USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 784 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 63 TYR OH : rot 150:sc= 0.249 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -139:sc= 0.714 (180deg=-1.29!) USER MOD Set 2.1: A 28 TYR OH : rot -39:sc= 1.15 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc=-0.00201 USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= -0.116 (180deg=-0.691) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= -0.756 (180deg=-0.792) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.807 USER MOD Single : A 18 ASN : amide:sc= -0.915 K(o=-0.91,f=-8.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 170:sc= -3.16! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 71:sc= -1.18! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 57 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.87) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 170:sc= 0.079 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.93) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0666 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -100:sc= -1.31 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.111) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.188 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.567 K(o=0.57,f=-4.5!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.392 3.897 11.833 1.00 0.00 N ATOM 113 CA ALA A 10 -7.321 4.064 10.857 1.00 0.00 C ATOM 114 C ALA A 10 -7.674 3.392 9.534 1.00 0.00 C ATOM 115 O ALA A 10 -8.218 2.289 9.513 1.00 0.00 O ATOM 116 CB ALA A 10 -6.017 3.505 11.405 1.00 0.00 C ATOM 0 HA ALA A 10 -7.196 5.130 10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.226 3.636 10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.750 4.034 12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.139 2.444 11.622 1.00 0.00 H new ATOM 122 N LYS A 11 -7.360 4.066 8.433 1.00 0.00 N ATOM 123 CA LYS A 11 -7.644 3.534 7.105 1.00 0.00 C ATOM 124 C LYS A 11 -6.710 2.374 6.773 1.00 0.00 C ATOM 125 O LYS A 11 -5.492 2.542 6.709 1.00 0.00 O ATOM 126 CB LYS A 11 -7.502 4.635 6.051 1.00 0.00 C ATOM 127 CG LYS A 11 -8.801 5.369 5.760 1.00 0.00 C ATOM 128 CD LYS A 11 -8.590 6.504 4.771 1.00 0.00 C ATOM 129 CE LYS A 11 -7.937 7.705 5.434 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.766 8.244 6.548 1.00 0.00 N ATOM 0 H LYS A 11 -6.909 4.981 8.434 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.670 3.165 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.755 5.354 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.128 4.195 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.534 4.668 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.212 5.766 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.967 6.158 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.549 6.799 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.957 7.420 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.775 8.486 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.849 9.276 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.713 7.816 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.316 8.017 7.457 1.00 0.00 H new ATOM 144 N LYS A 12 -7.290 1.197 6.562 1.00 0.00 N ATOM 145 CA LYS A 12 -6.510 0.009 6.235 1.00 0.00 C ATOM 146 C LYS A 12 -6.078 0.029 4.773 1.00 0.00 C ATOM 147 O LYS A 12 -6.857 -0.305 3.880 1.00 0.00 O ATOM 148 CB LYS A 12 -7.323 -1.256 6.524 1.00 0.00 C ATOM 149 CG LYS A 12 -7.030 -1.868 7.884 1.00 0.00 C ATOM 150 CD LYS A 12 -5.846 -2.820 7.824 1.00 0.00 C ATOM 151 CE LYS A 12 -5.311 -3.131 9.212 1.00 0.00 C ATOM 152 NZ LYS A 12 -3.866 -3.492 9.182 1.00 0.00 N ATOM 0 H LYS A 12 -8.297 1.040 6.612 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.616 0.007 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.385 -1.018 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.117 -1.995 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.825 -1.076 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.910 -2.403 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.146 -3.746 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.054 -2.380 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.456 -2.266 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.882 -3.952 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.543 -3.713 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.728 -4.322 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.316 -2.692 8.808 1.00 0.00 H new ATOM 166 N VAL A 13 -4.831 0.421 4.535 1.00 0.00 N ATOM 167 CA VAL A 13 -4.295 0.486 3.181 1.00 0.00 C ATOM 168 C VAL A 13 -3.207 -0.561 2.972 1.00 0.00 C ATOM 169 O VAL A 13 -2.436 -0.862 3.884 1.00 0.00 O ATOM 170 CB VAL A 13 -3.716 1.878 2.871 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.835 2.891 2.680 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.769 2.321 3.976 1.00 0.00 C ATOM 0 H VAL A 13 -4.172 0.699 5.263 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.125 0.287 2.503 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.149 1.817 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.407 3.869 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.470 2.580 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.431 2.951 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.370 3.307 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.309 2.366 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.949 1.608 4.060 1.00 0.00 H new ATOM 182 N ARG A 14 -3.149 -1.116 1.765 1.00 0.00 N ATOM 183 CA ARG A 14 -2.155 -2.131 1.436 1.00 0.00 C ATOM 184 C ARG A 14 -1.194 -1.625 0.364 1.00 0.00 C ATOM 185 O ARG A 14 -1.604 -0.964 -0.590 1.00 0.00 O ATOM 186 CB ARG A 14 -2.844 -3.411 0.956 1.00 0.00 C ATOM 187 CG ARG A 14 -1.910 -4.607 0.869 1.00 0.00 C ATOM 188 CD ARG A 14 -2.670 -5.917 1.001 1.00 0.00 C ATOM 189 NE ARG A 14 -1.932 -6.902 1.787 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.391 -8.117 2.075 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.586 -8.501 1.644 1.00 0.00 N ATOM 192 NH2 ARG A 14 -1.654 -8.951 2.797 1.00 0.00 N ATOM 0 H ARG A 14 -3.779 -0.879 0.999 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.583 -2.349 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.664 -3.649 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.284 -3.231 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.379 -4.587 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.158 -4.541 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.636 -5.730 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.870 -6.321 0.009 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.009 -6.643 2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.157 -7.864 1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.933 -9.434 1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.735 -8.661 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.006 -9.882 3.018 1.00 0.00 H new ATOM 206 N PHE A 15 0.086 -1.943 0.528 1.00 0.00 N ATOM 207 CA PHE A 15 1.106 -1.522 -0.425 1.00 0.00 C ATOM 208 C PHE A 15 1.853 -2.725 -0.990 1.00 0.00 C ATOM 209 O PHE A 15 2.332 -3.578 -0.242 1.00 0.00 O ATOM 210 CB PHE A 15 2.094 -0.563 0.242 1.00 0.00 C ATOM 211 CG PHE A 15 1.513 0.791 0.536 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.029 1.589 -0.488 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.451 1.264 1.838 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.495 2.834 -0.220 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.919 2.510 2.111 1.00 0.00 C ATOM 216 CZ PHE A 15 0.439 3.296 1.081 1.00 0.00 C ATOM 0 H PHE A 15 0.441 -2.491 1.312 1.00 0.00 H new ATOM 0 HA PHE A 15 0.608 -1.007 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.447 -1.008 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.964 -0.443 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.070 1.233 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.822 0.652 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.121 3.446 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.878 2.869 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.021 4.269 1.292 1.00 0.00 H new ATOM 226 N TYR A 16 1.948 -2.790 -2.314 1.00 0.00 N ATOM 227 CA TYR A 16 2.636 -3.891 -2.979 1.00 0.00 C ATOM 228 C TYR A 16 3.912 -3.403 -3.658 1.00 0.00 C ATOM 229 O TYR A 16 4.158 -2.201 -3.749 1.00 0.00 O ATOM 230 CB TYR A 16 1.716 -4.547 -4.009 1.00 0.00 C ATOM 231 CG TYR A 16 0.644 -5.419 -3.396 1.00 0.00 C ATOM 232 CD1 TYR A 16 -0.531 -4.865 -2.902 1.00 0.00 C ATOM 233 CD2 TYR A 16 0.804 -6.796 -3.313 1.00 0.00 C ATOM 234 CE1 TYR A 16 -1.513 -5.659 -2.342 1.00 0.00 C ATOM 235 CE2 TYR A 16 -0.174 -7.597 -2.754 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.330 -7.023 -2.270 1.00 0.00 C ATOM 237 OH TYR A 16 -2.307 -7.816 -1.713 1.00 0.00 O ATOM 0 H TYR A 16 1.557 -2.093 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 16 2.906 -4.628 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.241 -3.769 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.318 -5.150 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.679 -3.797 -2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.708 -7.249 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.420 -5.213 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.033 -8.666 -2.697 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.184 -7.404 -1.857 1.00 0.00 H new ATOM 247 N ARG A 17 4.719 -4.345 -4.135 1.00 0.00 N ATOM 248 CA ARG A 17 5.968 -4.011 -4.809 1.00 0.00 C ATOM 249 C ARG A 17 5.799 -4.057 -6.324 1.00 0.00 C ATOM 250 O ARG A 17 5.282 -5.031 -6.871 1.00 0.00 O ATOM 251 CB ARG A 17 7.077 -4.974 -4.378 1.00 0.00 C ATOM 252 CG ARG A 17 7.890 -4.474 -3.194 1.00 0.00 C ATOM 253 CD ARG A 17 9.166 -5.280 -3.016 1.00 0.00 C ATOM 254 NE ARG A 17 8.912 -6.581 -2.402 1.00 0.00 N ATOM 255 CZ ARG A 17 9.787 -7.584 -2.402 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.972 -7.441 -2.980 1.00 0.00 N ATOM 257 NH2 ARG A 17 9.475 -8.736 -1.822 1.00 0.00 N ATOM 0 H ARG A 17 4.530 -5.345 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 17 6.246 -2.996 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.633 -5.936 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.746 -5.146 -5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.139 -3.423 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.289 -4.536 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.642 -5.424 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.866 -4.718 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 17 8.011 -6.729 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.218 -6.558 -3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.638 -8.214 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.565 -8.853 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.145 -9.505 -1.822 1.00 0.00 H new ATOM 271 N ASN A 18 6.237 -2.998 -6.995 1.00 0.00 N ATOM 272 CA ASN A 18 6.133 -2.918 -8.447 1.00 0.00 C ATOM 273 C ASN A 18 7.075 -3.912 -9.117 1.00 0.00 C ATOM 274 O ASN A 18 8.295 -3.745 -9.084 1.00 0.00 O ATOM 275 CB ASN A 18 6.448 -1.498 -8.924 1.00 0.00 C ATOM 276 CG ASN A 18 6.148 -1.303 -10.397 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.313 -2.003 -10.971 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.830 -0.348 -11.018 1.00 0.00 N ATOM 0 H ASN A 18 6.667 -2.183 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 18 5.110 -3.170 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.867 -0.784 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.500 -1.280 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.671 -0.171 -12.010 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.513 0.208 -10.503 1.00 0.00 H new ATOM 285 N GLY A 19 6.502 -4.946 -9.724 1.00 0.00 N ATOM 286 CA GLY A 19 7.305 -5.952 -10.393 1.00 0.00 C ATOM 287 C GLY A 19 7.229 -7.305 -9.712 1.00 0.00 C ATOM 288 O GLY A 19 7.016 -8.326 -10.366 1.00 0.00 O ATOM 0 H GLY A 19 5.495 -5.105 -9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.972 -6.050 