USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 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 66 SER OG : rot -131:sc= 0.421 USER MOD Set 1.2: A 68 TYR OH : rot 89:sc= -1.1! USER MOD Set 2.1: A 58 SER OG : rot -89:sc= 0.815 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.485 K(o=1.3,f=-0.58) USER MOD Set 3.1: A 22 TYR OH : rot 35:sc= 0.0245 USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 3:sc= 1.29 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -22:sc= 0.728 USER MOD Single : A 23 MET CE :methyl -155:sc= -0.0193 (180deg=-0.226) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0793 K(o=-0.079,f=-2!) USER MOD Single : A 32 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.039) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.884 K(o=-0.88,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.2!) USER MOD Single : A 40 HIS : no HE2:sc= -0.0143 X(o=-0.014,f=-0.31) USER MOD Single : A 42 MET CE :methyl -116:sc= -2.74! (180deg=-2.96!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -141:sc= 0.265 USER MOD Single : A 62 ASN : amide:sc= -5! K(o=-5!,f=-1.6) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.268 K(o=-0.27,f=-4.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.58) USER MOD Single : A 87 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -119:sc= -0.749 (180deg=-3.46!) USER MOD Single : A 98 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.42) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -37:sc= 0.362 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.308 12.869 -4.006 1.00 0.00 N ATOM 106 CA ALA A 11 -4.340 11.419 -4.157 1.00 0.00 C ATOM 107 C ALA A 11 -5.034 11.017 -5.454 1.00 0.00 C ATOM 108 O ALA A 11 -6.263 10.988 -5.528 1.00 0.00 O ATOM 109 CB ALA A 11 -5.037 10.781 -2.964 1.00 0.00 C ATOM 0 HA ALA A 11 -3.312 11.060 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.054 9.698 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.498 11.032 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.059 11.155 -2.897 1.00 0.00 H new ATOM 115 N ARG A 12 -4.239 10.710 -6.474 1.00 0.00 N ATOM 116 CA ARG A 12 -4.778 10.312 -7.769 1.00 0.00 C ATOM 117 C ARG A 12 -3.948 9.186 -8.380 1.00 0.00 C ATOM 118 O ARG A 12 -2.835 9.409 -8.855 1.00 0.00 O ATOM 119 CB ARG A 12 -4.812 11.509 -8.721 1.00 0.00 C ATOM 120 CG ARG A 12 -5.476 11.208 -10.054 1.00 0.00 C ATOM 121 CD ARG A 12 -6.971 11.481 -10.007 1.00 0.00 C ATOM 122 NE ARG A 12 -7.536 11.666 -11.341 1.00 0.00 N ATOM 123 CZ ARG A 12 -7.819 10.664 -12.165 1.00 0.00 C ATOM 124 NH1 ARG A 12 -7.591 9.412 -11.794 1.00 0.00 N ATOM 125 NH2 ARG A 12 -8.332 10.913 -13.363 1.00 0.00 N ATOM 0 H ARG A 12 -3.220 10.729 -6.429 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.794 9.950 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.341 12.331 -8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.792 11.848 -8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.019 11.816 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.304 10.165 -10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.476 10.651 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.158 12.372 -9.407 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.724 12.617 -11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.197 9.216 -10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.809 8.644 -12.429 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.509 11.875 -13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.549 10.142 -13.995 1.00 0.00 H new ATOM 139 N PHE A 13 -4.498 7.976 -8.363 1.00 0.00 N ATOM 140 CA PHE A 13 -3.809 6.815 -8.914 1.00 0.00 C ATOM 141 C PHE A 13 -4.751 5.619 -9.010 1.00 0.00 C ATOM 142 O PHE A 13 -5.893 5.676 -8.554 1.00 0.00 O ATOM 143 CB PHE A 13 -2.599 6.457 -8.049 1.00 0.00 C ATOM 144 CG PHE A 13 -2.961 6.050 -6.650 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.246 7.005 -5.688 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.017 4.711 -6.296 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.578 6.633 -4.399 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.350 4.333 -5.009 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.632 5.295 -4.059 1.00 0.00 C ATOM 0 H PHE A 13 -5.419 7.774 -7.974 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.468 7.068 -9.918 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.050 5.644 -8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.926 7.314 -8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.208 8.053 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.798 3.954 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.795 7.388 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.390 3.286 -4.746 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.894 5.002 -3.053 1.00 0.00 H new ATOM 159 N ASP A 14 -4.264 4.537 -9.609 1.00 0.00 N ATOM 160 CA ASP A 14 -5.062 3.326 -9.766 1.00 0.00 C ATOM 161 C ASP A 14 -4.669 2.279 -8.728 1.00 0.00 C ATOM 162 O ASP A 14 -3.825 1.420 -8.987 1.00 0.00 O ATOM 163 CB ASP A 14 -4.890 2.756 -11.174 1.00 0.00 C ATOM 164 CG ASP A 14 -5.890 1.659 -11.481 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.908 1.566 -10.762 1.00 0.00 O ATOM 166 OD2 ASP A 14 -5.657 0.895 -12.440 1.00 0.00 O ATOM 0 H ASP A 14 -3.321 4.474 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.109 3.587 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.000 3.558 -11.903 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.879 2.363 -11.283 1.00 0.00 H new ATOM 171 N SER A 15 -5.285 2.357 -7.553 1.00 0.00 N ATOM 172 CA SER A 15 -4.997 1.418 -6.475 1.00 0.00 C ATOM 173 C SER A 15 -5.081 -0.022 -6.971 1.00 0.00 C ATOM 174 O SER A 15 -4.564 -0.940 -6.335 1.00 0.00 O ATOM 175 CB SER A 15 -5.971 1.628 -5.314 1.00 0.00 C ATOM 176 OG SER A 15 -5.845 2.931 -4.771 1.00 0.00 O ATOM 0 H SER A 15 -5.987 3.061 -7.323 1.00 0.00 H new ATOM 0 HA SER A 15 -3.981 1.604 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.993 1.472 -5.660 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.781 0.887 -4.537 1.00 0.00 H new ATOM 0 HG SER A 15 -5.182 3.437 -5.286 1.00 0.00 H new ATOM 182 N SER A 16 -5.736 -0.211 -8.112 1.00 0.00 N ATOM 183 CA SER A 16 -5.892 -1.539 -8.693 1.00 0.00 C ATOM 184 C SER A 16 -4.639 -1.947 -9.460 1.00 0.00 C ATOM 185 O SER A 16 -4.188 -3.090 -9.373 1.00 0.00 O ATOM 186 CB SER A 16 -7.107 -1.573 -9.622 1.00 0.00 C ATOM 187 OG SER A 16 -7.498 -2.906 -9.902 1.00 0.00 O ATOM 0 H SER A 16 -6.167 0.539 -8.652 1.00 0.00 H new ATOM 0 HA SER A 16 -6.046 -2.248 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.936 -1.037 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.872 -1.057 -10.553 1.00 0.00 H new ATOM 0 HG SER A 16 -8.277 -2.900 -10.496 1.00 0.00 H new ATOM 193 N ASP A 17 -4.080 -1.005 -10.212 1.00 0.00 N ATOM 194 CA ASP A 17 -2.878 -1.265 -10.995 1.00 0.00 C ATOM 195 C ASP A 17 -1.729 -1.709 -10.096 1.00 0.00 C ATOM 196 O ASP A 17 -0.949 -0.886 -9.616 1.00 0.00 O ATOM 197 CB ASP A 17 -2.474 -0.015 -11.779 1.00 0.00 C ATOM 198 CG ASP A 17 -1.269 -0.253 -12.667 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.254 -0.777 -12.162 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.340 0.085 -13.867 1.00 0.00 O ATOM 0 H ASP A 17 -4.440 -0.054 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.099 -2.070 -11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.314 0.313 -12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.253 0.793 -11.081 1.00 0.00 H new ATOM 205 N ARG A 18 -1.631 -3.015 -9.870 1.00 0.00 N ATOM 206 CA ARG A 18 -0.579 -3.568 -9.026 1.00 0.00 C ATOM 207 C ARG A 18 0.800 -3.174 -9.547 1.00 0.00 C ATOM 208 O ARG A 18 1.714 -2.901 -8.769 1.00 0.00 O ATOM 209 CB ARG A 18 -0.696 -5.092 -8.962 1.00 0.00 C ATOM 210 CG ARG A 18 -1.549 -5.590 -7.807 1.00 0.00 C ATOM 211 CD ARG A 18 -2.242 -6.899 -8.151 1.00 0.00 C ATOM 212 NE ARG A 18 -3.480 -6.685 -8.896 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.356 -7.648 -9.158 1.00 0.00 C ATOM 214 NH1 ARG A 18 -4.132 -8.885 -8.738 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.459 -7.374 -9.843 1.00 0.00 N ATOM 0 H ARG A 18 -2.268 -3.710 -10.260 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.700 -3.159 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.120 -5.455 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.302 -5.521 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.924 -5.729 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.296 -4.837 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.568 -7.522 -8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.461 -7.445 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.683 -5.744 -9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.285 -9.099 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.807 -9.623 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.634 -6.423 -10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.132 -8.114 -10.044 1.00 0.00 H new ATOM 229 N SER A 19 0.942 -3.147 -10.869 1.00 0.00 N ATOM 230 CA SER A 19 2.210 -2.791 -11.494 1.00 0.00 C ATOM 231 C SER A 19 2.519 -1.311 -11.290 1.00 0.00 C ATOM 232 O SER A 19 3.547 -0.812 -11.748 1.00 0.00 O ATOM 233 CB SER A 19 2.174 -3.114 -12.989 1.00 0.00 C ATOM 234 OG SER A 19 3.407 -2.795 -13.610 1.00 0.00 O ATOM 0 H SER A 19 0.195 -3.367 -11.527 1.00 0.00 H new ATOM 0 HA SER A 19 2.998 -3.378 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.955 -4.172 -13.130 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.368 -2.556 -13.465 1.00 0.00 H new ATOM 0 HG SER A 19 3.886 -2.136 -13.066 1.00 0.00 H new ATOM 240 N ALA A 20 1.623 -0.615 -10.598 1.00 0.00 N ATOM 241 CA ALA A 20 1.800 0.807 -10.331 1.00 0.00 C ATOM 242 C ALA A 20 2.123 1.053 -8.861 1.00 0.00 C ATOM 243 O ALA A 20 2.753 2.051 -8.513 1.00 0.00 O ATOM 244 CB ALA A 20 0.553 1.579 -10.735 1.00 0.00 C ATOM 0 H ALA A 20 0.767 -1.013 -10.212 1.00 0.00 H new ATOM 0 HA ALA A 20 2.642 1.161 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.699 2.640 -10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.366 1.438 -11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.302 1.214 -10.165 1.00 0.00 H new ATOM 250 N TRP A 21 1.688 0.137 -8.003 1.00 0.00 N ATOM 251 CA TRP A 21 1.930 0.255 -6.570 1.00 0.00 C ATOM 252 C TRP A 21 2.517 -1.035 -6.009 1.00 0.00 C ATOM 253 O TRP A 21 3.467 -1.007 -5.226 1.00 0.00 O ATOM 254 CB TRP A 21 0.632 0.600 -5.839 1.00 0.00 C ATOM 255 CG TRP A 21 -0.533 -0.239 -6.270 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.398 0.025 -7.294 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.962 -1.475 -5.689 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.338 -0.973 -7.384 1.00 0.00 N ATOM 259 CE2 TRP A 21 -2.092 -1.905 -6.411 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.500 -2.261 -4.630 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.765 -3.085 -6.106 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -1.170 -3.431 -4.328 1.00 0.00 C ATOM 263 CH2 TRP A 21 -2.291 -3.835 -5.064 1.00 0.00 C ATOM 0 H TRP A 21 1.166 -0.696 -8.275 1.00 0.00 H new ATOM 0 HA TRP A 21 2.651 1.058 -6.414 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.783 0.476 -4.767 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.396 1.651 -6.008 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.350 0.891 -7.938 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.096 -1.013 -8.065 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.365 -1.959 -4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.630 -3.397 -6.