USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= 0.0209 K(o=1.5,f=-0.099) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -116:sc= 1.48 (180deg=-1.11) USER MOD Set 2.1: A 58 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.241 K(o=-0.24,f=-1.7) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.596 K(o=-2.4,f=-3.3) USER MOD Set 3.2: A 42 MET CE :methyl -140:sc= -1.8 (180deg=-3!) USER MOD Set 4.1: A 22 TYR OH : rot 57:sc= 1.35 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -9:sc= 1.43 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -36:sc= 0.706 USER MOD Single : A 23 MET CE :methyl 166:sc= 0 (180deg=-0.339) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.012) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 72:sc= 1.12 USER MOD Single : A 62 ASN : amide:sc= 0.424 K(o=0.42,f=-0.39) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -170:sc=-0.00576 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 87 HIS : no HD1:sc= -9.86! C(o=-9.9!,f=-12!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.271) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.747 F(o=-3.7!,f=-0.75) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -37:sc= 0.357 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.308 12.771 -4.269 1.00 0.00 N ATOM 106 CA ALA A 11 -4.115 11.337 -4.446 1.00 0.00 C ATOM 107 C ALA A 11 -4.749 10.855 -5.747 1.00 0.00 C ATOM 108 O ALA A 11 -5.964 10.671 -5.825 1.00 0.00 O ATOM 109 CB ALA A 11 -4.692 10.577 -3.262 1.00 0.00 C ATOM 0 HA ALA A 11 -3.044 11.143 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.541 9.507 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.190 10.893 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.759 10.785 -3.181 1.00 0.00 H new ATOM 115 N ARG A 12 -3.920 10.653 -6.765 1.00 0.00 N ATOM 116 CA ARG A 12 -4.400 10.194 -8.063 1.00 0.00 C ATOM 117 C ARG A 12 -3.609 8.979 -8.537 1.00 0.00 C ATOM 118 O ARG A 12 -2.443 9.093 -8.917 1.00 0.00 O ATOM 119 CB ARG A 12 -4.297 11.318 -9.095 1.00 0.00 C ATOM 120 CG ARG A 12 -5.253 11.160 -10.266 1.00 0.00 C ATOM 121 CD ARG A 12 -4.719 10.171 -11.291 1.00 0.00 C ATOM 122 NE ARG A 12 -5.340 10.352 -12.601 1.00 0.00 N ATOM 123 CZ ARG A 12 -5.253 9.464 -13.585 1.00 0.00 C ATOM 124 NH1 ARG A 12 -4.575 8.338 -13.408 1.00 0.00 N ATOM 125 NH2 ARG A 12 -5.845 9.701 -14.748 1.00 0.00 N ATOM 0 H ARG A 12 -2.912 10.800 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.445 9.905 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.493 12.271 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.276 11.359 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.223 10.821 -9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.412 12.128 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.639 10.290 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.899 9.154 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.870 11.207 -12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.119 8.152 -12.515 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.510 7.658 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.368 10.566 -14.887 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.778 9.018 -15.503 1.00 0.00 H new ATOM 139 N PHE A 13 -4.250 7.815 -8.511 1.00 0.00 N ATOM 140 CA PHE A 13 -3.606 6.578 -8.936 1.00 0.00 C ATOM 141 C PHE A 13 -4.614 5.433 -8.997 1.00 0.00 C ATOM 142 O PHE A 13 -5.765 5.583 -8.588 1.00 0.00 O ATOM 143 CB PHE A 13 -2.465 6.218 -7.983 1.00 0.00 C ATOM 144 CG PHE A 13 -2.924 5.927 -6.582 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.278 6.957 -5.727 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.001 4.622 -6.122 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.700 6.692 -4.438 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.422 4.351 -4.833 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.773 5.387 -3.991 1.00 0.00 C ATOM 0 H PHE A 13 -5.215 7.703 -8.200 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.199 6.734 -9.935 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.938 5.347 -8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.749 7.040 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.224 7.979 -6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.729 3.808 -6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.972 7.504 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.476 3.330 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.104 5.178 -2.985 1.00 0.00 H new ATOM 159 N ASP A 14 -4.171 4.291 -9.511 1.00 0.00 N ATOM 160 CA ASP A 14 -5.033 3.120 -9.626 1.00 0.00 C ATOM 161 C ASP A 14 -4.681 2.080 -8.567 1.00 0.00 C ATOM 162 O ASP A 14 -3.881 1.177 -8.811 1.00 0.00 O ATOM 163 CB ASP A 14 -4.912 2.506 -11.022 1.00 0.00 C ATOM 164 CG ASP A 14 -5.647 3.311 -12.075 1.00 0.00 C ATOM 165 OD1 ASP A 14 -5.598 4.558 -12.011 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.272 2.695 -12.963 1.00 0.00 O ATOM 0 H ASP A 14 -3.221 4.151 -9.854 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.063 3.440 -9.467 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.859 2.434 -11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.307 1.490 -11.004 1.00 0.00 H new ATOM 171 N SER A 15 -5.282 2.216 -7.389 1.00 0.00 N ATOM 172 CA SER A 15 -5.029 1.291 -6.291 1.00 0.00 C ATOM 173 C SER A 15 -5.118 -0.156 -6.767 1.00 0.00 C ATOM 174 O SER A 15 -4.527 -1.055 -6.170 1.00 0.00 O ATOM 175 CB SER A 15 -6.026 1.529 -5.155 1.00 0.00 C ATOM 176 OG SER A 15 -5.978 2.873 -4.708 1.00 0.00 O ATOM 0 H SER A 15 -5.947 2.958 -7.171 1.00 0.00 H new ATOM 0 HA SER A 15 -4.019 1.472 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.034 1.291 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.804 0.858 -4.325 1.00 0.00 H new ATOM 0 HG SER A 15 -5.218 3.330 -5.125 1.00 0.00 H new ATOM 182 N SER A 16 -5.863 -0.372 -7.846 1.00 0.00 N ATOM 183 CA SER A 16 -6.035 -1.709 -8.401 1.00 0.00 C ATOM 184 C SER A 16 -4.833 -2.101 -9.256 1.00 0.00 C ATOM 185 O SER A 16 -4.388 -3.249 -9.232 1.00 0.00 O ATOM 186 CB SER A 16 -7.314 -1.777 -9.238 1.00 0.00 C ATOM 187 OG SER A 16 -7.319 -0.778 -10.243 1.00 0.00 O ATOM 0 H SER A 16 -6.357 0.362 -8.353 1.00 0.00 H new ATOM 0 HA SER A 16 -6.114 -2.412 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.399 -2.761 -9.699 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.183 -1.651 -8.592 1.00 0.00 H new ATOM 0 HG SER A 16 -8.146 -0.843 -10.765 1.00 0.00 H new ATOM 193 N ASP A 17 -4.312 -1.139 -10.009 1.00 0.00 N ATOM 194 CA ASP A 17 -3.161 -1.381 -10.871 1.00 0.00 C ATOM 195 C ASP A 17 -1.930 -1.741 -10.045 1.00 0.00 C ATOM 196 O ASP A 17 -1.212 -0.862 -9.568 1.00 0.00 O ATOM 197 CB ASP A 17 -2.872 -0.149 -11.730 1.00 0.00 C ATOM 198 CG ASP A 17 -2.032 -0.478 -12.949 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.801 -0.628 -12.798 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.604 -0.584 -14.053 1.00 0.00 O ATOM 0 H ASP A 17 -4.668 -0.184 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.397 -2.222 -11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.814 0.296 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.356 0.598 -11.127 1.00 0.00 H new ATOM 205 N ARG A 18 -1.693 -3.038 -9.880 1.00 0.00 N ATOM 206 CA ARG A 18 -0.550 -3.514 -9.110 1.00 0.00 C ATOM 207 C ARG A 18 0.761 -3.079 -9.757 1.00 0.00 C ATOM 208 O ARG A 18 1.753 -2.834 -9.071 1.00 0.00 O ATOM 209 CB ARG A 18 -0.590 -5.038 -8.988 1.00 0.00 C ATOM 210 CG ARG A 18 -1.316 -5.531 -7.747 1.00 0.00 C ATOM 211 CD ARG A 18 -1.895 -6.922 -7.955 1.00 0.00 C ATOM 212 NE ARG A 18 -3.169 -6.882 -8.668 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.280 -7.033 -9.984 1.00 0.00 C ATOM 214 NH1 ARG A 18 -2.199 -7.232 -10.725 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.474 -6.985 -10.560 1.00 0.00 N ATOM 0 H ARG A 18 -2.277 -3.778 -10.269 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.606 -3.075 -8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.076 -5.452 -9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.431 -5.420 -8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.627 -5.545 -6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.117 -4.837 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.185 -7.531 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.035 -7.405 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.020 -6.730 -8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.279 -7.270 -10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.287 -7.348 -11.735 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.308 -6.832 -9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.558 -7.101 -11.570 1.00 0.00 H new ATOM 229 N SER A 19 0.758 -2.985 -11.083 1.00 0.00 N ATOM 230 CA SER A 19 1.948 -2.584 -11.824 1.00 0.00 C ATOM 231 C SER A 19 2.211 -1.089 -11.662 1.00 0.00 C ATOM 232 O SER A 19 3.098 -0.530 -12.306 1.00 0.00 O ATOM 233 CB SER A 19 1.792 -2.927 -13.307 1.00 0.00 C ATOM 234 OG SER A 19 2.973 -2.624 -14.028 1.00 0.00 O ATOM 0 H SER A 19 -0.056 -3.181 -11.666 1.00 0.00 H new ATOM 0 HA SER A 19 2.799 -3.132 -11.419 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.558 -3.986 -13.416 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.954 -2.370 -13.726 1.00 0.00 H new ATOM 0 HG SER A 19 3.381 -1.812 -13.662 1.00 0.00 H new ATOM 240 N ALA A 20 1.432 -0.449 -10.796 1.00 0.00 N ATOM 241 CA ALA A 20 1.581 0.979 -10.546 1.00 0.00 C ATOM 242 C ALA A 20 1.986 1.245 -9.100 1.00 0.00 C ATOM 243 O ALA A 20 2.600 2.267 -8.795 1.00 0.00 O ATOM 244 CB ALA A 20 0.289 1.710 -10.877 1.00 0.00 C ATOM 0 H ALA A 20 0.692 -0.897 -10.256 1.00 0.00 H new ATOM 0 HA ALA A 20 2.374 1.355 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.415 2.776 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.043 1.557 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.518 1.322 -10.255 1.00 0.00 H new ATOM 250 N TRP A 21 1.637 0.319 -8.214 1.00 0.00 N ATOM 251 CA TRP A 21 1.964 0.455 -6.799 1.00 0.00 C ATOM 252 C TRP A 21 2.614 -0.817 -6.266 1.00 0.00 C ATOM 253 O TRP A 21 3.576 -0.760 -5.499 1.00 0.00 O ATOM 254 CB TRP A 21 0.704 0.774 -5.992 1.00 0.00 C ATOM 255 CG TRP A 21 -0.451 -0.124 -6.313 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.442 0.108 -7.224 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.736 -1.398 -5.724 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.326 -0.944 -7.236 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.915 -1.881 -6.325 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.110 -2.177 -4.748 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.477 -3.107 -5.981 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.670 -3.394 -4.407 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.843 -3.850 -5.022 1.00 0.00 C ATOM 0 H TRP A 21 1.128 -0.533 -8.450 1.00 0.00 H new ATOM 0 HA TRP A 21 2.673 1.276 -6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.932 0.694 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.414 1.808 -6.179 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.519 0.989 -7.844 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.154 -1.016 -7.827 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.795 -1.835 -4.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.382 -3.460 -6.