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.343 -5.622 -10.423 1.00 0.00 H new ATOM 292 N ASP A 20 7.403 -7.312 -8.395 1.00 0.00 N ATOM 293 CA ASP A 20 7.353 -8.550 -7.624 1.00 0.00 C ATOM 294 C ASP A 20 5.914 -8.922 -7.284 1.00 0.00 C ATOM 295 O ASP A 20 5.304 -8.335 -6.390 1.00 0.00 O ATOM 296 CB ASP A 20 8.172 -8.408 -6.339 1.00 0.00 C ATOM 297 CG ASP A 20 8.803 -9.717 -5.908 1.00 0.00 C ATOM 298 OD1 ASP A 20 8.302 -10.783 -6.324 1.00 0.00 O ATOM 299 OD2 ASP A 20 9.797 -9.678 -5.153 1.00 0.00 O ATOM 0 H ASP A 20 7.580 -6.475 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 20 7.780 -9.346 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.954 -7.663 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.529 -8.038 -5.541 1.00 0.00 H new ATOM 304 N ARG A 21 5.376 -9.902 -8.003 1.00 0.00 N ATOM 305 CA ARG A 21 4.008 -10.353 -7.778 1.00 0.00 C ATOM 306 C ARG A 21 3.935 -11.304 -6.586 1.00 0.00 C ATOM 307 O ARG A 21 2.905 -11.399 -5.918 1.00 0.00 O ATOM 308 CB ARG A 21 3.462 -11.043 -9.030 1.00 0.00 C ATOM 309 CG ARG A 21 4.199 -12.323 -9.391 1.00 0.00 C ATOM 310 CD ARG A 21 3.426 -13.143 -10.412 1.00 0.00 C ATOM 311 NE ARG A 21 2.699 -14.248 -9.790 1.00 0.00 N ATOM 312 CZ ARG A 21 3.261 -15.407 -9.453 1.00 0.00 C ATOM 313 NH1 ARG A 21 4.553 -15.617 -9.673 1.00 0.00 N ATOM 314 NH2 ARG A 21 2.528 -16.359 -8.893 1.00 0.00 N ATOM 0 H ARG A 21 5.867 -10.399 -8.746 1.00 0.00 H new ATOM 0 HA ARG A 21 3.397 -9.478 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.407 -11.272 -8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.520 -10.351 -9.870 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.183 -12.077 -9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.359 -12.918 -8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.723 -12.497 -10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.116 -13.537 -11.158 1.00 0.00 H new ATOM 0 HE ARG A 21 1.704 -14.124 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.122 -14.888 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.977 -16.507 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.535 -16.203 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.957 -17.247 -8.634 1.00 0.00 H new ATOM 328 N TYR A 22 5.034 -12.006 -6.324 1.00 0.00 N ATOM 329 CA TYR A 22 5.093 -12.948 -5.212 1.00 0.00 C ATOM 330 C TYR A 22 4.782 -12.254 -3.890 1.00 0.00 C ATOM 331 O TYR A 22 4.254 -12.870 -2.962 1.00 0.00 O ATOM 332 CB TYR A 22 6.474 -13.603 -5.145 1.00 0.00 C ATOM 333 CG TYR A 22 6.729 -14.597 -6.255 1.00 0.00 C ATOM 334 CD1 TYR A 22 7.240 -14.185 -7.479 1.00 0.00 C ATOM 335 CD2 TYR A 22 6.458 -15.949 -6.078 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.474 -15.090 -8.495 1.00 0.00 C ATOM 337 CE2 TYR A 22 6.691 -16.860 -7.090 1.00 0.00 C ATOM 338 CZ TYR A 22 7.199 -16.426 -8.298 1.00 0.00 C ATOM 339 OH TYR A 22 7.431 -17.331 -9.308 1.00 0.00 O ATOM 0 H TYR A 22 5.895 -11.940 -6.867 1.00 0.00 H new ATOM 0 HA TYR A 22 4.340 -13.718 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.237 -12.826 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.581 -14.108 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.458 -13.139 -7.639 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.059 -16.292 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.871 -14.752 -9.441 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.477 -17.907 -6.937 1.00 0.00 H new ATOM 0 HH TYR A 22 7.185 -18.230 -9.005 1.00 0.00 H new ATOM 349 N PHE A 23 5.111 -10.968 -3.809 1.00 0.00 N ATOM 350 CA PHE A 23 4.865 -10.189 -2.600 1.00 0.00 C ATOM 351 C PHE A 23 3.385 -10.207 -2.231 1.00 0.00 C ATOM 352 O PHE A 23 2.517 -10.092 -3.096 1.00 0.00 O ATOM 353 CB PHE A 23 5.336 -8.746 -2.796 1.00 0.00 C ATOM 354 CG PHE A 23 5.538 -8.001 -1.508 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.246 -8.574 -0.463 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.021 -6.726 -1.342 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.434 -7.890 0.722 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.205 -6.037 -0.158 1.00 0.00 C ATOM 359 CZ PHE A 23 5.914 -6.619 0.875 1.00 0.00 C ATOM 0 H PHE A 23 5.549 -10.443 -4.566 1.00 0.00 H new ATOM 0 HA PHE A 23 5.429 -10.642 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.272 -8.751 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.605 -8.213 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.655 -9.567 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.468 -6.265 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.987 -8.348 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.795 -5.045 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.062 -6.082 1.800 1.00 0.00 H new ATOM 369 N LYS A 24 3.104 -10.353 -0.940 1.00 0.00 N ATOM 370 CA LYS A 24 1.728 -10.386 -0.457 1.00 0.00 C ATOM 371 C LYS A 24 1.264 -9.001 -0.010 1.00 0.00 C ATOM 372 O LYS A 24 0.267 -8.872 0.699 1.00 0.00 O ATOM 373 CB LYS A 24 1.598 -11.375 0.703 1.00 0.00 C ATOM 374 CG LYS A 24 2.299 -12.702 0.454 1.00 0.00 C ATOM 375 CD LYS A 24 3.252 -13.053 1.585 1.00 0.00 C ATOM 376 CE LYS A 24 3.419 -14.557 1.728 1.00 0.00 C ATOM 377 NZ LYS A 24 4.467 -14.908 2.725 1.00 0.00 N ATOM 0 H LYS A 24 3.810 -10.450 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 24 1.093 -10.710 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.009 -10.920 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.541 -11.562 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.556 -13.492 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.851 -12.652 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.223 -12.594 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.877 -12.637 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.470 -15.001 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.680 -14.987 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.549 -15.943 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.379 -14.507 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.206 -14.520 3.654 1.00 0.00 H new ATOM 391 N GLY A 25 1.991 -7.967 -0.428 1.00 0.00 N ATOM 392 CA GLY A 25 1.631 -6.612 -0.058 1.00 0.00 C ATOM 393 C GLY A 25 1.667 -6.389 1.441 1.00 0.00 C ATOM 394 O GLY A 25 1.447 -7.316 2.220 1.00 0.00 O ATOM 0 H GLY A 25 2.821 -8.045 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.313 -5.913 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.631 -6.391 -0.431 1.00 0.00 H new ATOM 398 N ILE A 26 1.946 -5.155 1.847 1.00 0.00 N ATOM 399 CA ILE A 26 2.009 -4.813 3.264 1.00 0.00 C ATOM 400 C ILE A 26 0.824 -3.942 3.671 1.00 0.00 C ATOM 401 O ILE A 26 0.581 -2.891 3.078 1.00 0.00 O ATOM 402 CB ILE A 26 3.322 -4.079 3.608 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.421 -3.841 5.117 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.412 -2.761 2.851 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.844 -3.726 5.619 1.00 0.00 C ATOM 0 H ILE A 26 2.132 -4.376 1.216 1.00 0.00 H new ATOM 0 HA ILE A 26 1.973 -5.750 3.820 1.00 0.00 H new ATOM 0 HB ILE A 26 4.159 -4.707 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.881 -2.928 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.925 -4.659 5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.344 -2.258 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.386 -2.955 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.570 -2.126 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.837 -3.558 6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.383 -4.647 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.338 -2.890 5.124 1.00 0.00 H new ATOM 417 N VAL A 27 0.089 -4.389 4.684 1.00 0.00 N ATOM 418 CA VAL A 27 -1.071 -3.652 5.169 1.00 0.00 C ATOM 419 C VAL A 27 -0.678 -2.661 6.259 1.00 0.00 C ATOM 420 O VAL A 27 -0.127 -3.044 7.290 1.00 0.00 O ATOM 421 CB VAL A 27 -2.152 -4.603 5.720 1.00 0.00 C ATOM 422 CG1 VAL A 27 -3.415 -3.833 6.071 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.454 -5.709 4.720 1.00 0.00 C ATOM 0 H VAL A 27 0.276 -5.258 5.184 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.477 -3.107 4.317 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.771 -5.064 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.166 -4.522 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.186 -3.084 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.801 -3.340 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.219 -6.369 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.812 -5.270 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.547 -6.281 4.526 1.00 0.00 H new ATOM 433 N TYR A 28 -0.966 -1.385 6.022 1.00 0.00 N ATOM 434 CA TYR A 28 -0.643 -0.337 6.983 1.00 0.00 C ATOM 435 C TYR A 28 -1.913 0.330 7.504 1.00 0.00 C ATOM 436 O TYR A 28 -2.966 0.263 6.868 1.00 0.00 O ATOM 437 CB TYR A 28 0.269 0.710 6.342 1.00 0.00 C ATOM 438 CG TYR A 28 1.743 0.433 6.540 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.340 0.600 7.784 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.537 0.002 5.484 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.686 0.348 7.968 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.884 -0.252 5.661 1.00 0.00 C ATOM 443 CZ TYR A 28 4.453 -0.078 6.904 1.00 0.00 C ATOM 444 OH TYR A 28 5.794 -0.330 7.084 1.00 0.00 O ATOM 0 H TYR A 28 -1.422 -1.052 5.173 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.122 -0.796 7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.057 0.759 5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.033 1.689 6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.742 0.932 8.620 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.094 -0.137 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.135 0.484 8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.487 -0.585 4.830 1.00 0.00 H new ATOM 0 HH TYR A 28 6.176 0.344 7.684 1.00 0.00 H new ATOM 454 N ALA A 29 -1.807 0.971 8.663 1.00 0.00 N ATOM 455 CA ALA A 29 -2.947 1.649 9.268 1.00 0.00 C ATOM 456 C ALA A 29 -2.699 3.150 9.377 1.00 0.00 C ATOM 457 O ALA A 29 -2.000 3.608 10.279 1.00 0.00 O ATOM 458 CB ALA A 29 -3.244 1.060 10.638 1.00 0.00 C ATOM 0 H ALA A 29 -0.943 1.035 9.202 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.813 1.497 8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.097 1.576 11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.474 -0.001 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.374 1.182 11.283 1.00 0.00 H new ATOM 464 N ILE A 30 -3.278 3.909 8.451 1.00 0.00 N ATOM 465 CA ILE A 30 -3.120 5.358 8.444 1.00 0.00 C ATOM 466 C ILE A 30 -3.896 6.000 9.589 1.00 0.00 C ATOM 467 O ILE A 30 -5.123 6.081 9.552 1.00 0.00 O ATOM 468 CB ILE A 30 -3.592 5.969 7.112 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.978 5.213 5.932 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.231 7.445 7.048 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.465 5.201 5.943 1.00 0.00 C ATOM 0 H ILE A 30 -3.860 3.544 7.697 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.056 5.561 8.570 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.677 5.878 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.341 4.185 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.323 5.665 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.571 7.862 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.713 7.973 7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.150 7.559 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.099 4.648 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.093 6.225 5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.112 4.722 6.856 1.00 0.00 H new ATOM 483 N SER A 31 -3.171 6.456 10.606 1.00 0.00 N ATOM 484 CA SER A 31 -3.791 7.091 11.763 1.00 0.00 C ATOM 485 C SER A 31 -3.106 8.418 12.087 1.00 0.00 C ATOM 486 O SER A 31 -2.026 8.709 11.574 1.00 0.00 O ATOM 487 CB SER A 31 -3.730 6.160 12.975 1.00 0.00 C ATOM 488 OG SER A 31 -4.993 5.570 13.229 1.00 0.00 O ATOM 0 H SER A 31 -2.154 6.397 10.652 1.00 0.00 H new ATOM 0 HA SER A 31 -4.835 7.292 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.989 5.380 12.801 