267 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -10.517 -10.742 -9.303 1.00 0.00 N ATOM 0 H ARG A 72 -10.878 -6.890 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.420 -8.838 -6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.983 -6.199 -6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.434 -7.343 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.372 -6.933 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.446 -5.508 -7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.967 -6.693 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.245 -6.845 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.282 -9.001 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.899 -7.961 -9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.280 -9.613 -9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.469 -11.108 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.725 -11.382 -9.360 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.700 -8.645 -4.576 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.488 -9.367 -4.196 1.00 0.00 C ATOM 1119 C HIS A 73 -7.701 -10.204 -2.938 1.00 0.00 C ATOM 1120 O HIS A 73 -8.539 -9.876 -2.097 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.347 -8.374 -3.996 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.459 -7.192 -4.906 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.531 -5.872 -4.638 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -6.562 -7.310 -6.275 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -6.675 -5.218 -5.838 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -6.692 -6.111 -6.810 1.00 0.00 N flip ATOM 0 H HIS A 73 -8.885 -7.809 -4.021 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.232 -10.057 -5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.341 -8.034 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.396 -8.876 -4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.540 -8.239 -6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.760 -4.149 -5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.789 -5.909 -7.805 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.948 -11.312 -2.799 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.055 -12.210 -1.663 1.00 0.00 C ATOM 1137 C PRO A 74 -6.021 -11.927 -0.580 1.00 0.00 C ATOM 1138 O PRO A 74 -4.859 -12.316 -0.697 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.782 -13.562 -2.306 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.809 -13.272 -3.409 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.938 -11.800 -3.748 1.00 0.00 C ATOM 0 HA PRO A 74 -8.015 -12.123 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.365 -14.266 -1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.698 -14.008 -2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.792 -13.506 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.023 -13.888 -4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.989 -11.277 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.254 -11.653 -4.781 1.00 0.00 H new ATOM 1149 N MET A 75 -6.461 -11.274 0.481 1.00 0.00 N ATOM 1150 CA MET A 75 -5.594 -10.962 1.602 1.00 0.00 C ATOM 1151 C MET A 75 -4.372 -10.155 1.173 1.00 0.00 C ATOM 1152 O MET A 75 -3.308 -10.259 1.781 1.00 0.00 O ATOM 1153 CB MET A 75 -5.165 -12.262 2.268 1.00 0.00 C ATOM 1154 CG MET A 75 -6.219 -12.849 3.192 1.00 0.00 C ATOM 1155 SD MET A 75 -5.501 -13.796 4.550 1.00 0.00 S ATOM 1156 CE MET A 75 -4.522 -14.993 3.647 1.00 0.00 C ATOM 0 H MET A 75 -7.421 -10.948 0.589 1.00 0.00 H new ATOM 0 HA MET A 75 -6.149 -10.344 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.922 -12.993 1.497 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.253 -12.085 2.837 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.830 -12.043 3.599 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.884 -13.493 2.616 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.159 -15.758 4.333 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.136 -15.459 2.876 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.674 -14.492 3.181 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.528 -9.345 0.133 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.429 -8.521 -0.356 1.00 0.00 C ATOM 1168 C LEU A 76 -3.026 -7.486 0.695 1.00 0.00 C ATOM 1169 O LEU A 76 -3.785 -6.563 0.986 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.827 -7.816 -1.657 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.668 -7.288 -2.497 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.158 -5.997 -1.893 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.556 -8.320 -2.598 1.00 0.00 C ATOM 0 H LEU A 76 -5.400 -9.241 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.577 -9.171 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.406 -8.511 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.485 -6.982 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.022 -7.091 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.330 -5.618 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.961 -5.260 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.815 -6.182 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.742 -7.919 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.186 -8.555 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.942 -9.226 -3.065 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.824 -7.626 1.288 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.336 -6.698 2.316 1.00 0.00 C ATOM 1187 C PRO A 77 -1.278 -5.257 1.822 1.00 0.00 C ATOM 1188 O PRO A 77 -0.530 -4.932 0.899 1.00 0.00 O ATOM 1189 CB PRO A 77 0.070 -7.215 2.632 1.00 0.00 C ATOM 1190 CG PRO A 77 0.053 -8.643 2.210 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.852 -8.698 1.014 1.00 0.00 C ATOM 0 HA PRO A 77 -1.997 -6.672 3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.830 -6.651 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.298 -7.119 