USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 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 28 TYR OH : rot 0:sc= 0.377 USER MOD Set 1.2: A 48 THR OG1 : rot -158:sc= 0.804 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0175) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.735 K(o=0.74,f=-7.1!) 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 180:sc= -0.208 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 70:sc= -0.115 USER MOD Single : A 50 SER OG : rot 85:sc= 1.26 USER MOD Single : A 52 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.022) USER MOD Single : A 54 ASN : amide:sc= -0.0531 X(o=-0.053,f=-0.32) USER MOD Single : A 57 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 64 THR OG1 : rot 140:sc= 0.624 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0203) 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 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.129 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.268 USER MOD Single : A 85 CYS SG : rot -140:sc= -1.71 USER MOD Single : A 87 SER OG : rot 77:sc= 0.517 USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= -0.0381 (180deg=-0.267) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 142:sc= 0.683 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -2.01 K(o=-2,f=-5.3!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.13) USER MOD Single : A 105 SER OG : rot -53:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.674 4.445 11.533 1.00 0.00 N ATOM 113 CA ALA A 10 -7.480 4.409 10.697 1.00 0.00 C ATOM 114 C ALA A 10 -7.811 3.923 9.290 1.00 0.00 C ATOM 115 O ALA A 10 -8.779 3.188 9.088 1.00 0.00 O ATOM 116 CB ALA A 10 -6.420 3.521 11.329 1.00 0.00 C ATOM 0 HA ALA A 10 -7.089 5.423 10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.534 3.503 10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.155 3.913 12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.810 2.509 11.436 1.00 0.00 H new ATOM 122 N LYS A 11 -7.002 4.337 8.319 1.00 0.00 N ATOM 123 CA LYS A 11 -7.211 3.943 6.931 1.00 0.00 C ATOM 124 C LYS A 11 -6.402 2.696 6.591 1.00 0.00 C ATOM 125 O LYS A 11 -5.176 2.747 6.490 1.00 0.00 O ATOM 126 CB LYS A 11 -6.827 5.089 5.992 1.00 0.00 C ATOM 127 CG LYS A 11 -7.852 5.349 4.899 1.00 0.00 C ATOM 128 CD LYS A 11 -8.621 6.638 5.149 1.00 0.00 C ATOM 129 CE LYS A 11 -7.762 7.861 4.872 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.585 9.088 4.685 1.00 0.00 N ATOM 0 H LYS A 11 -6.197 4.945 8.468 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.268 3.713 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.694 5.999 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.866 4.863 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.349 5.406 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.549 4.513 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.507 6.663 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.968 6.662 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.068 8.012 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.161 7.688 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.960 9.911 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.181 8.981 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.190 9.231 5.519 1.00 0.00 H new ATOM 144 N LYS A 12 -7.095 1.575 6.417 1.00 0.00 N ATOM 145 CA LYS A 12 -6.439 0.314 6.088 1.00 0.00 C ATOM 146 C LYS A 12 -6.044 0.274 4.616 1.00 0.00 C ATOM 147 O LYS A 12 -6.882 0.053 3.743 1.00 0.00 O ATOM 148 CB LYS A 12 -7.360 -0.864 6.415 1.00 0.00 C ATOM 149 CG LYS A 12 -7.123 -1.456 7.794 1.00 0.00 C ATOM 150 CD LYS A 12 -5.877 -2.325 7.822 1.00 0.00 C ATOM 151 CE LYS A 12 -5.107 -2.155 9.121 1.00 0.00 C ATOM 152 NZ LYS A 12 -5.318 -3.302 10.047 1.00 0.00 N ATOM 0 H LYS A 12 -8.110 1.514 6.498 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.533 0.236 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.397 -0.535 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.220 -1.643 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.023 -0.652 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.988 -2.049 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.159 -3.371 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.234 -2.068 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.044 -2.056 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.419 -1.232 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.776 -3.147 10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.329 -3.381 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.997 -4.180 9.591 1.00 0.00 H new ATOM 166 N VAL A 13 -4.760 0.490 4.348 1.00 0.00 N ATOM 167 CA VAL A 13 -4.250 0.479 2.982 1.00 0.00 C ATOM 168 C VAL A 13 -3.077 -0.484 2.841 1.00 0.00 C ATOM 169 O VAL A 13 -2.166 -0.492 3.668 1.00 0.00 O ATOM 170 CB VAL A 13 -3.802 1.883 2.537 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.994 2.823 2.447 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.751 2.435 3.491 1.00 0.00 C ATOM 0 H VAL A 13 -4.053 0.675 5.060 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.068 0.148 2.343 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.356 1.804 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.656 3.810 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.709 2.435 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.472 2.899 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.446 3.428 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.169 2.499 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.885 1.774 3.500 1.00 0.00 H new ATOM 182 N ARG A 14 -3.107 -1.297 1.790 1.00 0.00 N ATOM 183 CA ARG A 14 -2.045 -2.266 1.543 1.00 0.00 C ATOM 184 C ARG A 14 -1.149 -1.810 0.396 1.00 0.00 C ATOM 185 O ARG A 14 -1.632 -1.461 -0.681 1.00 0.00 O ATOM 186 CB ARG A 14 -2.640 -3.640 1.230 1.00 0.00 C ATOM 187 CG ARG A 14 -1.928 -4.785 1.931 1.00 0.00 C ATOM 188 CD ARG A 14 -2.582 -6.122 1.620 1.00 0.00 C ATOM 189 NE ARG A 14 -2.062 -7.193 2.467 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.673 -8.363 2.642 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.825 -8.616 2.031 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.133 -9.283 3.429 1.00 0.00 N ATOM 0 H ARG A 14 -3.855 -1.304 1.096 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.438 -2.341 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.691 -3.646 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.604 -3.806 0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.883 -4.809 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.937 -4.616 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.660 -6.040 1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.414 -6.373 0.573 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.179 -7.035 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.246 -7.912 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.289 -9.514 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.249 -9.095 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.602 -10.179 3.562 1.00 0.00 H new ATOM 206 N PHE A 15 0.159 -1.817 0.634 1.00 0.00 N ATOM 207 CA PHE A 15 1.122 -1.404 -0.379 1.00 0.00 C ATOM 208 C PHE A 15 1.852 -2.612 -0.959 1.00 0.00 C ATOM 209 O PHE A 15 2.260 -3.513 -0.227 1.00 0.00 O ATOM 210 CB PHE A 15 2.132 -0.422 0.216 1.00 0.00 C ATOM 211 CG PHE A 15 1.521 0.882 0.644 1.00 0.00 C ATOM 212 CD1 PHE A 15 0.986 1.752 -0.293 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.482 1.237 1.982 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.423 2.951 0.098 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.921 2.436 2.379 1.00 0.00 C ATOM 216 CZ PHE A 15 0.391 3.294 1.436 1.00 0.00 C ATOM 0 H PHE A 15 0.576 -2.104 1.520 1.00 0.00 H new ATOM 0 HA PHE A 15 0.576 -0.910 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.615 -0.887 1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.911 -0.224 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.010 1.489 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.895 0.569 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.008 3.620 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.897 2.702 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.048 4.232 1.744 1.00 0.00 H new ATOM 226 N TYR A 16 2.013 -2.623 -2.279 1.00 0.00 N ATOM 227 CA TYR A 16 2.694 -3.719 -2.958 1.00 0.00 C ATOM 228 C TYR A 16 4.007 -3.246 -3.573 1.00 0.00 C ATOM 229 O TYR A 16 4.368 -2.074 -3.466 1.00 0.00 O ATOM 230 CB TYR A 16 1.795 -4.314 -4.043 1.00 0.00 C ATOM 231 CG TYR A 16 0.613 -5.082 -3.499 1.00 0.00 C ATOM 232 CD1 TYR A 16 -0.532 -4.421 -3.071 1.00 0.00 C ATOM 233 CD2 TYR A 16 0.639 -6.469 -3.416 1.00 0.00 C ATOM 234 CE1 TYR A 16 -1.616 -5.121 -2.574 1.00 0.00 C ATOM 235 CE2 TYR A 16 -0.441 -7.175 -2.920 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.565 -6.496 -2.501 1.00 0.00 C ATOM 237 OH TYR A 16 -2.643 -7.197 -2.008 1.00 0.00 O ATOM 0 H TYR A 16 1.681 -1.885 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 16 2.916 -4.488 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.431 -3.510 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.389 -4.977 -4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.576 -3.343 -3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.518 -7.004 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.498 -4.593 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.404 -8.253 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.445 -8.157 -2.025 1.00 0.00 H new ATOM 247 N ARG A 17 4.717 -4.165 -4.219 1.00 0.00 N ATOM 248 CA ARG A 17 5.989 -3.842 -4.854 1.00 0.00 C ATOM 249 C ARG A 17 5.839 -3.781 -6.372 1.00 0.00 C ATOM 250 O ARG A 17 5.286 -4.693 -6.987 1.00 0.00 O ATOM 251 CB ARG A 17 7.050 -4.877 -4.472 1.00 0.00 C ATOM 252 CG ARG A 17 8.364 -4.262 -4.019 1.00 0.00 C ATOM 253 CD ARG A 17 9.112 -5.184 -3.068 1.00 0.00 C ATOM 254 NE ARG A 17 10.556 -5.141 -3.287 1.00 0.00 N ATOM 255 CZ ARG A 17 11.398 -6.079 -2.862 1.00 0.00 C ATOM 256 NH1 ARG A 17 10.946 -7.135 -2.195 1.00 0.00 N ATOM 257 NH2 ARG A 17 12.696 -5.963 -3.104 1.00 0.00 N ATOM 0 H ARG A 17 4.433 -5.140 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 17 6.306 -2.861 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.659 -5.508 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.238 -5.525 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.987 -4.051 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.170 -3.309 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.893 -4.899 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.756 -6.206 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 17 10.941 -4.345 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.948 -7.230 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.597 -7.851 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.049 -5.155 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.342 -6.682 -2.778 1.00 0.00 H new ATOM 271 N ASN A 18 6.334 -2.703 -6.969 1.00 0.00 N ATOM 272 CA ASN A 18 6.254 -2.525 -8.414 1.00 0.00 C ATOM 273 C ASN A 18 7.196 -3.485 -9.133 1.00 0.00 C ATOM 274 O ASN A 18 8.416 -3.354 -9.047 1.00 0.00 O ATOM 275 CB ASN A 18 6.594 -1.081 -8.790 1.00 0.00 C ATOM 276 CG ASN A 18 6.107 -0.716 -10.179 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.230 -1.378 -10.735 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.676 0.340 -10.747 1.00 0.00 N ATOM 0 H ASN A 18 6.795 -1.939 -6.475 1.00 0.00 H new ATOM 0 HA ASN A 18 5.233 -2.744 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.148 -0.404 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.673 -0.939 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.390 0.632 -11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.399 0.859 -10.249 1.00 0.00 H new ATOM 285 N GLY A 19 6.619 -4.449 -9.844 1.00 0.00 N ATOM 286 CA GLY A 19 7.420 -5.416 -10.569 1.00 0.00 C ATOM 287 C GLY A 19 7.440 -6.774 -9.894 1.00 0.00 C ATOM 288 O GLY A 19 7.576 -7.803 -10.558 1.00 0.00 O ATOM 0 H GLY A 19 5.611 -4.577 -9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.029 -5.522 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.440 -5.043 -10.659 1.00 0.00 H new ATOM 292 N ASP A 20 7.305 -6.778 -8.572 1.00 0.00 N ATOM 293 CA ASP A 20 7.308 -8.020 -7.808 1.00 0.00 C ATOM 294 C ASP A 20 5.887 -8.528 -7.587 1.00 0.00 C ATOM 295 O ASP A 20 5.084 -7.882 -6.914 1.00 0.00 O ATOM 296 CB ASP A 20 8.004 -7.812 -6.461 1.00 0.00 C ATOM 297 CG ASP A 20 8.868 -8.993 -6.067 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.996 -9.105 -6.592 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.417 -9.807 -5.234 1.00 0.00 O ATOM 0 H ASP A 20 7.192 -5.936 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 20 7.856 -8.768 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.621 -6.914 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.253 -7.642 -5.690 1.00 0.00 H new ATOM 304 N ARG A 21 5.584 -9.688 -8.160 1.00 0.00 N ATOM 305 CA ARG A 21 4.258 -10.283 -8.026 1.00 0.00 C ATOM 306 C ARG A 21 4.207 -11.237 -6.837 1.00 0.00 C ATOM 307 O ARG A 21 3.162 -11.405 -6.208 1.00 0.00 O ATOM 308 CB ARG A 21 3.877 -11.025 -9.308 1.00 0.00 C ATOM 309 CG ARG A 21 4.874 -12.103 -9.706 1.00 0.00 C ATOM 310 CD ARG A 21 4.199 -13.454 -9.881 1.00 0.00 C ATOM 311 NE ARG A 21 3.734 -13.659 -11.251 1.00 0.00 N ATOM 312 CZ ARG A 21 3.281 -14.822 -11.714 1.00 0.00 C ATOM 313 NH1 ARG A 21 3.231 -15.886 -10.921 1.00 0.00 N ATOM 314 NH2 ARG A 21 2.877 -14.922 -12.973 1.00 0.00 N ATOM 0 H ARG A 21 6.237 -10.235 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 21 3.542 -9.479 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.895 -11.480 -9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.788 -10.305 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.366 -11.819 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.651 -12.180 -8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.898 -14.246 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.354 -13.529 -9.196 1.00 0.00 H new ATOM 0 HE ARG A 21 3.758 -12.864 -11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.541 -15.815 -9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.883 -16.775 -11.281 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.913 -14.108 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.530 -15.813 -13.328 1.00 0.00 H new ATOM 328 N TYR A 22 5.342 -11.860 -6.534 1.00 0.00 N ATOM 329 CA TYR A 22 5.427 -12.798 -5.420 1.00 0.00 C ATOM 330 C TYR A 22 5.064 -12.116 -4.104 1.00 0.00 C ATOM 331 O TYR A 22 4.575 -12.760 -3.176 1.00 0.00 O ATOM 332 CB TYR A 22 6.834 -13.390 -5.331 1.00 0.00 C ATOM 333 CG TYR A 22 7.129 -14.414 -6.403 1.00 0.00 C ATOM 334 CD1 TYR A 22 6.811 -15.754 -6.218 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.727 -14.042 -7.601 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.080 -16.693 -7.195 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.998 -14.975 -8.583 1.00 0.00 C ATOM 338 CZ TYR A 22 7.672 -16.299 -8.376 1.00 0.00 C ATOM 339 OH TYR A 22 7.941 -17.231 -9.352 1.00 0.00 O ATOM 0 H TYR A 22 6.216 -11.732 -7.045 1.00 0.00 H new ATOM 0 HA TYR A 22 4.713 -13.602 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.564 -12.583 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.963 -13.853 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.346 -16.067 -5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.984 -13.006 -7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.828 -17.731 -7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.463 -14.669 -9.509 1.00 0.00 H new ATOM 0 HH TYR A 22 8.358 -16.789 -10.121 1.00 0.00 H new ATOM 349 N PHE A 23 5.309 -10.811 -4.030 1.00 0.00 N ATOM 350 CA PHE A 23 5.009 -10.044 -2.826 1.00 0.00 C ATOM 351 C PHE A 23 3.532 -10.155 -2.460 1.00 0.00 C ATOM 352 O PHE A 23 2.662 -9.687 -3.196 1.00 0.00 O ATOM 353 CB PHE A 23 5.386 -8.575 -3.026 1.00 0.00 C ATOM 354 CG PHE A 23 5.380 -7.774 -1.756 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.354 -7.973 -0.790 1.00 0.00 C ATOM 356 CD2 PHE A 23 4.399 -6.821 -1.527 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.350 -7.237 0.380 1.00 0.00 C ATOM 358 CE2 PHE A 23 4.390 -6.083 -0.359 1.00 0.00 C ATOM 359 CZ PHE A 23 5.368 -6.291 0.595 1.00 0.00 C ATOM 0 H PHE A 23 5.714 -10.263 -4.789 1.00 0.00 H new ATOM 0 HA PHE A 23 5.599 -10.457 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.378 -8.521 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.691 -8.123 -3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.125 -8.712 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.633 -6.654 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.114 -7.402 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.620 -5.345 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.364 -5.714 1.508 1.00 0.00 H new ATOM 369 N LYS A 24 3.256 -10.780 -1.319 1.00 0.00 N ATOM 370 CA LYS A 24 1.885 -10.954 -0.855 1.00 0.00 C ATOM 371 C LYS A 24 1.222 -9.604 -0.599 1.00 0.00 C ATOM 372 O LYS A 24 0.074 -9.382 -0.984 1.00 0.00 O ATOM 373 CB LYS A 24 1.859 -11.800 0.419 1.00 0.00 C ATOM 374 CG LYS A 24 1.617 -13.279 0.163 1.00 0.00 C ATOM 375 CD LYS A 24 2.132 -14.134 1.309 1.00 0.00 C ATOM 376 CE LYS A 24 1.385 -15.455 1.396 1.00 0.00 C ATOM 377 NZ LYS A 24 1.849 -16.280 2.547 1.00 0.00 N ATOM 0 H LYS A 24 3.964 -11.174 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 24 1.326 -11.470 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.807 -11.681 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.079 -11.422 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.550 -13.456 0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.110 -13.575 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.196 -14.325 1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.023 -13.591 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.317 -15.262 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.524 -16.013 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.316 -17.172 2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.863 -16.486 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.693 -15.759 3.433 1.00 0.00 H new ATOM 391 N GLY A 25 1.952 -8.708 0.056 1.00 0.00 N ATOM 392 CA GLY A 25 1.419 -7.391 0.355 1.00 0.00 C ATOM 393 C GLY A 25 1.527 -7.043 1.826 1.00 0.00 C ATOM 394 O GLY A 25 1.371 -7.906 2.689 1.00 0.00 O ATOM 0 H GLY A 25 2.904 -8.870 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.953 -6.644 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.373 -7.348 0.050 1.00 0.00 H new ATOM 398 N ILE A 26 1.795 -5.773 2.113 1.00 0.00 N ATOM 399 CA ILE A 26 1.924 -5.311 3.491 1.00 0.00 C ATOM 400 C ILE A 26 0.819 -4.320 3.843 1.00 0.00 C ATOM 401 O ILE A 26 0.654 -3.297 3.176 1.00 0.00 O ATOM 402 CB ILE A 26 3.297 -4.652 3.735 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.452 -4.268 5.208 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.468 -3.431 2.842 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.892 -4.105 5.642 1.00 0.00 C ATOM 0 H ILE A 26 1.927 -5.046 1.410 1.00 0.00 H new ATOM 0 HA ILE A 26 1.835 -6.188 4.132 1.00 0.00 H new ATOM 0 HB ILE A 26 4.076 -5.372 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.918 -3.335 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.979 -5.031 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.442 -2.978 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.401 -3.732 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.684 -2.707 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.925 -3.833 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.426 -5.044 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.364 -3.321 5.050 1.00 0.00 H new ATOM 417 N VAL A 27 0.066 -4.627 4.894 1.00 0.00 N ATOM 418 CA VAL A 27 -1.023 -3.763 5.334 1.00 0.00 C ATOM 419 C VAL A 27 -0.505 -2.644 6.232 1.00 0.00 C ATOM 420 O VAL A 27 0.540 -2.779 6.870 1.00 0.00 O ATOM 421 CB VAL A 27 -2.102 -4.559 6.093 1.00 0.00 C ATOM 422 CG1 VAL A 27 -3.299 -3.674 6.405 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.528 -5.781 5.294 1.00 0.00 C ATOM 0 H VAL A 27 0.190 -5.468 5.457 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.467 -3.331 4.437 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.676 -4.901 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.050 -4.254 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.980 -2.835 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.726 -3.298 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.290 -6.330 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.934 -5.464 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.665 -6.426 5.128 1.00 0.00 H new ATOM 433 N TYR A 28 -1.243 -1.540 6.277 1.00 0.00 N ATOM 434 CA TYR A 28 -0.860 -0.396 7.097 1.00 0.00 C ATOM 435 C TYR A 28 -2.075 0.205 7.796 1.00 0.00 C ATOM 436 O TYR A 28 -3.214 -0.161 7.506 1.00 0.00 O ATOM 437 CB TYR A 28 -0.173 0.667 6.237 1.00 0.00 C ATOM 438 CG TYR A 28 1.331 0.524 6.181 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.136 1.042 7.188 1.00 0.00 C ATOM 440 CD2 TYR A 28 1.946 -0.129 5.119 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.510 0.913 7.140 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.321 -0.261 5.065 1.00 0.00 C ATOM 443 CZ TYR A 28 4.098 0.261 6.077 1.00 0.00 C ATOM 444 OH TYR A 28 5.467 0.131 6.025 1.00 0.00 O ATOM 0 H TYR A 28 -2.110 -1.413 5.755 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.162 -0.744 7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.572 0.616 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.421 1.654 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.680 1.554 8.022 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.341 -0.539 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.121 1.321 7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.785 -0.771 4.233 1.00 0.00 H new ATOM 0 HH TYR A 28 5.866 0.555 6.813 1.00 0.00 H new ATOM 454 N ALA A 29 -1.824 1.129 8.717 1.00 0.00 N ATOM 455 CA ALA A 29 -2.897 1.782 9.456 1.00 0.00 C ATOM 456 C ALA A 29 -2.692 3.291 9.502 1.00 0.00 C ATOM 457 O ALA A 29 -2.067 3.816 10.423 1.00 0.00 O ATOM 458 CB ALA A 29 -2.986 1.216 10.866 1.00 0.00 C ATOM 0 H ALA A 29 -0.887 1.442 8.969 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.835 1.585 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.791 1.712 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.188 0.146 10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.043 1.384 11.386 1.00 0.00 H new ATOM 464 N ILE A 30 -3.223 3.986 8.501 1.00 0.00 N ATOM 465 CA ILE A 30 -3.098 5.437 8.426 1.00 0.00 C ATOM 466 C ILE A 30 -3.884 6.113 9.544 1.00 0.00 C ATOM 467 O ILE A 30 -5.075 5.860 9.721 1.00 0.00 O ATOM 468 CB ILE A 30 -3.590 5.975 7.069 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.948 5.195 5.921 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.280 7.460 6.945 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.436 5.227 5.939 1.00 0.00 C ATOM 0 H ILE A 30 -3.744 3.567 7.730 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.039 5.670 8.537 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.670 5.842 7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.282 4.158 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.301 5.603 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.633 7.826 5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.781 8.004 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.204 7.614 7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.050 4.653 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.093 6.259 5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.074 4.792 6.870 1.00 0.00 H new ATOM 483 N SER A 31 -3.209 6.977 10.296 1.00 0.00 N ATOM 484 CA SER A 31 -3.844 7.691 11.397 1.00 0.00 C ATOM 485 C SER A 31 -3.017 8.909 11.803 1.00 0.00 C ATOM 486 O SER A 31 -1.842 9.018 11.451 1.00 0.00 O ATOM 487 CB SER A 31 -4.030 6.760 12.597 1.00 0.00 C ATOM 488 OG SER A 31 -5.380 6.746 13.028 1.00 0.00 O ATOM 0 H SER A 31 -2.222 7.199 10.163 1.00 0.00 H new ATOM 0 HA SER A 31 -4.822 8.035 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.720 