USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot -166:sc= 0.76 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= 0.635 F(o=-0.016,f=1.4) USER MOD Set 2.1: A 52 TYR OH : rot 165:sc= 0.00938 USER MOD Set 2.2: A 64 GLN : amide:sc= -0.227 K(o=-0.22,f=-1.8!) USER MOD Set 3.1: A 31 GLN : amide:sc= -0.0328 K(o=0.19,f=-0.9) USER MOD Set 3.2: A 48 ASN : amide:sc= 0.221 K(o=0.19,f=-5.1!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.26) USER MOD Single : A 15 GLN : amide:sc= 0.834 K(o=0.83,f=-0.43) USER MOD Single : A 17 HIS : no HD1:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 1:sc= 1.2 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot -113:sc= 0.638 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 75 TYR OH : rot 15:sc= 0.333 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc=-0.00552 (180deg=-0.159) USER MOD Single : A 86 ASN : amide:sc= 0.955 K(o=0.95,f=-1.8) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.0017 X(o=-0.0017,f=-0.29) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.2) USER MOD Single : A 100 SER OG : rot 83:sc= 1.1 USER MOD Single : A 101 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.6) USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 0.0891 (180deg=0.0427) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.18) USER MOD Single : A 109 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.29) USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -112:sc= -0.238 (180deg=-0.39) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 123 GLN : amide:sc= 0.0211 X(o=0.021,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 4.212 17.625 -3.913 1.00 0.00 N ATOM 110 CA TYR A 11 3.799 16.237 -3.782 1.00 0.00 C ATOM 111 C TYR A 11 3.513 15.849 -2.331 1.00 0.00 C ATOM 112 O TYR A 11 2.725 14.933 -2.114 1.00 0.00 O ATOM 113 CB TYR A 11 4.869 15.324 -4.380 1.00 0.00 C ATOM 114 CG TYR A 11 5.057 15.475 -5.877 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.978 15.229 -6.747 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.318 15.811 -6.405 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.149 15.339 -8.137 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.506 15.883 -7.794 1.00 0.00 C ATOM 119 CZ TYR A 11 5.416 15.661 -8.664 1.00 0.00 C ATOM 120 OH TYR A 11 5.601 15.705 -10.009 1.00 0.00 O ATOM 0 HA TYR A 11 2.865 16.116 -4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.819 15.525 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.609 14.288 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.014 14.954 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.144 16.014 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.312 15.177 -8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.483 16.108 -8.197 1.00 0.00 H new ATOM 0 HH TYR A 11 6.532 15.943 -10.204 1.00 0.00 H new ATOM 130 N SER A 12 4.091 16.524 -1.328 1.00 0.00 N ATOM 131 CA SER A 12 3.691 16.286 0.052 1.00 0.00 C ATOM 132 C SER A 12 2.212 16.590 0.258 1.00 0.00 C ATOM 133 O SER A 12 1.561 15.816 0.952 1.00 0.00 O ATOM 134 CB SER A 12 4.505 17.087 1.060 1.00 0.00 C ATOM 135 OG SER A 12 5.890 16.861 0.911 1.00 0.00 O ATOM 0 H SER A 12 4.822 17.225 -1.449 1.00 0.00 H new ATOM 0 HA SER A 12 3.883 15.228 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.294 18.149 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.199 16.817 2.071 1.00 0.00 H new ATOM 0 HG SER A 12 6.381 17.392 1.572 1.00 0.00 H new ATOM 141 N GLN A 13 1.671 17.646 -0.360 1.00 0.00 N ATOM 142 CA GLN A 13 0.251 17.976 -0.285 1.00 0.00 C ATOM 143 C GLN A 13 -0.541 16.815 -0.880 1.00 0.00 C ATOM 144 O GLN A 13 -1.344 16.205 -0.181 1.00 0.00 O ATOM 145 CB GLN A 13 -0.059 19.290 -1.010 1.00 0.00 C ATOM 146 CG GLN A 13 0.662 20.493 -0.388 1.00 0.00 C ATOM 147 CD GLN A 13 0.108 20.900 0.974 1.00 0.00 C ATOM 148 OE1 GLN A 13 -1.104 20.967 1.170 1.00 0.00 O ATOM 149 NE2 GLN A 13 0.965 21.194 1.936 1.00 0.00 N ATOM 0 H GLN A 13 2.213 18.297 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.035 18.123 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.230 19.200 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.134 19.466 -0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.721 20.257 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.589 21.341 -1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.968 21.135 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.623 21.480 2.853 1.00 0.00 H new ATOM 158 N ARG A 14 -0.245 16.429 -2.124 1.00 0.00 N ATOM 159 CA ARG A 14 -0.906 15.323 -2.836 1.00 0.00 C ATOM 160 C ARG A 14 -0.776 13.971 -2.115 1.00 0.00 C ATOM 161 O ARG A 14 -1.434 13.009 -2.511 1.00 0.00 O ATOM 162 CB ARG A 14 -0.364 15.209 -4.275 1.00 0.00 C ATOM 163 CG ARG A 14 -0.571 16.482 -5.117 1.00 0.00 C ATOM 164 CD ARG A 14 0.066 16.384 -6.511 1.00 0.00 C ATOM 165 NE ARG A 14 -0.649 15.463 -7.417 1.00 0.00 N ATOM 166 CZ ARG A 14 -0.373 15.281 -8.716 1.00 0.00 C ATOM 167 NH1 ARG A 14 0.725 15.804 -9.251 1.00 0.00 N ATOM 168 NH2 ARG A 14 -1.204 14.568 -9.464 1.00 0.00 N ATOM 0 H ARG A 14 0.478 16.885 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.968 15.565 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.701 14.979 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.853 14.371 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.639 16.672 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.146 17.335 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.093 17.376 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.099 16.052 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.417 14.920 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.365 16.348 -8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.928 15.661 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.044 14.164 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.003 14.424 -10.454 1.00 0.00 H new ATOM 182 N GLN A 15 0.085 13.855 -1.110 1.00 0.00 N ATOM 183 CA GLN A 15 0.242 12.679 -0.272 1.00 0.00 C ATOM 184 C GLN A 15 -0.605 12.832 0.986 1.00 0.00 C ATOM 185 O GLN A 15 -1.423 11.982 1.301 1.00 0.00 O ATOM 186 CB GLN A 15 1.735 12.492 0.037 1.00 0.00 C ATOM 187 CG GLN A 15 2.443 11.892 -1.188 1.00 0.00 C ATOM 188 CD GLN A 15 3.964 12.021 -1.180 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.603 12.275 -0.163 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.597 11.867 -2.332 1.00 0.00 N ATOM 0 H GLN A 15 0.718 14.611 -0.849 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.109 11.782 -0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.186 13.450 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.859 11.836 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.183 10.836 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.057 12.376 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.070 11.656 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.612 11.959 -2.373 1.00 0.00 H new ATOM 199 N ASP A 16 -0.403 13.929 1.711 1.00 0.00 N ATOM 200 CA ASP A 16 -1.005 14.210 3.009 1.00 0.00 C ATOM 201 C ASP A 16 -2.524 14.341 2.899 1.00 0.00 C ATOM 202 O ASP A 16 -3.268 13.887 3.768 1.00 0.00 O ATOM 203 CB ASP A 16 -0.393 15.518 3.509 1.00 0.00 C ATOM 204 CG ASP A 16 -0.320 15.616 5.018 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.366 15.785 5.671 1.00 0.00 O ATOM 206 OD2 ASP A 16 0.826 15.657 5.529 1.00 0.00 O ATOM 0 H ASP A 16 0.212 14.679 1.395 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.808 13.392 3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.611 15.620 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.980 16.353 3.127 1.00 0.00 H new ATOM 211 N HIS A 17 -2.993 14.925 1.794 1.00 0.00 N ATOM 212 CA HIS A 17 -4.403 15.065 1.444 1.00 0.00 C ATOM 213 C HIS A 17 -5.064 13.705 1.206 1.00 0.00 C ATOM 214 O HIS A 17 -6.287 13.626 1.102 1.00 0.00 O ATOM 215 CB HIS A 17 -4.502 15.926 0.176 1.00 0.00 C ATOM 216 CG HIS A 17 -5.788 16.689 -0.037 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.014 17.547 -1.093 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.851 16.799 0.824 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.163 18.198 -0.850 1.00 0.00 C ATOM 220 NE2 HIS A 17 -7.693 17.791 0.311 1.00 0.00 N ATOM 0 H HIS A 17 -2.373 15.329 1.092 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.928 15.539 2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.681 16.643 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.346 15.278 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.008 16.228 1.727 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.598 18.944 -1.499 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.550 18.139 0.740 1.00 0.00 H new ATOM 228 N GLU A 18 -4.275 12.637 1.067 1.00 0.00 N ATOM 229 CA GLU A 18 -4.775 11.282 1.024 1.00 0.00 C ATOM 230 C GLU A 18 -4.759 10.648 2.408 1.00 0.00 C ATOM 231 O GLU A 18 -5.634 9.854 2.704 1.00 0.00 O ATOM 232 CB GLU A 18 -3.919 10.478 0.038 1.00 0.00 C ATOM 233 CG GLU A 18 -4.798 9.687 -0.925 1.00 0.00 C ATOM 234 CD GLU A 18 -5.711 10.566 -1.799 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.431 11.780 -1.970 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.703 10.038 -2.346 1.00 0.00 O ATOM 0 H GLU A 18 -3.261 12.701 0.981 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.812 11.285 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.273 11.153 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.268 9.797 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.161 9.085 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.416 8.995 -0.353 1.00 0.00 H new ATOM 243 N LEU A 19 -3.791 10.986 3.262 1.00 0.00 N ATOM 244 CA LEU A 19 -3.665 10.416 4.606 1.00 0.00 C ATOM 245 C LEU A 19 -4.888 10.762 5.441 1.00 0.00 C ATOM 246 O LEU A 19 -5.542 9.867 5.967 1.00 0.00 O ATOM 247 CB LEU A 19 -2.370 10.883 5.290 1.00 0.00 C ATOM 248 CG LEU A 19 -1.105 10.424 4.546 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.154 11.033 5.164 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.917 8.918 4.401 1.00 0.00 C ATOM 0 H LEU A 19 -3.066 11.668 3.039 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.609 9.331 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.372 11.971 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.345 10.500 6.310 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.263 10.796 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.031 10.689 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.096 12.120 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.234 10.724 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.008 8.717 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.866 8.461 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.758 8.498 3.850 1.00 0.00 H new ATOM 262 N GLN A 20 -5.239 12.044 5.518 1.00 0.00 N ATOM 263 CA GLN A 20 -6.421 12.468 6.261 1.00 0.00 C ATOM 264 C GLN A 20 -7.690 11.798 5.716 1.00 0.00 C ATOM 265 O GLN A 20 -8.575 11.445 6.495 1.00 0.00 O ATOM 266 CB GLN A 20 -6.541 13.993 6.223 1.00 0.00 C ATOM 267 CG GLN A 20 -5.422 14.683 7.022 1.00 0.00 C ATOM 268 CD GLN A 20 -5.802 16.116 7.394 1.00 0.00 C ATOM 269 OE1 GLN A 20 -6.314 16.378 8.479 1.00 0.00 O ATOM 270 NE2 GLN A 20 -5.604 17.084 6.520 1.00 0.00 N ATOM 0 H GLN A 20 -4.723 12.804 5.076 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.310 12.153 7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.509 14.333 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.509 14.290 6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.216 14.113 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.504 14.690 6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.179 16.876 5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.875 18.040 6.748 1.00 0.00 H new ATOM 279 N ALA A 21 -7.768 11.568 4.403 1.00 0.00 N ATOM 280 CA ALA A 21 -8.864 10.845 3.776 1.00 0.00 C ATOM 281 C ALA A 21 -8.840 9.350 4.135 1.00 0.00 C ATOM 282 O ALA A 21 -9.894 8.780 4.412 1.00 0.00 O ATOM 283 CB ALA A 21 -8.809 11.071 2.264 1.00 0.00 C ATOM 0 H ALA A 21 -7.059 11.885 3.741 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.810 11.230 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.627 10.533 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.902 12.136 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.858 10.706 1.876 1.00 0.00 H new ATOM 289 N LEU A 22 -7.670 8.701 4.166 1.00 0.00 N ATOM 290 CA LEU A 22 -7.518 7.303 4.583 1.00 0.00 C ATOM 291 C LEU A 22 -7.961 7.149 6.037 1.00 0.00 C ATOM 292 O LEU A 22 -8.590 6.155 6.382 1.00 0.00 O ATOM 293 CB LEU A 22 -6.066 6.797 4.409 1.00 0.00 C ATOM 294 CG LEU A 22 -5.629 6.647 2.939 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.101 6.706 2.800 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.118 5.325 2.355 1.00 0.00 C ATOM 0 H LEU A 22 -6.789 9.140 3.898 