USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 954 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 26 GLN : amide:sc= -0.0162 K(o=-0.069,f=-2.7) USER MOD Set 1.2: A 104 GLN :FLIP amide:sc= -0.0524 F(o=-1.3!,f=-0.069) USER MOD Set 2.1: A 85 HIS : no HE2:sc= 0.312 K(o=0.88,f=-5.1!) USER MOD Set 2.2: A 87 HIS : no HE2:sc= 0.567 K(o=0.88,f=-2!) USER MOD Set 3.1: A 71 TYR OH : rot 180:sc= 1.13 USER MOD Set 3.2: A 74 SER OG : rot -93:sc= 1.24 USER MOD Single : A 7 LYS NZ :NH3+ -164:sc=-0.00754 (180deg=-0.178) USER MOD Single : A 8 MET CE :methyl 160:sc= -0.193 (180deg=-0.688) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= 1.21 (180deg=1.05) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.557 (180deg=-1.74!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 52 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.032) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : +bothHN:sc= 0.368 K(o=0.37,f=-9.7!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 101 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 103 HIS : +bothHN:sc= 1.42 K(o=1.4,f=-8.7!) USER MOD Single : A 109 CYS SG : rot -100:sc= -2.7 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -1.34 K(o=-1.3,f=-6!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -160:sc= -0.152 (180deg=-0.632) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -19.679 -8.384 -3.676 1.00 0.00 N ATOM 79 CA LYS A 7 -19.012 -7.209 -4.207 1.00 0.00 C ATOM 80 C LYS A 7 -17.505 -7.326 -4.050 1.00 0.00 C ATOM 81 O LYS A 7 -17.014 -7.942 -3.100 1.00 0.00 O ATOM 82 CB LYS A 7 -19.514 -5.949 -3.502 1.00 0.00 C ATOM 83 CG LYS A 7 -20.891 -5.499 -3.961 1.00 0.00 C ATOM 84 CD LYS A 7 -21.404 -4.338 -3.126 1.00 0.00 C ATOM 85 CE LYS A 7 -22.598 -3.664 -3.783 1.00 0.00 C ATOM 86 NZ LYS A 7 -22.206 -2.905 -5.001 1.00 0.00 N ATOM 0 HA LYS A 7 -19.245 -7.138 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.540 -6.131 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.802 -5.141 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.848 -5.204 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.589 -6.334 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.687 -4.697 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.606 -3.609 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.340 -4.417 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.071 -2.988 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -22.970 -2.250 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -21.338 -2.365 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.035 -3.568 -5.783 1.00 0.00 H new ATOM 100 N MET A 8 -16.779 -6.742 -4.988 1.00 0.00 N ATOM 101 CA MET A 8 -15.333 -6.684 -4.908 1.00 0.00 C ATOM 102 C MET A 8 -14.890 -5.302 -4.456 1.00 0.00 C ATOM 103 O MET A 8 -15.422 -4.283 -4.901 1.00 0.00 O ATOM 104 CB MET A 8 -14.690 -7.043 -6.252 1.00 0.00 C ATOM 105 CG MET A 8 -14.819 -8.513 -6.613 1.00 0.00 C ATOM 106 SD MET A 8 -14.048 -8.910 -8.198 1.00 0.00 S ATOM 107 CE MET A 8 -12.343 -8.467 -7.870 1.00 0.00 C ATOM 0 H MET A 8 -17.172 -6.299 -5.818 1.00 0.00 H new ATOM 0 HA MET A 8 -15.001 -7.418 -4.174 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.149 -6.443 -7.037 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.634 -6.776 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.362 -9.117 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.874 -8.783 -6.649 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.693 -8.966 -8.588 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.223 -7.387 -7.962 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.074 -8.777 -6.860 1.00 0.00 H new ATOM 117 N ILE A 9 -13.927 -5.283 -3.559 1.00 0.00 N ATOM 118 CA ILE A 9 -13.413 -4.051 -2.993 1.00 0.00 C ATOM 119 C ILE A 9 -11.986 -3.836 -3.472 1.00 0.00 C ATOM 120 O ILE A 9 -11.129 -4.681 -3.261 1.00 0.00 O ATOM 121 CB ILE A 9 -13.433 -4.118 -1.450 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.863 -4.321 -0.946 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.815 -2.877 -0.818 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.974 -4.371 0.562 1.00 0.00 C ATOM 0 H ILE A 9 -13.476 -6.124 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.043 -3.222 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.825 -4.972 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.490 -3.512 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.257 -5.248 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.850 -2.966 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.778 -2.782 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.374 -1.994 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.016 -4.517 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.375 -5.198 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.611 -3.434 0.985 1.00 0.00 H new ATOM 136 N GLU A 10 -11.731 -2.716 -4.112 1.00 0.00 N ATOM 137 CA GLU A 10 -10.398 -2.432 -4.619 1.00 0.00 C ATOM 138 C GLU A 10 -9.679 -1.509 -3.663 1.00 0.00 C ATOM 139 O GLU A 10 -10.150 -0.406 -3.379 1.00 0.00 O ATOM 140 CB GLU A 10 -10.452 -1.807 -6.012 1.00 0.00 C ATOM 141 CG GLU A 10 -10.516 -2.818 -7.146 1.00 0.00 C ATOM 142 CD GLU A 10 -9.146 -3.364 -7.527 1.00 0.00 C ATOM 143 OE1 GLU A 10 -8.130 -2.912 -6.959 1.00 0.00 O ATOM 144 OE2 GLU A 10 -9.082 -4.235 -8.425 1.00 0.00 O ATOM 0 H GLU A 10 -12.422 -1.988 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.854 -3.373 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.323 -1.155 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.573 -1.178 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.163 -3.645 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.971 -2.350 -8.019 1.00 0.00 H new ATOM 151 N VAL A 11 -8.552 -1.963 -3.159 1.00 0.00 N ATOM 152 CA VAL A 11 -7.780 -1.190 -2.212 1.00 0.00 C ATOM 153 C VAL A 11 -6.366 -1.035 -2.734 1.00 0.00 C ATOM 154 O VAL A 11 -5.666 -2.017 -2.977 1.00 0.00 O ATOM 155 CB VAL A 11 -7.754 -1.849 -0.813 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.872 -1.067 0.146 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.164 -1.967 -0.250 1.00 0.00 C ATOM 0 H VAL A 11 -8.148 -2.870 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.253 -0.214 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.334 -2.849 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.873 -1.554 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.854 -1.033 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.255 -0.052 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.125 -2.433 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.606 -0.974 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.772 -2.578 -0.917 1.00 0.00 H new ATOM 167 N VAL A 12 -5.955 0.194 -2.923 1.00 0.00 N ATOM 168 CA VAL A 12 -4.641 0.469 -3.449 1.00 0.00 C ATOM 169 C VAL A 12 -3.684 0.814 -2.326 1.00 0.00 C ATOM 170 O VAL A 12 -4.010 1.592 -1.427 1.00 0.00 O ATOM 171 CB VAL A 12 -4.666 1.605 -4.493 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.085 1.064 -5.850 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.603 2.722 -4.049 1.00 0.00 C ATOM 0 H VAL A 12 -6.514 1.023 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.295 -0.435 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.661 2.018 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.098 1.876 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.377 0.300 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.081 0.627 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.607 3.513 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.612 2.326 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.261 3.126 -3.096 1.00 0.00 H new ATOM 183 N ALA A 13 -2.511 0.216 -2.375 1.00 0.00 N ATOM 184 CA ALA A 13 -1.487 0.450 -1.382 1.00 0.00 C ATOM 185 C ALA A 13 -0.301 1.123 -2.044 1.00 0.00 C ATOM 186 O ALA A 13 0.159 0.684 -3.101 1.00 0.00 O ATOM 187 CB ALA A 13 -1.065 -0.862 -0.731 1.00 0.00 C ATOM 0 H ALA A 13 -2.243 -0.445 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.881 1.099 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.294 -0.667 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.927 -1.323 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.672 -1.536 -1.492 1.00 0.00 H new ATOM 193 N ALA A 14 0.190 2.187 -1.441 1.00 0.00 N ATOM 194 CA ALA A 14 1.281 2.942 -2.017 1.00 0.00 C ATOM 195 C ALA A 14 2.580 2.612 -1.314 1.00 0.00 C ATOM 196 O ALA A 14 2.713 2.796 -0.103 1.00 0.00 O ATOM 197 CB ALA A 14 1.007 4.437 -1.929 1.00 0.00 C ATOM 0 H ALA A 14 -0.151 2.548 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 14 1.368 2.666 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.840 4.986 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.091 4.672 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.893 4.725 -0.884 1.00 0.00 H new ATOM 203 N ILE A 15 3.537 2.125 -2.075 1.00 0.00 N ATOM 204 CA ILE A 15 4.848 1.859 -1.544 1.00 0.00 C ATOM 205 C ILE A 15 5.722 3.070 -1.802 1.00 0.00 C ATOM 206 O ILE A 15 6.215 3.265 -2.915 1.00 0.00 O ATOM 207 CB ILE A 15 5.478 0.598 -2.182 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.668 -0.646 -1.795 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.933 0.448 -1.766 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.429 -1.943 -1.962 1.00 0.00 C ATOM 0 H ILE A 15 3.427 1.906 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 15 4.766 1.669 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 15 5.453 0.707 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.350 -0.553 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.764 -0.684 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.353 -0.446 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.496 1.323 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.994 0.359 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.793 -2.778 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.725 -2.060 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.319 -1.927 -1.332 1.00 0.00 H new ATOM 222 N ILE A 16 5.886 3.899 -0.786 1.00 0.00 N ATOM 223 CA ILE A 16 6.630 5.136 -0.930 1.00 0.00 C ATOM 224 C ILE A 16 8.094 4.851 -0.673 1.00 0.00 C ATOM 225 O ILE A 16 8.472 4.549 0.456 1.00 0.00 O ATOM 226 CB ILE A 16 6.162 6.200 0.089 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.637 6.171 0.265 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.626 7.587 -0.341 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.874 6.944 -0.785 1.00 0.00 C ATOM 0 H ILE A 16 5.513 3.737 0.149 1.00 0.00 H new ATOM 0 HA ILE A 16 6.465 5.519 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 16 6.612 5.964 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.301 5.134 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.389 6.573 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.289 8.325 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.714 7.605 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.207 7.824 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.805 6.871 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.177 7.991 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.088 6.529 -1.770 1.00 0.00 H new ATOM 241 N GLU A 17 8.915 4.917 -1.700 1.00 0.00 N ATOM 242 CA GLU A 17 10.319 4.617 -1.525 1.00 0.00 C ATOM 243 C GLU A 17 11.142 5.888 -1.532 1.00 0.00 C ATOM 244 O GLU A 17 11.139 6.643 -2.506 1.00 0.00 O ATOM 245 CB GLU A 17 10.826 3.657 -2.595 1.00 0.00 C ATOM 246 CG GLU A 17 12.239 3.166 -2.322 1.00 0.00 C ATOM 247 CD GLU A 17 12.760 2.248 -3.400 1.00 0.00 C ATOM 248 OE1 GLU A 17 11.945 1.525 -4.005 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.987 2.231 -3.635 1.00 0.00 O ATOM 0 H GLU A 17 8.641 5.171 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 17 10.430 4.129 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.154 2.801 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.800 4.154 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.905 4.024 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.258 2.643 -1.366 1.00 0.00 H new ATOM 256 N ARG A 18 11.826 6.121 -0.430 1.00 0.00 N ATOM 257 CA ARG A 18 12.730 7.243 -0.305 1.00 0.00 C ATOM 258 C ARG A 18 13.939 6.800 0.493 1.00 0.00 C ATOM 259 O ARG A 18 13.794 6.041 1.448 1.00 0.00 O ATOM 260 CB ARG A 18 12.039 8.429 0.370 1.00 0.00 C ATOM 261 CG ARG A 18 12.254 9.739 -0.368 1.00 0.00 C ATOM 262 CD ARG A 18 11.770 9.633 -1.804 1.00 0.00 C ATOM 263 NE ARG A 18 12.054 10.831 -2.581 1.00 0.00 N ATOM 264 CZ ARG A 18 12.719 10.823 -3.735 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.189 9.681 -4.226 1.00 0.00 N ATOM 266 NH2 ARG A 18 12.912 11.955 -4.393 1.00 0.00 N ATOM 0 H ARG A 18 11.770 5.536 0.404 1.00 0.00 H new ATOM 0 HA ARG A 18 13.043 7.572 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.970 8.228 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.411 8.527 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.721 10.541 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.312 10.000 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.244 8.775 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.696 9.448 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 18 11.725 11.727 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.041 8.808 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.698 9.677 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.552 12.832 -4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.421 11.951 -5.277 1.00 0.00 H new ATOM 280 N ASP A 19 15.125 7.239 0.062 1.00 0.00 N ATOM 281 CA ASP A 19 16.409 6.832 0.661 1.00 0.00 C ATOM 282 C ASP A 19 16.822 5.455 0.164 1.00 0.00 C ATOM 283 O ASP A 19 18.000 5.103 0.155 1.00 0.00 O ATOM 284 CB ASP A 19 16.340 6.807 2.198 1.00 0.00 C ATOM 285 CG ASP A 19 17.679 6.539 2.850 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.408 7.514 3.134 1.00 0.00 O ATOM 287 OD2 ASP A 19 17.997 5.362 3.112 1.00 0.00 O ATOM 0 H ASP A 19 15.227 7.890 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 19 17.148 7.573 0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.955 7.763 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.631 6.041 2.511 1.00 0.00 H new ATOM 292 N GLY A 20 15.842 4.706 -0.294 1.00 0.00 N ATOM 293 CA GLY A 20 16.016 3.290 -0.513 1.00 0.00 C ATOM 294 C GLY A 20 15.208 2.526 0.512 1.00 0.00 C ATOM 295 O GLY A 20 15.261 1.298 0.595 1.00 0.00 O ATOM 0 H GLY A 20 14.912 5.058 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.694 3.023 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.070 3.024 -0.434 1.00 0.00 H new ATOM 299 N LYS A 21 14.473 3.291 1.314 1.00 0.00 N ATOM 300 CA LYS A 21 13.624 2.753 2.359 1.00 0.00 C ATOM 301 C LYS A 21 12.159 2.935 1.973 1.00 0.00 C ATOM 302 O LYS A 21 