USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 73 THR OG1 : rot 84:sc= -0.142 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -2.74! C(o=-2.9!,f=-4!) USER MOD Set 2.1: A 44 GLN : amide:sc= -6.34! K(o=-6.3!,f=-2.7) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 30 GLN : amide:sc= -0.424 K(o=-9.3,f=-6.7) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 98 HIS : no HD1:sc= -8.92! C(o=-9.3!,f=-6.7!) USER MOD Single : A 19 GLN : amide:sc= -2.31 K(o=-2.3,f=-3.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.042) USER MOD Single : A 27 MET CE :methyl -179:sc= -0.765 (180deg=-0.767) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -150:sc= -0.0856 USER MOD Single : A 40 SER OG : rot 85:sc= 0.491 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 46 GLN : amide:sc= 0.269 K(o=0.27,f=-0.76) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.493 K(o=-0.49,f=-6.4!) USER MOD Single : A 56 THR OG1 : rot 95:sc= 1.08 USER MOD Single : A 58 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.63) USER MOD Single : A 63 ASN : amide:sc= -2.79 K(o=-2.8,f=-0.51) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.634) USER MOD Single : A 67 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 75 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 76 GLN : amide:sc= -8.65! C(o=-8.6!,f=-7.8!) USER MOD Single : A 81 TYR OH : rot -116:sc= 1.21 USER MOD Single : A 82 ASN : amide:sc= -11.1! C(o=-11!,f=-24!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.8) USER MOD Single : A 93 SER OG : rot 91:sc= 0.199 USER MOD Single : A 102 ASN : amide:sc= -2.15! C(o=-2.1!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.872 4.385 -17.294 1.00 0.00 N ATOM 129 CA VAL A 13 -2.620 4.279 -15.862 1.00 0.00 C ATOM 130 C VAL A 13 -3.782 4.850 -15.056 1.00 0.00 C ATOM 131 O VAL A 13 -4.224 4.250 -14.077 1.00 0.00 O ATOM 132 CB VAL A 13 -1.325 5.012 -15.464 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.120 4.954 -13.958 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.131 4.418 -16.196 1.00 0.00 C ATOM 0 HA VAL A 13 -2.512 3.218 -15.637 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.416 6.059 -15.754 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.200 5.477 -13.696 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.963 5.430 -13.457 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.049 3.914 -13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.776 4.948 -15.903 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.034 3.363 -15.939 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.278 4.517 -17.272 1.00 0.00 H new ATOM 144 N GLU A 14 -4.272 6.012 -15.476 1.00 0.00 N ATOM 145 CA GLU A 14 -5.383 6.663 -14.793 1.00 0.00 C ATOM 146 C GLU A 14 -6.584 5.727 -14.691 1.00 0.00 C ATOM 147 O GLU A 14 -7.186 5.586 -13.628 1.00 0.00 O ATOM 148 CB GLU A 14 -5.782 7.945 -15.528 1.00 0.00 C ATOM 149 CG GLU A 14 -4.641 8.934 -15.691 1.00 0.00 C ATOM 150 CD GLU A 14 -3.812 8.670 -16.932 1.00 0.00 C ATOM 151 OE1 GLU A 14 -4.368 8.130 -17.912 1.00 0.00 O ATOM 152 OE2 GLU A 14 -2.608 9.002 -16.925 1.00 0.00 O ATOM 0 H GLU A 14 -3.917 6.521 -16.285 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.057 6.917 -13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.168 7.684 -16.513 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.595 8.427 -14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.046 9.945 -15.737 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.997 8.888 -14.812 1.00 0.00 H new ATOM 159 N GLY A 15 -6.926 5.090 -15.807 1.00 0.00 N ATOM 160 CA GLY A 15 -8.053 4.176 -15.823 1.00 0.00 C ATOM 161 C GLY A 15 -8.009 3.181 -14.680 1.00 0.00 C ATOM 162 O GLY A 15 -9.016 2.947 -14.012 1.00 0.00 O ATOM 0 H GLY A 15 -6.443 5.191 -16.700 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.980 4.746 -15.769 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.066 3.636 -16.770 1.00 0.00 H new ATOM 166 N ALA A 16 -6.839 2.591 -14.456 1.00 0.00 N ATOM 167 CA ALA A 16 -6.667 1.616 -13.386 1.00 0.00 C ATOM 168 C ALA A 16 -7.455 2.019 -12.144 1.00 0.00 C ATOM 169 O ALA A 16 -7.966 1.167 -11.418 1.00 0.00 O ATOM 170 CB ALA A 16 -5.192 1.456 -13.049 1.00 0.00 C ATOM 0 H ALA A 16 -5.996 2.771 -15.002 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.054 0.659 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.079 0.725 -12.