3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.055 -8.990 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.316 -9.284 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.307 -8.522 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.338 -9.669 0.919 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.079 -4.400 2.444 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.135 -2.992 2.077 1.00 0.00 C ATOM 1201 C VAL A 78 -1.671 -2.089 3.210 1.00 0.00 C ATOM 1202 O VAL A 78 -1.817 -2.408 4.394 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.554 -2.544 1.682 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.480 -1.374 0.714 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.355 -3.693 1.087 1.00 0.00 C ATOM 0 H VAL A 78 -2.702 -4.659 3.209 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.467 -2.897 1.221 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.073 -2.221 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.488 -1.064 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.961 -0.541 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.938 -1.677 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.352 -3.342 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.850 -4.065 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.438 -4.496 1.819 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.129 -0.947 2.826 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.655 0.045 3.770 1.00 0.00 C ATOM 1217 C ILE A 79 -1.020 1.438 3.279 1.00 0.00 C ATOM 1218 O ILE A 79 -0.609 1.851 2.196 1.00 0.00 O ATOM 1219 CB ILE A 79 0.864 -0.038 3.954 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.294 -1.480 4.222 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.307 0.877 5.082 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.193 -2.046 3.146 1.00 0.00 C ATOM 0 H ILE A 79 -1.006 -0.682 1.849 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.132 -0.154 4.730 1.00 0.00 H new ATOM 0 HB ILE A 79 1.346 0.293 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.812 -1.525 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.406 -2.106 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.388 0.809 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.032 1.905 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.819 0.575 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.461 -3.072 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.669 -2.032 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.098 -1.442 3.073 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.806 2.156 4.060 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.229 3.489 3.665 1.00 0.00 C ATOM 1236 C ILE A 80 -1.301 4.551 4.230 1.00 0.00 C ATOM 1237 O ILE A 80 -0.686 4.349 5.267 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.687 3.753 4.093 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.573 2.585 3.660 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.209 5.054 3.501 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.413 2.214 2.198 1.00 0.00 C ATOM 0 H ILE A 80 -2.162 1.844 4.963 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.178 3.545 2.578 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.713 3.845 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.341 1.716 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.616 2.840 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.239 5.212 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.591 5.884 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.171 5.000 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.071 1.378 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.674 3.069 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.379 1.927 2.006 1.00 0.00 H new ATOM 1253 N MET A 81 -1.179 5.661 3.511 1.00 0.00 N ATOM 1254 CA MET A 81 -0.285 6.747 3.916 1.00 0.00 C ATOM 1255 C MET A 81 -0.922 7.668 4.959 1.00 0.00 C ATOM 1256 O MET A 81 -0.217 8.272 5.761 1.00 0.00 O ATOM 1257 CB MET A 81 0.182 7.574 2.703 1.00 0.00 C ATOM 1258 CG MET A 81 -0.510 7.230 1.392 1.00 0.00 C ATOM 1259 SD MET A 81 -0.052 5.595 0.767 1.00 0.00 S ATOM 1260 CE MET A 81 1.277 6.001 -0.360 1.00 0.00 C ATOM 0 H MET A 81 -1.687 5.836 2.644 1.00 0.00 H new ATOM 0 HA MET A 81 0.582 6.272 4.374 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.020 8.630 2.917 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.256 7.435 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.590 7.270 1.535 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.259 7.983 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.009 5.193 -0.366 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.875 6.133 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.758 6.924 -0.037 1.00 0.00 H new ATOM 1270 N THR A 82 -2.246 7.776 4.951 1.00 0.00 N ATOM 1271 CA THR A 82 -2.947 8.633 5.909 1.00 0.00 C ATOM 1272 C THR A 82 -4.143 7.897 6.514 1.00 0.00 C ATOM 1273 O THR A 82 -4.655 6.948 5.926 1.00 0.00 O ATOM 1274 CB THR A 82 -3.403 9.929 5.224 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.337 10.511 4.498 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.922 10.979 6.182 1.00 0.00 C ATOM 0 H THR A 82 -2.856 7.285 4.297 1.00 0.00 H new ATOM 0 HA THR A 82 -2.260 8.888 6.716 1.00 0.00 H new ATOM 0 HB THR A 82 -4.221 9.627 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.163 9.982 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.224 11.864 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.780 10.583 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.136 11.247 6.888 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.586 8.332 7.691 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.725 7.699 8.349 1.00 0.00 C ATOM 1286 C ALA A 83 -6.514 8.706 9.185 1.00 0.00 C ATOM 1287 O ALA A 83 -6.620 8.572 10.404 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.264 6.531 9.211 1.00 0.00 C ATOM 0 