11.837 3.758 1.115 1.00 0.00 O ATOM 303 CB LYS A 21 13.901 3.479 3.678 1.00 0.00 C ATOM 304 CG LYS A 21 15.382 3.670 3.976 1.00 0.00 C ATOM 305 CD LYS A 21 15.785 2.975 5.265 1.00 0.00 C ATOM 306 CE LYS A 21 17.291 2.770 5.359 1.00 0.00 C ATOM 307 NZ LYS A 21 18.035 4.055 5.399 1.00 0.00 N ATOM 0 H LYS A 21 14.453 4.309 1.252 1.00 0.00 H new ATOM 0 HA LYS A 21 13.837 1.691 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.416 4.455 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.445 2.917 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.974 3.277 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.605 4.734 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.446 3.566 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.284 2.009 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.521 2.192 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.629 2.184 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.943 3.915 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.210 4.385 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.473 4.766 5.910 1.00 0.00 H new ATOM 321 N ILE A 22 11.279 2.181 2.607 1.00 0.00 N ATOM 322 CA ILE A 22 9.857 2.264 2.315 1.00 0.00 C ATOM 323 C ILE A 22 9.132 2.995 3.443 1.00 0.00 C ATOM 324 O ILE A 22 9.538 2.914 4.605 1.00 0.00 O ATOM 325 CB ILE A 22 9.242 0.857 2.112 1.00 0.00 C ATOM 326 CG1 ILE A 22 10.161 -0.003 1.241 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.864 0.962 1.469 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.652 -1.411 1.024 1.00 0.00 C ATOM 0 H ILE A 22 11.523 1.503 3.329 1.00 0.00 H new ATOM 0 HA ILE A 22 9.735 2.823 1.387 1.00 0.00 H new ATOM 0 HB ILE A 22 9.136 0.385 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.287 0.481 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.146 -0.050 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.448 -0.037 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.206 1.546 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.951 1.452 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.356 -1.960 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.553 -1.914 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.680 -1.375 0.532 1.00 0.00 H new ATOM 340 N LEU A 23 8.084 3.724 3.088 1.00 0.00 N ATOM 341 CA LEU A 23 7.314 4.506 4.049 1.00 0.00 C ATOM 342 C LEU A 23 6.207 3.668 4.688 1.00 0.00 C ATOM 343 O LEU A 23 5.294 3.198 4.009 1.00 0.00 O ATOM 344 CB LEU A 23 6.703 5.725 3.351 1.00 0.00 C ATOM 345 CG LEU A 23 5.911 6.688 4.239 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.821 7.333 5.272 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.226 7.750 3.383 1.00 0.00 C ATOM 0 H LEU A 23 7.743 3.791 2.129 1.00 0.00 H new ATOM 0 HA LEU A 23 7.990 4.833 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.507 6.284 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.045 5.371 2.558 1.00 0.00 H new ATOM 0 HG LEU A 23 5.144 6.124 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.240 8.014 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.266 6.560 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.610 7.888 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.666 8.429 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.978 8.312 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.544 7.268 2.682 1.00 0.00 H new ATOM 359 N LEU A 24 6.308 3.490 5.994 1.00 0.00 N ATOM 360 CA LEU A 24 5.296 2.771 6.762 1.00 0.00 C ATOM 361 C LEU A 24 4.558 3.736 7.681 1.00 0.00 C ATOM 362 O LEU A 24 5.174 4.572 8.342 1.00 0.00 O ATOM 363 CB LEU A 24 5.921 1.639 7.589 1.00 0.00 C ATOM 364 CG LEU A 24 6.407 0.409 6.804 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.605 0.733 5.934 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.742 -0.726 7.755 1.00 0.00 C ATOM 0 H LEU A 24 7.088 3.836 6.553 1.00 0.00 H new ATOM 0 HA LEU A 24 4.592 2.327 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.766 2.047 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.188 1.308 8.324 1.00 0.00 H new ATOM 0 HG LEU A 24 5.595 0.098 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.917 -0.162 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.336 1.510 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.425 1.085 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.084 -1.589 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.529 -0.408 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.854 -0.997 8.325 1.00 0.00 H new ATOM 378 N ALA A 25 3.239 3.620 7.714 1.00 0.00 N ATOM 379 CA ALA A 25 2.421 4.480 8.553 1.00 0.00 C ATOM 380 C ALA A 25 1.752 3.666 9.648 1.00 0.00 C ATOM 381 O ALA A 25 1.018 2.724 9.368 1.00 0.00 O ATOM 382 CB ALA A 25 1.382 5.210 7.716 1.00 0.00 C ATOM 0 H ALA A 25 2.713 2.938 7.168 1.00 0.00 H new ATOM 0 HA ALA A 25 3.065 5.224 9.021 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.779 5.849 8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.883 5.821 6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.738 4.483 7.221 1.00 0.00 H new ATOM 388 N GLN A 26 2.021 4.025 10.892 1.00 0.00 N ATOM 389 CA GLN A 26 1.507 3.269 12.028 1.00 0.00 C ATOM 390 C GLN A 26 -0.009 3.388 12.164 1.00 0.00 C ATOM 391 O GLN A 26 -0.551 4.479 12.367 1.00 0.00 O ATOM 392 CB GLN A 26 2.191 3.718 13.321 1.00 0.00 C ATOM 393 CG GLN A 26 1.749 2.933 14.544 1.00 0.00 C ATOM 394 CD GLN A 26 2.599 3.228 15.760 1.00 0.00 C ATOM 395 OE1 GLN A 26 2.316 4.149 16.520 1.00 0.00 O ATOM 396 NE2 GLN A 26 3.641 2.438 15.957 1.00 0.00 N ATOM 0 H GLN A 26 2.591 4.833 11.143 1.00 0.00 H new ATOM 0 HA GLN A 26 1.735 2.219 11.845 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.270 3.618 13.205 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.984 4.776 13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.708 3.169 14.766 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.794 1.867 14.323 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.840 1.684 15.300 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.245 2.583 16.766 1.00 0.00 H new ATOM 520 N GLY A 35 0.033 0.021 17.323 1.00 0.00 N ATOM 521 CA GLY A 35 1.475 -0.160 17.234 1.00 0.00 C ATOM 522 C GLY A 35 1.910 -0.774 15.918 1.00 0.00 C ATOM 523 O GLY A 35 3.093 -0.757 15.571 1.00 0.00 O ATOM 0 HA2 GLY A 35 1.966 0.805 17.359 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.808 -0.796 18.054 1.00 0.00 H new ATOM 527 N LEU A 36 0.942 -1.313 15.193 1.00 0.00 N ATOM 528 CA LEU A 36 1.176 -1.946 13.903 1.00 0.00 C ATOM 529 C LEU A 36 1.364 -0.899 12.815 1.00 0.00 C ATOM 530 O LEU A 36 0.905 0.233 12.948 1.00 0.00 O ATOM 531 CB LEU A 36 -0.007 -2.857 13.547 1.00 0.00 C ATOM 532 CG LEU A 36 0.007 -4.264 14.162 1.00 0.00 C ATOM 533 CD1 LEU A 36 0.366 -4.235 15.640 1.00 0.00 C ATOM 534 CD2 LEU A 36 -1.351 -4.906 13.977 1.00 0.00 C ATOM 0 H LEU A 36 -0.035 -1.324 15.485 1.00 0.00 H new ATOM 0 HA LEU A 36 2.086 -2.542 13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.927 -2.359 13.854 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.046 -2.958 12.462 1.00 0.00 H new ATOM 0 HG LEU A 36 0.772 -4.847 13.650 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.364 -5.251 16.035 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.357 -3.799 15.765 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.366 -3.634 16.180 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.344 -5.905 14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.110 -4.300 14.471 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.579 -4.976 12.913 1.00 0.00 H new ATOM 546 N TRP A 37 2.050 -1.278 11.752 1.00 0.00 N ATOM 547 CA TRP A 37 2.304 -0.376 10.640 1.00 0.00 C ATOM 548 C TRP A 37 1.598 -0.875 9.384 1.00 0.00 C ATOM 549 O TRP A 37 1.482 -2.083 9.173 1.00 0.00 O ATOM 550 CB TRP A 37 3.809 -0.258 10.383 1.00 0.00 C ATOM 551 CG TRP A 37 4.585 0.182 11.590 1.00 0.00 C ATOM 552 CD1 TRP A 37 5.006 -0.605 12.622 1.00 0.00 C ATOM 553 CD2 TRP A 37 5.033 1.510 11.890 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.678 0.151 13.550 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.710 1.453 13.123 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.926 2.740 11.240 1.00 0.00 C ATOM 557 CZ2 TRP A 37 6.277 2.579 13.715 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.488 3.857 11.827 1.00 0.00 C ATOM 559 CH2 TRP A 37 6.155 3.771 13.055 1.00 0.00 C ATOM 0 H TRP A 37 2.444 -2.211 11.634 1.00 0.00 H new ATOM 0 HA TRP A 37 1.914 0.609 10.897 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.190 -1.222 10.047 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.978 0.451 9.573 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.835 -1.669 12.698 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.087 -0.199 14.416 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.412 2.817 10.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.794 2.513 14.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.412 4.813 11.330 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.581 4.663 13.490 1.00 0.00 H new ATOM 570 N GLU A 38 1.128 0.054 8.565 1.00 0.00 N ATOM 571 CA GLU A 38 0.450 -0.288 7.322 1.00 0.00 C ATOM 572 C GLU A 38 0.997 0.568 6.187 1.00 0.00 C ATOM 573 O GLU A 38 1.567 1.642 6.423 1.00 0.00 O ATOM 574 CB GLU A 38 -1.068 -0.086 7.449 1.00 0.00 C ATOM 575 CG GLU A 38 -1.463 1.322 7.865 1.00 0.00 C ATOM 576 CD GLU A 38 -2.959 1.581 7.797 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.697 1.096 8.676 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.393 2.330 6.891 1.00 0.00 O ATOM 0 H GLU A 38 1.204 1.056 8.740 1.00 0.00 H new ATOM 0 HA GLU A 38 0.635 -1.340 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.538 -0.319 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.460 -0.795 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.118 1.501 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.949 2.039 7.224 1.00 0.00 H new ATOM 585 N PHE A 39 0.853 0.084 4.967 1.00 0.00 N ATOM 586 CA PHE A 39 1.249 0.849 3.801 1.00 0.00 C ATOM 587 C PHE A 39 0.144 1.821 3.424 1.00 0.00 C ATOM 588 O PHE A 39 -0.995 1.421 3.185 1.00 0.00 O ATOM 589 CB PHE A 39 1.585 -0.072 2.625 1.00 0.00 C ATOM 590 CG PHE A 39 2.919 -0.726 2.741 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.253 -1.453 3.864 1.00 0.00 C ATOM 592 CD2 PHE A 39 3.840 -0.608 1.722 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.483 -2.057 3.970 1.00 0.00 C ATOM 594 CE2 PHE A 39 5.071 -1.209 1.819 1.00 0.00 C ATOM 595 CZ PHE A 39 5.397 -1.938 2.945 1.00 0.00 C ATOM 0 H PHE A 39 0.464 -0.836 4.759 1.00 0.00 H new ATOM 0 HA PHE A 39 2.149 1.413 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.818 -0.842 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.552 0.506 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.540 -1.549 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.591 -0.038 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.733 -2.624 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.784 -1.111 1.014 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.364 -2.413 3.023 1.00 0.00 H new ATOM 605 N ALA A 40 0.486 3.101 3.390 1.00 0.00 N ATOM 606 CA ALA A 40 -0.486 4.150 3.120 1.00 0.00 C ATOM 607 C ALA A 40 -1.171 3.935 1.775 1.00 0.00 C ATOM 608 O ALA A 40 -0.559 3.445 0.828 1.00 0.00 O ATOM 609 CB ALA A 40 0.187 5.510 3.164 1.00 0.00 C ATOM 0 H ALA A 40 1.435 3.439 3.547 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.253 4.111 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.550 6.287 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.620 5.670 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.975 5.551 2.412 1.00 0.00 H new ATOM 615 N GLY A 41 -2.436 4.314 1.695 1.00 0.00 N ATOM 616 CA GLY A 41 -3.203 4.093 0.492 1.00 0.00 C ATOM 617 C GLY A 41 -4.668 4.374 0.717 1.00 0.00 C ATOM 618 O GLY A 41 -5.016 5.349 1.381 1.00 0.00 O ATOM 0 H GLY A 41 -2.947 4.774 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.826 4.734 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.075 3.063 0.160 1.00 0.00 H new ATOM 622 N GLY A 42 -5.522 3.511 0.194 1.00 0.00 N ATOM 623 CA GLY A 42 -6.947 3.700 0.357 1.00 0.00 C ATOM 624 C GLY A 42 -7.759 2.807 -0.552 1.00 0.00 C ATOM 625 O GLY A 42 -7.302 1.744 -0.963 1.00 0.00 O ATOM 0 H GLY A 42 -5.255 2.684 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.220 3.502 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.197 4.742 0.155 1.00 0.00 H new ATOM 629 N LYS A 43 -8.947 3.262 -0.897 1.00 0.00 N ATOM 630 CA LYS A 43 -9.862 2.469 -1.701 1.00 0.00 C ATOM 631 C LYS A 43 -10.067 3.129 -3.055 1.00 0.00 C ATOM 632 O LYS A 43 -9.960 4.348 -3.180 1.00 0.00 O ATOM 633 CB LYS A 43 -11.207 2.287 -0.980 1.00 0.00 C ATOM 634 CG LYS A 43 -12.206 1.420 -1.734 1.00 0.00 C ATOM 635 CD LYS A 43 -13.495 1.210 -0.946 1.00 0.00 C ATOM 636 CE LYS A 43 -14.516 2.318 -1.184 1.00 0.00 C ATOM 637 NZ LYS A 43 -14.030 3.664 -0.767 1.00 0.00 N ATOM 0 H LYS A 43 -9.304 4.180 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.426 1.482 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.025 1.844 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.651 3.268 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.439 1.886 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.753 0.453 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.934 0.251 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.262 1.158 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.774 2.344 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.430 2.084 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.841 4.258 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.389 3.565 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.520 4.109 -1.557 1.00 0.00 H new ATOM 651 N VAL A 44 -10.361 2.320 -4.058 1.00 0.00 N ATOM 652 CA VAL A 44 -10.574 2.821 -5.403 1.00 0.00 C ATOM 653 C VAL A 44 -12.063 2.968 -5.677 1.00 0.00 C ATOM 654 O VAL A 44 -12.812 1.991 -5.622 1.00 0.00 O ATOM 655 CB VAL A 44 -9.957 1.881 -6.463 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.146 2.441 -7.866 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.484 1.647 -6.174 1.00 0.00 C ATOM 0 H VAL A 44 -10.458 1.309 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.084 3.792 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.476 0.924 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.703 1.760 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.210 2.550 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.660 3.414 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.066 0.983 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.954 2.599 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.374 1.191 -5.190 1.00 0.00 H new ATOM 667 N GLU A 45 -12.493 