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.151 6.693 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.388 7.488 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.965 5.833 4.908 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.074 7.478 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.827 6.597 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.739 7.664 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.652 5.899 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.796 5.245 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.702 4.497 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.206 5.287 2.401 1.00 0.00 H new ATOM 308 N GLU A 23 -7.695 8.139 6.885 1.00 0.00 N ATOM 309 CA GLU A 23 -8.150 8.154 8.265 1.00 0.00 C ATOM 310 C GLU A 23 -9.677 8.271 8.318 1.00 0.00 C ATOM 311 O GLU A 23 -10.341 7.585 9.097 1.00 0.00 O ATOM 312 CB GLU A 23 -7.484 9.334 8.988 1.00 0.00 C ATOM 313 CG GLU A 23 -7.663 9.237 10.507 1.00 0.00 C ATOM 314 CD GLU A 23 -7.591 10.584 11.238 1.00 0.00 C ATOM 315 OE1 GLU A 23 -7.744 11.678 10.640 1.00 0.00 O ATOM 316 OE2 GLU A 23 -7.435 10.560 12.477 1.00 0.00 O ATOM 0 H GLU A 23 -7.150 8.962 6.626 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.872 7.224 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.421 9.357 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.912 10.270 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.626 8.773 10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.895 8.576 10.910 1.00 0.00 H new ATOM 323 N ALA A 24 -10.249 9.114 7.460 1.00 0.00 N ATOM 324 CA ALA A 24 -11.656 9.426 7.461 1.00 0.00 C ATOM 325 C ALA A 24 -12.429 8.179 7.063 1.00 0.00 C ATOM 326 O ALA A 24 -13.518 7.932 7.582 1.00 0.00 O ATOM 327 CB ALA A 24 -11.905 10.570 6.477 1.00 0.00 C ATOM 0 H ALA A 24 -9.726 9.604 6.734 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.989 9.741 8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.967 10.817 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.332 11.445 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.594 10.265 5.478 1.00 0.00 H new ATOM 333 N ILE A 25 -11.842 7.388 6.162 1.00 0.00 N ATOM 334 CA ILE A 25 -12.417 6.150 5.704 1.00 0.00 C ATOM 335 C ILE A 25 -12.184 5.076 6.772 1.00 0.00 C ATOM 336 O ILE A 25 -13.131 4.615 7.413 1.00 0.00 O ATOM 337 CB ILE A 25 -11.817 5.788 4.323 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.193 6.845 3.252 1.00 0.00 C ATOM 339 CG2 ILE A 25 -12.203 4.365 3.879 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.532 6.642 2.548 1.00 0.00 C ATOM 0 H ILE A 25 -10.942 7.604 5.733 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.494 6.236 5.563 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.732 5.799 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.200 7.826 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.407 6.862 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.760 4.155 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.835 3.644 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.288 4.288 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.686 7.441 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.531 5.680 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.336 6.660 3.284 1.00 0.00 H new ATOM 352 N TYR A 26 -10.928 4.707 7.026 1.00 0.00 N ATOM 353 CA TYR A 26 -10.594 3.475 7.730 1.00 0.00 C ATOM 354 C TYR A 26 -10.508 3.660 9.242 1.00 0.00 C ATOM 355 O TYR A 26 -10.926 2.766 9.977 1.00 0.00 O ATOM 356 CB TYR A 26 -9.263 2.932 7.205 1.00 0.00 C ATOM 357 CG TYR A 26 -9.311 2.429 5.770 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.951 1.209 5.467 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.683 3.158 4.743 1.00 0.00 C ATOM 360 CE1 TYR A 26 -10.039 0.762 4.134 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.731 2.697 3.417 1.00 0.00 C ATOM 362 CZ TYR A 26 -9.432 1.513 3.100 1.00 0.00 C ATOM 363 OH TYR A 26 -9.506 1.108 1.800 1.00 0.00 O ATOM 0 H TYR A 26 -10.115 5.257 6.748 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.401 2.767 7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.511 3.717 7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.936 2.118 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.376 0.614 6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.162 4.075 4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.568 -0.151 3.902 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.230 3.250 2.637 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.032 1.749 1.230 1.00 0.00 H new ATOM 373 N GLY A 27 -9.949 4.781 9.709 1.00 0.00 N ATOM 374 CA GLY A 27 -9.966 5.218 11.107 1.00 0.00 C ATOM 375 C GLY A 27 -9.420 4.223 12.131 1.00 0.00 C ATOM 376 O GLY A 27 -9.721 4.349 13.316 1.00 0.00 O ATOM 0 H GLY A 27 -9.454 5.433 9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.391 6.140 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.994 5.460 11.378 1.00 0.00 H new ATOM 380 N SER A 28 -8.691 3.189 11.712 1.00 0.00 N ATOM 381 CA SER A 28 -8.147 2.164 12.593 1.00 0.00 C ATOM 382 C SER A 28 -7.087 1.340 11.867 1.00 0.00 C ATOM 383 O SER A 28 -6.044 1.052 12.450 1.00 0.00 O ATOM 384 CB SER A 28 -9.263 1.225 13.071 1.00 0.00 C ATOM 385 OG SER A 28 -10.159 1.855 13.971 1.00 0.00 O ATOM 0 H SER A 28 -8.459 3.040 10.730 1.00 0.00 H new ATOM 0 HA SER A 28 -7.695 2.663 13.450 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.819 0.859 12.208 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.818 0.356 13.556 1.00 0.00 H new ATOM 0 HG SER A 28 -9.890 2.789 14.100 1.00 0.00 H new ATOM 391 N ASP A 29 -7.351 0.933 10.622 1.00 0.00 N ATOM 392 CA ASP A 29 -6.398 0.128 9.851 1.00 0.00 C ATOM 393 C ASP A 29 -5.146 0.936 9.512 1.00 0.00 C ATOM 394 O ASP A 29 -4.069 0.361 9.404 1.00 0.00 O ATOM 395 CB ASP A 29 -7.059 -0.439 8.584 1.00 0.00 C ATOM 396 CG ASP A 29 -6.569 0.179 7.286 1.00 0.00 C ATOM 397 OD1 ASP A 29 -6.817 1.385 7.120 1.00 0.00 O ATOM 398 OD2 ASP A 29 -5.935 -0.553 6.501 1.00 0.00 O ATOM 0 H ASP A 29 -8.216 1.147 10.126 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.088 -0.715 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.884 -1.514 8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.137 -0.294 8.656 1.00 0.00 H new ATOM 403 N PHE A 30 -5.295 2.252 9.372 1.00 0.00 N ATOM 404 CA PHE A 30 -4.283 3.208 8.975 1.00 0.00 C ATOM 405 C PHE A 30 -3.395 3.562 10.163 1.00 0.00 C ATOM 406 O PHE A 30 -3.816 4.274 11.076 1.00 0.00 O ATOM 407 CB PHE A 30 -4.994 4.432 8.374 1.00 0.00 C ATOM 408 CG PHE A 30 -4.095 5.606 8.024 1.00 0.00 C ATOM 409 CD1 PHE A 30 -2.750 5.408 7.656 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.599 6.918 8.098 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.920 6.507 7.407 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.775 8.016 7.798 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.434 7.814 7.439 1.00 0.00 C ATOM 0 H PHE A 30 -6.193 2.702 9.547 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.621 2.788 8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.520 4.118 7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.750 4.774 9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.358 4.406 7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.626 7.082 8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.874 6.349 7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.175 9.018 7.844 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.803 8.655 7.190 1.00 0.00 H new ATOM 423 N GLN A 31 -2.150 3.088 10.128 1.00 0.00 N ATOM 424 CA GLN A 31 -1.083 3.462 11.016 1.00 0.00 C ATOM 425 C GLN A 31 -0.183 4.381 10.208 1.00 0.00 C ATOM 426 O GLN A 31 0.490 3.974 9.253 1.00 0.00 O ATOM 427 CB GLN A 31 -0.346 2.206 11.479 1.00 0.00 C ATOM 428 CG GLN A 31 0.617 2.498 12.615 1.00 0.00 C ATOM 429 CD GLN A 31 1.552 1.325 12.932 1.00 0.00 C ATOM 430 OE1 GLN A 31 1.757 0.405 12.142 1.00 0.00 O ATOM 431 NE2 GLN A 31 2.197 1.357 14.088 1.00 0.00 N ATOM 0 H GLN A 31 -1.857 2.397 9.437 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.436 3.968 11.914 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.071 1.458 11.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.202 1.777 10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.216 3.372 12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.048 2.752 13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.029 2.119 14.745 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.862 0.620 14.322 1.00 0.00 H new ATOM 440 N ASP A 32 -0.248 5.647 10.576 1.00 0.00 N ATOM 441 CA ASP A 32 0.566 6.711 10.035 1.00 0.00 C ATOM 442 C ASP A 32 1.872 6.705 10.820 1.00 0.00 C ATOM 443 O ASP A 32 1.876 6.987 12.018 1.00 0.00 O ATOM 444 CB ASP A 32 -0.207 8.023 10.164 1.00 0.00 C ATOM 445 CG ASP A 32 0.403 9.125 9.303 1.00 0.00 C ATOM 446 OD1 ASP A 32 0.838 8.825 8.169 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.455 10.284 9.782 1.00 0.00 O ATOM 0 H ASP A 32 -0.899 5.972 11.291 1.00 0.00 H new ATOM 0 HA ASP A 32 0.796 6.583 8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.245 7.864 9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.216 8.339 11.207 1.00 0.00 H new ATOM 452 N LEU A 33 2.964 6.231 10.214 1.00 0.00 N ATOM 453 CA LEU A 33 4.177 5.931 10.977 1.00 0.00 C ATOM 454 C LEU A 33 4.960 7.208 11.283 1.00 0.00 C ATOM 455 O LEU A 33 5.577 7.320 12.350 1.00 0.00 O ATOM 456 CB LEU A 33 5.067 4.898 10.255 1.00 0.00 C ATOM 457 CG LEU A 33 4.323 3.611 9.836 1.00 0.00 C ATOM 458 CD1 LEU A 33 5.183 2.752 8.905 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.910 2.777 11.049 1.00 0.00 C ATOM 0 H LEU A 33 3.033 6.049 9.213 1.00 0.00 H new ATOM 0 HA LEU A 33 3.865 5.487 11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.497 5.362 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.897 4.629 10.908 1.00 0.00 H new ATOM 0 HG LEU A 33 3.425 3.928 9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.632 1.853 8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.427 3.320 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.103 2.470 9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.389 1.880 10.714 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.798 2.492 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.248 3.364 11.686 1.00 0.00 H new ATOM 641 N PRO A 44 9.716 10.372 3.730 1.00 0.00 N ATOM 642 CA PRO A 44 8.512 9.986 2.997 1.00 0.00 C ATOM 643 C PRO A 44 7.343 9.724 3.974 1.00 0.00 C ATOM 644 O PRO A 44 7.590 9.532 5.168 1.00 0.00 O ATOM 645 CB PRO A 44 8.946 8.736 2.232 1.00 0.00 C ATOM 646 CG PRO A 44 9.955 8.065 3.159 1.00 0.00 C ATOM 647 CD PRO A 44 10.623 9.242 3.866 1.00 0.00 C ATOM 0 HA PRO A 44 8.138 10.756 2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.099 8.082 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.395 8.992 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.467 7.395 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.677 7.468 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.803 9.013 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.591 9.465 3.418 1.00 0.00 H new ATOM 655 N PRO A 45 6.068 9.739 3.542 1.00 0.00 N ATOM 656 CA PRO A 45 4.941 9.349 4.388 1.00 0.00 C ATOM 657 C PRO A 45 4.911 7.823 4.499 1.00 0.00 C ATOM 658 O PRO A 45 4.237 7.138 3.729 1.00 0.00 O ATOM 659 CB PRO A 45 3.700 9.926 3.707 1.00 0.00 C ATOM 660 CG PRO A 45 4.082 9.899 2.233 1.00 0.00 C ATOM 661 CD PRO A 45 5.592 10.161 2.234 1.00 0.00 C ATOM 0 HA PRO A 45 5.006 9.727 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.813 9.325 3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.483 10.938 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.844 8.938 1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.545 10.661 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.086 9.602 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.806 11.216 2.062 1.00 0.00 H new ATOM 669 N GLU A 46 5.692 7.274 5.422 1.00 0.00 N ATOM 670 CA GLU A 46 5.742 5.839 5.643 1.00 0.00 C ATOM 671 C GLU A 46 4.467 5.457 6.398 1.00 0.00 C ATOM 672 O GLU A 46 4.164 6.057 7.433 1.00 0.00 O ATOM 673 CB GLU A 46 7.055 5.471 6.360 1.00 0.00 C ATOM 674 CG GLU A 46 7.570 4.087 5.930 1.00 0.00 C ATOM 675 CD GLU A 46 9.015 3.835 6.386 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.922 4.630 6.049 1.00 0.00 O ATOM 677 OE2 GLU A 46 9.303 2.810 7.042 1.00 0.00 O ATOM 0 H GLU A 46 6.305 7.811 6.035 1.00 0.00 H new ATOM 0 HA GLU A 46 5.760 5.265 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.812 6.225 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.896 5.481 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.921 3.316 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.514 4.002 4.845 1.00 0.00 H new ATOM 684 N ILE A 47 3.685 4.525 5.850 1.00 0.00 N ATOM 685 