H ALA A 83 -4.178 9.113 8.205 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.389 7.317 7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.127 6.072 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.763 5.793 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.572 6.891 9.972 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.069 9.716 8.519 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.850 10.744 9.204 1.00 0.00 C ATOM 1296 C HIS A 84 -9.339 10.376 9.270 1.00 0.00 C ATOM 1297 O HIS A 84 -9.766 9.682 10.193 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.659 12.125 8.546 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.528 12.107 7.049 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.913 11.193 6.126 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -6.950 13.139 6.339 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.566 11.685 4.892 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -6.987 12.861 5.049 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.993 9.845 7.510 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.476 10.801 10.226 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.506 12.757 8.813 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.768 12.590 8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.532 14.036 6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.739 11.191 3.947 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.629 13.454 4.300 1.00 0.00 H new ATOM 1312 N SER A 85 -10.129 10.849 8.305 1.00 0.00 N ATOM 1313 CA SER A 85 -11.565 10.574 8.283 1.00 0.00 C ATOM 1314 C SER A 85 -11.877 9.209 7.672 1.00 0.00 C ATOM 1315 O SER A 85 -11.063 8.636 6.947 1.00 0.00 O ATOM 1316 CB SER A 85 -12.299 11.664 7.502 1.00 0.00 C ATOM 1317 OG SER A 85 -13.561 11.946 8.079 1.00 0.00 O ATOM 0 H SER A 85 -9.799 11.424 7.530 1.00 0.00 H new ATOM 0 HA SER A 85 -11.909 10.565 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.694 12.571 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.432 11.347 6.468 1.00 0.00 H new ATOM 0 HG SER A 85 -14.008 12.648 7.561 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.073 8.702 7.971 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.523 7.410 7.457 1.00 0.00 C ATOM 1325 C ASP A 86 -12.630 6.270 7.942 1.00 0.00 C ATOM 1326 O ASP A 86 -12.668 5.173 7.387 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.552 7.432 5.926 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.531 8.451 5.376 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -14.840 9.425 6.093 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.989 8.275 4.226 1.00 0.00 O ATOM 0 H ASP A 86 -13.751 9.171 8.571 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.529 7.235 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.553 7.654 5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.819 6.442 5.557 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.825 6.534 8.971 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.912 5.532 9.525 1.00 0.00 C ATOM 1337 C LEU A 87 -11.601 4.187 9.756 1.00 0.00 C ATOM 1338 O LEU A 87 -10.947 3.147 9.809 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.305 6.037 10.836 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.775 6.049 10.879 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.280 6.615 12.202 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.225 4.648 10.657 1.00 0.00 C ATOM 0 H LEU A 87 -11.786 7.439 9.441 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.122 5.375 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.666 7.049 11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.671 5.414 11.652 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.414 6.692 10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.190 6.615 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.644 7.636 12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.651 6.000 13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.136 4.675 10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.596 3.984 11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.549 4.280 9.683 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.919 4.215 9.905 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.689 2.997 10.141 1.00 0.00 C ATOM 1356 C ASP A 88 -13.316 1.888 9.158 1.00 0.00 C ATOM 1357 O ASP A 88 -13.093 0.746 9.560 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.188 3.288 10.037 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.673 4.222 11.126 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.009 5.252 11.366 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.720 3.924 11.739 1.00 0.00 O ATOM 0 H ASP A 88 -13.479 5.067 9.867 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.449 2.653 11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.403 3.728 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.742 2.351 10.093 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.266 2.221 7.873 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.936 1.237 6.843 1.00 0.00 C ATOM 1368 C ALA A 89 -11.510 0.711 6.986 1.00 0.00 C ATOM 1369 O ALA A 89 -11.188 -0.359 6.472 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.148 1.821 5.455 1.00 0.00 C ATOM 0 H ALA A 89 -13.449 3.160 7.519 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.611 0.392 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.897 1.073 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.191 2.115 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.508 2.694 5.326 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.658 1.457 7.681 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.273 1.032 7.872 1.00 0.00 C ATOM 1378 C ALA A 90 -9.221 -0.318 8.567 1.00 0.00 C ATOM 1379 O ALA A 90 -8.333 -1.129 8.305 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.479 2.058 8.671 1.00 0.00 C ATOM 0 H ALA A 90 -10.896 2.348 8.117 