4.189 -5.949 1.00 0.00 N ATOM 668 CA GLU A 45 -13.872 4.435 -6.318 1.00 0.00 C ATOM 669 C GLU A 45 -14.037 4.165 -7.811 1.00 0.00 C ATOM 670 O GLU A 45 -13.133 4.450 -8.594 1.00 0.00 O ATOM 671 CB GLU A 45 -14.266 5.874 -5.971 1.00 0.00 C ATOM 672 CG GLU A 45 -15.358 5.983 -4.911 1.00 0.00 C ATOM 673 CD GLU A 45 -15.041 5.214 -3.641 1.00 0.00 C ATOM 674 OE1 GLU A 45 -14.087 5.589 -2.923 1.00 0.00 O ATOM 675 OE2 GLU A 45 -15.757 4.234 -3.349 1.00 0.00 O ATOM 0 H GLU A 45 -11.906 5.023 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.531 3.770 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.382 6.407 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.604 6.376 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.510 7.033 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.296 5.614 -5.326 1.00 0.00 H new ATOM 682 N PRO A 46 -15.188 3.611 -8.225 1.00 0.00 N ATOM 683 CA PRO A 46 -15.415 3.179 -9.614 1.00 0.00 C ATOM 684 C PRO A 46 -15.294 4.306 -10.645 1.00 0.00 C ATOM 685 O PRO A 46 -15.332 4.056 -11.848 1.00 0.00 O ATOM 686 CB PRO A 46 -16.847 2.626 -9.597 1.00 0.00 C ATOM 687 CG PRO A 46 -17.472 3.186 -8.364 1.00 0.00 C ATOM 688 CD PRO A 46 -16.359 3.347 -7.373 1.00 0.00 C ATOM 0 HA PRO A 46 -14.658 2.456 -9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.396 2.929 -10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.847 1.536 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.952 4.143 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.243 2.518 -7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.549 4.169 -6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.224 2.450 -6.769 1.00 0.00 H new ATOM 696 N ASP A 47 -15.128 5.537 -10.183 1.00 0.00 N ATOM 697 CA ASP A 47 -15.048 6.677 -11.084 1.00 0.00 C ATOM 698 C ASP A 47 -13.682 7.348 -11.013 1.00 0.00 C ATOM 699 O ASP A 47 -13.492 8.451 -11.529 1.00 0.00 O ATOM 700 CB ASP A 47 -16.161 7.681 -10.785 1.00 0.00 C ATOM 701 CG ASP A 47 -17.508 7.197 -11.280 1.00 0.00 C ATOM 702 OD1 ASP A 47 -17.719 7.177 -12.511 1.00 0.00 O ATOM 703 OD2 ASP A 47 -18.359 6.819 -10.447 1.00 0.00 O ATOM 0 H ASP A 47 -15.046 5.771 -9.194 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.182 6.307 -12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.211 7.857 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.924 8.636 -11.254 1.00 0.00 H new ATOM 708 N GLU A 48 -12.730 6.677 -10.383 1.00 0.00 N ATOM 709 CA GLU A 48 -11.353 7.143 -10.367 1.00 0.00 C ATOM 710 C GLU A 48 -10.409 5.983 -10.638 1.00 0.00 C ATOM 711 O GLU A 48 -10.781 4.820 -10.481 1.00 0.00 O ATOM 712 CB GLU A 48 -11.014 7.834 -9.041 1.00 0.00 C ATOM 713 CG GLU A 48 -11.152 6.964 -7.810 1.00 0.00 C ATOM 714 CD GLU A 48 -11.058 7.784 -6.542 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.938 8.029 -6.061 1.00 0.00 O ATOM 716 OE2 GLU A 48 -12.111 8.214 -6.029 1.00 0.00 O ATOM 0 H GLU A 48 -12.887 5.806 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.230 7.884 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.990 8.203 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.661 8.704 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.108 6.441 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.372 6.202 -7.811 1.00 0.00 H new ATOM 723 N SER A 49 -9.206 6.302 -11.079 1.00 0.00 N ATOM 724 CA SER A 49 -8.233 5.286 -11.436 1.00 0.00 C ATOM 725 C SER A 49 -7.456 4.818 -10.213 1.00 0.00 C ATOM 726 O SER A 49 -7.399 5.515 -9.199 1.00 0.00 O ATOM 727 CB SER A 49 -7.282 5.838 -12.493 1.00 0.00 C ATOM 728 OG SER A 49 -7.995 6.268 -13.638 1.00 0.00 O ATOM 0 H SER A 49 -8.878 7.261 -11.199 1.00 0.00 H new ATOM 0 HA SER A 49 -8.762 4.424 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.715 6.671 -12.078 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.561 5.071 -12.775 1.00 0.00 H new ATOM 0 HG SER A 49 -7.366 6.620 -14.302 1.00 0.00 H new ATOM 734 N GLN A 50 -6.853 3.641 -10.323 1.00 0.00 N ATOM 735 CA GLN A 50 -6.075 3.057 -9.235 1.00 0.00 C ATOM 736 C GLN A 50 -4.954 3.998 -8.802 1.00 0.00 C ATOM 737 O GLN A 50 -4.713 4.181 -7.608 1.00 0.00 O ATOM 738 CB GLN A 50 -5.494 1.711 -9.672 1.00 0.00 C ATOM 739 CG GLN A 50 -6.554 0.723 -10.128 1.00 0.00 C ATOM 740 CD GLN A 50 -5.968 -0.496 -10.811 1.00 0.00 C ATOM 741 OE1 GLN A 50 -4.896 -0.434 -11.412 1.00 0.00 O ATOM 742 NE2 GLN A 50 -6.682 -1.605 -10.743 1.00 0.00 N ATOM 0 H GLN A 50 -6.888 3.066 -11.164 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.737 2.901 -8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.785 1.875 -10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.935 1.277 -8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.141 0.404 -9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.239 1.223 -10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.566 -1.612 -10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.350 -2.454 -11.200 1.00 0.00 H new ATOM 751 N ARG A 51 -4.279 4.601 -9.776 1.00 0.00 N ATOM 752 CA ARG A 51 -3.210 5.550 -9.480 1.00 0.00 C ATOM 753 C ARG A 51 -3.787 6.826 -8.891 1.00 0.00 C ATOM 754 O ARG A 51 -3.195 7.430 -8.001 1.00 0.00 O ATOM 755 CB ARG A 51 -2.405 5.901 -10.734 1.00 0.00 C ATOM 756 CG ARG A 51 -1.863 4.702 -11.489 1.00 0.00 C ATOM 757 CD ARG A 51 -0.945 5.139 -12.617 1.00 0.00 C ATOM 758 NE ARG A 51 -0.535 4.020 -13.462 1.00 0.00 N ATOM 759 CZ ARG A 51 0.688 3.881 -13.974 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.639 4.768 -13.694 1.00 0.00 N ATOM 761 NH2 ARG A 51 0.963 2.850 -14.759 1.00 0.00 N ATOM 0 H ARG A 51 -4.451 4.451 -10.770 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.544 5.074 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.037 6.482 -11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.571 6.542 -10.448 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.319 4.052 -10.804 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.690 4.118 -11.894 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.453 5.886 -13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.060 5.618 -12.198 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.227 3.301 -13.673 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.434 5.560 -13.085 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.573 4.656 -14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.239 2.163 -14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.898 2.743 -15.151 1.00 0.00 H new ATOM 775 N GLN A 52 -4.963 7.210 -9.373 1.00 0.00 N ATOM 776 CA GLN A 52 -5.590 8.458 -8.963 1.00 0.00 C ATOM 777 C GLN A 52 -6.012 8.369 -7.505 1.00 0.00 C ATOM 778 O GLN A 52 -5.804 9.299 -6.726 1.00 0.00 O ATOM 779 CB GLN A 52 -6.810 8.752 -9.843 1.00 0.00 C ATOM 780 CG GLN A 52 -7.500 10.069 -9.520 1.00 0.00 C ATOM 781 CD GLN A 52 -6.646 11.276 -9.852 1.00 0.00 C ATOM 782 OE1 GLN A 52 -5.876 11.757 -9.024 1.00 0.00 O ATOM 783 NE2 GLN A 52 -6.782 11.775 -11.070 1.00 0.00 N ATOM 0 H GLN A 52 -5.502 6.672 -10.051 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.870 9.269 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.498 8.763 -10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.529 7.940 -9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.437 10.129 -10.074 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.755 10.090 -8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.433 11.345 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.236 12.589 -11.351 1.00 0.00 H new ATOM 792 N ALA A 53 -6.586 7.229 -7.145 1.00 0.00 N ATOM 793 CA ALA A 53 -7.031 6.991 -5.783 1.00 0.00 C ATOM 794 C ALA A 53 -5.869 7.106 -4.807 1.00 0.00 C ATOM 795 O ALA A 53 -5.980 7.778 -3.787 1.00 0.00 O ATOM 796 CB ALA A 53 -7.699 5.629 -5.681 1.00 0.00 C ATOM 0 H ALA A 53 -6.754 6.451 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.763 7.753 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.029 5.461 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.560 5.595 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.988 4.853 -5.965 1.00 0.00 H new ATOM 802 N LEU A 54 -4.743 6.480 -5.135 1.00 0.00 N ATOM 803 CA LEU A 54 -3.552 6.581 -4.302 1.00 0.00 C ATOM 804 C LEU A 54 -3.111 8.027 -4.171 1.00 0.00 C ATOM 805 O LEU A 54 -2.860 8.509 -3.071 1.00 0.00 O ATOM 806 CB LEU A 54 -2.406 5.750 -4.880 1.00 0.00 C ATOM 807 CG LEU A 54 -2.477 4.257 -4.587 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.286 3.537 -5.200 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.541 4.027 -3.085 1.00 0.00 C ATOM 0 H LEU A 54 -4.631 5.901 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.806 6.193 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.385 5.892 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.465 6.137 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.382 3.849 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.353 2.471 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.287 3.686 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.363 3.937 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.592 2.957 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.650 4.444 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.427 4.515 -2.680 1.00 0.00 H new ATOM 821 N VAL A 55 -3.060 8.718 -5.299 1.00 0.00 N ATOM 822 CA VAL A 55 -2.588 10.093 -5.333 1.00 0.00 C ATOM 823 C VAL A 55 -3.436 10.989 -4.436 1.00 0.00 C ATOM 824 O VAL A 55 -2.901 11.792 -3.668 1.00 0.00 O ATOM 825 CB VAL A 55 -2.574 10.650 -6.775 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.339 12.152 -6.775 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.503 9.952 -7.601 1.00 0.00 C ATOM 0 H VAL A 55 -3.341 8.347 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.565 10.090 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.549 10.456 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.334 12.519 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.135 12.645 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.379 12.370 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.505 10.354 -8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.527 10.119 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.710 8.882 -7.635 1.00 0.00 H new ATOM 837 N ARG A 56 -4.754 10.836 -4.506 1.00 0.00 N ATOM 838 CA ARG A 56 -5.644 11.671 -3.716 1.00 0.00 C ATOM 839 C ARG A 56 -5.666 11.230 -2.252 1.00 0.00 C ATOM 840 O ARG A 56 -5.625 12.071 -1.355 1.00 0.00 O ATOM 841 CB ARG A 56 -7.057 11.716 -4.326 1.00 0.00 C ATOM 842 CG ARG A 56 -7.770 10.377 -4.464 1.00 0.00 C ATOM 843 CD ARG A 56 -8.698 10.101 -3.291 1.00 0.00 C ATOM 844 NE ARG A 56 -9.803 9.226 -3.679 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.807 8.885 -2.872 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.769 9.195 -1.583 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.834 8.199 -3.353 1.00 0.00 N ATOM 0 H ARG A 56 -5.223 10.149 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.254 12.688 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.675 12.372 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.990 12.173 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.344 10.366 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.031 9.579 -4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.134 9.640 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.094 11.042 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.806 8.853 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.967 9.698 -1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.542 8.930 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.854 7.934 -4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.604 7.936 -2.738 1.00 0.00 H new ATOM 861 N GLU A 57 -5.707 9.922 -2.007 1.00 0.00 N ATOM 862 CA GLU A 57 -5.702 9.409 -0.636 1.00 0.00 C ATOM 863 C GLU A 57 -4.422 9.800 0.096 1.00 0.00 C ATOM 864 O GLU A 57 -4.472 10.237 1.241 1.00 0.00 O ATOM 865 CB GLU A 57 -5.878 7.886 -0.611 1.00 0.00 C ATOM 866 CG GLU A 57 -7.266 7.414 -1.026 1.00 0.00 C ATOM 867 CD GLU A 57 -8.352 7.798 -0.037 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.629 9.007 0.112 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.957 6.887 0.571 1.00 0.00 O ATOM 0 H GLU A 57 -5.744 9.204 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.548 9.862 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.139 7.435 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.668 7.523 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.508 7.834 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.255 6.330 -1.140 1.00 0.00 H new ATOM 876 N LEU A 58 -3.276 9.668 -0.564 1.00 0.00 N ATOM 877 CA LEU A 58 -2.014 10.059 0.058 1.00 0.00 C ATOM 878 C LEU A 58 -1.985 11.563 0.268 1.00 0.00 C ATOM 879 O LEU A 58 -1.418 12.048 1.233 1.00 0.00 O ATOM 880 CB LEU A 58 -0.806 9.655 -0.780 1.00 0.00 C ATOM 881 CG LEU A 58 -0.750 8.187 -1.190 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.513 7.905 -1.984 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.837 7.279 0.023 1.00 0.00 C ATOM 0 H LEU A 58 -3.193 9.300 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.954 9.537 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.791 10.267 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.098 9.892 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.611 7.979 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.537 6.853 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.524 8.524 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.386 8.135 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.795 6.238 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.003 7.486 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.776 7.460 0.546 1.00 0.00 H new ATOM 895 N ARG A 59 -2.587 12.299 -0.654 1.00 0.00 N ATOM 896 CA ARG A 59 -2.697 13.745 -0.526 1.00 0.00 C ATOM 897 C ARG A 59 -3.496 14.128 0.717 1.00 0.00 C ATOM 898 O ARG A 59 -3.213 15.138 1.361 1.00 0.00 O ATOM 899 CB ARG A 59 -3.347 14.338 -1.777 1.00 0.00 C ATOM 900 CG ARG A 59 -3.561 15.837 -1.693 1.00 0.00 C ATOM 901 CD ARG A 59 -4.070 16.402 -3.009 1.00 0.00 C ATOM 902 NE ARG A 59 -4.139 17.860 -2.980 1.00 0.00 N ATOM 903 CZ ARG A 59 -3.456 18.653 -3.803 1.00 0.00 C ATOM 904 NH1 ARG A 59 -2.709 18.130 -4.767 1.00 0.00 N ATOM 905 NH2 ARG A 59 -3.538 19.970 -3.676 1.00 0.00 N ATOM 0 H ARG A 59 -3.008 11.918 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.692 14.153 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.722 14.116 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.307 13.850 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.275 16.060 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.624 16.325 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.414 16.085 -3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.059 