USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 ASN : amide:sc= 0.918 K(o=0.88,f=-5.9!) USER MOD Set 1.3: A 99 ASN : amide:sc= -0.0387 K(o=0.88,f=0.35) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 165:sc= 0.346 (180deg=0.277) USER MOD Set 2.2: A 90 GLN : amide:sc= -0.142 K(o=0.2,f=-1.7) USER MOD Single : A 10 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00975 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0728 K(o=-0.073,f=-1.1) USER MOD Single : A 30 MET CE :methyl 161:sc= -0.0508 (180deg=-0.392) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 59 GLN : amide:sc= 1.16 K(o=1.2,f=-0.36) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 1.83 (180deg=1.61) USER MOD Single : A 63 MET CE :methyl 152:sc= -4.16! (180deg=-7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0.0414 USER MOD Single : A 80 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.097) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -0.0714 K(o=-0.071,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ -143:sc= 0.326 (180deg=0.0129) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0966 X(o=-0.097,f=-0.09) USER MOD Single : A 97 SER OG : rot 180:sc= -0.209 USER MOD Single : A 103 CYS SG : rot 110:sc= 1.08 USER MOD Single : A 106 TYR OH : rot 80:sc= 0.00522 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.984 -13.489 -3.135 1.00 0.00 N ATOM 86 CA PHE A 9 8.605 -13.070 -3.338 1.00 0.00 C ATOM 87 C PHE A 9 7.681 -13.834 -2.379 1.00 0.00 C ATOM 88 O PHE A 9 8.013 -14.930 -1.908 1.00 0.00 O ATOM 89 CB PHE A 9 8.220 -13.301 -4.809 1.00 0.00 C ATOM 90 CG PHE A 9 6.751 -13.077 -5.111 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.830 -14.120 -4.900 1.00 0.00 C ATOM 92 CD2 PHE A 9 6.279 -11.814 -5.517 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.474 -13.911 -5.147 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.899 -11.598 -5.695 1.00 0.00 C ATOM 95 CZ PHE A 9 3.998 -12.655 -5.497 1.00 0.00 C ATOM 0 HA PHE A 9 8.497 -12.008 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.814 -12.636 -5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.485 -14.322 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.173 -15.081 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.977 -11.009 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.784 -14.738 -5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.536 -10.623 -5.983 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.937 -12.492 -5.617 1.00 0.00 H new ATOM 105 N THR A 10 6.513 -13.260 -2.102 1.00 0.00 N ATOM 106 CA THR A 10 5.504 -13.786 -1.199 1.00 0.00 C ATOM 107 C THR A 10 4.690 -14.916 -1.863 1.00 0.00 C ATOM 108 O THR A 10 5.294 -15.916 -2.245 1.00 0.00 O ATOM 109 CB THR A 10 4.705 -12.582 -0.653 1.00 0.00 C ATOM 110 OG1 THR A 10 5.561 -11.492 -0.357 1.00 0.00 O ATOM 111 CG2 THR A 10 3.929 -12.904 0.623 1.00 0.00 C ATOM 0 H THR A 10 6.235 -12.374 -2.523 1.00 0.00 H new ATOM 0 HA THR A 10 5.937 -14.292 -0.336 1.00 0.00 H new ATOM 0 HB THR A 10 4.001 -12.328 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.023 -10.695 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.390 -12.017 0.954 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.219 -13.707 0.424 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.624 -13.218 1.402 1.00 0.00 H new ATOM 119 N ARG A 11 3.356 -14.789 -1.972 1.00 0.00 N ATOM 120 CA ARG A 11 2.367 -15.603 -2.693 1.00 0.00 C ATOM 121 C ARG A 11 0.991 -15.326 -2.128 1.00 0.00 C ATOM 122 O ARG A 11 0.238 -14.601 -2.765 1.00 0.00 O ATOM 123 CB ARG A 11 2.663 -17.111 -2.748 1.00 0.00 C ATOM 124 CG ARG A 11 3.391 -17.463 -4.055 1.00 0.00 C ATOM 125 CD ARG A 11 4.329 -18.636 -3.772 1.00 0.00 C ATOM 126 NE ARG A 11 5.022 -19.112 -4.973 1.00 0.00 N ATOM 127 CZ ARG A 11 6.176 -19.789 -5.007 1.00 0.00 C ATOM 128 NH1 ARG A 11 6.916 -19.957 -3.911 1.00 0.00 N ATOM 129 NH2 ARG A 11 6.588 -20.299 -6.160 1.00 0.00 N ATOM 0 H ARG A 11 2.890 -14.016 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 11 2.423 -15.296 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.275 -17.400 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.732 -17.674 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.673 -17.728 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.954 -16.604 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.066 -18.334 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.757 -19.457 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 11 4.582 -18.907 -5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.606 -19.566 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.792 -20.477 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.028 -20.172 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.465 -20.818 -6.204 1.00 0.00 H new ATOM 143 N ASP A 12 0.691 -15.836 -0.935 1.00 0.00 N ATOM 144 CA ASP A 12 -0.647 -15.754 -0.331 1.00 0.00 C ATOM 145 C ASP A 12 -0.606 -14.977 0.990 1.00 0.00 C ATOM 146 O ASP A 12 -1.403 -15.175 1.899 1.00 0.00 O ATOM 147 CB ASP A 12 -1.225 -17.162 -0.179 1.00 0.00 C ATOM 148 CG ASP A 12 -2.687 -17.145 0.280 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.526 -16.595 -0.468 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.975 -17.672 1.381 1.00 0.00 O ATOM 0 H ASP A 12 1.372 -16.323 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.313 -15.194 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.152 -17.687 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.627 -17.722 0.540 1.00 0.00 H new ATOM 155 N ALA A 13 0.412 -14.130 1.156 1.00 0.00 N ATOM 156 CA ALA A 13 0.674 -13.245 2.287 1.00 0.00 C ATOM 157 C ALA A 13 1.089 -13.976 3.560 1.00 0.00 C ATOM 158 O ALA A 13 1.833 -13.418 4.357 1.00 0.00 O ATOM 159 CB ALA A 13 -0.508 -12.313 2.529 1.00 0.00 C ATOM 0 H ALA A 13 1.134 -14.040 0.441 1.00 0.00 H new ATOM 0 HA ALA A 13 1.540 -12.644 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.291 -11.663 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.681 -11.706 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.399 -12.903 2.744 1.00 0.00 H new ATOM 165 N SER A 14 0.731 -15.246 3.716 1.00 0.00 N ATOM 166 CA SER A 14 1.154 -16.094 4.818 1.00 0.00 C ATOM 167 C SER A 14 2.673 -16.362 4.819 1.00 0.00 C ATOM 168 O SER A 14 3.224 -16.829 5.816 1.00 0.00 O ATOM 169 CB SER A 14 0.355 -17.395 4.726 1.00 0.00 C ATOM 170 OG SER A 14 -1.028 -17.159 4.929 1.00 0.00 O ATOM 0 H SER A 14 0.119 -15.726 3.056 1.00 0.00 H new ATOM 0 HA SER A 14 0.956 -15.585 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.510 -17.852 3.749 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.720 -18.103 5.470 1.00 0.00 H new ATOM 0 HG SER A 14 -1.517 -18.006 4.864 1.00 0.00 H new ATOM 176 N GLN A 15 3.369 -16.047 3.722 1.00 0.00 N ATOM 177 CA GLN A 15 4.827 -15.970 3.662 1.00 0.00 C ATOM 178 C GLN A 15 5.387 -14.812 4.497 1.00 0.00 C ATOM 179 O GLN A 15 6.569 -14.838 4.828 1.00 0.00 O ATOM 180 CB GLN A 15 5.252 -15.811 2.191 1.00 0.00 C ATOM 181 CG GLN A 15 5.471 -17.134 1.459 1.00 0.00 C ATOM 182 CD GLN A 15 6.764 -17.812 1.912 1.00 0.00 C ATOM 183 OE1 GLN A 15 7.869 -17.334 1.662 1.00 0.00 O ATOM 184 NE2 GLN A 15 6.655 -18.923 2.609 1.00 0.00 N ATOM 0 H GLN A 15 2.921 -15.834 2.831 1.00 0.00 H new ATOM 0 HA GLN A 15 5.234 -16.889 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.489 -15.238 1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.173 -15.229 2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.626 -17.798 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.509 -16.956 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.733 -19.310 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.492 -19.397 2.948 1.00 0.00 H new ATOM 193 N LEU A 16 4.608 -13.771 4.802 1.00 0.00 N ATOM 194 CA LEU A 16 5.097 -12.617 5.552 1.00 0.00 C ATOM 195 C LEU A 16 5.119 -12.961 7.034 1.00 0.00 C ATOM 196 O LEU A 16 4.279 -13.721 7.519 1.00 0.00 O ATOM 197 CB LEU A 16 4.218 -11.379 5.307 1.00 0.00 C ATOM 198 CG LEU A 16 4.073 -10.964 3.833 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.366 -9.612 3.712 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.427 -10.910 3.116 1.00 0.00 C ATOM 0 H LEU A 16 3.625 -13.707 4.536 1.00 0.00 H new ATOM 0 HA LEU A 16 6.105 -12.378 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.225 -11.571 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.634 -10.541 5.865 1.00 0.00 H new ATOM 0 HG LEU A 16 3.466 -11.728 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.276 -9.341 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.373 -9.680 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.945 -8.851 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.277 -10.613 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.073 -10.185 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.895 -11.894 3.148 1.00 0.00 H new ATOM 212 N LYS A 17 6.061 -12.379 7.775 1.00 0.00 N ATOM 213 CA LYS A 17 6.343 -12.771 9.161 1.00 0.00 C ATOM 214 C LYS A 17 5.982 -11.684 10.178 1.00 0.00 C ATOM 215 O LYS A 17 6.138 -11.899 11.381 1.00 0.00 O ATOM 216 CB LYS A 17 7.809 -13.234 9.255 1.00 0.00 C ATOM 217 CG LYS A 17 7.974 -14.760 9.260 1.00 0.00 C ATOM 218 CD LYS A 17 7.402 -15.465 10.499 1.00 0.00 C ATOM 219 CE LYS A 17 7.921 -14.865 11.810 1.00 0.00 C ATOM 220 NZ LYS A 17 7.410 -15.588 12.986 1.00 0.00 N ATOM 0 H LYS A 17 6.652 -11.621 7.434 1.00 0.00 H new ATOM 0 HA LYS A 17 5.696 -13.606 9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.366 -12.820 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.252 -12.826 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.490 -15.167 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.035 -14.997 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.314 -15.400 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.659 -16.524 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.011 -14.890 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.626 -13.818 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.785 -15.151 13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.371 -15.543 12.