5.750 12.329 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.387 7.084 13.415 1.00 0.00 H new ATOM 0 HG SER A 31 -5.472 6.142 13.795 1.00 0.00 H new ATOM 494 N PRO A 32 -3.622 9.846 12.555 1.00 0.00 N ATOM 495 CA PRO A 32 -2.935 11.060 13.007 1.00 0.00 C ATOM 496 C PRO A 32 -1.619 10.751 13.712 1.00 0.00 C ATOM 497 O PRO A 32 -0.596 11.382 13.444 1.00 0.00 O ATOM 498 CB PRO A 32 -3.931 11.689 13.986 1.00 0.00 C ATOM 499 CG PRO A 32 -5.260 11.180 13.552 1.00 0.00 C ATOM 500 CD PRO A 32 -5.021 9.794 13.020 1.00 0.00 C ATOM 0 HA PRO A 32 -2.667 11.711 12.175 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.712 11.399 15.014 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.892 12.778 13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.962 11.162 14.386 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.692 11.823 12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.161 9.037 13.792 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.706 9.551 12.208 1.00 0.00 H new ATOM 508 N ASP A 33 -1.651 9.777 14.615 1.00 0.00 N ATOM 509 CA ASP A 33 -0.460 9.383 15.360 1.00 0.00 C ATOM 510 C ASP A 33 0.440 8.489 14.514 1.00 0.00 C ATOM 511 O ASP A 33 1.661 8.643 14.515 1.00 0.00 O ATOM 512 CB ASP A 33 -0.855 8.658 16.647 1.00 0.00 C ATOM 513 CG ASP A 33 -0.995 9.603 17.824 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.045 10.041 18.362 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.144 9.905 18.210 1.00 0.00 O ATOM 0 H ASP A 33 -2.489 9.245 14.849 1.00 0.00 H new ATOM 0 HA ASP A 33 0.094 10.286 15.616 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.798 8.135 16.491 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.105 7.902 16.879 1.00 0.00 H new ATOM 520 N ARG A 34 -0.171 7.554 13.794 1.00 0.00 N ATOM 521 CA ARG A 34 0.575 6.634 12.944 1.00 0.00 C ATOM 522 C ARG A 34 1.365 7.394 11.883 1.00 0.00 C ATOM 523 O ARG A 34 2.542 7.116 11.651 1.00 0.00 O ATOM 524 CB ARG A 34 -0.376 5.637 12.278 1.00 0.00 C ATOM 525 CG ARG A 34 -0.165 4.201 12.733 1.00 0.00 C ATOM 526 CD ARG A 34 -1.278 3.736 13.658 1.00 0.00 C ATOM 527 NE ARG A 34 -0.891 3.813 15.064 1.00 0.00 N ATOM 528 CZ ARG A 34 -0.124 2.909 15.672 1.00 0.00 C ATOM 529 NH1 ARG A 34 0.339 1.862 15.000 1.00 0.00 N ATOM 530 NH2 ARG A 34 0.180 3.053 16.955 1.00 0.00 N ATOM 0 H ARG A 34 -1.181 7.414 13.782 1.00 0.00 H new ATOM 0 HA ARG A 34 1.279 6.087 13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.404 5.930 12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.247 5.690 11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.118 3.547 11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.793 4.119 13.246 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.165 4.347 13.493 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.548 2.709 13.412 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.227 4.605 15.612 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.108 1.747 14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.926 1.173 15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.173 3.856 17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.767 2.361 17.421 1.00 0.00 H new ATOM 544 N PHE A 35 0.709 8.355 11.239 1.00 0.00 N ATOM 545 CA PHE A 35 1.349 9.155 10.202 1.00 0.00 C ATOM 546 C PHE A 35 0.697 10.529 10.094 1.00 0.00 C ATOM 547 O PHE A 35 -0.514 10.639 9.894 1.00 0.00 O ATOM 548 CB PHE A 35 1.276 8.434 8.855 1.00 0.00 C ATOM 549 CG PHE A 35 1.883 7.060 8.876 1.00 0.00 C ATOM 550 CD1 PHE A 35 3.245 6.887 8.680 1.00 0.00 C ATOM 551 CD2 PHE A 35 1.093 5.942 9.092 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.806 5.624 8.700 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.650 4.678 9.112 1.00 0.00 C ATOM 554 CZ PHE A 35 3.008 4.518 8.916 1.00 0.00 C ATOM 0 H PHE A 35 -0.265 8.598 11.418 1.00 0.00 H new ATOM 0 HA PHE A 35 2.395 9.291 10.477 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.233 8.357 8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.785 9.036 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.874 7.748 8.510 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.031 6.060 9.246 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.868 5.502 8.547 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.024 3.815 9.281 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.445 3.530 8.932 1.00 0.00 H new ATOM 564 N ARG A 36 1.506 11.575 10.225 1.00 0.00 N ATOM 565 CA ARG A 36 1.007 12.942 10.142 1.00 0.00 C ATOM 566 C ARG A 36 1.151 13.489 8.725 1.00 0.00 C ATOM 567 O ARG A 36 0.298 14.236 8.248 1.00 0.00 O ATOM 568 CB ARG A 36 1.756 13.842 11.126 1.00 0.00 C ATOM 569 CG ARG A 36 1.435 13.549 12.584 1.00 0.00 C ATOM 570 CD ARG A 36 2.518 14.076 13.513 1.00 0.00 C ATOM 571 NE ARG A 36 3.224 12.995 14.197 1.00 0.00 N ATOM 572 CZ ARG A 36 3.989 13.173 15.272 1.00 0.00 C ATOM 573 NH1 ARG A 36 4.148 14.385 15.789 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.595 12.135 15.833 1.00 0.00 N ATOM 0 H ARG A 36 2.510 11.502 10.389 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.051 12.932 10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.828 13.726 10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.513 14.883 10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.479 14.003 12.845 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.326 12.474 12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.231 14.669 12.940 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.070 14.741 14.251 1.00 0.00 H new ATOM 0 HE ARG A 36 3.125 12.049 13.829 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.683 15.186 15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.735 14.515 16.613 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.475 11.201 15.441 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.181 12.271 16.657 1.00 0.00 H new ATOM 588 N SER A 37 2.236 13.109 8.058 1.00 0.00 N ATOM 589 CA SER A 37 2.491 13.560 6.695 1.00 0.00 C ATOM 590 C SER A 37 2.960 12.404 5.817 1.00 0.00 C ATOM 591 O SER A 37 2.939 11.246 6.235 1.00 0.00 O ATOM 592 CB SER A 37 3.539 14.675 6.691 1.00 0.00 C ATOM 593 OG SER A 37 3.403 15.505 7.831 1.00 0.00 O ATOM 0 H SER A 37 2.952 12.490 8.439 1.00 0.00 H new ATOM 0 HA SER A 37 1.557 13.947 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.538 14.240 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.434 15.274 5.786 1.00 0.00 H new ATOM 0 HG SER A 37 4.085 16.209 7.806 1.00 0.00 H new ATOM 599 N PHE A 38 3.382 12.726 4.599 1.00 0.00 N ATOM 600 CA PHE A 38 3.856 11.714 3.661 1.00 0.00 C ATOM 601 C PHE A 38 5.307 11.342 3.950 1.00 0.00 C ATOM 602 O PHE A 38 5.728 10.210 3.710 1.00 0.00 O ATOM 603 CB PHE A 38 3.719 12.218 2.223 1.00 0.00 C ATOM 604 CG PHE A 38 2.991 11.263 1.320 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.606 11.227 1.300 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.692 10.401 0.492 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.933 10.351 0.470 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.025 9.521 -0.339 1.00 0.00 C ATOM 609 CZ PHE A 38 1.644 9.497 -0.351 1.00 0.00 C ATOM 0 H PHE A 38 3.406 13.680 4.238 1.00 0.00 H new ATOM 0 HA PHE A 38 3.242 10.822 3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.192 13.172 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.713 12.405 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.046 11.892 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.772 10.417 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.147 10.334 0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.583 8.853 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.121 8.812 -1.001 1.00 0.00 H new ATOM 619 N GLU A 39 6.069 12.302 4.466 1.00 0.00 N ATOM 620 CA GLU A 39 7.474 12.074 4.786 1.00 0.00 C ATOM 621 C GLU A 39 7.622 10.966 5.823 1.00 0.00 C ATOM 622 O GLU A 39 8.596 10.212 5.805 1.00 0.00 O ATOM 623 CB GLU A 39 8.116 13.363 5.304 1.00 0.00 C ATOM 624 CG GLU A 39 8.318 14.417 4.228 1.00 0.00 C ATOM 625 CD GLU A 39 9.302 15.492 4.644 1.00 0.00 C ATOM 626 OE1 GLU A 39 8.892 16.426 5.365 1.00 0.00 O ATOM 627 OE2 GLU A 39 10.484 15.401 4.249 1.00 0.00 O ATOM 0 H GLU A 39 5.737 13.244 4.671 1.00 0.00 H new ATOM 0 HA GLU A 39 7.984 11.764 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.491 13.778 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.080 13.124 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.674 13.937 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.359 14.879 3.992 1.00 0.00 H new ATOM 634 N ALA A 40 6.652 10.874 6.727 1.00 0.00 N ATOM 635 CA ALA A 40 6.676 9.857 7.772 1.00 0.00 C ATOM 636 C ALA A 40 6.266 8.494 7.224 1.00 0.00 C ATOM 637 O ALA A 40 6.746 7.459 7.685 1.00 0.00 O ATOM 638 CB ALA A 40 5.765 10.262 8.921 1.00 0.00 C ATOM 0 H ALA A 40 5.840 11.491 6.757 1.00 0.00 H new ATOM 0 HA ALA A 40 7.698 9.776 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.792 9.494 9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.105 11.210 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.744 10.372 8.555 1.00 0.00 H new ATOM 644 N LEU A 41 5.375 8.503 6.238 1.00 0.00 N ATOM 645 CA LEU A 41 4.900 7.267 5.627 1.00 0.00 C ATOM 646 C LEU A 41 5.884 6.765 4.575 1.00 0.00 C ATOM 647 O LEU A 41 6.013 5.561 4.356 1.00 0.00 O ATOM 648 CB LEU A 41 3.525 7.483 4.993 1.00 0.00 C ATOM 649 CG LEU A 41 2.843 6.215 4.476 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.455 5.308 5.633 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.622 6.570 3.642 1.00 0.00 C ATOM 0 H LEU A 41 4.968 9.352 5.845 1.00 0.00 H new ATOM 0 HA LEU A 41 4.818 6.513 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.873 7.954 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.630 8.184 4.165 1.00 0.00 H new ATOM 0 HG LEU A 41 3.549 5.678 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.971 4.411 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.349 5.027 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.767 5.835 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.149 5.656 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.914 7.129 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.927 7.180 2.792 1.00 0.00 H new ATOM 663 N LEU A 42 6.575 7.696 3.926 1.00 0.00 N ATOM 664 CA LEU A 42 7.547 7.348 2.897 1.00 0.00 C ATOM 665 C LEU A 42 8.777 6.686 3.509 1.00 0.00 C ATOM 666 O LEU A 42 9.284 5.692 2.987 1.00 0.00 O ATOM 667 CB LEU A 42 7.962 8.597 2.114 1.00 0.00 C ATOM 668 CG LEU A 42 6.905 9.136 1.149 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.260 10.546 0.703 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.762 8.214 -0.053 1.00 0.00 C ATOM 0 H LEU A 42 6.480 8.697 4.095 1.00 0.00 H new ATOM 0 HA LEU A 42 7.077 6.639 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.219 9.383 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.866 8.369 1.549 1.00 0.00 H new ATOM 0 HG LEU A 42 5.948 9.172 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.497 10.914 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.311 11.201 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.226 10.536 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.006 8.613 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.716 8.146 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.461 7.222 0.283 1.00 0.00 H new ATOM 682 N ALA A 43 9.252 7.242 4.618 1.00 0.00 N ATOM 683 CA ALA A 43 10.424 6.706 5.301 1.00 0.00 C ATOM 684 C ALA A 43 10.177 5.280 5.780 1.00 0.00 C ATOM 685 O ALA A 43 10.942 4.368 5.468 1.00 0.00 O ATOM 686 CB ALA A 43 10.806 7.599 6.472 1.00 0.00 C ATOM 0 H ALA A 43 8.844 8.064 5.063 1.00 0.00 H new ATOM 0 HA ALA A 43 11.250 6.684 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.682 7.187 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.034 8.600 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.976 7.650 7.177 1.00 0.00 H new ATOM 692 N ASP A 44 9.103 5.094 6.541 1.00 0.00 N ATOM 693 CA ASP A 44 8.756 3.778 7.064 1.00 0.00 C ATOM 694 C ASP A 44 8.509 2.787 5.931 1.00 0.00 C ATOM 695 O ASP A 44 8.757 1.590 6.075 1.00 0.00 O ATOM 696 CB ASP A 44 