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.404 6.720 13.851 1.00 0.00 H new ATOM 0 HG SER A 31 -4.895 4.863 13.900 1.00 0.00 H new ATOM 494 N PRO A 32 -3.729 9.242 12.946 1.00 0.00 N ATOM 495 CA PRO A 32 -3.174 10.542 13.336 1.00 0.00 C ATOM 496 C PRO A 32 -1.920 10.403 14.192 1.00 0.00 C ATOM 497 O PRO A 32 -1.055 11.279 14.191 1.00 0.00 O ATOM 498 CB PRO A 32 -4.303 11.187 14.144 1.00 0.00 C ATOM 499 CG PRO A 32 -5.104 10.041 14.659 1.00 0.00 C ATOM 500 CD PRO A 32 -5.022 8.973 13.604 1.00 0.00 C ATOM 0 HA PRO A 32 -2.865 11.127 12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.909 11.793 14.960 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.909 11.845 13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.707 9.683 15.609 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.138 10.336 14.837 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.051 7.974 14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.852 9.038 12.901 1.00 0.00 H new ATOM 508 N ASP A 33 -1.826 9.295 14.920 1.00 0.00 N ATOM 509 CA ASP A 33 -0.676 9.040 15.780 1.00 0.00 C ATOM 510 C ASP A 33 0.287 8.055 15.124 1.00 0.00 C ATOM 511 O ASP A 33 0.945 7.269 15.804 1.00 0.00 O ATOM 512 CB ASP A 33 -1.136 8.496 17.134 1.00 0.00 C ATOM 513 CG ASP A 33 -0.289 9.013 18.281 1.00 0.00 C ATOM 514 OD1 ASP A 33 -0.273 10.242 18.502 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.358 8.187 18.959 1.00 0.00 O ATOM 0 H ASP A 33 -2.532 8.559 14.932 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.153 9.984 15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.177 8.774 17.300 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.096 7.407 17.118 1.00 0.00 H new ATOM 520 N ARG A 34 0.362 8.105 13.797 1.00 0.00 N ATOM 521 CA ARG A 34 1.244 7.216 13.049 1.00 0.00 C ATOM 522 C ARG A 34 1.909 7.960 11.895 1.00 0.00 C ATOM 523 O ARG A 34 3.121 7.870 11.702 1.00 0.00 O ATOM 524 CB ARG A 34 0.460 6.015 12.516 1.00 0.00 C ATOM 525 CG ARG A 34 0.545 4.789 13.410 1.00 0.00 C ATOM 526 CD ARG A 34 -0.826 4.178 13.654 1.00 0.00 C ATOM 527 NE ARG A 34 -0.779 3.103 14.643 1.00 0.00 N ATOM 528 CZ ARG A 34 -1.777 2.247 14.855 1.00 0.00 C ATOM 529 NH1 ARG A 34 -2.898 2.336 14.151 1.00 0.00 N ATOM 530 NH2 ARG A 34 -1.652 1.299 15.774 1.00 0.00 N ATOM 0 H ARG A 34 -0.176 8.750 13.219 1.00 0.00 H new ATOM 0 HA ARG A 34 2.022 6.860 13.725 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.586 6.297 12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.834 5.758 11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.198 4.047 12.950 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.996 5.064 14.363 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.513 4.953 13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.222 3.790 12.716 1.00 0.00 H new ATOM 0 HE ARG A 34 0.067 3.002 15.203 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.999 3.063 13.443 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.659 1.677 14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.792 1.226 16.318 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.416 0.643 15.937 1.00 0.00 H new ATOM 544 N PHE A 35 1.107 8.692 11.129 1.00 0.00 N ATOM 545 CA PHE A 35 1.617 9.450 9.992 1.00 0.00 C ATOM 546 C PHE A 35 0.893 10.786 9.859 1.00 0.00 C ATOM 547 O PHE A 35 -0.304 10.828 9.571 1.00 0.00 O ATOM 548 CB PHE A 35 1.463 8.643 8.703 1.00 0.00 C ATOM 549 CG PHE A 35 1.989 7.239 8.806 1.00 0.00 C ATOM 550 CD1 PHE A 35 3.351 6.990 8.746 1.00 0.00 C ATOM 551 CD2 PHE A 35 1.121 6.170 8.964 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.838 5.700 8.841 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.603 4.878 9.058 1.00 0.00 C ATOM 554 CZ PHE A 35 2.963 4.643 8.998 1.00 0.00 C ATOM 0 H PHE A 35 0.101 8.776 11.275 1.00 0.00 H new ATOM 0 HA PHE A 35 2.675 9.647 10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.408 8.608 8.430 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.984 9.159 7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.039 7.813 8.624 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.057 6.348 9.014 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.902 5.519 8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.917 4.053 9.178 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.341 3.634 9.074 1.00 0.00 H new ATOM 564 N ARG A 36 1.624 11.875 10.073 1.00 0.00 N ATOM 565 CA ARG A 36 1.050 13.212 9.977 1.00 0.00 C ATOM 566 C ARG A 36 1.252 13.791 8.581 1.00 0.00 C ATOM 567 O ARG A 36 0.427 14.564 8.094 1.00 0.00 O ATOM 568 CB ARG A 36 1.680 14.137 11.021 1.00 0.00 C ATOM 569 CG ARG A 36 0.794 15.311 11.407 1.00 0.00 C ATOM 570 CD ARG A 36 0.465 15.300 12.892 1.00 0.00 C ATOM 571 NE ARG A 36 0.367 16.650 13.441 1.00 0.00 N ATOM 572 CZ ARG A 36 -0.227 16.940 14.596 1.00 0.00 C ATOM 573 NH1 ARG A 36 -0.779 15.978 15.326 1.00 0.00 N ATOM 574 NH2 ARG A 36 -0.271 18.195 15.023 1.00 0.00 N ATOM 0 H ARG A 36 2.615 11.858 10.314 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.020 13.135 10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.912 13.558 11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.625 14.518 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.295 16.245 11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.129 15.276 10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.477 14.775 13.051 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.234 14.745 13.430 1.00 0.00 H new ATOM 0 HE ARG A 36 0.778 17.416 12.907 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.749 15.011 15.002 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.233 16.206 16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.151 18.938 14.466 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.726 18.417 15.908 1.00 0.00 H new ATOM 588 N SER A 37 2.355 13.413 7.943 1.00 0.00 N ATOM 589 CA SER A 37 2.664 13.894 6.601 1.00 0.00 C ATOM 590 C SER A 37 3.034 12.736 5.680 1.00 0.00 C ATOM 591 O SER A 37 3.173 11.597 6.124 1.00 0.00 O ATOM 592 CB SER A 37 3.810 14.907 6.653 1.00 0.00 C ATOM 593 OG SER A 37 3.373 16.146 7.181 1.00 0.00 O ATOM 0 H SER A 37 3.049 12.776 8.333 1.00 0.00 H new ATOM 0 HA SER A 37 1.775 14.381 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.620 14.513 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.212 15.057 5.651 1.00 0.00 H new ATOM 0 HG SER A 37 4.124 16.775 7.205 1.00 0.00 H new ATOM 599 N PHE A 38 3.192 13.037 4.394 1.00 0.00 N ATOM 600 CA PHE A 38 3.545 12.020 3.410 1.00 0.00 C ATOM 601 C PHE A 38 4.998 11.584 3.575 1.00 0.00 C ATOM 602 O PHE A 38 5.345 10.433 3.309 1.00 0.00 O ATOM 603 CB PHE A 38 3.319 12.550 1.993 1.00 0.00 C ATOM 604 CG PHE A 38 3.124 11.467 0.971 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.155 10.493 1.151 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.911 11.422 -0.169 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.974 9.495 0.212 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.735 10.427 -1.110 1.00 0.00 C ATOM 609 CZ PHE A 38 2.765 9.462 -0.920 1.00 0.00 C ATOM 0 H PHE A 38 3.081 13.976 4.010 1.00 0.00 H new ATOM 0 HA PHE A 38 2.903 11.155 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.444 13.201 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.172 13.163 1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.534 10.514 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.671 12.174 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.215 8.742 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.355 10.403 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.625 8.683 -1.655 1.00 0.00 H new ATOM 619 N GLU A 39 5.841 12.511 4.016 1.00 0.00 N ATOM 620 CA GLU A 39 7.257 12.223 4.216 1.00 0.00 C ATOM 621 C GLU A 39 7.449 11.173 5.307 1.00 0.00 C ATOM 622 O GLU A 39 8.392 10.383 5.263 1.00 0.00 O ATOM 623 CB GLU A 39 8.012 13.502 4.584 1.00 0.00 C ATOM 624 CG GLU A 39 8.576 14.240 3.382 1.00 0.00 C ATOM 625 CD GLU A 39 9.243 15.548 3.761 1.00 0.00 C ATOM 626 OE1 GLU A 39 10.036 15.551 4.726 1.00 0.00 O ATOM 627 OE2 GLU A 39 8.973 16.568 3.093 1.00 0.00 O ATOM 0 H GLU A 39 5.569 13.468 4.242 1.00 0.00 H new ATOM 0 HA GLU A 39 7.658 11.829 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.341 14.167 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.828 13.251 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.299 13.601 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.773 14.438 2.672 1.00 0.00 H new ATOM 634 N ALA A 40 6.548 11.171 6.284 1.00 0.00 N ATOM 635 CA ALA A 40 6.618 10.218 7.384 1.00 0.00 C ATOM 636 C ALA A 40 6.158 8.834 6.942 1.00 0.00 C ATOM 637 O ALA A 40 6.637 7.818 7.447 1.00 0.00 O ATOM 638 CB ALA A 40 5.778 10.704 8.556 1.00 0.00 C ATOM 0 H ALA A 40 5.762 11.818 6.336 1.00 0.00 H new ATOM 0 HA ALA A 40 7.658 10.143 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.839 9.983 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.153 11.669 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.740 10.809 8.241 1.00 0.00 H new ATOM 644 N LEU A 41 5.227 8.800 5.993 1.00 0.00 N ATOM 645 CA LEU A 41 4.701 7.540 5.482 1.00 0.00 C ATOM 646 C LEU A 41 5.695 6.881 4.531 1.00 0.00 C ATOM 647 O LEU A 41 5.818 5.657 4.496 1.00 0.00 O ATOM 648 CB LEU A 41 3.370 7.772 4.765 1.00 0.00 C ATOM 649 CG LEU A 41 2.597 6.501 4.409 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.046 5.841 5.663 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.472 6.819 3.434 1.00 0.00 C ATOM 0 H LEU A 41 4.822 9.631 5.563 1.00 0.00 H new ATOM 0 HA LEU A 41 4.539 6.873 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.739 8.398 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.561 8.332 3.849 1.00 0.00 H new ATOM 0 HG LEU A 41 3.283 5.804 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.499 4.939 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.869 5.579 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.374 6.532 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.932 5.904 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.787 7.535 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.890 7.246 2.523 1.00 0.00 H new ATOM 663 N LEU A 42 6.402 7.701 3.760 1.00 0.00 N ATOM 664 CA LEU A 42 7.384 7.198 2.808 1.00 0.00 C ATOM 665 C LEU A 42 8.599 6.623 3.529 1.00 0.00 C ATOM 666 O LEU A 42 9.210 5.660 3.065 1.00 0.00 O ATOM 667 CB LEU A 42 7.822 8.314 1.857 1.00 0.00 C ATOM 668 CG LEU A 42 6.832 8.634 0.736 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.006 10.070 0.264 1.00 0.00 C ATOM 670 CD2 LEU A 42 7.009 7.665 -0.424 1.00 0.00 C ATOM 0 H LEU A 42 6.313 8.717 3.776 1.00 0.00 H new ATOM 0 HA LEU A 42 6.916 6.400 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.994 9.220 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.776 8.036 1.410 1.00 0.00 H new ATOM 0 HG LEU A 42 5.821 8.521 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.293 10.280 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.829 10.751 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.020 10.210 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.297 7.907 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.024 7.746 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.834 6.647 -0.077 1.00 0.00 H new ATOM 682 N ALA A 43 8.944 7.218 4.666 1.00 0.00 N ATOM 683 CA ALA A 43 10.085 6.764 5.451 1.00 0.00 C ATOM 684 C ALA A 43 9.871 5.343 5.962 1.00 0.00 C ATOM 685 O ALA A 43 10.821 4.573 6.103 1.00 0.00 O ATOM 686 CB ALA A 43 10.336 7.711 6.613 1.00 0.00 C ATOM 0 H ALA A 43 8.449 8.016 5.064 1.00 0.00 H new ATOM 0 HA ALA A 43 10.961 6.761 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.191 7.360 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.543 8.710 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.454 7.743 7.253 1.00 0.00 H new ATOM 692 N ASP A 44 8.616 5.001 6.236 1.00 0.00 N ATOM 693 CA ASP A 44 8.276 3.673 6.730 1.00 0.00 C ATOM 694 C ASP A 44 8.211 2.666 5.586 1.00 0.00 C ATOM 695 O ASP A 44 8.507 1.485 5.766 1.00 0.00 O ATOM 696 CB ASP A 44 6.938 3.709 7.473 1.00 0.00 C ATOM 697 CG ASP A 44 6.973 2.917 