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.652 1.114 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.787 2.415 -12.725 1.00 0.00 H new ATOM 176 N ALA A 17 -7.548 3.323 -11.906 1.00 0.00 N ATOM 177 CA ALA A 17 -8.275 3.839 -10.752 1.00 0.00 C ATOM 178 C ALA A 17 -9.780 3.666 -10.929 1.00 0.00 C ATOM 179 O ALA A 17 -10.474 3.214 -10.019 1.00 0.00 O ATOM 180 CB ALA A 17 -7.933 5.304 -10.524 1.00 0.00 C ATOM 0 H ALA A 17 -7.129 4.041 -12.497 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.970 3.266 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.483 5.676 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.863 5.404 -10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.208 5.883 -11.405 1.00 0.00 H new ATOM 186 N PHE A 18 -10.278 4.030 -12.106 1.00 0.00 N ATOM 187 CA PHE A 18 -11.701 3.917 -12.402 1.00 0.00 C ATOM 188 C PHE A 18 -12.276 2.626 -11.825 1.00 0.00 C ATOM 189 O PHE A 18 -13.154 2.656 -10.964 1.00 0.00 O ATOM 190 CB PHE A 18 -11.935 3.962 -13.913 1.00 0.00 C ATOM 191 CG PHE A 18 -13.207 3.289 -14.344 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.412 3.973 -14.317 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.198 1.972 -14.775 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.583 3.355 -14.712 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.367 1.349 -15.171 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.561 2.042 -15.141 1.00 0.00 C ATOM 0 H PHE A 18 -9.717 4.406 -12.870 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.211 4.761 -11.937 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.956 5.002 -14.238 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.093 3.487 -14.417 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.436 5.000 -13.984 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.267 1.426 -14.802 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.516 3.899 -14.685 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.346 0.322 -15.503 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.475 1.559 -15.452 1.00 0.00 H new ATOM 206 N GLN A 19 -11.773 1.494 -12.308 1.00 0.00 N ATOM 207 CA GLN A 19 -12.236 0.193 -11.842 1.00 0.00 C ATOM 208 C GLN A 19 -12.484 0.210 -10.337 1.00 0.00 C ATOM 209 O GLN A 19 -13.406 -0.438 -9.842 1.00 0.00 O ATOM 210 CB GLN A 19 -11.215 -0.891 -12.191 1.00 0.00 C ATOM 211 CG GLN A 19 -10.064 -0.983 -11.202 1.00 0.00 C ATOM 212 CD GLN A 19 -10.349 -1.941 -10.062 1.00 0.00 C ATOM 213 OE1 GLN A 19 -11.219 -2.806 -10.165 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.615 -1.791 -8.965 1.00 0.00 N ATOM 0 H GLN A 19 -11.045 1.452 -13.021 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.177 -0.030 -12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.722 -1.855 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.814 -0.694 -13.185 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.164 -1.306 -11.726 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.859 0.008 -10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.904 -1.060 -8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.762 -2.406 -8.165 1.00 0.00 H new ATOM 223 N SER A 20 -11.653 0.955 -9.614 1.00 0.00 N ATOM 224 CA SER A 20 -11.779 1.053 -8.165 1.00 0.00 C ATOM 225 C SER A 20 -12.510 2.332 -7.768 1.00 0.00 C ATOM 226 O SER A 20 -12.229 3.409 -8.296 1.00 0.00 O ATOM 227 CB SER A 20 -10.398 1.016 -7.508 1.00 0.00 C ATOM 228 OG SER A 20 -10.462 0.433 -6.218 1.00 0.00 O ATOM 0 H SER A 20 -10.886 1.499 -10.008 1.00 0.00 H new ATOM 0 HA SER A 20 -12.362 0.200 -7.817 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.709 0.448 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.000 2.028 -7.434 1.00 0.00 H new ATOM 0 HG SER A 20 -9.566 0.420 -5.820 1.00 0.00 H new ATOM 234 N ARG A 21 -13.448 2.206 -6.836 1.00 0.00 N ATOM 235 CA ARG A 21 -14.220 3.351 -6.369 1.00 0.00 C ATOM 236 C ARG A 21 -13.347 4.300 -5.554 1.00 0.00 C ATOM 237 O ARG A 21 -13.473 4.381 -4.331 1.00 0.00 O ATOM 238 CB ARG A 21 -15.408 2.882 -5.526 1.00 0.00 C ATOM 239 CG ARG A 21 -16.575 2.366 -6.351 1.00 0.00 C ATOM 240 CD ARG A 21 -17.431 3.506 -6.879 1.00 0.00 C ATOM 241 NE ARG A 21 -18.356 4.010 -5.868 1.00 0.00 N ATOM 242 CZ ARG A 21 -19.337 4.867 -6.131 1.00 0.00 C ATOM 243 NH1 ARG A 21 -19.519 5.311 -7.366 1.00 0.00 N ATOM 244 NH2 ARG A 21 -20.138 5.279 -5.157 1.00 0.00 N ATOM 0 H ARG A 21 -13.692 1.322 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.592 3.887 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.075 2.094 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.751 3.710 -4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.199 1.775 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.188 1.702 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.786 4.317 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.994 