CA ILE A 47 2.395 4.111 6.395 1.00 0.00 C ATOM 686 C ILE A 47 2.251 2.602 6.283 1.00 0.00 C ATOM 687 O ILE A 47 2.935 1.947 5.485 1.00 0.00 O ATOM 688 CB ILE A 47 1.214 4.812 5.689 1.00 0.00 C ATOM 689 CG1 ILE A 47 1.015 4.356 4.222 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.373 6.336 5.741 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.252 3.522 4.029 1.00 0.00 C ATOM 0 H ILE A 47 3.938 4.027 4.996 1.00 0.00 H new ATOM 0 HA ILE A 47 2.367 4.407 7.444 1.00 0.00 H new ATOM 0 HB ILE A 47 0.321 4.515 6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.969 5.233 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.880 3.773 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.529 6.807 5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.404 6.663 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.299 6.622 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.340 3.230 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.198 2.629 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.123 4.112 4.316 1.00 0.00 H new ATOM 703 N ASN A 48 1.311 2.055 7.041 1.00 0.00 N ATOM 704 CA ASN A 48 1.006 0.650 7.062 1.00 0.00 C ATOM 705 C ASN A 48 -0.513 0.520 7.180 1.00 0.00 C ATOM 706 O ASN A 48 -1.098 1.178 8.046 1.00 0.00 O ATOM 707 CB ASN A 48 1.767 0.104 8.269 1.00 0.00 C ATOM 708 CG ASN A 48 1.456 -1.343 8.525 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.929 -2.207 7.792 1.00 0.00 O ATOM 710 ND2 ASN A 48 0.720 -1.608 9.582 1.00 0.00 N ATOM 0 H ASN A 48 0.728 2.602 7.674 1.00 0.00 H new ATOM 0 HA ASN A 48 1.301 0.093 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.838 0.221 8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.514 0.691 9.152 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.514 -2.576 9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.355 -0.846 10.153 1.00 0.00 H new ATOM 717 N LEU A 49 -1.150 -0.254 6.297 1.00 0.00 N ATOM 718 CA LEU A 49 -2.602 -0.470 6.205 1.00 0.00 C ATOM 719 C LEU A 49 -2.853 -1.972 6.403 1.00 0.00 C ATOM 720 O LEU A 49 -2.061 -2.807 5.950 1.00 0.00 O ATOM 721 CB LEU A 49 -3.155 0.050 4.849 1.00 0.00 C ATOM 722 CG LEU A 49 -3.258 1.592 4.735 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.506 2.106 3.307 1.00 0.00 C ATOM 724 CD2 LEU A 49 -4.394 2.182 5.558 1.00 0.00 C ATOM 0 H LEU A 49 -0.640 -0.778 5.586 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.131 0.091 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.514 -0.317 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.144 -0.379 4.688 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.281 1.909 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.565 3.194 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.686 1.793 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.443 1.696 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.410 3.265 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.343 1.764 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.245 1.940 6.610 1.00 0.00 H new ATOM 736 N VAL A 50 -3.930 -2.336 7.095 1.00 0.00 N ATOM 737 CA VAL A 50 -4.184 -3.666 7.650 1.00 0.00 C ATOM 738 C VAL A 50 -5.559 -4.120 7.163 1.00 0.00 C ATOM 739 O VAL A 50 -6.592 -3.797 7.758 1.00 0.00 O ATOM 740 CB VAL A 50 -4.092 -3.604 9.187 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.435 -4.941 9.864 1.00 0.00 C ATOM 742 CG2 VAL A 50 -2.685 -3.220 9.653 1.00 0.00 C ATOM 0 H VAL A 50 -4.686 -1.681 7.294 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.442 -4.392 7.317 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.822 -2.848 9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.352 -4.833 10.945 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.454 -5.229 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.742 -5.710 9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.659 -3.186 10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.969 -3.960 9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.424 -2.240 9.253 1.00 0.00 H new ATOM 752 N LEU A 51 -5.570 -4.903 6.090 1.00 0.00 N ATOM 753 CA LEU A 51 -6.756 -5.157 5.291 1.00 0.00 C ATOM 754 C LEU A 51 -6.960 -6.675 5.203 1.00 0.00 C ATOM 755 O LEU A 51 -6.005 -7.450 5.326 1.00 0.00 O ATOM 756 CB LEU A 51 -6.572 -4.496 3.915 1.00 0.00 C ATOM 757 CG LEU A 51 -6.293 -2.977 3.906 1.00 0.00 C ATOM 758 CD1 LEU A 51 -5.511 -2.615 2.640 1.00 0.00 C ATOM 759 CD2 LEU A 51 -7.602 -2.183 3.929 1.00 0.00 C ATOM 0 H LEU A 51 -4.739 -5.386 5.748 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.652 -4.728 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.749 -4.996 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.471 -4.680 3.326 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.714 -2.725 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.312 -1.543 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.567 -3.160 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.097 -2.884 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.380 -1.116 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.196 -2.436 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.162 -2.431 4.830 1.00 0.00 H new ATOM 771 N TYR A 52 -8.215 -7.098 5.043 1.00 0.00 N ATOM 772 CA TYR A 52 -8.679 -8.473 5.246 1.00 0.00 C ATOM 773 C TYR A 52 -9.677 -8.819 4.113 1.00 0.00 C ATOM 774 O TYR A 52 -10.183 -7.894 3.474 1.00 0.00 O ATOM 775 CB TYR A 52 -9.297 -8.567 6.662 1.00 0.00 C ATOM 776 CG TYR A 52 -8.336 -8.360 7.834 1.00 0.00 C ATOM 777 CD1 TYR A 52 -7.890 -7.076 8.215 1.00 0.00 C ATOM 778 CD2 TYR A 52 -7.912 -9.464 8.600 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.016 -6.918 9.294 1.00 0.00 C ATOM 780 CE2 TYR A 52 -7.018 -9.316 9.671 1.00 0.00 C ATOM 781 CZ TYR A 52 -6.519 -8.040 9.990 1.00 0.00 C ATOM 782 OH TYR A 52 -5.579 -7.914 10.966 1.00 0.00 O ATOM 0 H TYR A 52 -8.965 -6.469 4.758 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.870 -9.201 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.094 -7.827 6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.761 -9.547 6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.227 -6.208 7.668 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.284 -10.448 8.357 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.718 -5.926 9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.714 -10.177 10.248 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.536 -8.742 11.488 1.00 0.00 H new ATOM 792 N PRO A 53 -9.974 -10.102 3.818 1.00 0.00 N ATOM 793 CA PRO A 53 -10.941 -10.478 2.796 1.00 0.00 C ATOM 794 C PRO A 53 -12.351 -10.178 3.294 1.00 0.00 C ATOM 795 O PRO A 53 -12.555 -10.066 4.504 1.00 0.00 O ATOM 796 CB PRO A 53 -10.753 -11.982 2.592 1.00 0.00 C ATOM 797 CG PRO A 53 -10.199 -12.505 3.905 1.00 0.00 C ATOM 798 CD PRO A 53 -9.601 -11.271 4.587 1.00 0.00 C ATOM 0 HA PRO A 53 -10.798 -9.928 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.698 -12.465 2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.067 -12.183 1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.982 -12.955 4.515 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.443 -13.273 3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.969 -11.186 5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.516 -11.357 4.645 1.00 0.00 H new ATOM 896 N VAL A 61 -11.176 -14.991 9.886 1.00 0.00 N ATOM 897 CA VAL A 61 -10.404 -14.815 8.652 1.00 0.00 C ATOM 898 C VAL A 61 -9.465 -16.023 8.429 1.00 0.00 C ATOM 899 O VAL A 61 -9.421 -16.961 9.225 1.00 0.00 O ATOM 900 CB VAL A 61 -9.722 -13.419 8.723 1.00 0.00 C ATOM 901 CG1 VAL A 61 -9.180 -13.021 7.353 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.693 -12.324 9.212 1.00 0.00 C ATOM 0 HA VAL A 61 -11.028 -14.811 7.759 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.906 -13.502 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.706 -12.042 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.447 -13.757 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.000 -12.979 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.174 -11.366 9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.538 -12.255 8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.054 -12.577 10.209 1.00 0.00 H new ATOM 912 N TYR A 62 -8.780 -16.050 7.286 1.00 0.00 N ATOM 913 CA TYR A 62 -7.967 -17.174 6.816 1.00 0.00 C ATOM 914 C TYR A 62 -6.681 -16.681 6.166 1.00 0.00 C ATOM 915 O TYR A 62 -5.639 -17.316 6.299 1.00 0.00 O ATOM 916 CB TYR A 62 -8.757 -17.995 5.785 1.00 0.00 C ATOM 917 CG TYR A 62 -9.801 -18.901 6.398 1.00 0.00 C ATOM 918 CD1 TYR A 62 -11.052 -18.396 6.800 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.503 -20.262 6.588 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.995 -19.244 7.405 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.446 -21.113 7.181 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.702 -20.614 7.579 1.00 0.00 C ATOM 923 OH TYR A 62 -12.601 -21.460 8.154 1.00 0.00 O ATOM 0 H TYR A 62 -8.775 -15.262 6.638 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.717 -17.792 7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.245 -17.313 5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -8.060 -18.600 5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.288 -17.354 6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.546 -20.653 6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.943 -18.848 7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.209 -22.156 7.333 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.224 -22.364 8.188 1.00 0.00 H new ATOM 933 N VAL A 63 -6.757 -15.557 5.457 1.00 0.00 N ATOM 934 CA VAL A 63 -5.661 -14.895 4.776 1.00 0.00 C ATOM 935 C VAL A 63 -5.794 -13.416 5.125 1.00 0.00 C ATOM 936 O VAL A 63 -6.910 -12.913 5.221 1.00 0.00 O ATOM 937 CB VAL A 63 -5.747 -15.132 3.249 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.404 -16.570 2.843 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.138 -14.793 2.684 1.00 0.00 C ATOM 0 H VAL A 63 -7.640 -15.060 5.339 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.691 -15.283 5.087 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.002 -14.458 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.483 -16.671 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.386 -16.804 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.099 -17.259 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.149 -14.975 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.889 -15.419 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.363 -13.744 2.876 1.00 0.00 H new ATOM 949 N GLN A 64 -4.687 -12.706 5.286 1.00 0.00 N ATOM 950 CA GLN A 64 -4.628 -11.249 5.404 1.00 0.00 C ATOM 951 C GLN A 64 -3.198 -10.804 5.116 1.00 0.00 C ATOM 952 O GLN A 64 -2.319 -11.651 4.930 1.00 0.00 O ATOM 953 CB GLN A 64 -5.194 -10.728 6.745 1.00 0.00 C ATOM 954 CG GLN A 64 -4.606 -11.313 8.038 1.00 0.00 C ATOM 955 CD GLN A 64 -3.353 -10.570 8.508 1.00 0.00 C ATOM 956 OE1 GLN A 64 -2.283 -10.714 7.936 1.00 0.00 O ATOM 957 NE2 GLN A 64 -3.439 -9.797 9.574 1.00 0.00 N ATOM 0 H GLN A 64 -3.767 -13.143 5.341 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.286 -10.794 4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.055 -9.647 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.268 -10.912 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.361 -11.277 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.362 -12.363 7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.334 -9.680 10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.610 -9.317 9.924 1.00 0.00 H new ATOM 966 N VAL A 65 -2.969 -9.499 4.980 1.00 0.00 N ATOM 967 CA VAL A 65 -1.623 -8.977 4.838 1.00 0.00 C ATOM 968 C VAL A 65 -1.539 -7.586 5.453 1.00 0.00 C ATOM 969 O VAL A 65 -2.561 -6.913 5.626 1.00 0.00 O ATOM 970 CB VAL A 65 -1.216 -9.059 3.351 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.884 -8.016 2.449 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.290 -8.981 3.153 1.00 0.00 C ATOM 0 H VAL A 65 -3.701 -8.789 4.966 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.896 -9.574 5.389 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.579 -10.040 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.540 -8.148 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.966 -8.141 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.622 -7.016 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.521 -9.043 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.661 -8.036 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.769 -9.808 3.677 1.00 0.00 H new ATOM 982 N GLU A 66 -0.330 -7.129 5.756 1.00 0.00 N ATOM 983 CA GLU A 66 -0.002 -5.737 6.007 1.00 0.00 C ATOM 984 C GLU A 66 0.506 -5.143 4.694 1.00 0.00 C ATOM 985 O GLU A 66 1.443 -5.680 4.097 1.00 0.00 O ATOM 986 CB GLU A 66 1.043 -5.647 7.129 