8.765 1.00 0.00 C ATOM 698 OD1 ASP A 44 7.441 3.466 9.786 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.530 1.749 8.758 1.00 0.00 O ATOM 0 H ASP A 44 7.818 5.626 6.124 1.00 0.00 H new ATOM 0 HA ASP A 44 9.058 3.358 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.675 4.744 7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.156 3.311 6.827 1.00 0.00 H new ATOM 704 N LEU A 45 7.820 3.142 4.409 1.00 0.00 N ATOM 705 CA LEU A 45 7.714 2.284 3.234 1.00 0.00 C ATOM 706 C LEU A 45 9.094 1.862 2.741 1.00 0.00 C ATOM 707 O LEU A 45 9.270 0.758 2.226 1.00 0.00 O ATOM 708 CB LEU A 45 6.959 3.006 2.116 1.00 0.00 C ATOM 709 CG LEU A 45 5.441 3.071 2.296 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.844 4.142 1.397 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.812 1.717 2.008 1.00 0.00 C ATOM 0 H LEU A 45 7.571 4.117 4.243 1.00 0.00 H new ATOM 0 HA LEU A 45 7.161 1.389 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.344 4.023 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.176 2.508 1.171 1.00 0.00 H new ATOM 0 HG LEU A 45 5.227 3.335 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.764 4.175 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.272 5.111 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.067 3.909 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.732 1.782 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.034 1.423 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.218 0.974 2.694 1.00 0.00 H new ATOM 723 N THR A 46 10.071 2.748 2.902 1.00 0.00 N ATOM 724 CA THR A 46 11.437 2.467 2.473 1.00 0.00 C ATOM 725 C THR A 46 12.121 1.500 3.434 1.00 0.00 C ATOM 726 O THR A 46 12.883 0.629 3.017 1.00 0.00 O ATOM 727 CB THR A 46 12.242 3.764 2.378 1.00 0.00 C ATOM 728 OG1 THR A 46 11.554 4.725 1.597 1.00 0.00 O ATOM 729 CG2 THR A 46 13.613 3.573 1.768 1.00 0.00 C ATOM 0 H THR A 46 9.943 3.667 3.326 1.00 0.00 H new ATOM 0 HA THR A 46 11.393 2.002 1.488 1.00 0.00 H new ATOM 0 HB THR A 46 12.364 4.105 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.774 5.052 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.131 4.531 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.187 2.874 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.510 3.176 0.758 1.00 0.00 H new ATOM 737 N ARG A 47 11.845 1.663 4.725 1.00 0.00 N ATOM 738 CA ARG A 47 12.434 0.805 5.746 1.00 0.00 C ATOM 739 C ARG A 47 12.058 -0.656 5.515 1.00 0.00 C ATOM 740 O ARG A 47 12.819 -1.563 5.851 1.00 0.00 O ATOM 741 CB ARG A 47 11.978 1.246 7.137 1.00 0.00 C ATOM 742 CG ARG A 47 12.874 0.747 8.259 1.00 0.00 C ATOM 743 CD ARG A 47 12.553 1.434 9.576 1.00 0.00 C ATOM 744 NE ARG A 47 13.436 2.570 9.832 1.00 0.00 N ATOM 745 CZ ARG A 47 14.711 2.451 10.196 1.00 0.00 C ATOM 746 NH1 ARG A 47 15.254 1.249 10.350 1.00 0.00 N ATOM 747 NH2 ARG A 47 15.444 3.534 10.408 1.00 0.00 N ATOM 0 H ARG A 47 11.218 2.381 5.088 1.00 0.00 H new ATOM 0 HA ARG A 47 13.518 0.897 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.942 2.335 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.963 0.888 7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.753 -0.330 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.917 0.925 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.518 1.775 9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.642 0.715 10.391 1.00 0.00 H new ATOM 0 HE ARG A 47 13.053 3.509 9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.694 0.412 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.231 1.163 10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.032 4.460 10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.421 3.442 10.687 1.00 0.00 H new ATOM 761 N THR A 48 10.880 -0.876 4.939 1.00 0.00 N ATOM 762 CA THR A 48 10.404 -2.226 4.664 1.00 0.00 C ATOM 763 C THR A 48 10.592 -2.581 3.193 1.00 0.00 C ATOM 764 O THR A 48 11.449 -3.392 2.844 1.00 0.00 O ATOM 765 CB THR A 48 8.929 -2.357 5.049 1.00 0.00 C ATOM 766 OG1 THR A 48 8.262 -1.116 4.903 1.00 0.00 O ATOM 767 CG2 THR A 48 8.721 -2.826 6.472 1.00 0.00 C ATOM 0 H THR A 48 10.238 -0.136 4.654 1.00 0.00 H new ATOM 0 HA THR A 48 10.992 -2.921 5.264 1.00 0.00 H new ATOM 0 HB THR A 48 8.519 -3.108 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.320 -1.220 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.653 -2.897 6.679 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.182 -3.805 6.604 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.177 -2.114 7.160 1.00 0.00 H new ATOM 775 N LEU A 49 9.783 -1.968 2.334 1.00 0.00 N ATOM 776 CA LEU A 49 9.859 -2.220 0.899 1.00 0.00 C ATOM 777 C LEU A 49 11.098 -1.567 0.295 1.00 0.00 C ATOM 778 O LEU A 49 11.093 -0.376 -0.020 1.00 0.00 O ATOM 779 CB LEU A 49 8.601 -1.698 0.202 1.00 0.00 C ATOM 780 CG LEU A 49 7.280 -2.141 0.833 1.00 0.00 C ATOM 781 CD1 LEU A 49 6.104 -1.510 0.105 1.00 0.00 C ATOM 782 CD2 LEU A 49 7.167 -3.658 0.820 1.00 0.00 C ATOM 0 H LEU A 49 9.068 -1.294 2.607 1.00 0.00 H new ATOM 0 HA LEU A 49 9.930 -3.297 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.635 -0.609 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.617 -2.026 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 49 7.262 -1.804 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.172 -1.836 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.179 -0.424 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.117 -1.816 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.221 -3.956 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.206 -4.017 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.992 -4.089 1.387 1.00 0.00 H new ATOM 794 N SER A 50 12.158 -2.353 0.135 1.00 0.00 N ATOM 795 CA SER A 50 13.404 -1.852 -0.432 1.00 0.00 C ATOM 796 C SER A 50 14.444 -2.964 -0.526 1.00 0.00 C ATOM 797 O SER A 50 14.778 -3.600 0.474 1.00 0.00 O ATOM 798 CB SER A 50 13.949 -0.700 0.414 1.00 0.00 C ATOM 799 OG SER A 50 15.256 -0.338 0.002 1.00 0.00 O ATOM 0 H SER A 50 12.178 -3.340 0.390 1.00 0.00 H new ATOM 0 HA SER A 50 13.195 -1.487 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.286 0.162 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.963 -0.991 1.464 1.00 0.00 H new ATOM 0 HG SER A 50 15.581 0.401 0.557 1.00 0.00 H new ATOM 805 N ASP A 51 14.952 -3.193 -1.733 1.00 0.00 N ATOM 806 CA ASP A 51 15.955 -4.230 -1.955 1.00 0.00 C ATOM 807 C ASP A 51 16.938 -3.813 -3.047 1.00 0.00 C ATOM 808 O ASP A 51 18.040 -3.347 -2.754 1.00 0.00 O ATOM 809 CB ASP A 51 15.287 -5.560 -2.328 1.00 0.00 C ATOM 810 CG ASP A 51 13.935 -5.377 -2.994 1.00 0.00 C ATOM 811 OD1 ASP A 51 13.019 -4.835 -2.339 1.00 0.00 O ATOM 812 OD2 ASP A 51 13.792 -5.777 -4.168 1.00 0.00 O ATOM 0 H ASP A 51 14.687 -2.676 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 51 16.508 -4.365 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.944 -6.115 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.164 -6.164 -1.429 1.00 0.00 H new ATOM 817 N ASN A 52 16.534 -3.980 -4.303 1.00 0.00 N ATOM 818 CA ASN A 52 17.383 -3.619 -5.433 1.00 0.00 C ATOM 819 C ASN A 52 16.682 -3.915 -6.755 1.00 0.00 C ATOM 820 O ASN A 52 16.436 -3.013 -7.555 1.00 0.00 O ATOM 821 CB ASN A 52 18.711 -4.378 -5.367 1.00 0.00 C ATOM 822 CG ASN A 52 19.879 -3.540 -5.850 1.00 0.00 C ATOM 823 OD1 ASN A 52 20.240 -3.577 -7.027 1.00 0.00 O ATOM 824 ND2 ASN A 52 20.478 -2.780 -4.942 1.00 0.00 N ATOM 0 H ASN A 52 15.625 -4.363 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 52 17.582 -2.549 -5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.895 -4.695 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.641 -5.282 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.271 -2.196 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.146 -2.780 -3.978 1.00 0.00 H new ATOM 831 N VAL A 53 16.365 -5.187 -6.979 1.00 0.00 N ATOM 832 CA VAL A 53 15.693 -5.603 -8.204 1.00 0.00 C ATOM 833 C VAL A 53 14.343 -4.909 -8.352 1.00 0.00 C ATOM 834 O VAL A 53 13.887 -4.650 -9.466 1.00 0.00 O ATOM 835 CB VAL A 53 15.482 -7.128 -8.238 1.00 0.00 C ATOM 836 CG1 VAL A 53 14.919 -7.562 -9.583 1.00 0.00 C ATOM 837 CG2 VAL A 53 16.784 -7.857 -7.937 1.00 0.00 C ATOM 0 H VAL A 53 16.563 -5.947 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 53 16.339 -5.315 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 53 14.759 -7.391 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 53 14.777 -8.643 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.961 -7.070 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.615 -7.285 -10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.613 -8.933 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.532 -7.588 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.140 -7.572 -6.947 1.00 0.00 H new ATOM 847 N ASN A 54 13.708 -4.613 -7.223 1.00 0.00 N ATOM 848 CA ASN A 54 12.409 -3.950 -7.229 1.00 0.00 C ATOM 849 C ASN A 54 12.560 -2.452 -6.990 1.00 0.00 C ATOM 850 O ASN A 54 12.279 -1.641 -7.873 1.00 0.00 O ATOM 851 CB ASN A 54 11.497 -4.559 -6.163 1.00 0.00 C ATOM 852 CG ASN A 54 10.965 -5.920 -6.566 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.131 -6.032 -7.465 1.00 0.00 O ATOM 854 ND2 ASN A 54 11.445 -6.964 -5.900 1.00 0.00 N ATOM 0 H ASN A 54 14.071 -4.821 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 54 11.959 -4.099 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.048 -4.650 -5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.660 -3.886 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.123 -7.905 -6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.135 -6.825 -5.162 1.00 0.00 H new ATOM 861 N LEU A 55 13.003 -2.090 -5.790 1.00 0.00 N ATOM 862 CA LEU A 55 13.190 -0.688 -5.435 1.00 0.00 C ATOM 863 C LEU A 55 14.540 -0.472 -4.752 1.00 0.00 C ATOM 864 O LEU A 55 14.646 -0.564 -3.529 1.00 0.00 O ATOM 865 CB LEU A 55 12.060 -0.219 -4.516 1.00 0.00 C ATOM 866 CG LEU A 55 10.649 -0.562 -4.999 1.00 0.00 C ATOM 867 CD1 LEU A 55 9.710 -0.742 -3.817 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.131 0.521 -5.936 1.00 0.00 C ATOM 0 H LEU A 55 13.239 -2.748 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 55 13.171 -0.101 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.207 -0.660 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.134 0.862 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 55 10.690 -1.502 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.711 -0.985 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.073 -1.551 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.671 0.181 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.126 0.262 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.104 1.475 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.792 0.602 -6.799 1.00 0.00 H new ATOM 880 N PRO A 56 15.592 -0.181 -5.536 1.00 0.00 N ATOM 881 CA PRO A 56 16.938 0.048 -4.999 1.00 0.00 C ATOM 882 C PRO A 56 17.041 1.365 -4.238 1.00 0.00 C ATOM 883 O PRO A 56 17.639 1.428 -3.165 1.00 0.00 O ATOM 884 CB PRO A 56 17.818 0.082 -6.249 1.00 0.00 C ATOM 885 CG PRO A 56 16.905 0.516 -7.343 1.00 0.00 C ATOM 886 CD PRO A 56 15.553 -0.052 -7.006 1.00 0.00 C ATOM 0 HA PRO A 56 17.226 -0.719 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.650 0.776 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.248 -0.898 -6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 56 16.866 1.603 -7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.252 0.150 -8.309 1.00 0.00 H new ATOM 0 HD2 PRO A 56 14.748 0.608 -7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.390 -1.015 -7.490 1.00 0.00 H new ATOM 894 N GLN A 57 16.453 2.416 -4.802 1.00 0.00 N ATOM 895 CA GLN A 57 16.480 3.733 -4.176 1.00 0.00 C ATOM 896 C GLN A 57 15.503 3.798 -3.006 1.00 0.00 C ATOM 897 O GLN A 57 15.789 4.414 -1.979 1.00 0.00 O ATOM 898 CB GLN A 57 16.140 4.816 -5.204 1.00 0.00 C ATOM 899 CG GLN A 57 17.332 5.675 -5.595 1.00 0.00 C ATOM 900 CD GLN A 57 17.983 5.218 -6.886 1.00 0.00 C ATOM 901 OE1 GLN A 57 19.191 4.986 -6.937 1.00 0.00 O ATOM 902 NE2 GLN A 57 17.183 5.085 -7.937 1.00 0.00 N ATOM 0 H GLN A 57 15.953 2.381 -5.690 1.00 0.00 H