3.164 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.243 3.687 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.906 4.995 -8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.273 5.969 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.001 4.938 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.891 5.937 -5.360 1.00 0.00 H new ATOM 258 N LEU A 22 -12.461 5.015 -6.239 1.00 0.00 N ATOM 259 CA LEU A 22 -11.566 5.959 -5.579 1.00 0.00 C ATOM 260 C LEU A 22 -10.845 6.832 -6.601 1.00 0.00 C ATOM 261 O LEU A 22 -10.508 6.393 -7.701 1.00 0.00 O ATOM 262 CB LEU A 22 -10.544 5.209 -4.722 1.00 0.00 C ATOM 263 CG LEU A 22 -9.407 4.523 -5.479 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.248 5.485 -5.688 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.943 3.280 -4.734 1.00 0.00 C ATOM 0 H LEU A 22 -12.343 4.959 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.167 6.603 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.109 5.913 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.072 4.455 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.780 4.218 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.448 4.979 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.588 6.345 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.876 5.822 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.133 2.805 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.588 3.561 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.775 2.582 -4.637 1.00 0.00 H new ATOM 277 N PRO A 23 -10.601 8.098 -6.231 1.00 0.00 N ATOM 278 CA PRO A 23 -9.915 9.058 -7.101 1.00 0.00 C ATOM 279 C PRO A 23 -8.439 8.723 -7.284 1.00 0.00 C ATOM 280 O PRO A 23 -7.799 8.178 -6.384 1.00 0.00 O ATOM 281 CB PRO A 23 -10.074 10.387 -6.357 1.00 0.00 C ATOM 282 CG PRO A 23 -10.242 10.002 -4.927 1.00 0.00 C ATOM 283 CD PRO A 23 -10.974 8.689 -4.935 1.00 0.00 C ATOM 0 HA PRO A 23 -10.331 9.065 -8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.201 11.025 -6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.937 10.944 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.275 9.907 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.806 10.760 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.671 8.055 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.052 8.829 -4.853 1.00 0.00 H new ATOM 291 N HIS A 24 -7.903 9.053 -8.455 1.00 0.00 N ATOM 292 CA HIS A 24 -6.501 8.788 -8.756 1.00 0.00 C ATOM 293 C HIS A 24 -5.648 10.030 -8.513 1.00 0.00 C ATOM 294 O HIS A 24 -4.435 9.935 -8.327 1.00 0.00 O ATOM 295 CB HIS A 24 -6.347 8.325 -10.205 1.00 0.00 C ATOM 296 CG HIS A 24 -6.588 9.410 -11.209 1.00 0.00 C ATOM 297 ND1 HIS A 24 -7.770 9.540 -11.908 1.00 0.00 N ATOM 298 CD2 HIS A 24 -5.792 10.421 -11.629 1.00 0.00 C ATOM 299 CE1 HIS A 24 -7.689 10.582 -12.715 1.00 0.00 C ATOM 300 NE2 HIS A 24 -6.499 11.135 -12.565 1.00 0.00 N ATOM 0 H HIS A 24 -8.419 9.504 -9.211 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.156 7.996 -8.091 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.342 7.928 -10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.042 7.507 -10.392 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.787 10.628 -11.291 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.464 10.924 -13.384 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.160 11.958 -13.063 1.00 0.00 H new ATOM 309 N ASP A 25 -6.291 11.192 -8.515 1.00 0.00 N ATOM 310 CA ASP A 25 -5.593 12.453 -8.294 1.00 0.00 C ATOM 311 C ASP A 25 -5.321 12.671 -6.809 1.00 0.00 C ATOM 312 O ASP A 25 -4.327 13.293 -6.435 1.00 0.00 O ATOM 313 CB ASP A 25 -6.411 13.618 -8.852 1.00 0.00 C ATOM 314 CG ASP A 25 -7.891 13.481 -8.556 1.00 0.00 C ATOM 315 OD1 ASP A 25 -8.282 13.678 -7.386 1.00 0.00 O ATOM 316 OD2 ASP A 25 -8.659 13.177 -9.493 1.00 0.00 O ATOM 0 H ASP A 25 -7.295 11.287 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.638 12.407 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.044 14.552 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.263 13.678 -9.930 1.00 0.00 H new ATOM 321 N ARG A 26 -6.211 12.155 -5.968 1.00 0.00 N ATOM 322 CA ARG A 26 -6.069 12.295 -4.524 1.00 0.00 C ATOM 323 C ARG A 26 -6.184 10.940 -3.832 1.00 0.00 C ATOM 324 O ARG A 26 -6.489 9.931 -4.468 1.00 0.00 O ATOM 325 CB ARG A 26 -7.130 13.251 -3.976 1.00 0.00 C ATOM 326 CG ARG A 26 -8.547 12.709 -4.074 1.00 0.00 C ATOM 327 CD ARG A 26 -9.578 13.816 -3.919 1.00 0.00 C ATOM 328 NE ARG A 26 -9.659 14.300 -2.543 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.702 14.964 -2.058 1.00 0.00 C ATOM 330 NH1 ARG A 26 -11.746 15.222 -2.833 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.701 15.372 -0.795 1.00 0.00 N ATOM 0 H ARG A 26 -7.038 11.636 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.080 12.705 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.905 13.470 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.072 14.194 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.683 12.215 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.703 11.954 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.323 14.644 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.555 13.448 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.872 14.118 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.750 14.910 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.546 15.732 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.899 15.176 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.502 15.882 -0.423 1.00 0.00 H new ATOM 345 N MET A 27 -5.936 10.925 -2.526 1.00 0.00 N ATOM 346 CA MET A 27 -6.013 9.693 -1.749 1.00 0.00 C ATOM 347 C MET A 27 -7.324 9.622 -0.972 1.00 0.00 C ATOM 348 O MET A 27 -8.027 10.622 -0.825 1.00 0.00 O ATOM 349 CB MET A 27 -4.829 9.600 -0.784 1.00 0.00 C ATOM 350 CG MET A 27 -3.477 9.693 -1.471 1.00 0.00 C ATOM 351 SD MET A 27 -2.145 10.112 -0.330 1.00 0.00 S ATOM 352 CE MET A 27 -2.195 8.707 0.780 1.00 0.00 C ATOM 0 H MET A 27 -5.680 11.751 -1.984 1.00 0.00 H new ATOM 0 HA MET A 27 -5.976 8.852 -2.442 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.908 10.399 -0.046 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.887 8.657 -0.240 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.252 8.741 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.525 10.445 -2.259 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.439 8.829 1.555 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.180 8.643 1.241 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.996 7.793 0.220 1.00 0.00 H new ATOM 362 N THR A 28 -7.648 8.432 -0.476 1.00 0.00 N ATOM 363 CA THR A 28 -8.875 8.229 0.284 1.00 0.00 C ATOM 364 C THR A 28 -8.572 7.923 1.747 1.00 0.00 C ATOM 365 O THR A 28 -7.431 7.631 2.106 1.00 0.00 O ATOM 366 CB THR A 28 -9.718 7.082 -0.304 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.907 5.915 -0.474 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.322 7.486 -1.641 1.00 0.00 C ATOM 0 H THR A 28 -7.077 7.594 -0.587 1.00 0.00 H new ATOM 0 HA THR A 28 -9.443 9.157 0.219 1.00 0.00 H new ATOM 0 HB THR A 28 -10.528 6.862 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.451 5.190 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.913 6.660 -2.038 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.962 8.357 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.524 7.730 -2.342 1.00 0.00 H new ATOM 376 N SER A 29 -9.600 7.991 2.586 1.00 0.00 N ATOM 377 CA SER A 29 -9.443 7.723 4.011 1.00 0.00 C ATOM 378 C SER A 29 -8.558 6.501 4.240 1.00 0.00 C ATOM 379 O SER A 29 -7.812 6.437 5.216 1.00 0.00 O ATOM 380 CB SER A 29 -10.809 7.508 4.665 1.00 0.00 C ATOM 381 OG SER A 29 -11.458 6.369 4.129 1.00 0.00 O ATOM 0 H SER A 29 -10.551 8.229 2.304 1.00 0.00 H new ATOM 0 HA SER A 29 -8.962 8.588 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.685 7.387 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.431 8.390 4.513 1.00 0.00 H new ATOM 0 HG SER A 29 -12.328 6.253 4.565 1.00 0.00 H new ATOM 387 N GLN A 30 -8.649 5.535 3.332 1.00 0.00 N ATOM 388 CA GLN A 30 -7.859 4.314 3.435 1.00 0.00 C ATOM 389 C GLN A 30 -6.378 4.603 3.209 1.00 0.00 C ATOM 390 O GLN A 30 -5.570 4.507 4.131 1.00 0.00 O ATOM 391 CB GLN A 30 -8.348 3.277 2.422 1.00 0.00 C ATOM 392 CG GLN A 30 -9.444 2.371 2.960 1.00 0.00 C ATOM 393 CD GLN A 30 -9.793 1.247 2.005 1.00 0.00 C ATOM 394 OE1 GLN A 30 -10.963 1.020 1.696 1.00 0.00 O ATOM 395 NE2 GLN A 30 -8.777 0.535 1.531 1.00 0.00 N ATOM 0 H GLN A 30 -9.261 5.574 2.517 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.984 3.915 4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.717 3.793 1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.504 2.664 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.125 1.948 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.336 2.965 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.823 0.758 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.951 -0.234 0.884 1.00 0.00 H new ATOM 404 N GLU A 31 -6.031 4.958 1.975 1.00 0.00 N ATOM 405 CA GLU A 31 -4.648 5.261 1.629 1.00 0.00 C ATOM 406 C GLU A 31 -4.046 6.259 2.614 1.00 0.00 C ATOM 407 O GLU A 31 -2.904 6.109 3.046 1.00 0.00 O ATOM 408 CB