1.00 0.00 C ATOM 987 CG GLU A 66 0.399 -4.999 8.356 1.00 0.00 C ATOM 988 CD GLU A 66 1.379 -4.743 9.504 1.00 0.00 C ATOM 989 OE1 GLU A 66 2.612 -4.952 9.379 1.00 0.00 O ATOM 990 OE2 GLU A 66 0.922 -4.250 10.553 1.00 0.00 O ATOM 0 H GLU A 66 0.479 -7.745 5.836 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.872 -5.172 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.414 -6.641 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.900 -5.060 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.055 -4.053 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.406 -5.641 8.714 1.00 0.00 H new ATOM 997 N LEU A 67 -0.146 -4.081 4.218 1.00 0.00 N ATOM 998 CA LEU A 67 0.151 -3.338 3.008 1.00 0.00 C ATOM 999 C LEU A 67 0.983 -2.139 3.449 1.00 0.00 C ATOM 1000 O LEU A 67 0.529 -1.332 4.259 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.177 -2.920 2.343 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.954 -1.972 1.148 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.567 -2.512 -0.146 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.502 -0.565 1.408 1.00 0.00 C ATOM 0 H LEU A 67 -0.953 -3.696 4.709 1.00 0.00 H new ATOM 0 HA LEU A 67 0.705 -3.919 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.708 -3.810 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.813 -2.430 3.080 1.00 0.00 H new ATOM 0 HG LEU A 67 0.128 -1.913 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.383 -1.808 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.114 -3.473 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.641 -2.640 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.320 0.063 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.574 -0.621 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.003 -0.135 2.276 1.00 0.00 H new ATOM 1016 N ARG A 68 2.216 -2.040 2.961 1.00 0.00 N ATOM 1017 CA ARG A 68 3.235 -1.151 3.504 1.00 0.00 C ATOM 1018 C ARG A 68 3.657 -0.196 2.399 1.00 0.00 C ATOM 1019 O ARG A 68 4.259 -0.630 1.415 1.00 0.00 O ATOM 1020 CB ARG A 68 4.381 -2.029 4.048 1.00 0.00 C ATOM 1021 CG ARG A 68 4.781 -1.688 5.486 1.00 0.00 C ATOM 1022 CD ARG A 68 5.541 -0.370 5.615 1.00 0.00 C ATOM 1023 NE ARG A 68 6.773 -0.367 4.812 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.991 -0.728 5.215 1.00 0.00 C ATOM 1025 NH1 ARG A 68 8.236 -1.056 6.485 1.00 0.00 N ATOM 1026 NH2 ARG A 68 8.965 -0.737 4.311 1.00 0.00 N ATOM 0 H ARG A 68 2.540 -2.586 2.162 1.00 0.00 H new ATOM 0 HA ARG A 68 2.879 -0.539 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.080 -3.076 4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.251 -1.919 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.883 -1.641 6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.399 -2.494 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.899 0.452 5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.789 -0.195 6.662 1.00 0.00 H new ATOM 0 HE ARG A 68 6.686 -0.056 3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.482 -1.034 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.177 -1.329 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.767 -0.473 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.910 -1.008 4.582 1.00 0.00 H new ATOM 1040 N VAL A 69 3.312 1.086 2.491 1.00 0.00 N ATOM 1041 CA VAL A 69 3.608 2.063 1.440 1.00 0.00 C ATOM 1042 C VAL A 69 4.550 3.102 2.044 1.00 0.00 C ATOM 1043 O VAL A 69 4.435 3.448 3.221 1.00 0.00 O ATOM 1044 CB VAL A 69 2.310 2.688 0.865 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.596 3.536 -0.386 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.266 1.653 0.420 1.00 0.00 C ATOM 0 H VAL A 69 2.820 1.479 3.294 1.00 0.00 H new ATOM 0 HA VAL A 69 4.092 1.585 0.588 1.00 0.00 H new ATOM 0 HB VAL A 69 1.922 3.282 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.663 3.958 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.282 4.343 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.046 2.909 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.388 2.167 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.691 1.019 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.978 1.038 1.272 1.00 0.00 H new ATOM 1056 N LYS A 70 5.487 3.610 1.237 1.00 0.00 N ATOM 1057 CA LYS A 70 6.292 4.770 1.621 1.00 0.00 C ATOM 1058 C LYS A 70 5.895 6.045 0.886 1.00 0.00 C ATOM 1059 O LYS A 70 6.028 7.108 1.464 1.00 0.00 O ATOM 1060 CB LYS A 70 7.793 4.486 1.472 1.00 0.00 C ATOM 1061 CG LYS A 70 8.165 3.954 0.080 1.00 0.00 C ATOM 1062 CD LYS A 70 9.665 4.040 -0.195 1.00 0.00 C ATOM 1063 CE LYS A 70 10.140 5.474 -0.468 1.00 0.00 C ATOM 1064 NZ LYS A 70 11.252 5.487 -1.439 1.00 0.00 N ATOM 0 H LYS A 70 5.705 3.235 0.314 1.00 0.00 H new ATOM 0 HA LYS A 70 6.082 4.947 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.352 5.401 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.097 3.760 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.841 2.917 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.626 4.522 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.210 3.638 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.909 3.412 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.311 6.069 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.461 5.938 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.555 6.468 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.050 4.938 -1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.935 5.065 -2.335 1.00 0.00 H new ATOM 1078 N CYS A 71 5.440 5.946 -0.367 1.00 0.00 N ATOM 1079 CA CYS A 71 5.460 7.003 -1.377 1.00 0.00 C ATOM 1080 C CYS A 71 6.867 7.603 -1.566 1.00 0.00 C ATOM 1081 O CYS A 71 7.444 8.166 -0.636 1.00 0.00 O ATOM 1082 CB CYS A 71 4.462 8.118 -1.052 1.00 0.00 C ATOM 1083 SG CYS A 71 2.768 7.483 -1.060 1.00 0.00 S ATOM 0 H CYS A 71 5.028 5.082 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 71 5.163 6.530 -2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.691 8.544 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.558 8.922 -1.781 1.00 0.00 H new ATOM 0 HG CYS A 71 2.112 8.009 -2.051 1.00 0.00 H new ATOM 1089 N PRO A 72 7.453 7.570 -2.773 1.00 0.00 N ATOM 1090 CA PRO A 72 8.561 8.463 -3.063 1.00 0.00 C ATOM 1091 C PRO A 72 8.084 9.918 -2.944 1.00 0.00 C ATOM 1092 O PRO A 72 6.890 10.198 -3.113 1.00 0.00 O ATOM 1093 CB PRO A 72 9.027 8.130 -4.477 1.00 0.00 C ATOM 1094 CG PRO A 72 7.814 7.466 -5.122 1.00 0.00 C ATOM 1095 CD PRO A 72 7.066 6.829 -3.956 1.00 0.00 C ATOM 0 HA PRO A 72 9.388 8.340 -2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.326 9.027 -5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.888 7.462 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.192 8.194 -5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.114 6.719 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.988 6.879 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.325 5.775 -3.857 1.00 0.00 H new ATOM 1103 N PRO A 73 8.997 10.875 -2.728 1.00 0.00 N ATOM 1104 CA PRO A 73 8.643 12.283 -2.637 1.00 0.00 C ATOM 1105 C PRO A 73 8.107 12.882 -3.952 1.00 0.00 C ATOM 1106 O PRO A 73 7.812 14.076 -3.971 1.00 0.00 O ATOM 1107 CB PRO A 73 9.875 13.005 -2.084 1.00 0.00 C ATOM 1108 CG PRO A 73 11.032 12.005 -2.146 1.00 0.00 C ATOM 1109 CD PRO A 73 10.419 10.657 -2.520 1.00 0.00 C ATOM 0 HA PRO A 73 7.795 12.414 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.100 13.894 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.703 13.336 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.772 12.313 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.545 11.945 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.884 10.260 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.585 9.926 -1.729 1.00 0.00 H new ATOM 1117 N THR A 74 7.941 12.092 -5.020 1.00 0.00 N ATOM 1118 CA THR A 74 7.289 12.460 -6.273 1.00 0.00 C ATOM 1119 C THR A 74 5.887 11.855 -6.447 1.00 0.00 C ATOM 1120 O THR A 74 5.134 12.336 -7.286 1.00 0.00 O ATOM 1121 CB THR A 74 8.191 12.047 -7.447 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.705 10.741 -7.219 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.375 12.996 -7.584 1.00 0.00 C ATOM 0 H THR A 74 8.277 11.129 -5.029 1.00 0.00 H new ATOM 0 HA THR A 74 7.146 13.540 -6.251 1.00 0.00 H new ATOM 0 HB THR A 74 7.590 12.076 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.278 10.479 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.998 12.682 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.011 14.008 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.964 12.978 -6.667 1.00 0.00 H new ATOM 1131 N TYR A 75 5.494 10.816 -5.699 1.00 0.00 N ATOM 1132 CA TYR A 75 4.172 10.196 -5.866 1.00 0.00 C ATOM 1133 C TYR A 75 3.080 11.276 -5.716 1.00 0.00 C ATOM 1134 O TYR A 75 3.220 12.113 -4.819 1.00 0.00 O ATOM 1135 CB TYR A 75 4.029 9.057 -4.841 1.00 0.00 C ATOM 1136 CG TYR A 75 2.611 8.588 -4.552 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.722 9.396 -3.816 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.170 7.342 -5.027 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.388 9.006 -3.617 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.848 6.920 -4.800 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.063 7.769 -4.124 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.370 7.416 -3.962 1.00 0.00 O ATOM 0 H TYR A 75 6.070 10.388 -4.974 1.00 0.00 H new ATOM 0 HA TYR A 75 4.060 9.763 -6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.607 8.203 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.481 9.381 -3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.072 10.329 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.851 6.704 -5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.290 9.651 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.526 5.947 -5.141 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.892 8.204 -3.702 1.00 0.00 H new ATOM 1152 N PRO A 76 1.976 11.265 -6.492 1.00 0.00 N ATOM 1153 CA PRO A 76 1.540 10.239 -7.447 1.00 0.00 C ATOM 1154 C PRO A 76 2.113 10.379 -8.874 1.00 0.00 C ATOM 1155 O PRO A 76 1.613 9.714 -9.784 1.00 0.00 O ATOM 1156 CB PRO A 76 0.010 10.367 -7.462 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.199 11.866 -7.278 1.00 0.00 C ATOM 1158 CD PRO A 76 0.899 12.226 -6.282 1.00 0.00 C ATOM 0 HA PRO A 76 1.907 9.263 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.418 10.010 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.453 9.792 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.091 12.410 -8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.192 12.094 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.251 13.245 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.527 12.175 -5.259 1.00 0.00 H new ATOM 1166 N ASP A 77 3.128 11.220 -9.109 1.00 0.00 N ATOM 1167 CA ASP A 77 3.792 11.329 -10.423 1.00 0.00 C ATOM 1168 C ASP A 77 4.378 9.995 -10.877 1.00 0.00 C ATOM 1169 O ASP A 77 4.427 9.663 -12.061 1.00 0.00 O ATOM 1170 CB ASP A 77 4.947 12.329 -10.324 1.00 0.00 C ATOM 1171 CG ASP A 77 5.713 12.473 -11.628 1.00 0.00 C ATOM 1172 OD1 ASP A 77 5.046 12.587 -12.668 1.00 0.00 O ATOM 1173 OD2 ASP A 77 6.967 12.531 -11.576 1.00 0.00 O ATOM 0 H ASP A 77 3.514 11.843 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 77 3.039 11.651 -11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.555 13.302 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.632 12.010 -9.539 1.00 0.00 H new ATOM 1178 N VAL A 78 4.812 9.199 -9.908 1.00 0.00 N ATOM 1179 CA VAL A 78 5.442 7.916 -10.121 1.00 0.00 C ATOM 1180 C VAL A 78 4.754 6.915 -9.210 1.00 0.00 C ATOM 1181 O VAL A 78 4.145 7.279 -8.195 1.00 0.00 O ATOM 1182 CB VAL A 78 6.963 8.035 -9.894 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.579 9.240 -10.629 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.307 8.156 -8.404 1.00 0.00 C ATOM 0 H VAL A 78 4.729 9.443 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 78 5.331 7.565 -11.147 1.00 0.00 H new ATOM 0 HB VAL A 78 7.387 7.117 -10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.651 9.276 -10.435 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.408 9.139 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.115 10.160 -10.273 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.387 8.238 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.828 9.044 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.950 7.272 -7.875 1.00 0.00 H new ATOM 1194 N VAL A 79 4.861 5.647 -9.580 1.00 0.00 N ATOM 1195 CA VAL A 79 4.327 4.567 -8.781 1.00 0.00 C ATOM 1196 C VAL A 79 5.089 4.486 -7.455 1.00 0.00 C ATOM 1197 O VAL A 79 6.315 4.671 -7.433 1.00 0.00 O ATOM 1198 CB VAL A 79 4.359 3.259 -9.577 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.342 3.361 -10.712 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.711 2.938 -10.211 