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.713 -16.582 12.941 1.00 0.00 H new ATOM 234 N GLY A 18 5.477 -10.542 9.714 1.00 0.00 N ATOM 235 CA GLY A 18 5.007 -9.438 10.540 1.00 0.00 C ATOM 236 C GLY A 18 3.496 -9.458 10.739 1.00 0.00 C ATOM 237 O GLY A 18 2.835 -10.459 10.440 1.00 0.00 O ATOM 0 H GLY A 18 5.382 -10.356 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.499 -9.481 11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.297 -8.494 10.078 1.00 0.00 H new ATOM 241 N THR A 19 2.966 -8.359 11.279 1.00 0.00 N ATOM 242 CA THR A 19 1.595 -8.246 11.764 1.00 0.00 C ATOM 243 C THR A 19 0.642 -8.133 10.578 1.00 0.00 C ATOM 244 O THR A 19 1.041 -7.671 9.511 1.00 0.00 O ATOM 245 CB THR A 19 1.455 -6.979 12.640 1.00 0.00 C ATOM 246 OG1 THR A 19 2.670 -6.628 13.278 1.00 0.00 O ATOM 247 CG2 THR A 19 0.381 -7.141 13.719 1.00 0.00 C ATOM 0 H THR A 19 3.499 -7.497 11.393 1.00 0.00 H new ATOM 0 HA THR A 19 1.351 -9.130 12.353 1.00 0.00 H new ATOM 0 HB THR A 19 1.166 -6.186 11.950 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.535 -5.822 13.819 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.318 -6.227 14.310 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.582 -7.335 13.247 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.642 -7.976 14.369 1.00 0.00 H new ATOM 255 N PHE A 20 -0.637 -8.468 10.770 1.00 0.00 N ATOM 256 CA PHE A 20 -1.679 -8.291 9.764 1.00 0.00 C ATOM 257 C PHE A 20 -2.815 -7.478 10.354 1.00 0.00 C ATOM 258 O PHE A 20 -3.288 -7.764 11.463 1.00 0.00 O ATOM 259 CB PHE A 20 -2.160 -9.641 9.228 1.00 0.00 C ATOM 260 CG PHE A 20 -1.358 -10.061 8.018 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.050 -10.549 8.170 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.890 -9.883 6.729 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.718 -10.867 7.040 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.129 -10.215 5.600 1.00 0.00 C ATOM 265 CZ PHE A 20 0.183 -10.689 5.752 1.00 0.00 C ATOM 0 H PHE A 20 -0.979 -8.875 11.641 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.271 -7.745 8.913 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.072 -10.398 10.007 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.216 -9.576 8.964 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.365 -10.680 9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.888 -9.489 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.721 -11.249 7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.553 -10.106 4.612 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.780 -10.917 4.882 1.00 0.00 H new ATOM 275 N LEU A 21 -3.197 -6.433 9.623 1.00 0.00 N ATOM 276 CA LEU A 21 -4.226 -5.475 9.951 1.00 0.00 C ATOM 277 C LEU A 21 -5.144 -5.326 8.749 1.00 0.00 C ATOM 278 O LEU A 21 -4.776 -5.674 7.624 1.00 0.00 O ATOM 279 CB LEU A 21 -3.640 -4.083 10.254 1.00 0.00 C ATOM 280 CG LEU A 21 -2.284 -3.925 10.953 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.226 -4.546 12.344 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.078 -4.386 10.138 1.00 0.00 C ATOM 0 H LEU A 21 -2.759 -6.228 8.725 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.752 -5.838 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.572 -3.553 9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.374 -3.554 10.862 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.209 -2.842 11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.235 -4.392 12.770 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.973 -4.076 12.984 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.428 -5.615 12.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.167 -4.234 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.183 -5.444 9.899 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.021 -3.810 9.215 1.00 0.00 H new ATOM 294 N SER A 22 -6.278 -4.669 8.950 1.00 0.00 N ATOM 295 CA SER A 22 -7.030 -4.099 7.856 1.00 0.00 C ATOM 296 C SER A 22 -7.655 -2.767 8.252 1.00 0.00 C ATOM 297 O SER A 22 -7.538 -2.315 9.396 1.00 0.00 O ATOM 298 CB SER A 22 -8.032 -5.136 7.343 1.00 0.00 C ATOM 299 OG SER A 22 -9.047 -5.448 8.280 1.00 0.00 O ATOM 0 H SER A 22 -6.694 -4.520 9.869 1.00 0.00 H new ATOM 0 HA SER A 22 -6.367 -3.858 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.494 -4.763 6.429 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.497 -6.049 7.080 1.00 0.00 H new ATOM 0 HG SER A 22 -9.655 -6.113 7.894 1.00 0.00 H new ATOM 305 N THR A 23 -8.299 -2.111 7.296 1.00 0.00 N ATOM 306 CA THR A 23 -9.115 -0.933 7.503 1.00 0.00 C ATOM 307 C THR A 23 -10.120 -0.878 6.358 1.00 0.00 C ATOM 308 O THR A 23 -9.863 -1.427 5.283 1.00 0.00 O ATOM 309 CB THR A 23 -8.205 0.307 7.584 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.939 1.498 7.779 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.295 0.541 6.381 1.00 0.00 C ATOM 0 H THR A 23 -8.263 -2.400 6.319 1.00 0.00 H new ATOM 0 HA THR A 23 -9.668 -0.964 8.442 1.00 0.00 H new ATOM 0 HB THR A 23 -7.576 0.073 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.322 2.258 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.699 1.439 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.633 -0.315 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.902 0.667 5.484 1.00 0.00 H new ATOM 319 N THR A 24 -11.237 -0.188 6.563 1.00 0.00 N ATOM 320 CA THR A 24 -12.205 0.093 5.530 1.00 0.00 C ATOM 321 C THR A 24 -12.429 1.593 5.545 1.00 0.00 C ATOM 322 O THR A 24 -13.151 2.099 6.409 1.00 0.00 O ATOM 323 CB THR A 24 -13.485 -0.712 5.792 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.167 -2.083 5.738 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.577 -0.428 4.757 1.00 0.00 C ATOM 0 H THR A 24 -11.492 0.196 7.473 1.00 0.00 H new ATOM 0 HA THR A 24 -11.861 -0.205 4.540 1.00 0.00 H new ATOM 0 HB THR A 24 -13.868 -0.421 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.974 -2.613 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.461 -1.023 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.835 0.631 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.213 -0.690 3.763 1.00 0.00 H new ATOM 333 N LEU A 25 -11.881 2.315 4.560 1.00 0.00 N ATOM 334 CA LEU A 25 -12.086 3.760 4.535 1.00 0.00 C ATOM 335 C LEU A 25 -13.227 3.998 3.583 1.00 0.00 C ATOM 336 O LEU A 25 -13.242 3.420 2.487 1.00 0.00 O ATOM 337 CB LEU A 25 -10.915 4.576 3.978 1.00 0.00 C ATOM 338 CG LEU A 25 -9.508 4.325 4.515 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.660 5.488 4.020 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.494 4.296 6.045 1.00 0.00 C ATOM 0 H LEU A 25 -11.315 1.938 3.800 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.240 4.075 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.888 4.416 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.144 5.630 4.139 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.131 3.361 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.636 5.367 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.669 5.507 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.067 6.424 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.478 4.115 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.846 5.253 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.148 3.499 6.400 1.00 0.00 H new ATOM 352 N LYS A 26 -14.140 4.875 3.980 1.00 0.00 N ATOM 353 CA LYS A 26 -15.207 5.304 3.103 1.00 0.00 C ATOM 354 C LYS A 26 -14.653 6.486 2.315 1.00 0.00 C ATOM 355 O LYS A 26 -14.153 7.444 2.915 1.00 0.00 O ATOM 356 CB LYS A 26 -16.435 5.641 3.949 1.00 0.00 C ATOM 357 CG LYS A 26 -17.637 5.930 3.047 1.00 0.00 C ATOM 358 CD LYS A 26 -18.970 5.576 3.696 1.00 0.00 C ATOM 359 CE LYS A 26 -19.325 6.643 4.740 1.00 0.00 C ATOM 360 NZ LYS A 26 -20.234 6.132 5.782 1.00 0.00 N ATOM 0 H LYS A 26 -14.158 5.301 4.907 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.533 4.539 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.664 4.811 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.226 6.507 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.638 6.987 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.531 5.368 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.752 5.517 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.909 4.595 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.410 7.008 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.790 7.494 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.443 6.890 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.119 5.808 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.782 5.337 6.278 1.00 0.00 H new ATOM 374 N LYS A 27 -14.665 6.416 0.985 1.00 0.00 N ATOM 375 CA LYS A 27 -14.071 7.399 0.073 1.00 0.00 C ATOM 376 C LYS A 27 -14.578 8.787 0.469 1.00 0.00 C ATOM 377 O LYS A 27 -15.791 8.958 0.592 1.00 0.00 O ATOM 378 CB LYS A 27 -14.523 7.001 -1.342 1.00 0.00 C ATOM 379 CG LYS A 27 -13.953 7.788 -2.533 1.00 0.00 C ATOM 380 CD LYS A 27 -12.841 7.062 -3.323 1.00 0.00 C ATOM 381 CE LYS A 27 -12.602 7.784 -4.661 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.541 7.195 -5.515 1.00 0.00 N ATOM 0 H LYS A 27 -15.107 5.641 0.490 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.982 7.422 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.275 5.950 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.609 7.080 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.768 8.024 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.558 8.736 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.920 7.042 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.127 6.026 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.536 7.792 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.345 8.823 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.621 7.575 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.608 7.435 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.650 6.161 -5.540 1.00 0.00 H new ATOM 396 N SER A 28 -13.705 9.751 0.734 1.00 0.00 N ATOM 397 CA SER A 28 -14.099 11.136 0.991 1.00 0.00 C ATOM 398 C SER A 28 -14.117 11.887 -0.359 1.00 0.00 C ATOM 399 O SER A 28 -13.989 11.252 -1.410 1.00 0.00 O ATOM 400 CB SER A 28 -13.143 11.692 2.063 1.00 0.00 C ATOM 401 OG SER A 28 -13.806 12.400 3.098 1.00 0.00 O ATOM 0 H SER A 28 -12.698 9.596 0.778 1.00 0.00 H new ATOM 0 HA SER A 28 -15.105 11.250 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.580 10.867 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.420 12.354 1.586 1.00 0.00 H new ATOM 0 HG SER A 28 -13.147 12.725 3.746 1.00 0.00 H new ATOM 407 N ASN A 29 -14.326 13.209 -0.380 1.00 0.00 N ATOM 408 CA ASN A 29 -14.546 13.977 -1.616 1.00 0.00 C ATOM 409 C ASN A 29 -13.350 13.852 -2.562 1.00 0.00 C ATOM 410 O ASN A 29 -13.502 13.389 -3.690 1.00 0.00 O ATOM 411 CB ASN A 29 -14.857 15.462 -1.327 1.00 0.00 C ATOM 412 CG ASN A 29 -16.030 16.030 -2.115 1.00 0.00 C ATOM 413 OD1 ASN A 29 -16.522 15.445 -3.080 1.00 0.00 O ATOM 414 ND2 ASN A 29 -16.529 17.177 -1.695 1.00 0.00 N ATOM 0 H ASN A 29 -14.348 13.781 0.464 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.420 13.548 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.062 15.576 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.969 16.055 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.332 17.589 -2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.112 17.652 -0.894 1.00 0.00 H new ATOM 421 N MET A 30 -12.148 14.171 -2.076 1.00 0.00 N ATOM 422 CA MET A 30 -10.880 13.967 -2.777 1.00 0.00 C ATOM 423 C MET A 30 -10.382 12.513 -2.735 1.00 0.00 C ATOM 424 O MET A 30 -9.225 12.245 -3.056 1.00 0.00 O ATOM 425 CB MET A 30 -9.812 14.916 -2.217 1.00 0.00 C ATOM 426 CG MET A 30 -10.002 16.346 -2.724 1.00 0.00 C ATOM 427 SD MET A 30 -8.541 17.384 -2.467 1.00 0.00 S ATOM 428 CE MET A 30 -7.406 16.667 -3.688 1.00 0.00 C ATOM 0 H MET A 30 -12.028 14.592 -1.155 1.00 0.00 H new ATOM 0 HA MET A 30 -11.065 14.193 -3.827 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.853 14.908 -1.128 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.822 14.558 -2.501 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.241 16.321 -3.787 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.855 16.796 -2.216 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.606 17.376 -3.902 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.978 15.746 -3.291 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.951 16.447 -4.606 1.00 0.00 H new ATOM 438 N GLY A 31 -11.211 11.544 -2.352 1.00 0.00 N ATOM 439 CA GLY A 31 -10.839 10.141 -2.392 1.00 0.00 C ATOM 440 C GLY A 31 -10.389 9.673 -1.024 1.00 0.00 C ATOM 441 O GLY A 31 -10.945 10.089 -0.006 1.00 0.00 O ATOM 0 H GLY A 31 -12.156 11.714 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.687 9.543 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.038 9.991 -3.116 1.00 0.00 H new ATOM 445 N PHE A 32 -9.443 8.739 -1.011 1.00 0.00 N ATOM 446 CA PHE A 32 -8.842 8.245 0.213 1.00 0.00 C ATOM 447 C PHE A 32 -7.642 9.123 0.557 1.00 0.00 C ATOM 448 O PHE A 32 -6.905 9.562 -0.332 1.00 0.00 O ATOM 449 CB PHE A 32 -8.415 6.781 0.051 1.00 0.00 C ATOM 450 CG PHE A 32 -9.411 5.902 -0.678 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.512 5.371 0.014 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.232 5.606 -2.044 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.391 4.486 -0.629 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.124 4.735 -2.691 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.171 4.136 -1.970 1.00 0.00 C ATOM 0 H PHE A 32 -9.073 8.304 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.570 8.288 1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.466 