7.516 3.871 7.954 1.00 0.00 C ATOM 697 CG ASP A 44 7.865 4.118 9.409 1.00 0.00 C ATOM 698 OD1 ASP A 44 8.396 3.192 10.058 1.00 0.00 O ATOM 699 OD2 ASP A 44 7.609 5.238 9.899 1.00 0.00 O ATOM 0 H ASP A 44 8.459 5.838 6.809 1.00 0.00 H new ATOM 0 HA ASP A 44 9.596 3.419 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.875 4.676 7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.944 2.947 7.872 1.00 0.00 H new ATOM 704 N LEU A 45 8.020 3.294 4.804 1.00 0.00 N ATOM 705 CA LEU A 45 7.740 2.453 3.646 1.00 0.00 C ATOM 706 C LEU A 45 9.032 1.975 2.994 1.00 0.00 C ATOM 707 O LEU A 45 9.085 0.885 2.422 1.00 0.00 O ATOM 708 CB LEU A 45 6.893 3.218 2.628 1.00 0.00 C ATOM 709 CG LEU A 45 5.381 3.108 2.829 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.649 4.083 1.920 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.913 1.683 2.572 1.00 0.00 C ATOM 0 H LEU A 45 7.810 4.283 4.668 1.00 0.00 H new ATOM 0 HA LEU A 45 7.184 1.580 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.173 4.271 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.138 2.856 1.629 1.00 0.00 H new ATOM 0 HG LEU A 45 5.151 3.365 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.574 3.990 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.963 5.101 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.884 3.858 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.835 1.622 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.156 1.399 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.413 1.005 3.264 1.00 0.00 H new ATOM 723 N THR A 46 10.074 2.795 3.082 1.00 0.00 N ATOM 724 CA THR A 46 11.367 2.456 2.499 1.00 0.00 C ATOM 725 C THR A 46 12.088 1.410 3.343 1.00 0.00 C ATOM 726 O THR A 46 12.788 0.546 2.815 1.00 0.00 O ATOM 727 CB THR A 46 12.235 3.708 2.367 1.00 0.00 C ATOM 728 OG1 THR A 46 11.511 4.759 1.752 1.00 0.00 O ATOM 729 CG2 THR A 46 13.493 3.482 1.556 1.00 0.00 C ATOM 0 H THR A 46 10.048 3.700 3.552 1.00 0.00 H new ATOM 0 HA THR A 46 11.191 2.038 1.508 1.00 0.00 H new ATOM 0 HB THR A 46 12.521 3.969 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.823 5.087 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.062 4.410 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.099 2.711 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.224 3.162 0.549 1.00 0.00 H new ATOM 737 N ARG A 47 11.915 1.496 4.657 1.00 0.00 N ATOM 738 CA ARG A 47 12.552 0.557 5.575 1.00 0.00 C ATOM 739 C ARG A 47 11.885 -0.814 5.508 1.00 0.00 C ATOM 740 O ARG A 47 12.516 -1.834 5.778 1.00 0.00 O ATOM 741 CB ARG A 47 12.496 1.094 7.007 1.00 0.00 C ATOM 742 CG ARG A 47 13.651 0.625 7.877 1.00 0.00 C ATOM 743 CD ARG A 47 14.133 1.726 8.808 1.00 0.00 C ATOM 744 NE ARG A 47 15.587 1.725 8.952 1.00 0.00 N ATOM 745 CZ ARG A 47 16.250 2.533 9.774 1.00 0.00 C ATOM 746 NH1 ARG A 47 15.596 3.408 10.527 1.00 0.00 N ATOM 747 NH2 ARG A 47 17.573 2.468 9.845 1.00 0.00 N ATOM 0 H ARG A 47 11.340 2.205 5.111 1.00 0.00 H new ATOM 0 HA ARG A 47 13.594 0.447 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.493 2.184 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.557 0.785 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.338 -0.238 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.475 0.297 7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.808 2.693 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.672 1.600 9.788 1.00 0.00 H new ATOM 0 HE ARG A 47 16.125 1.066 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.579 3.464 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.110 4.025 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.082 1.798 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.081 3.088 10.476 1.00 0.00 H new ATOM 761 N THR A 48 10.605 -0.830 5.149 1.00 0.00 N ATOM 762 CA THR A 48 9.856 -2.077 5.050 1.00 0.00 C ATOM 763 C THR A 48 9.931 -2.653 3.639 1.00 0.00 C ATOM 764 O THR A 48 10.608 -3.653 3.401 1.00 0.00 O ATOM 765 CB THR A 48 8.395 -1.851 5.442 1.00 0.00 C ATOM 766 OG1 THR A 48 7.784 -0.907 4.581 1.00 0.00 O ATOM 767 CG2 THR A 48 8.226 -1.353 6.862 1.00 0.00 C ATOM 0 H THR A 48 10.066 0.006 4.922 1.00 0.00 H new ATOM 0 HA THR A 48 10.305 -2.793 5.738 1.00 0.00 H new ATOM 0 HB THR A 48 7.920 -2.828 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.004 -0.515 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.166 -1.214 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.642 -2.083 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.748 -0.403 6.979 1.00 0.00 H new ATOM 775 N LEU A 49 9.230 -2.015 2.707 1.00 0.00 N ATOM 776 CA LEU A 49 9.214 -2.465 1.319 1.00 0.00 C ATOM 777 C LEU A 49 10.625 -2.494 0.736 1.00 0.00 C ATOM 778 O LEU A 49 11.208 -3.563 0.552 1.00 0.00 O ATOM 779 CB LEU A 49 8.321 -1.552 0.476 1.00 0.00 C ATOM 780 CG LEU A 49 6.818 -1.733 0.697 1.00 0.00 C ATOM 781 CD1 LEU A 49 6.029 -0.840 -0.247 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.424 -3.190 0.509 1.00 0.00 C ATOM 0 H LEU A 49 8.666 -1.185 2.887 1.00 0.00 H new ATOM 0 HA LEU A 49 8.812 -3.478 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.582 -0.516 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.541 -1.725 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 49 6.583 -1.443 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.962 -0.982 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.290 0.202 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.268 -1.099 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.352 -3.301 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.674 -3.507 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.964 -3.808 1.226 1.00 0.00 H new ATOM 794 N SER A 50 11.164 -1.315 0.445 1.00 0.00 N ATOM 795 CA SER A 50 12.505 -1.205 -0.120 1.00 0.00 C ATOM 796 C SER A 50 13.534 -1.890 0.775 1.00 0.00 C ATOM 797 O SER A 50 13.566 -1.667 1.985 1.00 0.00 O ATOM 798 CB SER A 50 12.879 0.266 -0.314 1.00 0.00 C ATOM 799 OG SER A 50 14.253 0.406 -0.633 1.00 0.00 O ATOM 0 H SER A 50 10.693 -0.422 0.591 1.00 0.00 H new ATOM 0 HA SER A 50 12.505 -1.705 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.272 0.697 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.655 0.824 0.595 1.00 0.00 H new ATOM 0 HG SER A 50 14.379 0.286 -1.597 1.00 0.00 H new ATOM 805 N ASP A 51 14.373 -2.726 0.171 1.00 0.00 N ATOM 806 CA ASP A 51 15.403 -3.444 0.913 1.00 0.00 C ATOM 807 C ASP A 51 16.719 -3.461 0.139 1.00 0.00 C ATOM 808 O ASP A 51 17.502 -4.404 0.248 1.00 0.00 O ATOM 809 CB ASP A 51 14.946 -4.875 1.204 1.00 0.00 C ATOM 810 CG ASP A 51 14.910 -5.180 2.689 1.00 0.00 C ATOM 811 OD1 ASP A 51 15.993 -5.372 3.282 1.00 0.00 O ATOM 812 OD2 ASP A 51 13.800 -5.225 3.259 1.00 0.00 O ATOM 0 H ASP A 51 14.360 -2.923 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 51 15.567 -2.925 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.954 -5.030 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.618 -5.576 0.708 1.00 0.00 H new ATOM 817 N ASN A 52 16.954 -2.412 -0.643 1.00 0.00 N ATOM 818 CA ASN A 52 18.175 -2.306 -1.434 1.00 0.00 C ATOM 819 C ASN A 52 18.291 -3.469 -2.414 1.00 0.00 C ATOM 820 O ASN A 52 19.373 -4.023 -2.611 1.00 0.00 O ATOM 821 CB ASN A 52 19.399 -2.271 -0.517 1.00 0.00 C ATOM 822 CG ASN A 52 20.561 -1.518 -1.134 1.00 0.00 C ATOM 823 OD1 ASN A 52 21.658 -2.059 -1.279 1.00 0.00 O ATOM 824 ND2 ASN A 52 20.327 -0.265 -1.502 1.00 0.00 N ATOM 0 H ASN A 52 16.315 -1.624 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 52 18.130 -1.378 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.128 -1.803 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.710 -3.291 -0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.071 0.290 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.403 0.143 -1.363 1.00 0.00 H new ATOM 831 N VAL A 53 17.169 -3.834 -3.029 1.00 0.00 N ATOM 832 CA VAL A 53 17.147 -4.930 -3.990 1.00 0.00 C ATOM 833 C VAL A 53 16.530 -4.488 -5.312 1.00 0.00 C ATOM 834 O VAL A 53 17.145 -4.619 -6.370 1.00 0.00 O ATOM 835 CB VAL A 53 16.361 -6.139 -3.447 1.00 0.00 C ATOM 836 CG1 VAL A 53 16.481 -7.325 -4.391 1.00 0.00 C ATOM 837 CG2 VAL A 53 16.843 -6.509 -2.052 1.00 0.00 C ATOM 0 H VAL A 53 16.265 -3.387 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 53 18.183 -5.226 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 53 15.309 -5.862 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.919 -8.168 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.080 -7.054 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.530 -7.604 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.276 -7.365 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.902 -6.765 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.697 -5.663 -1.380 1.00 0.00 H new ATOM 847 N ASN A 54 15.310 -3.966 -5.245 1.00 0.00 N ATOM 848 CA ASN A 54 14.609 -3.504 -6.438 1.00 0.00 C ATOM 849 C ASN A 54 14.532 -1.981 -6.469 1.00 0.00 C ATOM 850 O ASN A 54 14.904 -1.351 -7.459 1.00 0.00 O ATOM 851 CB ASN A 54 13.201 -4.102 -6.490 1.00 0.00 C ATOM 852 CG ASN A 54 13.097 -5.250 -7.474 1.00 0.00 C ATOM 853 OD1 ASN A 54 13.585 -5.165 -8.600 1.00 0.00 O ATOM 854 ND2 ASN A 54 12.457 -6.335 -7.051 1.00 0.00 N ATOM 0 H ASN A 54 14.786 -3.852 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 54 15.169 -3.837 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.921 -4.452 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.489 -3.324 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.355 -7.140 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.068 -6.362 -6.109 1.00 0.00 H new ATOM 861 N LEU A 55 14.049 -1.395 -5.378 1.00 0.00 N ATOM 862 CA LEU A 55 13.924 0.054 -5.281 1.00 0.00 C ATOM 863 C LEU A 55 14.979 0.631 -4.340 1.00 0.00 C ATOM 864 O LEU A 55 14.699 0.908 -3.174 1.00 0.00 O ATOM 865 CB LEU A 55 12.525 0.434 -4.790 1.00 0.00 C ATOM 866 CG LEU A 55 11.373 -0.253 -5.526 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.084 -0.133 -4.728 1.00 0.00 C ATOM 868 CD2 LEU A 55 11.199 0.343 -6.916 1.00 0.00 C ATOM 0 H LEU A 55 13.738 -1.902 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 55 14.081 0.474 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.452 0.196 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.404 1.513 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 55 11.613 -1.311 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.275 -0.627 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.214 -0.606 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.838 0.920 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.376 -0.157 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.980 1.407 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.117 0.206 -7.488 1.00 0.00 H new ATOM 880 N PRO A 56 16.214 0.821 -4.838 1.00 0.00 N ATOM 881 CA PRO A 56 17.313 1.368 -4.035 1.00 0.00 C ATOM 882 C PRO A 56 17.118 2.848 -3.722 1.00 0.00 C ATOM 883 O PRO A 56 17.524 3.327 -2.663 1.00 0.00 O ATOM 884 CB PRO A 56 18.539 1.166 -4.927 1.00 0.00 C ATOM 885 CG PRO A 56 17.998 1.146 -6.315 1.00 0.00 C ATOM 886 CD PRO A 56 16.635 0.518 -6.219 1.00 0.00 C ATOM 0 HA PRO A 56 17.392 0.880 -3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.262 1.971 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.053 0.235 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.935 2.154 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.646 0.573 -6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.946 0.940 -6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.674 -0.556 -6.400 1.00 0.00 H new ATOM 894 N GLN A 57 16.496 3.568 -4.651 1.00 0.00 N ATOM 895 CA GLN A 57 16.249 4.993 -4.474 1.00 0.00 C ATOM 896 C GLN A 57 15.254 5.237 -3.343 1.00 0.00 C ATOM 897 O GLN A 57 15.325 6.250 -2.648 1.00 0.00 O ATOM 898 CB GLN A 57 15.723 5.606 -5.773 1.00 0.00 C ATOM 899 CG GLN A 57 16.820 6.096 -6.703 1.00 0.00 C ATOM 900 CD GLN A 57 17.434 4.977 -7.521 1.00 0.00 C ATOM 901 OE1 GLN A 57 16.831 4.490 -8.479 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.638 4.561 -7.148 1.00 0.00 N ATOM 0 H GLN A 57 16.154 3.187 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 