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.823 -4.045 -3.510 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.791 -4.756 -4.804 1.00 0.00 H new ATOM 274 N TYR A 22 1.947 -2.165 -6.413 1.00 0.00 N ATOM 275 CA TYR A 22 2.413 -3.466 -5.948 1.00 0.00 C ATOM 276 C TYR A 22 3.792 -3.785 -6.517 1.00 0.00 C ATOM 277 O TYR A 22 3.916 -4.252 -7.649 1.00 0.00 O ATOM 278 CB TYR A 22 1.420 -4.559 -6.346 1.00 0.00 C ATOM 279 CG TYR A 22 1.856 -5.949 -5.942 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.397 -6.191 -4.686 1.00 0.00 C ATOM 281 CD2 TYR A 22 1.725 -7.020 -6.817 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.798 -7.460 -4.313 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.121 -8.293 -6.452 1.00 0.00 C ATOM 284 CZ TYR A 22 2.657 -8.507 -5.200 1.00 0.00 C ATOM 285 OH TYR A 22 3.054 -9.773 -4.832 1.00 0.00 O ATOM 0 H TYR A 22 1.161 -2.206 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 22 2.487 -3.430 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.454 -4.344 -5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.276 -4.532 -7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.506 -5.374 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.307 -6.855 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.219 -7.631 -3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.011 -9.115 -7.144 1.00 0.00 H new ATOM 0 HH TYR A 22 2.885 -9.904 -3.875 1.00 0.00 H new ATOM 295 N MET A 23 4.826 -3.531 -5.722 1.00 0.00 N ATOM 296 CA MET A 23 6.197 -3.793 -6.144 1.00 0.00 C ATOM 297 C MET A 23 6.690 -5.127 -5.594 1.00 0.00 C ATOM 298 O MET A 23 7.864 -5.276 -5.257 1.00 0.00 O ATOM 299 CB MET A 23 7.121 -2.665 -5.680 1.00 0.00 C ATOM 300 CG MET A 23 6.516 -1.279 -5.840 1.00 0.00 C ATOM 301 SD MET A 23 7.765 0.007 -6.030 1.00 0.00 S ATOM 302 CE MET A 23 6.764 1.366 -6.628 1.00 0.00 C ATOM 0 H MET A 23 4.741 -3.144 -4.782 1.00 0.00 H new ATOM 0 HA MET A 23 6.212 -3.841 -7.233 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.375 -2.823 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.052 -2.714 -6.245 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.858 -1.272 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.898 -1.054 -4.971 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.388 2.054 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.971 0.980 -7.268 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.323 1.893 -5.782 1.00 0.00 H new ATOM 312 N GLY A 24 5.784 -6.097 -5.506 1.00 0.00 N ATOM 313 CA GLY A 24 6.146 -7.406 -4.996 1.00 0.00 C ATOM 314 C GLY A 24 7.640 -7.658 -5.052 1.00 0.00 C ATOM 315 O GLY A 24 8.321 -7.714 -4.028 1.00 0.00 O ATOM 0 H GLY A 24 4.806 -5.999 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.804 -7.498 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.630 -8.173 -5.573 1.00 0.00 H new ATOM 319 N PRO A 25 8.172 -7.815 -6.273 1.00 0.00 N ATOM 320 CA PRO A 25 9.601 -8.065 -6.488 1.00 0.00 C ATOM 321 C PRO A 25 10.458 -6.847 -6.164 1.00 0.00 C ATOM 322 O PRO A 25 10.987 -6.191 -7.061 1.00 0.00 O ATOM 323 CB PRO A 25 9.682 -8.395 -7.981 1.00 0.00 C ATOM 324 CG PRO A 25 8.501 -7.717 -8.584 1.00 0.00 C ATOM 325 CD PRO A 25 7.421 -7.759 -7.538 1.00 0.00 C ATOM 0 HA PRO A 25 9.978 -8.857 -5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.612 -8.031 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.650 -9.471 -8.151 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.739 -6.689 -8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.182 -8.224 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.781 -6.878 -7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.776 -8.629 -7.661 1.00 0.00 H new ATOM 333 N VAL A 26 10.592 -6.548 -4.875 1.00 0.00 N ATOM 334 CA VAL A 26 11.387 -5.409 -4.433 1.00 0.00 C ATOM 335 C VAL A 26 12.047 -5.689 -3.087 1.00 0.00 C ATOM 336 O VAL A 26 11.454 -6.321 -2.213 1.00 0.00 O ATOM 337 CB VAL A 26 10.527 -4.137 -4.315 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.206 -3.114 -3.417 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.252 -3.551 -5.692 1.00 0.00 C ATOM 0 H VAL A 26 10.160 -7.079 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 26 12.158 -5.249 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 26 9.573 -4.405 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.583 -2.222 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.347 -3.539 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.175 -2.847 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.643 -2.653 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.196 -3.297 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.720 -4.283 -6.299 1.00 0.00 H new ATOM 349 N SER A 27 13.278 -5.215 -2.929 1.00 0.00 N ATOM 350 CA SER A 27 14.021 -5.417 -1.690 1.00 0.00 C ATOM 351 C SER A 27 13.827 -4.237 -0.742 1.00 0.00 C ATOM 352 O SER A 27 13.555 -3.117 -1.174 1.00 0.00 O ATOM 353 CB SER A 27 15.510 -5.606 -1.989 1.00 0.00 C ATOM 354 OG SER A 27 15.753 -6.866 -2.590 1.00 0.00 O ATOM 0 H SER A 27 13.782 -4.689 -3.643 1.00 0.00 H new ATOM 0 HA SER A 27 13.637 -6.316 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.855 -4.811 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.083 -5.523 -1.065 1.00 0.00 H new ATOM 0 HG SER A 27 16.711 -6.962 -2.773 1.00 0.00 H new ATOM 360 N ARG A 28 13.970 -4.499 0.554 1.00 0.00 N ATOM 361 CA ARG A 28 13.809 -3.460 1.564 1.00 0.00 C ATOM 362 C ARG A 28 14.688 -2.253 1.248 1.00 0.00 C ATOM 363 O ARG A 28 14.200 -1.127 1.156 1.00 0.00 O ATOM 364 CB ARG A 28 14.158 -4.009 2.949 1.00 0.00 C ATOM 365 CG ARG A 28 13.658 -3.140 4.092 1.00 0.00 C ATOM 366 CD ARG A 28 14.046 -3.720 5.443 1.00 0.00 C ATOM 367 NE ARG A 28 13.421 -5.018 5.682 1.00 0.00 N ATOM 368 CZ ARG A 28 13.672 -5.770 6.748 1.00 0.00 C ATOM 369 NH1 ARG A 28 14.531 -5.354 7.669 1.00 0.00 N ATOM 370 NH2 ARG A 28 13.064 -6.940 6.894 1.00 0.00 N ATOM 0 H ARG A 28 14.197 -5.420 0.928 1.00 0.00 H new ATOM 0 HA ARG A 28 12.767 -3.140 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.735 -5.008 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.240 -4.111 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.070 -2.136 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.574 -3.047 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.130 -3.825 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.755 -3.027 6.232 1.00 0.00 H new ATOM 0 HE ARG A 28 12.755 -5.366 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.000 -4.455 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.722 -5.933 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.403 -7.263 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.257 -7.517 7.713 1.00 0.00 H new ATOM 384 N GLN A 29 15.984 -2.498 1.084 1.00 0.00 N ATOM 385 CA GLN A 29 16.929 -1.430 0.779 1.00 0.00 C ATOM 386 C GLN A 29 16.442 -0.591 -0.397 1.00 0.00 C ATOM 387 O GLN A 29 16.539 0.636 -0.378 1.00 0.00 O ATOM 388 CB GLN A 29 18.308 -2.015 0.468 1.00 0.00 C ATOM 389 CG GLN A 29 18.849 -2.916 1.566 1.00 0.00 C ATOM 390 CD GLN A 29 19.601 -2.148 2.634 1.00 0.00 C ATOM 391 OE1 GLN A 29 19.850 -0.950 2.494 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.967 -2.834 3.711 1.00 0.00 N ATOM 0 H GLN A 29 16.403 -3.425 1.157 1.00 0.00 H new ATOM 0 HA GLN A 29 17.005 -0.785 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.252 -2.582 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.010 -1.198 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.022 -3.457 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.511 -3.661 1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.740 -3.826 3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.475 -2.369 4.463 1.00 0.00 H new ATOM 401 N GLU A 30 15.919 -1.261 -1.419 1.00 0.00 N ATOM 402 CA GLU A 30 15.418 -0.575 -2.605 1.00 0.00 C ATOM 403 C GLU A 30 14.221 0.306 -2.259 1.00 0.00 C ATOM 404 O GLU A 30 14.282 1.529 -2.376 1.00 0.00 O ATOM 405 CB GLU A 30 15.024 -1.590 -3.680 1.00 0.00 C ATOM 406 CG GLU A 30 14.820 -0.973 -5.054 1.00 0.00 C ATOM 407 CD GLU A 30 15.090 -1.954 -6.179 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.224 -2.471 -6.256 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.167 -2.203 -6.983 1.00 0.00 O ATOM 0 H GLU A 30 15.831 -2.277 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 30 16.216 0.060 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.797 -2.355 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.105 -2.091 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.797 -0.605 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.478 -0.111 -5.163 1.00 0.00 H new ATOM 416 N ALA A 31 13.132 -0.327 -1.834 1.00 0.00 N ATOM 417 CA ALA A 31 11.921 0.398 -1.469 1.00 0.00 C ATOM 418 C ALA A 31 12.257 1.724 -0.794 1.00 0.00 C ATOM 419 O ALA A 31 11.569 2.724 -0.994 1.00 0.00 O ATOM 420 CB ALA A 31 11.049 -0.454 -0.559 1.00 0.00 C ATOM 0 H ALA A 31 13.064 -1.340 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 31 11.368 0.615 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.148 0.100 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.771 -1.372 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.602 -0.701 0.347 1.00 0.00 H new ATOM 426 N GLN A 32 13.317 1.722 0.008 1.00 0.00 N ATOM 427 CA GLN A 32 13.742 2.925 0.714 1.00 0.00 C ATOM 428 C GLN A 32 14.214 3.993 -0.267 1.00 0.00 C ATOM 429 O GLN A 32 13.734 5.127 -0.245 1.00 0.00 O ATOM 430 CB GLN A 32 14.861 2.593 1.702 1.00 0.00 C ATOM 431 CG GLN A 32 14.358 2.058 3.034 1.00 0.00 C ATOM 432 CD GLN A 32 15.279 2.405 4.187 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.742 1.524 4.913 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.549 3.693 4.362 1.00 0.00 N ATOM 0 H GLN A 32 13.897 0.902 0.185 1.00 0.00 H new ATOM 0 HA GLN A 32 12.886 3.315 1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.525 1.856 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.454 3.490 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.365 2.463 3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 32 14.254 0.975 2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.143 4.389 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.162 3.987 5.122 1.00 0.00 H new ATOM 443 N THR A 33 15.159 3.625 -1.127 1.00 0.00 N ATOM 444 CA THR A 33 15.697 4.552 -2.114 1.00 0.00 C ATOM 445 C THR A 33 14.592 5.115 -3.000 1.00 0.00 C ATOM 446 O THR A 33 14.736 6.192 -3.579 1.00 0.00 O ATOM 447 CB THR A 33 16.756 3.873 -3.003 1.00 0.00 C ATOM 448 OG1 THR A 33 17.572 4.864 -3.637 1.00 0.00 O ATOM 449 CG2 THR A 33 16.096 3.000 -4.060 1.00 0.00 C ATOM 0 H THR A 33 15.567 2.691 -1.159 1.00 0.00 H new ATOM 0 HA THR A 33 16.165 5.366 -1.561 1.00 0.00 H new ATOM 0 HB THR A 33 17.379 3.241 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.244 4.424 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.864 2.531 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.499 2.228 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.452 3.614 -4.689 1.00 0.00 H new ATOM 457 N ARG A 34 13.488 4.381 -3.100 1.00 0.00 N ATOM 458 CA ARG A 34 12.358 4.808 -3.916 1.00 0.00 C ATOM 459 C ARG A 34 11.499 5.823 -3.166 1.00 0.00 C ATOM 460 O ARG A 34 10.933 6.737 -3.767 1.00 0.00 O ATOM 461 CB ARG A 34 11.507 3.602 -4.317 1.00 0.00 C ATOM 462 CG ARG A 34 12.318 2.341 -4.567 1.00 0.00 C ATOM 463 CD ARG A 34 11.585 1.381 -5.492 1.00 0.00 C ATOM 464 NE ARG A 34 11.810 1.698 -6.899 1.00 0.00 N ATOM 465 CZ ARG A 34 10.993 2.455 -7.622 1.00 0.00 C ATOM 466 NH1 ARG A 34 9.903 2.972 -7.073 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.266 2.698 -8.898 1.00 0.00 N ATOM 0 H ARG A 34 13.352 3.488 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 34 12.750 5.283 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.778 3.405 -3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.946 3.848 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.280 2.607 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.526 1.846 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.916 0.362 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.517 1.417 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 34 12.641 1.317 -7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.690 2.789 -6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.277 3.553 -7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.104 2.303 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.638 3.280 -9.452 1.00 0.00 H new ATOM 481 N LEU A 35 11.407 5.656 -1.852 1.00 0.00 N ATOM 482 CA LEU A 35 10.617 6.557 -1.020 1.00 0.00 C ATOM 483 C LEU A 35 11.513 7.353 -0.077 1.00 0.00 C ATOM 484 O LEU A 35 11.042 7.923 0.908 1.00 0.00 O ATOM 485 CB LEU A 35 9.585 5.765 -0.214 1.00 0.00 C ATOM 486 CG LEU A 35 8.673 4.839 -1.019 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.074 3.767 -0.121 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.573 5.636 -1.705 1.00 0.00 C ATOM 0 H LEU A 35 11.869 4.905 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 35 10.098 7.256 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.114 5.166 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.961 6.471 0.333 1.00 0.00 H new ATOM 0 HG LEU A 35 9.272 4.349 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.428 3.117 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.875 3.176 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.490 4.239 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.934 4.960 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.976 6.154 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.020 6.366 -2.380 1.00 0.00 H new ATOM 500 N GLN A 36 12.805 7.390 -0.386 1.00 0.00 N ATOM 501 CA GLN A 36 13.766 8.118 0.434 1.00 0.00 C ATOM 502 C GLN A 36 14.005 9.518 -0.122 1.00 0.00 C ATOM 503 O GLN A 36 14.593 9.681 -1.190 1.00 0.00 O ATOM 504 CB GLN A 36 15.088 7.353 0.508 1.00 0.00 C ATOM 505 CG GLN A 36 16.226 8.161 1.111 1.00 0.00 C ATOM 506 CD GLN A 36 16.153 8.232 2.624 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.992 7.666 3.324 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.146 8.930 3.136 1.00 0.00 N ATOM 0 H GLN A 36 13.210 6.925 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 36 13.352 8.211 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.942 6.449 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.371 7.035 -0.496 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.177 7.717 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.206 9.171 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.473 9.383 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.045 9.013 4.148 1.00 0.00 H new ATOM 517 N GLY A 37 13.543 10.527 0.611 1.00 0.00 N ATOM 518 CA GLY A 37 13.716 11.900 0.174 1.00 0.00 C ATOM 519 C GLY A 37 12.539 12.404 -0.637 1.00 0.00 C ATOM 520 O GLY A 37 12.320 13.610 -0.741 1.00 0.00 O ATOM 0 H GLY A 37 13.053 10.418 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.854 12.540 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.624 11.976 -0.424 1.00 0.00 H new ATOM 524 N GLN A 38 11.780 11.477 -1.213 1.00 0.00 N ATOM 525 CA GLN A 38 10.620 11.835 -2.021 1.00 0.00 C ATOM 526 C GLN A 38 9.602 12.615 -1.197 1.00 0.00 C ATOM 527 O GLN A 38 9.660 12.623 0.033 1.00 0.00 O ATOM 528 CB GLN A 38 9.968 10.577 -2.600 1.00 0.00 C ATOM 529 CG GLN A 38 10.878 9.796 -3.535 1.00 0.00 C ATOM 530 CD GLN A 38 11.204 10.558 -4.804 1.00 0.00 C ATOM 531 OE1 GLN A 38 11.711 11.679 -4.756 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.915 9.952 -5.949 1.00 0.00 N ATOM 0 H GLN A 38 11.947 10.474 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 38 10.961 12.470 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.659 9.928 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.064 10.861 -3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.804 9.552 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.400 8.852 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.495 9.022 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.113 10.416 -6.836 1.00 0.00 H new ATOM 541 N ARG A 39 8.672 13.272 -1.882 1.00 0.00 N ATOM 542 CA ARG A 39 7.642 14.057 -1.213 1.00 0.00 C ATOM 543 C ARG A 39 6.835 13.190 -0.252 1.00 0.00 C ATOM 544 O ARG A 39 6.743 11.974 -0.424 1.00 0.00 O ATOM 545 CB ARG A 39 6.710 14.699 -2.243 1.00 0.00 C ATOM 546 CG ARG A 39 5.726 13.722 -2.865 1.00 0.00 C ATOM 547 CD ARG A 39 6.267 13.135 -4.160 1.00 0.00 C ATOM 548 NE ARG A 39 6.356 14.136 -5.219 1.00 0.00 N ATOM 549 CZ ARG A 39 6.951 13.919 -6.387 1.00 0.00 C ATOM 550 NH1 ARG A 39 7.507 12.743 -6.643 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.990 14.880 -7.302 1.00 0.00 N ATOM 0 H ARG A 39 8.611 13.276 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 39 8.135 14.842 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.155 15.506 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.311 15.150 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.515 12.918 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.782 14.230 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.254 12.709 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.622 12.319 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 39 5.939 15.052 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.479 12.002 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.963 12.579 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.563 15.786 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.447 14.712 -8.198 1.00 0.00 H new ATOM 565 N HIS A 40 6.252 13.822 0.762 1.00 0.00 N ATOM 566 CA HIS A 40 5.452 13.108 1.751 1.00 0.00 C ATOM 567 C HIS A 40 4.141 12.622 1.141 1.00 0.00 C ATOM 568 O HIS A 40 3.313 13.421 0.706 1.00 0.00 O ATOM 569 CB HIS A 40 5.166 14.008 2.953 1.00 0.00 C ATOM 570 CG HIS A 40 6.390 14.363 3.740 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.488 15.506 4.506 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.571 13.717 3.880 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.676 15.548 5.080 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.353 14.473 4.717 1.00 0.00 N ATOM 0 H HIS A 40 6.319 14.827 0.920 1.00 0.00 H new ATOM 0 HA HIS A 40 6.021 12.240 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.689 14.924 2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.454 13.508 3.610 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.757 16.209 4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.847 12.780 3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.034 16.329 5.735 1.00 0.00 H new ATOM 583 N GLY A 41 3.959 11.305 1.112 1.00 0.00 N ATOM 584 CA GLY A 41 2.747 10.735 0.553 1.00 0.00 C ATOM 585 C GLY A 41 3.017 9.489 -0.266 1.00 0.00 C ATOM 586 O GLY A 41 2.267 8.516 -0.192 1.00 0.00 O ATOM 0 H GLY A 41 4.630 10.623 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.057 10.492 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.255 11.479 -0.074 1.00 0.00 H new ATOM 590 N MET A 42 4.090 9.518 -1.050 1.00 0.00 N ATOM 591 CA MET A 42 4.456 8.380 -1.886 1.00 0.00 C ATOM 592 C MET A 42 4.349 7.074 -1.105 1.00 0.00 C ATOM 593 O MET A 42 4.678 7.019 0.080 1.00 0.00 O ATOM 594 CB MET A 42 5.878 8.552 -2.423 1.00 0.00 C ATOM 595 CG MET A 42 6.149 7.756 -3.689 1.00 0.00 C ATOM 596 SD MET A 42 7.653 8.284 -4.533 1.00 0.00 S ATOM 597 CE MET A 42 7.164 9.905 -5.115 1.00 0.00 C ATOM 0 H MET A 42 4.721 10.316 -1.124 1.00 0.00 H new ATOM 0 HA MET A 42 3.761 8.338 -2.725 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.057 9.609 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.588 8.248 -1.653 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.230 6.698 -3.438 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.301 7.859 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.162 9.915 -6.205 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.164 10.137 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.868 10.651 -4.747 1.00 0.00 H new ATOM 607 N PHE A 43 3.886 6.025 -1.777 1.00 0.00 N ATOM 608 CA PHE A 43 3.735 4.719 -1.145 1.00 0.00 C ATOM 609 C PHE A 43 4.042 3.598 -2.133 1.00 0.00 C ATOM 610 O PHE A 43 4.231 3.841 -3.326 1.00 0.00 O ATOM 611 CB PHE A 43 2.315 4.556 -0.597 1.00 0.00 C ATOM 612 CG PHE A 43 1.313 4.149 -1.639 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.065 2.810 -1.894 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.619 5.105 -2.363 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.145 2.432 -2.853 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.303 4.733 -3.323 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.541 3.395 -3.568 1.00 0.00 C ATOM 0 H PHE A 43 3.609 6.054 -2.758 1.00 0.00 H new ATOM 0 HA PHE A 43 4.445 4.657 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.324 3.810 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.998 5.497 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.597 2.053 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.801 6.153 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.038 1.385 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.837 5.488 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.262 3.102 -4.317 1.00 0.00 H new ATOM 627 N LEU A 44 4.092 2.370 -1.628 1.00 0.00 N ATOM 628 CA LEU A 44 4.377 1.210 -2.465 1.00 0.00 C ATOM 629 C LEU A 44 4.215 -0.084 -1.675 1.00 0.00 C ATOM 630 O LEU A 44 4.643 -0.180 -0.525 1.00 0.00 O ATOM 631 CB LEU A 44 5.795 1.301 -3.031 1.00 0.00 C ATOM 632 CG LEU A 44 6.931 1.056 -2.037 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.247 -0.429 -1.943 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.171 1.842 -2.440 1.00 0.00 C ATOM 0 H LEU A 44 3.939 2.152 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 44 3.663 1.203 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.888 0.580 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.928 2.291 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 44 6.609 1.401 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.058 -0.584 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.361 -0.969 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.549 -0.800 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.969 1.656 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.495 1.527 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.938 2.907 -2.455 1.00 0.00 H new ATOM 646 N VAL A 45 3.596 -1.080 -2.301 1.00 0.00 N ATOM 647 CA VAL A 45 3.380 -2.371 -1.658 1.00 0.00 C ATOM 648 C VAL A 45 4.313 -3.432 -2.229 1.00 0.00 C ATOM 649 O VAL A 45 4.094 -3.939 -3.329 1.00 0.00 O ATOM 650 CB VAL A 45 1.923 -2.843 -1.822 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.699 -4.153 -1.081 1.00 0.00 C ATOM 652 CG2 VAL A 45 0.958 -1.773 -1.332 1.00 0.00 C ATOM 0 H VAL A 45 3.235 -1.018 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 45 3.593 -2.236 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 45 1.732 -3.015 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.664 -4.471 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.365 -4.917 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.907 -4.011 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.067 -2.123 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.147 -1.568 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.102 -0.861 -1.911 1.00 0.00 H new ATOM 662 N ARG A 46 5.355 -3.764 -1.473 1.00 0.00 N ATOM 663 CA ARG A 46 6.323 -4.765 -1.904 1.00 0.00 C ATOM 664 C ARG A 46 6.141 -6.067 -1.128 1.00 0.00 C ATOM 665 O ARG A 46 5.291 -6.160 -0.243 1.00 0.00 O ATOM 666 CB ARG A 46 7.748 -4.242 -1.716 1.00 0.00 C ATOM 667 CG ARG A 46 7.955 -3.496 -0.408 1.00 0.00 C ATOM 668 CD ARG A 46 9.430 -3.232 -0.144 1.00 0.00 C ATOM 669 NE ARG A 46 10.037 -4.281 0.671 1.00 0.00 N ATOM 670 CZ ARG A 46 10.051 -4.264 1.999 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.494 -3.258 2.658 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.623 -5.255 2.670 1.00 0.00 N ATOM 0 H ARG A 46 5.550 -3.354 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 46 6.154 -4.966 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.443 -5.081 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.995 -3.579 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.415 -2.550 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.535 -4.077 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.960 -3.158 -1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.542 -2.272 0.359 1.00 0.00 H new ATOM 0 HE ARG A 46 10.474 -5.070 0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.053 -2.494 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.506 -3.247 3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.053 -6.031 2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.633 -5.241 3.690 1.00 0.00 H new ATOM 686 N ASP A 47 6.945 -7.069 -1.467 1.00 0.00 N ATOM 687 CA ASP A 47 6.874 -8.365 -0.802 1.00 0.00 C ATOM 688 C ASP A 47 7.605 -8.330 0.536 1.00 0.00 C ATOM 689 O ASP A 47 8.741 -7.863 0.622 1.00 0.00 O ATOM 690 CB ASP A 47 7.470 -9.453 -1.696 1.00 0.00 C ATOM 691 CG ASP A 47 7.017 -10.844 -1.295 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.852 -11.193 -1.581 1.00 0.00 O ATOM 693 OD2 ASP A 47 7.826 -11.582 -0.695 1.00 0.00 O ATOM 0 H ASP A 47 7.653 -7.009 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 47 5.825 -8.594 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.185 -9.265 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.558 -9.401 -1.651 1.00 0.00 H new ATOM 698 N SER A 48 6.946 -8.826 1.578 1.00 0.00 N ATOM 699 CA SER A 48 7.532 -8.848 2.913 1.00 0.00 C ATOM 700 C SER A 48 8.566 -9.963 3.035 1.00 0.00 C ATOM 701 O SER A 48 8.226 -11.113 3.313 1.00 0.00 O ATOM 702 CB SER A 48 6.440 -9.032 3.969 1.00 0.00 C ATOM 703 OG SER A 48 6.979 -8.960 5.278 1.00 0.00 O ATOM 0 H SER A 48 6.006 -9.218 1.524 1.00 0.00 H new ATOM 0 HA SER A 48 8.032 -7.894 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.676 -8.265 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.950 -9.995 3.826 1.00 0.00 H new ATOM 0 HG SER A 48 6.261 -9.079 5.934 1.00 0.00 H new ATOM 766 N ASP A 54 3.106 -12.333 3.822 1.00 0.00 N ATOM 767 CA ASP A 54 2.696 -10.997 4.239 1.00 0.00 C ATOM 768 C ASP A 54 3.267 -9.936 3.302 1.00 0.00 C ATOM 769 O ASP A 54 4.199 -10.202 2.543 1.00 0.00 O ATOM 770 CB ASP A 54 3.150 -10.725 5.674 1.00 0.00 C ATOM 771 CG ASP A 54 2.455 -11.621 6.680 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.987 -12.709 6.282 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.379 -11.235 7.865 1.00 0.00 O ATOM 0 HA ASP A 54 1.608 -10.948 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.228 -10.871 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.953 -9.682 5.923 1.00 0.00 H new ATOM 778 N TYR A 55 2.702 -8.736 3.362 1.00 0.00 N ATOM 779 CA TYR A 55 3.153 -7.636 2.517 1.00 0.00 C ATOM 780 C TYR A 55 3.683 -6.482 3.362 1.00 0.00 C ATOM 781 O TYR A 55 3.515 -6.461 4.581 1.00 0.00 O ATOM 782 CB TYR A 55 2.009 -7.147 1.627 1.00 0.00 C ATOM 783 CG TYR A 55 1.645 -8.114 0.523 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.626 -8.680 -0.283 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.321 -8.461 0.284 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.299 -9.563 -1.293 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.015 -9.344 -0.724 1.00 0.00 C ATOM 788 CZ TYR A 55 0.977 -9.893 -1.509 1.00 0.00 C ATOM 789 OH TYR A 55 0.646 -10.772 -2.515 1.00 0.00 O ATOM 0 H TYR A 55 1.931 -8.500 3.987 1.00 0.00 H new ATOM 0 HA TYR A 55 3.963 -8.004 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.130 -6.967 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.288 -6.191 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.662 -8.425 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.459 -8.033 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.074 -9.993 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.049 -9.603 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.326 -10.898 -2.533 1.00 0.00 H new ATOM 799 N VAL A 56 4.325 -5.522 2.704 1.00 0.00 N ATOM 800 CA VAL A 56 4.880 -4.362 3.392 1.00 0.00 C ATOM 801 C VAL A 56 4.624 -3.082 2.605 1.00 0.00 C ATOM 802 O VAL A 56 5.223 -2.857 1.552 1.00 0.00 O ATOM 803 CB VAL A 56 6.395 -4.517 3.621 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.977 -3.248 4.224 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.680 -5.719 4.510 1.00 0.00 C ATOM 0 H VAL A 56 4.474 -5.525 1.695 1.00 0.00 H new ATOM 0 HA VAL A 56 4.379 -4.297 4.358 1.00 0.00 H new ATOM 0 HB VAL A 56 6.875 -4.685 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.048 -3.377 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.806 -2.412 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.494 -3.045 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.755 -5.813 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.189 -5.584 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.300 -6.623 4.033 1.00 0.00 H new ATOM 815 N LEU A 57 3.732 -2.245 3.123 1.00 0.00 N ATOM 816 CA LEU A 57 3.397 -0.984 2.469 1.00 0.00 C ATOM 817 C LEU A 57 4.331 0.131 2.925 1.00 0.00 C ATOM 818 O LEU A 57 4.175 0.679 4.016 1.00 0.00 O ATOM 819 CB LEU A 57 1.945 -0.603 2.767 1.00 0.00 C ATOM 820 CG LEU A 57 1.570 0.857 2.515 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.222 1.074 1.050 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.409 1.271 3.407 1.00 0.00 C ATOM 0 H LEU A 57 3.228 -2.416 3.993 1.00 0.00 H new ATOM 0 HA LEU A 57 3.519 -1.117 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.293 -1.234 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.736 -0.836 3.811 1.00 0.00 H new ATOM 0 HG LEU A 57 2.430 1.480 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.958 2.119 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.081 0.818 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.377 0.441 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.156 2.313 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.455 0.642 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.694 1.155 4.453 1.00 0.00 H new ATOM 834 N SER A 58 5.303 0.465 2.081 1.00 0.00 N ATOM 835 CA SER A 58 6.264 1.515 2.398 1.00 0.00 C ATOM 836 C SER A 58 5.774 2.869 1.896 1.00 0.00 C ATOM 837 O SER A 58 5.386 3.011 0.736 1.00 0.00 O ATOM 838 CB SER A 58 7.626 1.191 1.781 1.00 0.00 C ATOM 839 OG SER A 58 8.052 -0.112 2.139 1.00 0.00 O ATOM 0 H SER A 58 5.445 0.023 1.173 1.00 0.00 H new ATOM 0 HA SER A 58 6.367 1.565 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.565 1.272 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.363 1.922 2.114 1.00 0.00 H new ATOM 0 HG SER A 58 8.552 -0.073 2.981 1.00 0.00 H new ATOM 845 N VAL A 59 5.795 3.863 2.778 1.00 0.00 N ATOM 846 CA VAL A 59 5.355 5.208 2.426 1.00 0.00 C ATOM 847 C VAL A 59 6.326 6.260 2.949 1.00 0.00 C ATOM 848 O VAL A 59 7.000 6.049 3.958 1.00 0.00 O ATOM 849 CB VAL A 59 3.948 5.502 2.982 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.104 4.237 2.993 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.042 6.102 4.376 1.00 0.00 C ATOM 0 H VAL A 59 6.112 3.762 3.742 1.00 0.00 H new ATOM 0 HA VAL A 59 5.325 5.256 1.337 1.00 0.00 H new ATOM 0 HB VAL A 59 3.462 6.228 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.114 4.464 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.010 3.854 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.583 3.486 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.040 6.304 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.546 5.401 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.608 7.033 4.334 1.00 0.00 H new ATOM 861 N SER A 60 6.392 7.393 2.258 1.00 0.00 N ATOM 862 CA SER A 60 7.284 8.477 2.651 1.00 0.00 C ATOM 863 C SER A 60 6.632 9.360 3.711 1.00 0.00 C ATOM 864 O SER A 60 5.590 9.969 3.471 1.00 0.00 O ATOM 865 CB SER A 60 7.664 9.321 1.433 1.00 0.00 C ATOM 866 OG SER A 60 8.177 10.582 1.826 1.00 0.00 O ATOM 0 H SER A 60 5.838 7.584 1.423 1.00 0.00 H new ATOM 0 HA SER A 60 8.186 8.036 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.408 8.792 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.790 9.463 0.798 1.00 0.00 H new ATOM 0 HG SER A 60 7.845 11.274 1.217 1.00 0.00 H new ATOM 872 N GLU A 61 7.254 9.422 4.885 1.00 0.00 N ATOM 873 CA GLU A 61 6.733 10.228 5.983 1.00 0.00 C ATOM 874 C GLU A 61 7.823 10.515 7.012 1.00 0.00 C ATOM 875 O GLU A 61 8.613 9.636 7.355 1.00 0.00 O ATOM 876 CB GLU A 61 5.557 9.518 6.654 1.00 0.00 C ATOM 877 CG GLU A 61 5.179 10.106 8.003 1.00 0.00 C ATOM 878 CD GLU A 61 6.012 9.544 9.139 1.00 0.00 C ATOM 879 OE1 GLU A 61 6.931 8.745 8.860 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.746 9.903 10.305 1.00 0.00 O ATOM 0 H GLU A 61 8.118 8.924 5.100 1.00 0.00 H new ATOM 0 HA GLU A 61 6.387 11.176 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.692 9.562 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.806 8.465 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.300 11.189 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.125 9.909 8.198 1.00 0.00 H new ATOM 887 N ASN A 62 7.859 11.751 7.499 1.00 0.00 N ATOM 888 CA ASN A 62 8.852 12.154 8.488 1.00 0.00 C ATOM 889 C ASN A 62 10.266 11.918 7.966 1.00 0.00 C ATOM 890 O ASN A 62 11.083 11.276 8.626 1.00 0.00 O ATOM 891 CB ASN A 62 8.643 11.385 9.794 1.00 0.00 C ATOM 892 CG ASN A 62 7.720 12.112 10.752 1.00 0.00 C ATOM 893 OD1 ASN A 62 8.135 12.536 11.831 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.459 12.259 10.361 1.00 0.00 N ATOM 0 H ASN A 62 7.212 12.491 7.225 1.00 0.00 H new ATOM 0 HA ASN A 62 8.727 13.220 8.678 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.229 10.402 9.571 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.607 11.223 10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.791 12.739 10.964 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.159 11.891 9.458 1.00 0.00 H new ATOM 901 N SER A 63 10.547 12.442 6.777 1.00 0.00 N ATOM 902 CA SER A 63 11.862 12.286 6.165 1.00 0.00 C ATOM 903 C SER A 63 12.340 10.841 6.266 1.00 0.00 C ATOM 904 O SER A 63 13.540 10.577 6.349 1.00 0.00 O ATOM 905 CB SER A 63 12.874 13.218 6.834 1.00 0.00 C ATOM 906 OG SER A 63 12.407 14.556 6.843 1.00 0.00 O ATOM 0 H SER A 63 9.882 12.978 6.219 1.00 0.00 H new ATOM 0 HA SER A 63 11.778 12.550 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.058 12.887 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.826 13.165 6.306 1.00 0.00 H new ATOM 0 HG SER A 63 13.071 15.131 7.277 1.00 0.00 H new ATOM 912 N ARG A 64 11.393 9.909 6.258 1.00 0.00 N ATOM 913 CA ARG A 64 11.716 8.490 6.349 1.00 0.00 C ATOM 914 C ARG A 64 10.732 7.655 5.535 1.00 0.00 C ATOM 915 O ARG A 64 9.828 8.191 4.894 1.00 0.00 O ATOM 916 CB ARG A 64 11.701 8.035 7.810 1.00 0.00 C ATOM 917 CG ARG A 64 10.303 7.835 8.372 1.00 0.00 C ATOM 918 CD ARG A 64 10.264 6.694 9.376 1.00 0.00 C ATOM 919 NE ARG A 64 10.422 7.168 10.749 1.00 0.00 N ATOM 920 CZ ARG A 64 10.140 6.431 11.817 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.688 5.192 11.672 1.00 0.00 N ATOM 922 NH2 ARG A 64 10.309 6.932 13.034 1.00 0.00 N ATOM 0 H ARG A 64 10.396 10.111 6.189 1.00 0.00 H new ATOM 0 HA ARG A 64 12.716 8.343 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.255 7.100 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.225 8.773 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.968 8.755 8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.608 7.628 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.318 6.161 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.055 5.981 9.145 1.00 0.00 H new ATOM 0 HE ARG A 64 10.768 8.116 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.556 4.803 10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.472 4.628 12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.656 7.884 13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.092 6.365 13.854 1.00 0.00 H new ATOM 936 N VAL A 65 10.914 6.338 5.566 1.00 0.00 N ATOM 937 CA VAL A 65 10.043 5.428 4.833 1.00 0.00 C ATOM 938 C VAL A 65 9.259 4.531 5.784 1.00 0.00 C ATOM 939 O VAL A 65 9.761 3.505 6.242 1.00 0.00 O ATOM 940 CB VAL A 65 10.845 4.547 3.857 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.922 3.591 3.117 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.627 5.410 2.879 1.00 0.00 C ATOM 0 H VAL A 65 11.657 5.878 6.091 1.00 0.00 H new ATOM 0 HA VAL A 65 9.347 6.046 4.265 1.00 0.00 H new ATOM 0 HB VAL A 65 11.556 3.954 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.507 2.977 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.412 2.949 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.184 