6.752 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.236 6.359 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.683 5.645 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.412 6.047 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.234 4.076 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.005 4.525 -3.744 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.807 3.406 -2.448 1.00 0.00 H new ATOM 465 N GLY A 33 -7.384 9.308 1.847 1.00 0.00 N ATOM 466 CA GLY A 33 -6.311 10.151 2.348 1.00 0.00 C ATOM 467 C GLY A 33 -5.000 9.390 2.451 1.00 0.00 C ATOM 468 O GLY A 33 -4.318 9.520 3.457 1.00 0.00 O ATOM 0 H GLY A 33 -7.928 8.865 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.183 11.008 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.583 10.542 3.328 1.00 0.00 H new ATOM 472 N PHE A 34 -4.647 8.564 1.468 1.00 0.00 N ATOM 473 CA PHE A 34 -3.336 7.929 1.403 1.00 0.00 C ATOM 474 C PHE A 34 -2.941 7.732 -0.062 1.00 0.00 C ATOM 475 O PHE A 34 -3.774 7.870 -0.971 1.00 0.00 O ATOM 476 CB PHE A 34 -3.348 6.617 2.203 1.00 0.00 C ATOM 477 CG PHE A 34 -4.180 5.508 1.586 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.553 5.431 1.873 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.591 4.547 0.744 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.337 4.384 1.365 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.383 3.521 0.198 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.749 3.427 0.516 1.00 0.00 C ATOM 0 H PHE A 34 -5.264 8.317 0.694 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.580 8.567 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.322 6.265 2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.725 6.821 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.011 6.188 2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.536 4.597 0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.383 4.313 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.938 2.799 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.346 2.623 0.110 1.00 0.00 H new ATOM 492 N THR A 35 -1.676 7.416 -0.293 1.00 0.00 N ATOM 493 CA THR A 35 -1.079 7.157 -1.593 1.00 0.00 C ATOM 494 C THR A 35 -0.369 5.805 -1.524 1.00 0.00 C ATOM 495 O THR A 35 -0.047 5.313 -0.441 1.00 0.00 O ATOM 496 CB THR A 35 -0.132 8.321 -1.960 1.00 0.00 C ATOM 497 OG1 THR A 35 0.625 8.732 -0.835 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.920 9.510 -2.515 1.00 0.00 C ATOM 0 H THR A 35 -1.000 7.329 0.466 1.00 0.00 H new ATOM 0 HA THR A 35 -1.829 7.104 -2.382 1.00 0.00 H new ATOM 0 HB THR A 35 0.551 7.961 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.218 9.469 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.232 10.317 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.461 9.202 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.629 9.859 -1.764 1.00 0.00 H new ATOM 506 N ILE A 36 -0.134 5.179 -2.673 1.00 0.00 N ATOM 507 CA ILE A 36 0.519 3.894 -2.840 1.00 0.00 C ATOM 508 C ILE A 36 1.696 4.102 -3.807 1.00 0.00 C ATOM 509 O ILE A 36 1.785 5.149 -4.458 1.00 0.00 O ATOM 510 CB ILE A 36 -0.522 2.847 -3.311 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.888 2.962 -2.584 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.018 1.431 -3.044 1.00 0.00 C ATOM 513 CD1 ILE A 36 -2.924 3.911 -3.206 1.00 0.00 C ATOM 0 H ILE A 36 -0.414 5.585 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 36 0.925 3.501 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.682 3.038 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.329 1.967 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.702 3.286 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.714 0.694 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.950 1.288 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.201 1.307 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.833 3.901 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.519 4.923 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.156 3.583 -4.219 1.00 0.00 H new ATOM 525 N ILE A 37 2.642 3.168 -3.842 1.00 0.00 N ATOM 526 CA ILE A 37 3.813 3.172 -4.712 1.00 0.00 C ATOM 527 C ILE A 37 4.029 1.742 -5.236 1.00 0.00 C ATOM 528 O ILE A 37 3.494 0.791 -4.661 1.00 0.00 O ATOM 529 CB ILE A 37 5.019 3.793 -3.958 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.327 3.685 -4.768 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.191 3.237 -2.536 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.455 4.564 -4.237 1.00 0.00 C ATOM 0 H ILE A 37 2.611 2.349 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 37 3.677 3.803 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 37 4.786 4.852 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.658 2.646 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.125 3.956 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.051 3.711 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.294 3.446 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.351 2.160 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.341 4.434 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.145 5.609 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.686 4.279 -3.211 1.00 0.00 H new ATOM 544 N GLY A 38 4.770 1.617 -6.339 1.00 0.00 N ATOM 545 CA GLY A 38 5.045 0.422 -7.122 1.00 0.00 C ATOM 546 C GLY A 38 6.504 0.412 -7.585 1.00 0.00 C ATOM 547 O GLY A 38 7.148 1.465 -7.641 1.00 0.00 O ATOM 0 H GLY A 38 5.235 2.431 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.840 -0.467 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.382 0.385 -7.986 1.00 0.00 H new ATOM 551 N GLY A 39 7.063 -0.771 -7.831 1.00 0.00 N ATOM 552 CA GLY A 39 8.382 -0.953 -8.422 1.00 0.00 C ATOM 553 C GLY A 39 8.405 -0.557 -9.895 1.00 0.00 C ATOM 554 O GLY A 39 8.823 0.557 -10.217 1.00 0.00 O ATOM 0 H GLY A 39 6.596 -1.652 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.111 -0.356 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.684 -1.995 -8.322 1.00 0.00 H new ATOM 558 N ASP A 40 7.985 -1.472 -10.773 1.00 0.00 N ATOM 559 CA ASP A 40 8.013 -1.363 -12.240 1.00 0.00 C ATOM 560 C ASP A 40 7.377 -2.595 -12.902 1.00 0.00 C ATOM 561 O ASP A 40 7.008 -2.553 -14.077 1.00 0.00 O ATOM 562 CB ASP A 40 9.459 -1.250 -12.755 1.00 0.00 C ATOM 563 CG ASP A 40 9.631 -0.453 -14.055 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.677 -0.269 -14.846 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.766 0.047 -14.243 1.00 0.00 O ATOM 0 H ASP A 40 7.593 -2.362 -10.464 1.00 0.00 H new ATOM 0 HA ASP A 40 7.448 -0.468 -12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.068 -0.785 -11.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.852 -2.255 -12.909 1.00 0.00 H new ATOM 570 N GLU A 41 7.184 -3.706 -12.174 1.00 0.00 N ATOM 571 CA GLU A 41 6.631 -4.944 -12.705 1.00 0.00 C ATOM 572 C GLU A 41 5.422 -5.416 -11.894 1.00 0.00 C ATOM 573 O GLU A 41 5.374 -5.151 -10.698 1.00 0.00 O ATOM 574 CB GLU A 41 7.674 -6.055 -12.678 1.00 0.00 C ATOM 575 CG GLU A 41 8.783 -5.847 -13.708 1.00 0.00 C ATOM 576 CD GLU A 41 9.376 -7.188 -14.114 1.00 0.00 C ATOM 577 OE1 GLU A 41 10.130 -7.783 -13.307 1.00 0.00 O ATOM 578 OE2 GLU A 41 9.005 -7.688 -15.201 1.00 0.00 O ATOM 0 H GLU A 41 7.415 -3.761 -11.182 1.00 0.00 H new ATOM 0 HA GLU A 41 6.323 -4.734 -13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.114 -6.111 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.185 -7.011 -12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.385 -5.336 -14.585 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.561 -5.207 -13.292 1.00 0.00 H new ATOM 585 N PRO A 42 4.487 -6.167 -12.498 1.00 0.00 N ATOM 586 CA PRO A 42 3.411 -6.890 -11.818 1.00 0.00 C ATOM 587 C PRO A 42 3.907 -8.021 -10.881 1.00 0.00 C ATOM 588 O PRO A 42 3.491 -9.172 -11.031 1.00 0.00 O ATOM 589 CB PRO A 42 2.494 -7.405 -12.952 1.00 0.00 C ATOM 590 CG PRO A 42 2.887 -6.592 -14.179 1.00 0.00 C ATOM 591 CD PRO A 42 4.364 -6.316 -13.938 1.00 0.00 C ATOM 0 HA PRO A 42 2.877 -6.233 -11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.639 -8.472 -13.123 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.442 -7.262 -12.704 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.724 -7.148 -15.102 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.310 -5.670 -14.256 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.984 -7.134 -14.305 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.687 -5.414 -14.457 1.00 0.00 H new ATOM 599 N ASP A 43 4.843 -7.762 -9.967 1.00 0.00 N ATOM 600 CA ASP A 43 5.250 -8.666 -8.879 1.00 0.00 C ATOM 601 C ASP A 43 5.916 -7.856 -7.763 1.00 0.00 C ATOM 602 O ASP A 43 6.557 -8.396 -6.854 1.00 0.00 O ATOM 603 CB ASP A 43 6.132 -9.835 -9.366 1.00 0.00 C ATOM 604 CG ASP A 43 7.333 -9.466 -10.239 1.00 0.00 C ATOM 605 OD1 ASP A 43 8.290 -8.822 -9.767 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.323 -9.914 -11.418 1.00 0.00 O ATOM 0 H ASP A 43 5.361 -6.884 -9.960 1.00 0.00 H new ATOM 0 HA ASP A 43 4.354 -9.140 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.498 -10.373 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.503 -10.527 -9.926 1.00 0.00 H new ATOM 611 N GLU A 44 5.754 -6.538 -7.838 1.00 0.00 N ATOM 612 CA GLU A 44 6.303 -5.538 -6.960 1.00 0.00 C ATOM 613 C GLU A 44 5.559 -5.520 -5.628 1.00 0.00 C ATOM 614 O GLU A 44 4.430 -6.010 -5.531 1.00 0.00 O ATOM 615 CB GLU A 44 6.256 -4.217 -7.721 1.00 0.00 C ATOM 616 CG GLU A 44 4.825 -3.699 -7.910 1.00 0.00 C ATOM 617 CD GLU A 44 4.677 -2.617 -8.981 1.00 0.00 C ATOM 618 OE1 GLU A 44 5.611 -2.404 -9.787 1.00 0.00 O ATOM 619 OE2 GLU A 44 3.665 -1.882 -9.009 1.00 0.00 O ATOM 0 H GLU A 44 5.189 -6.120 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 44 7.337 -5.749 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.841 -3.471 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.724 -4.347 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.180 -4.539 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.467 -3.303 -6.960 1.00 0.00 H new ATOM 626 N PHE A 45 6.177 -4.955 -4.590 1.00 0.00 N ATOM 627 CA PHE A 45 5.521 -4.815 -3.294 1.00 0.00 C ATOM 628 C PHE A 45 4.867 -3.454 -3.227 1.00 0.00 C ATOM 629 O PHE A 45 5.543 -2.425 -3.200 1.00 0.00 O ATOM 630 CB PHE A 45 6.477 -5.027 -2.117 1.00 0.00 C ATOM 631 CG PHE A 45 7.217 -6.341 -2.198 1.00 0.00 C ATOM 632 CD1 PHE A 45 6.559 -7.535 -1.847 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.540 -6.378 -2.674 1.00 0.00 C ATOM 634 CE1 PHE A 45 7.229 -8.766 -1.962 1.00 0.00 C ATOM 635 CE2 PHE A 45 9.204 -7.608 -2.793 1.00 0.00 C ATOM 636 CZ PHE A 45 8.555 -8.802 -2.431 1.00 0.00 C ATOM 0 H PHE A 45 7.128 -4.589 -4.623 1.00 0.00 H new ATOM 0 HA PHE A 45 4.767 -5.598 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.198 -4.210 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.913 -4.989 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.540 -7.506 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.043 -5.462 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.726 -9.683 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.218 -7.638 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.074 -9.746 -2.513 1.00 0.00 H new ATOM 646 N LEU A 46 3.543 -3.458 -3.201 1.00 0.00 N ATOM 647 CA LEU A 46 2.719 -2.268 -3.107 1.00 0.00 C ATOM 648 C LEU A 46 2.676 -1.875 -1.638 1.00 0.00 C ATOM 649 O LEU A 46 2.119 -2.620 -0.828 1.00 0.00 O ATOM 650 CB LEU A 46 1.308 -2.602 -3.614 1.00 0.00 C ATOM 651 CG LEU A 46 1.286 -2.888 -5.126 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.101 -3.770 -5.508 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.162 -1.597 -5.922 1.00 0.00 C ATOM 0 H LEU A 46 2.997 -4.319 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 46 3.117 -1.449 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.927 -3.470 