15.995 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.747 18.297 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.657 17.118 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.187 18.740 -5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.125 20.377 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.014 20.577 -4.307 1.00 0.00 H new ATOM 919 N GLU A 60 -4.487 13.322 1.055 1.00 0.00 N ATOM 920 CA GLU A 60 -5.315 13.609 2.212 1.00 0.00 C ATOM 921 C GLU A 60 -4.720 13.018 3.486 1.00 0.00 C ATOM 922 O GLU A 60 -4.744 13.648 4.541 1.00 0.00 O ATOM 923 CB GLU A 60 -6.744 13.103 2.000 1.00 0.00 C ATOM 924 CG GLU A 60 -7.396 13.647 0.739 1.00 0.00 C ATOM 925 CD GLU A 60 -8.908 13.565 0.778 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.527 14.248 1.626 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.489 12.818 -0.035 1.00 0.00 O ATOM 0 H GLU A 60 -4.736 12.472 0.550 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.347 14.692 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.733 12.014 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.351 13.379 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.096 14.686 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.029 13.091 -0.123 1.00 0.00 H new ATOM 934 N GLU A 61 -4.178 11.814 3.385 1.00 0.00 N ATOM 935 CA GLU A 61 -3.617 11.138 4.547 1.00 0.00 C ATOM 936 C GLU A 61 -2.209 11.604 4.846 1.00 0.00 C ATOM 937 O GLU A 61 -1.905 11.976 5.980 1.00 0.00 O ATOM 938 CB GLU A 61 -3.623 9.624 4.364 1.00 0.00 C ATOM 939 CG GLU A 61 -4.954 9.011 4.666 1.00 0.00 C ATOM 940 CD GLU A 61 -5.260 9.205 6.123 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.438 8.757 6.958 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.271 9.858 6.445 1.00 0.00 O ATOM 0 H GLU A 61 -4.114 11.286 2.515 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.253 11.397 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.342 9.385 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.868 9.181 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.729 9.472 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.944 7.949 4.421 1.00 0.00 H new ATOM 949 N LEU A 62 -1.350 11.583 3.839 1.00 0.00 N ATOM 950 CA LEU A 62 0.044 11.912 4.049 1.00 0.00 C ATOM 951 C LEU A 62 0.315 13.365 3.689 1.00 0.00 C ATOM 952 O LEU A 62 1.299 13.946 4.130 1.00 0.00 O ATOM 953 CB LEU A 62 0.933 10.992 3.210 1.00 0.00 C ATOM 954 CG LEU A 62 0.656 9.495 3.363 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.581 8.699 2.457 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.820 9.060 4.813 1.00 0.00 C ATOM 0 H LEU A 62 -1.594 11.343 2.878 1.00 0.00 H new ATOM 0 HA LEU A 62 0.275 11.768 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.816 11.261 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.974 11.181 3.474 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.375 9.301 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.376 7.635 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.413 8.990 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.617 8.901 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.618 7.992 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.839 9.264 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.120 9.612 5.440 1.00 0.00 H new ATOM 968 N GLY A 63 -0.549 13.945 2.870 1.00 0.00 N ATOM 969 CA GLY A 63 -0.406 15.344 2.541 1.00 0.00 C ATOM 970 C GLY A 63 0.622 15.540 1.450 1.00 0.00 C ATOM 971 O GLY A 63 1.272 16.584 1.372 1.00 0.00 O ATOM 0 H GLY A 63 -1.340 13.475 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.366 15.745 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.110 15.902 3.429 1.00 0.00 H new ATOM 975 N ILE A 64 0.775 14.523 0.608 1.00 0.00 N ATOM 976 CA ILE A 64 1.765 14.558 -0.456 1.00 0.00 C ATOM 977 C ILE A 64 1.130 14.280 -1.811 1.00 0.00 C ATOM 978 O ILE A 64 0.179 13.504 -1.927 1.00 0.00 O ATOM 979 CB ILE A 64 2.910 13.542 -0.231 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.374 12.105 -0.140 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.697 13.897 1.018 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.466 11.065 0.033 1.00 0.00 C ATOM 0 H ILE A 64 0.224 13.665 0.644 1.00 0.00 H new ATOM 0 HA ILE A 64 2.183 15.565 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 64 3.577 13.594 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.681 12.036 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.807 11.879 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.498 13.172 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.124 14.894 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.034 13.880 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.018 10.073 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.147 11.107 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.019 11.267 0.951 1.00 0.00 H new ATOM 994 N GLU A 65 1.666 14.925 -2.831 1.00 0.00 N ATOM 995 CA GLU A 65 1.263 14.675 -4.200 1.00 0.00 C ATOM 996 C GLU A 65 2.167 13.603 -4.786 1.00 0.00 C ATOM 997 O GLU A 65 3.258 13.893 -5.278 1.00 0.00 O ATOM 998 CB GLU A 65 1.356 15.959 -5.025 1.00 0.00 C ATOM 999 CG GLU A 65 0.466 17.079 -4.514 1.00 0.00 C ATOM 1000 CD GLU A 65 0.666 18.371 -5.276 1.00 0.00 C ATOM 1001 OE1 GLU A 65 1.829 18.797 -5.424 1.00 0.00 O ATOM 1002 OE2 GLU A 65 -0.335 18.980 -5.704 1.00 0.00 O ATOM 0 H GLU A 65 2.391 15.635 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 65 0.228 14.335 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.390 16.303 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.088 15.737 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.577 16.773 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.672 17.249 -3.457 1.00 0.00 H new ATOM 1009 N ALA A 66 1.727 12.362 -4.694 1.00 0.00 N ATOM 1010 CA ALA A 66 2.555 11.232 -5.082 1.00 0.00 C ATOM 1011 C ALA A 66 2.499 10.979 -6.581 1.00 0.00 C ATOM 1012 O ALA A 66 1.523 11.323 -7.250 1.00 0.00 O ATOM 1013 CB ALA A 66 2.131 9.986 -4.322 1.00 0.00 C ATOM 0 H ALA A 66 0.799 12.109 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 66 3.587 11.475 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.758 9.146 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.241 10.158 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.089 9.759 -4.548 1.00 0.00 H new ATOM 1019 N THR A 67 3.557 10.378 -7.096 1.00 0.00 N ATOM 1020 CA THR A 67 3.625 9.999 -8.490 1.00 0.00 C ATOM 1021 C THR A 67 3.661 8.477 -8.604 1.00 0.00 C ATOM 1022 O THR A 67 4.680 7.845 -8.327 1.00 0.00 O ATOM 1023 CB THR A 67 4.870 10.612 -9.169 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.845 12.040 -9.026 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.924 10.253 -10.646 1.00 0.00 C ATOM 0 H THR A 67 4.390 10.141 -6.558 1.00 0.00 H new ATOM 0 HA THR A 67 2.740 10.381 -8.999 1.00 0.00 H new ATOM 0 HB THR A 67 5.756 10.205 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.637 12.426 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.811 10.699 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.967 9.169 -10.756 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.033 10.633 -11.146 1.00 0.00 H new ATOM 1033 N VAL A 68 2.532 7.894 -8.979 1.00 0.00 N ATOM 1034 CA VAL A 68 2.425 6.449 -9.091 1.00 0.00 C ATOM 1035 C VAL A 68 3.016 5.980 -10.411 1.00 0.00 C ATOM 1036 O VAL A 68 2.635 6.471 -11.476 1.00 0.00 O ATOM 1037 CB VAL A 68 0.962 5.980 -8.990 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.881 4.464 -9.045 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.316 6.509 -7.719 1.00 0.00 C ATOM 0 H VAL A 68 1.677 8.400 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 68 2.983 6.013 -8.262 1.00 0.00 H new ATOM 0 HB VAL A 68 0.414 6.381 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.161 4.152 -8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.300 4.111 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.446 4.039 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.717 6.166 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.865 6.141 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.337 7.599 -7.727 1.00 0.00 H new ATOM 1049 N GLY A 69 3.943 5.037 -10.342 1.00 0.00 N ATOM 1050 CA GLY A 69 4.630 4.599 -11.537 1.00 0.00 C ATOM 1051 C GLY A 69 4.460 3.119 -11.813 1.00 0.00 C ATOM 1052 O GLY A 69 3.546 2.713 -12.531 1.00 0.00 O ATOM 0 H GLY A 69 4.231 4.569 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.259 5.166 -12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.692 4.825 -11.441 1.00 0.00 H new ATOM 1056 N GLU A 70 5.339 2.313 -11.241 1.00 0.00 N ATOM 1057 CA GLU A 70 5.379 0.886 -11.535 1.00 0.00 C ATOM 1058 C GLU A 70 4.579 0.061 -10.530 1.00 0.00 C ATOM 1059 O GLU A 70 4.610 0.307 -9.323 1.00 0.00 O ATOM 1060 CB GLU A 70 6.834 0.412 -11.591 1.00 0.00 C ATOM 1061 CG GLU A 70 7.686 0.941 -10.453 1.00 0.00 C ATOM 1062 CD GLU A 70 9.135 0.526 -10.563 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.761 0.811 -11.601 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.657 -0.058 -9.595 1.00 0.00 O ATOM 0 H GLU A 70 6.039 2.623 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 70 4.909 0.734 -12.506 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.854 -0.678 -11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.273 0.724 -12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.625 2.029 -10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.282 0.584 -9.506 1.00 0.00 H new ATOM 1071 N TYR A 71 3.844 -0.904 -11.060 1.00 0.00 N ATOM 1072 CA TYR A 71 3.052 -1.833 -10.265 1.00 0.00 C ATOM 1073 C TYR A 71 3.931 -2.943 -9.684 1.00 0.00 C ATOM 1074 O TYR A 71 4.721 -3.557 -10.403 1.00 0.00 O ATOM 1075 CB TYR A 71 1.949 -2.413 -11.160 1.00 0.00 C ATOM 1076 CG TYR A 71 1.381 -3.737 -10.704 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.529 -3.817 -9.613 1.00 0.00 C ATOM 1078 CD2 TYR A 71 1.701 -4.910 -11.378 1.00 0.00 C ATOM 1079 CE1 TYR A 71 0.012 -5.033 -9.205 1.00 0.00 C ATOM 1080 CE2 TYR A 71 1.189 -6.126 -10.978 1.00 0.00 C ATOM 1081 CZ TYR A 71 0.346 -6.184 -9.893 1.00 0.00 C ATOM 1082 OH TYR A 71 -0.157 -7.400 -9.489 1.00 0.00 O ATOM 0 H TYR A 71 3.779 -1.067 -12.065 1.00 0.00 H new ATOM 0 HA TYR A 71 2.603 -1.309 -9.421 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.136 -1.689 -11.223 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.347 -2.534 -12.168 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.266 -2.918 -9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.363 -4.868 -12.230 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.650 -5.083 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.448 -7.027 -11.513 1.00 0.00 H new ATOM 0 HH TYR A 71 0.176 -8.105 -10.082 1.00 0.00 H new ATOM 1092 N VAL A 72 3.791 -3.197 -8.384 1.00 0.00 N ATOM 1093 CA VAL A 72 4.591 -4.223 -7.722 1.00 0.00 C ATOM 1094 C VAL A 72 3.865 -5.561 -7.691 1.00 0.00 C ATOM 1095 O VAL A 72 4.242 -6.499 -8.393 1.00 0.00 O ATOM 1096 CB VAL A 72 4.925 -3.822 -6.270 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.750 -4.901 -5.580 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.638 -2.480 -6.233 1.00 0.00 C ATOM 0 H VAL A 72 3.136 -2.710 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 72 5.510 -4.319 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 72 3.988 -3.721 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.971 -4.592 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.187 -5.834 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.683 -5.049 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.864 -2.216 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.565 -2.545 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.997 -1.715 -6.670 1.00 0.00 H new ATOM 1108 N ALA A 73 2.807 -5.641 -6.890 1.00 0.00 N ATOM 1109 CA ALA A 73 2.049 -6.880 -6.768 1.00 0.00 C ATOM 1110 C ALA A 73 0.631 -6.615 -6.289 1.00 0.00 C ATOM 1111 O ALA A 73 0.298 -5.503 -5.878 1.00 0.00 O ATOM 1112 CB ALA A 73 2.754 -7.842 -5.820 1.00 0.00 C ATOM 0 H ALA A 73 2.458 -4.870 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 73 1.991 -7.335 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.176 -8.762 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.748 -8.070 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.844 -7.382 -4.836 1.00 0.00 H new ATOM 1118 N SER A 74 -0.204 -7.637 -6.359 1.00 0.00 N ATOM 1119 CA SER A 74 -1.566 -7.545 -5.880 1.00 0.00 C ATOM 1120 C SER A 74 -1.915 -8.773 -5.052 1.00 0.00 C ATOM 1121 O SER A 74 -1.423 -9.873 -5.317 1.00 0.00 O ATOM 1122 CB SER A 74 -2.531 -7.388 -7.060 1.00 0.00 C ATOM 1123 OG SER A 74 -2.225 -8.304 -8.098 1.00 0.00 O ATOM 0 H SER A 74 0.044 -8.547 -6.747 1.00 0.00 H new ATOM 0 HA SER A 74 -1.660 -6.666 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.554 -7.548 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.478 -6.369 -7.443 1.00 0.00 H new ATOM 0 HG SER A 74 -1.622 -7.878 -8.742 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.747 -8.579 -4.042 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.145 -9.662 -3.161 1.00 0.00 C ATOM 1131 C HIS A 75 -4.649 -9.630 -2.949 1.00 0.00 C ATOM 1132 O HIS A 75 -5.226 -8.570 -2.697 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.421 -9.550 -1.814 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.725 -10.671 -0.863 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -2.224 -11.941 -1.016 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.475 -10.702 0.264 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.650 -12.706 -0.030 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.412 -11.979 0.766 1.00 0.00 N ATOM 0 H HIS A 75 -3.161 -7.676 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.870 -10.609 -3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.346 -9.520 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.693 -8.605 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -4.022 -9.874 0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.415 -13.752 0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.876 -12.310 1.612 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.281 -10.785 -3.057 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.707 -10.889 -2.812 1.00 0.00 C ATOM 1149 C GLN A 76 -6.978 -11.476 -1.439 1.00 0.00 C ATOM 1150 O GLN A 76 -6.267 -12.367 -0.975 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.401 -11.726 -3.889 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.710 -10.942 -5.152 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.537 -11.732 -6.146 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.766 -11.719 -6.098 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -7.873 -12.398 -7.074 1.00 0.00 N ATOM 0 H GLN A 76 -4.829 -11.663 -3.313 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.118 -9.880 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.768 -12.576 -4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.329 -12.130 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.244 -10.030 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.775 -10.639 -5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.853 -12.384 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.380 -12.926 -7.784 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.989 -10.937 -0.792 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.463 -11.430 0.485 1.00 0.00 C ATOM 1166 C ARG A 77 -9.929 -11.070 0.570 1.00 0.00 C ATOM 1167 O ARG A 77 -10.430 -10.383 -0.311 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.682 -10.801 1.649 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.860 -9.293 1.762 1.00 0.00 C ATOM 1170 CD ARG A 77 -6.962 -8.691 2.836 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.357 -9.084 4.191 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.318 -8.269 5.250 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -6.929 -7.002 5.111 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -7.673 -8.718 6.449 1.00 0.00 N ATOM 0 H ARG A 77 -8.512 -10.134 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.317 -12.508 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.000 -11.266 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.622 -11.025 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.637 -8.829 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.901 -9.067 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.932 -9.001 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.986 -7.604 2.756 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.682 -10.040 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.659 -6.649 4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.901 -6.385 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.976 -9.685 6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.643 -8.095 7.256 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.630 -11.517 1.583 1.00 0.00 N ATOM 1189 CA GLU A 78 -12.025 -11.145 1.700 1.00 0.00 C ATOM 1190 C GLU A 78 -12.292 -10.418 3.007 1.00 0.00 C ATOM 1191 O GLU A 78 -11.604 -10.625 4.009 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.943 -12.366 1.573 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.963 -13.243 2.807 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.999 -14.342 2.734 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -13.738 -15.380 2.087 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -15.078 -14.174 3.343 1.00 0.00 O ATOM 0 H GLU A 78 -10.273 -12.123 2.322 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.248 -10.466 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.957 -12.027 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.623 -12.963 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.978 -13.689 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.159 -12.624 3.683 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.282 -9.546 2.977 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.777 -8.913 4.176 1.00 0.00 C ATOM 1205 C VAL A 79 -15.236 -9.310 4.357 1.00 0.00 C ATOM 1206 O VAL A 79 -16.141 -8.704 3.779 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.615 -7.368 4.162 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.135 -6.751 2.871 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.302 -6.741 5.370 1.00 0.00 C ATOM 0 H VAL A 79 -13.761 -9.260 2.123 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.179 -9.258 5.019 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.547 -7.156 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.002 -5.670 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.582 -7.158 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.194 -6.983 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.176 -5.659 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.365 -6.983 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.858 -7.132 6.285 1.00 0.00 H new ATOM 1219 N SER A 80 -15.438 -10.370 5.130 1.00 0.00 N ATOM 1220 CA SER A 80 -16.760 -10.930 5.380 1.00 0.00 C ATOM 1221 C SER A 80 -17.587 -11.060 4.095 1.00 0.00 C ATOM 1222 O SER A 80 -18.549 -10.314 3.878 1.00 0.00 O ATOM 1223 CB SER A 80 -17.490 -10.089 6.423 1.00 0.00 C ATOM 1224 OG SER A 80 -16.726 -10.017 7.618 1.00 0.00 O ATOM 0 H SER A 80 -14.684 -10.868 5.604 1.00 0.00 H new ATOM 0 HA SER A 80 -16.629 -11.940 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.665 -9.086 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.467 -10.525 6.633 1.00 0.00 H new ATOM 0 HG SER A 80 -17.203 -9.474 8.279 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.198 -12.004 3.241 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.938 -12.266 2.017 1.00 0.00 C ATOM 1232 C GLY A 81 -17.554 -11.369 0.849 1.00 0.00 C ATOM 1233 O GLY A 81 -17.770 -11.733 -0.305 1.00 0.00 O ATOM 0 H GLY A 81 -16.378 -12.596 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.783 -13.305 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.003 -12.146 2.217 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.997 -10.199 1.131 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.617 -9.268 0.070 1.00 0.00 C ATOM 1239 C ARG A 82 -15.160 -9.473 -0.304 1.00 0.00 C ATOM 1240 O ARG A 82 -14.304 -9.563 0.565 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.844 -7.825 0.517 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.236 -7.577 1.063 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.407 -6.150 1.548 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.619 -5.997 2.351 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.109 -4.827 2.759 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.546 -3.688 2.365 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.180 -4.799 3.544 1.00 0.00 N ATOM 0 H ARG A 82 -16.798 -9.871 2.076 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.240 -9.463 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.111 -7.570 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.669 -7.159 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.973 -7.788 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.432 -8.266 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.539 -5.859 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.449 -5.477 0.692 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.123 -6.843 2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.735 -3.707 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.926 -2.795 2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.624 -5.671 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.558 -3.906 3.859 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.874 -9.523 -1.591 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.533 -9.854 -2.053 1.00 0.00 C ATOM 1263 C ILE A 83 -12.716 -8.587 -2.278 1.00 0.00 C ATOM 1264 O ILE A 83 -13.037 -7.776 -3.143 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.556 -10.708 -3.349 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.999 -12.149 -3.053 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -12.187 -10.713 -4.018 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -15.442 -12.292 -2.614 1.00 0.00 C ATOM 0 H ILE A 83 -15.547 -9.340 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.064 -10.451 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.278 -10.256 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.844 -12.753 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.355 -12.560 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.227 -11.318 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.904 -9.692 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.449 -11.133 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.663 -13.343 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.603 -11.720 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.100 -11.916 -3.398 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.673 -8.413 -1.484 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.819 -7.248 -1.603 1.00 0.00 C ATOM 1282 C ILE A 84 -9.631 -7.531 -2.514 1.00 0.00 C ATOM 1283 O ILE A 84 -9.005 -8.590 -2.442 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.291 -6.747 -0.243 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.991 -7.426 0.929 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.492 -5.252 -0.129 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.902 -6.612 2.201 1.00 0.00 C ATOM 0 H ILE A 84 -11.399 -9.066 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.445 -6.467 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.230 -6.995 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.039 -7.590 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.546 -8.407 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.116 -4.907 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.950 -4.750 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.554 -5.021 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.415 -7.138 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.855 -6.470 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.371 -5.641 2.045 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.328 -6.565 -3.356 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.245 -6.669 -4.305 1.00 0.00 C ATOM 1301 C HIS A 85 -7.234 -5.567 -4.024 1.00 0.00 C ATOM 1302 O HIS A 85 -7.452 -4.415 -4.391 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.800 -6.520 -5.722 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.915 -7.067 -6.799 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.903 -6.567 -8.079 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -7.043 -8.101 -6.793 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.069 -7.273 -8.817 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.531 -8.212 -8.061 1.00 0.00 N ATOM 0 H HIS A 85 -9.832 -5.679 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.758 -7.640 -4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.766 -7.022 -5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.979 -5.463 -5.919 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.453 -5.773 -8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.795 -8.724 -5.946 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.861 -7.110 -9.864 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.153 -5.901 -3.341 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.157 -4.899 -2.999 1.00 0.00 C ATOM 1319 C LEU A 86 -4.107 -4.773 -4.084 1.00 0.00 C ATOM 1320 O LEU A 86 -3.540 -5.768 -4.533 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.490 -5.199 -1.656 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.324 -4.838 -0.426 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.277 -5.964 -0.060 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.420 -4.485 0.742 1.00 0.00 C ATOM 0 H LEU A 86 -5.943 -6.845 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.683 -3.948 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.251 -6.262 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.545 -4.658 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.928 -3.963 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.857 -5.679 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.952 -6.155 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.707 -6.867 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.029 -4.231 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.785 -5.338 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.796 -3.633 0.474 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.870 -3.543 -4.505 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.870 -3.246 -5.518 1.00 0.00 C ATOM 1338 C HIS A 87 -1.717 -2.451 -4.923 1.00 0.00 C ATOM 1339 O HIS A 87 -1.892 -1.304 -4.523 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.496 -2.458 -6.673 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.182 -3.315 -7.689 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -5.552 -3.367 -7.848 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -3.667 -4.140 -8.630 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.841 -4.183 -8.842 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -4.715 -4.666 -9.332 1.00 0.00 N ATOM 0 H HIS A 87 -4.364 -2.722 -4.155 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.485 -4.193 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.215 -1.747 -6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.718 -1.877 -7.168 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.232 -2.856 -7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.620 -4.345 -8.796 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.834 -4.417 -9.196 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.543 -3.062 -4.866 1.00 0.00 N ATOM 1355 CA ALA A 88 0.638 -2.381 -4.363 1.00 0.00 C ATOM 1356 C ALA A 88 1.369 -1.680 -5.500 1.00 0.00 C ATOM 1357 O ALA A 88 1.945 -2.327 -6.379 1.00 0.00 O ATOM 1358 CB ALA A 88 1.567 -3.358 -3.660 1.00 0.00 C ATOM 0 H ALA A 88 -0.384 -4.025 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 88 0.318 -1.633 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.444 -2.826 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.044 -3.819 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.880 -4.131 -4.361 1.00 0.00 H new ATOM 1364 N TRP A 89 1.324 -0.361 -5.489 1.00 0.00 N ATOM 1365 CA TRP A 89 2.002 0.435 -6.497 1.00 0.00 C ATOM 1366 C TRP A 89 3.251 1.069 -5.910 1.00 0.00 C ATOM 1367 O TRP A 89 3.234 1.571 -4.787 1.00 0.00 O ATOM 1368 CB TRP A 89 1.072 1.518 -7.039 1.00 0.00 C ATOM 1369 CG TRP A 89 -0.052 0.985 -7.873 1.00 0.00 C ATOM 1370 CD1 TRP A 89 -1.266 0.541 -7.433 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.067 0.850 -9.298 1.00 0.00 C ATOM 1372 NE1 TRP A 89 -2.031 0.133 -8.497 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -1.317 0.312 -9.652 1.00 0.00 C ATOM 1374 CE3 TRP A 89 0.857 1.128 -10.309 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.667 0.048 -10.972 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 0.507 0.867 -11.620 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -0.746 0.332 -11.941 1.00 0.00 C ATOM 0 H TRP A 89 0.822 0.185 -4.789 1.00 0.00 H new ATOM 0 HA TRP A 89 2.289 -0.221 -7.319 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.657 2.080 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.655 2.219 -7.636 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.578 0.515 -6.399 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -2.977 -0.243 -8.437 1.00 0.00 H new ATOM 0 HE3 TRP A 89 1.827 1.539 -10.