4.161 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.188 4.771 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.936 6.031 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.319 6.048 3.429 1.00 0.00 H new ATOM 952 N SER A 66 8.023 4.925 6.077 1.00 0.00 N ATOM 953 CA SER A 66 7.170 4.158 6.977 1.00 0.00 C ATOM 954 C SER A 66 6.813 2.806 6.366 1.00 0.00 C ATOM 955 O SER A 66 6.177 2.736 5.314 1.00 0.00 O ATOM 956 CB SER A 66 5.894 4.941 7.294 1.00 0.00 C ATOM 957 OG SER A 66 5.413 4.628 8.589 1.00 0.00 O ATOM 0 H SER A 66 7.591 5.770 5.704 1.00 0.00 H new ATOM 0 HA SER A 66 7.721 3.985 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.093 6.010 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.129 4.711 6.553 1.00 0.00 H new ATOM 0 HG SER A 66 4.457 4.417 8.541 1.00 0.00 H new ATOM 963 N HIS A 67 7.227 1.734 7.034 1.00 0.00 N ATOM 964 CA HIS A 67 6.950 0.383 6.559 1.00 0.00 C ATOM 965 C HIS A 67 5.735 -0.204 7.269 1.00 0.00 C ATOM 966 O HIS A 67 5.842 -0.717 8.383 1.00 0.00 O ATOM 967 CB HIS A 67 8.168 -0.516 6.778 1.00 0.00 C ATOM 968 CG HIS A 67 9.400 -0.037 6.074 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.630 -0.247 4.731 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.473 0.647 6.535 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.792 0.285 4.397 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.324 0.834 5.474 1.00 0.00 N ATOM 0 H HIS A 67 7.755 1.775 7.906 1.00 0.00 H new ATOM 0 HA HIS A 67 6.734 0.436 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.373 -0.583 7.847 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.932 -1.523 6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.631 0.983 7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.232 0.273 3.411 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.221 1.318 5.511 1.00 0.00 H new ATOM 981 N TYR A 68 4.580 -0.126 6.617 1.00 0.00 N ATOM 982 CA TYR A 68 3.343 -0.648 7.187 1.00 0.00 C ATOM 983 C TYR A 68 3.131 -2.104 6.788 1.00 0.00 C ATOM 984 O TYR A 68 2.712 -2.398 5.668 1.00 0.00 O ATOM 985 CB TYR A 68 2.152 0.197 6.732 1.00 0.00 C ATOM 986 CG TYR A 68 2.087 1.557 7.390 1.00 0.00 C ATOM 987 CD1 TYR A 68 1.681 1.693 8.712 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.433 2.706 6.689 1.00 0.00 C ATOM 989 CE1 TYR A 68 1.620 2.934 9.316 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.376 3.951 7.286 1.00 0.00 C ATOM 991 CZ TYR A 68 1.969 4.059 8.599 1.00 0.00 C ATOM 992 OH TYR A 68 1.910 5.297 9.197 1.00 0.00 O ATOM 0 H TYR A 68 4.474 0.294 5.693 1.00 0.00 H new ATOM 0 HA TYR A 68 3.423 -0.597 8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.202 0.328 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.230 -0.345 6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.409 0.814 9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.752 2.625 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.301 3.023 10.344 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.649 4.834 6.727 1.00 0.00 H new ATOM 0 HH TYR A 68 2.765 5.489 9.637 1.00 0.00 H new ATOM 1002 N ILE A 69 3.423 -3.013 7.712 1.00 0.00 N ATOM 1003 CA ILE A 69 3.263 -4.439 7.458 1.00 0.00 C ATOM 1004 C ILE A 69 1.789 -4.813 7.334 1.00 0.00 C ATOM 1005 O ILE A 69 0.954 -4.353 8.113 1.00 0.00 O ATOM 1006 CB ILE A 69 3.903 -5.286 8.574 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.401 -4.988 8.673 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.667 -6.766 8.318 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.078 -5.678 9.837 1.00 0.00 C ATOM 0 H ILE A 69 3.772 -2.787 8.644 1.00 0.00 H new ATOM 0 HA ILE A 69 3.770 -4.650 6.517 1.00 0.00 H new ATOM 0 HB ILE A 69 3.435 -5.024 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.886 -5.295 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.544 -3.911 8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.125 -7.351 9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.596 -6.964 8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.111 -7.045 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.137 -5.422 9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.618 -5.352 10.770 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.966 -6.757 9.735 1.00 0.00 H new ATOM 1021 N ILE A 70 1.478 -5.652 6.352 1.00 0.00 N ATOM 1022 CA ILE A 70 0.106 -6.091 6.128 1.00 0.00 C ATOM 1023 C ILE A 70 -0.028 -7.597 6.324 1.00 0.00 C ATOM 1024 O ILE A 70 0.425 -8.384 5.494 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.379 -5.723 4.713 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.258 -4.214 4.485 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.815 -6.182 4.510 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.071 -3.796 3.896 1.00 0.00 C ATOM 0 H ILE A 70 2.158 -6.042 5.699 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.514 -5.575 6.861 1.00 0.00 H new ATOM 0 HB ILE A 70 0.251 -6.233 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.059 -3.890 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.404 -3.699 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.144 -5.915 3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.873 -7.263 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.459 -5.697 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.085 -2.714 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.876 -4.089 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.211 -4.283 2.931 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.656 -7.991 7.427 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.852 -9.404 7.731 1.00 0.00 C ATOM 1042 C ASN A 71 -1.898 -10.019 6.806 1.00 0.00 C ATOM 1043 O ASN A 71 -2.996 -9.485 6.651 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.279 -9.578 9.190 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.204 -9.135 10.164 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.461 -8.345 11.072 1.00 0.00 O ATOM 1047 ND2 ASN A 71 1.008 -9.645 9.978 1.00 0.00 N ATOM 0 H ASN A 71 -1.038 -7.352 8.125 1.00 0.00 H new ATOM 0 HA ASN A 71 0.095 -9.920 7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.188 -9.004 9.371 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.522 -10.625 9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.772 -9.385 10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.175 -10.297 9.211 1.00 0.00 H new ATOM 1054 N SER A 72 -1.549 -11.147 6.195 1.00 0.00 N ATOM 1055 CA SER A 72 -2.456 -11.834 5.283 1.00 0.00 C ATOM 1056 C SER A 72 -3.438 -12.711 6.053 1.00 0.00 C ATOM 1057 O SER A 72 -3.053 -13.714 6.656 1.00 0.00 O ATOM 1058 CB SER A 72 -1.664 -12.687 4.289 1.00 0.00 C ATOM 1059 OG SER A 72 -2.525 -13.520 3.533 1.00 0.00 O ATOM 0 H SER A 72 -0.645 -11.604 6.315 1.00 0.00 H new ATOM 0 HA SER A 72 -3.021 -11.080 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.099 -12.039 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.940 -13.299 4.827 1.00 0.00 H new ATOM 0 HG SER A 72 -1.995 -14.054 2.904 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.710 -12.326 6.028 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.750 -13.077 6.723 1.00 0.00 C ATOM 1067 C LEU A 73 -6.152 -14.315 5.928 1.00 0.00 C ATOM 1068 O LEU A 73 -6.073 -14.346 4.700 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.973 -12.190 6.962 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.698 -10.820 7.584 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.981 -10.009 7.678 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.062 -10.976 8.957 1.00 0.00 C ATOM 0 H LEU A 73 -5.045 -11.499 5.534 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.350 -13.400 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.479 -12.039 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.666 -12.728 7.609 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.000 -10.284 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.766 -9.038 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.396 -9.867 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.703 -10.540 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.873 -9.991 9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.736 -11.532 9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.120 -11.517 8.862 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.597 -15.359 6.643 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.024 -16.617 6.024 1.00 0.00 C ATOM 1086 C PRO A 74 -8.327 -16.469 5.247 1.00 0.00 C ATOM 1087 O PRO A 74 -8.609 -17.245 4.335 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.218 -17.553 7.220 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.505 -16.646 8.367 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.718 -15.391 8.110 1.00 0.00 C ATOM 0 HA PRO A 74 -6.299 -16.979 5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.040 -18.248 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.326 -18.152 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.571 -16.431 8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.210 -17.105 9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.233 -14.509 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.741 -15.423 8.593 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.119 -15.466 5.614 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.393 -15.216 4.951 1.00 0.00 C ATOM 1100 C ASN A 75 -10.202 -14.339 3.717 1.00 0.00 C ATOM 1101 O ASN A 75 -10.902 -13.343 3.536 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.373 -14.548 5.918 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.705 -13.497 6.783 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.837 -13.808 7.599 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.109 -12.244 6.608 1.00 0.00 N ATOM 0 H ASN A 75 -8.900 -14.814 6.367 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.803 -16.175 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.182 -14.087 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.824 -15.308 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.697 -11.493 7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.832 -12.033 5.920 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.248 -14.716 2.872 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.964 -13.964 1.656 1.00 0.00 C ATOM 1114 C ARG A 76 -9.052 -12.462 1.912 1.00 0.00 C ATOM 1115 O ARG A 76 -9.707 -11.733 1.167 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.938 -14.361 0.545 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.474 -15.553 -0.275 1.00 0.00 C ATOM 1118 CD ARG A 76 -8.283 -15.198 -1.151 1.00 0.00 C ATOM 1119 NE ARG A 76 -8.696 -14.702 -2.461 1.00 0.00 N ATOM 1120 CZ ARG A 76 -9.107 -15.490 -3.449 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -9.159 -16.803 -3.276 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -9.466 -14.964 -4.613 1.00 0.00 N ATOM 0 H ARG A 76 -8.659 -15.538 3.007 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.948 -14.203 1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.907 -14.591 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.085 -13.509 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.205 -16.372 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.294 -15.907 -0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.678 -14.442 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.652 -16.078 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.667 -13.696 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.883 -17.211 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.475 -17.405 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.427 -13.954 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.781 -15.570 -5.371 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.389 -12.008 2.971 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.394 -10.594 3.326 1.00 0.00 C ATOM 1138 C ARG A 77 -7.052 -10.179 3.922 1.00 0.00 C ATOM 1139 O ARG A 77 -6.296 -11.014 4.418 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.519 -10.301 4.321 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.873 -10.087 3.663 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.803 -9.279 4.554 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.096 -9.039 3.920 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.157 -8.570 4.568 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.078 -8.292 5.862 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.299 -8.377 3.921 1.00 0.00 N ATOM 0 H ARG A 77 -7.842 -12.599 3.597 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.562 -10.017 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.594 -11.129 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.260 -9.413 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.739 -9.571 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.328 -11.052 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.953 -9.808 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.335 -8.325 4.796 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.190 -9.243 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.201 -8.438 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.894 -7.932 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.363 -8.589 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.113 -8.017 4.419 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.763 -8.883 3.869 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.512 -8.356 4.402 1.00 0.00 C ATOM 1162 C PHE A 78 -5.759 -7.551 5.675 1.00 0.00 C ATOM 1163 O PHE A 78 -6.846 -7.012 5.882 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.817 -7.480 3.358 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.293 -8.251 2.181 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.111 -8.529 1.098 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -2.982 -8.700 2.158 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -4.632 -9.238 0.013 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.497 -9.409 1.075 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.323 -9.680 0.002 1.00 0.00 C ATOM 0 H PHE A 78 -7.378 -8.178 3.462 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.866 -9.200 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.519 -6.725 3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.991 -6.950 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.136 -8.187 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.332 -8.494 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.280 -9.446 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.473 -9.751 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.947 -10.236 -0.844 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.742 -7.475 6.526 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.845 -6.737 7.779 1.00 0.00 C ATOM 1182 C LYS A 79 -3.624 -5.848 7.989 1.00 0.00 C ATOM 1183 O LYS A 79 -2.557 -6.325 8.378 1.00 0.00 O ATOM 1184 CB LYS A 79 -4.993 -7.705 8.955 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.063 -7.015 10.306 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.807 -7.989 11.444 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.373 -7.265 12.710 1.00 0.00 C ATOM 1188 NZ LYS A 79 -4.132 -8.211 13.834 1.00 0.00 N ATOM 0 H LYS A 79 -3.836 -7.916 6.370 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.730 -6.102 7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.895 -8.300 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.151 -8.397 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.329 -6.210 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.044 -6.557 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.712 -8.563 11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.037 -8.701 11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.463 -6.698 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.140 -6.546 12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.838 -7.679 14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.007 -8.734 14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.382 -8.881 13.569 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.787 -4.555 7.731 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.698 -3.600 7.895 1.00 0.00 C ATOM 1204 C ILE A 80 -2.757 -2.929 9.264 1.00 0.00 C ATOM 1205 O ILE A 80 -3.648 -2.126 9.535 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.731 -2.515 6.803 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.825 -1.344 7.188 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.157 -2.036 6.575 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.383 -0.508 6.007 1.00 0.00 C ATOM 0 H ILE A 80 -4.663 -4.144 7.407 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.769 -4.163 7.808 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.360 -2.946 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.352 -0.706 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.943 -1.730 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.164 -1.269 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.777 -2.875 6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.553 -1.620 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.744 0.304 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.828 -1.132 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.258 -0.092 5.508 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.798 -3.263 10.122 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.758 -2.683 11.452 1.00 0.00 C ATOM 1223 C GLY A 81 -2.874 -3.193 12.341 1.00 0.00 C ATOM 1224 O GLY A 81 -2.857 -4.347 12.771 1.00 0.00 O ATOM 0 H GLY A 81 -1.048 -3.925 9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.797 -2.909 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.827 -1.598 11.374 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.846 -2.332 12.620 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.976 -2.702 13.466 1.00 0.00 C ATOM 1230 C ASP A 82 -6.289 -2.590 12.697 1.00 0.00 C ATOM 1231 O ASP A 82 -7.355 -2.434 13.292 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.021 -1.814 14.710 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.172 -2.358 15.841 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.438 -3.493 16.289 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.241 -1.650 16.279 1.00 0.00 O ATOM 0 H ASP A 82 -3.875 -1.373 12.273 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.844 -3.739 13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.677 -0.813 14.451 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.053 -1.719 15.048 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.203 -2.669 11.373 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.384 -2.574 10.524 1.00 0.00 C ATOM 1242 C GLN A 83 -7.402 -3.694 9.489 1.00 0.00 C ATOM 1243 O GLN A 83 -6.385 -4.343 9.246 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.428 -1.215 9.824 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.686 -0.052 10.768 1.00 0.00 C ATOM 1246 CD GLN A 83 -9.068 -0.100 11.388 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -10.043 -0.467 10.732 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.160 0.273 12.659 1.00 0.00 N ATOM 0 H GLN A 83 -5.328 -2.799 10.865 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.265 -2.676 11.158 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.482 -1.051 9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.207 -1.233 9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.936 -0.058 11.559 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.568 0.885 10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.326 0.570 13.165 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.065 0.262 13.129 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.564 -3.915 8.883 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.713 -4.958 7.874 1.00 0.00 C ATOM 1259 C GLU A 84 -9.521 -4.451 6.683 1.00 0.00 C ATOM 1260 O GLU A 84 -10.467 -3.680 6.843 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.392 -6.189 8.478 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.651 -6.768 9.672 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.437 -7.859 10.373 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.099 -8.655 9.675 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.391 -7.916 11.620 1.00 0.00 O ATOM 0 H GLU A 84 -9.416 -3.386 9.073 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.718 -5.235 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.404 -5.922 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.483 -6.957 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.694 -7.171 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.433 -5.970 10.381 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.140 -4.890 5.488 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.827 -4.480 4.269 1.00 0.00 C ATOM 1274 C PHE A 85 -10.216 -5.694 3.430 1.00 0.00 C ATOM 1275 O PHE A 85 -9.958 -6.835 3.813 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.939 -3.543 3.448 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.664 -2.231 4.126 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.538 -1.166 3.982 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.532 -2.064 4.907 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.287 0.043 4.604 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.276 -0.858 5.532 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.156 0.197 5.381 1.00 0.00 C ATOM 0 H PHE A 85 -8.360 -5.529 5.338 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.736 -3.950 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.992 -4.041 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.416 -3.353 2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.425 -1.281 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.842 -2.886 5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.975 0.866 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.390 -0.740 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.959 1.140 5.870 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.839 -5.439 2.285 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.265 -6.510 1.391 1.00 0.00 C ATOM 1294 C ASP A 86 -10.100 -6.997 0.533 1.00 0.00 C ATOM 1295 O ASP A 86 -10.073 -8.150 0.102 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.408 -6.032 0.495 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.288 -7.172 0.020 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.936 -7.815 0.872 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.327 -7.421 -1.203 1.00 0.00 O ATOM 0 H ASP A 86 -11.060 -4.500 1.954 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.616 -7.341 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.016 -5.311 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.995 -5.512 -0.369 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.141 -6.110 0.289 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.974 -6.449 -0.518 1.00 0.00 C ATOM 1306 C HIS A 87 -6.984 -5.288 -0.556 1.00 0.00 C ATOM 1307 O HIS A 87 -7.174 -4.274 0.116 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.400 -6.819 -1.939 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.564 -6.023 -2.441 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.456 -4.713 -2.859 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.867 -6.358 -2.594 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.641 -4.277 -3.246 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.515 -5.256 -3.095 1.00 0.00 N ATOM 0 H HIS A 87 -9.149 -5.152 0.638 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.483 -7.307 -0.060 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.555 -6.675 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.655 -7.878 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.314 -7.314 -2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.859 -3.288 -3.622 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.510 -5.202 -3.315 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.928 -5.444 -1.347 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.908 -4.409 -1.473 1.00 0.00 