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.818 0.944 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.454 1.709 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.477 3.010 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.937 2.190 9.651 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.180 -0.556 9.454 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.236 -1.814 10.178 1.00 0.00 C ATOM 1388 C VAL A 91 -10.560 -2.962 9.232 1.00 0.00 C ATOM 1389 O VAL A 91 -10.021 -4.061 9.368 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.260 -1.781 11.326 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -10.982 -2.916 12.300 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.220 -0.437 12.043 1.00 0.00 C ATOM 0 H VAL A 91 -10.923 0.103 9.686 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.250 -1.971 10.617 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.259 -1.912 10.909 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.711 -2.887 13.110 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.058 -3.870 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.978 -2.806 12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.951 -0.434 12.851 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.224 -0.274 12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.456 0.359 11.337 1.00 0.00 H new ATOM 1402 N SER A 92 -11.422 -2.695 8.254 1.00 0.00 N ATOM 1403 CA SER A 92 -11.784 -3.706 7.271 1.00 0.00 C ATOM 1404 C SER A 92 -10.551 -4.104 6.464 1.00 0.00 C ATOM 1405 O SER A 92 -10.509 -5.167 5.845 1.00 0.00 O ATOM 1406 CB SER A 92 -12.880 -3.188 6.338 1.00 0.00 C ATOM 1407 OG SER A 92 -13.982 -2.686 7.075 1.00 0.00 O ATOM 0 H SER A 92 -11.879 -1.792 8.123 1.00 0.00 H new ATOM 0 HA SER A 92 -12.169 -4.580 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.477 -2.402 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.213 -3.992 5.682 1.00 0.00 H new ATOM 0 HG SER A 92 -14.668 -2.359 6.456 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.547 -3.234 6.479 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.307 -3.474 5.767 1.00 0.00 C ATOM 1415 C ALA A 93 -7.430 -4.493 6.487 1.00 0.00 C ATOM 1416 O ALA A 93 -7.004 -5.483 5.906 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.563 -2.171 5.573 1.00 0.00 C ATOM 0 H ALA A 93 -9.574 -2.348 6.984 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.554 -3.893 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.633 -2.360 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.180 -1.482 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.339 -1.731 6.545 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.161 -4.238 7.756 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.324 -5.140 8.551 1.00 0.00 C ATOM 1425 C TYR A 94 -6.933 -6.530 8.603 1.00 0.00 C ATOM 1426 O TYR A 94 -6.223 -7.535 8.650 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.138 -4.632 9.983 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.061 -3.130 10.115 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.040 -2.409 9.512 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.012 -2.436 10.850 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.969 -1.035 9.638 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.949 -1.062 10.980 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.926 -0.366 10.373 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.862 1.003 10.503 1.00 0.00 O ATOM 0 H TYR A 94 -7.504 -3.421 8.261 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.350 -5.177 8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.965 -4.995 10.593 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.226 -5.066 10.392 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.290 -2.930 8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.814 -2.979 11.328 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.168 -0.487 9.163 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.697 -0.536 11.554 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.536 1.396 9.667 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.253 -6.573 8.608 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.969 -7.841 8.670 1.00 0.00 C ATOM 1446 C GLN A 95 -8.913 -8.567 7.332 1.00 0.00 C ATOM 1447 O GLN A 95 -8.784 -9.790 7.289 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.419 -7.619 9.103 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.245 -6.848 8.096 1.00 0.00 C ATOM 1450 CD GLN A 95 -11.770 -7.720 6.973 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -11.598 -8.938 6.984 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.419 -7.099 5.994 1.00 0.00 N ATOM 0 H GLN A 95 -8.853 -5.749 8.570 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.479 -8.469 9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.888 -8.587 9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.427 -7.083 10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.085 -6.377 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.639 -6.046 7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.539 -6.087 6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.797 -7.635 5.213 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.000 -7.817 6.237 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.946 -8.420 4.915 1.00 0.00 C ATOM 1463 C GLN A 96 -7.522 -8.844 4.568 1.00 0.00 C ATOM 1464 O GLN A 96 -7.320 -9.666 3.681 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.486 -7.464 3.846 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.641 -6.218 3.645 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.683 -6.335 2.474 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.833 -7.207 1.619 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.690 -5.450 2.433 1.00 0.00 N ATOM 0 H GLN A 96 -9.107 -6.803 6.241 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.580 -9.307 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.557 -7.998 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.497 -7.164 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.297 -5.362 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.073 -6.020 4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.605 -4.744 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.014 -5.477 1.670 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.539 -8.294 5.281 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.153 -8.654 5.026 1.00 0.00 C ATOM 1480 C GLY A 97 -4.202 -7.466 5.046 1.00 0.00 C ATOM 1481 O GLY A 97 -2.988 -7.640 4.960 1.00 0.00 O ATOM 0 H GLY A 97 -6.677 -7.610 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.831 -9.379 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.087 -9.146 4.056 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.746 -6.257 5.153 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.923 -5.053 5.176 1.00 0.00 C ATOM 1487 C ALA A 98 -2.929 -5.073 6.335 1.00 0.00 C ATOM 1488 O ALA A 98 -3.197 -5.654 7.385 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.798 -3.810 5.237 1.00 0.00 C ATOM 0 H ALA A 98 -5.749 -6.086 5.225 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.346 -5.028 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.167 -2.921 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.447 -3.778 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.408 -3.839 6.140 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.771 -4.443 6.130 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.731 -4.402 7.152 1.00 0.00 C ATOM 1497 C PHE A 99 -1.044 -3.376 8.234 1.00 0.00 C ATOM 1498 O PHE A 99 -1.031 -3.697 9.423 1.00 0.00 O ATOM 1499 CB PHE A 99 0.631 -4.082 6.527 1.00 0.00 C ATOM 1500 CG PHE A 99 1.778 -4.203 7.494 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.055 -5.412 8.109 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.579 -3.106 7.784 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.108 -5.530 8.995 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.634 -3.219 8.672 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.899 -4.433 9.277 1.00 0.00 C ATOM 0 H PHE A 99 -1.533 -3.956 5.266 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.697 -5.389 7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.803 -4.754 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.609 -3.069 6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.440 -6.273 7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.376 -2.156 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.313 -6.479 9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.250 -2.359 8.892 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.723 -4.524 9.969 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.311 -2.140 7.824 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.608 -1.077 8.783 1.00 0.00 C ATOM 1517 C ASP A 100 -1.882 0.250 8.075 1.00 0.00 C ATOM 1518 O ASP A 100 -2.092 0.283 6.863 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.443 -0.922 9.768 1.00 0.00 C ATOM 1520 CG ASP A 100 0.897 -0.838 9.066 1.00 0.00 C ATOM 1521 OD1 ASP A 100 0.920 -0.449 7.881 1.00 0.00 O ATOM 1522 OD2 ASP A 100 1.923 -1.162 9.700 1.00 0.00 O ATOM 0 H ASP A 100 -1.328 -1.850 6.846 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.508 -1.355 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.594 -0.024 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.438 -1.767 10.457 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.883 1.342 8.839 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.139 2.664 8.279 1.00 0.00 C ATOM 1529 C TYR A 101 -1.040 3.657 8.666 1.00 0.00 C ATOM 1530 O TYR A 101 -0.545 3.652 9.793 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.503 3.186 8.750 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.621 2.979 7.747 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.131 1.712 7.494 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.159 4.052 7.046 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.141 1.519 6.570 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.172 3.868 6.123 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.659 2.600 5.890 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.659 2.409 4.963 1.00 0.00 O ATOM 0 H TYR A 101 -1.710 1.335 9.844 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.144 2.569 7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.769 2.689 9.683 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.418 4.250 8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.732 0.863 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.779 5.047 7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.522 0.526 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.579 4.713 5.588 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.627 3.125 4.295 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.685 4.515 7.716 1.00 0.00 N ATOM 1549 CA LEU A 102 0.333 5.544 7.912 1.00 0.00 C ATOM 1550 C LEU A 102 -0.370 6.889 8.127 1.00 0.00 C ATOM 1551 O LEU A 102 -1.433 7.121 7.556 1.00 0.00 O ATOM 1552 CB LEU A 102 1.231 5.609 6.661 1.00 0.00 C ATOM 1553 CG LEU A 102 2.746 5.721 6.878 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.242 4.689 7.875 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.471 5.545 5.548 1.00 0.00 C ATOM 0 H LEU A 102 -1.097 4.517 6.783 1.00 0.00 H new ATOM 0 HA LEU A 102 0.950 5.312 8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.042 4.716 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.913 6.464 6.064 1.00 0.00 H new ATOM 0 HG LEU A 102 2.957 6.710 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.319 4.797 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.744 4.840 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.020 3.688 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.546 5.625 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.237 