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.195 -4.004 -3.653 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.255 -4.806 -4.734 1.00 0.00 H new ATOM 274 N TYR A 22 2.085 -1.964 -6.678 1.00 0.00 N ATOM 275 CA TYR A 22 2.613 -3.251 -6.239 1.00 0.00 C ATOM 276 C TYR A 22 3.986 -3.512 -6.851 1.00 0.00 C ATOM 277 O TYR A 22 4.096 -3.910 -8.011 1.00 0.00 O ATOM 278 CB TYR A 22 1.650 -4.377 -6.619 1.00 0.00 C ATOM 279 CG TYR A 22 1.989 -5.704 -5.978 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.384 -5.775 -4.648 1.00 0.00 C ATOM 281 CD2 TYR A 22 1.912 -6.887 -6.703 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.695 -6.986 -4.059 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.220 -8.102 -6.122 1.00 0.00 C ATOM 284 CZ TYR A 22 2.611 -8.146 -4.800 1.00 0.00 C ATOM 285 OH TYR A 22 2.919 -9.354 -4.217 1.00 0.00 O ATOM 0 H TYR A 22 1.291 -2.029 -7.315 1.00 0.00 H new ATOM 0 HA TYR A 22 2.718 -3.223 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.638 -4.092 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.652 -4.495 -7.703 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.449 -4.869 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.606 -6.856 -7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.002 -7.024 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.155 -9.012 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 22 2.349 -9.493 -3.432 1.00 0.00 H new ATOM 295 N MET A 23 5.031 -3.286 -6.062 1.00 0.00 N ATOM 296 CA MET A 23 6.398 -3.499 -6.524 1.00 0.00 C ATOM 297 C MET A 23 6.843 -4.934 -6.261 1.00 0.00 C ATOM 298 O MET A 23 8.014 -5.272 -6.432 1.00 0.00 O ATOM 299 CB MET A 23 7.351 -2.522 -5.833 1.00 0.00 C ATOM 300 CG MET A 23 6.848 -1.088 -5.822 1.00 0.00 C ATOM 301 SD MET A 23 7.409 -0.144 -7.253 1.00 0.00 S ATOM 302 CE MET A 23 6.381 1.317 -7.120 1.00 0.00 C ATOM 0 H MET A 23 4.958 -2.955 -5.100 1.00 0.00 H new ATOM 0 HA MET A 23 6.424 -3.321 -7.599 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.512 -2.850 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.318 -2.555 -6.334 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.758 -1.089 -5.797 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.187 -0.595 -4.911 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.772 2.098 -7.773 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.361 1.073 -7.417 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.383 1.671 -6.089 1.00 0.00 H new ATOM 312 N GLY A 24 5.901 -5.775 -5.844 1.00 0.00 N ATOM 313 CA GLY A 24 6.218 -7.163 -5.563 1.00 0.00 C ATOM 314 C GLY A 24 7.710 -7.429 -5.563 1.00 0.00 C ATOM 315 O GLY A 24 8.361 -7.432 -4.519 1.00 0.00 O ATOM 0 H GLY A 24 4.925 -5.520 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.803 -7.438 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.739 -7.800 -6.307 1.00 0.00 H new ATOM 319 N PRO A 25 8.273 -7.662 -6.758 1.00 0.00 N ATOM 320 CA PRO A 25 9.705 -7.936 -6.918 1.00 0.00 C ATOM 321 C PRO A 25 10.565 -6.708 -6.642 1.00 0.00 C ATOM 322 O PRO A 25 11.063 -6.066 -7.567 1.00 0.00 O ATOM 323 CB PRO A 25 9.824 -8.353 -8.386 1.00 0.00 C ATOM 324 CG PRO A 25 8.666 -7.702 -9.060 1.00 0.00 C ATOM 325 CD PRO A 25 7.557 -7.675 -8.044 1.00 0.00 C ATOM 0 HA PRO A 25 10.056 -8.692 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.769 -8.022 -8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.787 -9.437 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.921 -6.694 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.368 -8.259 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.926 -6.794 -8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.908 -8.546 -8.134 1.00 0.00 H new ATOM 333 N VAL A 26 10.736 -6.386 -5.364 1.00 0.00 N ATOM 334 CA VAL A 26 11.537 -5.235 -4.966 1.00 0.00 C ATOM 335 C VAL A 26 12.267 -5.501 -3.654 1.00 0.00 C ATOM 336 O VAL A 26 11.703 -6.076 -2.723 1.00 0.00 O ATOM 337 CB VAL A 26 10.669 -3.972 -4.811 1.00 0.00 C ATOM 338 CG1 VAL A 26 10.195 -3.823 -3.373 1.00 0.00 C ATOM 339 CG2 VAL A 26 11.438 -2.739 -5.259 1.00 0.00 C ATOM 0 H VAL A 26 10.330 -6.906 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 26 12.267 -5.069 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 26 9.791 -4.075 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.583 -2.925 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.604 -4.695 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.058 -3.742 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.810 -1.856 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.335 -2.629 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.721 -2.847 -6.306 1.00 0.00 H new ATOM 349 N SER A 27 13.525 -5.077 -3.586 1.00 0.00 N ATOM 350 CA SER A 27 14.334 -5.272 -2.389 1.00 0.00 C ATOM 351 C SER A 27 14.035 -4.196 -1.350 1.00 0.00 C ATOM 352 O SER A 27 13.812 -3.034 -1.690 1.00 0.00 O ATOM 353 CB SER A 27 15.822 -5.254 -2.744 1.00 0.00 C ATOM 354 OG SER A 27 16.210 -6.462 -3.375 1.00 0.00 O ATOM 0 H SER A 27 14.006 -4.596 -4.346 1.00 0.00 H new ATOM 0 HA SER A 27 14.081 -6.243 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.032 -4.412 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.413 -5.106 -1.840 1.00 0.00 H new ATOM 0 HG SER A 27 17.165 -6.425 -3.593 1.00 0.00 H new ATOM 360 N ARG A 28 14.031 -4.592 -0.081 1.00 0.00 N ATOM 361 CA ARG A 28 13.758 -3.662 1.009 1.00 0.00 C ATOM 362 C ARG A 28 14.590 -2.392 0.861 1.00 0.00 C ATOM 363 O ARG A 28 14.057 -1.283 0.891 1.00 0.00 O ATOM 364 CB ARG A 28 14.052 -4.323 2.357 1.00 0.00 C ATOM 365 CG ARG A 28 13.251 -3.739 3.509 1.00 0.00 C ATOM 366 CD ARG A 28 13.620 -4.393 4.831 1.00 0.00 C ATOM 367 NE ARG A 28 13.306 -3.536 5.972 1.00 0.00 N ATOM 368 CZ ARG A 28 12.068 -3.234 6.346 1.00 0.00 C ATOM 369 NH1 ARG A 28 11.032 -3.718 5.673 1.00 0.00 N ATOM 370 NH2 ARG A 28 11.863 -2.448 7.395 1.00 0.00 N ATOM 0 H ARG A 28 14.214 -5.550 0.218 1.00 0.00 H new ATOM 0 HA ARG A 28 12.703 -3.391 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.841 -5.390 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.115 -4.223 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.429 -2.665 3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.186 -3.875 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.086 -5.338 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.685 -4.627 4.835 1.00 0.00 H new ATOM 0 HE ARG A 28 14.080 -3.148 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.186 -4.323 4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.082 -3.485 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.657 -2.075 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.912 -2.217 7.681 1.00 0.00 H new ATOM 384 N GLN A 29 15.898 -2.562 0.702 1.00 0.00 N ATOM 385 CA GLN A 29 16.803 -1.429 0.551 1.00 0.00 C ATOM 386 C GLN A 29 16.330 -0.499 -0.562 1.00 0.00 C ATOM 387 O GLN A 29 16.543 0.711 -0.504 1.00 0.00 O ATOM 388 CB GLN A 29 18.222 -1.918 0.254 1.00 0.00 C ATOM 389 CG GLN A 29 18.328 -2.742 -1.019 1.00 0.00 C ATOM 390 CD GLN A 29 19.764 -3.010 -1.423 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.345 -2.273 -2.221 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.346 -4.069 -0.872 1.00 0.00 N ATOM 0 H GLN A 29 16.355 -3.473 0.674 1.00 0.00 H new ATOM 0 HA GLN A 29 16.807 -0.872 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.885 -1.057 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.575 -2.516 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.811 -3.691 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.818 -2.220 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.827 -4.652 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.312 -4.299 -1.105 1.00 0.00 H new ATOM 401 N GLU A 30 15.688 -1.074 -1.574 1.00 0.00 N ATOM 402 CA GLU A 30 15.186 -0.296 -2.700 1.00 0.00 C ATOM 403 C GLU A 30 13.964 0.523 -2.294 1.00 0.00 C ATOM 404 O GLU A 30 14.030 1.748 -2.194 1.00 0.00 O ATOM 405 CB GLU A 30 14.830 -1.218 -3.868 1.00 0.00 C ATOM 406 CG GLU A 30 14.760 -0.505 -5.208 1.00 0.00 C ATOM 407 CD GLU A 30 15.144 -1.402 -6.368 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.353 -1.670 -6.534 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.238 -1.837 -7.108 1.00 0.00 O ATOM 0 H GLU A 30 15.503 -2.075 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 30 15.973 0.389 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.570 -2.016 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.868 -1.690 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.748 -0.130 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.421 0.361 -5.189 1.00 0.00 H new ATOM 416 N ALA A 31 12.849 -0.163 -2.063 1.00 0.00 N ATOM 417 CA ALA A 31 11.613 0.500 -1.667 1.00 0.00 C ATOM 418 C ALA A 31 11.894 1.681 -0.744 1.00 0.00 C ATOM 419 O ALA A 31 11.136 2.650 -0.715 1.00 0.00 O ATOM 420 CB ALA A 31 10.678 -0.491 -0.989 1.00 0.00 C ATOM 0 H ALA A 31 12.777 -1.177 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 31 11.131 0.883 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.758 0.017 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.442 -1.300 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.162 -0.900 -0.103 1.00 0.00 H new ATOM 426 N GLN A 32 12.987 1.593 0.006 1.00 0.00 N ATOM 427 CA GLN A 32 13.367 2.655 0.931 1.00 0.00 C ATOM 428 C GLN A 32 13.927 3.857 0.178 1.00 0.00 C ATOM 429 O GLN A 32 13.479 4.988 0.369 1.00 0.00 O ATOM 430 CB GLN A 32 14.399 2.140 1.936 1.00 0.00 C ATOM 431 CG GLN A 32 13.782 1.500 3.168 1.00 0.00 C ATOM 432 CD GLN A 32 14.682 1.588 4.385 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.033 0.573 4.986 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.061 2.806 4.754 1.00 0.00 N ATOM 0 H GLN A 32 13.625 0.798 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 32 12.474 2.971 1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.042 1.412 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.035 2.968 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.832 1.986 3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.563 0.453 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.746 3.620 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.667 2.928 5.565 1.00 0.00 H new ATOM 443 N THR A 33 14.912 3.605 -0.680 1.00 0.00 N ATOM 444 CA THR A 33 15.535 4.667 -1.460 1.00 0.00 C ATOM 445 C THR A 33 14.521 5.345 -2.375 1.00 0.00 C ATOM 446 O THR A 33 14.702 6.495 -2.774 1.00 0.00 O ATOM 447 CB THR A 33 16.698 4.127 -2.314 1.00 0.00 C ATOM 448 OG1 THR A 33 17.627 5.180 -2.597 1.00 0.00 O ATOM 449 CG2 THR A 33 16.184 3.534 -3.617 1.00 0.00 C ATOM 0 H THR A 33 15.295 2.675 -0.852 1.00 0.00 H new ATOM 0 HA THR A 33 15.923 5.396 -0.749 1.00 0.00 H new ATOM 0 HB THR A 33 17.200 3.341 -1.749 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.364 4.829 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.024 3.160 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.500 2.714 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.660 4.303 -4.185 1.00 0.00 H new ATOM 457 N ARG A 34 13.452 4.625 -2.702 1.00 0.00 N ATOM 458 CA ARG A 34 12.409 5.158 -3.570 1.00 0.00 C ATOM 459 C ARG A 34 11.463 6.066 -2.789 1.00 0.00 C ATOM 460 O ARG A 34 10.855 6.978 -3.351 1.00 0.00 O ATOM 461 CB ARG A 34 11.621 4.017 -4.215 1.00 0.00 C ATOM 462 CG ARG A 34 12.490 2.853 -4.661 1.00 0.00 C ATOM 463 CD ARG A 34 11.852 2.091 -5.813 1.00 0.00 C ATOM 464 NE ARG A 34 12.244 2.632 -7.111 1.00 0.00 N ATOM 465 CZ ARG A 34 11.623 2.338 -8.248 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.586 1.513 -8.246 1.00 0.00 N ATOM 467 NH2 ARG A 34 12.039 2.871 -9.390 1.00 0.00 N ATOM 0 H ARG A 34 13.286 3.672 -2.379 1.00 0.00 H new ATOM 0 HA ARG A 34 12.888 5.748 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.878 3.654 -3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.077 4.404 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.468 3.224 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.653 2.177 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.139 1.041 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.767 2.130 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 34 13.038 3.271 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.263 1.102 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.111 1.289 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.836 3.507 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.561 2.645 -10.262 1.00 0.00 H new ATOM 481 N LEU A 35 11.344 5.811 -1.491 1.00 0.00 N ATOM 482 CA LEU A 35 10.472 6.604 -0.632 1.00 0.00 C ATOM 483 C LEU A 35 11.286 7.411 0.374 1.00 0.00 C ATOM 484 O LEU A 35 10.733 8.009 1.297 1.00 0.00 O ATOM 485 