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.638 -1.771 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 46 2.223 -3.394 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.115 -3.953 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.168 -4.720 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.828 -3.268 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.149 -1.826 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.237 -1.088 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.011 -0.950 -5.701 1.00 0.00 H new ATOM 665 N GLN A 47 3.269 -0.741 -1.270 1.00 0.00 N ATOM 666 CA GLN A 47 3.232 -0.238 0.100 1.00 0.00 C ATOM 667 C GLN A 47 2.519 1.105 0.123 1.00 0.00 C ATOM 668 O GLN A 47 2.516 1.821 -0.883 1.00 0.00 O ATOM 669 CB GLN A 47 4.647 -0.124 0.691 1.00 0.00 C ATOM 670 CG GLN A 47 5.391 -1.467 0.678 1.00 0.00 C ATOM 671 CD GLN A 47 6.729 -1.422 1.420 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.777 -1.679 0.842 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.731 -1.120 2.711 1.00 0.00 N ATOM 0 H GLN A 47 3.789 -0.145 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 47 2.682 -0.945 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.218 0.611 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.583 0.244 1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.758 -2.230 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.566 -1.768 -0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.854 -0.907 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.610 -1.101 3.229 1.00 0.00 H new ATOM 682 N VAL A 48 1.939 1.479 1.268 1.00 0.00 N ATOM 683 CA VAL A 48 1.415 2.819 1.450 1.00 0.00 C ATOM 684 C VAL A 48 2.598 3.783 1.303 1.00 0.00 C ATOM 685 O VAL A 48 3.565 3.706 2.073 1.00 0.00 O ATOM 686 CB VAL A 48 0.711 2.919 2.816 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.301 4.362 3.101 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.550 2.045 2.863 1.00 0.00 C ATOM 0 H VAL A 48 1.825 0.867 2.076 1.00 0.00 H new ATOM 0 HA VAL A 48 0.660 3.076 0.707 1.00 0.00 H new ATOM 0 HB VAL A 48 1.420 2.571 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.195 4.415 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.187 4.997 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.382 4.706 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.022 2.139 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.247 2.370 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.278 1.004 2.691 1.00 0.00 H new ATOM 698 N LYS A 49 2.549 4.640 0.279 1.00 0.00 N ATOM 699 CA LYS A 49 3.573 5.628 -0.026 1.00 0.00 C ATOM 700 C LYS A 49 3.627 6.652 1.095 1.00 0.00 C ATOM 701 O LYS A 49 4.694 6.899 1.657 1.00 0.00 O ATOM 702 CB LYS A 49 3.314 6.282 -1.390 1.00 0.00 C ATOM 703 CG LYS A 49 4.492 7.161 -1.839 1.00 0.00 C ATOM 704 CD LYS A 49 4.108 8.092 -2.994 1.00 0.00 C ATOM 705 CE LYS A 49 4.003 7.412 -4.360 1.00 0.00 C ATOM 706 NZ LYS A 49 3.227 8.237 -5.309 1.00 0.00 N ATOM 0 H LYS A 49 1.769 4.661 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 49 4.545 5.139 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.135 5.507 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.409 6.888 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.842 7.756 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.322 6.525 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.151 8.559 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.846 8.892 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.002 7.236 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.528 6.437 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.172 7.751 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.267 8.384 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.695 9.158 -5.432 1.00 0.00 H new ATOM 720 N SER A 50 2.488 7.262 1.412 1.00 0.00 N ATOM 721 CA SER A 50 2.300 8.127 2.559 1.00 0.00 C ATOM 722 C SER A 50 0.816 8.122 2.917 1.00 0.00 C ATOM 723 O SER A 50 -0.033 7.803 2.078 1.00 0.00 O ATOM 724 CB SER A 50 2.740 9.553 2.217 1.00 0.00 C ATOM 725 OG SER A 50 4.035 9.608 1.629 1.00 0.00 O ATOM 0 H SER A 50 1.642 7.159 0.851 1.00 0.00 H new ATOM 0 HA SER A 50 2.897 7.771 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.017 9.996 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.733 10.157 3.124 1.00 0.00 H new ATOM 0 HG SER A 50 4.265 10.540 1.430 1.00 0.00 H new ATOM 731 N VAL A 51 0.496 8.533 4.137 1.00 0.00 N ATOM 732 CA VAL A 51 -0.842 8.958 4.514 1.00 0.00 C ATOM 733 C VAL A 51 -0.875 10.487 4.329 1.00 0.00 C ATOM 734 O VAL A 51 0.129 11.165 4.567 1.00 0.00 O ATOM 735 CB VAL A 51 -1.113 8.485 5.958 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.552 8.806 6.370 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.959 6.959 6.109 1.00 0.00 C ATOM 0 H VAL A 51 1.169 8.581 4.902 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.635 8.526 3.904 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.385 9.004 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.723 8.465 7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.715 9.882 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.245 8.300 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.159 6.674 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.666 6.455 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.057 6.668 5.843 1.00 0.00 H new ATOM 747 N ILE A 52 -1.976 11.047 3.826 1.00 0.00 N ATOM 748 CA ILE A 52 -2.220 12.476 3.782 1.00 0.00 C ATOM 749 C ILE A 52 -2.746 12.875 5.171 1.00 0.00 C ATOM 750 O ILE A 52 -3.664 12.221 5.680 1.00 0.00 O ATOM 751 CB ILE A 52 -3.232 12.785 2.658 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.604 12.678 1.256 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.812 14.207 2.763 1.00 0.00 C ATOM 754 CD1 ILE A 52 -2.087 11.322 0.781 1.00 0.00 C ATOM 0 H ILE A 52 -2.739 10.498 3.429 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.319 13.047 3.559 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.016 12.039 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.347 13.018 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.772 13.381 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.518 14.373 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.326 14.321 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.004 14.935 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.677 11.421 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.308 10.972 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.907 10.604 0.770 1.00 0.00 H new ATOM 766 N PRO A 53 -2.205 13.941 5.781 1.00 0.00 N ATOM 767 CA PRO A 53 -2.673 14.437 7.065 1.00 0.00 C ATOM 768 C PRO A 53 -4.079 15.027 6.941 1.00 0.00 C ATOM 769 O PRO A 53 -4.531 15.353 5.844 1.00 0.00 O ATOM 770 CB PRO A 53 -1.661 15.500 7.478 1.00 0.00 C ATOM 771 CG PRO A 53 -1.134 16.029 6.148 1.00 0.00 C ATOM 772 CD PRO A 53 -1.167 14.804 5.246 1.00 0.00 C ATOM 0 HA PRO A 53 -2.744 13.642 7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.127 16.290 8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.862 15.078 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.759 16.832 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.125 16.429 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.385 15.084 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.202 14.297 5.241 1.00 0.00 H new ATOM 780 N ASP A 54 -4.777 15.145 8.072 1.00 0.00 N ATOM 781 CA ASP A 54 -6.189 15.531 8.215 1.00 0.00 C ATOM 782 C ASP A 54 -7.179 14.589 7.500 1.00 0.00 C ATOM 783 O ASP A 54 -8.349 14.540 7.873 1.00 0.00 O ATOM 784 CB ASP A 54 -6.404 17.007 7.847 1.00 0.00 C ATOM 785 CG ASP A 54 -7.876 17.398 7.927 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.465 17.413 9.032 1.00 0.00 O ATOM 787 OD2 ASP A 54 -8.462 17.688 6.856 1.00 0.00 O ATOM 0 H ASP A 54 -4.344 14.961 8.977 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.425 15.415 9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.822 17.638 8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.033 17.189 6.838 1.00 0.00 H new ATOM 792 N GLY A 55 -6.719 13.776 6.548 1.00 0.00 N ATOM 793 CA GLY A 55 -7.534 12.963 5.666 1.00 0.00 C ATOM 794 C GLY A 55 -8.215 11.779 6.356 1.00 0.00 C ATOM 795 O GLY A 55 -7.913 11.447 7.508 1.00 0.00 O ATOM 0 H GLY A 55 -5.721 13.667 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.299 13.594 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.909 12.587 4.856 1.00 0.00 H new ATOM 799 N PRO A 56 -9.087 11.065 5.622 1.00 0.00 N ATOM 800 CA PRO A 56 -9.956 10.027 6.170 1.00 0.00 C ATOM 801 C PRO A 56 -9.146 8.825 6.669 1.00 0.00 C ATOM 802 O PRO A 56 -9.537 8.164 7.624 1.00 0.00 O ATOM 803 CB PRO A 56 -10.888 9.630 5.012 1.00 0.00 C ATOM 804 CG PRO A 56 -10.064 9.963 3.773 1.00 0.00 C ATOM 805 CD PRO A 56 -9.323 11.222 4.198 1.00 0.00 C ATOM 0 HA PRO A 56 -10.514 10.384 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.149 8.572 5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.823 10.190 5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.378 9.157 3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.695 10.138 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.385 11.329 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.914 12.115 3.993 1.00 0.00 H new ATOM 813 N ALA A 57 -8.013 8.540 6.019 1.00 0.00 N ATOM 814 CA ALA A 57 -7.147 7.417 6.351 1.00 0.00 C ATOM 815 C ALA A 57 -6.502 7.618 7.719 1.00 0.00 C ATOM 816 O ALA A 57 -6.390 6.676 8.500 1.00 0.00 O ATOM 817 CB ALA A 57 -6.087 7.294 5.253 1.00 0.00 C ATOM 0 H ALA A 57 -7.671 9.096 5.235 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.729 6.497 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.425 6.458 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.575 7.121 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.506 8.215 5.204 1.00 0.00 H new ATOM 823 N ALA A 58 -6.092 8.860 7.984 1.00 0.00 N ATOM 824 CA ALA A 58 -5.561 9.277 9.259 1.00 0.00 C ATOM 825 C ALA A 58 -6.678 9.291 10.304 1.00 0.00 C ATOM 826 O ALA A 58 -6.461 8.774 11.398 1.00 0.00 O ATOM 827 CB ALA A 58 -4.898 10.647 9.087 1.00 0.00 C ATOM 0 H ALA A 58 -6.126 9.611 7.295 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.804 8.578 9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.491 10.977 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.093 10.572 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.638 11.368 8.739 1.00 0.00 H new ATOM 833 N GLN A 59 -7.853 9.857 9.999 1.00 0.00 N ATOM 834 CA GLN A 59 -8.952 9.954 10.960 1.00 0.00 C ATOM 835 C GLN A 59 -9.454 8.583 11.404 1.00 0.00 C ATOM 836 O GLN A 59 -9.697 8.386 12.597 1.00 0.00 O ATOM 837 CB GLN A 59 -10.119 10.763 10.387 1.00 0.00 C ATOM 838 CG GLN A 59 -9.812 12.265 10.350 1.00 0.00 C ATOM 839 CD GLN A 59 -11.027 13.092 9.930 1.00 0.00 C ATOM 840 OE1 GLN A 59 -12.164 12.826 10.317 1.00 0.00 O ATOM 841 NE2 GLN A 59 -10.828 14.108 9.110 1.00 0.00 N ATOM 0 H GLN A 59 -8.065 10.257 9.085 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.551 10.469 11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.342 10.413 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.011 10.590 10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.476 12.590 11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.992 12.450 9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.885 14.328 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.617 14.673 8.797 1.00 0.00 H new ATOM 850 N ASP A 60 -9.606 7.623 10.487 1.00 0.00 N ATOM 851 CA ASP A 60 -10.010 6.262 10.854 1.00 0.00 C ATOM 852 C ASP A 60 -8.895 5.534 11.614 1.00 0.00 C ATOM 853 O ASP A 60 -9.127 4.438 12.100 1.00 0.00 O ATOM 854 CB ASP A 60 -10.450 5.447 9.623 1.00 0.00 C ATOM 855 CG ASP A 60 -11.276 4.188 9.966 1.00 0.00 C ATOM 856 OD1 ASP A 60 -11.900 4.087 11.052 1.00 0.00 O ATOM 857 OD2 