57 17.193 5.470 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.119 4.865 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.064 6.440 -5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.411 6.850 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.599 6.581 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.102 4.992 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 57 19.100 3.810 -7.661 1.00 0.00 H new ATOM 911 N GLY A 58 14.328 4.301 -3.165 1.00 0.00 N ATOM 912 CA GLY A 58 13.332 4.433 -2.117 1.00 0.00 C ATOM 913 C GLY A 58 11.971 4.826 -2.656 1.00 0.00 C ATOM 914 O GLY A 58 11.866 5.398 -3.741 1.00 0.00 O ATOM 0 H GLY A 58 14.249 3.454 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.247 3.489 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.664 5.181 -1.397 1.00 0.00 H new ATOM 918 N VAL A 59 10.925 4.518 -1.896 1.00 0.00 N ATOM 919 CA VAL A 59 9.563 4.842 -2.304 1.00 0.00 C ATOM 920 C VAL A 59 9.389 6.347 -2.490 1.00 0.00 C ATOM 921 O VAL A 59 9.943 7.145 -1.734 1.00 0.00 O ATOM 922 CB VAL A 59 8.534 4.337 -1.273 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.758 4.995 0.079 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.115 4.583 -1.765 1.00 0.00 C ATOM 0 H VAL A 59 10.994 4.045 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 59 9.387 4.340 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 59 8.671 3.262 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.021 4.624 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.760 4.758 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.654 6.075 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.404 4.219 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.964 5.651 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.959 4.055 -2.706 1.00 0.00 H new ATOM 934 N ARG A 60 8.618 6.727 -3.504 1.00 0.00 N ATOM 935 CA ARG A 60 8.371 8.135 -3.790 1.00 0.00 C ATOM 936 C ARG A 60 6.965 8.339 -4.346 1.00 0.00 C ATOM 937 O ARG A 60 6.157 9.067 -3.769 1.00 0.00 O ATOM 938 CB ARG A 60 9.410 8.664 -4.783 1.00 0.00 C ATOM 939 CG ARG A 60 10.515 9.478 -4.129 1.00 0.00 C ATOM 940 CD ARG A 60 10.280 10.972 -4.292 1.00 0.00 C ATOM 941 NE ARG A 60 11.067 11.534 -5.386 1.00 0.00 N ATOM 942 CZ ARG A 60 12.389 11.687 -5.346 1.00 0.00 C ATOM 943 NH1 ARG A 60 13.074 11.318 -4.271 1.00 0.00 N ATOM 944 NH2 ARG A 60 13.028 12.207 -6.386 1.00 0.00 N ATOM 0 H ARG A 60 8.154 6.079 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 60 8.455 8.691 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.855 7.822 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.908 9.281 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.571 9.231 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.475 9.210 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.221 11.154 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.534 11.482 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 60 10.575 11.827 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.588 10.915 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.087 11.437 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.506 12.489 -7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.041 12.324 -6.356 1.00 0.00 H new ATOM 958 N THR A 61 6.679 7.691 -5.471 1.00 0.00 N ATOM 959 CA THR A 61 5.370 7.801 -6.105 1.00 0.00 C ATOM 960 C THR A 61 4.553 6.531 -5.888 1.00 0.00 C ATOM 961 O THR A 61 4.927 5.453 -6.351 1.00 0.00 O ATOM 962 CB THR A 61 5.528 8.070 -7.602 1.00 0.00 C ATOM 963 OG1 THR A 61 6.572 8.998 -7.837 1.00 0.00 O ATOM 964 CG2 THR A 61 4.273 8.620 -8.246 1.00 0.00 C ATOM 0 H THR A 61 7.336 7.085 -5.962 1.00 0.00 H new ATOM 0 HA THR A 61 4.840 8.636 -5.647 1.00 0.00 H new ATOM 0 HB THR A 61 5.752 7.101 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.659 9.156 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.453 8.789 -9.308 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.459 7.906 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.003 9.562 -7.770 1.00 0.00 H new ATOM 972 N ILE A 62 3.434 6.667 -5.183 1.00 0.00 N ATOM 973 CA ILE A 62 2.564 5.532 -4.905 1.00 0.00 C ATOM 974 C ILE A 62 1.339 5.543 -5.814 1.00 0.00 C ATOM 975 O ILE A 62 0.428 6.350 -5.635 1.00 0.00 O ATOM 976 CB ILE A 62 2.098 5.525 -3.438 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.292 5.719 -2.500 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.370 4.229 -3.117 1.00 0.00 C ATOM 979 CD1 ILE A 62 2.902 5.824 -1.041 1.00 0.00 C ATOM 0 H ILE A 62 3.109 7.552 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 62 3.149 4.633 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 62 1.404 6.353 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.981 4.884 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.829 6.622 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.048 4.241 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.499 4.131 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.041 3.385 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.797 5.960 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.237 6.676 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.391 4.911 -0.734 1.00 0.00 H new ATOM 991 N TYR A 63 1.325 4.640 -6.790 1.00 0.00 N ATOM 992 CA TYR A 63 0.212 4.545 -7.727 1.00 0.00 C ATOM 993 C TYR A 63 -0.807 3.511 -7.259 1.00 0.00 C ATOM 994 O TYR A 63 -0.513 2.680 -6.400 1.00 0.00 O ATOM 995 CB TYR A 63 0.721 4.180 -9.122 1.00 0.00 C ATOM 996 CG TYR A 63 1.724 5.166 -9.678 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.315 6.399 -10.171 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.080 4.864 -9.710 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.229 7.303 -10.680 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.000 5.763 -10.217 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.569 6.980 -10.701 1.00 0.00 C ATOM 1002 OH TYR A 63 4.481 7.877 -11.207 1.00 0.00 O ATOM 0 H TYR A 63 2.072 3.964 -6.952 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.277 5.518 -7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.178 3.191 -9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.127 4.114 -9.803 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.266 6.655 -10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.421 3.911 -9.333 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.895 8.257 -11.059 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.051 5.513 -10.234 1.00 0.00 H new ATOM 0 HH TYR A 63 5.382 7.496 -11.148 1.00 0.00 H new ATOM 1012 N THR A 64 -2.006 3.570 -7.828 1.00 0.00 N ATOM 1013 CA THR A 64 -3.068 2.638 -7.469 1.00 0.00 C ATOM 1014 C THR A 64 -2.738 1.227 -7.945 1.00 0.00 C ATOM 1015 O THR A 64 -1.803 1.026 -8.719 1.00 0.00 O ATOM 1016 CB THR A 64 -4.399 3.094 -8.071 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.340 3.080 -9.486 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.805 4.487 -7.642 1.00 0.00 C ATOM 0 H THR A 64 -2.267 4.253 -8.539 1.00 0.00 H new ATOM 0 HA THR A 64 -3.154 2.624 -6.382 1.00 0.00 H new ATOM 0 HB THR A 64 -5.141 2.387 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.186 2.741 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.757 4.747 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.908 4.518 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.043 5.201 -7.954 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.511 0.254 -7.476 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.300 -1.139 -7.854 1.00 0.00 C ATOM 1028 C ILE A 65 -3.479 -1.333 -9.357 1.00 0.00 C ATOM 1029 O ILE A 65 -2.726 -2.071 -9.991 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.264 -2.078 -7.100 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -3.935 -3.541 -7.405 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -5.708 -1.766 -7.464 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.044 -4.189 -6.368 1.00 0.00 C ATOM 0 H ILE A 65 -4.289 0.404 -6.834 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.276 -1.392 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.138 -1.914 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.864 -4.106 -7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.448 -3.600 -8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.373 -2.439 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.936 -0.735 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.850 -1.901 -8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.852 -5.225 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.100 -3.648 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.537 -4.162 -5.396 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.482 -0.666 -9.919 1.00 0.00 N ATOM 1046 CA ASP A 66 -4.760 -0.767 -11.347 1.00 0.00 C ATOM 1047 C ASP A 66 -3.793 0.097 -12.151 1.00 0.00 C ATOM 1048 O ASP A 66 -3.433 -0.243 -13.278 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.203 -0.347 -11.636 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.100 -1.533 -11.936 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.446 -2.271 -10.989 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -7.456 -1.725 -13.118 1.00 0.00 O ATOM 0 H ASP A 66 -5.115 -0.051 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.625 -1.806 -11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.599 0.197 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.216 0.339 -12.483 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.376 1.214 -11.565 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.455 2.107 -12.242 1.00 0.00 C ATOM 1059 C GLY A 67 -3.169 3.159 -13.069 1.00 0.00 C ATOM 1060 O GLY A 67 -2.798 3.413 -14.215 1.00 0.00 O ATOM 0 H GLY A 67 -3.660 1.517 -10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.821 2.598 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.799 1.525 -12.889 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.195 3.770 -12.487 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.963 4.799 -13.177 1.00 0.00 C ATOM 1066 C LEU A 68 -4.720 6.170 -12.554 1.00 0.00 C ATOM 1067 O LEU A 68 -4.635 7.177 -13.257 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.456 4.464 -13.136 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.852 3.182 -13.870 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.105 2.581 -13.254 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -7.065 3.461 -15.351 1.00 0.00 C ATOM 0 H LEU A 68 -4.514 3.570 -11.539 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.633 4.829 -14.215 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.765 4.378 -12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.012 5.297 -13.566 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.040 2.461 -13.769 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.372 1.670 -13.789 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.918 2.345 -12.