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.632 -0.367 -11.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 1.212 1.079 -12.410 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -0.990 0.140 -12.975 1.00 0.00 H new ATOM 1388 N HIS A 90 4.334 1.038 -6.664 1.00 0.00 N ATOM 1389 CA HIS A 90 5.591 1.603 -6.215 1.00 0.00 C ATOM 1390 C HIS A 90 5.624 3.097 -6.523 1.00 0.00 C ATOM 1391 O HIS A 90 5.612 3.502 -7.686 1.00 0.00 O ATOM 1392 CB HIS A 90 6.748 0.873 -6.909 1.00 0.00 C ATOM 1393 CG HIS A 90 8.124 1.328 -6.516 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.221 1.183 -7.335 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.585 1.906 -5.381 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.288 1.652 -6.727 1.00 0.00 C ATOM 1397 NE2 HIS A 90 9.938 2.095 -5.536 1.00 0.00 N ATOM 0 H HIS A 90 4.367 0.625 -7.596 1.00 0.00 H new ATOM 0 HA HIS A 90 5.693 1.476 -5.137 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.662 -0.193 -6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.638 0.994 -7.987 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.208 0.775 -8.270 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.998 2.170 -4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.287 1.671 -7.136 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.565 2.508 -4.846 1.00 0.00 H new ATOM 1406 N VAL A 91 5.642 3.902 -5.474 1.00 0.00 N ATOM 1407 CA VAL A 91 5.724 5.345 -5.611 1.00 0.00 C ATOM 1408 C VAL A 91 7.180 5.782 -5.483 1.00 0.00 C ATOM 1409 O VAL A 91 7.736 5.811 -4.383 1.00 0.00 O ATOM 1410 CB VAL A 91 4.866 6.060 -4.544 1.00 0.00 C ATOM 1411 CG1 VAL A 91 4.933 7.569 -4.718 1.00 0.00 C ATOM 1412 CG2 VAL A 91 3.423 5.575 -4.601 1.00 0.00 C ATOM 0 H VAL A 91 5.600 3.575 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 91 5.337 5.621 -6.592 1.00 0.00 H new ATOM 0 HB VAL A 91 5.271 5.814 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.321 8.051 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.966 7.901 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.560 7.838 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.835 6.091 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.007 5.785 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.392 4.501 -4.416 1.00 0.00 H new ATOM 1422 N PRO A 92 7.828 6.086 -6.616 1.00 0.00 N ATOM 1423 CA PRO A 92 9.244 6.433 -6.647 1.00 0.00 C ATOM 1424 C PRO A 92 9.498 7.916 -6.380 1.00 0.00 C ATOM 1425 O PRO A 92 10.640 8.328 -6.167 1.00 0.00 O ATOM 1426 CB PRO A 92 9.636 6.056 -8.074 1.00 0.00 C ATOM 1427 CG PRO A 92 8.413 6.327 -8.884 1.00 0.00 C ATOM 1428 CD PRO A 92 7.233 6.103 -7.970 1.00 0.00 C ATOM 0 HA PRO A 92 9.818 5.924 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.482 6.649 -8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.932 5.009 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.419 7.348 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.365 5.664 -9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.493 6.897 -8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.726 5.165 -8.195 1.00 0.00 H new ATOM 1436 N ASP A 93 8.436 8.714 -6.383 1.00 0.00 N ATOM 1437 CA ASP A 93 8.565 10.147 -6.159 1.00 0.00 C ATOM 1438 C ASP A 93 7.265 10.733 -5.629 1.00 0.00 C ATOM 1439 O ASP A 93 6.175 10.293 -6.001 1.00 0.00 O ATOM 1440 CB ASP A 93 8.955 10.857 -7.457 1.00 0.00 C ATOM 1441 CG ASP A 93 9.354 12.301 -7.229 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.388 12.535 -6.566 1.00 0.00 O ATOM 1443 OD2 ASP A 93 8.655 13.204 -7.727 1.00 0.00 O ATOM 0 H ASP A 93 7.480 8.393 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 93 9.347 10.300 -5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.783 10.324 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.118 10.820 -8.154 1.00 0.00 H new ATOM 1448 N PHE A 94 7.385 11.714 -4.749 1.00 0.00 N ATOM 1449 CA PHE A 94 6.226 12.397 -4.193 1.00 0.00 C ATOM 1450 C PHE A 94 6.558 13.857 -3.926 1.00 0.00 C ATOM 1451 O PHE A 94 7.711 14.198 -3.654 1.00 0.00 O ATOM 1452 CB PHE A 94 5.763 11.716 -2.898 1.00 0.00 C ATOM 1453 CG PHE A 94 6.786 11.739 -1.795 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.750 10.749 -1.704 1.00 0.00 C ATOM 1455 CD2 PHE A 94 6.786 12.756 -0.850 1.00 0.00 C ATOM 1456 CE1 PHE A 94 8.692 10.771 -0.694 1.00 0.00 C ATOM 1457 CE2 PHE A 94 7.726 12.782 0.160 1.00 0.00 C ATOM 1458 CZ PHE A 94 8.682 11.787 0.239 1.00 0.00 C ATOM 0 H PHE A 94 8.280 12.058 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 94 5.414 12.343 -4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.854 12.205 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.503 10.680 -3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.765 9.951 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.041 13.536 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.437 9.992 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.715 13.579 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 94 9.419 11.805 1.029 1.00 0.00 H new ATOM 1468 N HIS A 95 5.561 14.720 -4.030 1.00 0.00 N ATOM 1469 CA HIS A 95 5.745 16.137 -3.756 1.00 0.00 C ATOM 1470 C HIS A 95 5.089 16.513 -2.433 1.00 0.00 C ATOM 1471 O HIS A 95 3.925 16.200 -2.204 1.00 0.00 O ATOM 1472 CB HIS A 95 5.152 16.970 -4.898 1.00 0.00 C ATOM 1473 CG HIS A 95 5.769 16.674 -6.231 1.00 0.00 C ATOM 1474 ND1 HIS A 95 6.939 17.253 -6.663 1.00 0.00 N ATOM 1475 CD2 HIS A 95 5.381 15.832 -7.219 1.00 0.00 C ATOM 1476 CE1 HIS A 95 7.243 16.783 -7.859 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.315 15.919 -8.217 1.00 0.00 N ATOM 0 H HIS A 95 4.612 14.464 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 95 6.812 16.345 -3.682 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.079 16.786 -4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.283 18.028 -4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.499 15.208 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.107 17.060 -8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.295 15.399 -9.095 1.00 0.00 H new ATOM 1486 N GLY A 96 5.842 17.172 -1.564 1.00 0.00 N ATOM 1487 CA GLY A 96 5.318 17.556 -0.267 1.00 0.00 C ATOM 1488 C GLY A 96 6.026 16.831 0.860 1.00 0.00 C ATOM 1489 O GLY A 96 7.119 16.301 0.665 1.00 0.00 O ATOM 0 H GLY A 96 6.809 17.449 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.429 18.632 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.251 17.338 -0.226 1.00 0.00 H new ATOM 1493 N THR A 97 5.418 16.806 2.041 1.00 0.00 N ATOM 1494 CA THR A 97 6.000 16.113 3.175 1.00 0.00 C ATOM 1495 C THR A 97 4.954 15.206 3.809 1.00 0.00 C ATOM 1496 O THR A 97 3.783 15.574 3.885 1.00 0.00 O ATOM 1497 CB THR A 97 6.533 17.112 4.219 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.279 18.146 3.561 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.428 16.412 5.231 1.00 0.00 C ATOM 0 H THR A 97 4.524 17.258 2.234 1.00 0.00 H new ATOM 0 HA THR A 97 6.839 15.513 2.822 1.00 0.00 H new ATOM 0 HB THR A 97 5.682 17.545 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.615 18.781 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.792 17.138 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.859 15.637 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.275 15.958 4.716 1.00 0.00 H new ATOM 1507 N LEU A 98 5.370 14.034 4.262 1.00 0.00 N ATOM 1508 CA LEU A 98 4.419 13.046 4.754 1.00 0.00 C ATOM 1509 C LEU A 98 3.958 13.371 6.167 1.00 0.00 C ATOM 1510 O LEU A 98 4.753 13.711 7.043 1.00 0.00 O ATOM 1511 CB LEU A 98 4.932 11.587 4.666 1.00 0.00 C ATOM 1512 CG LEU A 98 6.447 11.316 4.772 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.153 11.651 3.467 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.078 12.061 5.941 1.00 0.00 C ATOM 0 H LEU A 98 6.347 13.744 4.300 1.00 0.00 H new ATOM 0 HA LEU A 98 3.563 13.109 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.441 11.018 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.590 11.175 3.716 1.00 0.00 H new ATOM 0 HG LEU A 98 6.572 10.250 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.220 11.451 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.744 11.038 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.002 12.705 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.145 11.842 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.932 13.133 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.609 11.742 6.872 1.00 0.00 H new ATOM 1526 N GLN A 99 2.657 13.304 6.352 1.00 0.00 N ATOM 1527 CA GLN A 99 2.041 13.504 7.642 1.00 0.00 C ATOM 1528 C GLN A 99 1.080 12.350 7.906 1.00 0.00 C ATOM 1529 O GLN A 99 0.674 11.660 6.976 1.00 0.00 O ATOM 1530 CB GLN A 99 1.303 14.852 7.669 1.00 0.00 C ATOM 1531 CG GLN A 99 -0.026 14.847 6.924 1.00 0.00 C ATOM 1532 CD GLN A 99 -0.767 16.164 7.033 1.00 0.00 C ATOM 1533 OE1 GLN A 99 -0.643 16.882 8.027 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -1.548 16.491 6.015 1.00 0.00 N ATOM 0 H GLN A 99 1.993 13.107 5.603 1.00 0.00 H new ATOM 0 HA GLN A 99 2.801 13.524 8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.125 15.136 8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.948 15.616 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.153 14.623 5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.655 14.048 7.318 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.624 15.869 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.074 17.365 6.036 1.00 0.00 H new ATOM 1543 N ALA A 100 0.754 12.111 9.159 1.00 0.00 N ATOM 1544 CA ALA A 100 -0.169 11.038 9.494 1.00 0.00 C ATOM 1545 C ALA A 100 -1.535 11.583 9.901 1.00 0.00 C ATOM 1546 O ALA A 100 -1.723 12.044 11.027 1.00 0.00 O ATOM 1547 CB ALA A 100 0.417 10.160 10.586 1.00 0.00 C ATOM 0 H ALA A 100 1.108 12.637 9.958 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.317 10.428 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.285 9.361 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.355 9.727 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.601 10.761 11.476 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.476 11.559 8.962 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.843 12.009 9.217 1.00 0.00 C ATOM 1555 C HIS A 101 -4.637 10.948 9.989 1.00 0.00 C ATOM 1556 O HIS A 101 -4.953 11.132 11.164 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.526 12.333 7.884 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.934 12.820 8.009 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -7.021 12.036 7.707 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.430 14.021 8.380 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -8.126 12.728 7.889 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.798 13.941 8.297 1.00 0.00 N ATOM 0 H HIS A 101 -2.316 11.230 8.010 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.811 12.907 9.833 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.938 13.090 7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.518 11.439 7.260 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.978 11.067 7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.857 14.884 8.685 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.131 12.365 7.731 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.956 9.846 9.324 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.663 8.735 9.956 1.00 0.00 C ATOM 1573 C GLU A 102 -4.680 7.795 10.643 1.00 0.00 C ATOM 1574 O GLU A 102 -5.064 6.774 11.216 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.468 7.955 8.913 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.910 8.430 8.758 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.731 7.535 7.843 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.262 6.508 8.320 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.846 7.845 6.646 1.00 0.00 O ATOM 0 H GLU A 102 -4.735 9.695 8.340 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.342 9.147 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.965 8.033 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.471 6.900 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.382 8.469 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.912 9.446 8.363 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.412 8.153 10.583 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.347 7.313 11.105 1.00 0.00 C ATOM 1588 C HIS A 103 -1.658 8.019 12.265 1.00 0.00 C ATOM 1589 O HIS A 103 -1.963 9.172 12.552 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.352 6.989 9.987 1.00 0.00 C ATOM 1591 CG HIS A 103 -1.960 6.212 8.853 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.733 6.785 7.859 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -1.906 4.894 8.560 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.119 5.851 7.011 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.632 4.697 7.414 1.00 0.00 N ATOM 0 H HIS A 103 -3.090 9.030 10.173 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.764 6.376 11.475 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.937 7.919 9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.521 6.419 10.404 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.968 7.775 7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.386 4.135 9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.731 6.007 6.135 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.772 3.800 6.949 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.737 7.334 12.930 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.057 7.918 14.083 1.00 0.00 C ATOM 1606 C GLN A 104 1.311 8.493 13.707 1.00 0.00 C ATOM 1607 O GLN A 104 1.588 9.665 13.967 1.00 0.00 O ATOM 1608 CB GLN A 104 0.086 6.885 15.203 1.00 0.00 C ATOM 1609 CG GLN A 104 0.679 7.458 16.482 1.00 0.00 C ATOM 1610 CD GLN A 104 0.658 6.473 17.635 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -0.341 5.606 17.660 1.00 0.00 O flip ATOM 1612 NE2 GLN A 104 1.529 6.502 18.507 1.00 0.00 N flip ATOM 0 H GLN A 104 -0.445 6.385 12.696 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.672 8.743 14.441 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.894 6.461 15.424 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.716 6.067 14.854 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.707 7.767 16.293 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.124 8.353 16.765 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.283 7.186 18.452 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.495 5.842 19.284 1.00 0.00 H new ATOM 1621 N ALA A 105 2.162 7.678 13.093 1.00 0.00 N ATOM 1622 CA ALA A 105 3.515 8.108 12.751 1.00 0.00 C ATOM 1623 C ALA A 105 3.994 7.462 11.457 1.00 0.00 C ATOM 1624 O ALA A 105 3.352 6.542 10.941 1.00 0.00 O ATOM 1625 CB ALA A 105 4.473 7.782 13.886 