1.00 0.00 C ATOM 0 H VAL A 79 5.319 5.344 -10.440 1.00 0.00 H new ATOM 0 HA VAL A 79 3.281 4.755 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 79 4.137 2.465 -8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.350 2.438 -11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.347 3.520 -10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.602 4.198 -11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.643 1.996 -10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.988 3.736 -10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.468 2.853 -9.431 1.00 0.00 H new ATOM 1210 N PRO A 80 4.382 4.242 -6.340 1.00 0.00 N ATOM 1211 CA PRO A 80 5.014 4.039 -5.057 1.00 0.00 C ATOM 1212 C PRO A 80 5.725 2.686 -5.031 1.00 0.00 C ATOM 1213 O PRO A 80 5.368 1.764 -5.765 1.00 0.00 O ATOM 1214 CB PRO A 80 3.884 4.133 -4.026 1.00 0.00 C ATOM 1215 CG PRO A 80 2.627 3.724 -4.795 1.00 0.00 C ATOM 1216 CD PRO A 80 2.947 4.020 -6.255 1.00 0.00 C ATOM 0 HA PRO A 80 5.784 4.780 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.064 3.471 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.794 5.143 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.399 2.668 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.757 4.288 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.647 3.188 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.400 4.898 -6.599 1.00 0.00 H new ATOM 1224 N GLU A 81 6.690 2.555 -4.120 1.00 0.00 N ATOM 1225 CA GLU A 81 7.084 1.238 -3.647 1.00 0.00 C ATOM 1226 C GLU A 81 5.931 0.704 -2.810 1.00 0.00 C ATOM 1227 O GLU A 81 5.314 1.425 -2.013 1.00 0.00 O ATOM 1228 CB GLU A 81 8.343 1.311 -2.776 1.00 0.00 C ATOM 1229 CG GLU A 81 9.646 1.394 -3.578 1.00 0.00 C ATOM 1230 CD GLU A 81 10.146 0.076 -4.180 1.00 0.00 C ATOM 1231 OE1 GLU A 81 10.893 -0.661 -3.491 1.00 0.00 O ATOM 1232 OE2 GLU A 81 9.934 -0.150 -5.391 1.00 0.00 O ATOM 0 H GLU A 81 7.202 3.333 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 81 7.306 0.592 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.272 2.182 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.379 0.433 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.507 2.111 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.425 1.793 -2.929 1.00 0.00 H new ATOM 1239 N ILE A 82 5.705 -0.582 -2.993 1.00 0.00 N ATOM 1240 CA ILE A 82 4.697 -1.415 -2.382 1.00 0.00 C ATOM 1241 C ILE A 82 5.465 -2.439 -1.540 1.00 0.00 C ATOM 1242 O ILE A 82 6.621 -2.764 -1.817 1.00 0.00 O ATOM 1243 CB ILE A 82 3.839 -2.027 -3.525 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.898 -0.952 -4.126 1.00 0.00 C ATOM 1245 CG2 ILE A 82 3.008 -3.251 -3.098 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.530 -1.224 -5.590 1.00 0.00 C ATOM 0 H ILE A 82 6.283 -1.120 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 82 4.000 -0.893 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 82 4.551 -2.377 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.986 -0.903 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.378 0.024 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.438 -3.619 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.674 -4.036 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.323 -2.965 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.870 -0.436 -5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.436 -1.244 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.022 -2.186 -5.665 1.00 0.00 H new ATOM 1258 N ASP A 83 4.841 -2.966 -0.495 1.00 0.00 N ATOM 1259 CA ASP A 83 5.402 -4.064 0.265 1.00 0.00 C ATOM 1260 C ASP A 83 4.253 -4.806 0.905 1.00 0.00 C ATOM 1261 O ASP A 83 3.272 -4.176 1.307 1.00 0.00 O ATOM 1262 CB ASP A 83 6.393 -3.587 1.337 1.00 0.00 C ATOM 1263 CG ASP A 83 7.738 -4.294 1.231 1.00 0.00 C ATOM 1264 OD1 ASP A 83 7.767 -5.501 0.895 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.763 -3.661 1.579 1.00 0.00 O ATOM 0 H ASP A 83 3.935 -2.643 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 83 5.967 -4.712 -0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.541 -2.511 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.969 -3.763 2.326 1.00 0.00 H new ATOM 1270 N LEU A 84 4.388 -6.125 1.012 1.00 0.00 N ATOM 1271 CA LEU A 84 3.449 -6.976 1.723 1.00 0.00 C ATOM 1272 C LEU A 84 4.241 -7.619 2.847 1.00 0.00 C ATOM 1273 O LEU A 84 5.335 -8.155 2.624 1.00 0.00 O ATOM 1274 CB LEU A 84 2.802 -8.051 0.831 1.00 0.00 C ATOM 1275 CG LEU A 84 1.652 -7.652 -0.130 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.237 -6.176 -0.166 1.00 0.00 C ATOM 1277 CD2 LEU A 84 1.995 -8.090 -1.552 1.00 0.00 C ATOM 0 H LEU A 84 5.167 -6.637 0.599 1.00 0.00 H new ATOM 0 HA LEU A 84 2.615 -6.378 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.594 -8.495 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.423 -8.835 1.486 1.00 0.00 H new ATOM 0 HG LEU A 84 0.789 -8.171 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.424 -6.044 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.903 -5.868 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.088 -5.566 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.185 -7.808 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.917 -7.603 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.128 -9.172 -1.577 1.00 0.00 H new ATOM 1289 N LYS A 85 3.709 -7.536 4.061 1.00 0.00 N ATOM 1290 CA LYS A 85 4.324 -8.076 5.263 1.00 0.00 C ATOM 1291 C LYS A 85 3.284 -8.813 6.080 1.00 0.00 C ATOM 1292 O LYS A 85 2.087 -8.593 5.910 1.00 0.00 O ATOM 1293 CB LYS A 85 4.905 -6.936 6.104 1.00 0.00 C ATOM 1294 CG LYS A 85 6.149 -6.289 5.473 1.00 0.00 C ATOM 1295 CD LYS A 85 7.361 -7.225 5.620 1.00 0.00 C ATOM 1296 CE LYS A 85 8.675 -6.516 5.307 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.018 -5.513 6.336 1.00 0.00 N ATOM 0 H LYS A 85 2.815 -7.079 4.239 1.00 0.00 H new ATOM 0 HA LYS A 85 5.121 -8.762 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.140 -6.173 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.164 -7.318 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.966 -6.081 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.356 -5.334 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.394 -7.617 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.242 -8.079 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.476 -7.251 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.602 -6.029 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.006 -5.213 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.391 -4.689 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.898 -5.930 7.281 1.00 0.00 H new ATOM 1311 N ASN A 86 3.756 -9.645 7.008 1.00 0.00 N ATOM 1312 CA ASN A 86 2.950 -10.510 7.861 1.00 0.00 C ATOM 1313 C ASN A 86 1.810 -11.219 7.114 1.00 0.00 C ATOM 1314 O ASN A 86 0.800 -11.547 7.726 1.00 0.00 O ATOM 1315 CB ASN A 86 2.560 -9.892 9.229 1.00 0.00 C ATOM 1316 CG ASN A 86 2.202 -8.426 9.293 1.00 0.00 C ATOM 1317 OD1 ASN A 86 1.042 -8.063 9.474 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.215 -7.577 9.255 1.00 0.00 N ATOM 0 H ASN A 86 4.755 -9.737 7.192 1.00 0.00 H new ATOM 0 HA ASN A 86 3.622 -11.318 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.711 -10.456 9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.391 -10.058 9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.048 -6.578 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.163 -7.921 9.102 1.00 0.00 H new ATOM 1325 N ALA A 87 1.981 -11.506 5.814 1.00 0.00 N ATOM 1326 CA ALA A 87 0.965 -12.148 4.992 1.00 0.00 C ATOM 1327 C ALA A 87 0.615 -13.499 5.606 1.00 0.00 C ATOM 1328 O ALA A 87 1.437 -14.427 5.592 1.00 0.00 O ATOM 1329 CB ALA A 87 1.402 -12.277 3.527 1.00 0.00 C ATOM 0 H ALA A 87 2.840 -11.293 5.307 1.00 0.00 H new ATOM 0 HA ALA A 87 0.073 -11.521 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.612 -12.762 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.593 -11.286 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.311 -12.875 3.470 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.568 -13.570 6.203 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.109 -14.748 6.855 1.00 0.00 C ATOM 1337 C LYS A 88 -1.899 -15.533 5.831 1.00 0.00 C ATOM 1338 O LYS A 88 -2.350 -14.983 4.822 1.00 0.00 O ATOM 1339 CB LYS A 88 -1.972 -14.306 8.040 1.00 0.00 C ATOM 1340 CG LYS A 88 -1.113 -14.187 9.308 1.00 0.00 C ATOM 1341 CD LYS A 88 -1.699 -13.276 10.389 1.00 0.00 C ATOM 1342 CE LYS A 88 -3.200 -13.493 10.604 1.00 0.00 C ATOM 1343 NZ LYS A 88 -3.647 -12.947 11.894 1.00 0.00 N ATOM 0 H LYS A 88 -1.201 -12.772 6.246 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.320 -15.391 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.442 -13.348 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.775 -15.025 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.969 -15.182 9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.128 -13.813 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.174 -13.451 11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.523 -12.236 10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.756 -13.019 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.424 -14.559 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.668 -13.112 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.134 -13.417 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.456 -11.925 11.923 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.018 -16.831 6.071 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.593 -17.774 5.136 1.00 0.00 C ATOM 1359 C GLY A 89 -1.810 -17.925 3.826 1.00 0.00 C ATOM 1360 O GLY A 89 -2.248 -18.729 3.006 1.00 0.00 O ATOM 0 H GLY A 89 -1.709 -17.263 6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.662 -18.749 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.611 -17.461 4.903 1.00 0.00 H new ATOM 1364 N LEU A 90 -0.697 -17.194 3.605 1.00 0.00 N ATOM 1365 CA LEU A 90 0.062 -17.201 2.356 1.00 0.00 C ATOM 1366 C LEU A 90 1.564 -17.394 2.564 1.00 0.00 C ATOM 1367 O LEU A 90 2.201 -17.769 1.597 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.148 -15.886 1.574 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.609 -15.583 1.195 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.714 -14.142 0.683 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.102 -16.569 0.133 1.00 0.00 C ATOM 0 H LEU A 90 -0.300 -16.573 4.310 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.319 -18.052 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.236 -15.059 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.448 -15.923 0.662 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.239 -15.695 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.748 -13.926 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.391 -13.454 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.078 -14.020 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.136 -16.340 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.480 -16.485 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.041 -17.585 0.523 1.00 0.00 H new ATOM 1383 N SER A 91 2.148 -17.115 3.741 1.00 0.00 N ATOM 1384 CA SER A 91 3.588 -17.222 4.040 1.00 0.00 C ATOM 1385 C SER A 91 4.525 -17.119 2.815 1.00 0.00 C ATOM 1386 O SER A 91 5.073 -18.117 2.348 1.00 0.00 O ATOM 1387 CB SER A 91 3.862 -18.497 4.835 1.00 0.00 C ATOM 1388 OG SER A 91 3.425 -18.346 6.181 1.00 0.00 O ATOM 0 H SER A 91 1.608 -16.795 4.545 1.00 0.00 H new ATOM 0 HA SER A 91 3.829 -16.344 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.349 -19.339 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.928 -18.723 4.815 1.00 0.00 H new ATOM 0 HG SER A 91 3.605 -19.171 6.678 1.00 0.00 H new ATOM 1394 N ASN A 92 4.724 -15.897 2.306 1.00 0.00 N ATOM 1395 CA ASN A 92 5.574 -15.560 1.151 1.00 0.00 C ATOM 1396 C ASN A 92 5.234 -16.252 -0.176 1.00 0.00 C ATOM 1397 O ASN A 92 5.945 -16.016 -1.156 1.00 0.00 O ATOM 1398 CB ASN A 92 7.072 -15.705 1.483 1.00 0.00 C ATOM 1399 CG ASN A 92 7.660 -14.375 1.912 1.00 0.00 C ATOM 1400 OD1 ASN A 92 7.495 -13.968 3.058 1.00 0.00 O ATOM 1401 ND2 ASN A 92 8.300 -13.645 1.014 1.00 0.00 N ATOM 0 H ASN A 92 4.275 -15.073 2.707 1.00 0.00 H new ATOM 0 HA ASN A 92 5.339 -14.511 0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.203 -16.439 2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.608 -16.080 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.666 -12.728 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.428 -13.999 0.066 1.00 0.00 H new ATOM 1408 N GLU A 93 4.176 -17.063 -0.249 1.00 0.00 N ATOM 1409 CA GLU A 93 3.710 -17.682 -1.490 1.00 0.00 C ATOM 1410 C GLU A 93 3.061 -16.612 -2.376 1.00 0.00 C ATOM 1411 O GLU A 93 3.760 -15.801 -2.989 1.00 0.00 O ATOM 1412 CB GLU A 93 2.768 -18.877 -1.216 1.00 0.00 C ATOM 1413 CG GLU A 93 