4.564 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.148 6.319 4.852 1.00 0.00 H new ATOM 1567 N PRO A 103 0.185 7.785 8.960 1.00 0.00 N ATOM 1568 CA PRO A 103 -0.435 9.090 9.226 1.00 0.00 C ATOM 1569 C PRO A 103 -0.394 10.013 8.007 1.00 0.00 C ATOM 1570 O PRO A 103 -1.359 10.719 7.710 1.00 0.00 O ATOM 1571 CB PRO A 103 0.401 9.669 10.371 1.00 0.00 C ATOM 1572 CG PRO A 103 1.704 8.939 10.330 1.00 0.00 C ATOM 1573 CD PRO A 103 1.437 7.593 9.710 1.00 0.00 C ATOM 0 HA PRO A 103 -1.493 8.991 9.471 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.549 10.741 10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.097 9.527 11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.438 9.494 9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.114 8.826 11.333 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.252 7.288 9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.332 6.818 10.469 1.00 0.00 H new ATOM 1581 N LYS A 104 0.730 9.975 7.303 1.00 0.00 N ATOM 1582 CA LYS A 104 0.946 10.773 6.097 1.00 0.00 C ATOM 1583 C LYS A 104 2.383 10.611 5.623 1.00 0.00 C ATOM 1584 O LYS A 104 2.619 10.330 4.448 1.00 0.00 O ATOM 1585 CB LYS A 104 0.623 12.255 6.303 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.013 12.910 5.078 1.00 0.00 C ATOM 1587 CD LYS A 104 0.772 12.624 3.797 1.00 0.00 C ATOM 1588 CE LYS A 104 0.192 11.440 3.030 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.532 11.479 1.573 1.00 0.00 N ATOM 0 H LYS A 104 1.525 9.386 7.552 1.00 0.00 H new ATOM 0 HA LYS A 104 0.259 10.402 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.051 12.358 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.539 12.788 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.035 12.548 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.072 13.987 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.764 13.509 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.813 12.421 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.567 10.512 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.892 11.431 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.589 10.508 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.205 12.002 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.448 11.954 1.443 1.00 0.00 H new ATOM 1603 N PRO A 105 3.378 10.755 6.529 1.00 0.00 N ATOM 1604 CA PRO A 105 4.782 10.586 6.166 1.00 0.00 C ATOM 1605 C PRO A 105 4.955 9.309 5.363 1.00 0.00 C ATOM 1606 O PRO A 105 4.052 8.476 5.332 1.00 0.00 O ATOM 1607 CB PRO A 105 5.513 10.491 7.516 1.00 0.00 C ATOM 1608 CG PRO A 105 4.439 10.416 8.555 1.00 0.00 C ATOM 1609 CD PRO A 105 3.231 11.074 7.956 1.00 0.00 C ATOM 0 HA PRO A 105 5.166 11.398 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.155 9.611 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.153 11.359 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.227 9.381 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.746 10.924 9.469 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.304 10.676 8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.223 12.149 8.134 1.00 0.00 H new ATOM 1617 N PHE A 106 6.077 9.160 4.683 1.00 0.00 N ATOM 1618 CA PHE A 106 6.280 7.982 3.862 1.00 0.00 C ATOM 1619 C PHE A 106 7.747 7.848 3.450 1.00 0.00 C ATOM 1620 O PHE A 106 8.536 7.247 4.175 1.00 0.00 O ATOM 1621 CB PHE A 106 5.356 8.075 2.639 1.00 0.00 C ATOM 1622 CG PHE A 106 4.834 6.760 2.148 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.566 6.006 1.251 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.602 6.289 2.567 1.00 0.00 C ATOM 1625 CE1 PHE A 106 5.081 4.804 0.779 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.114 5.087 2.101 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.856 4.345 1.204 1.00 0.00 C ATOM 0 H PHE A 106 6.849 9.827 4.682 1.00 0.00 H new ATOM 0 HA PHE A 106 6.032 7.086 4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.510 8.716 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.897 8.561 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.529 6.362 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.017 6.869 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.662 4.224 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.153 4.726 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.475 3.404 0.836 1.00 0.00 H new ATOM 1637 N ASP A 107 8.117 8.404 2.294 1.00 0.00 N ATOM 1638 CA ASP A 107 9.494 8.328 1.810 1.00 0.00 C ATOM 1639 C ASP A 107 10.079 6.934 2.040 1.00 0.00 C ATOM 1640 O ASP A 107 9.385 6.022 2.476 1.00 0.00 O ATOM 1641 CB ASP A 107 10.363 9.383 2.499 1.00 0.00 C ATOM 1642 CG ASP A 107 10.488 9.152 3.992 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.624 9.647 4.745 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.452 8.476 4.409 1.00 0.00 O ATOM 0 H ASP A 107 7.482 8.911 1.678 1.00 0.00 H new ATOM 0 HA ASP A 107 9.485 8.524 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.356 9.379 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.937 10.371 2.322 1.00 0.00 H new ATOM 1649 N ILE A 108 11.354 6.769 1.738 1.00 0.00 N ATOM 1650 CA ILE A 108 12.005 5.483 1.921 1.00 0.00 C ATOM 1651 C ILE A 108 12.132 5.131 3.392 1.00 0.00 C ATOM 1652 O ILE A 108 11.786 4.030 3.820 1.00 0.00 O ATOM 1653 CB ILE A 108 13.377 5.457 1.207 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.177 5.156 -0.278 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.344 4.446 1.817 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.933 5.789 -0.857 1.00 0.00 C ATOM 0 H ILE A 108 11.957 7.504 1.367 1.00 0.00 H new ATOM 0 HA ILE A 108 11.377 4.719 1.463 1.00 0.00 H new ATOM 0 HB ILE A 108 13.826 6.442 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.047 5.508 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.125 4.076 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.289 4.473 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.519 4.696 