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.924 3.296 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.346 2.538 -15.858 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.859 4.198 -15.472 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.143 3.847 -15.785 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.609 6.201 -11.229 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.376 7.448 -10.510 1.00 0.00 C ATOM 1085 C LYS A 69 -3.097 7.368 -9.682 1.00 0.00 C ATOM 1086 O LYS A 69 -2.467 6.313 -9.596 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.569 7.769 -9.606 1.00 0.00 C ATOM 1088 CG LYS A 69 -6.268 9.072 -9.962 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.498 9.938 -8.734 1.00 0.00 C ATOM 1090 CE LYS A 69 -7.795 10.726 -8.842 1.00 0.00 C ATOM 1091 NZ LYS A 69 -7.636 12.126 -8.364 1.00 0.00 N ATOM 0 H LYS A 69 -4.677 5.377 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.261 8.247 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.289 6.952 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.228 7.820 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.668 9.621 -10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.224 8.854 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.526 9.309 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.662 10.627 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.130 10.733 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.571 10.229 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.542 12.629 -8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.341 12.121 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.914 12.608 -8.936 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.720 8.488 -9.076 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.516 8.545 -8.254 1.00 0.00 C ATOM 1107 C LYS A 70 -1.815 9.163 -6.893 1.00 0.00 C ATOM 1108 O LYS A 70 -2.555 10.143 -6.794 1.00 0.00 O ATOM 1109 CB LYS A 70 -0.426 9.349 -8.964 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.890 10.718 -9.436 1.00 0.00 C ATOM 1111 CD LYS A 70 0.105 11.806 -9.064 1.00 0.00 C ATOM 1112 CE LYS A 70 1.011 12.155 -10.233 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.795 10.977 -10.700 1.00 0.00 N ATOM 0 H LYS A 70 -3.230 9.369 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.163 7.525 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.420 9.474 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.067 8.780 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.027 10.704 -10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.861 10.946 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.433 12.697 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.710 11.474 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.409 12.540 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.694 12.952 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.485 11.281 -11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.297 10.553 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.151 10.274 -11.116 1.00 0.00 H new ATOM 1127 N ILE A 71 -1.235 8.586 -5.845 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.439 9.081 -4.490 1.00 0.00 C ATOM 1129 C ILE A 71 -0.474 10.217 -4.170 1.00 0.00 C ATOM 1130 O ILE A 71 0.744 10.041 -4.209 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.258 7.961 -3.448 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.055 6.720 -3.856 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.687 8.443 -2.070 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.541 6.973 -3.985 1.00 0.00 C ATOM 0 H ILE A 71 -0.620 7.775 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.463 9.451 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.202 7.694 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.674 6.350 -4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.891 5.934 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.553 7.640 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.079 9.300 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.737 8.735 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.043 6.051 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.936 7.315 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.716 7.736 -4.743 1.00 0.00 H new ATOM 1146 N SER A 72 -1.026 11.384 -3.852 1.00 0.00 N ATOM 1147 CA SER A 72 -0.214 12.551 -3.526 1.00 0.00 C ATOM 1148 C SER A 72 -0.317 12.887 -2.041 1.00 0.00 C ATOM 1149 O SER A 72 0.640 13.371 -1.437 1.00 0.00 O ATOM 1150 CB SER A 72 -0.651 13.753 -4.364 1.00 0.00 C ATOM 1151 OG SER A 72 0.465 14.533 -4.758 1.00 0.00 O ATOM 0 H SER A 72 -2.032 11.546 -3.813 1.00 0.00 H new ATOM 0 HA SER A 72 0.825 12.316 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.188 13.408 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.344 14.368 -3.790 1.00 0.00 H new ATOM 0 HG SER A 72 0.159 15.294 -5.294 1.00 0.00 H new ATOM 1157 N SER A 73 -1.484 12.626 -1.460 1.00 0.00 N ATOM 1158 CA SER A 73 -1.712 12.902 -0.046 1.00 0.00 C ATOM 1159 C SER A 73 -2.291 11.680 0.660 1.00 0.00 C ATOM 1160 O SER A 73 -2.768 10.746 0.015 1.00 0.00 O ATOM 1161 CB SER A 73 -2.655 14.095 0.117 1.00 0.00 C ATOM 1162 OG SER A 73 -2.068 15.282 -0.386 1.00 0.00 O ATOM 0 H SER A 73 -2.286 12.224 -1.946 1.00 0.00 H new ATOM 0 HA SER A 73 -0.752 13.142 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.590 13.898 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.902 14.226 1.171 1.00 0.00 H new ATOM 0 HG SER A 73 -2.692 16.029 -0.271 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.246 11.694 1.987 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.766 10.587 2.781 1.00 0.00 C ATOM 1170 C LEU A 74 -4.286 10.510 2.679 1.00 0.00 C ATOM 1171 O LEU A 74 -4.866 9.425 2.711 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.350 10.743 4.245 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.846 10.637 4.506 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.494 11.252 5.851 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.397 9.185 4.447 1.00 0.00 C ATOM 0 H LEU A 74 -1.855 12.460 2.536 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.346 9.662 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.698 11.711 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.860 9.982 4.835 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.321 11.191 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.580 11.168 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.781 12.304 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.028 10.726 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.675 9.128 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.929 8.609 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.615 8.777 3.460 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.924 11.669 2.554 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.378 11.733 2.446 1.00 0.00 C ATOM 1189 C ASP A 75 -6.861 11.025 1.183 1.00 0.00 C ATOM 1190 O ASP A 75 -7.956 10.463 1.157 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.846 13.189 2.438 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.646 13.868 3.779 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -7.184 13.362 4.787 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -5.950 14.904 3.822 1.00 0.00 O ATOM 0 H ASP A 75 -4.458 12.576 2.525 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.805 11.226 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.301 13.739 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.901 13.227 2.168 1.00 0.00 H new ATOM 1199 N GLN A 76 -6.038 11.057 0.141 1.00 0.00 N ATOM 1200 CA GLN A 76 -6.381 10.418 -1.124 1.00 0.00 C ATOM 1201 C GLN A 76 -6.598 8.920 -0.936 1.00 0.00 C ATOM 1202 O GLN A 76 -7.403 8.306 -1.636 1.00 0.00 O ATOM 1203 CB GLN A 76 -5.280 10.659 -2.157 1.00 0.00 C ATOM 1204 CG GLN A 76 -5.166 12.110 -2.598 1.00 0.00 C ATOM 1205 CD GLN A 76 -5.638 12.327 -4.022 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -6.813 12.134 -4.334 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -4.722 12.730 -4.894 1.00 0.00 N ATOM 0 H GLN A 76 -5.128 11.519 0.147 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.310 10.859 -1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.325 10.339 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.471 10.036 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.752 12.737 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.128 12.432 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.759 12.877 -4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.981 12.892 -5.867 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.875 8.337 0.014 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.989 6.911 0.295 1.00 0.00 C ATOM 1218 C LEU A 77 -7.388 6.565 0.795 1.00 0.00 C ATOM 1219 O LEU A 77 -7.996 7.328 1.545 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.945 6.489 1.331 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.510 6.406 0.808 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.516 6.516 1.955 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.298 5.112 0.038 1.00 0.00 C ATOM 0 H LEU A 77 -5.204 8.830 0.602 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.810 6.368 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.973 7.195 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.226 5.515 1.732 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.342 7.241 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.501 6.455 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.652 7.470 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.683 5.702 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.272 5.070 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.485 4.263 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.985 5.075 -0.807 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.892 5.408 0.375 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.218 4.961 0.781 1.00 0.00 C ATOM 1237 C VAL A 78 -9.131 3.763 1.719 1.00 0.00 C ATOM 1238 O VAL A 78 -8.241 2.922 1.588 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.080 4.580 -0.438 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.516 4.311 -0.015 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -10.024 5.674 -1.494 1.00 0.00 C ATOM 0 H VAL A 78 -7.401 4.764 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.686 5.796 1.303 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.677 3.665 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.109 4.044 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.536 3.490 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.933 5.206 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.639 5.388 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.400 6.606 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.993 5.813 -1.820 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.061 3.691 2.667 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.090 2.596 3.629 1.00 0.00 C ATOM 1253 C GLU A 79 -10.340 1.264 2.929 1.00 0.00 C ATOM 1254 O GLU A 79 -11.415 1.034 2.377 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.170 2.843 4.682 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.932 2.099 5.986 1.00 0.00 C ATOM 1257 CD GLU A 79 -12.112 2.189 6.933 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.546 3.320 7.234 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -12.602 1.128 7.374 1.00 0.00 O ATOM 0 H GLU A 79 -10.804 4.379 2.789 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.118 2.551 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.226 3.912 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.137 2.546 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.724 1.051 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.047 2.505 6.475 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.339 0.389 2.959 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.471 -0.909 2.324 1.00 0.00 C ATOM 1268 C GLY A 80 -9.153 -0.866 0.842 1.00 0.00 C ATOM 1269 O GLY A 80 -10.028 -1.095 0.007 1.00 0.00 O ATOM 0 H GLY A 80 -8.440 0.556 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.805 -1.619 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.488 -1.276 2.464 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.899 -0.571 0.516 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.468 -0.498 -0.875 1.00 0.00 C ATOM 1275 C GLU A 81 -6.020 -0.957 -1.019 1.00 0.00 C ATOM 1276 O GLU A 81 -5.326 -1.174 -0.027 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.620 0.931 -1.403 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.872 1.139 -2.241 1.00 0.00 C ATOM 1279 CD GLU A 81 -8.889 0.274 -3.486 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -9.397 -0.865 -3.411 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -8.395 0.735 -4.536 1.00 0.00 O ATOM 0 H GLU A 81 -7.164 -0.379 1.196 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.101 -1.163 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.638 1.621 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.745 1.183 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.751 0.916 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.941 2.188 -2.530 1.00 0.00 H new ATOM 1288 N SER A 82 -5.573 -1.103 -2.262 1.00 