1.00 0.00 C ATOM 0 H ALA A 105 1.941 6.720 12.822 1.00 0.00 H new ATOM 0 HA ALA A 105 3.494 9.187 12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.478 8.108 13.618 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.153 8.298 14.791 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.475 6.706 14.063 1.00 0.00 H new ATOM 1631 N LEU A 106 5.123 7.949 10.944 1.00 0.00 N ATOM 1632 CA LEU A 106 5.723 7.424 9.719 1.00 0.00 C ATOM 1633 C LEU A 106 7.131 6.917 10.012 1.00 0.00 C ATOM 1634 O LEU A 106 7.878 7.548 10.762 1.00 0.00 O ATOM 1635 CB LEU A 106 5.814 8.503 8.622 1.00 0.00 C ATOM 1636 CG LEU A 106 4.497 8.966 7.984 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.655 7.780 7.555 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.721 9.876 8.925 1.00 0.00 C ATOM 0 H LEU A 106 5.646 8.717 11.365 1.00 0.00 H new ATOM 0 HA LEU A 106 5.086 6.614 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.309 9.376 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.459 8.125 7.829 1.00 0.00 H new ATOM 0 HG LEU A 106 4.743 9.543 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.728 8.136 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.207 7.187 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.425 7.164 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.793 10.188 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.492 9.338 9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.322 10.755 9.159 1.00 0.00 H new ATOM 1650 N VAL A 107 7.490 5.781 9.436 1.00 0.00 N ATOM 1651 CA VAL A 107 8.848 5.271 9.557 1.00 0.00 C ATOM 1652 C VAL A 107 9.372 4.812 8.201 1.00 0.00 C ATOM 1653 O VAL A 107 8.612 4.329 7.360 1.00 0.00 O ATOM 1654 CB VAL A 107 8.945 4.111 10.582 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.290 2.844 10.056 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.394 3.846 10.969 1.00 0.00 C ATOM 0 H VAL A 107 6.864 5.196 8.882 1.00 0.00 H new ATOM 0 HA VAL A 107 9.466 6.091 9.923 1.00 0.00 H new ATOM 0 HB VAL A 107 8.402 4.419 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.377 2.053 10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.237 3.036 9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.786 2.533 9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.435 3.028 11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.964 3.576 10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.821 4.744 11.416 1.00 0.00 H new ATOM 1666 N TRP A 108 10.664 5.007 7.982 1.00 0.00 N ATOM 1667 CA TRP A 108 11.316 4.527 6.778 1.00 0.00 C ATOM 1668 C TRP A 108 12.189 3.327 7.103 1.00 0.00 C ATOM 1669 O TRP A 108 13.130 3.427 7.892 1.00 0.00 O ATOM 1670 CB TRP A 108 12.177 5.623 6.144 1.00 0.00 C ATOM 1671 CG TRP A 108 11.399 6.802 5.649 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.735 6.905 4.462 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.215 8.052 6.323 1.00 0.00 C ATOM 1674 NE1 TRP A 108 10.150 8.143 4.355 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.429 8.864 5.486 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.639 8.561 7.554 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 10.058 10.159 5.841 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.269 9.845 7.905 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.486 10.632 7.051 1.00 0.00 C ATOM 0 H TRP A 108 11.282 5.498 8.628 1.00 0.00 H new ATOM 0 HA TRP A 108 10.541 4.238 6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.908 5.965 6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.736 5.195 5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.678 6.127 3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.598 8.472 3.563 1.00 0.00 H new ATOM 0 HE3 TRP A 108 12.244 7.962 8.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.454 10.768 5.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 11.589 10.249 8.854 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.215 11.632 7.354 1.00 0.00 H new ATOM 1690 N CYS A 109 11.868 2.193 6.514 1.00 0.00 N ATOM 1691 CA CYS A 109 12.683 1.003 6.693 1.00 0.00 C ATOM 1692 C CYS A 109 12.880 0.281 5.368 1.00 0.00 C ATOM 1693 O CYS A 109 12.082 0.427 4.446 1.00 0.00 O ATOM 1694 CB CYS A 109 12.062 0.075 7.737 1.00 0.00 C ATOM 1695 SG CYS A 109 10.348 -0.375 7.407 1.00 0.00 S ATOM 0 H CYS A 109 11.055 2.068 5.911 1.00 0.00 H new ATOM 0 HA CYS A 109 13.663 1.311 7.057 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.659 -0.835 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 109 12.117 0.557 8.713 1.00 0.00 H new ATOM 0 HG CYS A 109 9.559 0.356 8.137 1.00 0.00 H new ATOM 1701 N SER A 110 13.955 -0.486 5.275 1.00 0.00 N ATOM 1702 CA SER A 110 14.299 -1.179 4.042 1.00 0.00 C ATOM 1703 C SER A 110 13.324 -2.339 3.795 1.00 0.00 C ATOM 1704 O SER A 110 12.636 -2.774 4.717 1.00 0.00 O ATOM 1705 CB SER A 110 15.741 -1.686 4.140 1.00 0.00 C ATOM 1706 OG SER A 110 16.610 -0.644 4.557 1.00 0.00 O ATOM 0 H SER A 110 14.608 -0.645 6.043 1.00 0.00 H new ATOM 0 HA SER A 110 14.220 -0.493 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.794 -2.515 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.064 -2.070 3.172 1.00 0.00 H new ATOM 0 HG SER A 110 17.526 -0.986 4.616 1.00 0.00 H new ATOM 1712 N PRO A 111 13.250 -2.857 2.550 1.00 0.00 N ATOM 1713 CA PRO A 111 12.334 -3.961 2.185 1.00 0.00 C ATOM 1714 C PRO A 111 12.528 -5.215 3.046 1.00 0.00 C ATOM 1715 O PRO A 111 11.653 -6.068 3.128 1.00 0.00 O ATOM 1716 CB PRO A 111 12.685 -4.258 0.720 1.00 0.00 C ATOM 1717 CG PRO A 111 14.001 -3.595 0.483 1.00 0.00 C ATOM 1718 CD PRO A 111 14.032 -2.402 1.390 1.00 0.00 C ATOM 0 HA PRO A 111 11.293 -3.677 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.749 -5.331 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.922 -3.868 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.825 -4.274 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 111 14.105 -3.295 -0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.050 -2.132 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.587 -1.525 0.921 1.00 0.00 H new ATOM 1726 N GLU A 112 13.678 -5.308 3.683 1.00 0.00 N ATOM 1727 CA GLU A 112 13.947 -6.429 4.577 1.00 0.00 C ATOM 1728 C GLU A 112 13.475 -6.091 5.987 1.00 0.00 C ATOM 1729 O GLU A 112 12.931 -6.935 6.695 1.00 0.00 O ATOM 1730 CB GLU A 112 15.422 -6.835 4.566 1.00 0.00 C ATOM 1731 CG GLU A 112 16.389 -5.737 4.962 1.00 0.00 C ATOM 1732 CD GLU A 112 17.795 -6.267 5.125 1.00 0.00 C ATOM 1733 OE1 GLU A 112 18.514 -6.376 4.113 1.00 0.00 O ATOM 1734 OE2 GLU A 112 18.176 -6.605 6.264 1.00 0.00 O ATOM 0 H GLU A 112 14.437 -4.632 3.604 1.00 0.00 H new ATOM 0 HA GLU A 112 13.388 -7.291 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.557 -7.679 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.680 -7.184 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.380 -4.953 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.061 -5.281 5.896 1.00 0.00 H new ATOM 1741 N GLU A 113 13.668 -4.835 6.368 1.00 0.00 N ATOM 1742 CA GLU A 113 13.283 -4.347 7.683 1.00 0.00 C ATOM 1743 C GLU A 113 11.766 -4.272 7.816 1.00 0.00 C ATOM 1744 O GLU A 113 11.216 -4.591 8.863 1.00 0.00 O ATOM 1745 CB GLU A 113 13.881 -2.960 7.914 1.00 0.00 C ATOM 1746 CG GLU A 113 15.397 -2.926 7.826 1.00 0.00 C ATOM 1747 CD GLU A 113 16.068 -3.548 9.032 1.00 0.00 C ATOM 1748 OE1 GLU A 113 16.229 -4.784 9.062 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.450 -2.798 9.951 1.00 0.00 O ATOM 0 H GLU A 113 14.096 -4.126 5.772 1.00 0.00 H new ATOM 0 HA GLU A 113 13.663 -5.044 8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.468 -2.269 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.575 -2.601 8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.716 -3.452 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.728 -1.892 7.725 1.00 0.00 H new ATOM 1756 N ALA A 114 11.104 -3.858 6.740 1.00 0.00 N ATOM 1757 CA ALA A 114 9.656 -3.650 6.740 1.00 0.00 C ATOM 1758 C ALA A 114 8.902 -4.903 7.162 1.00 0.00 C ATOM 1759 O ALA A 114 7.916 -4.823 7.889 1.00 0.00 O ATOM 1760 CB ALA A 114 9.192 -3.198 5.362 1.00 0.00 C ATOM 0 H ALA A 114 11.552 -3.657 5.846 1.00 0.00 H new ATOM 0 HA ALA A 114 9.435 -2.872 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.113 -3.046 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.687 -2.263 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.443 -3.961 4.625 1.00 0.00 H new ATOM 1766 N LEU A 115 9.379 -6.054 6.725 1.00 0.00 N ATOM 1767 CA LEU A 115 8.701 -7.308 7.007 1.00 0.00 C ATOM 1768 C LEU A 115 8.963 -7.765 8.442 1.00 0.00 C ATOM 1769 O LEU A 115 8.313 -8.688 8.932 1.00 0.00 O ATOM 1770 CB LEU A 115 9.141 -8.370 5.995 1.00 0.00 C ATOM 1771 CG LEU A 115 8.008 -9.109 5.262 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.478 -10.263 6.096 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.865 -8.159 4.919 1.00 0.00 C ATOM 0 H LEU A 115 10.232 -6.148 6.174 1.00 0.00 H new ATOM 0 HA LEU A 115 7.626 -7.158 6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.779 -7.893 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.753 -9.107 6.514 1.00 0.00 H new ATOM 0 HG LEU A 115 8.426 -9.506 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.678 -10.767 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.284 -10.970 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.091 -9.881 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.078 -8.708 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.463 -7.727 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.235 -7.362 4.274 1.00 0.00 H new ATOM 1785 N GLN A 116 9.919 -7.126 9.118 1.00 0.00 N ATOM 1786 CA GLN A 116 10.157 -7.381 10.534 1.00 0.00 C ATOM 1787 C GLN A 116 9.226 -6.536 11.396 1.00 0.00 C ATOM 1788 O GLN A 116 9.113 -6.747 12.605 1.00 0.00 O ATOM 1789 CB GLN A 116 11.609 -7.075 10.895 1.00 0.00 C ATOM 1790 CG GLN A 116 12.611 -8.052 10.301 1.00 0.00 C ATOM 1791 CD GLN A 116 12.522 -9.442 10.908 1.00 0.00 C ATOM 1792 OE1 GLN A 116 11.450 -9.904 11.307 1.00 0.00 O ATOM 1793 NE2 GLN A 116 13.659 -10.112 11.005 1.00 0.00 N ATOM 0 H GLN A 116 10.539 -6.429 8.706 1.00 0.00 H new ATOM 0 HA GLN A 116 9.956 -8.435 10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.853 -6.068 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.712 -7.079 11.980 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.448 -8.121 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 116 13.619 -7.663 10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.526 -9.697 10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.668 -11.043 11.421 1.00 0.00 H new ATOM 1802 N TYR A 117 8.560 -5.580 10.766 1.00 0.00 N ATOM 1803 CA TYR A 117 7.615 -4.720 11.459 1.00 0.00 C ATOM 1804 C TYR A 117 6.246 -5.380 11.479 1.00 0.00 C ATOM 1805 O TYR A 117 5.956 -6.230 10.636 1.00 0.00 O ATOM 1806 CB TYR A 117 7.526 -3.344 10.784 1.00 0.00 C ATOM 1807 CG TYR A 117 8.659 -2.403 11.138 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.939 -2.608 10.651 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.441 -1.304 11.960 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.973 -1.750 10.968 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.469 -0.438 12.283 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.734 -0.667 11.785 1.00 0.00 C ATOM 1813 OH TYR A 117 11.763 0.191 12.103 1.00 0.00 O ATOM 0 H TYR A 117 8.658 -5.380 9.771 1.00 0.00 H new ATOM 0 HA TYR A 117 7.964 -4.573 12.481 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.509 -3.483 9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.581 -2.877 11.061 1.00 0.00 H new ATOM 0 HD1 TYR A 117 10.132 -3.456 10.011 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.452 -1.123 12.353 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.964 -1.927 10.577 1.00 0.00 H new ATOM 0 HE2 TYR A 117 9.282 0.413 12.922 1.00 0.00 H new ATOM 0 HH TYR A 117 11.427 0.903 12.687 1.00 0.00 H new ATOM 1823 N PRO A 118 5.392 -5.025 12.451 1.00 0.00 N ATOM 1824 CA PRO A 118 4.034 -5.560 12.524 1.00 0.00 C ATOM 1825 C PRO A 118 3.152 -5.014 11.405 1.00 0.00 C ATOM 1826 O PRO A 118 2.407 -4.052 11.596 1.00 0.00 O ATOM 1827 CB PRO A 118 3.537 -5.093 13.894 1.00 0.00 C ATOM 1828 CG PRO A 118 4.329 -3.866 14.181 1.00 0.00 C ATOM 1829 CD PRO A 118 5.678 -4.088 13.552 1.00 0.00 C ATOM 0 HA PRO A 118 4.006 -6.643 12.406 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.468 -4.880 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.698 -5.856 14.656 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.845 -2.983 13.765 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.421 -3.703 15.255 1.00 0.00 H new ATOM 0 HD2 PRO A 118 6.108 -3.156 13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.389 -4.509 14.263 1.00 0.00 H new ATOM 1837 N LEU A 119 3.291 -5.598 10.226 1.00 0.00 N ATOM 1838 CA LEU A 119 2.488 -5.218 9.075 1.00 0.00 C ATOM 1839 C LEU A 119 1.165 -5.974 9.084 1.00 0.00 C ATOM 1840 O LEU A 119 1.076 -7.075 9.630 1.00 0.00 O ATOM 1841 CB LEU A 119 3.244 -5.510 7.773 1.00 0.00 C ATOM 1842 CG LEU A 119 4.465 -4.625 7.498 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.101 -5.010 6.173 1.00 0.00 C ATOM 1844 CD2 LEU A 119 4.069 -3.157 7.497 1.00 0.00 C ATOM 0 H LEU A 119 3.960 -6.345 10.040 1.00 0.00 H new ATOM 0 HA LEU A 119 2.288 -4.148 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.569 -6.550 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.549 -5.406 6.940 1.00 0.00 H new ATOM 0 HG LEU A 119 5.196 -4.779 8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.967 -4.375 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.416 -6.053 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.376 -4.879 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.948 -2.543 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.323 -2.982 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.652 -2.892 8.468 1.00 0.00 H new ATOM 1856 N ALA A 120 0.142 -5.375 8.488 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.164 -6.008 8.392 1.00 0.00 C ATOM 1858 C ALA A 120 -1.096 -7.248 7.498 1.00 0.00 C ATOM 1859 O ALA A 120 -0.210 -7.361 6.650 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.185 -5.011 7.860 1.00 0.00 C ATOM 0 H ALA A 120 0.193 -4.449 8.063 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.476 -6.328 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.161 -5.492 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.248 -4.158 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.878 -4.668 6.872 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.037 -8.196 7.672 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.056 -9.463 6.919 1.00 0.00 C ATOM 1868 C PRO A 121 -2.096 -9.277 5.398 1.00 0.00 C ATOM 1869 O PRO A 121 -1.823 -10.211 4.644 