C ATOM 1324 C LEU A 88 -5.523 -3.090 -1.929 1.00 0.00 C ATOM 1325 O LEU A 88 -5.448 -2.071 -1.242 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.826 -4.849 -2.461 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.594 -5.520 -1.853 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.845 -4.547 -0.955 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -2.993 -6.766 -1.077 1.00 0.00 C ATOM 0 H LEU A 88 -5.756 -6.277 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.456 -4.258 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.274 -5.538 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.498 -3.975 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.930 -5.819 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.971 -5.042 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.525 -3.684 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.501 -4.216 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.103 -7.230 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.678 -6.491 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.484 -7.471 -1.748 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.148 -3.108 -3.115 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.792 -1.922 -3.689 1.00 0.00 C ATOM 1343 C PRO A 89 -8.046 -1.516 -2.923 1.00 0.00 C ATOM 1344 O PRO A 89 -8.794 -0.640 -3.357 1.00 0.00 O ATOM 1345 CB PRO A 89 -7.152 -2.366 -5.109 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.275 -3.848 -5.023 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.276 -4.287 -3.988 1.00 0.00 C ATOM 0 HA PRO A 89 -6.142 -1.048 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.084 -1.910 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.382 -2.073 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.286 -4.140 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.069 -4.313 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.626 -5.159 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.322 -4.558 -4.440 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.271 -2.158 -1.781 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.434 -1.861 -0.954 1.00 0.00 C ATOM 1357 C ALA A 90 -9.037 -1.073 0.289 1.00 0.00 C ATOM 1358 O ALA A 90 -9.882 -0.468 0.950 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.144 -3.148 -0.561 1.00 0.00 C ATOM 0 H ALA A 90 -7.663 -2.887 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.118 -1.246 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.011 -2.912 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.471 -3.672 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.460 -3.784 0.002 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.746 -1.083 0.603 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.236 -0.369 1.768 1.00 0.00 C ATOM 1367 C LEU A 91 -6.594 0.953 1.359 1.00 0.00 C ATOM 1368 O LEU A 91 -6.757 1.970 2.034 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.220 -1.233 2.516 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.839 -1.356 1.870 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.923 -0.241 2.351 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.229 -2.717 2.171 1.00 0.00 C ATOM 0 H LEU A 91 -7.033 -1.578 0.067 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.076 -0.154 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.095 -0.825 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.637 -2.234 2.628 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.955 -1.263 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.945 -0.345 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.353 0.724 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.813 -0.302 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.247 -2.787 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.127 -2.840 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.875 -3.501 1.776 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.866 0.932 0.248 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.201 2.129 -0.254 1.00 0.00 C ATOM 1386 C LEU A 92 -6.219 3.197 -0.640 1.00 0.00 C ATOM 1387 O LEU A 92 -5.992 4.388 -0.434 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.325 1.783 -1.460 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.387 0.588 -1.286 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.968 0.038 -2.641 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.166 0.984 -0.469 1.00 0.00 C ATOM 0 H LEU A 92 -5.721 0.099 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.571 2.525 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.976 1.588 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.725 2.657 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.922 -0.195 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.301 -0.812 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.852 -0.283 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.451 0.814 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.509 0.122 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.630 1.783 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.483 1.331 0.514 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.343 2.760 -1.200 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.397 3.679 -1.614 1.00 0.00 C ATOM 1405 C GLU A 93 -9.138 4.237 -0.403 1.00 0.00 C ATOM 1406 O GLU A 93 -9.703 5.330 -0.456 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.382 2.973 -2.548 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.194 1.885 -1.866 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.540 1.660 -2.527 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.687 2.023 -3.713 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.447 1.122 -1.858 1.00 0.00 O ATOM 0 H GLU A 93 -7.547 1.776 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.932 4.508 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.063 3.712 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.831 2.535 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.628 0.954 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.347 2.153 -0.821 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.133 3.478 0.688 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.806 3.895 1.913 1.00 0.00 C ATOM 1420 C PHE A 94 -8.924 4.840 2.723 1.00 0.00 C ATOM 1421 O PHE A 94 -9.419 5.656 3.501 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.177 2.675 2.757 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.168 2.976 3.845 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.502 3.195 3.543 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.765 3.041 5.169 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.416 3.474 4.542 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.674 3.319 6.172 1.00 0.00 C ATOM 1428 CZ PHE A 94 -13.001 3.535 5.858 1.00 0.00 C ATOM 0 H PHE A 94 -8.670 2.571 0.749 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.717 4.426 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.588 1.904 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.272 2.264 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.832 3.147 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.728 2.872 5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.453 3.644 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.347 3.367 7.200 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.714 3.751 6.640 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.614 4.723 2.536 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.661 5.564 3.252 1.00 0.00 C ATOM 1440 C TYR A 95 -6.531 6.929 2.584 1.00 0.00 C ATOM 1441 O TYR A 95 -6.032 7.882 3.183 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.294 4.881 3.315 1.00 0.00 C ATOM 1443 CG TYR A 95 -5.115 3.994 4.526 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.295 4.494 5.810 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.765 2.657 4.387 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.132 3.688 6.920 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.601 1.843 5.491 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.785 2.363 6.755 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.622 1.556 7.858 1.00 0.00 O ATOM 0 H TYR A 95 -7.187 4.054 1.895 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.033 5.710 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.154 4.284 2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.516 5.644 3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.567 5.531 5.942 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.619 2.247 3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.275 4.093 7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.330 0.805 5.365 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.379 0.652 7.569 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.983 7.016 1.337 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.920 8.264 0.585 1.00 0.00 C ATOM 1461 C LYS A 96 -7.475 9.423 1.407 1.00 0.00 C ATOM 1462 O LYS A 96 -7.163 10.585 1.147 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.699 8.133 -0.725 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.977 7.319 -1.785 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.817 7.168 -3.041 1.00 0.00 C ATOM 1466 CE LYS A 96 -6.947 7.037 -4.282 1.00 0.00 C ATOM 1467 NZ LYS A 96 -6.485 8.363 -4.778 1.00 0.00 N ATOM 0 H LYS A 96 -7.397 6.237 0.826 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.874 8.471 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.664 7.670 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.901 9.129 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.032 7.802 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.736 6.333 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.456 6.290 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.475 8.031 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.083 6.413 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.508 6.531 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.841 8.516 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.845 9.112 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.445 8.388 -4.785 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.299 9.098 2.397 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.895 10.113 3.258 1.00 0.00 C ATOM 1483 C ILE A 97 -8.347 10.020 4.678 1.00 0.00 C ATOM 1484 O ILE A 97 -8.221 11.029 5.373 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.429 9.982 3.302 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.831 8.623 3.879 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -11.017 10.168 1.911 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.319 8.480 4.107 1.00 0.00 C ATOM 0 H ILE A 97 -8.569 8.141 2.623 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.633 11.082 2.833 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.827 10.763 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.498 7.837 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.310 8.470 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.102 10.073 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.756 11.157 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.615 9.408 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.531 7.493 4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.655 9.244 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.845 8.600 3.160 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.021 8.804 5.103 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.483 8.579 6.440 1.00 0.00 C ATOM 1502 C HIS A 98 -5.968 8.756 6.453 1.00 0.00 C ATOM 1503 O HIS A 98 -5.288 8.446 5.474 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.849 7.179 6.931 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.297 7.027 7.284 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.905 5.801 7.458 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.258 7.956 7.498 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.178 5.983 7.762 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.417 