CB LEU A 35 9.484 5.697 0.104 1.00 0.00 C ATOM 486 CG LEU A 35 8.621 4.792 -0.776 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.110 3.602 0.022 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.460 5.576 -1.370 1.00 0.00 C ATOM 0 H LEU A 35 11.841 5.061 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 35 9.917 7.298 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.044 5.069 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.824 6.323 0.704 1.00 0.00 H new ATOM 0 HG LEU A 35 9.237 4.418 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.498 2.969 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.956 3.027 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.510 3.957 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.857 4.916 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.844 5.979 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.847 6.395 -1.977 1.00 0.00 H new ATOM 500 N GLN A 36 12.602 7.423 0.189 1.00 0.00 N ATOM 501 CA GLN A 36 13.492 8.158 1.080 1.00 0.00 C ATOM 502 C GLN A 36 13.637 9.608 0.630 1.00 0.00 C ATOM 503 O GLN A 36 14.221 9.888 -0.416 1.00 0.00 O ATOM 504 CB GLN A 36 14.865 7.487 1.130 1.00 0.00 C ATOM 505 CG GLN A 36 15.934 8.338 1.797 1.00 0.00 C ATOM 506 CD GLN A 36 15.839 8.315 3.310 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.532 7.545 3.975 1.00 0.00 O ATOM 508 NE2 GLN A 36 14.978 9.161 3.862 1.00 0.00 N ATOM 0 H GLN A 36 13.075 6.932 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 36 13.055 8.149 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.779 6.541 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.182 7.251 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.918 7.982 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.845 9.366 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.424 9.782 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.871 9.190 4.876 1.00 0.00 H new ATOM 517 N GLY A 37 13.101 10.527 1.428 1.00 0.00 N ATOM 518 CA GLY A 37 13.182 11.937 1.095 1.00 0.00 C ATOM 519 C GLY A 37 12.062 12.380 0.174 1.00 0.00 C ATOM 520 O GLY A 37 11.679 13.549 0.172 1.00 0.00 O ATOM 0 H GLY A 37 12.612 10.320 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.149 12.526 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.141 12.140 0.619 1.00 0.00 H new ATOM 524 N GLN A 38 11.538 11.444 -0.610 1.00 0.00 N ATOM 525 CA GLN A 38 10.457 11.745 -1.541 1.00 0.00 C ATOM 526 C GLN A 38 9.339 12.515 -0.846 1.00 0.00 C ATOM 527 O GLN A 38 9.227 12.495 0.380 1.00 0.00 O ATOM 528 CB GLN A 38 9.903 10.455 -2.148 1.00 0.00 C ATOM 529 CG GLN A 38 10.870 9.765 -3.097 1.00 0.00 C ATOM 530 CD GLN A 38 11.621 10.743 -3.979 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.618 11.334 -3.562 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.145 10.920 -5.206 1.00 0.00 N ATOM 0 H GLN A 38 11.844 10.471 -0.619 1.00 0.00 H new ATOM 0 HA GLN A 38 10.862 12.368 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.643 9.767 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.981 10.682 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.585 9.180 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.319 9.065 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.316 10.409 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.608 11.566 -5.844 1.00 0.00 H new ATOM 541 N ARG A 39 8.513 13.192 -1.637 1.00 0.00 N ATOM 542 CA ARG A 39 7.404 13.970 -1.097 1.00 0.00 C ATOM 543 C ARG A 39 6.542 13.117 -0.171 1.00 0.00 C ATOM 544 O ARG A 39 6.463 11.898 -0.327 1.00 0.00 O ATOM 545 CB ARG A 39 6.548 14.533 -2.233 1.00 0.00 C ATOM 546 CG ARG A 39 5.654 13.497 -2.894 1.00 0.00 C ATOM 547 CD ARG A 39 6.321 12.883 -4.114 1.00 0.00 C ATOM 548 NE ARG A 39 6.013 13.621 -5.336 1.00 0.00 N ATOM 549 CZ ARG A 39 4.852 13.533 -5.975 1.00 0.00 C ATOM 550 NH1 ARG A 39 3.894 12.744 -5.509 1.00 0.00 N ATOM 551 NH2 ARG A 39 4.647 14.237 -7.081 1.00 0.00 N ATOM 0 H ARG A 39 8.591 13.218 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 39 7.819 14.796 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.928 15.340 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.202 14.970 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.412 12.713 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.713 13.961 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.401 12.863 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.995 11.849 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 39 6.729 14.238 -5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.048 12.203 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.003 12.678 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.381 14.846 -7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.755 14.169 -7.571 1.00 0.00 H new ATOM 565 N HIS A 40 5.897 13.766 0.793 1.00 0.00 N ATOM 566 CA HIS A 40 5.041 13.067 1.745 1.00 0.00 C ATOM 567 C HIS A 40 3.760 12.585 1.070 1.00 0.00 C ATOM 568 O HIS A 40 2.933 13.387 0.639 1.00 0.00 O ATOM 569 CB HIS A 40 4.698 13.981 2.921 1.00 0.00 C ATOM 570 CG HIS A 40 5.872 14.298 3.796 1.00 0.00 C ATOM 571 ND1 HIS A 40 5.917 15.397 4.627 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.049 13.651 3.966 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.071 15.414 5.269 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.776 14.364 4.887 1.00 0.00 N ATOM 0 H HIS A 40 5.951 14.775 0.936 1.00 0.00 H new ATOM 0 HA HIS A 40 5.585 12.199 2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.280 14.912 2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.923 13.508 3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.358 12.743 3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.385 16.159 5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.709 14.122 5.222 1.00 0.00 H new ATOM 583 N GLY A 41 3.603 11.267 0.982 1.00 0.00 N ATOM 584 CA GLY A 41 2.421 10.701 0.358 1.00 0.00 C ATOM 585 C GLY A 41 2.739 9.481 -0.484 1.00 0.00 C ATOM 586 O GLY A 41 1.890 8.609 -0.670 1.00 0.00 O ATOM 0 H GLY A 41 4.273 10.582 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.701 10.429 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.947 11.457 -0.268 1.00 0.00 H new ATOM 590 N MET A 42 3.963 9.420 -0.997 1.00 0.00 N ATOM 591 CA MET A 42 4.390 8.298 -1.825 1.00 0.00 C ATOM 592 C MET A 42 4.265 6.982 -1.064 1.00 0.00 C ATOM 593 O MET A 42 4.447 6.939 0.153 1.00 0.00 O ATOM 594 CB MET A 42 5.834 8.498 -2.288 1.00 0.00 C ATOM 595 CG MET A 42 6.176 7.737 -3.558 1.00 0.00 C ATOM 596 SD MET A 42 7.789 8.188 -4.226 1.00 0.00 S ATOM 597 CE MET A 42 7.422 9.786 -4.947 1.00 0.00 C ATOM 0 H MET A 42 4.677 10.134 -0.854 1.00 0.00 H new ATOM 0 HA MET A 42 3.739 8.255 -2.698 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.010 9.561 -2.453 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.509 8.183 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.159 6.667 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.410 7.929 -4.309 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.941 9.883 -5.901 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.348 9.875 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.754 10.575 -4.272 1.00 0.00 H new ATOM 607 N PHE A 43 3.954 5.912 -1.787 1.00 0.00 N ATOM 608 CA PHE A 43 3.803 4.595 -1.179 1.00 0.00 C ATOM 609 C PHE A 43 4.027 3.492 -2.209 1.00 0.00 C ATOM 610 O PHE A 43 4.151 3.759 -3.405 1.00 0.00 O ATOM 611 CB PHE A 43 2.413 4.453 -0.556 1.00 0.00 C ATOM 612 CG PHE A 43 1.356 4.037 -1.539 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.201 2.705 -1.887 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.517 4.978 -2.114 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.229 2.320 -2.791 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.457 4.598 -3.018 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.601 3.267 -3.357 1.00 0.00 C ATOM 0 H PHE A 43 3.801 5.931 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 43 4.555 4.495 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.458 3.720 0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.126 5.404 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.847 1.959 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.625 6.020 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.119 1.278 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.105 5.341 -3.459 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.361 2.968 -4.063 1.00 0.00 H new ATOM 627 N LEU A 44 4.078 2.252 -1.736 1.00 0.00 N ATOM 628 CA LEU A 44 4.287 1.106 -2.615 1.00 0.00 C ATOM 629 C LEU A 44 4.166 -0.203 -1.842 1.00 0.00 C ATOM 630 O LEU A 44 4.537 -0.281 -0.670 1.00 0.00 O ATOM 631 CB LEU A 44 5.662 1.193 -3.281 1.00 0.00 C ATOM 632 CG LEU A 44 6.868 1.081 -2.347 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.261 -0.375 -2.155 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.040 1.885 -2.891 1.00 0.00 C ATOM 0 H LEU A 44 3.978 2.014 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 44 3.515 1.125 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.732 0.403 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.727 2.142 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 44 6.591 1.492 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.121 -0.435 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.425 -0.923 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.519 -0.812 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.889 1.794 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.317 1.504 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.754 2.933 -2.975 1.00 0.00 H new ATOM 646 N VAL A 45 3.645 -1.230 -2.505 1.00 0.00 N ATOM 647 CA VAL A 45 3.478 -2.538 -1.881 1.00 0.00 C ATOM 648 C VAL A 45 4.485 -3.541 -2.430 1.00 0.00 C ATOM 649 O VAL A 45 4.493 -3.838 -3.625 1.00 0.00 O ATOM 650 CB VAL A 45 2.054 -3.085 -2.097 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.908 -4.459 -1.462 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.021 -2.117 -1.538 1.00 0.00 C ATOM 0 H VAL A 45 3.331 -1.182 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 45 3.649 -2.404 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 45 1.881 -3.186 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.896 -4.829 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.623 -5.147 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.100 -4.387 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.021 -2.519 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.190 -1.982 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.112 -1.156 -2.044 1.00 0.00 H new ATOM 662 N ARG A 46 5.333 -4.062 -1.550 1.00 0.00 N ATOM 663 CA ARG A 46 6.346 -5.033 -1.946 1.00 0.00 C ATOM 664 C ARG A 46 6.122 -6.370 -1.245 1.00 0.00 C ATOM 665 O ARG A 46 5.231 -6.500 -0.406 1.00 0.00 O ATOM 666 CB ARG A 46 7.744 -4.504 -1.623 1.00 0.00 C ATOM 667 CG ARG A 46 7.852 -3.870 -0.246 1.00 0.00 C ATOM 668 CD ARG A 46 9.294 -3.531 0.100 1.00 0.00 C ATOM 669 NE ARG A 46 9.957 -4.623 0.808 1.00 0.00 N ATOM 670 CZ ARG A 46 9.893 -4.792 2.124 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.198 -3.946 2.871 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.524 -5.811 2.695 1.00 0.00 N ATOM 0 H ARG A 46 5.339 -3.828 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 46 6.263 -5.188 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.459 -5.324 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.028 -3.768 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.246 -2.964 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.448 -4.552 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.843 -3.305 -0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.318 -2.632 0.716 1.00 0.00 H new ATOM 0 HE ARG A 46 10.499 -5.293 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.711 -3.163 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.150 -4.078 3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.059 -6.465 2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.474 -5.940 3.706 1.00 0.00 H new ATOM 686 N ASP A 47 6.934 -7.360 -1.597 1.00 0.00 N ATOM 687 CA ASP A 47 6.826 -8.687 -1.002 1.00 0.00 C ATOM 688 C ASP A 47 7.621 -8.766 0.298 1.00 0.00 C ATOM 689 O ASP A 47 8.805 -8.433 0.334 1.00 0.00 O ATOM 690 CB ASP A 47 7.319 -9.751 -1.983 1.00 0.00 C ATOM 691 CG ASP A 47 6.993 -11.158 -1.523 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.944 -11.340 -0.870 1.00 0.00 O ATOM 693 OD2 ASP A 47 7.786 -12.078 -1.815 1.00 0.00 O ATOM 0 H ASP A 47 7.675 -7.269 -2.292 1.00 0.00 H new ATOM 0 HA ASP A 47 5.776 -8.873 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.867 -9.577 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.397 -9.654 -2.108 1.00 0.00 H new ATOM 698 N SER A 48 6.961 -9.209 1.363 1.00 0.00 N ATOM 699 CA SER A 48 7.605 -9.328 2.666 1.00 0.00 C ATOM 700 C SER A 48 8.685 -10.406 2.642 1.00 0.00 C ATOM 701 O SER A 48 8.438 -11.538 2.225 1.00 0.00 O ATOM 702 CB SER A 48 6.568 -9.653 3.743 1.00 0.00 C ATOM 703 OG SER A 48 6.993 -9.193 5.015 1.00 0.00 O ATOM 0 H SER A 48 5.981 -9.491 1.349 1.00 0.00 H new ATOM 0 HA SER A 48 8.075 -8.373 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.615 -9.191 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.401 -10.730 3.779 1.00 0.00 H new ATOM 0 HG SER A 48 6.313 -9.411 5.686 1.00 0.00 H new ATOM 766 N ASP A 54 3.004 -12.546 3.682 1.00 0.00 N ATOM 767 CA ASP A 54 2.723 -11.197 4.161 1.00 0.00 C ATOM 768 C ASP A 54 3.313 -10.153 3.218 1.00 0.00 C ATOM 769 O ASP A 54 4.200 -10.453 2.419 1.00 0.00 O ATOM 770 CB ASP A 54 3.285 -11.005 5.570 1.00 0.00 C ATOM 771 CG ASP A 54 2.412 -11.643 6.633 1.00 0.00 C ATOM 772 OD1 ASP A 54 2.563 -12.860 6.873 1.00 0.00 O ATOM 773 OD2 ASP A 54 1.579 -10.926 7.225 1.00 0.00 O ATOM 0 HA ASP A 54 1.641 -11.066 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.286 -11.434 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.384 -9.939 5.777 1.00 0.00 H new ATOM 778 N TYR A 55 2.813 -8.926 3.316 1.00 0.00 N ATOM 779 CA TYR A 55 3.288 -7.837 2.470 1.00 0.00 C ATOM 780 C TYR A 55 3.738 -6.648 3.313 1.00 0.00 C ATOM 781 O TYR A 55 3.412 -6.552 4.496 1.00 0.00 O ATOM 782 CB TYR A 55 2.189 -7.402 1.499 1.00 0.00 C ATOM 783 CG TYR A 55 1.822 -8.462 0.486 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.765 -8.953 -0.409 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.531 -8.973 0.422 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.433 -9.921 -1.337 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.191 -9.943 -0.501 1.00 0.00 C ATOM 788 CZ TYR A 55 1.146 -10.413 -1.379 1.00 0.00 C ATOM 789 OH TYR A 55 0.811 -11.378 -2.301 1.00 0.00 O ATOM 0 H TYR A 55 2.079 -8.661 3.973 1.00 0.00 H new ATOM 0 HA TYR A 55 4.144 -8.199 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.299 -7.132 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.515 -6.505 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.775 -8.571 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.220 -8.605 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.178 -10.290 -2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.816 -10.331 -0.535 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.134 -11.616 -2.196 1.00 0.00 H new ATOM 799 N VAL A 56 4.488 -5.742 2.694 1.00 0.00 N ATOM 800 CA VAL A 56 4.982 -4.558 3.385 1.00 0.00 C ATOM 801 C VAL A 56 4.690 -3.293 2.586 1.00 0.00 C ATOM 802 O VAL A 56 5.167 -3.132 1.461 1.00 0.00 O ATOM 803 CB VAL A 56 6.498 -4.649 3.644 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.969 -3.472 4.483 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.844 -5.968 4.318 1.00 0.00 C ATOM 0 H VAL A 56 4.767 -5.806 1.715 1.00 0.00 H new ATOM 0 HA VAL A 56 4.460 -4.510 4.341 1.00 0.00 H new ATOM 0 HB VAL A 56 7.016 -4.610 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.042 -3.554 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.756 -2.542 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.447 -3.475 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.919 -6.016 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.317 -6.040 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.544 -6.795 3.674 1.00 0.00 H new ATOM 815 N LEU A 57 3.904 -2.397 3.172 1.00 0.00 N ATOM 816 CA LEU A 57 3.547 -1.145 2.515 1.00 0.00 C ATOM 817 C LEU A 57 4.527 -0.036 2.887 1.00 0.00 C ATOM 818 O LEU A 57 4.440 0.546 3.968 1.00 0.00 O ATOM 819 CB LEU A 57 2.124 -0.733 2.896 1.00 0.00 C ATOM 820 CG LEU A 57 1.649 0.617 2.357 1.00 0.00 C ATOM 821 CD1 LEU A 57 2.331 1.758 3.096 1.00 0.00 C ATOM 822 CD2 LEU A 57 1.912 0.716 0.861 1.00 0.00 C ATOM 0 H LEU A 57 3.501 -2.514 4.102 1.00 0.00 H new ATOM 0 HA LEU A 57 3.596 -1.302 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.438 -1.504 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.052 -0.713 3.983 1.00 0.00 H new ATOM 0 HG LEU A 57 0.575 0.695 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.980 2.710 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.092 1.698 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.410 1.685 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.568 1.683 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.981 0.616 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.376 -0.080 0.344 1.00 0.00 H new ATOM 834 N SER A 58 5.458 0.252 1.983 1.00 0.00 N ATOM 835 CA SER A 58 6.455 1.290 2.217 1.00 0.00 C ATOM 836 C SER A 58 5.900 2.666 1.864 1.00 0.00 C ATOM 837 O SER A 58 5.488 2.910 0.730 1.00 0.00 O ATOM 838 CB SER A 58 7.716 1.010 1.396 1.00 0.00 C ATOM 839 OG SER A 58 8.087 -0.355 1.482 1.00 0.00 O ATOM 0 H SER A 58 5.543 -0.219 1.082 1.00 0.00 H new ATOM 0 HA SER A 58 6.710 1.282 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.542 1.278 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.534 1.636 1.754 1.00 0.00 H new ATOM 0 HG SER A 58 9.059 -0.436 1.391 1.00 0.00 H new ATOM 845 N VAL A 59 5.892 3.564 2.845 1.00 0.00 N ATOM 846 CA VAL A 59 5.389 4.917 2.639 1.00 0.00 C ATOM 847 C VAL A 59 6.427 5.957 3.045 1.00 0.00 C ATOM 848 O VAL A 59 7.249 5.716 3.929 1.00 0.00 O ATOM 849 CB VAL A 59 4.094 5.161 3.437 1.00 0.00 C ATOM 850 CG1 VAL A 59 4.024 6.605 3.911 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.876 4.808 2.596 1.00 0.00 C ATOM 0 H VAL A 59 6.228 3.378 3.790 1.00 0.00 H new ATOM 0 HA VAL A 59 5.176 5.017 1.575 1.00 0.00 H new ATOM 0 HB VAL A 59 4.101 4.515 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.103 6.759 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.880 6.820 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.039 7.272 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.970 4.986 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.861 5.427 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.923 3.757 2.310 1.00 0.00 H new ATOM 861 N SER A 60 6.383 7.114 2.393 1.00 0.00 N ATOM 862 CA SER A 60 7.322 8.191 2.683 1.00 0.00 C ATOM 863 C SER A 60 6.700 9.215 3.629 1.00 0.00 C ATOM 864 O SER A 60 5.841 10.000 3.230 1.00 0.00 O ATOM 865 CB SER A 60 7.761 8.877 1.388 1.00 0.00 C ATOM 866 OG SER A 60 8.934 9.646 1.590 1.00 0.00 O ATOM 0 H SER A 60 5.707 7.330 1.660 1.00 0.00 H new ATOM 0 HA SER A 60 8.195 7.756 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.943 8.126 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.960 9.520 1.023 1.00 0.00 H new ATOM 0 HG SER A 60 9.700 9.048 1.717 1.00 0.00 H new ATOM 872 N GLU A 61 7.141 9.198 4.882 1.00 0.00 N ATOM 873 CA GLU A 61 6.627 10.124 5.885 1.00 0.00 C ATOM 874 C GLU A 61 7.642 10.331 7.005 1.00 0.00 C ATOM 875 O GLU A 61 8.330 9.397 7.415 1.00 0.00 O ATOM 876 CB GLU A 61 5.311 9.602 6.465 1.00 0.00 C ATOM 877 CG GLU A 61 4.687 10.534 7.491 1.00 0.00 C ATOM 878 CD GLU A 61 3.862 9.793 8.526 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.443 9.350 9.539 1.00 0.00 O ATOM 880 OE2 GLU A 61 2.638 9.656 8.323 1.00 0.00 O ATOM 0 H GLU A 61 7.853 8.554 5.227 1.00 0.00 H new ATOM 0 HA GLU A 61 6.447 11.083 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.603 9.444 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.487 8.631 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.475 11.095 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.055 11.260 6.980 1.00 0.00 H new ATOM 887 N ASN A 62 7.730 11.564 7.495 1.00 0.00 N ATOM 888 CA ASN A 62 8.662 11.895 8.567 1.00 0.00 C ATOM 889 C ASN A 62 10.103 11.655 8.129 1.00 0.00 C ATOM 890 O ASN A 62 10.858 10.951 8.800 1.00 0.00 O ATOM 891 CB ASN A 62 8.351 11.067 9.815 1.00 0.00 C ATOM 892 CG ASN A 62 7.235 11.670 10.646 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.385 12.749 11.218 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.107 10.973 10.715 1.00 0.00 N ATOM 0 H ASN A 62 7.168 12.349 7.167 1.00 0.00 H new ATOM 0 HA ASN A 62 8.545 12.953 8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.073 10.056 9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.250 10.983 10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.320 11.328 11.259 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.027 10.082 10.224 1.00 0.00 H new ATOM 901 N SER A 63 10.479 12.244 6.998 1.00 0.00 N ATOM 902 CA SER A 63 11.829 12.091 6.468 1.00 0.00 C ATOM 903 C SER A 63 12.307 10.649 6.607 1.00 0.00 C ATOM 904 O SER A 63 13.493 10.395 6.817 1.00 0.00 O ATOM 905 CB SER A 63 12.793 13.032 7.192 1.00 0.00 C ATOM 906 OG SER A 63 12.740 14.338 6.643 1.00 0.00 O ATOM 0 H SER A 63 9.868 12.832 6.431 1.00 0.00 H new ATOM 0 HA SER A 63 11.808 12.348 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.542 13.069 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.809 12.644 7.118 1.00 0.00 H new ATOM 0 HG SER A 63 13.364 14.921 7.124 1.00 0.00 H new ATOM 912 N ARG A 64 11.375 9.709 6.488 1.00 0.00 N ATOM 913 CA ARG A 64 11.700 8.293 6.602 1.00 0.00 C ATOM 914 C ARG A 64 10.697 7.441 5.828 1.00 0.00 C ATOM 915 O ARG A 64 9.745 7.961 5.245 1.00 0.00 O ATOM 916 CB ARG A 64 11.719 7.868 8.071 1.00 0.00 C ATOM 917 CG ARG A 64 10.339 7.808 8.706 1.00 0.00 C ATOM 918 CD ARG A 64 10.381 7.134 10.068 1.00 0.00 C ATOM 919 NE ARG A 64 9.259 7.536 10.912 1.00 0.00 N ATOM 920 CZ ARG A 64 9.096 7.122 12.164 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.978 6.300 12.714 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.048 7.531 12.868 1.00 0.00 N ATOM 0 H ARG A 64 10.389 9.903 6.313 1.00 0.00 H new ATOM 0 HA ARG A 64 12.690 8.138 6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.189 6.888 8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.339 8.566 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.941 8.817 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.659 7.264 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.367 6.052 9.938 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.318 7.383 10.567 1.00 0.00 H new ATOM 0 HE ARG A 64 8.563 8.169 10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.785 5.983 12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.850 5.984 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.367 8.164 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.924 7.213 13.829 1.00 0.00 H new ATOM 936 N VAL A 65 10.918 6.131 5.827 1.00 0.00 N ATOM 937 CA VAL A 65 10.034 5.207 5.126 1.00 0.00 C ATOM 938 C VAL A 65 9.119 4.475 6.101 1.00 0.00 C ATOM 939 O VAL A 65 9.526 3.505 6.741 1.00 0.00 O ATOM 940 CB VAL A 65 10.835 4.171 4.314 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.899 3.301 3.489 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.854 4.866 3.423 1.00 0.00 C ATOM 0 H VAL A 65 11.702 5.685 6.304 1.00 0.00 H new ATOM 0 HA VAL A 65 9.429 5.804 4.443 1.00 0.00 H new ATOM 0 HB VAL A 65 11.373 3.527 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.482 2.575 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.212 2.776 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.332 3.928 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.411 