GLU A 31 -4.565 5.818 0.206 1.00 0.00 C ATOM 409 CG GLU A 31 -5.066 4.853 -0.855 1.00 0.00 C ATOM 410 CD GLU A 31 -5.410 5.547 -2.159 1.00 0.00 C ATOM 411 OE1 GLU A 31 -4.718 6.525 -2.511 1.00 0.00 O ATOM 412 OE2 GLU A 31 -6.371 5.111 -2.826 1.00 0.00 O ATOM 0 H GLU A 31 -6.688 5.042 1.200 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.076 4.335 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.146 6.739 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.530 6.080 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.304 4.096 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.948 4.333 -0.481 1.00 0.00 H new ATOM 419 N ALA A 32 -4.824 7.279 2.962 1.00 0.00 N ATOM 420 CA ALA A 32 -4.369 8.302 3.896 1.00 0.00 C ATOM 421 C ALA A 32 -4.049 7.698 5.259 1.00 0.00 C ATOM 422 O ALA A 32 -3.102 8.113 5.926 1.00 0.00 O ATOM 423 CB ALA A 32 -5.419 9.395 4.034 1.00 0.00 C ATOM 0 H ALA A 32 -5.772 7.419 2.611 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.454 8.741 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.066 10.152 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.596 9.854 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.348 8.962 4.405 1.00 0.00 H new ATOM 429 N ALA A 33 -4.846 6.715 5.667 1.00 0.00 N ATOM 430 CA ALA A 33 -4.646 6.053 6.950 1.00 0.00 C ATOM 431 C ALA A 33 -3.401 5.173 6.926 1.00 0.00 C ATOM 432 O ALA A 33 -2.619 5.161 7.878 1.00 0.00 O ATOM 433 CB ALA A 33 -5.871 5.228 7.315 1.00 0.00 C ATOM 0 H ALA A 33 -5.636 6.360 5.128 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.500 6.822 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.708 4.739 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.742 5.880 7.383 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.043 4.473 6.548 1.00 0.00 H new ATOM 439 N CYS A 34 -3.224 4.437 5.835 1.00 0.00 N ATOM 440 CA CYS A 34 -2.073 3.552 5.688 1.00 0.00 C ATOM 441 C CYS A 34 -0.785 4.355 5.540 1.00 0.00 C ATOM 442 O CYS A 34 0.233 4.035 6.154 1.00 0.00 O ATOM 443 CB CYS A 34 -2.260 2.636 4.477 1.00 0.00 C ATOM 444 SG CYS A 34 -3.079 1.070 4.856 1.00 0.00 S ATOM 0 H CYS A 34 -3.862 4.435 5.039 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.997 2.942 6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.842 3.164 3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.284 2.427 4.039 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.660 0.152 4.037 1.00 0.00 H new ATOM 450 N PHE A 35 -0.836 5.399 4.719 1.00 0.00 N ATOM 451 CA PHE A 35 0.328 6.247 4.488 1.00 0.00 C ATOM 452 C PHE A 35 0.065 7.674 4.961 1.00 0.00 C ATOM 453 O PHE A 35 -0.413 8.525 4.211 1.00 0.00 O ATOM 454 CB PHE A 35 0.697 6.250 3.003 1.00 0.00 C ATOM 455 CG PHE A 35 0.780 4.875 2.403 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.368 4.133 2.177 1.00 0.00 C ATOM 457 CD2 PHE A 35 2.006 4.325 2.066 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.294 2.868 1.626 1.00 0.00 C ATOM 459 CE2 PHE A 35 2.087 3.061 1.515 1.00 0.00 C ATOM 460 CZ PHE A 35 0.935 2.331 1.293 1.00 0.00 C ATOM 0 H PHE A 35 -1.670 5.678 4.203 1.00 0.00 H new ATOM 0 HA PHE A 35 1.161 5.841 5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.043 6.833 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.656 6.752 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.331 4.548 2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.910 4.892 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.196 2.299 1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.049 2.644 1.258 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.995 1.343 0.860 1.00 0.00 H new ATOM 470 N PRO A 36 0.383 7.942 6.236 1.00 0.00 N ATOM 471 CA PRO A 36 0.189 9.264 6.839 1.00 0.00 C ATOM 472 C PRO A 36 1.153 10.304 6.277 1.00 0.00 C ATOM 473 O PRO A 36 0.755 11.425 5.959 1.00 0.00 O ATOM 474 CB PRO A 36 0.470 9.022 8.324 1.00 0.00 C ATOM 475 CG PRO A 36 1.370 7.835 8.350 1.00 0.00 C ATOM 476 CD PRO A 36 0.956 6.975 7.187 1.00 0.00 C ATOM 0 HA PRO A 36 -0.806 9.661 6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.945 9.889 8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.451 8.833 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.414 8.135 8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.273 7.292 9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.805 6.444 6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.226 6.222 7.484 1.00 0.00 H new ATOM 484 N ASP A 37 2.420 9.925 6.156 1.00 0.00 N ATOM 485 CA ASP A 37 3.440 10.825 5.631 1.00 0.00 C ATOM 486 C ASP A 37 3.067 11.313 4.234 1.00 0.00 C ATOM 487 O ASP A 37 3.226 12.492 3.916 