3.396 -20.011 -0.385 1.00 0.00 C ATOM 1414 CD GLU A 93 2.392 -20.780 0.487 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.163 -20.761 0.233 1.00 0.00 O ATOM 1416 OE2 GLU A 93 2.849 -21.457 1.441 1.00 0.00 O ATOM 0 H GLU A 93 3.612 -17.311 0.564 1.00 0.00 H new ATOM 0 HA GLU A 93 4.564 -18.098 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.881 -18.512 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.434 -19.285 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.887 -20.712 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.171 -19.591 0.256 1.00 0.00 H new ATOM 1423 N SER A 94 1.726 -16.525 -2.393 1.00 0.00 N ATOM 1424 CA SER A 94 0.976 -15.634 -3.277 1.00 0.00 C ATOM 1425 C SER A 94 1.153 -14.142 -2.963 1.00 0.00 C ATOM 1426 O SER A 94 0.546 -13.267 -3.578 1.00 0.00 O ATOM 1427 CB SER A 94 -0.497 -16.023 -3.310 1.00 0.00 C ATOM 1428 OG SER A 94 -0.677 -17.424 -3.169 1.00 0.00 O ATOM 0 H SER A 94 1.129 -17.082 -1.782 1.00 0.00 H new ATOM 0 HA SER A 94 1.403 -15.769 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.027 -15.506 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.939 -15.693 -4.250 1.00 0.00 H new ATOM 0 HG SER A 94 -1.595 -17.662 -3.415 1.00 0.00 H new ATOM 1434 N VAL A 95 2.007 -13.838 -1.998 1.00 0.00 N ATOM 1435 CA VAL A 95 2.533 -12.522 -1.718 1.00 0.00 C ATOM 1436 C VAL A 95 3.269 -12.005 -2.944 1.00 0.00 C ATOM 1437 O VAL A 95 3.050 -10.864 -3.335 1.00 0.00 O ATOM 1438 CB VAL A 95 3.475 -12.627 -0.506 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.841 -11.248 0.040 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.825 -13.448 0.609 1.00 0.00 C ATOM 0 H VAL A 95 2.368 -14.545 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 95 1.731 -11.822 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 95 4.384 -13.122 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.507 -11.360 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.342 -10.670 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.935 -10.728 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.506 -13.512 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.898 -12.967 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.607 -14.451 0.243 1.00 0.00 H new ATOM 1450 N ASN A 96 4.111 -12.837 -3.566 1.00 0.00 N ATOM 1451 CA ASN A 96 4.867 -12.406 -4.734 1.00 0.00 C ATOM 1452 C ASN A 96 3.922 -12.075 -5.879 1.00 0.00 C ATOM 1453 O ASN A 96 4.214 -11.150 -6.637 1.00 0.00 O ATOM 1454 CB ASN A 96 5.867 -13.475 -5.182 1.00 0.00 C ATOM 1455 CG ASN A 96 7.032 -13.625 -4.207 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.585 -12.656 -3.683 1.00 0.00 O ATOM 1457 ND2 ASN A 96 7.389 -14.845 -3.858 1.00 0.00 N ATOM 0 H ASN A 96 4.281 -13.801 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 96 5.427 -11.514 -4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.353 -14.431 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.253 -13.218 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.119 -14.982 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.936 -15.652 -4.287 1.00 0.00 H new ATOM 1464 N LEU A 97 2.782 -12.779 -5.981 1.00 0.00 N ATOM 1465 CA LEU A 97 1.791 -12.468 -6.992 1.00 0.00 C ATOM 1466 C LEU A 97 1.254 -11.079 -6.717 1.00 0.00 C ATOM 1467 O LEU A 97 1.414 -10.188 -7.543 1.00 0.00 O ATOM 1468 CB LEU A 97 0.706 -13.539 -6.957 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.438 -13.351 -7.962 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -1.172 -14.689 -7.950 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.443 -12.260 -7.578 1.00 0.00 C ATOM 0 H LEU A 97 2.536 -13.561 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 97 2.216 -12.468 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.170 -14.508 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.283 -13.571 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.026 -13.048 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.012 -14.649 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.488 -15.482 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.541 -14.893 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.218 -12.194 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.899 -12.507 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.928 -11.302 -7.499 1.00 0.00 H new ATOM 1483 N LEU A 98 0.642 -10.872 -5.548 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.022 -9.615 -5.278 1.00 0.00 C ATOM 1485 C LEU A 98 0.963 -8.454 -5.382 1.00 0.00 C ATOM 1486 O LEU A 98 0.613 -7.406 -5.909 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.662 -9.680 -3.890 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.420 -8.387 -3.550 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.614 -8.102 -4.466 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -1.904 -8.462 -2.109 1.00 0.00 C ATOM 0 H LEU A 98 0.598 -11.553 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.802 -9.444 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.348 -10.526 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.110 -9.856 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.717 -7.567 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.094 -7.173 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.269 -8.009 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.330 -8.921 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.443 -7.549 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.568 -9.319 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.048 -8.572 -1.443 1.00 0.00 H new ATOM 1502 N LYS A 99 2.207 -8.618 -4.927 1.00 0.00 N ATOM 1503 CA LYS A 99 3.191 -7.548 -5.019 1.00 0.00 C ATOM 1504 C LYS A 99 3.460 -7.180 -6.474 1.00 0.00 C ATOM 1505 O LYS A 99 3.509 -5.991 -6.795 1.00 0.00 O ATOM 1506 CB LYS A 99 4.471 -7.935 -4.257 1.00 0.00 C ATOM 1507 CG LYS A 99 5.036 -6.718 -3.514 1.00 0.00 C ATOM 1508 CD LYS A 99 5.913 -7.106 -2.314 1.00 0.00 C ATOM 1509 CE LYS A 99 7.395 -6.884 -2.597 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.203 -7.016 -1.369 1.00 0.00 N ATOM 0 H LYS A 99 2.551 -9.476 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 99 2.791 -6.653 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.253 -8.734 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.215 -8.322 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.623 -6.116 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.212 -6.094 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.618 -6.519 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.744 -8.154 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.737 -7.605 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.541 -5.892 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.213 -6.978 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.974 -6.238 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.992 -7.925 -0.910 1.00 0.00 H new ATOM 1524 N SER A 100 3.604 -8.174 -7.348 1.00 0.00 N ATOM 1525 CA SER A 100 3.765 -7.958 -8.777 1.00 0.00 C ATOM 1526 C SER A 100 2.547 -7.245 -9.369 1.00 0.00 C ATOM 1527 O SER A 100 2.694 -6.370 -10.225 1.00 0.00 O ATOM 1528 CB SER A 100 3.974 -9.314 -9.464 1.00 0.00 C ATOM 1529 OG SER A 100 5.141 -9.945 -8.970 1.00 0.00 O ATOM 0 H SER A 100 3.612 -9.158 -7.078 1.00 0.00 H new ATOM 0 HA SER A 100 4.633 -7.320 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.108 -9.953 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.058 -9.173 -10.542 1.00 0.00 H new ATOM 0 HG SER A 100 4.932 -10.410 -8.133 1.00 0.00 H new ATOM 1535 N HIS A 101 1.347 -7.614 -8.920 1.00 0.00 N ATOM 1536 CA HIS A 101 0.092 -7.144 -9.480 1.00 0.00 C ATOM 1537 C HIS A 101 -0.145 -5.695 -9.047 1.00 0.00 C ATOM 1538 O HIS A 101 -0.442 -4.850 -9.888 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.032 -8.105 -9.055 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.067 -9.402 -9.843 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -2.199 -10.069 -10.259 1.00 0.00 N ATOM 1542 CD2 HIS A 101 0.005 -10.172 -10.209 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -1.813 -11.215 -10.846 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -0.475 -11.320 -10.841 1.00 0.00 N ATOM 0 H HIS A 101 1.224 -8.261 -8.141 1.00 0.00 H new ATOM 0 HA HIS A 101 0.117 -7.142 -10.570 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.916 -8.338 -7.997 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.991 -7.598 -9.166 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.044 -9.932 -10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.486 -11.949 -11.264 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.080 -12.086 -11.223 1.00 0.00 H new ATOM 1552 N LEU A 102 0.072 -5.367 -7.773 1.00 0.00 N ATOM 1553 CA LEU A 102 -0.028 -4.002 -7.262 1.00 0.00 C ATOM 1554 C LEU A 102 0.976 -3.100 -7.959 1.00 0.00 C ATOM 1555 O LEU A 102 0.640 -1.955 -8.257 1.00 0.00 O ATOM 1556 CB LEU A 102 0.107 -3.982 -5.737 1.00 0.00 C ATOM 1557 CG LEU A 102 -1.033 -4.731 -5.029 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.726 -4.822 -3.532 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.403 -4.061 -5.192 1.00 0.00 C ATOM 0 H LEU A 102 0.325 -6.051 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.018 -3.606 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.060 -4.430 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.126 -2.948 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.089 -5.714 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.533 -5.353 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.210 -5.360 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.637 -3.818 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.158 -4.645 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.368 -3.054 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.658 -4.007 -6.250 1.00 0.00 H new ATOM 1571 N GLU A 103 2.177 -3.601 -8.253 1.00 0.00 N ATOM 1572 CA GLU A 103 3.140 -2.824 -9.027 1.00 0.00 C ATOM 1573 C GLU A 103 2.650 -2.558 -10.458 1.00 0.00 C ATOM 1574 O GLU A 103 3.004 -1.518 -11.015 1.00 0.00 O ATOM 1575 CB GLU A 103 4.525 -3.489 -9.039 1.00 0.00 C ATOM 1576 CG GLU A 103 5.342 -3.194 -7.773 1.00 0.00 C ATOM 1577 CD GLU A 103 6.840 -3.265 -8.066 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.412 -4.375 -8.131 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.462 -2.191 -8.252 1.00 0.00 O ATOM 0 H GLU A 103 2.500 -4.526 -7.971 1.00 0.00 H new ATOM 0 HA GLU A 103 3.234 -1.859 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.404 -4.567 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.080 -3.145 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.088 -2.205 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.085 -3.911 -6.993 1.00 0.00 H new ATOM 1586 N GLU A 104 1.841 -3.432 -11.067 1.00 0.00 N ATOM 1587 CA GLU A 104 1.284 -3.169 -12.397 1.00 0.00 C ATOM 1588 C GLU A 104 0.097 -2.218 -12.370 1.00 0.00 C ATOM 1589 O GLU A 104 -0.003 -1.271 -13.144 1.00 0.00 O ATOM 1590 CB GLU A 104 1.019 -4.436 -13.203 1.00 0.00 C ATOM 1591 CG GLU A 104 -0.336 -5.097 -13.070 1.00 0.00 C ATOM 1592 CD GLU A 104 -0.622 -6.112 -14.174 1.00 0.00 C ATOM 1593 OE1 GLU A 104 -0.097 -7.243 -14.091 1.00 0.00 O ATOM 1594 OE2 GLU A 104 -1.410 -5.784 -15.095 1.00 0.00 O ATOM 0 H GLU A 104 1.559 -4.324 -10.661 1.00 0.00 H new ATOM 0 HA GLU A 104 2.069 -2.642 -12.939 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.172 -4.199 -14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.776 -5.170 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.396 -5.596 -12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.110 -4.330 -13.082 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.812 -2.485 -11.453 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.965 -1.649 -11.151 1.00 0.00 C ATOM 1603 C LEU A 105 -1.503 -0.223 -10.918 1.00 0.00 C ATOM 1604 O LEU A 105 -2.071 0.713 -11.471 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.688 -2.199 -9.922 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.787 -1.261 -9.399 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.932 -1.054 -10.394 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.336 -1.852 -8.114 1.00 0.00 C ATOM 0 H LEU A 105 -0.769 -3.323 -10.873 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.662 -1.656 -11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.130 -3.164 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.961 -2.375 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.340 -0.280 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.673 -0.382 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.541 -0.619 -11.314 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.399 -2.014 -10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.119 -1.204 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.750 -2.840 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.534 -1.937 -7.381 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.441 -0.057 -10.136 1.00 0.00 N ATOM 1621 CA ALA A 106 0.170 1.224 -9.906 1.00 0.00 C ATOM 1622 C ALA A 106 0.497 1.913 -11.239 1.00 0.00 C ATOM 1623 O ALA A 106 0.142 3.075 -11.403 1.00 0.00 O ATOM 1624 CB ALA A 106 1.379 1.012 -8.997 1.00 0.00 C ATOM 0 H ALA A 106 0.016 -0.825 -9.644 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.511 1.907 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.863 1.970 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.052 0.575 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.086 0.339 -9.483 1.00 0.00 H new ATOM 1630 N LYS A 107 1.112 1.235 -12.220 1.00 0.00 N ATOM 1631 CA LYS A 107 1.406 1.802 -13.532 1.00 0.00 C ATOM 1632 C LYS A 107 0.149 2.284 -14.257 1.00 0.00 C ATOM 1633 O LYS A 107 0.221 3.268 -14.993 1.00 0.00 O ATOM 1634 CB LYS A 107 2.168 0.781 -14.406 1.00 0.00 C ATOM 1635 CG LYS A 107 3.679 0.995 -14.348 1.00 0.00 C ATOM 1636 CD LYS A 107 4.385 0.551 -13.068 1.00 0.00 C ATOM 1637 CE LYS A 107 5.054 -0.819 -13.171 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.858 -1.067 -11.958 1.00 0.00 N ATOM 0 H LYS A 107 1.420 0.268 -12.117 1.00 0.00 H new ATOM 0 HA LYS A 107 2.037 2.675 -13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.932 -0.230 -14.073 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.829 0.863 -15.439 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.130 0.465 -15.187 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.879 2.056 -14.496 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.139 1.293 -12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.660 0.530 -12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.299 -1.597 -13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.689 -0.860 -14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.518 -1.852 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.396 -0.210 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.228 -1.314 -11.168 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.999 1.630 -14.071 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.259 2.010 -14.708 1.00 0.00 C ATOM 1654 C LYS A 108 -2.815 3.228 -13.991 1.00 0.00 C ATOM 1655 O LYS A 108 -3.296 4.165 -14.622 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.273 0.857 -14.625 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.749 -0.454 -15.222 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.705 -1.628 -14.992 1.00 0.00 C ATOM 1659 CE LYS A 108 -2.939 -2.949 -14.864 1.00 0.00 C ATOM 1660 NZ LYS A 108 -2.165 -3.306 -16.073 1.00 0.00 N ATOM 0 H LYS A 108 -1.080 0.812 -13.467 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.080 2.237 -15.759 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.540 0.692 -13.581 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.186 1.146 -15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.590 -0.324 -16.292 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.780 -0.688 -14.782 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.288 -1.454 -14.088 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.411 -1.693 -15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.260 -2.884 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.646 -3.749 -14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.742 -4.248 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.797 -3.316 -16.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.411 -2.605 -16.222 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.739 3.219 -12.662 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.278 4.249 -11.799 1.00 0.00 C ATOM 1676 C GLN A 109 -2.360 5.484 -11.743 1.00 0.00 C ATOM 1677 O GLN A 109 -2.720 6.504 -11.152 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.513 3.640 -10.405 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.600 2.547 -10.342 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.002 3.085 -10.648 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.726 2.579 -11.503 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.435 4.147 -9.989 1.00 0.00 N ATOM 0 H GLN A 109 -2.284 2.466 -12.146 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.227 4.604 -12.201 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.574 3.217 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -3.785 4.441 -9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.356 1.757 -11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.598 2.095 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -5.847 4.580 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.357 4.533 -10.194 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.157 5.391 -12.316 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.127 6.410 -12.311 1.00 0.00 C ATOM 1693 C CYS A 110 -0.573 7.594 -13.156 1.00 0.00 C ATOM 1694 O CYS A 110 -0.395 7.641 -14.377 1.00 0.00 O ATOM 1695 CB CYS A 110 1.188 5.810 -12.793 1.00 0.00 C ATOM 1696 SG CYS A 110 2.510 7.057 -12.775 1.00 0.00 S ATOM 0 H CYS A 110 -0.869 4.553 -12.821 1.00 0.00 H new ATOM 0 HA CYS A 110 0.036 6.779 -11.298 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.465 4.970 -12.156 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.066 5.417 -13.802 1.00 0.00 H new ATOM 0 HG CYS A 110 3.619 6.519 -13.188 1.00 0.00 H new ATOM 1702 N GLY A 111 -1.142 8.559 -12.459 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.646 9.816 -12.961 1.00 0.00 C ATOM 1704 C GLY A 111 -2.233 10.567 -11.777 1.00 0.00 C ATOM 1705 O GLY A 111 -2.025 11.771 -11.644 1.00 0.00 O ATOM 0 H GLY A 111 -1.272 8.475 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.847 10.394 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.405 9.649 -13.726 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.857 9.845 -10.844 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.397 10.386 -9.611 1.00 0.00 C ATOM 1711 C GLU A 112 -3.229 9.358 -8.487 1.00 0.00 C ATOM 1712 O GLU A 112 -2.641 8.289 -8.664 1.00 0.00 O ATOM 1713 CB GLU A 112 -4.858 10.808 -9.846 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.793 9.602 -10.040 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.135 9.997 -10.657 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.143 10.613 -11.745 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.205 9.676 -10.096 1.00 0.00 O ATOM 0 H GLU A 112 -3.001 8.839 -10.935 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.855 11.278 -9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.203 11.399 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.911 11.450 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.305 8.867 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.966 9.122 -9.077 1.00 0.00 H new ATOM 1724 N VAL A 113 -3.723 9.707 -7.309 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.631 8.945 -6.076 1.00 0.00 C ATOM 1726 C VAL A 113 -4.314 7.574 -6.201 1.00 0.00 C ATOM 1727 O VAL A 113 -5.450 7.463 -6.670 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.191 9.818 -4.938 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.172 10.925 -4.638 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.548 10.473 -5.268 1.00 0.00 C ATOM 0 H VAL A 113 -4.229 10.583 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.592 8.707 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.358 9.164 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.548 11.557 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.226 10.476 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.017 11.529 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.879 11.072 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.440 11.113 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.286 9.698 -5.474 1.00 0.00 H new ATOM 1740 N MET A 114 -3.602 6.514 -5.808 1.00 0.00 N ATOM 1741 CA MET A 114 -3.890 5.131 -6.198 1.00 0.00 C ATOM 1742 C MET A 114 -3.977 4.188 -5.002 1.00 0.00 C ATOM 1743 O MET A 114 -4.455 3.075 -5.170 1.00 0.00 O ATOM 1744 CB MET A 114 -2.805 4.649 -7.170 1.00 0.00 C ATOM 1745 CG MET A 114 -1.408 4.624 -6.551 1.00 0.00 C ATOM 1746 SD MET A 114 -0.091 4.026 -7.635 1.00 0.00 S ATOM 1747 CE MET A 114 -0.057 5.342 -8.879 1.00 0.00 C ATOM 0 H MET A 114 -2.790 6.596 -5.196 1.00 0.00 H new ATOM 0 HA MET A 114 -4.868 5.118 -6.679 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.058 3.648 -7.519 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.796 5.299 -8.045 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.156 5.633 -6.223 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.435 3.997 -5.660 1.00 0.00 H new ATOM 0 HE1 MET A 114 -0.409 4.950 -9.833 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.704 6.159 -8.562 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.963 5.710 -8.992 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.515 4.593 -3.809 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.382 3.695 -2.652 1.00 0.00 C ATOM 1759 C ILE A 115 -4.735 3.062 -2.309 1.00 0.00 C ATOM 1760 O ILE A 115 -4.778 1.871 -2.019 1.00 0.00 O ATOM 1761 CB ILE A 115 -2.753 4.443 -1.449 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.300 4.851 -1.781 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -2.745 3.594 -0.163 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -0.753 5.951 -0.861 1.00 0.00 C ATOM 0 H ILE A 115 -3.223 5.552 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.703 2.881 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.370 5.323 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.658 3.973 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.254 5.195 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.294 4.166 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.768 3.330 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.168 2.685 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.271 6.190 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.373 6.843 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.768 5.602 0.172 1.00 0.00 H new ATOM 1776 N PHE A 116 -5.823 3.829 -2.426 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.177 3.337 -2.226 1.00 0.00 C ATOM 1778 C PHE A 116 -7.488 2.163 -3.153 1.00 0.00 C ATOM 1779 O PHE A 116 -8.030 1.162 -2.693 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.178 4.478 -2.431 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.419 5.313 -1.190 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.287 4.813 -0.203 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -7.816 6.576 -1.018 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.576 5.581 0.932 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.115 7.349 0.120 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.015 6.860 1.083 1.00 0.00 C ATOM 0 H PHE A 116 -5.781 4.820 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.263 2.970 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.816 5.127 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.127 4.060 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.731 3.836 -0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.125 6.950 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.233 5.188 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.654 8.316 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.275 7.467 1.938 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.113 2.258 -4.433 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.296 1.187 -5.405 1.00 0.00 C ATOM 1798 C GLU A 117 -6.514 -0.030 -4.924 1.00 0.00 C ATOM 1799 O GLU A 117 -7.066 -1.122 -4.860 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.799 1.630 -6.797 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.728 1.246 -7.957 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.266 -0.195 -7.955 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -7.506 -1.154 -8.192 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -9.501 -0.374 -7.818 1.00 0.00 O ATOM 0 H GLU A 117 -6.670 3.090 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.354 0.941 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.670 2.712 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.817 1.192 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.578 1.928 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.192 1.409 -8.892 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.249 0.171 -4.526 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.368 -0.904 -4.080 1.00 0.00 C ATOM 1813 C LEU A 118 -5.027 -1.647 -2.917 1.00 0.00 C ATOM 1814 O LEU A 118 -5.135 -2.867 -2.954 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.962 -0.407 -3.672 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.222 0.553 -4.627 