ASP A 60 -11.462 3.342 9.062 1.00 0.00 O ATOM 0 H ASP A 60 -9.456 7.762 9.488 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.870 6.353 11.518 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.039 6.088 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.564 5.147 9.063 1.00 0.00 H new ATOM 862 N GLY A 61 -7.696 6.117 11.749 1.00 0.00 N ATOM 863 CA GLY A 61 -6.659 5.680 12.681 1.00 0.00 C ATOM 864 C GLY A 61 -6.222 4.234 12.469 1.00 0.00 C ATOM 865 O GLY A 61 -5.903 3.546 13.441 1.00 0.00 O ATOM 0 H GLY A 61 -7.418 6.927 11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.792 6.332 12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.026 5.795 13.701 1.00 0.00 H new ATOM 869 N LYS A 62 -6.293 3.735 11.229 1.00 0.00 N ATOM 870 CA LYS A 62 -6.061 2.333 10.879 1.00 0.00 C ATOM 871 C LYS A 62 -5.192 2.191 9.623 1.00 0.00 C ATOM 872 O LYS A 62 -4.901 1.065 9.217 1.00 0.00 O ATOM 873 CB LYS A 62 -7.408 1.629 10.741 1.00 0.00 C ATOM 874 CG LYS A 62 -8.171 1.468 12.063 1.00 0.00 C ATOM 875 CD LYS A 62 -9.635 1.229 11.744 1.00 0.00 C ATOM 876 CE LYS A 62 -10.468 1.338 13.022 1.00 0.00 C ATOM 877 NZ LYS A 62 -10.900 2.724 13.299 1.00 0.00 N ATOM 0 H LYS A 62 -6.520 4.314 10.420 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.496 1.852 11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.029 2.190 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.247 0.643 10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.766 0.633 12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.057 2.361 12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.980 1.958 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.763 0.243 11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.346 0.698 12.936 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.885 0.967 13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.233 2.794 14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.099 3.372 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.672 2.983 12.652 1.00 0.00 H new ATOM 891 N MET A 63 -4.776 3.302 9.006 1.00 0.00 N ATOM 892 CA MET A 63 -3.790 3.356 7.941 1.00 0.00 C ATOM 893 C MET A 63 -2.557 4.038 8.509 1.00 0.00 C ATOM 894 O MET A 63 -2.705 5.085 9.144 1.00 0.00 O ATOM 895 CB MET A 63 -4.326 4.232 6.805 1.00 0.00 C ATOM 896 CG MET A 63 -3.535 4.033 5.505 1.00 0.00 C ATOM 897 SD MET A 63 -4.039 2.599 4.526 1.00 0.00 S ATOM 898 CE MET A 63 -5.767 3.059 4.281 1.00 0.00 C ATOM 0 H MET A 63 -5.138 4.224 9.252 1.00 0.00 H new ATOM 0 HA MET A 63 -3.569 2.355 7.569 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.376 3.997 6.630 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.279 5.280 7.102 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.638 4.929 4.892 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.478 3.935 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.130 2.627 3.348 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.365 2.684 5.112 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.851 4.145 4.235 1.00 0.00 H new ATOM 908 N GLU A 64 -1.363 3.530 8.217 1.00 0.00 N ATOM 909 CA GLU A 64 -0.108 4.228 8.454 1.00 0.00 C ATOM 910 C GLU A 64 0.779 4.087 7.218 1.00 0.00 C ATOM 911 O GLU A 64 0.457 3.339 6.292 1.00 0.00 O ATOM 912 CB GLU A 64 0.572 3.732 9.736 1.00 0.00 C ATOM 913 CG GLU A 64 -0.206 4.138 10.992 1.00 0.00 C ATOM 914 CD GLU A 64 0.723 4.623 12.097 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.252 3.792 12.865 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.968 5.851 12.154 1.00 0.00 O ATOM 0 H GLU A 64 -1.241 2.606 7.802 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.300 5.289 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.663 2.646 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.583 4.135 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.916 4.926 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.786 3.288 11.351 1.00 0.00 H new ATOM 923 N THR A 65 1.851 4.874 7.171 1.00 0.00 N ATOM 924 CA THR A 65 2.820 4.883 6.085 1.00 0.00 C ATOM 925 C THR A 65 3.750 3.666 6.219 1.00 0.00 C ATOM 926 O THR A 65 3.889 3.105 7.307 1.00 0.00 O ATOM 927 CB THR A 65 3.579 6.222 6.162 1.00 0.00 C ATOM 928 OG1 THR A 65 2.670 7.312 6.148 1.00 0.00 O ATOM 929 CG2 THR A 65 4.555 6.440 5.009 1.00 0.00 C ATOM 0 H THR A 65 2.073 5.541 7.910 1.00 0.00 H new ATOM 0 HA THR A 65 2.343 4.804 5.108 1.00 0.00 H new ATOM 0 HB THR A 65 4.143 6.174 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.168 8.154 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.052 7.402 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.300 5.644 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.011 6.429 4.065 1.00 0.00 H new ATOM 937 N GLY A 66 4.416 3.270 5.126 1.00 0.00 N ATOM 938 CA GLY A 66 5.448 2.243 5.179 1.00 0.00 C ATOM 939 C GLY A 66 4.881 0.887 5.576 1.00 0.00 C ATOM 940 O GLY A 66 5.503 0.154 6.341 1.00 0.00 O ATOM 0 H GLY A 66 4.253 3.651 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.931 2.163 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.217 2.538 5.893 1.00 0.00 H new ATOM 944 N ASP A 67 3.702 0.550 5.063 1.00 0.00 N ATOM 945 CA ASP A 67 2.988 -0.687 5.368 1.00 0.00 C ATOM 946 C ASP A 67 2.529 -1.307 4.049 1.00 0.00 C ATOM 947 O ASP A 67 2.350 -0.580 3.074 1.00 0.00 O ATOM 948 CB ASP A 67 1.791 -0.350 6.260 1.00 0.00 C ATOM 949 CG ASP A 67 2.118 -0.257 7.749 1.00 0.00 C ATOM 950 OD1 ASP A 67 2.799 -1.158 8.289 1.00 0.00 O ATOM 951 OD2 ASP A 67 1.549 0.602 8.450 1.00 0.00 O ATOM 0 H ASP A 67 3.202 1.147 4.404 1.00 0.00 H new ATOM 0 HA ASP A 67 3.626 -1.398 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.367 0.600 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.022 -1.109 6.116 1.00 0.00 H new ATOM 956 N VAL A 68 2.359 -2.628 3.980 1.00 0.00 N ATOM 957 CA VAL A 68 2.311 -3.380 2.719 1.00 0.00 C ATOM 958 C VAL A 68 0.866 -3.747 2.394 1.00 0.00 C ATOM 959 O VAL A 68 0.263 -4.472 3.177 1.00 0.00 O ATOM 960 CB VAL A 68 3.193 -4.644 2.838 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.211 -5.421 1.510 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.619 -4.298 3.298 1.00 0.00 C ATOM 0 H VAL A 68 2.249 -3.216 4.806 1.00 0.00 H new ATOM 0 HA VAL A 68 2.698 -2.765 1.906 1.00 0.00 H new ATOM 0 HB VAL A 68 2.754 -5.285 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.837 -6.307 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.196 -5.723 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.612 -4.784 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.210 -5.211 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.080 -3.624 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.579 -3.814 4.274 1.00 0.00 H new ATOM 972 N ILE A 69 0.305 -3.266 1.279 1.00 0.00 N ATOM 973 CA ILE A 69 -0.998 -3.674 0.776 1.00 0.00 C ATOM 974 C ILE A 69 -0.876 -5.134 0.353 1.00 0.00 C ATOM 975 O ILE A 69 0.099 -5.547 -0.290 1.00 0.00 O ATOM 976 CB ILE A 69 -1.514 -2.788 -0.384 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.672 -1.310 0.022 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.923 -3.241 -0.834 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.389 -0.484 0.058 1.00 0.00 C ATOM 0 H ILE A 69 0.760 -2.566 0.693 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.741 -3.553 1.564 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.770 -2.891 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.366 -0.836 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.132 -1.272 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.266 -2.605 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.881 -4.276 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.616 -3.162 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.623 0.538 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.305 -0.921 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.068 -0.478 -0.932 1.00 0.00 H new ATOM 991 N VAL A 70 -1.915 -5.885 0.686 1.00 0.00 N ATOM 992 CA VAL A 70 -2.045 -7.303 0.394 1.00 0.00 C ATOM 993 C VAL A 70 -3.316 -7.556 -0.429 1.00 0.00 C ATOM 994 O VAL A 70 -3.263 -8.156 -1.509 1.00 0.00 O ATOM 995 CB VAL A 70 -2.040 -8.091 1.717 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.862 -9.575 1.434 1.00 0.00 C ATOM 997 CG2 VAL A 70 -0.996 -7.606 2.739 1.00 0.00 C ATOM 0 H VAL A 70 -2.721 -5.508 1.186 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.202 -7.646 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.008 -7.909 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.859 -10.127 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.682 -9.927 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.916 -9.736 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.060 -8.214 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.002 -7.697 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.190 -6.563 2.990 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.462 -7.097 0.077 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.773 -7.324 -0.515 1.00 0.00 C ATOM 1009 C TYR A 71 -6.533 -5.998 -0.546 1.00 0.00 C ATOM 1010 O TYR A 71 -6.341 -5.162 0.343 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.572 -8.353 0.304 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.948 -9.725 0.514 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -6.192 -10.761 -0.403 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.196 -10.006 1.672 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.684 -12.050 -0.177 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.721 -11.301 1.933 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.955 -12.333 1.001 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.448 -13.576 1.219 1.00 0.00 O ATOM 0 H TYR A 71 -4.500 -6.543 0.933 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.645 -7.714 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.770 -7.921 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.537 -8.494 -0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.776 -10.564 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.981 -9.211 2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.851 -12.829 -0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.178 -11.506 2.844 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.975 -13.591 2.077 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.413 -5.832 -1.536 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.325 -4.703 -1.685 1.00 0.00 C ATOM 1030 C ILE A 72 -9.716 -5.323 -1.808 1.00 0.00 C ATOM 1031 O ILE A 72 -9.930 -6.216 -2.627 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.923 -3.828 -2.897 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.501 -3.256 -2.672 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.913 -2.696 -3.207 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.993 -2.298 -3.756 1.00 0.00 C ATOM 0 H ILE A 72 -7.511 -6.514 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.296 -4.019 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.939 -4.479 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.486 -2.734 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.802 -4.089 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.560 -2.130 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.893 -3.120 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.990 -2.034 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.990 -1.958 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.967 -2.815 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.661 -1.439 -3.825 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.641 -4.865 -0.967 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.885 -5.530 -0.575 1.00 0.00 C ATOM 1049 C ASN A 73 -11.636 -7.003 -0.259 1.00 0.00 C ATOM 1050 O ASN A 73 -11.295 -7.314 0.882 1.00 0.00 O ATOM 1051 CB ASN A 73 -13.057 -5.297 -1.553 