new ATOM 0 HA GLN A 57 17.486 3.908 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.734 4.343 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.357 5.457 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.009 6.711 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.070 5.653 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.187 5.288 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.564 4.779 -8.832 1.00 0.00 H new ATOM 911 N GLY A 58 14.348 3.160 -3.169 1.00 0.00 N ATOM 912 CA GLY A 58 13.347 3.159 -2.119 1.00 0.00 C ATOM 913 C GLY A 58 11.950 3.416 -2.649 1.00 0.00 C ATOM 914 O GLY A 58 11.578 2.912 -3.708 1.00 0.00 O ATOM 0 H GLY A 58 14.088 2.644 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.366 2.198 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.598 3.921 -1.381 1.00 0.00 H new ATOM 918 N VAL A 59 11.174 4.201 -1.910 1.00 0.00 N ATOM 919 CA VAL A 59 9.810 4.525 -2.310 1.00 0.00 C ATOM 920 C VAL A 59 9.578 6.033 -2.305 1.00 0.00 C ATOM 921 O VAL A 59 9.788 6.699 -1.291 1.00 0.00 O ATOM 922 CB VAL A 59 8.778 3.850 -1.384 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.939 4.341 0.049 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.363 4.097 -1.887 1.00 0.00 C ATOM 0 H VAL A 59 11.467 4.625 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 59 9.678 4.146 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 59 8.958 2.775 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.202 3.853 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.941 4.102 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.790 5.420 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.650 3.613 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.167 5.169 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.257 3.687 -2.891 1.00 0.00 H new ATOM 934 N ARG A 60 9.144 6.565 -3.443 1.00 0.00 N ATOM 935 CA ARG A 60 8.884 7.995 -3.569 1.00 0.00 C ATOM 936 C ARG A 60 7.457 8.246 -4.047 1.00 0.00 C ATOM 937 O ARG A 60 6.699 8.979 -3.413 1.00 0.00 O ATOM 938 CB ARG A 60 9.883 8.633 -4.537 1.00 0.00 C ATOM 939 CG ARG A 60 10.867 9.577 -3.861 1.00 0.00 C ATOM 940 CD ARG A 60 10.924 10.927 -4.561 1.00 0.00 C ATOM 941 NE ARG A 60 12.298 11.361 -4.803 1.00 0.00 N ATOM 942 CZ ARG A 60 12.633 12.307 -5.678 1.00 0.00 C ATOM 943 NH1 ARG A 60 11.698 12.920 -6.393 1.00 0.00 N ATOM 944 NH2 ARG A 60 13.906 12.641 -5.837 1.00 0.00 N ATOM 0 H ARG A 60 8.965 6.028 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 60 9.003 8.451 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.439 7.845 -5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.335 9.181 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.578 9.719 -2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.860 9.127 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.391 10.866 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.410 11.672 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 60 13.044 10.913 -4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.717 12.667 -6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.960 13.644 -7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.628 12.173 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.163 13.366 -6.507 1.00 0.00 H new ATOM 958 N THR A 61 7.099 7.633 -5.171 1.00 0.00 N ATOM 959 CA THR A 61 5.763 7.790 -5.736 1.00 0.00 C ATOM 960 C THR A 61 4.965 6.496 -5.612 1.00 0.00 C ATOM 961 O THR A 61 5.424 5.430 -6.023 1.00 0.00 O ATOM 962 CB THR A 61 5.854 8.207 -7.205 1.00 0.00 C ATOM 963 OG1 THR A 61 6.804 9.245 -7.373 1.00 0.00 O ATOM 964 CG2 THR A 61 4.538 8.695 -7.771 1.00 0.00 C ATOM 0 H THR A 61 7.715 7.023 -5.708 1.00 0.00 H new ATOM 0 HA THR A 61 5.247 8.569 -5.175 1.00 0.00 H new ATOM 0 HB THR A 61 6.152 7.307 -7.743 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.849 9.497 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.673 8.975 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.795 7.901 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.197 9.562 -7.204 1.00 0.00 H new ATOM 972 N ILE A 62 3.767 6.597 -5.044 1.00 0.00 N ATOM 973 CA ILE A 62 2.906 5.435 -4.867 1.00 0.00 C ATOM 974 C ILE A 62 1.684 5.513 -5.776 1.00 0.00 C ATOM 975 O ILE A 62 0.924 6.480 -5.729 1.00 0.00 O ATOM 976 CB ILE A 62 2.435 5.300 -3.406 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.625 5.415 -2.451 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.711 3.977 -3.201 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.225 5.693 -1.018 1.00 0.00 C ATOM 0 H ILE A 62 3.372 7.472 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 62 3.499 4.560 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 62 1.738 6.110 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.200 4.489 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.283 6.212 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.385 3.898 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.843 3.931 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.386 3.153 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.119 5.762 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.676 6.633 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.592 4.884 -0.654 1.00 0.00 H new ATOM 991 N TYR A 63 1.503 4.490 -6.605 1.00 0.00 N ATOM 992 CA TYR A 63 0.373 4.444 -7.526 1.00 0.00 C ATOM 993 C TYR A 63 -0.718 3.514 -7.005 1.00 0.00 C ATOM 994 O TYR A 63 -0.478 2.695 -6.118 1.00 0.00 O ATOM 995 CB TYR A 63 0.836 3.982 -8.909 1.00 0.00 C ATOM 996 CG TYR A 63 1.962 4.814 -9.480 1.00 0.00 C ATOM 997 CD1 TYR A 63 3.275 4.613 -9.072 1.00 0.00 C ATOM 998 CD2 TYR A 63 1.712 5.800 -10.425 1.00 0.00 C ATOM 999 CE1 TYR A 63 4.307 5.372 -9.592 1.00 0.00 C ATOM 1000 CE2 TYR A 63 2.739 6.563 -10.949 1.00 0.00 C ATOM 1001 CZ TYR A 63 4.034 6.345 -10.530 1.00 0.00 C ATOM 1002 OH TYR A 63 5.058 7.103 -11.049 1.00 0.00 O ATOM 0 H TYR A 63 2.124 3.682 -6.658 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.041 5.449 -7.605 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.159 2.943 -8.846 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.011 4.012 -9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.493 3.852 -8.337 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.699 5.974 -10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.322 5.204 -9.265 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.528 7.326 -11.683 1.00 0.00 H new ATOM 0 HH TYR A 63 4.834 7.372 -11.964 1.00 0.00 H new ATOM 1012 N THR A 64 -1.917 3.645 -7.563 1.00 0.00 N ATOM 1013 CA THR A 64 -3.044 2.817 -7.153 1.00 0.00 C ATOM 1014 C THR A 64 -2.885 1.390 -7.667 1.00 0.00 C ATOM 1015 O THR A 64 -1.960 1.091 -8.422 1.00 0.00 O ATOM 1016 CB THR A 64 -4.356 3.413 -7.668 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.158 4.060 -8.913 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.969 4.419 -6.719 1.00 0.00 C ATOM 0 H THR A 64 -2.133 4.316 -8.300 1.00 0.00 H new ATOM 0 HA THR A 64 -3.067 2.792 -6.064 1.00 0.00 H new ATOM 0 HB THR A 64 -5.038 2.569 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.027 4.292 -9.303 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.896 4.803 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.180 3.937 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.273 5.243 -6.563 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.792 0.511 -7.253 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.752 -0.884 -7.671 1.00 0.00 C ATOM 1028 C ILE A 65 -4.096 -1.024 -9.151 1.00 0.00 C ATOM 1029 O ILE A 65 -3.540 -1.871 -9.850 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.722 -1.749 -6.839 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.570 -3.227 -7.205 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.159 -1.288 -7.046 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.730 -4.010 -6.219 1.00 0.00 C ATOM 0 H ILE A 65 -4.564 0.741 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.734 -1.237 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.473 -1.631 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.559 -3.681 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.120 -3.304 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.829 -1.909 -6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.256 -0.248 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.421 -1.377 -8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.665 -5.049 -6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.729 -3.581 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.190 -3.964 -5.232 1.00 0.00 H new ATOM 1045 N ASP A 66 -5.015 -0.187 -9.621 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.434 -0.218 -11.018 1.00 0.00 C ATOM 1047 C ASP A 66 -4.384 0.430 -11.915 1.00 0.00 C ATOM 1048 O ASP A 66 -4.095 -0.063 -13.005 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.776 0.497 -11.185 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.955 -0.411 -10.899 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.936 -1.097 -9.855 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.897 -0.438 -11.719 1.00 0.00 O ATOM 0 H ASP A 66 -5.484 0.521 -9.056 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.546 -1.261 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.812 1.356 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.855 0.881 -12.202 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.816 1.537 -11.448 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.803 2.234 -12.220 1.00 0.00 C ATOM 1059 C GLY A 67 -3.370 3.412 -12.988 1.00 0.00 C ATOM 1060 O GLY A 67 -3.253 3.476 -14.212 1.00 0.00 O ATOM 0 H GLY A 67 -4.039 1.964 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.017 2.584 -11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.339 1.538 -12.919 1.00 0.00 H new ATOM 1064 N LEU A 68 -3.984 4.344 -12.269 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.570 5.526 -12.891 1.00 0.00 C ATOM 1066 C LEU A 68 -4.124 6.797 -12.175 1.00 0.00 C ATOM 1067 O LEU A 68 -3.736 7.776 -12.812 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.098 5.431 -12.878 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.684 4.321 -13.753 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -7.982 3.801 -13.155 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -6.912 4.828 -15.169 1.00 0.00 C ATOM 0 H LEU A 68 -4.089 4.305 -11.255 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.223 5.571 -13.923 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.429 5.276 -11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.509 6.386 -13.205 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.971 3.497 -13.792 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.385 3.012 -13.790 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.790 3.402 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.703 4.616 -13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.329 4.027 -15.779 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.607 5.667 -15.147 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.963 5.153 -15.596 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.180 6.774 -10.847 1.00 0.00 N ATOM 1084 CA LYS A 69 -3.780 7.924 -10.045 1.00 0.00 C ATOM 1085 C LYS A 69 -2.667 7.548 -9.071 1.00 0.00 C ATOM 1086 O LYS A 69 -2.480 6.375 -8.751 1.00 0.00 O ATOM 1087 CB LYS A 69 -4.982 8.479 -9.277 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.037 9.997 -9.248 1.00 0.00 C ATOM 1089 CD LYS A 69 -5.358 10.571 -10.620 1.00 0.00 C ATOM 1090 CE LYS A 69 -4.486 11.773 -10.943 1.00 0.00 C ATOM 1091 NZ LYS A 69 -3.445 11.448 -11.958 1.00 0.00 N ATOM 0 H LYS A 69 -4.499 5.971 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.402 8.693 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.898 8.099 -9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.953 8.105 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.792 10.321 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.081 10.390 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.214 9.802 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.408 