4.120 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.338 5.535 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.544 5.442 4.040 1.00 0.00 H new ATOM 952 N SER A 66 7.881 4.945 6.209 1.00 0.00 N ATOM 953 CA SER A 66 6.908 4.337 7.109 1.00 0.00 C ATOM 954 C SER A 66 6.480 2.964 6.599 1.00 0.00 C ATOM 955 O SER A 66 5.499 2.839 5.865 1.00 0.00 O ATOM 956 CB SER A 66 5.683 5.243 7.257 1.00 0.00 C ATOM 957 OG SER A 66 5.988 6.389 8.033 1.00 0.00 O ATOM 0 H SER A 66 7.528 5.745 5.684 1.00 0.00 H new ATOM 0 HA SER A 66 7.380 4.213 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.332 5.550 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.871 4.688 7.726 1.00 0.00 H new ATOM 0 HG SER A 66 5.161 6.869 8.246 1.00 0.00 H new ATOM 963 N HIS A 67 7.224 1.936 6.994 1.00 0.00 N ATOM 964 CA HIS A 67 6.923 0.570 6.579 1.00 0.00 C ATOM 965 C HIS A 67 5.719 0.024 7.340 1.00 0.00 C ATOM 966 O HIS A 67 5.825 -0.334 8.514 1.00 0.00 O ATOM 967 CB HIS A 67 8.136 -0.333 6.802 1.00 0.00 C ATOM 968 CG HIS A 67 9.302 0.002 5.924 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.395 -0.404 4.610 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.427 0.711 6.178 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.528 0.038 4.094 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.172 0.718 5.025 1.00 0.00 N ATOM 0 H HIS A 67 8.039 2.023 7.601 1.00 0.00 H new ATOM 0 HA HIS A 67 6.682 0.584 5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.445 -0.262 7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.845 -1.369 6.626 1.00 0.00 H new ATOM 0 HD1 HIS A 67 8.698 -0.959 4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.689 1.183 7.113 1.00 0.00 H new ATOM 0 HE1 HIS A 67 10.869 -0.128 3.083 1.00 0.00 H new ATOM 981 N TYR A 68 4.576 -0.037 6.666 1.00 0.00 N ATOM 982 CA TYR A 68 3.352 -0.537 7.280 1.00 0.00 C ATOM 983 C TYR A 68 3.090 -1.984 6.874 1.00 0.00 C ATOM 984 O TYR A 68 2.531 -2.249 5.809 1.00 0.00 O ATOM 985 CB TYR A 68 2.163 0.340 6.884 1.00 0.00 C ATOM 986 CG TYR A 68 2.183 1.711 7.520 1.00 0.00 C ATOM 987 CD1 TYR A 68 1.948 1.872 8.880 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.437 2.847 6.761 1.00 0.00 C ATOM 989 CE1 TYR A 68 1.964 3.123 9.465 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.457 4.102 7.338 1.00 0.00 C ATOM 991 CZ TYR A 68 2.220 4.235 8.690 1.00 0.00 C ATOM 992 OH TYR A 68 2.239 5.483 9.269 1.00 0.00 O ATOM 0 H TYR A 68 4.472 0.254 5.694 1.00 0.00 H new ATOM 0 HA TYR A 68 3.477 -0.500 8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.150 0.452 5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.239 -0.167 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.749 1.003 9.490 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.622 2.747 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.777 3.230 10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.657 4.974 6.734 1.00 0.00 H new ATOM 0 HH TYR A 68 2.435 6.158 8.586 1.00 0.00 H new ATOM 1002 N ILE A 69 3.496 -2.915 7.730 1.00 0.00 N ATOM 1003 CA ILE A 69 3.304 -4.335 7.461 1.00 0.00 C ATOM 1004 C ILE A 69 1.830 -4.658 7.240 1.00 0.00 C ATOM 1005 O ILE A 69 0.952 -4.043 7.846 1.00 0.00 O ATOM 1006 CB ILE A 69 3.841 -5.203 8.614 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.352 -5.016 8.762 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.504 -6.667 8.376 1.00 0.00 C ATOM 1009 CD1 ILE A 69 5.923 -5.666 10.003 1.00 0.00 C ATOM 0 H ILE A 69 3.960 -2.712 8.615 1.00 0.00 H new ATOM 0 HA ILE A 69 3.863 -4.563 6.554 1.00 0.00 H new ATOM 0 HB ILE A 69 3.363 -4.886 9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.849 -5.429 7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.578 -3.950 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.890 -7.268 9.199 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.422 -6.786 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.958 -6.998 7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.998 -5.493 10.042 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.454 -5.236 10.888 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.729 -6.738 9.974 1.00 0.00 H new ATOM 1021 N ILE A 70 1.567 -5.627 6.370 1.00 0.00 N ATOM 1022 CA ILE A 70 0.200 -6.034 6.071 1.00 0.00 C ATOM 1023 C ILE A 70 -0.018 -7.508 6.394 1.00 0.00 C ATOM 1024 O ILE A 70 0.471 -8.388 5.687 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.151 -5.787 4.591 1.00 0.00 C ATOM 1026 CG1 ILE A 70 0.037 -4.310 4.240 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.578 -6.228 4.304 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.439 -3.971 3.783 1.00 0.00 C ATOM 0 H ILE A 70 2.283 -6.145 5.860 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.454 -5.427 6.697 1.00 0.00 H new ATOM 0 HB ILE A 70 0.522 -6.377 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.668 -4.039 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.209 -3.704 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.811 -6.047 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.681 -7.291 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.267 -5.662 4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.499 -2.908 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.148 -4.210 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.682 -4.551 2.892 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.759 -7.770 7.467 1.00 0.00 N ATOM 1041 CA ASN A 71 -1.043 -9.138 7.883 1.00 0.00 C ATOM 1042 C ASN A 71 -1.989 -9.820 6.900 1.00 0.00 C ATOM 1043 O ASN A 71 -2.928 -9.204 6.397 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.653 -9.149 9.287 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.728 -8.541 10.324 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -1.135 -7.683 11.107 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.523 -8.985 10.332 1.00 0.00 N ATOM 0 H ASN A 71 -1.173 -7.053 8.063 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.103 -9.690 7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.594 -8.598 9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.888 -10.175 9.570 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.192 -8.613 11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.815 -9.698 9.664 1.00 0.00 H new ATOM 1054 N SER A 72 -1.735 -11.097 6.632 1.00 0.00 N ATOM 1055 CA SER A 72 -2.562 -11.863 5.707 1.00 0.00 C ATOM 1056 C SER A 72 -3.614 -12.672 6.460 1.00 0.00 C ATOM 1057 O SER A 72 -3.300 -13.671 7.107 1.00 0.00 O ATOM 1058 CB SER A 72 -1.691 -12.798 4.865 1.00 0.00 C ATOM 1059 OG SER A 72 -2.487 -13.645 4.055 1.00 0.00 O ATOM 0 H SER A 72 -0.963 -11.623 7.042 1.00 0.00 H new ATOM 0 HA SER A 72 -3.072 -11.160 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.024 -12.210 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.062 -13.402 5.519 1.00 0.00 H new ATOM 0 HG SER A 72 -1.907 -14.231 3.526 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.864 -12.232 6.371 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.965 -12.913 7.044 1.00 0.00 C ATOM 1067 C LEU A 73 -6.365 -14.177 6.290 1.00 0.00 C ATOM 1068 O LEU A 73 -6.215 -14.276 5.071 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.169 -11.978 7.169 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.887 -10.595 7.758 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.115 -9.706 7.644 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.445 -10.714 9.210 1.00 0.00 C ATOM 0 H LEU A 73 -5.141 -11.407 5.839 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.629 -13.197 8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.606 -11.847 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.921 -12.468 7.787 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.078 -10.137 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.896 -8.726 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.387 -9.594 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.944 -10.159 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.249 -9.721 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.233 -11.193 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.537 -11.314 9.266 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.887 -15.167 7.028 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.322 -16.442 6.450 1.00 0.00 C ATOM 1086 C PRO A 74 -8.572 -16.292 5.590 1.00 0.00 C ATOM 1087 O PRO A 74 -8.897 -17.169 4.791 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.619 -17.306 7.678 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.940 -16.331 8.758 1.00 0.00 C ATOM 1090 CD PRO A 74 -7.095 -15.118 8.486 1.00 0.00 C ATOM 0 HA PRO A 74 -6.569 -16.866 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.454 -17.982 7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.761 -17.924 7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.000 -16.077 8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.718 -16.749 9.740 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.599 -14.201 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.150 -15.157 9.028 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.270 -15.173 5.758 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.485 -14.908 4.996 1.00 0.00 C ATOM 1100 C ASN A 75 -10.172 -14.116 3.731 1.00 0.00 C ATOM 1101 O ASN A 75 -10.898 -13.189 3.371 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.493 -14.142 5.855 1.00 0.00 C ATOM 1103 CG ASN A 75 -11.773 -14.834 7.175 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -12.054 -16.032 7.213 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.698 -14.081 8.266 1.00 0.00 N ATOM 0 H ASN A 75 -9.015 -14.436 6.415 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.918 -15.865 4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.113 -13.139 6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.426 -14.029 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.877 -14.492 9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.462 -13.092 8.188 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.087 -14.488 3.060 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.677 -13.812 1.835 1.00 0.00 C ATOM 1114 C ARG A 76 -8.757 -12.297 1.997 1.00 0.00 C ATOM 1115 O ARG A 76 -9.253 -11.594 1.116 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.554 -14.257 0.663 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.294 -15.686 0.216 1.00 0.00 C ATOM 1118 CD ARG A 76 -9.621 -15.878 -1.256 1.00 0.00 C ATOM 1119 NE ARG A 76 -9.710 -17.290 -1.618 1.00 0.00 N ATOM 1120 CZ ARG A 76 -10.752 -18.060 -1.324 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -11.788 -17.556 -0.667 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -10.760 -19.336 -1.687 1.00 0.00 N ATOM 0 H ARG A 76 -8.476 -15.254 3.344 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.642 -14.084 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.602 -14.159 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.388 -13.586 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.249 -15.939 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.894 -16.371 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.566 -15.385 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.855 -15.396 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.929 -17.708 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.786 -16.575 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.587 -18.149 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.965 -19.727 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.561 -19.926 -1.460 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.267 -11.801 3.128 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.285 -10.370 3.407 1.00 0.00 C ATOM 1138 C ARG A 77 -6.949 -9.911 3.983 1.00 0.00 C ATOM 1139 O ARG A 77 -6.143 -10.726 4.435 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.415 -10.032 4.381 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.794 -10.041 3.741 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.895 -10.035 4.790 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.212 -9.809 4.200 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.285 -9.471 4.906 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.198 -9.321 6.220 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.449 -9.283 4.297 1.00 0.00 N ATOM 0 H ARG A 77 -7.852 -12.369 3.867 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.456 -9.845 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.401 -10.747 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.230 -9.048 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.902 -9.170 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.897 -10.923 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.894 -10.987 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.690 -9.258 5.527 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.313 -9.917 3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.305 -9.465 6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.024 -9.061 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.520 -9.398 3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.273 -9.023 4.840 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.719 -8.603 3.963 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.480 -8.036 4.482 1.00 0.00 C ATOM 1162 C PHE A 78 -5.753 -7.151 5.695 1.00 0.00 C ATOM 1163 O PHE A 78 -6.727 -6.399 5.724 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.771 -7.225 3.395 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.225 -8.068 2.278 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.205 -8.975 2.512 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.733 -7.953 0.994 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.701 -9.752 1.486 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.233 -8.728 -0.036 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.216 -9.629 0.211 1.00 0.00 C ATOM 0 H PHE A 78 -7.375 -7.915 3.593 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.835 -8.858 4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.470 -6.497 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.954 -6.662 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.799 -9.076 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.529 -7.250 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.905 -10.455 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.637 -8.629 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.824 -10.236 -0.592 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.885 -7.248 6.697 1.00 0.00 N ATOM 1181 CA LYS A 79 -5.030 -6.458 7.914 1.00 0.00 C ATOM 1182 C LYS A 79 -3.783 -5.618 8.168 1.00 0.00 C ATOM 1183 O LYS A 79 -2.754 -6.133 8.607 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.294 -7.373 9.112 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.295 -6.645 10.445 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.232 -7.616 11.611 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.826 -6.916 12.899 1.00 0.00 C ATOM 1188 NZ LYS A 79 -3.349 -6.914 13.089 1.00 0.00 N ATOM 0 H LYS A 79 -4.074 -7.866 6.690 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.879 -5.787 7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.256 -7.867 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.535 -8.155 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.444 -5.965 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.195 -6.035 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.205 -8.090 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.519 -8.410 11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.191 -5.889 12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.300 -7.411 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.107 -7.466 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.891 -7.339 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.015 -5.936 13.206 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.882 -4.322 7.891 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.763 -3.410 8.092 1.00 0.00 C ATOM 1204 C ILE A 80 -2.838 -2.740 9.460 1.00 0.00 C ATOM 1205 O ILE A 80 -3.621 -1.814 9.667 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.719 -2.323 7.002 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.538 -1.379 7.240 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.027 -1.547 6.976 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.121 -0.611 6.005 1.00 0.00 C ATOM 0 H ILE A 80 -4.726 -3.880 7.527 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.854 -4.009 8.033 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.585 -2.805 6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.801 -0.672 8.026 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.688 -1.957 7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.981 -0.782 6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.851 -2.229 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.188 -1.073 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.279 0.038 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.826 -1.311 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.957 -0.006 5.654 1.00 0.00 H new ATOM 1221 N GLY A 81 -2.017 -3.215 10.392 1.00 0.00 N ATOM 1222 CA GLY A 81 -2.005 -2.650 11.728 1.00 0.00 C ATOM 1223 C GLY A 81 -3.154 -3.151 12.580 1.00 0.00 C ATOM 1224 O GLY A 81 -3.173 -4.312 12.988 1.00 0.00 O ATOM 0 H GLY A 81 -1.360 -3.981 10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.061 -2.897 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.054 -1.563 11.660 1.00 0.00 H new ATOM 1228 N ASP A 82 -4.114 -2.273 12.851 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.272 -2.633 13.661 1.00 0.00 C ATOM 1230 C ASP A 82 -6.561 -2.498 12.856 1.00 0.00 C ATOM 1231 O ASP A 82 -7.644 -2.349 13.422 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.341 -1.753 14.910 1.00 0.00 C ATOM 1233 CG ASP A 82 -6.150 -2.390 16.023 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -6.233 -3.636 16.059 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -6.699 -1.643 16.859 1.00 0.00 O ATOM 0 H ASP A 82 -4.113 -1.308 12.522 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.162 -3.674 13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.331 -1.554 15.267 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.782 -0.791 14.649 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.436 -2.549 11.534 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.591 -2.430 10.653 1.00 0.00 C ATOM 1242 C GLN A 83 -7.613 -3.561 9.629 1.00 0.00 C ATOM 1243 O GLN A 83 -6.595 -4.206 9.381 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.576 -1.078 9.936 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.709 0.109 10.876 1.00 0.00 C ATOM 1246 CD GLN A 83 -9.154 0.474 11.154 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -10.005 -0.399 11.326 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.440 1.770 11.199 1.00 0.00 N ATOM 0 H GLN A 83 -5.547 -2.672 11.050 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.491 -2.499 11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.647 -0.984 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.390 -1.051 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.208 -0.120 11.817 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.198 0.969 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.704 2.460 11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.396 2.075 11.382 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.781 -3.795 9.039 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.935 -4.849 8.043 1.00 0.00 C ATOM 1259 C GLU A 84 -9.668 -4.330 6.810 1.00 0.00 C ATOM 1260 O GLU A 84 -10.573 -3.501 6.915 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.694 -6.037 8.639 1.00 0.00 C ATOM 1262 CG GLU A 84 -9.050 -6.604 9.892 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.976 -7.531 10.656 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.917 -8.071 10.037 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.761 -7.715 11.872 1.00 0.00 O ATOM 0 H GLU A 84 -9.633 -3.270 9.233 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.940 -5.177 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.712 -5.726 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.765 -6.825 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.145 -7.146 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.745 -5.784 10.542 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.272 -4.823 5.642 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.889 -4.408 4.387 1.00 0.00 C ATOM 1274 C PHE A 85 -10.257 -5.620 3.536 1.00 0.00 C ATOM 1275 O PHE A 85 -9.953 -6.758 3.892 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.944 -3.491 3.608 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.617 -2.215 4.329 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.456 -1.116 4.234 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.472 -2.114 5.102 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.157 0.060 4.895 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.168 -0.941 5.766 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.013 0.147 5.664 1.00 0.00 C ATOM 0 H PHE A 85 -8.526 -5.511 5.538 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.802 -3.861 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.019 -4.029 3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.396 -3.250 2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.354 -1.179 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.809 -2.962 5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.817 0.910 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.271 -0.875 6.364 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.780 1.064 6.185 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.915 -5.366 2.410 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.325 -6.435 1.506 1.00 0.00 C ATOM 1294 C ASP A 86 -10.120 -7.029 0.784 1.00 0.00 C ATOM 1295 O ASP A 86 -10.102 -8.215 0.455 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.338 -5.909 0.487 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.759 -5.947 1.012 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -14.084 -6.875 1.782 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.548 -5.048 0.652 1.00 0.00 O ATOM 0 H ASP A 86 -11.176 -4.429 2.101 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.793 -7.220 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.080 -4.885 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.274 -6.503 -0.424 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.113 -6.195 0.540 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.903 -6.638 -0.144 1.00 0.00 C ATOM 1306 C HIS A 87 -6.872 -5.515 -0.206 1.00 0.00 C ATOM 1307 O HIS A 87 -7.074 -4.441 0.362 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.237 -7.118 -1.557 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.339 -6.340 -2.209 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.166 -5.068 -2.713 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.633 -6.662 -2.440 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.307 -4.641 -3.223 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.213 -5.589 -3.071 1.00 0.00 N ATOM 0 H HIS A 87 -9.111 -5.210 0.806 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.478 -7.467 0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.342 -7.052 -2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.520 -8.170 -1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.119 -7.590 -2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.471 -3.679 -3.686 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.186 -5.534 -3.373 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.767 -5.771 -0.897 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.703 -4.782 -1.033 1.00 0.00 C ATOM 1324 C LEU A 88 -5.238 -3.486 -1.635 1.00 