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.949 -4.106 -1.211 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.032 -3.658 -0.062 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.659 -3.578 -2.192 1.00 0.00 N ATOM 0 H ASN A 73 -10.536 -3.959 -0.510 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.222 -5.053 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.653 -5.154 -2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.672 -6.197 -1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.283 -2.793 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.583 -3.955 -3.137 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.798 -7.899 -1.227 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.615 -9.341 -1.079 1.00 0.00 C ATOM 1063 C GLU A 74 -10.601 -9.884 -2.089 1.00 0.00 C ATOM 1064 O GLU A 74 -10.218 -11.047 -2.007 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.975 -10.036 -1.262 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.914 -9.810 -0.066 1.00 0.00 C ATOM 1067 CD GLU A 74 -15.360 -10.229 -0.362 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -15.595 -11.234 -1.076 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -16.294 -9.495 0.029 1.00 0.00 O ATOM 0 H GLU A 74 -12.071 -7.632 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.222 -9.545 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.451 -9.664 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.818 -11.106 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.545 -10.373 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.895 -8.756 0.212 1.00 0.00 H new ATOM 1076 N VAL A 75 -10.139 -9.073 -3.037 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.288 -9.509 -4.131 1.00 0.00 C ATOM 1078 C VAL A 75 -7.827 -9.441 -3.656 1.00 0.00 C ATOM 1079 O VAL A 75 -7.437 -8.484 -2.980 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.598 -8.612 -5.352 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.677 -8.950 -6.536 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -11.058 -8.752 -5.818 1.00 0.00 C ATOM 0 H VAL A 75 -10.352 -8.076 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.471 -10.540 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.426 -7.586 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.918 -8.304 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.638 -8.795 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.821 -9.991 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.229 -8.104 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.252 -9.787 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.728 -8.465 -5.008 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.992 -10.422 -4.011 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.545 -10.352 -3.805 1.00 0.00 C ATOM 1094 C CYS A 76 -4.931 -9.451 -4.881 1.00 0.00 C ATOM 1095 O CYS A 76 -5.192 -9.654 -6.066 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.946 -11.762 -3.833 1.00 0.00 C ATOM 1097 SG CYS A 76 -3.143 -11.691 -3.631 1.00 0.00 S ATOM 0 H CYS A 76 -7.303 -11.289 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.322 -9.922 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.384 -12.365 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.193 -12.250 -4.776 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.656 -12.896 -3.655 1.00 0.00 H new ATOM 1103 N VAL A 77 -4.101 -8.490 -4.469 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.264 -7.652 -5.343 1.00 0.00 C ATOM 1105 C VAL A 77 -1.795 -7.626 -4.863 1.00 0.00 C ATOM 1106 O VAL A 77 -1.023 -6.787 -5.322 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.829 -6.214 -5.445 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.049 -6.108 -6.373 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -4.159 -5.624 -4.066 1.00 0.00 C ATOM 0 H VAL A 77 -3.986 -8.262 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.284 -8.098 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.029 -5.623 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.396 -5.075 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.770 -6.424 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.847 -6.749 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.552 -4.615 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.905 -6.247 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.255 -5.591 -3.459 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.392 -8.477 -3.910 1.00 0.00 N ATOM 1120 CA LEU A 78 -0.107 -8.360 -3.208 1.00 0.00 C ATOM 1121 C LEU A 78 1.080 -8.219 -4.147 1.00 0.00 C ATOM 1122 O LEU A 78 1.963 -7.415 -3.850 1.00 0.00 O ATOM 1123 CB LEU A 78 0.053 -9.471 -2.158 1.00 0.00 C ATOM 1124 CG LEU A 78 0.847 -10.746 -2.511 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.369 -10.571 -2.553 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.599 -11.780 -1.404 1.00 0.00 C ATOM 0 H LEU A 78 -1.953 -9.272 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.121 -7.418 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.524 -9.026 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.948 -9.783 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 78 0.505 -11.034 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.838 -11.521 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.629 -9.824 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.725 -10.243 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.150 -12.693 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.937 -11.378 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.466 -12.004 -1.347 1.00 0.00 H new ATOM 1138 N GLY A 79 1.092 -9.007 -5.223 1.00 0.00 N ATOM 1139 CA GLY A 79 2.120 -9.083 -6.241 1.00 0.00 C ATOM 1140 C GLY A 79 1.563 -8.616 -7.574 1.00 0.00 C ATOM 1141 O GLY A 79 1.846 -9.252 -8.587 1.00 0.00 O ATOM 0 H GLY A 79 0.325 -9.652 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.972 -8.465 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.483 -10.107 -6.328 1.00 0.00 H new ATOM 1145 N HIS A 80 0.684 -7.612 -7.564 1.00 0.00 N ATOM 1146 CA HIS A 80 0.104 -7.030 -8.773 1.00 0.00 C ATOM 1147 C HIS A 80 0.931 -5.814 -9.209 1.00 0.00 C ATOM 1148 O HIS A 80 2.100 -5.732 -8.844 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.380 -6.736 -8.516 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.272 -6.939 -9.708 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -3.387 -6.197 -10.008 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.245 -8.004 -10.572 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.037 -6.816 -10.999 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -3.358 -7.896 -11.409 1.00 0.00 N ATOM 0 H HIS A 80 0.352 -7.176 -6.704 1.00 0.00 H new ATOM 0 HA HIS A 80 0.141 -7.723 -9.613 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.728 -7.375 -7.705 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.479 -5.705 -8.175 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.499 -8.784 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.980 -6.490 -11.412 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.605 -8.517 -12.180 1.00 0.00 H new ATOM 1162 N THR A 81 0.379 -4.888 -10.005 1.00 0.00 N ATOM 1163 CA THR A 81 1.059 -3.641 -10.350 1.00 0.00 C ATOM 1164 C THR A 81 0.215 -2.464 -9.868 1.00 0.00 C ATOM 1165 O THR A 81 -1.021 -2.479 -9.935 1.00 0.00 O ATOM 1166 CB THR A 81 1.448 -3.584 -11.841 1.00 0.00 C ATOM 1167 OG1 THR A 81 1.867 -2.295 -12.248 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.309 -3.981 -12.766 1.00 0.00 C ATOM 0 H THR A 81 -0.546 -4.985 -10.424 1.00 0.00 H new ATOM 0 HA THR A 81 2.016 -3.585 -9.831 1.00 0.00 H new ATOM 0 HB THR A 81 2.269 -4.297 -11.923 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.104 -2.313 -13.199 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.644 -3.921 -13.802 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.002 -5.002 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.533 -3.305 -12.617 1.00 0.00 H new ATOM 1176 N HIS A 82 0.916 -1.424 -9.418 1.00 0.00 N ATOM 1177 CA HIS A 82 0.407 -0.133 -8.988 1.00 0.00 C ATOM 1178 C HIS A 82 -0.464 0.485 -10.069 1.00 0.00 C ATOM 1179 O HIS A 82 -1.542 0.982 -9.757 1.00 0.00 O ATOM 1180 CB HIS A 82 1.619 0.739 -8.641 1.00 0.00 C ATOM 1181 CG HIS A 82 1.278 2.082 -8.068 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.669 3.295 -8.581 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.576 2.312 -6.918 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.203 4.245 -7.756 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.508 3.696 -6.742 1.00 0.00 N ATOM 0 H HIS A 82 1.932 -1.471 -9.341 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.231 -0.231 -8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.244 0.202 -7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.216 0.884 -9.542 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.212 3.445 -9.431 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.152 1.562 -6.266 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.363 5.305 -7.887 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.062 0.412 -11.339 1.00 0.00 N ATOM 1194 CA ALA A 83 -0.846 1.002 -12.414 1.00 0.00 C ATOM 1195 C ALA A 83 -2.256 0.395 -12.498 1.00 0.00 C ATOM 1196 O ALA A 83 -3.183 1.101 -12.902 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.096 0.846 -13.736 1.00 0.00 C ATOM 0 H ALA A 83 0.797 -0.048 -11.642 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.978 2.063 -12.201 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.683 1.288 -14.541 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.867 1.351 -13.670 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.063 -0.213 -13.941 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.430 -0.870 -12.100 1.00 0.00 N ATOM 1204 CA ASP A 84 -3.713 -1.567 -12.106 1.00 0.00 C ATOM 1205 C ASP A 84 -4.498 -1.198 -10.833 1.00 0.00 C ATOM 1206 O ASP A 84 -5.589 -0.661 -10.905 1.00 0.00 O ATOM 1207 CB ASP A 84 -3.483 -3.082 -12.289 1.00 0.00 C ATOM 1208 CG ASP A 84 -4.698 -3.804 -12.890 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -5.850 -3.568 -12.450 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -4.495 -4.635 -13.808 1.00 0.00 O ATOM 0 H ASP A 84 -1.662 -1.448 -11.757 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.327 -1.253 -12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.619 -3.238 -12.935 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.244 -3.527 -11.323 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.932 -1.380 -9.645 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.417 -1.034 -8.307 1.00 0.00 C ATOM 1217 C VAL A 85 -4.870 0.421 -8.211 1.00 0.00 C ATOM 1218 O VAL A 85 -5.946 0.693 -7.676 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.294 -1.429 -7.310 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.254 -0.644 -5.993 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.433 -2.920 -6.994 1.00 0.00 C ATOM 0 H VAL A 85 -3.016 -1.825 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.323 -1.587 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.359 -1.182 -7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.430 -1.007 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.110 0.415 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.194 -0.782 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.652 -3.218 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.410 -3.108 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.336 -3.497 -7.913 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.127 1.379 -8.755 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.593 2.756 -8.793 1.00 0.00 C ATOM 1233 C VAL A 86 -5.880 2.840 -9.609 1.00 0.00 C ATOM 1234 O VAL A 86 -6.761 3.622 -9.245 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.480 3.685 -9.307 