10.862 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.111 12.586 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.006 12.128 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.872 12.294 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.832 10.689 -11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.903 11.133 -12.837 1.00 0.00 H new ATOM 1105 N LYS A 70 -1.932 8.553 -8.604 1.00 0.00 N ATOM 1106 CA LYS A 70 -0.838 8.328 -7.667 1.00 0.00 C ATOM 1107 C LYS A 70 -1.061 9.103 -6.373 1.00 0.00 C ATOM 1108 O LYS A 70 -1.472 10.263 -6.396 1.00 0.00 O ATOM 1109 CB LYS A 70 0.494 8.739 -8.298 1.00 0.00 C ATOM 1110 CG LYS A 70 0.450 10.095 -8.983 1.00 0.00 C ATOM 1111 CD LYS A 70 1.827 10.522 -9.463 1.00 0.00 C ATOM 1112 CE LYS A 70 2.116 10.000 -10.861 1.00 0.00 C ATOM 1113 NZ LYS A 70 3.572 9.779 -11.083 1.00 0.00 N ATOM 0 H LYS A 70 -2.075 9.530 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.808 7.264 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.263 8.756 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.790 7.983 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.235 10.054 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.057 10.840 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.894 11.610 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.585 10.153 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.579 9.064 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.740 10.710 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.831 10.102 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.116 10.315 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.787 8.766 -10.990 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.786 8.456 -5.245 1.00 0.00 N ATOM 1128 CA ILE A 71 -0.955 9.086 -3.941 1.00 0.00 C ATOM 1129 C ILE A 71 0.115 10.145 -3.701 1.00 0.00 C ATOM 1130 O ILE A 71 1.311 9.863 -3.776 1.00 0.00 O ATOM 1131 CB ILE A 71 -0.900 8.049 -2.804 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -1.833 6.876 -3.107 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.267 8.697 -1.477 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.285 7.278 -3.243 1.00 0.00 C ATOM 0 H ILE A 71 -0.445 7.495 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.937 9.559 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 71 0.118 7.668 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.510 6.394 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.742 6.136 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.223 7.951 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.564 9.501 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.276 9.104 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.888 6.396 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.625 7.733 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.389 7.995 -4.057 1.00 0.00 H new ATOM 1146 N SER A 72 -0.324 11.367 -3.414 1.00 0.00 N ATOM 1147 CA SER A 72 0.596 12.470 -3.164 1.00 0.00 C ATOM 1148 C SER A 72 0.542 12.907 -1.703 1.00 0.00 C ATOM 1149 O SER A 72 1.546 13.337 -1.136 1.00 0.00 O ATOM 1150 CB SER A 72 0.264 13.654 -4.075 1.00 0.00 C ATOM 1151 OG SER A 72 1.417 14.438 -4.332 1.00 0.00 O ATOM 0 H SER A 72 -1.311 11.618 -3.349 1.00 0.00 H new ATOM 0 HA SER A 72 1.606 12.123 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.149 13.289 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.503 14.272 -3.609 1.00 0.00 H new ATOM 0 HG SER A 72 1.179 15.187 -4.917 1.00 0.00 H new ATOM 1157 N SER A 73 -0.637 12.794 -1.100 1.00 0.00 N ATOM 1158 CA SER A 73 -0.821 13.179 0.294 1.00 0.00 C ATOM 1159 C SER A 73 -1.459 12.048 1.093 1.00 0.00 C ATOM 1160 O SER A 73 -1.717 10.967 0.562 1.00 0.00 O ATOM 1161 CB SER A 73 -1.688 14.436 0.388 1.00 0.00 C ATOM 1162 OG SER A 73 -0.933 15.600 0.101 1.00 0.00 O ATOM 0 H SER A 73 -1.478 12.439 -1.555 1.00 0.00 H new ATOM 0 HA SER A 73 0.161 13.390 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.522 14.359 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.115 14.513 1.388 1.00 0.00 H new ATOM 0 HG SER A 73 -1.511 16.389 0.166 1.00 0.00 H new ATOM 1168 N LEU A 74 -1.712 12.304 2.372 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.321 11.307 3.248 1.00 0.00 C ATOM 1170 C LEU A 74 -3.844 11.326 3.132 1.00 0.00 C ATOM 1171 O LEU A 74 -4.517 10.387 3.559 1.00 0.00 O ATOM 1172 CB LEU A 74 -1.907 11.554 4.699 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.418 11.361 4.987 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.033 12.043 6.292 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.073 9.879 5.036 1.00 0.00 C ATOM 0 H LEU A 74 -1.505 13.194 2.826 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.967 10.325 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.186 12.572 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.476 10.884 5.343 1.00 0.00 H new ATOM 0 HG LEU A 74 0.151 11.821 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.030 11.895 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.244 13.110 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.610 11.613 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.991 9.760 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.652 9.397 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.311 9.418 4.077 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.384 12.397 2.556 1.00 0.00 N ATOM 1188 CA ASP A 75 -5.828 12.528 2.389 1.00 0.00 C ATOM 1189 C ASP A 75 -6.266 12.066 1.002 1.00 0.00 C ATOM 1190 O ASP A 75 -7.285 12.519 0.480 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.257 13.979 2.613 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.629 14.257 4.056 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -7.481 13.524 4.602 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -6.069 15.208 4.640 1.00 0.00 O ATOM 0 H ASP A 75 -3.844 13.185 2.198 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.311 11.892 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.447 14.644 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.108 14.206 1.971 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.491 11.161 0.409 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.803 10.640 -0.917 1.00 0.00 C ATOM 1201 C GLN A 76 -6.166 9.160 -0.849 1.00 0.00 C ATOM 1202 O GLN A 76 -6.986 8.675 -1.629 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.616 10.842 -1.860 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.237 12.302 -2.057 1.00 0.00 C ATOM 1205 CD GLN A 76 -3.879 12.622 -3.495 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -4.493 12.105 -4.428 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -2.882 13.479 -3.680 1.00 0.00 N ATOM 0 H GLN A 76 -4.644 10.775 0.826 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.662 11.189 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.755 10.301 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.854 10.403 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.067 12.935 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.391 12.544 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.401 13.883 -2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.597 13.733 -4.626 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.551 8.447 0.089 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.810 7.021 0.260 1.00 0.00 C ATOM 1218 C LEU A 77 -7.256 6.777 0.677 1.00 0.00 C ATOM 1219 O LEU A 77 -8.005 7.719 0.940 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.860 6.431 1.304 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.374 6.685 1.043 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.639 6.943 2.349 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -2.755 5.508 0.304 1.00 0.00 C ATOM 0 H LEU A 77 -4.870 8.833 0.743 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.639 6.529 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.117 6.841 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.025 5.355 1.357 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.281 7.572 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.584 7.122 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.066 7.817 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.740 6.075 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.698 5.705 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.860 4.605 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.263 5.369 -0.650 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.643 5.507 0.735 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.000 5.138 1.121 1.00 0.00 C ATOM 1237 C VAL A 78 -8.998 3.924 2.043 1.00 0.00 C ATOM 1238 O VAL A 78 -8.053 3.135 2.044 1.00 0.00 O ATOM 1239 CB VAL A 78 -9.871 4.832 -0.111 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.325 4.644 0.295 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.737 5.936 -1.149 1.00 0.00 C ATOM 0 H VAL A 78 -7.036 4.716 0.520 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.421 5.992 1.651 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.520 3.902 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.925 4.429 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.402 3.814 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.691 5.555 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.360 5.701 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.058 6.883 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.696 6.015 -1.464 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.062 3.779 2.826 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.183 2.660 3.752 1.00 0.00 C ATOM 1253 C GLU A 79 -10.316 1.341 2.999 1.00 0.00 C ATOM 1254 O GLU A 79 -11.265 1.142 2.240 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.389 2.859 4.672 1.00 0.00 C ATOM 1256 CG GLU A 79 -11.290 2.089 5.978 1.00 0.00 C ATOM 1257 CD GLU A 79 -12.507 2.284 6.862 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -13.621 1.922 6.427 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -12.347 2.798 7.989 1.00 0.00 O ATOM 0 H GLU A 79 -10.853 4.423 2.837 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.276 2.623 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.496 3.921 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.292 2.551 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.169 1.028 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.398 2.408 6.517 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.359 0.444 3.212 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.389 -0.845 2.546 1.00 0.00 C ATOM 1268 C GLY A 80 -9.111 -0.736 1.060 1.00 0.00 C ATOM 1269 O GLY A 80 -10.022 -0.857 0.239 1.00 0.00 O ATOM 0 H GLY A 80 -8.563 0.587 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.651 -1.504 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.365 -1.306 2.697 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.850 -0.507 0.710 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.453 -0.381 -0.688 1.00 0.00 C ATOM 1275 C GLU A 81 -6.018 -0.851 -0.891 1.00 0.00 C ATOM 1276 O GLU A 81 -5.296 -1.114 0.071 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.599 1.070 -1.152 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.970 1.392 -1.721 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.217 0.721 -3.059 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.524 -0.273 -3.363 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.104 1.191 -3.803 1.00 0.00 O ATOM 0 H GLU A 81 -7.084 -0.405 1.376 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.110 -1.014 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.399 1.733 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.843 1.278 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.737 1.077 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.067 2.472 -1.836 1.00 0.00 H new ATOM 1288 N SER A 82 -5.606 -0.954 -2.151 1.00 0.00 N ATOM 1289 CA SER A 82 -4.256 -1.392 -2.484 1.00 0.00 C ATOM 1290 C SER A 82 -3.565 -0.382 -3.395 1.00 0.00 C ATOM 1291 O SER A 82 -4.196 0.213 -4.268 