0.00 C ATOM 1325 O LEU A 88 -5.170 -2.417 -1.028 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.574 -5.334 -1.904 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.406 -5.981 -1.158 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.463 -6.666 -2.135 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.660 -4.943 -0.333 1.00 0.00 C ATOM 0 H LEU A 88 -5.584 -6.655 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.313 -4.566 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.996 -6.071 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.183 -4.521 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.806 -6.736 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.638 -7.121 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.004 -7.438 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.070 -5.931 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.832 -5.421 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.272 -4.165 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.340 -4.498 0.393 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.784 -3.582 -2.856 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.343 -2.427 -3.566 1.00 0.00 C ATOM 1343 C PRO A 89 -7.630 -1.920 -2.923 1.00 0.00 C ATOM 1344 O PRO A 89 -8.324 -1.074 -3.486 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.626 -2.975 -4.967 1.00 0.00 C ATOM 1346 CG PRO A 89 -6.809 -4.441 -4.771 1.00 0.00 C ATOM 1347 CD PRO A 89 -5.898 -4.824 -3.638 1.00 0.00 C ATOM 0 HA PRO A 89 -5.664 -1.574 -3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.517 -2.519 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.801 -2.767 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.847 -4.677 -4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.556 -4.991 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.316 -5.636 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.927 -5.161 -4.000 1.00 0.00 H new ATOM 1355 N ALA A 90 -7.941 -2.441 -1.741 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.143 -2.038 -1.021 1.00 0.00 C ATOM 1357 C ALA A 90 -8.793 -1.209 0.210 1.00 0.00 C ATOM 1358 O ALA A 90 -9.615 -0.436 0.704 1.00 0.00 O ATOM 1359 CB ALA A 90 -9.954 -3.262 -0.621 1.00 0.00 C ATOM 0 H ALA A 90 -7.377 -3.143 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.744 -1.418 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.849 -2.946 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.243 -3.815 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.352 -3.903 0.023 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.570 -1.373 0.701 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.111 -0.640 1.875 1.00 0.00 C ATOM 1367 C LEU A 91 -6.482 0.691 1.474 1.00 0.00 C ATOM 1368 O LEU A 91 -6.697 1.713 2.127 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.102 -1.477 2.662 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.715 -1.623 2.034 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.801 -0.498 2.493 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.113 -2.977 2.379 1.00 0.00 C ATOM 0 H LEU A 91 -6.878 -2.008 0.304 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.976 -0.437 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.986 -1.034 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.520 -2.473 2.806 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.819 -1.560 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.819 -0.618 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.225 0.460 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.703 -0.529 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.126 -3.063 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.023 -3.070 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.758 -3.769 1.999 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.706 0.672 0.396 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.047 1.878 -0.094 1.00 0.00 C ATOM 1386 C LEU A 92 -6.072 2.938 -0.483 1.00 0.00 C ATOM 1387 O LEU A 92 -5.845 4.133 -0.293 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.160 1.545 -1.294 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.151 0.414 -1.091 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.757 -0.196 -2.427 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -1.922 0.922 -0.351 1.00 0.00 C ATOM 0 H LEU A 92 -5.518 -0.165 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.427 2.276 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.803 1.284 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.614 2.445 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.620 -0.361 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.038 -0.999 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.643 -0.597 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.307 0.570 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.215 0.104 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.451 1.716 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.219 1.310 0.623 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.201 2.493 -1.026 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.261 3.404 -1.440 1.00 0.00 C ATOM 1405 C GLU A 93 -8.951 4.022 -0.227 1.00 0.00 C ATOM 1406 O GLU A 93 -9.529 5.106 -0.313 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.287 2.670 -2.305 1.00 0.00 C ATOM 1408 CG GLU A 93 -9.999 1.541 -1.578 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.318 1.169 -2.228 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.199 2.048 -2.325 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.468 -0.001 -2.639 1.00 0.00 O ATOM 0 H GLU A 93 -7.405 1.507 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.809 4.204 -2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.028 3.386 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.786 2.266 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.351 0.665 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.178 1.836 -0.544 1.00 0.00 H new ATOM 1418 N PHE A 94 -8.887 3.325 0.902 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.506 3.804 2.133 1.00 0.00 C ATOM 1420 C PHE A 94 -8.557 4.720 2.899 1.00 0.00 C ATOM 1421 O PHE A 94 -8.973 5.452 3.797 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.917 2.623 3.015 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.932 2.981 4.062 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.246 3.243 3.710 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.573 3.055 5.398 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.183 3.574 4.672 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.505 3.385 6.364 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.812 3.644 6.000 1.00 0.00 C ATOM 0 H PHE A 94 -8.413 2.426 0.991 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.395 4.375 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.322 1.832 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.030 2.219 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.542 3.188 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.553 2.852 5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.204 3.778 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.212 3.440 7.402 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.542 3.901 6.753 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.279 4.673 2.538 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.269 5.495 3.193 1.00 0.00 C ATOM 1440 C TYR A 95 -6.099 6.828 2.470 1.00 0.00 C ATOM 1441 O TYR A 95 -5.642 7.811 3.053 1.00 0.00 O ATOM 1442 CB TYR A 95 -4.932 4.755 3.243 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.749 3.918 4.489 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.001 4.448 5.748 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.324 2.598 4.407 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.835 3.687 6.890 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.156 1.830 5.543 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.413 2.379 6.782 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.246 1.617 7.916 1.00 0.00 O ATOM 0 H TYR A 95 -6.918 4.074 1.795 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.604 5.694 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.850 4.111 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.122 5.481 3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.332 5.472 5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.121 2.165 3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.035 4.115 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.825 0.805 5.461 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.872 1.918 8.608 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.471 6.852 1.194 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.363 8.063 0.389 1.00 0.00 C ATOM 1461 C LYS A 96 -7.035 9.242 1.085 1.00 0.00 C ATOM 1462 O LYS A 96 -6.732 10.400 0.796 1.00 0.00 O ATOM 1463 CB LYS A 96 -6.994 7.842 -0.988 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.159 6.966 -1.906 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.012 6.318 -2.984 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.093 7.189 -4.229 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.141 8.239 -4.103 1.00 0.00 N ATOM 0 H LYS A 96 -6.850 6.047 0.696 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.305 8.293 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.976 7.387 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.151 8.809 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.377 7.566 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.662 6.193 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.594 5.346 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.015 6.140 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.126 7.660 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.307 6.564 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.641 8.341 -5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.818 7.966 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.697 9.144 -3.850 1.00 0.00 H new ATOM 1481 N ILE A 97 -7.948 8.939 2.002 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.660 9.975 2.740 1.00 0.00 C ATOM 1483 C ILE A 97 -8.210 10.020 4.196 1.00 0.00 C ATOM 1484 O ILE A 97 -8.175 11.085 4.814 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.184 9.753 2.693 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.549 8.429 3.367 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.677 9.774 1.254 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.036 8.251 3.583 1.00 0.00 C ATOM 0 H ILE A 97 -8.212 7.986 2.251 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.424 10.924 2.259 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.672 10.562 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.177 7.606 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.040 8.368 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.755 9.616 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.444 10.739 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.185 8.982 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.221 7.291 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.410 9.054 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.549 8.280 2.622 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.863 8.858 4.740 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.411 8.765 6.123 1.00 0.00 C ATOM 1502 C HIS A 98 -5.903 8.979 6.218 1.00 0.00 C ATOM 1503 O HIS A 98 -5.143 8.491 5.382 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.783 7.404 6.713 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.251 7.237 6.956 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.246 8.152 7.028 1.00 0.00 N flip ATOM 1507 CD2 HIS A 98 -9.846 6.010 7.159 1.00 0.00 C flip ATOM 1508 CE1 HIS A 98 -11.412 7.468 7.270 1.00 0.00 C flip ATOM 1509 NE2 HIS A 98 -11.143 6.177 7.345 1.00 0.00 N flip ATOM 0 H HIS