0.00 N ATOM 1289 CA SER A 82 -4.207 -1.535 -2.537 1.00 0.00 C ATOM 1290 C SER A 82 -3.500 -0.548 -3.458 1.00 0.00 C ATOM 1291 O SER A 82 -4.125 0.072 -4.318 1.00 0.00 O ATOM 1292 CB SER A 82 -4.209 -2.929 -3.169 1.00 0.00 C ATOM 1293 OG SER A 82 -4.663 -3.905 -2.248 1.00 0.00 O ATOM 0 H SER A 82 -6.136 -0.929 -3.094 1.00 0.00 H new ATOM 0 HA SER A 82 -3.666 -1.573 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.849 -2.931 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.203 -3.181 -3.505 1.00 0.00 H new ATOM 0 HG SER A 82 -4.657 -4.787 -2.676 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.192 -0.407 -3.273 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.398 0.506 -4.089 1.00 0.00 C ATOM 1301 C TYR A 83 0.015 -0.029 -4.285 1.00 0.00 C ATOM 1302 O TYR A 83 0.555 -0.720 -3.419 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.347 1.891 -3.440 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.702 2.417 -3.026 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.309 1.980 -1.855 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.374 3.350 -3.804 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.548 2.459 -1.472 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.613 3.834 -3.427 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.195 3.385 -2.261 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.428 3.864 -1.883 1.00 0.00 O ATOM 0 H TYR A 83 -1.659 -0.913 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.874 0.588 -5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.700 1.849 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.892 2.593 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.805 1.254 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.922 3.704 -4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.007 2.109 -0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.122 4.560 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.746 4.510 -2.548 1.00 0.00 H new ATOM 1320 N VAL A 84 0.611 0.295 -5.428 1.00 0.00 N ATOM 1321 CA VAL A 84 1.963 -0.153 -5.738 1.00 0.00 C ATOM 1322 C VAL A 84 2.975 0.967 -5.527 1.00 0.00 C ATOM 1323 O VAL A 84 2.771 2.095 -5.977 1.00 0.00 O ATOM 1324 CB VAL A 84 2.069 -0.658 -7.190 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.423 -1.303 -7.434 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.941 -1.633 -7.498 1.00 0.00 C ATOM 0 H VAL A 84 0.179 0.866 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 84 2.187 -0.975 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 84 1.975 0.196 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.479 -1.653 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.212 -0.572 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.551 -2.147 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.031 -1.980 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.002 -2.485 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.018 -1.133 -7.366 1.00 0.00 H new ATOM 1336 N CYS A 85 4.066 0.650 -4.837 1.00 0.00 N ATOM 1337 CA CYS A 85 5.110 1.632 -4.567 1.00 0.00 C ATOM 1338 C CYS A 85 6.130 1.670 -5.699 1.00 0.00 C ATOM 1339 O CYS A 85 6.611 0.629 -6.149 1.00 0.00 O ATOM 1340 CB CYS A 85 5.810 1.311 -3.245 1.00 0.00 C ATOM 1341 SG CYS A 85 4.818 1.673 -1.777 1.00 0.00 S ATOM 0 H CYS A 85 4.250 -0.278 -4.455 1.00 0.00 H new ATOM 0 HA CYS A 85 4.640 2.613 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 85 6.080 0.255 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.739 1.878 -3.191 1.00 0.00 H new ATOM 0 HG CYS A 85 5.578 2.187 -0.856 1.00 0.00 H new ATOM 1347 N GLY A 86 6.455 2.875 -6.157 1.00 0.00 N ATOM 1348 CA GLY A 86 7.415 3.025 -7.234 1.00 0.00 C ATOM 1349 C GLY A 86 8.490 4.046 -6.914 1.00 0.00 C ATOM 1350 O GLY A 86 8.268 4.963 -6.123 1.00 0.00 O ATOM 0 H GLY A 86 6.070 3.750 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.882 2.061 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.893 3.324 -8.143 1.00 0.00 H new ATOM 1354 N SER A 87 9.657 3.886 -7.530 1.00 0.00 N ATOM 1355 CA SER A 87 10.770 4.801 -7.307 1.00 0.00 C ATOM 1356 C SER A 87 11.317 5.326 -8.630 1.00 0.00 C ATOM 1357 O SER A 87 11.207 6.515 -8.931 1.00 0.00 O ATOM 1358 CB SER A 87 11.883 4.102 -6.524 1.00 0.00 C ATOM 1359 OG SER A 87 12.816 5.040 -6.015 1.00 0.00 O ATOM 0 H SER A 87 9.856 3.132 -8.187 1.00 0.00 H new ATOM 0 HA SER A 87 10.401 5.646 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.451 3.532 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.395 3.390 -7.171 1.00 0.00 H new ATOM 0 HG SER A 87 12.436 5.487 -5.230 1.00 0.00 H new ATOM 1365 N ILE A 88 11.907 4.432 -9.417 1.00 0.00 N ATOM 1366 CA ILE A 88 12.471 4.805 -10.708 1.00 0.00 C ATOM 1367 C ILE A 88 12.194 3.733 -11.759 1.00 0.00 C ATOM 1368 O ILE A 88 13.118 3.135 -12.311 1.00 0.00 O ATOM 1369 CB ILE A 88 13.992 5.037 -10.610 1.00 0.00 C ATOM 1370 CG1 ILE A 88 14.316 5.943 -9.420 1.00 0.00 C ATOM 1371 CG2 ILE A 88 14.521 5.640 -11.902 1.00 0.00 C ATOM 1372 CD1 ILE A 88 13.757 7.342 -9.555 1.00 0.00 C ATOM 0 H ILE A 88 12.007 3.444 -9.183 1.00 0.00 H new ATOM 0 HA ILE A 88 11.989 5.735 -11.009 1.00 0.00 H new ATOM 0 HB ILE A 88 14.482 4.076 -10.455 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.922 5.489 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.398 6.003 -9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.596 5.798 -11.816 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.319 4.961 -12.730 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.028 6.594 -12.087 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.026 7.928 -8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.171 7.815 -10.446 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.671 7.293 -9.641 1.00 0.00 H new ATOM 1384 N GLU A 89 10.915 3.496 -12.029 1.00 0.00 N ATOM 1385 CA GLU A 89 10.515 2.497 -13.014 1.00 0.00 C ATOM 1386 C GLU A 89 9.034 2.636 -13.359 1.00 0.00 C ATOM 1387 O GLU A 89 8.240 3.106 -12.545 1.00 0.00 O ATOM 1388 CB GLU A 89 10.798 1.089 -12.486 1.00 0.00 C ATOM 1389 CG GLU A 89 10.285 0.854 -11.074 1.00 0.00 C ATOM 1390 CD GLU A 89 11.389 0.472 -10.106 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.276 1.315 -9.856 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.365 -0.670 -9.599 1.00 0.00 O ATOM 0 H GLU A 89 10.138 3.981 -11.580 1.00 0.00 H new ATOM 0 HA GLU A 89 11.098 2.662 -13.920 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.341 0.360 -13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.873 0.911 -12.507 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.790 1.757 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.534 0.065 -11.092 1.00 0.00 H new ATOM 1399 N PRO A 90 8.642 2.226 -14.578 1.00 0.00 N ATOM 1400 CA PRO A 90 7.249 2.305 -15.028 1.00 0.00 C ATOM 1401 C PRO A 90 6.343 1.325 -14.289 1.00 0.00 C ATOM 1402 O PRO A 90 6.785 0.256 -13.867 1.00 0.00 O ATOM 1403 CB PRO A 90 7.332 1.942 -16.512 1.00 0.00 C ATOM 1404 CG PRO A 90 8.562 1.112 -16.632 1.00 0.00 C ATOM 1405 CD PRO A 90 9.525 1.651 -15.611 1.00 0.00 C ATOM 0 HA PRO A 90 6.817 3.288 -14.840 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.449 1.390 -16.834 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.395 2.834 -17.135 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.343 0.061 -16.446 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.981 1.177 -17.636 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.161 0.865 -15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.185 2.405 -16.040 1.00 0.00 H new ATOM 1413 N PHE A 91 5.077 1.696 -14.138 1.00 0.00 N ATOM 1414 CA PHE A 91 4.110 0.849 -13.449 1.00 0.00 C ATOM 1415 C PHE A 91 3.965 -0.496 -14.155 1.00 0.00 C ATOM 1416 O PHE A 91 3.652 -0.554 -15.344 1.00 0.00 O ATOM 1417 CB PHE A 91 2.751 1.546 -13.374 1.00 0.00 C ATOM 1418 CG PHE A 91 1.772 0.858 -12.466 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.087 -0.270 -12.892 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.536 1.337 -11.187 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.186 -0.906 -12.060 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.636 0.706 -10.350 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.039 -0.417 -10.787 1.00 0.00 C ATOM 0 H PHE A 91 4.696 2.577 -14.483 1.00 0.00 H new ATOM 0 HA PHE A 91 4.476 0.672 -12.438 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.896 2.570 -13.030 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.326 1.604 -14.376 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.260 -0.656 -13.886 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.062 2.214 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.341 -1.784 -12.404 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.461 1.090 -9.356 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.742 -0.913 -10.134 1.00 0.00 H new ATOM 1433 N LYS A 92 4.193 -1.575 -13.412 1.00 0.00 N ATOM 1434 CA LYS A 92 4.087 -2.920 -13.966 1.00 0.00 C ATOM 1435 C LYS A 92 2.814 -3.607 -13.483 1.00 0.00 C ATOM 1436 O LYS A 92 2.632 -3.828 -12.286 1.00 0.00 O ATOM 1437 CB LYS A 92 5.310 -3.752 -13.577 1.00 0.00 C ATOM 1438 CG LYS A 92 6.618 -3.205 -14.125 1.00 0.00 C ATOM 1439 CD LYS A 92 7.818 -3.851 -13.452 1.00 0.00 C ATOM 1440 CE LYS A 92 9.124 -3.251 -13.946 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.253 -3.345 -15.426 1.00 0.00 N ATOM 0 H LYS A 92 4.452 -1.544 -12.426 1.00 0.00 H new ATOM 0 HA LYS A 92 4.044 -2.837 -15.052 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.374 -3.802 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.174 -4.772 -13.936 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.665 -3.380 -15.200 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.653 -2.126 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.743 -3.723 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.812 -4.923 -13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.181 -2.206 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.961 -3.766 -13.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.228 -3.116 -15.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.023 -4.311 -15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.598 -2.673 -15.875 1.00 0.00 H new ATOM 1455 N LYS A 93 1.937 -3.945 -14.423 1.00 0.00 N ATOM 1456 CA LYS A 93 0.682 -4.608 -14.093 1.00 0.00 C ATOM 1457 C LYS A 93 0.898 -6.101 -13.866 1.00 0.00 C ATOM 1458 O LYS A 93 1.086 -6.863 -14.814 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.342 -4.392 -15.209 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.748 -4.112 -14.701 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.803 -4.595 -15.682 1.00 0.00 C ATOM 1462 CE LYS A 93 -4.148 -4.797 -15.003 1.00 0.00 C ATOM 1463 NZ LYS A 93 -5.139 -3.764 -15.417 1.00 0.00 N ATOM 0 H LYS A 93 2.073 -3.770 -15.419 1.00 0.00 H new ATOM 0 HA LYS A 93 0.301 -4.171 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.017 -3.559 -15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.364 -5.276 -15.846 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.893 -4.604 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.869 -3.042 -14.534 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.908 -3.871 -16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.478 -5.532 -16.134 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.533 -5.787 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.018 -4.763 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.043 -3.936 -14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.784 -2.820 -15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.283 -3.813 -16.446 1.00 0.00 H new ATOM 1477 N LEU A 94 0.869 -6.513 -12.602 1.00 0.00 N ATOM 1478 CA LEU A 94 1.062 -7.914 -12.250 1.00 0.00 C ATOM 1479 C LEU A 94 -0.053 -8.403 -11.331 1.00 0.00 C ATOM 1480 O LEU A 94 -0.595 -7.637 -10.535 1.00 0.00 O ATOM 1481 CB LEU A 94 2.420 -8.109 -11.571 1.00 0.00 C ATOM 1482 CG LEU A 94 3.631 -7.751 -12.432 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.767 -7.231 -11.565 1.00 0.00 C ATOM 1484 CD2 LEU A 94 4.084 -8.957 -13.242 1.00 0.00 C ATOM 