1.00 0.00 O ATOM 1292 CB SER A 82 -4.293 -2.764 -3.158 1.00 0.00 C ATOM 1293 OG SER A 82 -4.338 -3.804 -2.198 1.00 0.00 O ATOM 0 H SER A 82 -6.190 -0.739 -2.959 1.00 0.00 H new ATOM 0 HA SER A 82 -3.687 -1.467 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.164 -2.829 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.413 -2.886 -3.789 1.00 0.00 H new ATOM 0 HG SER A 82 -4.363 -4.670 -2.655 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.266 -0.194 -3.186 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.491 0.743 -3.989 1.00 0.00 C ATOM 1301 C TYR A 83 -0.092 0.199 -4.265 1.00 0.00 C ATOM 1302 O TYR A 83 0.573 -0.314 -3.364 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.392 2.095 -3.279 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.736 2.718 -2.972 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.497 2.278 -1.896 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.242 3.745 -3.758 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.724 2.845 -1.612 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.469 4.319 -3.479 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.205 3.864 -2.406 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.428 4.431 -2.126 1.00 0.00 O ATOM 0 H TYR A 83 -1.728 -0.678 -2.467 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.004 0.875 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.839 1.968 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.816 2.781 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.123 1.480 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.668 4.101 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.304 2.492 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.848 5.119 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.619 5.136 -2.780 1.00 0.00 H new ATOM 1320 N VAL A 84 0.347 0.315 -5.513 1.00 0.00 N ATOM 1321 CA VAL A 84 1.666 -0.165 -5.906 1.00 0.00 C ATOM 1322 C VAL A 84 2.742 0.869 -5.592 1.00 0.00 C ATOM 1323 O VAL A 84 2.586 2.053 -5.895 1.00 0.00 O ATOM 1324 CB VAL A 84 1.717 -0.502 -7.409 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.030 -1.185 -7.759 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.534 -1.372 -7.801 1.00 0.00 C ATOM 0 H VAL A 84 -0.191 0.737 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 84 1.857 -1.071 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 84 1.657 0.428 -7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.048 -1.415 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.861 -0.522 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.124 -2.108 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.587 -1.600 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.560 -2.300 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.394 -0.841 -7.589 1.00 0.00 H new ATOM 1336 N CYS A 85 3.833 0.415 -4.984 1.00 0.00 N ATOM 1337 CA CYS A 85 4.935 1.302 -4.629 1.00 0.00 C ATOM 1338 C CYS A 85 5.898 1.470 -5.799 1.00 0.00 C ATOM 1339 O CYS A 85 6.164 0.521 -6.538 1.00 0.00 O ATOM 1340 CB CYS A 85 5.684 0.756 -3.412 1.00 0.00 C ATOM 1341 SG CYS A 85 4.771 0.900 -1.858 1.00 0.00 S ATOM 0 H CYS A 85 3.978 -0.561 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 85 4.517 2.278 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.921 -0.294 -3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.632 1.285 -3.315 1.00 0.00 H new ATOM 0 HG CYS A 85 5.205 1.930 -1.194 1.00 0.00 H new ATOM 1347 N GLY A 86 6.416 2.683 -5.964 1.00 0.00 N ATOM 1348 CA GLY A 86 7.344 2.953 -7.047 1.00 0.00 C ATOM 1349 C GLY A 86 8.395 3.976 -6.669 1.00 0.00 C ATOM 1350 O GLY A 86 8.219 4.734 -5.715 1.00 0.00 O ATOM 0 H GLY A 86 6.210 3.484 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.834 2.025 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.790 3.310 -7.915 1.00 0.00 H new ATOM 1354 N SER A 87 9.493 3.999 -7.418 1.00 0.00 N ATOM 1355 CA SER A 87 10.577 4.938 -7.157 1.00 0.00 C ATOM 1356 C SER A 87 10.958 5.698 -8.424 1.00 0.00 C ATOM 1357 O SER A 87 10.755 6.909 -8.517 1.00 0.00 O ATOM 1358 CB SER A 87 11.798 4.199 -6.605 1.00 0.00 C ATOM 1359 OG SER A 87 12.668 5.086 -5.925 1.00 0.00 O ATOM 0 H SER A 87 9.655 3.378 -8.211 1.00 0.00 H new ATOM 0 HA SER A 87 10.229 5.657 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.473 3.411 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.333 3.715 -7.422 1.00 0.00 H new ATOM 0 HG SER A 87 13.439 4.588 -5.581 1.00 0.00 H new ATOM 1365 N ILE A 88 11.511 4.981 -9.395 1.00 0.00 N ATOM 1366 CA ILE A 88 11.921 5.589 -10.657 1.00 0.00 C ATOM 1367 C ILE A 88 11.356 4.824 -11.848 1.00 0.00 C ATOM 1368 O ILE A 88 10.893 5.424 -12.819 1.00 0.00 O ATOM 1369 CB ILE A 88 13.455 5.650 -10.780 1.00 0.00 C ATOM 1370 CG1 ILE A 88 14.066 4.272 -10.519 1.00 0.00 C ATOM 1371 CG2 ILE A 88 14.023 6.680 -9.815 1.00 0.00 C ATOM 1372 CD1 ILE A 88 15.578 4.253 -10.605 1.00 0.00 C ATOM 0 H ILE A 88 11.686 3.978 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 88 11.523 6.604 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 88 13.711 5.952 -11.795 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.762 3.931 -9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.660 3.562 -11.239 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.108 6.711 -9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.609 7.662 -10.045 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.759 6.406 -8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.941 3.244 -10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.890 4.563 -11.602 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.993 4.938 -9.866 1.00 0.00 H new ATOM 1384 N GLU A 89 11.397 3.497 -11.771 1.00 0.00 N ATOM 1385 CA GLU A 89 10.890 2.652 -12.846 1.00 0.00 C ATOM 1386 C GLU A 89 9.418 2.949 -13.126 1.00 0.00 C ATOM 1387 O GLU A 89 8.697 3.431 -12.253 1.00 0.00 O ATOM 1388 CB GLU A 89 11.064 1.174 -12.487 1.00 0.00 C ATOM 1389 CG GLU A 89 10.440 0.795 -11.155 1.00 0.00 C ATOM 1390 CD GLU A 89 11.444 0.791 -10.019 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.627 0.479 -10.273 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.049 1.101 -8.875 1.00 0.00 O ATOM 0 H GLU A 89 11.776 2.984 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 89 11.464 2.871 -13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.621 0.563 -13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.128 0.938 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.637 1.494 -10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.988 -0.193 -11.238 1.00 0.00 H new ATOM 1399 N PRO A 90 8.952 2.664 -14.355 1.00 0.00 N ATOM 1400 CA PRO A 90 7.559 2.904 -14.746 1.00 0.00 C ATOM 1401 C PRO A 90 6.585 1.993 -14.006 1.00 0.00 C ATOM 1402 O PRO A 90 6.993 1.158 -13.198 1.00 0.00 O ATOM 1403 CB PRO A 90 7.547 2.592 -16.245 1.00 0.00 C ATOM 1404 CG PRO A 90 8.698 1.669 -16.452 1.00 0.00 C ATOM 1405 CD PRO A 90 9.745 2.086 -15.456 1.00 0.00 C ATOM 0 HA PRO A 90 7.240 3.919 -14.507 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.608 2.126 -16.544 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.656 3.500 -16.839 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.400 0.632 -16.295 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.078 1.741 -17.471 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.342 1.238 -15.120 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.436 2.814 -15.880 1.00 0.00 H new ATOM 1413 N PHE A 91 5.297 2.160 -14.286 1.00 0.00 N ATOM 1414 CA PHE A 91 4.265 1.353 -13.645 1.00 0.00 C ATOM 1415 C PHE A 91 4.083 0.024 -14.373 1.00 0.00 C ATOM 1416 O PHE A 91 3.977 -0.014 -15.599 1.00 0.00 O ATOM 1417 CB PHE A 91 2.939 2.115 -13.614 1.00 0.00 C ATOM 1418 CG PHE A 91 1.843 1.381 -12.896 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.194 0.316 -13.499 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.460 1.756 -11.618 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.185 -0.361 -12.843 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.451 1.083 -10.955 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.187 0.022 -11.568 1.00 0.00 C ATOM 0 H PHE A 91 4.943 2.846 -14.952 1.00 0.00 H new ATOM 0 HA PHE A 91 4.583 1.147 -12.623 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.095 3.080 -13.132 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.621 2.317 -14.637 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.481 0.011 -14.495 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.956 2.584 -11.134 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.313 -1.189 -13.326 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.162 1.386 -9.960 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.975 -0.507 -11.052 1.00 0.00 H new ATOM 1433 N LYS A 92 4.048 -1.062 -13.609 1.00 0.00 N ATOM 1434 CA LYS A 92 3.880 -2.394 -14.181 1.00 0.00 C ATOM 1435 C LYS A 92 2.544 -3.001 -13.763 1.00 0.00 C ATOM 1436 O LYS A 92 2.228 -3.074 -12.575 1.00 0.00 O ATOM 1437 CB LYS A 92 5.026 -3.308 -13.745 1.00 0.00 C ATOM 1438 CG LYS A 92 6.401 -2.773 -14.109 1.00 0.00 C ATOM 1439 CD LYS A 92 7.451 -3.204 -13.097 1.00 0.00 C ATOM 1440 CE LYS A 92 8.653 -2.272 -13.111 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.208 -2.102 -14.483 1.00 0.00 N ATOM 0 H LYS A 92 4.134 -1.047 -12.593 1.00 0.00 H new ATOM 0 HA LYS A 92 3.893 -2.300 -15.267 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.975 -3.452 -12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.893 -4.288 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.681 -3.130 -15.100 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.368 -1.685 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.012 -3.219 -12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.775 -4.221 -13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.363 -1.299 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.427 -2.667 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.126 -1.617 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.335 -3.035 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.551 -1.535 -15.056 1.00 0.00 H new ATOM 1455 N LYS A 93 1.763 -3.435 -14.746 1.00 0.00 N ATOM 1456 CA LYS A 93 0.461 -4.036 -14.481 1.00 0.00 C ATOM 1457 C LYS A 93 0.588 -5.541 -14.273 1.00 0.00 C ATOM 1458 O LYS A 93 0.855 -6.288 -15.214 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.501 -3.748 -15.634 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.966 -3.798 -15.231 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.852 -4.202 -16.399 1.00 0.00 C ATOM 1462 CE LYS A 93 -3.540 -2.996 -17.020 1.00 0.00 C ATOM 1463 NZ LYS A 93 -2.700 -2.355 -18.069 1.00 0.00 N ATOM 0 H LYS A 93 2.009 -3.382 -15.734 1.00 0.00 H new ATOM 0 HA LYS A 93 0.064 -3.594 -13.567 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.279 -2.763 -16.044 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.327 -4.471 -16.431 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.095 -4.506 -14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.276 -2.821 -14.859 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.251 -4.709 -17.154 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.603 -4.915 -16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.491 -3.305 -17.455 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.767 -2.267 -16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.205 -1.538 -18.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.803 -2.037 -17.