7.281 7.793 1.00 0.00 N ATOM 0 H HIS A 98 -8.120 7.959 4.541 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.923 9.317 7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.594 6.454 6.158 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.243 6.940 7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.136 9.028 7.446 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.900 5.203 7.953 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.317 7.713 8.002 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.445 9.257 7.567 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.011 9.478 7.706 1.00 0.00 C ATOM 1520 C TYR A 99 -3.367 8.371 8.534 1.00 0.00 C ATOM 1521 O TYR A 99 -3.648 8.226 9.724 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.744 10.837 8.355 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.288 12.005 7.563 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.649 12.123 7.310 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.441 12.988 7.066 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.151 13.188 6.586 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.934 14.056 6.343 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.289 14.152 6.105 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.784 15.214 5.383 1.00 0.00 O ATOM 0 H TYR A 99 -5.993 9.518 8.387 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.569 9.465 6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.186 10.847 9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.669 10.964 8.482 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.326 11.370 7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.379 12.915 7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.212 13.265 6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.262 14.812 5.966 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.046 15.802 5.119 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.500 7.592 7.895 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.814 6.497 8.572 1.00 0.00 C ATOM 1541 C LEU A 100 -1.145 6.982 9.854 1.00 0.00 C ATOM 1542 O LEU A 100 -1.541 6.600 10.955 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.770 5.872 7.644 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.266 5.461 6.257 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.139 5.548 5.240 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.846 4.055 6.294 1.00 0.00 C ATOM 0 H LEU A 100 -2.256 7.698 6.910 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.557 5.743 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.048 6.582 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.356 4.992 8.136 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.054 6.150 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.511 5.252 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.231 6.572 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.671 4.882 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.194 3.779 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.078 3.353 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.682 4.025 6.992 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.132 7.827 9.703 1.00 0.00 N ATOM 1559 CA ASP A 101 0.590 8.368 10.849 1.00 0.00 C ATOM 1560 C ASP A 101 0.452 9.886 10.911 1.00 0.00 C ATOM 1561 O ASP A 101 -0.182 10.427 11.819 1.00 0.00 O ATOM 1562 CB ASP A 101 2.068 7.981 10.777 1.00 0.00 C ATOM 1563 CG ASP A 101 2.352 6.655 11.456 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.529 6.228 12.292 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.398 6.045 11.149 1.00 0.00 O ATOM 0 H ASP A 101 0.208 8.153 8.798 1.00 0.00 H new ATOM 0 HA ASP A 101 0.155 7.944 11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.376 7.925 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.668 8.761 11.244 1.00 0.00 H new ATOM 1570 N THR A 102 1.050 10.570 9.940 1.00 0.00 N ATOM 1571 CA THR A 102 0.995 12.025 9.886 1.00 0.00 C ATOM 1572 C THR A 102 0.586 12.509 8.499 1.00 0.00 C ATOM 1573 O THR A 102 0.412 13.707 8.274 1.00 0.00 O ATOM 1574 CB THR A 102 2.353 12.653 10.255 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.206 14.065 10.441 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.386 12.383 9.172 1.00 0.00 C ATOM 0 H THR A 102 1.578 10.139 9.181 1.00 0.00 H new ATOM 0 HA THR A 102 0.247 12.340 10.614 1.00 0.00 H new ATOM 0 HB THR A 102 2.698 12.199 11.184 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.566 14.416 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.336 12.836 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.517 11.307 9.055 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.046 12.812 8.230 1.00 0.00 H new ATOM 1584 N THR A 103 0.431 11.569 7.572 1.00 0.00 N ATOM 1585 CA THR A 103 0.041 11.899 6.207 1.00 0.00 C ATOM 1586 C THR A 103 -0.837 10.808 5.606 1.00 0.00 C ATOM 1587 O THR A 103 -1.072 9.772 6.229 1.00 0.00 O ATOM 1588 CB THR A 103 1.273 12.104 5.305 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.880 12.709 4.068 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.969 10.780 5.030 1.00 0.00 C ATOM 0 H THR A 103 0.570 10.573 7.742 1.00 0.00 H new ATOM 0 HA THR A 103 -0.524 12.830 6.257 1.00 0.00 H new ATOM 0 HB THR A 103 1.970 12.761 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.669 12.837 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.836 10.950 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.294 10.337 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.277 10.102 4.530 1.00 0.00 H new ATOM 1598 N THR A 104 -1.321 11.045 4.391 1.00 0.00 N ATOM 1599 CA THR A 104 -2.174 10.082 3.706 1.00 0.00 C ATOM 1600 C THR A 104 -1.505 9.558 2.441 1.00 0.00 C ATOM 1601 O THR A 104 -0.407 9.986 2.083 1.00 0.00 O ATOM 1602 CB THR A 104 -3.535 10.702 3.335 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.343 11.812 2.451 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.278 11.161 4.580 1.00 0.00 C ATOM 0 H THR A 104 -1.137 11.897 3.861 1.00 0.00 H new ATOM 0 HA THR A 104 -2.336 9.255 4.397 1.00 0.00 H new ATOM 0 HB THR A 104 -4.133 9.940 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.213 12.199 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.236 11.595 4.293 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.449 10.308 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.683 11.909 5.104 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.174 8.629 1.766 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.644 8.046 0.538 1.00 0.00 C ATOM 1614 C LEU A 105 -2.014 8.897 -0.673 1.00 0.00 C ATOM 1615 O LEU A 105 -3.188 9.020 -1.021 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.174 6.623 0.356 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.787 5.618 1.442 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.407 4.259 1.158 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.273 5.505 1.549 1.00 0.00 C ATOM 0 H LEU A 105 -3.084 8.264 2.048 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.557 8.015 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.262 6.666 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.820 6.245 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.173 5.977 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.120 3.557 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.493 4.352 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.053 3.892 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.016 4.786 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.135 5.170 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.148 6.478 1.802 1.00 0.00 H new ATOM 1631 N ILE A 106 -1.004 9.479 -1.311 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.223 10.315 -2.484 1.00 0.00 C ATOM 1633 C ILE A 106 -1.100 9.503 -3.769 1.00 0.00 C ATOM 1634 O ILE A 106 -2.091 9.254 -4.455 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.226 11.488 -2.534 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.185 12.209 -1.185 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.601 12.455 -3.647 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.488 12.884 -0.821 1.00 0.00 C ATOM 0 H ILE A 106 -0.026 9.387 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.235 10.712 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 106 0.768 11.092 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.073 11.491 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.608 12.956 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.113 13.278 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.583 11.933 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.602 12.847 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.386 13.375 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.738 13.626 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.281 12.139 -0.768 1.00 0.00 H new ATOM 1650 N GLU A 107 0.124 9.091 -4.087 1.00 0.00 N ATOM 1651 CA GLU A 107 0.376 8.305 -5.289 1.00 0.00 C ATOM 1652 C GLU A 107 1.558 7.362 -5.085 1.00 0.00 C ATOM 1653 O GLU A 107 2.535 7.689 -4.411 1.00 0.00 O ATOM 1654 CB GLU A 107 0.644 9.227 -6.481 1.00 0.00 C ATOM 1655 CG GLU A 107 1.940 10.012 -6.364 1.00 0.00 C ATOM 1656 CD GLU A 107 2.153 10.963 -7.525 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.678 10.519 -8.568 1.00 0.00 O ATOM 1658 OE2 GLU A 107 1.793 12.151 -7.392 1.00 0.00 O ATOM 0 H GLU A 107 0.955 9.288 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.512 7.707 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.672 8.630 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.186 9.926 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.935 10.578 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.778 9.317 -6.310 1.00 0.00 H new ATOM 1665 N PRO A 108 1.469 6.164 -5.681 1.00 0.00 N ATOM 1666 CA PRO A 108 2.522 5.149 -5.580 1.00 0.00 C ATOM 1667 C PRO A 108 3.782 5.543 -6.342 1.00 0.00 C ATOM 1668 O PRO A 108 3.709 6.064 -7.454 1.00 0.00 O ATOM 1669 CB PRO A 108 1.881 3.910 -6.210 1.00 0.00 C ATOM 1670 CG PRO A 108 0.849 4.448 -7.139 1.00 0.00 C ATOM 1671 CD PRO A 108 0.333 5.708 -6.500 1.00 0.00 C ATOM 0 HA PRO A 108 2.848 5.001 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.619 3.310 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.434 3.267 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.277 4.655 -8.120 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.044 3.728 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.052 6.451 -7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.551 5.517 -5.891 1.00 0.00 H new ATOM 1679 N ALA A 109 4.938 5.292 -5.735 1.00 0.00 N ATOM 1680 CA ALA A 109 6.214 5.618 -6.358 1.00 0.00 C ATOM 1681 C ALA A 109 6.287 5.072 -7.780 1.00 0.00 C ATOM 1682 O ALA A 109 5.672 4.059 -8.114 1.00 0.00 O ATOM 1683 CB ALA A 109 7.364 5.074 -5.522 1.00 0.00 C ATOM 0 H ALA A 109 5.016 4.864 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 109 6.298 6.704 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.311 5.325 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.331 5.516 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.274 3.991 -5.441 1.00 0.00 H new ATOM 1689 N PRO A 110 7.056 5.757 -8.639 1.00 0.00 N ATOM 1690 CA PRO A 110 7.227 5.358 -10.039 1.00 0.00 C ATOM 1691 C PRO A 110 8.040 4.076 -10.182 1.00 0.00 C ATOM 1692 O PRO A 110 8.920 3.794 -9.369 1.00 0.00 O ATOM 1693 CB PRO A 110 7.981 6.540 -10.655 1.00 0.00 C ATOM 1694 CG PRO A 110 8.701 7.167 -9.512 1.00 0.00 C ATOM 1695 CD PRO A 110 7.819 6.973 -8.310 1.00 0.00 C ATOM 0 HA PRO A 110 6.273 5.145 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 110 8.676 6.208 -11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.296 7.245 -11.126 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.674 6.701 -9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.880 8.226 -9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.404 6.846 -7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.163 7.829 -8.151 1.00 0.00 H new