1.00 0.00 O ATOM 488 CB ASP A 37 4.799 10.123 5.593 1.00 0.00 C ATOM 489 CG ASP A 37 5.788 10.825 4.684 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.152 11.982 4.983 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.199 10.218 3.673 1.00 0.00 O ATOM 0 H ASP A 37 2.766 9.001 6.414 1.00 0.00 H new ATOM 0 HA ASP A 37 3.504 11.688 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.208 10.075 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.665 9.096 5.254 1.00 0.00 H new ATOM 496 N ILE A 38 2.573 10.399 3.406 1.00 0.00 N ATOM 497 CA ILE A 38 2.178 10.737 2.045 1.00 0.00 C ATOM 498 C ILE A 38 1.031 11.742 2.038 1.00 0.00 C ATOM 499 O ILE A 38 1.131 12.810 1.434 1.00 0.00 O ATOM 500 CB ILE A 38 1.753 9.485 1.254 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.891 8.463 1.227 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.342 9.866 -0.160 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.199 9.027 0.718 1.00 0.00 C ATOM 0 H ILE A 38 2.437 9.419 3.654 1.00 0.00 H new ATOM 0 HA ILE A 38 3.050 11.181 1.565 1.00 0.00 H new ATOM 0 HB ILE A 38 0.895 9.033 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.041 8.072 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.598 7.622 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.045 8.971 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.504 10.562 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.182 10.339 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.960 8.246 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.066 9.393 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.515 9.849 1.360 1.00 0.00 H new ATOM 515 N ILE A 39 -0.058 11.393 2.716 1.00 0.00 N ATOM 516 CA ILE A 39 -1.223 12.266 2.791 1.00 0.00 C ATOM 517 C ILE A 39 -0.876 13.589 3.464 1.00 0.00 C ATOM 518 O ILE A 39 -1.398 14.641 3.094 1.00 0.00 O ATOM 519 CB ILE A 39 -2.378 11.598 3.561 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.608 12.508 3.569 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.946 11.270 4.983 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.344 12.539 2.248 1.00 0.00 C ATOM 0 H ILE A 39 -0.157 10.512 3.221 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.542 12.456 1.766 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.641 10.668 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.292 12.174 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.299 13.521 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.772 10.799 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.096 10.589 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.660 12.188 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.204 13.204 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.675 12.902 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.684 11.534 1.997 1.00 0.00 H new ATOM 534 N SER A 40 0.009 13.529 4.454 1.00 0.00 N ATOM 535 CA SER A 40 0.425 14.723 5.180 1.00 0.00 C ATOM 536 C SER A 40 1.633 15.373 4.512 1.00 0.00 C ATOM 537 O SER A 40 2.419 16.062 5.161 1.00 0.00 O ATOM 538 CB SER A 40 0.758 14.372 6.632 1.00 0.00 C ATOM 539 OG SER A 40 -0.328 13.712 7.259 1.00 0.00 O ATOM 0 H SER A 40 0.452 12.667 4.771 1.00 0.00 H new ATOM 0 HA SER A 40 -0.402 15.433 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.641 13.734 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.002 15.281 7.182 1.00 0.00 H new ATOM 0 HG SER A 40 -0.283 12.752 7.065 1.00 0.00 H new ATOM 545 N GLY A 41 1.774 15.146 3.210 1.00 0.00 N ATOM 546 CA GLY A 41 2.888 15.715 2.474 1.00 0.00 C ATOM 547 C GLY A 41 2.436 16.583 1.316 1.00 0.00 C ATOM 548 O GLY A 41 1.245 16.691 1.021 1.00 0.00 O ATOM 0 H GLY A 41 1.137 14.578 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.501 16.309 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.519 14.910 2.096 1.00 0.00 H new ATOM 552 N PRO A 42 3.401 17.222 0.639 1.00 0.00 N ATOM 553 CA PRO A 42 3.119 18.097 -0.503 1.00 0.00 C ATOM 554 C PRO A 42 2.641 17.320 -1.725 1.00 0.00 C ATOM 555 O PRO A 42 3.043 16.177 -1.940 1.00 0.00 O ATOM 556 CB PRO A 42 4.471 18.758 -0.785 1.00 0.00 C ATOM 557 CG PRO A 42 5.480 17.798 -0.257 1.00 0.00 C ATOM 558 CD PRO A 42 4.841 17.140 0.935 1.00 0.00 C ATOM 0 HA PRO A 42 2.319 18.805 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.611 18.933 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.549 19.726 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.749 17.060 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.398 18.313 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.170 16.107 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.091 