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.504 -3.042 -18.825 1.00 0.00 H new ATOM 1477 N LEU A 94 0.393 -5.980 -13.033 1.00 0.00 N ATOM 1478 CA LEU A 94 0.485 -7.397 -12.700 1.00 0.00 C ATOM 1479 C LEU A 94 -0.683 -7.826 -11.818 1.00 0.00 C ATOM 1480 O LEU A 94 -1.369 -6.989 -11.230 1.00 0.00 O ATOM 1481 CB LEU A 94 1.809 -7.691 -11.993 1.00 0.00 C ATOM 1482 CG LEU A 94 3.060 -7.496 -12.852 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.312 -7.552 -11.990 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.119 -8.546 -13.951 1.00 0.00 C ATOM 0 H LEU A 94 0.170 -5.375 -12.243 1.00 0.00 H new ATOM 0 HA LEU A 94 0.443 -7.966 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.885 -7.048 -11.116 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.791 -8.720 -11.634 1.00 0.00 H new ATOM 0 HG LEU A 94 3.009 -6.512 -13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.192 -7.411 -12.617 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.272 -6.763 -11.239 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.370 -8.522 -11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.015 -8.393 -14.553 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.148 -9.540 -13.504 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.237 -8.459 -14.585 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.904 -9.133 -11.730 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.989 -9.672 -10.919 1.00 0.00 C ATOM 1498 C GLU A 95 -1.499 -10.019 -9.517 1.00 0.00 C ATOM 1499 O GLU A 95 -1.136 -11.162 -9.241 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.583 -10.916 -11.585 1.00 0.00 C ATOM 1501 CG GLU A 95 -1.546 -11.960 -11.961 1.00 0.00 C ATOM 1502 CD GLU A 95 -1.155 -11.894 -13.425 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -2.000 -11.481 -14.246 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -0.004 -12.255 -13.749 1.00 0.00 O ATOM 0 H GLU A 95 -0.346 -9.839 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.762 -8.908 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.311 -11.366 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.124 -10.614 -12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.657 -11.822 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.938 -12.952 -11.738 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.492 -9.025 -8.635 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.048 -9.224 -7.262 1.00 0.00 C ATOM 1513 C TYR A 96 -2.150 -9.856 -6.418 1.00 0.00 C ATOM 1514 O TYR A 96 -1.908 -10.802 -5.670 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.618 -7.892 -6.644 1.00 0.00 C ATOM 1516 CG TYR A 96 0.481 -7.194 -7.413 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.809 -7.573 -7.263 1.00 0.00 C ATOM 1518 CD2 TYR A 96 0.190 -6.154 -8.286 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.816 -6.937 -7.964 1.00 0.00 C ATOM 1520 CE2 TYR A 96 1.191 -5.512 -8.991 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.503 -5.907 -8.826 1.00 0.00 C ATOM 1522 OH TYR A 96 3.502 -5.271 -9.524 1.00 0.00 O ATOM 0 H TYR A 96 -1.789 -8.073 -8.848 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.195 -9.902 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.484 -7.232 -6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.280 -8.067 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.059 -8.378 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.836 -5.841 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.843 -7.245 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.948 -4.706 -9.667 1.00 0.00 H new ATOM 0 HH TYR A 96 3.112 -4.570 -10.087 1.00 0.00 H new ATOM 1532 N THR A 97 -3.362 -9.327 -6.546 1.00 0.00 N ATOM 1533 CA THR A 97 -4.505 -9.837 -5.795 1.00 0.00 C ATOM 1534 C THR A 97 -4.724 -11.322 -6.072 1.00 0.00 C ATOM 1535 O THR A 97 -5.257 -12.047 -5.232 1.00 0.00 O ATOM 1536 CB THR A 97 -5.767 -9.049 -6.149 1.00 0.00 C ATOM 1537 OG1 THR A 97 -5.730 -8.622 -7.499 1.00 0.00 O ATOM 1538 CG2 THR A 97 -5.967 -7.823 -5.285 1.00 0.00 C ATOM 0 H THR A 97 -3.579 -8.544 -7.163 1.00 0.00 H new ATOM 0 HA THR A 97 -4.293 -9.713 -4.733 1.00 0.00 H new ATOM 0 HB THR A 97 -6.595 -9.736 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.547 -8.121 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.879 -7.309 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.049 -8.123 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.116 -7.152 -5.403 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.312 -11.769 -7.255 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.466 -13.167 -7.640 1.00 0.00 C ATOM 1548 C LYS A 98 -3.747 -14.086 -6.656 1.00 0.00 C ATOM 1549 O LYS A 98 -4.230 -15.174 -6.343 1.00 0.00 O ATOM 1550 CB LYS A 98 -3.928 -13.391 -9.054 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.000 -13.324 -10.130 1.00 0.00 C ATOM 1552 CD LYS A 98 -5.642 -11.946 -10.198 1.00 0.00 C ATOM 1553 CE LYS A 98 -7.142 -12.016 -9.952 1.00 0.00 C ATOM 1554 NZ LYS A 98 -7.883 -12.469 -11.163 1.00 0.00 N ATOM 0 H LYS A 98 -3.869 -11.183 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.529 -13.408 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.165 -12.643 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.441 -14.365 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.561 -13.569 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.766 -14.073 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.181 -11.292 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.453 -11.503 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.343 -12.699 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.507 -11.034 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.901 -12.503 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.712 -11.804 -11.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.554 -13.417 -11.437 1.00 0.00 H new ATOM 1568 N ASN A 99 -2.592 -13.642 -6.173 1.00 0.00 N ATOM 1569 CA ASN A 99 -1.808 -14.425 -5.224 1.00 0.00 C ATOM 1570 C ASN A 99 -2.039 -13.943 -3.796 1.00 0.00 C ATOM 1571 O ASN A 99 -1.154 -14.041 -2.946 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.320 -14.343 -5.569 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.051 -14.599 -7.039 1.00 0.00 C ATOM 1574 OD1 ASN A 99 0.299 -15.711 -7.434 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.214 -13.567 -7.859 1.00 0.00 N ATOM 0 H ASN A 99 -2.178 -12.744 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.133 -15.463 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.058 -13.357 -5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.229 -15.070 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.048 -13.679 -8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.505 -12.662 -7.489 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.234 -13.420 -3.539 1.00 0.00 N ATOM 1583 CA VAL A 100 -3.582 -12.922 -2.213 1.00 0.00 C ATOM 1584 C VAL A 100 -5.044 -13.212 -1.879 1.00 0.00 C ATOM 1585 O VAL A 100 -5.368 -13.599 -0.758 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.332 -11.406 -2.098 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.554 -10.933 -0.669 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -1.928 -11.060 -2.568 1.00 0.00 C ATOM 0 H VAL A 100 -3.977 -13.330 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.941 -13.444 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.045 -10.890 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.372 -9.860 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.581 -11.145 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.868 -11.455 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.769 -9.985 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.198 -11.586 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.809 -11.360 -3.609 1.00 0.00 H new ATOM 1598 N ASN A 101 -5.920 -13.021 -2.861 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.347 -13.261 -2.674 1.00 0.00 C ATOM 1600 C ASN A 101 -7.936 -12.277 -1.663 1.00 0.00 C ATOM 1601 O ASN A 101 -7.416 -12.131 -0.556 1.00 0.00 O ATOM 1602 CB ASN A 101 -7.592 -14.699 -2.208 1.00 0.00 C ATOM 1603 CG ASN A 101 -7.981 -15.618 -3.350 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -7.284 -15.698 -4.362 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -9.099 -16.316 -3.193 1.00 0.00 N ATOM 0 H ASN A 101 -5.666 -12.700 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.843 -13.111 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.691 -15.081 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.381 -14.705 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -9.412 -16.950 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.645 -16.218 -2.337 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.032 -11.585 -2.028 1.00 0.00 N ATOM 1613 CA PRO A 102 -9.682 -10.615 -1.140 1.00 0.00 C ATOM 1614 C PRO A 102 -10.041 -11.220 0.213 1.00 0.00 C ATOM 1615 O PRO A 102 -11.126 -11.776 0.387 1.00 0.00 O ATOM 1616 CB PRO A 102 -10.951 -10.221 -1.900 1.00 0.00 C ATOM 1617 CG PRO A 102 -10.648 -10.508 -3.329 1.00 0.00 C ATOM 1618 CD PRO A 102 -9.723 -11.693 -3.326 1.00 0.00 C ATOM 0 HA PRO A 102 -9.028 -9.773 -0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.811 -10.795 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.190 -9.168 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.560 -10.726 -3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.180 -9.649 -3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.272 -12.631 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.021 -11.657 -4.159 1.00 0.00 H new ATOM 1626 N ASN A 103 -9.123 -11.111 1.168 1.00 0.00 N ATOM 1627 CA ASN A 103 -9.347 -11.648 2.504 1.00 0.00 C ATOM 1628 C ASN A 103 -8.252 -11.191 3.465 1.00 0.00 C ATOM 1629 O ASN A 103 -7.405 -11.983 3.881 1.00 0.00 O ATOM 1630 CB ASN A 103 -9.399 -13.177 2.456 1.00 0.00 C ATOM 1631 CG ASN A 103 -10.272 -13.760 3.550 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -11.292 -14.392 3.275 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -9.874 -13.552 4.799 1.00 0.00 N ATOM 0 H ASN A 103 -8.219 -10.656 1.041 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.302 -11.270 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.778 -13.495 1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.389 -13.575 2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.421 -13.922 5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.022 -13.022 4.981 1.00 0.00 H new ATOM 1640 N TRP A 104 -8.278 -9.910 3.815 1.00 0.00 N ATOM 1641 CA TRP A 104 -7.290 -9.346 4.728 1.00 0.00 C ATOM 1642 C TRP A 104 -7.945 -8.382 5.713 1.00 0.00 C ATOM 1643 O TRP A 104 -7.697 -8.446 6.916 1.00 0.00 O ATOM 1644 CB TRP A 104 -6.191 -8.623 3.945 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.719 -7.615 2.971 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.361 -7.870 1.794 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.648 -6.189 3.089 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.696 -6.691 1.173 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -7.268 -5.645 1.948 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.121 -5.321 4.048 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -7.374 -4.272 1.742 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -6.228 -3.957 3.842 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.851 -3.445 2.697 1.00 0.00 C ATOM 0 H TRP A 104 -8.973 -9.242 3.480 1.00 0.00 H new ATOM 0 HA TRP A 104 -6.845 -10.167 5.291 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.523 -8.124 4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -5.594 -9.359 3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.575 -8.855 1.407 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -8.184 -6.608 0.281 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.639 -5.707 4.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.852 -3.874 0.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.824 -3.276 4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.920 -2.375 2.566 1.00 0.00 H new ATOM 1664 N SER A 105 -8.782 -7.492 5.193 1.00 0.00 N ATOM 1665 CA SER A 105 -9.475 -6.515 6.027 1.00 0.00 C ATOM 1666 C SER A 105 -10.891 -6.981 6.349 1.00 0.00 C ATOM 1667 O SER A 105 -11.820 -6.177 6.415 1.00 0.00 O ATOM 1668 CB SER A 105 -9.520 -5.156 5.327 1.00 0.00 C ATOM 1669 OG SER A 105 -9.360 -4.098 6.257 1.00 0.00 O ATOM 0 H SER A 105 -8.998 -7.426 4.198 1.00 0.00 H new ATOM 0 HA SER A 105 -8.923 -6.416 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.733 -5.105 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.470 -5.044 4.804 1.00 0.00 H new ATOM 0 HG SER A 105 -9.391 -3.240 5.785 1.00 0.00 H new