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -4.001 5.120 -9.476 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.318 3.711 -8.300 1.00 0.00 C ATOM 0 H VAL A 86 -3.208 1.228 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.833 3.100 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.143 3.304 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.196 5.759 -9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.822 5.127 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.354 5.494 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.532 4.370 -8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.678 4.077 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.919 2.704 -8.178 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.062 2.014 -10.643 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.285 2.030 -11.422 1.00 0.00 C ATOM 1249 C LYS A 87 -8.429 1.456 -10.585 1.00 0.00 C ATOM 1250 O LYS A 87 -9.557 1.940 -10.662 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.002 1.274 -12.737 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.751 -0.052 -12.922 1.00 0.00 C ATOM 1253 CD LYS A 87 -7.169 -0.799 -14.124 1.00 0.00 C ATOM 1254 CE LYS A 87 -8.176 -1.675 -14.865 1.00 0.00 C ATOM 1255 NZ LYS A 87 -8.388 -2.960 -14.171 1.00 0.00 N ATOM 0 H LYS A 87 -5.373 1.329 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.605 3.037 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.252 1.930 -13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.932 1.076 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.662 -0.662 -12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.814 0.136 -13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.754 -0.073 -14.822 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.343 -1.423 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.125 -1.146 -14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.821 -1.862 -15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.509 -3.718 -14.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.564 -3.171 -13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.240 -2.898 -13.578 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.128 0.470 -9.742 1.00 0.00 N ATOM 1270 CA LEU A 88 -9.086 -0.234 -8.908 1.00 0.00 C ATOM 1271 C LEU A 88 -9.695 0.728 -7.896 1.00 0.00 C ATOM 1272 O LEU A 88 -10.909 0.754 -7.702 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.385 -1.392 -8.187 1.00 0.00 C ATOM 1274 CG LEU A 88 -7.825 -2.516 -9.070 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.335 -3.644 -8.142 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -8.768 -3.037 -10.151 1.00 0.00 C ATOM 0 H LEU A 88 -7.174 0.131 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.884 -0.636 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.565 -0.980 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.091 -1.832 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.004 -2.094 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.931 -4.459 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.558 -3.260 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.169 -4.012 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.273 -3.827 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.671 -3.434 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.035 -2.223 -10.825 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.860 1.573 -7.295 1.00 0.00 N ATOM 1289 CA PHE A 89 -9.274 2.608 -6.356 1.00 0.00 C ATOM 1290 C PHE A 89 -10.207 3.660 -6.998 1.00 0.00 C ATOM 1291 O PHE A 89 -10.933 4.355 -6.275 1.00 0.00 O ATOM 1292 CB PHE A 89 -8.012 3.260 -5.780 1.00 0.00 C ATOM 1293 CG PHE A 89 -7.273 2.484 -4.704 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.891 2.233 -3.466 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.929 2.104 -4.887 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -7.153 1.691 -2.403 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -5.202 1.521 -3.836 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.803 1.343 -2.582 1.00 0.00 C ATOM 0 H PHE A 89 -7.852 1.555 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.860 2.148 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.320 3.446 -6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.288 4.231 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.939 2.459 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.453 2.262 -5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.624 1.541 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.180 1.210 -3.994 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.232 0.941 -1.758 1.00 0.00 H new ATOM 1308 N GLN A 90 -10.229 3.773 -8.334 1.00 0.00 N ATOM 1309 CA GLN A 90 -11.126 4.655 -9.084 1.00 0.00 C ATOM 1310 C GLN A 90 -12.438 3.965 -9.508 1.00 0.00 C ATOM 1311 O GLN A 90 -13.397 4.630 -9.909 1.00 0.00 O ATOM 1312 CB GLN A 90 -10.401 5.222 -10.297 1.00 0.00 C ATOM 1313 CG GLN A 90 -9.122 6.006 -9.960 1.00 0.00 C ATOM 1314 CD GLN A 90 -9.268 7.241 -9.065 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -9.731 7.172 -7.928 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -8.793 8.386 -9.527 1.00 0.00 N ATOM 0 H GLN A 90 -9.605 3.237 -8.937 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.411 5.466 -8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.145 4.402 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.082 5.877 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.424 5.321 -9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.663 6.321 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.410 8.436 -10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.809 9.219 -8.939 1.00 0.00 H new ATOM 1325 N SER A 91 -12.533 2.642 -9.376 1.00 0.00 N ATOM 1326 CA SER A 91 -13.807 1.911 -9.367 1.00 0.00 C ATOM 1327 C SER A 91 -14.580 2.068 -8.048 1.00 0.00 C ATOM 1328 O SER A 91 -15.560 1.352 -7.821 1.00 0.00 O ATOM 1329 CB SER A 91 -13.594 0.442 -9.753 1.00 0.00 C ATOM 1330 OG SER A 91 -13.653 0.319 -11.162 1.00 0.00 O ATOM 0 H SER A 91 -11.719 2.037 -9.271 1.00 0.00 H new ATOM 0 HA SER A 91 -14.444 2.364 -10.127 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.629 0.093 -9.385 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.357 -0.183 -9.289 1.00 0.00 H new ATOM 0 HG SER A 91 -13.516 -0.618 -11.415 1.00 0.00 H new ATOM 1336 N VAL A 92 -14.188 3.012 -7.185 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.881 3.280 -5.937 1.00 0.00 C ATOM 1338 C VAL A 92 -15.550 4.659 -6.134 1.00 0.00 C ATOM 1339 O VAL A 92 -14.922 5.684 -5.841 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.845 3.169 -4.777 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.537 2.948 -3.429 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.881 1.977 -4.950 1.00 0.00 C ATOM 0 H VAL A 92 -13.376 3.610 -7.341 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.667 2.574 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.298 4.111 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.786 2.875 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.202 3.786 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.116 2.025 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.183 1.950 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.452 1.049 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.327 2.090 -5.882 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.823 4.727 -6.578 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.507 5.982 -6.916 1.00 0.00 C ATOM 1354 C PRO A 93 -18.012 6.647 -5.642 1.00 0.00 C ATOM 1355 O PRO A 93 -18.410 5.932 -4.723 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.661 5.576 -7.835 1.00 0.00 C ATOM 1357 CG PRO A 93 -19.015 4.169 -7.364 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.656 3.599 -6.970 1.00 0.00 C ATOM 0 HA PRO A 93 -16.853 6.703 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.508 6.256 -7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.361 5.585 -8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.707 4.185 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.487 3.584 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.758 2.890 -6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.207 3.059 -7.804 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.928 7.976 -5.528 1.00 0.00 N ATOM 1367 CA ILE A 94 -18.058 8.691 -4.255 1.00 0.00 C ATOM 1368 C ILE A 94 -19.347 8.248 -3.557 1.00 0.00 C ATOM 1369 O ILE A 94 -20.415 8.230 -4.179 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.929 10.222 -4.420 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.590 10.600 -5.089 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -17.969 10.916 -3.044 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.564 10.588 -6.624 1.00 0.00 C ATOM 0 H ILE A 94 -17.766 8.592 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 94 -17.223 8.424 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.763 10.547 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.309 11.597 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.823 9.914 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.877 11.994 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -18.914 10.691 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.144 10.555 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.571 10.870 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -16.805 9.588 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -17.298 11.297 -7.006 1.00 0.00 H new ATOM 1385 N GLY A 95 -19.202 7.795 -2.311 1.00 0.00 N ATOM 1386 CA GLY A 95 -20.216 7.126 -1.511 1.00 0.00 C ATOM 1387 C GLY A 95 -19.835 5.703 -1.116 1.00 0.00 C ATOM 1388 O GLY A 95 -20.391 5.217 -0.131 1.00 0.00 O ATOM 0 H GLY A 95 -18.320 7.894 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.399 7.709 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.151 7.102 -2.070 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.843 5.077 -1.761 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.430 3.717 -1.419 1.00 0.00 C ATOM 1394 C GLN A 96 -17.256 3.764 -0.442 1.00 0.00 C ATOM 1395 O GLN A 96 -16.662 4.821 -0.200 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.018 2.925 -2.677 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.084 2.740 -3.751 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.386 2.207 -3.202 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -20.434 1.090 -2.695 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.435 2.993 -3.324 1.00 0.00 N ATOM 0 H GLN A 96 -18.312 5.495 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.279 3.212 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.163 3.427 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -17.678 1.938 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.267 3.696 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -18.710 2.056 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.336 3.913 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.347 2.682 -2.988 1.00 0.00 H new ATOM 1409 N SER A 97 -16.869 2.592 0.051 1.00 0.00 N ATOM 1410 CA SER A 97 -15.670 2.292 0.783 1.00 0.00 C ATOM 1411 C SER A 97 -14.981 1.099 0.106 1.00 0.00 C ATOM 1412 O SER A 97 -15.607 0.418 -0.712 1.00 0.00 O ATOM 1413 CB SER A 97 -16.128 1.903 2.186 1.00 0.00 C ATOM 1414 OG SER A 97 -17.113 2.752 2.747 1.00 0.00 O ATOM 0 H SER A 97 -17.448 1.761 -0.069 1.00 0.00 H new ATOM 0 HA SER A 97 -14.973 3.129 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.520 0.886 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.260 1.891 2.846 1.00 0.00 H new ATOM 0 HG SER A 97 -17.350 2.431 3.642 1.00 0.00 H new ATOM 1420 N VAL A 98 -13.725 0.819 0.457 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.064 -0.466 0.217 1.00 0.00 C ATOM 1422 C VAL A 98 -12.400 -0.920 1.511 1.00 0.00 C ATOM 1423 O VAL A 98 -11.951 -0.066 2.278 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.042 -0.383 -0.934 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -12.788 -0.194 -2.244 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.022 0.747 -0.772 1.00 0.00 C ATOM 0 H VAL A 98 -13.124 1.496 0.928 1.00 0.00 H new ATOM 0 HA VAL A 98 -13.812 -1.197 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.479 -1.316 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.073 -0.134 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.457 -1.039 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.370 0.727 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.336 0.743 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.542 1.704 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.460 0.600 0.150 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.311 -2.233 1.729 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.482 -2.825 2.781 1.00 0.00 C ATOM 1438 C ASN A 99 -10.080 -2.916 2.199 1.00 0.00 C ATOM 1439 O ASN A 99 -9.930 -3.034 0.981 1.00 0.00 O ATOM 1440 CB ASN A 99 -11.890 -4.254 3.192 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.321 -4.433 3.669 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -13.571 -4.887 4.783 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -14.308 -4.200 2.817 1.00 0.00 N ATOM 0 H ASN A 99 -12.818 -2.923 1.174 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.579 -2.204 3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.728 -4.915 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.221 -4.586 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.272 -4.397 3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.104 -3.823 1.891 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.056 -2.877 3.037 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.660 -2.877 2.638 1.00 0.00 C ATOM 1452 C LEU A 100 -6.918 -3.641 3.724 1.00 0.00 C ATOM 1453 O LEU A 100 -6.992 -3.237 4.881 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.138 -1.431 2.547 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.918 -0.500 1.597 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.653 0.958 1.944 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.523 -0.740 0.139 1.00 0.00 C ATOM 0 H LEU A 100 -9.180 -2.843 4.049 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.518 -3.336 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.152 -0.995 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.097 -1.459 2.226 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.978 -0.723 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.211 1.601 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.970 1.152 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.587 1.167 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.090 -0.069 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.457 -0.549 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.740 -1.773 -0.132 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.252 -4.746 3.387 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.387 -5.461 4.328 1.00 0.00 C ATOM 1471 C VAL A 101 -4.002 -4.859 4.185 1.00 0.00 C ATOM 1472 O VAL A 101 -3.502 -4.788 3.056 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.337 -6.968 4.013 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.459 -7.766 4.988 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.752 -7.565 4.060 1.00 0.00 C ATOM 0 H VAL A 101 -6.296 -5.169 2.460 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.770 -5.360 5.344 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.900 -7.048 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.469 -8.819 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.437 -7.390 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.847 -7.656 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.705 -8.631 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.175 -7.422 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.382 -7.067 3.323 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.387 -4.471 5.310 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.969 -4.154 5.347 1.00 0.00 C ATOM 1487 C LEU A 102 -1.235 -5.207 6.176 1.00 0.00 C ATOM 1488 O LEU A 102 -1.817 -5.826 7.067 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.654 -2.741 5.880 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.234 -1.525 5.130 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.444 -0.247 5.454 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.161 -1.643 3.612 1.00 0.00 C ATOM 0 H LEU A 102 -3.861 -4.371 6.208 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.621 -4.164 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.002 -2.691 6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.570 -2.630 5.903 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.272 -1.487 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.875 0.594 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.492 -0.051 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.404 -0.377 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.588 -0.750 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.120 -1.745 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.722 -2.519 3.288 1.00 0.00 H new ATOM 1504 N CYS A 103 0.066 -5.356 5.930 1.00 0.00 N ATOM 1505 CA CYS A 103 0.985 -6.118 6.761 1.00 0.00 C ATOM 1506 C CYS A 103 2.011 -5.138 7.328 1.00 0.00 C ATOM 1507 O CYS A 103 2.543 -4.310 6.576 1.00 0.00 O ATOM 1508 CB CYS A 103 1.622 -7.249 5.940 1.00 0.00 C ATOM 1509 SG CYS A 103 2.816 -8.190 6.934 1.00 0.00 S ATOM 0 H CYS A 103 0.520 -4.934 5.120 1.00 0.00 H new ATOM 0 HA CYS A 103 0.471 -6.603 7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.844 -7.918 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.122 -6.831 5.066 1.00 0.00 H new ATOM 0 HG CYS A 103 2.338 -9.374 7.181 1.00 0.00 H new ATOM 1515 N ARG A 104 2.215 -5.143 8.651 1.00 0.00 N ATOM 1516 CA ARG A 104 3.278 -4.390 9.322 1.00 0.00 C ATOM 1517 C ARG A 104 4.572 -5.199 9.297 1.00 0.00 C ATOM 1518 O ARG A 104 4.522 -6.423 9.217 1.00 0.00 O ATOM 1519 CB ARG A 104 2.887 -4.067 10.776 1.00 0.00 C ATOM 1520 CG ARG A 104 3.484 -2.754 11.318 1.00 0.00 C ATOM 1521 CD ARG A 104 2.455 -1.850 12.002 1.00 0.00 C ATOM 1522 NE ARG A 104 1.563 -1.203 11.027 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.296 -0.820 11.238 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.327 -1.123 12.373 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.355 -0.163 10.289 1.00 0.00 N ATOM 0 H ARG A 104 1.635 -5.680 9.295 1.00 0.00 H new ATOM 0 HA ARG A 104 3.426 -3.449 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.800 -4.013 10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.206 -4.889 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.276 -2.991 12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.946 -2.208 10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.862 -2.439 12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.971 -1.087 12.584 1.00 0.00 H new ATOM 0 HE ARG A 104 1.947 -1.029 10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.159 -1.653 13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.291 -0.825 12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.108 0.048 9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.319 0.132 10.442 1.00 0.00 H new ATOM 1539 N GLY A 105 5.713 -4.524 9.407 1.00 0.00 N ATOM 1540 CA GLY A 105 6.993 -5.140 9.750 1.00 0.00 C ATOM 1541 C GLY A 105 8.051 -5.034 8.665 1.00 0.00 C ATOM 1542 O GLY A 105 9.143 -5.597 8.803 1.00 0.00 O ATOM 0 H GLY A 105 5.776 -3.517 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.374 -4.675 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.826 -6.193 9.977 1.00 0.00 H new ATOM 1546 N TYR A 106 7.759 -4.299 7.597 1.00 0.00 N ATOM 1547 CA TYR A 106 8.674 -4.053 6.499 1.00 0.00 C ATOM 1548 C TYR A 106 8.886 -2.534 6.434 1.00 0.00 C ATOM 1549 O TYR A 106 7.900 -1.797 6.549 1.00 0.00 O ATOM 1550 CB TYR A 106 8.078 -4.659 5.216 1.00 0.00 C ATOM 1551 CG TYR A 106 7.949 -6.179 5.275 1.00 0.00 C ATOM 1552 CD1 TYR A 106 9.048 -6.986 4.924 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.765 -6.790 5.739 1.00 0.00 C ATOM 1554 CE1 TYR A 106 8.986 -8.384 5.068 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.694 -8.189 5.880 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.813 -8.993 5.566 1.00 0.00 C ATOM 1557 OH TYR A 106 7.757 -10.336 5.787 1.00 0.00 O ATOM 0 H TYR A 106 6.853 -3.847 7.472 1.00 0.00 H new ATOM 0 HA TYR A 106 9.648 -4.525 6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.095 -4.224 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.705 -4.386 4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.947 -6.527 4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.908 -6.181 5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.836 -8.992 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.782 -8.649 6.229 1.00 0.00 H new ATOM 0 HH TYR A 106 8.191 -10.545 6.640 1.00 0.00 H new ATOM 1567 N PRO A 107 10.127 -2.034 6.304 1.00 0.00 N ATOM 1568 CA PRO A 107 10.402 -0.606 6.160 1.00 0.00 C ATOM 1569 C PRO A 107 9.878 -0.073 4.817 1.00 0.00 C ATOM 1570 O PRO A 107 9.250 -0.797 4.032 1.00 0.00 O ATOM 1571 CB PRO A 107 11.922 -0.463 6.328 1.00 0.00 C ATOM 1572 CG PRO A 107 12.456 -1.816 5.873 1.00 0.00 C ATOM 1573 CD PRO A 107 11.371 -2.790 6.316 1.00 0.00 C ATOM 0 HA PRO A 107 9.885 -0.003 6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.319 0.351 5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.194 -0.251 7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.607 -1.846 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.416 -2.046 6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.315 -3.645 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.580 -3.182 7.311 1.00 0.00 H new ATOM 1581 N LEU A 108 10.099 1.214 4.555 1.00 0.00 N ATOM 1582 CA LEU A 108 9.708 1.863 3.306 1.00 0.00 C ATOM 1583 C LEU A 108 10.527 1.323 2.122 1.00 0.00 C ATOM 1584 O LEU A 108 11.611 0.780 2.328 1.00 0.00 O ATOM 1585 CB LEU A 108 9.858 3.385 3.486 1.00 0.00 C ATOM 1586 CG LEU A 108 8.630 3.952 4.225 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.927 5.257 4.946 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.487 4.201 3.240 1.00 0.00 C ATOM 0 H LEU A 108 10.560 1.843 5.213 1.00 0.00 H new ATOM 0 HA LEU A 108 8.667 1.639 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.765 3.605 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.962 3.866 2.513 1.00 0.00 H new ATOM 0 HG LEU A 108 8.350 3.205 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.026 5.609 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.713 5.095 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.255 6.005 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.626 4.601 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.808 4.916 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.211 3.263 2.759 1.00 0.00 H new ATOM 1600 N PRO A 109 10.032 1.450 0.876 1.00 0.00 N ATOM 1601 CA PRO A 109 10.686 0.876 -0.300 1.00 0.00 C ATOM 1602 C PRO A 109 11.890 1.691 -0.759 1.00 0.00 C ATOM 1603 O PRO A 109 12.782 1.175 -1.428 1.00 0.00 O ATOM 1604 CB PRO A 109 9.605 0.883 -1.377 1.00 0.00 C ATOM 1605 CG PRO A 109 8.740 2.089 -1.024 1.00 0.00 C ATOM 1606 CD PRO A 109 8.760 2.054 0.502 1.00 0.00 C ATOM 0 HA PRO A 109 11.076 -0.118 -0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.035 0.979 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.026 -0.040 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.154 3.018 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.729 1.997 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.669 3.058 0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.924 1.472 0.889 1.00 0.00 H new