17.657 1.861 1.00 0.00 H new ATOM 566 N GLN A 43 1.782 17.948 -2.521 1.00 0.00 N ATOM 567 CA GLN A 43 1.249 17.314 -3.721 1.00 0.00 C ATOM 568 C GLN A 43 2.320 16.480 -4.417 1.00 0.00 C ATOM 569 O GLN A 43 2.106 15.307 -4.720 1.00 0.00 O ATOM 570 CB GLN A 43 0.705 18.371 -4.683 1.00 0.00 C ATOM 571 CG GLN A 43 -0.763 18.697 -4.461 1.00 0.00 C ATOM 572 CD GLN A 43 -0.973 19.744 -3.384 1.00 0.00 C ATOM 573 OE1 GLN A 43 -0.976 19.433 -2.193 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.149 20.993 -3.799 1.00 0.00 N ATOM 0 H GLN A 43 1.440 18.895 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 43 0.436 16.653 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.291 19.284 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.841 18.023 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.198 19.051 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.296 17.787 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.139 21.205 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.294 21.740 -3.120 1.00 0.00 H new ATOM 583 N GLN A 44 3.472 17.094 -4.667 1.00 0.00 N ATOM 584 CA GLN A 44 4.575 16.407 -5.328 1.00 0.00 C ATOM 585 C GLN A 44 4.738 14.991 -4.786 1.00 0.00 C ATOM 586 O GLN A 44 4.882 14.035 -5.549 1.00 0.00 O ATOM 587 CB GLN A 44 5.876 17.190 -5.141 1.00 0.00 C ATOM 588 CG GLN A 44 7.125 16.375 -5.439 1.00 0.00 C ATOM 589 CD GLN A 44 7.680 15.687 -4.208 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.409 16.291 -3.421 1.00 0.00 O ATOM 591 NE2 GLN A 44 7.337 14.416 -4.034 1.00 0.00 N ATOM 0 H GLN A 44 3.666 18.065 -4.422 1.00 0.00 H new ATOM 0 HA GLN A 44 4.346 16.345 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.860 18.065 -5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.926 17.555 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.893 15.626 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.889 17.029 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.730 13.954 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.680 13.902 -3.223 1.00 0.00 H new ATOM 600 N THR A 45 4.714 14.862 -3.463 1.00 0.00 N ATOM 601 CA THR A 45 4.861 13.563 -2.819 1.00 0.00 C ATOM 602 C THR A 45 3.625 12.698 -3.040 1.00 0.00 C ATOM 603 O THR A 45 3.731 11.545 -3.458 1.00 0.00 O ATOM 604 CB THR A 45 5.106 13.711 -1.306 1.00 0.00 C ATOM 605 OG1 THR A 45 6.396 14.286 -1.072 1.00 0.00 O ATOM 606 CG2 THR A 45 5.012 12.362 -0.608 1.00 0.00 C ATOM 0 H THR A 45 4.594 15.642 -2.817 1.00 0.00 H new ATOM 0 HA THR A 45 5.726 13.080 -3.274 1.00 0.00 H new ATOM 0 HB THR A 45 4.337 14.368 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.543 14.378 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.189 12.492 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.019 11.941 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.761 11.686 -1.020 1.00 0.00 H new ATOM 614 N GLN A 46 2.455 13.261 -2.757 1.00 0.00 N ATOM 615 CA GLN A 46 1.200 12.540 -2.926 1.00 0.00 C ATOM 616 C GLN A 46 1.113 11.913 -4.314 1.00 0.00 C ATOM 617 O GLN A 46 0.665 10.777 -4.467 1.00 0.00 O ATOM 618 CB GLN A 46 0.013 13.479 -2.702 1.00 0.00 C ATOM 619 CG GLN A 46 -0.230 13.815 -1.240 1.00 0.00 C ATOM 620 CD GLN A 46 -1.412 14.744 -1.043 1.00 0.00 C ATOM 621 OE1 GLN A 46 -2.013 15.216 -2.009 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.753 15.011 0.212 1.00 0.00 N ATOM 0 H GLN A 46 2.350 14.214 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 46 1.167 11.741 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.182 14.403 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.885 13.020 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.400 12.894 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.665 14.278 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.227 14.598 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.541 15.629 0.406 1.00 0.00 H new ATOM 631 N LYS A 47 1.546 12.662 -5.323 1.00 0.00 N ATOM 632 CA LYS A 47 1.519 12.181 -6.699 1.00 0.00 C ATOM 633 C LYS A 47 2.414 10.957 -6.865 1.00 0.00 C ATOM 634 O LYS A 47 2.029 9.976 -7.500 1.00 0.00 O ATOM 635 CB LYS A 47 1.967 13.288 -7.656 1.00 0.00 C ATOM 636 CG LYS A 47 1.034 14.486 -7.680 1.00 0.00 C ATOM 637 CD LYS A 47 1.332 15.402 -8.854 1.00 0.00 C ATOM 638 CE LYS A 47 2.561 16.260 -8.594 1.00 0.00 C ATOM 639 NZ LYS A 47 2.704 17.346 -9.603 1.00 0.00 N ATOM 0 H LYS A 47 1.920 13.605 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 47 0.495 11.895 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.965 13.621 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.043 12.877 