0 H LEU A 94 0.714 -5.896 -11.805 1.00 0.00 H new ATOM 0 HA LEU A 94 1.035 -8.500 -13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.446 -7.504 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.508 -9.150 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 94 3.340 -6.962 -13.125 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.621 -6.981 -12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.438 -6.340 -11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.058 -7.998 -10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.947 -8.684 -13.849 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.357 -9.767 -12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.272 -9.285 -13.892 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.392 -9.682 -11.449 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.444 -10.273 -10.630 1.00 0.00 C ATOM 1498 C GLU A 95 -0.979 -10.447 -9.188 1.00 0.00 C ATOM 1499 O GLU A 95 -0.413 -11.478 -8.827 1.00 0.00 O ATOM 1500 CB GLU A 95 -1.869 -11.626 -11.207 1.00 0.00 C ATOM 1501 CG GLU A 95 -3.362 -11.889 -11.103 1.00 0.00 C ATOM 1502 CD GLU A 95 -4.146 -11.253 -12.234 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -3.714 -11.377 -13.400 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -5.193 -10.632 -11.955 1.00 0.00 O ATOM 0 H GLU A 95 0.046 -10.330 -12.104 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.299 -9.597 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.572 -11.674 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.332 -12.419 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.539 -12.965 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.729 -11.506 -10.151 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.223 -9.430 -8.367 1.00 0.00 N ATOM 1512 CA TYR A 96 -0.830 -9.470 -6.963 1.00 0.00 C ATOM 1513 C TYR A 96 -1.899 -10.156 -6.119 1.00 0.00 C ATOM 1514 O TYR A 96 -1.590 -10.967 -5.246 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.582 -8.054 -6.440 1.00 0.00 C ATOM 1516 CG TYR A 96 0.315 -7.227 -7.333 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.678 -7.488 -7.414 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.199 -6.184 -8.093 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.501 -6.733 -8.228 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.618 -5.425 -8.910 1.00 0.00 C ATOM 1521 CZ TYR A 96 1.967 -5.704 -8.974 1.00 0.00 C ATOM 1522 OH TYR A 96 2.785 -4.951 -9.785 1.00 0.00 O ATOM 0 H TYR A 96 -1.691 -8.569 -8.650 1.00 0.00 H new ATOM 0 HA TYR A 96 0.093 -10.045 -6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.539 -7.544 -6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.136 -8.115 -5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.100 -8.293 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.255 -5.962 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.558 -6.948 -8.279 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.202 -4.618 -9.495 1.00 0.00 H new ATOM 0 HH TYR A 96 2.311 -4.731 -10.614 1.00 0.00 H new ATOM 1532 N THR A 97 -3.158 -9.826 -6.387 1.00 0.00 N ATOM 1533 CA THR A 97 -4.275 -10.410 -5.654 1.00 0.00 C ATOM 1534 C THR A 97 -4.326 -11.924 -5.842 1.00 0.00 C ATOM 1535 O THR A 97 -4.937 -12.636 -5.045 1.00 0.00 O ATOM 1536 CB THR A 97 -5.594 -9.785 -6.113 1.00 0.00 C ATOM 1537 OG1 THR A 97 -5.816 -10.034 -7.489 1.00 0.00 O ATOM 1538 CG2 THR A 97 -5.652 -8.287 -5.902 1.00 0.00 C ATOM 0 H THR A 97 -3.430 -9.157 -7.107 1.00 0.00 H new ATOM 0 HA THR A 97 -4.127 -10.201 -4.595 1.00 0.00 H new ATOM 0 HB THR A 97 -6.364 -10.252 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.665 -9.628 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.613 -7.908 -6.249 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.535 -8.064 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.850 -7.809 -6.464 1.00 0.00 H new ATOM 1546 N LYS A 98 -3.683 -12.414 -6.899 1.00 0.00 N ATOM 1547 CA LYS A 98 -3.658 -13.845 -7.188 1.00 0.00 C ATOM 1548 C LYS A 98 -3.187 -14.643 -5.975 1.00 0.00 C ATOM 1549 O LYS A 98 -3.603 -15.782 -5.770 1.00 0.00 O ATOM 1550 CB LYS A 98 -2.748 -14.129 -8.383 1.00 0.00 C ATOM 1551 CG LYS A 98 -2.937 -15.517 -8.976 1.00 0.00 C ATOM 1552 CD LYS A 98 -1.630 -16.293 -9.016 1.00 0.00 C ATOM 1553 CE LYS A 98 -1.580 -17.246 -10.200 1.00 0.00 C ATOM 1554 NZ LYS A 98 -1.565 -18.671 -9.765 1.00 0.00 N ATOM 0 H LYS A 98 -3.172 -11.840 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.674 -14.156 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.935 -13.384 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.709 -14.014 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.670 -16.068 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.340 -15.430 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.794 -15.596 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.512 -16.856 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.443 -17.072 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.691 -17.039 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.531 -19.289 -10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.728 -18.844 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.425 -18.876 -9.218 1.00 0.00 H new ATOM 1568 N ASN A 99 -2.317 -14.036 -5.174 1.00 0.00 N ATOM 1569 CA ASN A 99 -1.793 -14.691 -3.981 1.00 0.00 C ATOM 1570 C ASN A 99 -2.364 -14.061 -2.714 1.00 0.00 C ATOM 1571 O ASN A 99 -1.734 -14.090 -1.657 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.265 -14.610 -3.959 1.00 0.00 C ATOM 1573 CG ASN A 99 0.242 -13.195 -4.151 1.00 0.00 C ATOM 1574 OD1 ASN A 99 0.080 -12.341 -3.279 1.00 0.00 O ATOM 1575 ND2 ASN A 99 0.862 -12.939 -5.298 1.00 0.00 N ATOM 0 H ASN A 99 -1.961 -13.093 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.096 -15.738 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.103 -14.999 -3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.141 -15.248 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.226 -12.004 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.974 -13.677 -5.993 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.561 -13.492 -2.828 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.215 -12.857 -1.691 1.00 0.00 C ATOM 1584 C VAL A 100 -5.732 -12.896 -1.839 1.00 0.00 C ATOM 1585 O VAL A 100 -6.267 -12.649 -2.921 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.767 -11.393 -1.528 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -4.314 -10.806 -0.235 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.250 -11.291 -1.567 1.00 0.00 C ATOM 0 H VAL A 100 -4.096 -13.458 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.922 -13.420 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.169 -10.816 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.986 -9.771 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.403 -10.842 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.945 -11.384 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.952 -10.249 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.825 -11.883 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.884 -11.668 -2.522 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.421 -13.211 -0.747 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.878 -13.282 -0.756 1.00 0.00 C ATOM 1600 C ASN A 101 -8.491 -11.958 -0.303 1.00 0.00 C ATOM 1601 O ASN A 101 -7.999 -11.328 0.633 1.00 0.00 O ATOM 1602 CB ASN A 101 -8.359 -14.417 0.150 1.00 0.00 C ATOM 1603 CG ASN A 101 -7.804 -15.765 -0.267 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -7.972 -16.192 -1.408 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -7.139 -16.442 0.661 1.00 0.00 N ATOM 0 H ASN A 101 -5.994 -13.421 0.155 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.201 -13.480 -1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -8.063 -14.208 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.448 -14.455 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.743 -17.356 0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.024 -16.049 1.595 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.576 -11.515 -0.964 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.250 -10.260 -0.620 1.00 0.00 C ATOM 1614 C PRO A 102 -11.064 -10.374 0.665 1.00 0.00 C ATOM 1615 O PRO A 102 -12.282 -10.544 0.627 1.00 0.00 O ATOM 1616 CB PRO A 102 -11.168 -10.016 -1.817 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.466 -11.376 -2.344 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.231 -12.201 -2.095 1.00 0.00 C ATOM 0 HA PRO A 102 -9.543 -9.451 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.079 -9.498 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.681 -9.397 -2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.331 -11.808 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.702 -11.339 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.481 -13.233 -1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.586 -12.232 -2.973 1.00 0.00 H new ATOM 1626 N ASN A 103 -10.383 -10.278 1.803 1.00 0.00 N ATOM 1627 CA ASN A 103 -11.044 -10.371 3.099 1.00 0.00 C ATOM 1628 C ASN A 103 -10.090 -9.981 4.224 1.00 0.00 C ATOM 1629 O ASN A 103 -9.957 -10.696 5.217 1.00 0.00 O ATOM 1630 CB ASN A 103 -11.571 -11.789 3.326 1.00 0.00 C ATOM 1631 CG ASN A 103 -12.550 -11.864 4.481 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -13.682 -11.394 4.381 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -12.116 -12.458 5.587 1.00 0.00 N ATOM 0 H ASN A 103 -9.374 -10.136 1.853 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.884 -9.676 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.058 -12.142 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.733 -12.458 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.730 -12.538 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.169 -12.834 5.626 1.00 0.00 H new ATOM 1640 N TRP A 104 -9.429 -8.840 4.063 1.00 0.00 N ATOM 1641 CA TRP A 104 -8.487 -8.352 5.064 1.00 0.00 C ATOM 1642 C TRP A 104 -8.997 -7.069 5.711 1.00 0.00 C ATOM 1643 O TRP A 104 -8.830 -6.859 6.913 1.00 0.00 O ATOM 1644 CB TRP A 104 -7.117 -8.107 4.429 1.00 0.00 C ATOM 1645 CG TRP A 104 -7.176 -7.265 3.191 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.552 -7.670 1.943 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.849 -5.876 3.082 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.479 -6.616 1.063 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -7.050 -5.504 1.738 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.406 -4.909 3.989 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.823 -4.208 1.283 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -6.181 -3.623 3.535 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.390 -3.282 2.193 1.00 0.00 C ATOM 0 H TRP A 104 -9.528 -8.235 3.248 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.390 -9.114 5.837 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -6.468 -7.622 5.159 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -6.661 -9.067 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.862 -8.672 1.684 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.707 -6.656 0.070 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -6.242 -5.162 5.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.983 -3.943 0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.838 -2.868 4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.206 -2.268 1.870 1.00 0.00 H new ATOM 1664 N SER A 105 -9.619 -6.213 4.907 1.00 0.00 N ATOM 1665 CA SER A 105 -10.154 -4.950 5.401 1.00 0.00 C ATOM 1666 C SER A 105 -11.674 -4.917 5.279 1.00 0.00 C ATOM 1667 O SER A 105 -12.259 -3.888 4.938 1.00 0.00 O ATOM 1668 CB SER A 105 -9.543 -3.777 4.632 1.00 0.00 C ATOM 1669 OG SER A 105 -10.097 -2.543 5.056 1.00 0.00 O ATOM 0 H SER A 105 -9.765 -6.371 3.910 1.00 0.00 H new ATOM 0 HA SER A 105 -9.891 -4.861 6.455 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.463 -3.764 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.716 -3.909 3.564 1.00 0.00 H new ATOM 0 HG SER A 105 -11.075 -2.591 5.011 1.00 0.00 H new