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.743 0.641 -4.240 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.318 0.227 -6.114 1.00 0.00 C ATOM 0 H LEU A 118 -4.811 1.092 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.221 -1.577 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.052 0.089 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.330 -1.282 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.739 1.504 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.229 1.321 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.656 1.013 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.290 -0.348 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.760 0.969 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.899 -0.762 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.363 0.241 -6.423 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.481 -0.920 -1.895 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.145 -1.470 -0.718 1.00 0.00 C ATOM 1832 C ALA A 119 -7.427 -2.235 -1.063 1.00 0.00 C ATOM 1833 O ALA A 119 -7.651 -3.333 -0.545 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.461 -0.332 0.250 1.00 0.00 C ATOM 0 H ALA A 119 -5.393 0.096 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.466 -2.189 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.958 -0.733 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.535 0.161 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.116 0.390 -0.238 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.280 -1.664 -1.915 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.454 -2.335 -2.475 1.00 0.00 C ATOM 1842 C HIS A 120 -9.028 -3.660 -3.110 1.00 0.00 C ATOM 1843 O HIS A 120 -9.547 -4.723 -2.772 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.157 -1.423 -3.499 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.624 -1.223 -3.232 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.664 -1.698 -3.996 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -12.159 -0.464 -2.227 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.802 -1.232 -3.459 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -13.550 -0.439 -2.400 1.00 0.00 N ATOM 0 H HIS A 120 -8.172 -0.704 -2.241 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.168 -2.546 -1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.663 -0.451 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.034 -1.849 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.607 0.029 -1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.791 -1.463 -3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.231 0.074 -1.840 1.00 0.00 H new ATOM 1857 N HIS A 121 -8.032 -3.597 -3.989 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.500 -4.720 -4.727 1.00 0.00 C ATOM 1859 C HIS A 121 -7.000 -5.816 -3.782 1.00 0.00 C ATOM 1860 O HIS A 121 -7.307 -6.982 -4.006 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.409 -4.212 -5.675 1.00 0.00 C ATOM 1862 CG HIS A 121 -6.060 -5.212 -6.725 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.469 -5.150 -8.033 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -5.263 -6.312 -6.571 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.919 -6.184 -8.672 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -5.192 -6.928 -7.822 1.00 0.00 N ATOM 0 H HIS A 121 -7.559 -2.721 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.287 -5.181 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.745 -3.291 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.516 -3.966 -5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.783 -6.640 -5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -6.041 -6.393 -9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.683 -7.783 -8.048 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.282 -5.482 -2.702 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.875 -6.473 -1.711 1.00 0.00 C ATOM 1876 C VAL A 122 -7.103 -7.188 -1.136 1.00 0.00 C ATOM 1877 O VAL A 122 -7.067 -8.409 -1.008 1.00 0.00 O ATOM 1878 CB VAL A 122 -5.008 -5.855 -0.592 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.473 -6.943 0.348 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.797 -5.082 -1.128 1.00 0.00 C ATOM 0 H VAL A 122 -5.973 -4.532 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.251 -7.210 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.667 -5.164 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.865 -6.484 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.309 -7.473 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.864 -7.647 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.228 -4.672 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.162 -5.755 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.139 -4.269 -1.768 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.176 -6.471 -0.771 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.368 -7.104 -0.191 1.00 0.00 C ATOM 1892 C GLN A 123 -9.949 -8.103 -1.196 1.00 0.00 C ATOM 1893 O GLN A 123 -10.307 -9.225 -0.823 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.404 -6.038 0.241 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.910 -5.106 1.366 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.770 -3.851 1.540 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.768 -3.843 2.260 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -10.364 -2.747 0.931 1.00 0.00 N ATOM 0 H GLN A 123 -8.242 -5.458 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 123 -9.091 -7.650 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.672 -5.434 -0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.312 -6.542 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.894 -5.659 2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.883 -4.807 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.535 -2.768 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.880 -1.876 1.056 1.00 0.00 H new ATOM 1907 N SER A 124 -9.974 -7.719 -2.473 1.00 0.00 N ATOM 1908 CA SER A 124 -10.489 -8.549 -3.550 1.00 0.00 C ATOM 1909 C SER A 124 -9.569 -9.738 -3.865 1.00 0.00 C ATOM 1910 O SER A 124 -10.073 -10.802 -4.229 1.00 0.00 O ATOM 1911 CB SER A 124 -10.745 -7.686 -4.790 1.00 0.00 C ATOM 1912 OG SER A 124 -11.735 -6.710 -4.511 1.00 0.00 O ATOM 0 H SER A 124 -9.632 -6.811 -2.787 1.00 0.00 H new ATOM 0 HA SER A 124 -11.434 -8.982 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.821 -7.199 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.068 -8.315 -5.620 1.00 0.00 H new ATOM 0 HG SER A 124 -11.889 -6.163 -5.309 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.246 -9.618 -3.721 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.305 -10.710 -3.895 1.00 0.00 C ATOM 1920 C PHE A 125 -7.412 -11.675 -2.723 1.00 0.00 C ATOM 1921 O PHE A 125 -7.336 -12.892 -2.887 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.901 -10.116 -3.908 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.818 -11.158 -3.791 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.465 -11.956 -4.889 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.212 -11.361 -2.542 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.471 -12.936 -4.751 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.204 -12.328 -2.400 1.00 0.00 C ATOM 1928 CZ PHE A 125 -2.832 -13.107 -3.511 1.00 0.00 C ATOM 0 H PHE A 125 -7.797 -8.736 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.518 -11.244 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.759 -9.555 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.805 -9.407 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.958 -11.816 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.521 -10.774 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.198 -13.555 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.718 -12.473 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.048 -13.843 -3.410 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.557 -11.136 -1.511 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.594 -11.959 -0.325 1.00 0.00 C ATOM 1940 C LEU A 126 -8.817 -12.869 -0.393 1.00 0.00 C ATOM 1941 O LEU A 126 -8.680 -14.073 -0.206 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.619 -11.116 0.952 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.278 -10.531 1.412 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.586 -9.709 2.659 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.246 -11.604 1.783 1.00 0.00 C ATOM 0 H LEU A 126 -7.650 -10.135 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.686 -12.560 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.318 -10.293 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.018 -11.731 1.759 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.845 -9.950 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.666 -9.263 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.295 -8.920 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.017 -10.355 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.320 -11.124 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.634 -12.216 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.050 -12.235 0.916 1.00 0.00 H new ATOM 1957 N SER A 127 -9.996 -12.308 -0.690 1.00 0.00 N ATOM 1958 CA SER A 127 -11.225 -13.081 -0.850 1.00 0.00 C ATOM 1959 C SER A 127 -11.073 -14.176 -1.920 1.00 0.00 C ATOM 1960 O SER A 127 -11.666 -15.239 -1.778 1.00 0.00 O ATOM 1961 CB SER A 127 -12.410 -12.150 -1.159 1.00 0.00 C ATOM 1962 OG SER A 127 -13.531 -12.398 -0.326 1.00 0.00 O ATOM 0 H SER A 127 -10.120 -11.305 -0.825 1.00 0.00 H new ATOM 0 HA SER A 127 -11.429 -13.588 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.094 -11.114 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.702 -12.274 -2.202 1.00 0.00 H new ATOM 0 HG SER A 127 -14.255 -11.781 -0.560 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.264 -13.959 -2.961 1.00 0.00 N ATOM 1969 CA GLU A 128 -9.894 -14.939 -3.961 1.00 0.00 C ATOM 1970 C GLU A 128 -9.193 -16.149 -3.329 1.00 0.00 C ATOM 1971 O GLU A 128 -9.619 -17.286 -3.546 1.00 0.00 O ATOM 1972 CB GLU A 128 -8.988 -14.217 -4.975 1.00 0.00 C ATOM 1973 CG GLU A 128 -9.366 -14.458 -6.430 1.00 0.00 C ATOM 1974 CD GLU A 128 -8.434 -15.470 -7.096 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -8.443 -16.655 -6.693 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -7.660 -15.067 -7.998 1.00 0.00 O ATOM 0 H GLU A 128 -9.834 -13.049 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.778 -15.339 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.019 -13.146 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.959 -14.540 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.393 -14.819 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.330 -13.515 -6.976 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.110 -15.928 -2.574 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.343 -17.008 -1.945 1.00 0.00 C ATOM 1985 C HIS A 129 -8.048 -17.592 -0.710 1.00 0.00 C ATOM 1986 O HIS A 129 -7.718 -18.712 -0.306 1.00 0.00 O ATOM 1987 CB HIS A 129 -5.906 -16.547 -1.633 1.00 0.00 C ATOM 1988 CG HIS A 129 -4.928 -16.928 -2.725 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.689 -16.247 -3.891 1.00 0.00 N flip ATOM 1990 CD2 HIS A 129 -4.187 -18.091 -2.767 1.00 0.00 C flip ATOM 1991 CE1 HIS A 129 -3.796 -17.018 -4.656 1.00 0.00 C flip ATOM 1992 NE2 HIS A 129 -3.555 -18.136 -3.948 1.00 0.00 N flip ATOM 0 H HIS A 129 -7.742 -14.996 -2.383 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.282 -17.825 -2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -5.895 -15.465 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.583 -16.987 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -4.127 -18.834 -1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.385 -16.763 -5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -2.972 -18.910 -4.266 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.009 -16.874 -0.124 1.00 0.00 N ATOM 2001 CA ASN A 130 -9.944 -17.400 0.876 1.00 0.00 C ATOM 2002 C ASN A 130 -10.905 -18.352 0.148 1.00 0.00 C ATOM 2003 O ASN A 130 -11.303 -18.079 -0.985 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.681 -16.230 1.570 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.664 -16.658 2.666 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.589 -17.418 2.406 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.524 -16.144 3.884 1.00 0.00 N ATOM 0 H ASN A 130 -9.163 -15.888 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.428 -17.951 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.941 -15.558 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.223 -15.660 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -12.192 -16.381 4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -10.749 -15.513 4.085 1.00 0.00 H new