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.916 3.446 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.853 5.534 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.056 5.418 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.991 6.872 -0.748 1.00 0.00 H new ATOM 1668 N ASP A 109 12.638 6.073 4.158 1.00 0.00 N ATOM 1669 CA ASP A 109 12.829 5.877 5.584 1.00 0.00 C ATOM 1670 C ASP A 109 11.571 5.334 6.260 1.00 0.00 C ATOM 1671 O ASP A 109 11.618 4.294 6.906 1.00 0.00 O ATOM 1672 CB ASP A 109 13.248 7.189 6.247 1.00 0.00 C ATOM 1673 CG ASP A 109 14.278 6.982 7.341 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.397 6.524 7.025 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.965 7.277 8.513 1.00 0.00 O ATOM 0 H ASP A 109 12.927 6.990 3.817 1.00 0.00 H new ATOM 0 HA ASP A 109 13.619 5.136 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.655 7.861 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.369 7.677 6.667 1.00 0.00 H new ATOM 1680 N GLU A 110 10.463 6.061 6.139 1.00 0.00 N ATOM 1681 CA GLU A 110 9.211 5.669 6.772 1.00 0.00 C ATOM 1682 C GLU A 110 8.500 4.532 6.040 1.00 0.00 C ATOM 1683 O GLU A 110 7.798 3.735 6.667 1.00 0.00 O ATOM 1684 CB GLU A 110 8.285 6.884 6.901 1.00 0.00 C ATOM 1685 CG GLU A 110 8.965 8.102 7.504 1.00 0.00 C ATOM 1686 CD GLU A 110 8.861 8.141 9.016 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.928 7.063 9.645 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.713 9.249 9.571 1.00 0.00 O ATOM 0 H GLU A 110 10.409 6.929 5.605 1.00 0.00 H new ATOM 0 HA GLU A 110 9.462 5.290 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.900 7.144 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.428 6.614 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.016 8.106 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.517 9.005 7.090 1.00 0.00 H new ATOM 1695 N ALA A 111 8.673 4.439 4.728 1.00 0.00 N ATOM 1696 CA ALA A 111 8.020 3.380 3.973 1.00 0.00 C ATOM 1697 C ALA A 111 8.826 2.093 4.042 1.00 0.00 C ATOM 1698 O ALA A 111 8.342 1.075 4.536 1.00 0.00 O ATOM 1699 CB ALA A 111 7.787 3.801 2.534 1.00 0.00 C ATOM 0 H ALA A 111 9.249 5.072 4.173 1.00 0.00 H new ATOM 0 HA ALA A 111 7.046 3.193 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.298 2.991 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.153 4.687 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.743 4.028 2.062 1.00 0.00 H new ATOM 1705 N VAL A 112 10.065 2.140 3.558 1.00 0.00 N ATOM 1706 CA VAL A 112 10.923 0.964 3.590 1.00 0.00 C ATOM 1707 C VAL A 112 10.955 0.369 4.988 1.00 0.00 C ATOM 1708 O VAL A 112 11.029 -0.846 5.167 1.00 0.00 O ATOM 1709 CB VAL A 112 12.356 1.281 3.146 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.174 0.003 3.054 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.340 2.013 1.817 1.00 0.00 C ATOM 0 H VAL A 112 10.491 2.970 3.145 1.00 0.00 H new ATOM 0 HA VAL A 112 10.500 0.245 2.888 1.00 0.00 H new ATOM 0 HB VAL A 112 12.823 1.929 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.189 0.243 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.203 -0.482 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.717 -0.670 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.363 2.233 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.862 1.388 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.784 2.945 1.921 1.00 0.00 H new ATOM 1721 N ALA A 113 10.870 1.242 5.976 1.00 0.00 N ATOM 1722 CA ALA A 113 10.854 0.820 7.365 1.00 0.00 C ATOM 1723 C ALA A 113 9.666 -0.092 7.600 1.00 0.00 C ATOM 1724 O ALA A 113 9.785 -1.183 8.159 1.00 0.00 O ATOM 1725 CB ALA A 113 10.747 2.035 8.268 1.00 0.00 C ATOM 0 H ALA A 113 10.811 2.251 5.841 1.00 0.00 H new ATOM 0 HA ALA A 113 11.776 0.284 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.735 1.714 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.602 2.690 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.827 2.575 8.044 1.00 0.00 H new ATOM 1731 N LEU A 114 8.512 0.401 7.175 1.00 0.00 N ATOM 1732 CA LEU A 114 7.253 -0.303 7.325 1.00 0.00 C ATOM 1733 C LEU A 114 7.083 -1.435 6.313 1.00 0.00 C ATOM 1734 O LEU A 114 6.271 -2.334 6.525 1.00 0.00 O ATOM 1735 CB LEU A 114 6.105 0.694 7.199 1.00 0.00 C ATOM 1736 CG LEU A 114 4.738 0.178 7.639 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.566 0.319 9.143 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.645 0.928 6.904 1.00 0.00 C ATOM 0 H LEU A 114 8.425 1.307 6.714 1.00 0.00 H new ATOM 0 HA LEU A 114 7.248 -0.766 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.348 1.578 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.036 1.014 6.159 1.00 0.00 H new ATOM 0 HG LEU A 114 4.668 -0.881 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.584 -0.055 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.339 -0.256 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.651 1.369 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.671 0.556 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.718 1.992 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.759 0.777 5.831 1.00 0.00 H new ATOM 1750 N VAL A 115 7.827 -1.394 5.211 1.00 0.00 N ATOM 1751 CA VAL A 115 7.702 -2.436 4.194 1.00 0.00 C ATOM 1752 C VAL A 115 8.456 -3.706 4.576 1.00 0.00 C ATOM 1753 O VAL A 115 7.913 -4.807 4.493 1.00 0.00 O ATOM 1754 CB VAL A 115 8.166 -1.965 2.795 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.683 -1.979 2.668 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.545 -2.839 1.716 1.00 0.00 C ATOM 0 H VAL A 115 8.510 -0.666 5.001 1.00 0.00 H new ATOM 0 HA VAL A 115 6.636 -2.660 4.143 1.00 0.00 H new ATOM 0 HB VAL A 115 7.832 -0.936 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.968 -1.642 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.117 -1.313 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.052 -2.992 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.878 -2.499 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.852 -3.874 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.459 -2.771 1.774 1.00 0.00 H new ATOM 1766 N GLU A 116 9.710 -3.552 4.984 1.00 0.00 N ATOM 1767 CA GLU A 116 10.529 -4.694 5.364 1.00 0.00 C ATOM 1768 C GLU A 116 9.924 -5.422 6.558 1.00 0.00 C ATOM 1769 O GLU A 116 9.808 -6.647 6.553 1.00 0.00 O ATOM 1770 CB GLU A 116 11.953 -4.244 5.680 1.00 0.00 C ATOM 1771 CG GLU A 116 12.708 -3.732 4.462 1.00 0.00 C ATOM 1772 CD GLU A 116 14.212 -3.803 4.636 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.723 -4.900 4.945 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.878 -2.761 4.463 1.00 0.00 O ATOM 0 H GLU A 116 10.180 -2.650 5.060 1.00 0.00 H new ATOM 0 HA GLU A 116 10.560 -5.387 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.919 -3.458 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.502 -5.079 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.419 -4.316 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.417 -2.700 4.266 1.00 0.00 H new ATOM 1781 N ARG A 117 9.528 -4.665 7.578 1.00 0.00 N ATOM 1782 CA ARG A 117 8.926 -5.256 8.764 1.00 0.00 C ATOM 1783 C ARG A 117 7.602 -5.933 8.417 1.00 0.00 C ATOM 1784 O ARG A 117 7.154 -6.838 9.119 1.00 0.00 O ATOM 1785 CB ARG A 117 8.726 -4.203 9.859 1.00 0.00 C ATOM 1786 CG ARG A 117 7.754 -3.091 9.493 1.00 0.00 C ATOM 1787 CD ARG A 117 7.826 -1.950 10.497 1.00 0.00 C ATOM 1788 NE ARG A 117 6.748 -2.009 11.481 1.00 0.00 N ATOM 1789 CZ ARG A 117 6.782 -1.378 12.653 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.832 -0.638 12.986 1.00 0.00 N ATOM 1791 NH2 ARG A 117 5.763 -1.485 13.493 1.00 0.00 N ATOM 0 H ARG A 117 9.613 -3.649 7.605 1.00 0.00 H new ATOM 0 HA ARG A 117 9.608 -6.015 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.369 -4.699 10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.692 -3.760 10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.983 -2.717 8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.739 -3.487 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.787 -1.982 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.779 -0.999 9.967 1.00 0.00 H new ATOM 0 HE ARG A 117 5.923 -2.565 11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.619 -0.550 12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.852 -0.157 13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.952 -2.051 13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.789 -1.002 14.391 1.00 0.00 H new ATOM 1805 N ALA A 118 6.989 -5.495 7.322 1.00 0.00 N ATOM 1806 CA ALA A 118 5.728 -6.062 6.872 1.00 0.00 C ATOM 1807 C ALA A 118 5.933 -7.455 6.289 1.00 0.00 C ATOM 1808 O ALA A 118 5.253 -8.407 6.671 1.00 0.00 O ATOM 1809 CB ALA A 118 5.070 -5.150 5.845 1.00 0.00 C ATOM 0 H ALA A 118 7.349 -4.746 6.730 1.00 0.00 H new ATOM 0 HA ALA A 118 5.069 -6.148 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.127 -5.590 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.880 -4.175 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.731 -5.032 4.987 1.00 0.00 H new ATOM 1815 N ILE A 119 6.881 -7.568 5.365 1.00 0.00 N ATOM 1816 CA ILE A 119 7.183 -8.843 4.730 1.00 0.00 C ATOM 1817 C ILE A 119 7.791 -9.814 5.731 1.00 0.00 C ATOM 1818 O ILE A 119 7.615 -11.028 5.631 1.00 0.00 O ATOM 1819 CB ILE A 119 8.158 -8.661 3.552 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.663 -7.559 2.616 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.335 -9.964 2.790 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.778 -6.712 2.050 1.00 0.00 C ATOM 0 H ILE A 119 7.454 -6.789 5.039 1.00 0.00 H new ATOM 0 HA ILE A 119 6.243 -9.248 4.355 1.00 0.00 H new ATOM 0 HB ILE A 119 9.128 -8.368 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.107 -8.012 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.967 -6.918 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.028 -9.810 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.733 -10.726 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.371 -10.291 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.358 -5.949 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.320 -6.232 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.462 -7.343 1.482 1.00 0.00 H new ATOM 1834 N SER A 120 8.508 -9.262 6.697 1.00 0.00 N ATOM 1835 CA SER A 120 9.150 -10.059 7.732 1.00 0.00 C ATOM 1836 C SER A 120 8.114 -10.659 8.675 1.00 0.00 C ATOM 1837 O SER A 120 8.223 -11.817 9.078 1.00 0.00 O ATOM 1838 CB SER A 120 10.140 -9.201 8.521 1.00 0.00 C ATOM 1839 OG SER A 120 11.432 -9.247 7.942 1.00 0.00 O ATOM 0 H SER A 120 8.661 -8.258 6.786 1.00 0.00 H new ATOM 0 HA SER A 120 9.690 -10.874 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.788 -8.170 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.188 -9.551 9.552 1.00 0.00 H new ATOM 0 HG SER A 120 12.045 -8.689 8.465 1.00 0.00 H new ATOM 1845 N HIS A 121 7.106 -9.865 9.019 1.00 0.00 N ATOM 1846 CA HIS A 121 6.046 -10.319 9.913 1.00 0.00 C ATOM 1847 C HIS A 121 5.069 -11.230 9.177 1.00 0.00 C ATOM 1848 O HIS A 121 4.404 -12.066 9.786 1.00 0.00 O ATOM 1849 CB HIS A 121 5.301 -9.121 10.505 1.00 0.00 C ATOM 1850 CG HIS A 121 6.022 -8.474 11.646 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.036 -7.112 11.852 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.758 -9.012 12.648 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.750 -6.837 12.930 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.198 -7.974 13.431 1.00 0.00 N ATOM 0 H HIS A 121 7.000 -8.904 8.693 1.00 0.00 H new ATOM 0 HA HIS A 121 6.504 -10.887 10.723 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.139 -8.381 9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.318 -9.446 10.845 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.961 -10.062 12.802 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.935 -5.852 13.332 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.778 -8.066 14.265 1.00 0.00 H new