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.343 -10.152 7.395 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.144 -9.085 8.059 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.148 -8.122 8.631 1.00 0.00 C ATOM 0 HA PRO A 121 -1.145 -10.033 7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.888 -10.588 6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.120 -10.964 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.802 -8.589 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.778 -9.502 8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.555 -7.113 8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.836 -8.411 9.635 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.441 -8.081 4.949 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.526 -7.806 3.524 1.00 0.00 C ATOM 1882 C ALA A 122 -1.235 -7.182 3.010 1.00 0.00 C ATOM 1883 O ALA A 122 -0.902 -7.301 1.831 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.708 -6.898 3.235 1.00 0.00 C ATOM 0 H ALA A 122 -2.666 -7.287 5.549 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.673 -8.751 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.761 -6.699 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.628 -7.384 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.585 -5.958 3.773 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.499 -6.555 3.916 1.00 0.00 N ATOM 1891 CA ASP A 123 0.712 -5.819 3.567 1.00 0.00 C ATOM 1892 C ASP A 123 1.891 -6.758 3.431 1.00 0.00 C ATOM 1893 O ASP A 123 2.843 -6.480 2.703 1.00 0.00 O ATOM 1894 CB ASP A 123 1.023 -4.780 4.642 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.054 -3.725 4.760 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.206 -4.092 5.082 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.250 -2.535 4.547 1.00 0.00 O ATOM 0 H ASP A 123 -0.722 -6.541 4.911 1.00 0.00 H new ATOM 0 HA ASP A 123 0.541 -5.322 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.142 -5.281 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.974 -4.299 4.413 1.00 0.00 H new ATOM 1902 N ILE A 124 1.813 -7.882 4.125 1.00 0.00 N ATOM 1903 CA ILE A 124 2.905 -8.839 4.150 1.00 0.00 C ATOM 1904 C ILE A 124 3.151 -9.422 2.752 1.00 0.00 C ATOM 1905 O ILE A 124 4.232 -9.238 2.198 1.00 0.00 O ATOM 1906 CB ILE A 124 2.642 -9.972 5.168 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.456 -9.387 6.572 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.781 -10.984 5.156 1.00 0.00 C ATOM 1909 CD1 ILE A 124 2.089 -10.416 7.621 1.00 0.00 C ATOM 0 H ILE A 124 1.001 -8.154 4.680 1.00 0.00 H new ATOM 0 HA ILE A 124 3.801 -8.305 4.467 1.00 0.00 H new ATOM 0 HB ILE A 124 1.727 -10.490 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.378 -8.889 6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.678 -8.624 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.575 -11.772 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.870 -11.419 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.714 -10.485 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.975 -9.925 8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.151 -10.898 7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.877 -11.166 7.686 1.00 0.00 H new ATOM 1921 N PRO A 125 2.144 -10.097 2.140 1.00 0.00 N ATOM 1922 CA PRO A 125 2.288 -10.710 0.810 1.00 0.00 C ATOM 1923 C PRO A 125 2.772 -9.723 -0.252 1.00 0.00 C ATOM 1924 O PRO A 125 3.513 -10.093 -1.165 1.00 0.00 O ATOM 1925 CB PRO A 125 0.872 -11.201 0.470 1.00 0.00 C ATOM 1926 CG PRO A 125 -0.027 -10.534 1.453 1.00 0.00 C ATOM 1927 CD PRO A 125 0.796 -10.320 2.684 1.00 0.00 C ATOM 0 HA PRO A 125 3.037 -11.502 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.600 -10.938 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 125 0.803 -12.286 0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.398 -9.587 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.898 -11.153 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.446 -9.464 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.765 -11.185 3.347 1.00 0.00 H new ATOM 1935 N LEU A 126 2.356 -8.470 -0.123 1.00 0.00 N ATOM 1936 CA LEU A 126 2.729 -7.439 -1.079 1.00 0.00 C ATOM 1937 C LEU A 126 4.196 -7.063 -0.924 1.00 0.00 C ATOM 1938 O LEU A 126 4.910 -6.882 -1.913 1.00 0.00 O ATOM 1939 CB LEU A 126 1.848 -6.200 -0.893 1.00 0.00 C ATOM 1940 CG LEU A 126 0.347 -6.429 -1.094 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.436 -5.167 -0.768 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.061 -6.882 -2.518 1.00 0.00 C ATOM 0 H LEU A 126 1.759 -8.144 0.637 1.00 0.00 H new ATOM 0 HA LEU A 126 2.578 -7.835 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.008 -5.808 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.178 -5.431 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 126 0.027 -7.217 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.500 -5.350 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.258 -4.886 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.112 -4.358 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.010 -7.040 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.398 -6.117 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.590 -7.814 -2.716 1.00 0.00 H new ATOM 1954 N LEU A 127 4.650 -6.971 0.319 1.00 0.00 N ATOM 1955 CA LEU A 127 6.022 -6.581 0.593 1.00 0.00 C ATOM 1956 C LEU A 127 6.963 -7.722 0.234 1.00 0.00 C ATOM 1957 O LEU A 127 8.056 -7.488 -0.290 1.00 0.00 O ATOM 1958 CB LEU A 127 6.183 -6.175 2.066 1.00 0.00 C ATOM 1959 CG LEU A 127 7.452 -5.380 2.409 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.677 -6.276 2.463 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.667 -4.267 1.396 1.00 0.00 C ATOM 0 H LEU A 127 4.089 -7.161 1.149 1.00 0.00 H new ATOM 0 HA LEU A 127 6.276 -5.716 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.316 -5.581 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.168 -7.079 2.675 1.00 0.00 H new ATOM 0 HG LEU A 127 7.311 -4.945 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.555 -5.678 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.535 -7.041 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.822 -6.753 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.570 -3.712 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.775 -4.697 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.811 -3.593 1.409 1.00 0.00 H new ATOM 1973 N GLU A 128 6.525 -8.953 0.495 1.00 0.00 N ATOM 1974 CA GLU A 128 7.308 -10.135 0.153 1.00 0.00 C ATOM 1975 C GLU A 128 7.751 -10.090 -1.303 1.00 0.00 C ATOM 1976 O GLU A 128 8.899 -10.389 -1.617 1.00 0.00 O ATOM 1977 CB GLU A 128 6.506 -11.416 0.380 1.00 0.00 C ATOM 1978 CG GLU A 128 5.971 -11.580 1.788 1.00 0.00 C ATOM 1979 CD GLU A 128 5.287 -12.916 1.985 1.00 0.00 C ATOM 1980 OE1 GLU A 128 4.178 -13.110 1.438 1.00 0.00 O ATOM 1981 OE2 GLU A 128 5.863 -13.787 2.663 1.00 0.00 O ATOM 0 H GLU A 128 5.631 -9.156 0.943 1.00 0.00 H new ATOM 0 HA GLU A 128 8.183 -10.137 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.669 -11.434 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.138 -12.272 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.791 -11.484 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.266 -10.777 2.003 1.00 0.00 H new ATOM 1988 N ALA A 129 6.841 -9.703 -2.190 1.00 0.00 N ATOM 1989 CA ALA A 129 7.153 -9.664 -3.608 1.00 0.00 C ATOM 1990 C ALA A 129 7.961 -8.430 -3.970 1.00 0.00 C ATOM 1991 O ALA A 129 8.700 -8.438 -4.950 1.00 0.00 O ATOM 1992 CB ALA A 129 5.898 -9.725 -4.449 1.00 0.00 C ATOM 0 H ALA A 129 5.892 -9.415 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 129 7.759 -10.544 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.166 -9.694 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.363 -10.651 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.259 -8.874 -4.212 1.00 0.00 H new ATOM 1998 N PHE A 130 7.840 -7.371 -3.183 1.00 0.00 N ATOM 1999 CA PHE A 130 8.597 -6.163 -3.451 1.00 0.00 C ATOM 2000 C PHE A 130 10.063 -6.416 -3.140 1.00 0.00 C ATOM 2001 O PHE A 130 10.950 -6.064 -3.919 1.00 0.00 O ATOM 2002 CB PHE A 130 8.065 -4.999 -2.614 1.00 0.00 C ATOM 2003 CG PHE A 130 8.704 -3.677 -2.936 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.384 -3.002 -4.102 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.622 -3.107 -2.069 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.963 -1.784 -4.397 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.204 -1.889 -2.359 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.874 -1.227 -3.524 1.00 0.00 C ATOM 0 H PHE A 130 7.233 -7.325 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 130 8.491 -5.896 -4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.989 -4.918 -2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.223 -5.221 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.672 -3.434 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 130 9.885 -3.621 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.703 -1.268 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 130 10.917 -1.454 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.328 -0.274 -3.752 1.00 0.00 H new ATOM 2018 N MET A 131 10.312 -7.043 -1.994 1.00 0.00 N ATOM 2019 CA MET A 131 11.660 -7.438 -1.629 1.00 0.00 C ATOM 2020 C MET A 131 12.139 -8.565 -2.541 1.00 0.00 C ATOM 2021 O MET A 131 13.319 -8.625 -2.880 1.00 0.00 O ATOM 2022 CB MET A 131 11.745 -7.845 -0.147 1.00 0.00 C ATOM 2023 CG MET A 131 10.995 -9.121 0.203 1.00 0.00 C ATOM 2024 SD MET A 131 11.075 -9.516 1.962 1.00 0.00 S ATOM 2025 CE MET A 131 12.844 -9.693 2.194 1.00 0.00 C ATOM 0 H MET A 131 9.598 -7.286 -1.307 1.00 0.00 H new ATOM 0 HA MET A 131 12.318 -6.579 -1.763 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.794 -7.970 0.122 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.354 -7.030 0.463 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.952 -9.018 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.409 -9.950 -0.371 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.036 -10.268 3.100 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.273 -10.212 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.299 -8.707 2.287 1.00 0.00 H new ATOM 2035 N ALA A 132 11.222 -9.447 -2.953 1.00 0.00 N ATOM 2036 CA ALA A 132 11.532 -10.485 -3.933 1.00 0.00 C ATOM 2037 C ALA A 132 12.063 -9.875 -5.221 1.00 0.00 C ATOM 2038 O ALA A 132 13.063 -10.336 -5.777 1.00 0.00 O ATOM 2039 CB ALA A 132 10.284 -11.315 -4.229 1.00 0.00 C ATOM 0 H ALA A 132 10.258 -9.460 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 132 12.304 -11.130 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.525 -12.086 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.932 -11.784 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.503 -10.668 -4.628 1.00 0.00 H new ATOM 2045 N LEU A 133 11.403 -8.822 -5.677 1.00 0.00 N ATOM 2046 CA LEU A 133 11.771 -8.168 -6.921 1.00 0.00 C ATOM 2047 C LEU A 133 13.145 -7.528 -6.821 1.00 0.00 C ATOM 2048 O LEU A 133 13.896 -7.510 -7.786 1.00 0.00 O ATOM 2049 CB LEU A 133 10.729 -7.113 -7.299 1.00 0.00 C ATOM 2050 CG LEU A 133 9.804 -7.494 -8.457 1.00 0.00 C ATOM 2051 CD1 LEU A 133 9.100 -8.814 -8.179 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.794 -6.386 -8.712 1.00 0.00 C ATOM 0 H LEU A 133 10.606 -8.401 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 133 11.805 -8.930 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.118 -6.899 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.248 -6.190 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 133 10.411 -7.622 -9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.449 -9.062 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.842 -9.602 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.504 -8.724 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.143 -6.671 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.195 -6.227 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 133 9.320 -5.465 -8.965 1.00 0.00 H new ATOM 2064 N ARG A 134 13.481 -7.009 -5.654 1.00 0.00 N ATOM 2065 CA ARG A 134 14.768 -6.356 -5.472 1.00 0.00 C ATOM 2066 C ARG A 134 15.877 -7.386 -5.262 1.00 0.00 C ATOM 2067 O ARG A 134 17.047 -7.112 -5.519 1.00 0.00 O ATOM 2068 CB ARG A 134 14.709 -5.400 -4.282 1.00 0.00 C ATOM 2069 CG ARG A 134 13.562 -4.409 -4.368 1.00 0.00 C ATOM 2070 CD ARG A 134 13.485 -3.522 -3.137 1.00 0.00 C ATOM 2071 NE ARG A 134 14.496 -2.466 -3.143 1.00 0.00 N ATOM 2072 CZ ARG A 134 14.217 -1.191 -3.402 1.00 0.00 C ATOM 2073 NH1 ARG A 134 12.996 -0.851 -3.779 1.00 0.00 N ATOM 2074 NH2 ARG A 134 15.155 -0.262 -3.306 1.00 0.00 N ATOM 0 H ARG A 134 12.888 -7.025 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 134 14.994 -5.789 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.613 -5.979 -3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.649 -4.853 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.685 -3.788 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.623 -4.950 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.494 -3.071 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.609 -4.134 -2.244 1.00 0.00 H new ATOM 0 HE ARG A 134 15.463 -2.719 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 134 12.273 -1.565 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 134 12.777 0.125 -3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.103 -0.521 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 134 14.930 0.712 -3.507 1.00 0.00 H new ATOM 2088 N ALA A 135 15.500 -8.575 -4.809 1.00 0.00 N ATOM 2089 CA ALA A 135 16.471 -9.622 -4.514 1.00 0.00 C ATOM 2090 C ALA A 135 16.842 -10.407 -5.768 1.00 0.00 C ATOM 2091 O ALA A 135 17.999 -10.780 -5.957 1.00 0.00 O ATOM 2092 CB ALA A 135 15.927 -10.563 -3.448 1.00 0.00 C ATOM 0 H ALA A 135 14.530 -8.839 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 135 17.374 -9.142 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.663 -11.339 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.723 -10.001 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.006 -11.023 -3.805 1.00 0.00 H new ATOM 2098 N ALA A 136 15.864 -10.640 -6.634 1.00 0.00 N ATOM 2099 CA ALA A 136 16.087 -11.440 -7.836 1.00 0.00 C ATOM 2100 C ALA A 136 16.147 -10.568 -9.086 1.00 0.00 C ATOM 2101 O ALA A 136 16.525 -11.044 -10.156 1.00 0.00 O ATOM 2102 CB ALA A 136 14.994 -12.489 -7.979 1.00 0.00 C ATOM 0 H ALA A 136 14.912 -10.289 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 136 17.051 -11.938 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 136 15.171 -13.079 -8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 136 15.002 -13.144 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 136 14.024 -11.996 -8.053 1.00 0.00 H new