A 98 -7.886 7.967 4.244 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.908 9.549 6.695 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.444 6.619 6.037 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.250 7.267 7.654 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.332 5.060 7.165 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.390 7.913 7.381 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.821 5.435 7.517 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.478 9.713 7.241 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.062 9.995 7.443 1.00 0.00 C ATOM 1520 C TYR A 99 -3.429 8.963 8.372 1.00 0.00 C ATOM 1521 O TYR A 99 -3.762 8.888 9.555 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.877 11.399 8.021 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.503 12.487 7.179 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.884 12.611 7.083 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.715 13.391 6.478 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.461 13.603 6.314 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.283 14.388 5.708 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.656 14.489 5.629 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.226 15.480 4.862 1.00 0.00 O ATOM 0 H TYR A 99 -6.094 10.123 7.943 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.565 9.940 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.309 11.431 9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.811 11.601 8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.517 11.920 7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.639 13.313 6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.536 13.684 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.655 15.084 5.171 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.521 16.019 4.447 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.513 8.170 7.827 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.831 7.141 8.605 1.00 0.00 C ATOM 1541 C LEU A 100 -1.268 7.722 9.898 1.00 0.00 C ATOM 1542 O LEU A 100 -1.748 7.414 10.989 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.705 6.514 7.781 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.088 6.019 6.387 1.00 0.00 C ATOM 1545 CD1 LEU A 100 0.104 6.096 5.446 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.626 4.597 6.454 1.00 0.00 C ATOM 0 H LEU A 100 -2.225 8.220 6.850 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.558 6.370 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.094 7.248 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.295 5.675 8.343 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.874 6.665 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.188 5.739 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.444 7.129 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.913 5.475 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.893 4.262 5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.862 3.938 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.509 4.572 7.093 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.249 8.564 9.769 1.00 0.00 N ATOM 1559 CA ASP A 101 0.378 9.190 10.927 1.00 0.00 C ATOM 1560 C ASP A 101 0.308 10.711 10.827 1.00 0.00 C ATOM 1561 O ASP A 101 -0.303 11.373 11.666 1.00 0.00 O ATOM 1562 CB ASP A 101 1.834 8.741 11.051 1.00 0.00 C ATOM 1563 CG ASP A 101 2.308 8.703 12.491 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.797 7.864 13.261 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.189 9.513 12.848 1.00 0.00 O ATOM 0 H ASP A 101 0.161 8.829 8.873 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.167 8.877 11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.945 7.751 10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.470 9.418 10.480 1.00 0.00 H new ATOM 1570 N THR A 102 0.941 11.260 9.794 1.00 0.00 N ATOM 1571 CA THR A 102 0.953 12.702 9.584 1.00 0.00 C ATOM 1572 C THR A 102 0.536 13.054 8.161 1.00 0.00 C ATOM 1573 O THR A 102 0.354 14.226 7.828 1.00 0.00 O ATOM 1574 CB THR A 102 2.346 13.298 9.861 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.271 14.728 9.885 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.345 12.855 8.803 1.00 0.00 C ATOM 0 H THR A 102 1.452 10.727 9.090 1.00 0.00 H new ATOM 0 HA THR A 102 0.237 13.130 10.286 1.00 0.00 H new ATOM 0 HB THR A 102 2.685 12.936 10.832 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.632 15.033 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.321 13.289 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.422 11.768 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.009 13.191 7.822 1.00 0.00 H new ATOM 1584 N THR A 103 0.385 12.033 7.323 1.00 0.00 N ATOM 1585 CA THR A 103 -0.010 12.235 5.935 1.00 0.00 C ATOM 1586 C THR A 103 -0.827 11.056 5.419 1.00 0.00 C ATOM 1587 O THR A 103 -1.062 10.086 6.141 1.00 0.00 O ATOM 1588 CB THR A 103 1.216 12.434 5.025 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.821 13.060 3.799 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.889 11.102 4.726 1.00 0.00 C ATOM 0 H THR A 103 0.531 11.057 7.582 1.00 0.00 H new ATOM 0 HA THR A 103 -0.622 13.137 5.908 1.00 0.00 H new ATOM 0 HB THR A 103 1.927 13.075 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.607 13.184 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.752 11.267 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.215 10.642 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.182 10.442 4.223 1.00 0.00 H new ATOM 1598 N THR A 104 -1.257 11.144 4.164 1.00 0.00 N ATOM 1599 CA THR A 104 -2.048 10.085 3.551 1.00 0.00 C ATOM 1600 C THR A 104 -1.376 9.556 2.289 1.00 0.00 C ATOM 1601 O THR A 104 -0.298 10.016 1.909 1.00 0.00 O ATOM 1602 CB THR A 104 -3.465 10.575 3.197 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.408 11.480 2.090 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.113 11.263 4.389 1.00 0.00 C ATOM 0 H THR A 104 -1.070 11.939 3.552 1.00 0.00 H new ATOM 0 HA THR A 104 -2.122 9.282 4.284 1.00 0.00 H new ATOM 0 HB THR A 104 -4.068 9.708 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.313 11.785 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.113 11.600 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.182 10.562 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.509 12.121 4.687 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.018 8.590 1.643 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.481 7.999 0.422 1.00 0.00 C ATOM 1614 C LEU A 105 -1.894 8.809 -0.802 1.00 0.00 C ATOM 1615 O LEU A 105 -3.061 8.809 -1.194 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.963 6.554 0.277 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.530 5.588 1.381 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.171 4.224 1.178 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.014 5.467 1.420 1.00 0.00 C ATOM 0 H LEU A 105 -2.911 8.199 1.944 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.393 8.008 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.052 6.558 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.606 6.167 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.867 5.986 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.851 3.550 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.256 4.325 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.866 3.818 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.276 4.776 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.346 5.093 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.424 6.446 1.615 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.928 9.497 -1.403 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.191 10.309 -2.584 1.00 0.00 C ATOM 1633 C ILE A 106 -1.062 9.483 -3.859 1.00 0.00 C ATOM 1634 O ILE A 106 -2.056 9.180 -4.518 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.232 11.511 -2.666 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.310 12.342 -1.383 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.560 12.369 -3.879 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.622 13.076 -1.217 1.00 0.00 C ATOM 0 H ILE A 106 0.043 9.508 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.213 10.676 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 106 0.786 11.137 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.159 11.686 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.505 13.066 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.127 13.214 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.459 11.772 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.583 12.736 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.606 13.644 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.766 13.757 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.440 12.357 -1.189 1.00 0.00 H new ATOM 1650 N GLU A 107 0.171 9.119 -4.200 1.00 0.00 N ATOM 1651 CA GLU A 107 0.430 8.326 -5.396 1.00 0.00 C ATOM 1652 C GLU A 107 1.615 7.390 -5.182 1.00 0.00 C ATOM 1653 O GLU A 107 2.557 7.697 -4.451 1.00 0.00 O ATOM 1654 CB GLU A 107 0.697 9.240 -6.593 1.00 0.00 C ATOM 1655 CG GLU A 107 1.893 10.159 -6.402 1.00 0.00 C ATOM 1656 CD GLU A 107 2.123 11.071 -7.591 1.00 0.00 C ATOM 1657 OE1 GLU A 107 1.256 11.930 -7.856 1.00 0.00 O ATOM 1658 OE2 GLU A 107 3.170 10.926 -8.257 1.00 0.00 O ATOM 0 H GLU A 107 1.005 9.361 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.455 7.723 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.859 8.626 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.189 9.846 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.742 10.764 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.786 9.557 -6.232 1.00 0.00 H new ATOM 1665 N PRO A 108 1.569 6.218 -5.834 1.00 0.00 N ATOM 1666 CA PRO A 108 2.631 5.213 -5.731 1.00 0.00 C ATOM 1667 C PRO A 108 3.918 5.656 -6.418 1.00 0.00 C ATOM 1668 O PRO A 108 3.883 6.329 -7.448 1.00 0.00 O ATOM 1669 CB PRO A 108 2.037 3.995 -6.443 1.00 0.00 C ATOM 1670 CG PRO A 108 1.038 4.562 -7.392 1.00 0.00 C ATOM 1671 CD PRO A 108 0.477 5.786 -6.722 1.00 0.00 C ATOM 0 HA PRO A 108 2.913 5.023 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.806 3.429 -6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.567 3.312 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.505 4.817 -8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.251 3.840 -7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.219 6.558 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.430 5.558 -6.162 1.00 0.00 H new ATOM 1679 N ALA A 109 5.053 5.275 -5.842 1.00 0.00 N ATOM 1680 CA ALA A 109 6.351 5.632 -6.401 1.00 0.00 C ATOM 1681 C ALA A 109 6.395 5.363 -7.901 1.00 0.00 C ATOM 1682 O ALA A 109 5.589 4.608 -8.445 1.00 0.00 O ATOM 1683 CB ALA A 109 7.459 4.866 -5.693 1.00 0.00 C ATOM 0 H ALA A 109 5.100 4.719 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 109 6.505 6.700 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.423 5.142 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.449 5.111 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.299 3.795 -5.820 1.00 0.00 H new ATOM 1689 N PRO A 110 7.358 5.995 -8.588 1.00 0.00 N ATOM 1690 CA PRO A 110 7.530 5.839 -10.036 1.00 0.00 C ATOM 1691 C PRO A 110 8.036 4.451 -10.414 1.00 0.00 C ATOM 1692 O PRO A 110 8.775 3.822 -9.656 1.00 0.00 O ATOM 1693 CB PRO A 110 8.575 6.902 -10.385 1.00 0.00 C ATOM 1694 CG PRO A 110 9.339 7.112 -9.123 1.00 0.00 C ATOM 1695 CD PRO A 110 8.354 6.910 -8.005 1.00 0.00 C ATOM 0 HA PRO A 110 6.588 5.954 -10.573 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.227 6.566 -11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.103 7.826 -10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.167 6.407 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.769 8.113 -9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.829 6.478 -7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.901 7.851 -7.694 1.00 0.00 H new