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.001 14.143 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.132 15.043 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.487 14.805 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.472 16.044 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.495 16.697 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.452 15.632 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.553 17.908 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.793 16.929 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.866 17.961 -9.572 1.00 0.00 H new ATOM 653 N VAL A 48 3.611 11.022 -6.289 1.00 0.00 N ATOM 654 CA VAL A 48 4.560 9.919 -6.372 1.00 0.00 C ATOM 655 C VAL A 48 3.936 8.619 -5.876 1.00 0.00 C ATOM 656 O VAL A 48 4.139 7.556 -6.463 1.00 0.00 O ATOM 657 CB VAL A 48 5.831 10.209 -5.553 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.764 9.008 -5.570 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.535 11.449 -6.084 1.00 0.00 C ATOM 0 H VAL A 48 3.946 11.827 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 48 4.830 9.812 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 48 5.541 10.398 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.657 9.232 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.255 8.146 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.050 8.784 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.431 11.639 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.814 11.291 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.865 12.306 -6.013 1.00 0.00 H new ATOM 669 N PHE A 49 3.173 8.711 -4.792 1.00 0.00 N ATOM 670 CA PHE A 49 2.518 7.542 -4.216 1.00 0.00 C ATOM 671 C PHE A 49 1.269 7.172 -5.010 1.00 0.00 C ATOM 672 O PHE A 49 1.003 5.995 -5.257 1.00 0.00 O ATOM 673 CB PHE A 49 2.148 7.807 -2.755 1.00 0.00 C ATOM 674 CG PHE A 49 0.976 6.998 -2.278 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.320 7.399 -2.559 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.170 5.836 -1.548 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.401 6.656 -2.122 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.093 5.089 -1.109 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.194 5.500 -1.395 1.00 0.00 C ATOM 0 H PHE A 49 2.993 9.583 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 49 3.216 6.706 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.010 7.589 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.922 8.866 -2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.488 8.303 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.174 5.510 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.406 6.979 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.258 4.184 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.037 4.919 -1.051 1.00 0.00 H new ATOM 689 N LEU A 50 0.507 8.184 -5.408 1.00 0.00 N ATOM 690 CA LEU A 50 -0.715 7.967 -6.175 1.00 0.00 C ATOM 691 C LEU A 50 -0.403 7.346 -7.532 1.00 0.00 C ATOM 692 O LEU A 50 -1.294 6.839 -8.215 1.00 0.00 O ATOM 693 CB LEU A 50 -1.463 9.288 -6.365 1.00 0.00 C ATOM 694 CG LEU A 50 -2.299 9.763 -5.176 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.786 11.186 -5.402 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.474 8.825 -4.942 1.00 0.00 C ATOM 0 H LEU A 50 0.713 9.164 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.347 7.276 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.735 10.063 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.120 9.189 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.670 9.753 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.379 11.508 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.929 11.849 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.399 11.222 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.058 9.178 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.104 8.802 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.103 7.821 -4.735 1.00 0.00 H new ATOM 708 N PHE A 51 0.868 7.386 -7.918 1.00 0.00 N ATOM 709 CA PHE A 51 1.299 6.826 -9.193 1.00 0.00 C ATOM 710 C PHE A 51 1.788 5.391 -9.020 1.00 0.00 C ATOM 711 O PHE A 51 1.508 4.525 -9.848 1.00 0.00 O ATOM 712 CB PHE A 51 2.408 7.685 -9.803 1.00 0.00 C ATOM 713 CG PHE A 51 2.878 7.195 -11.143 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.582 6.007 -11.253 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.615 7.923 -12.293 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.015 5.553 -12.485 1.00 0.00 C ATOM 717 CE2 PHE A 51 3.046 7.474 -13.527 1.00 0.00 C ATOM 718 CZ PHE A 51 3.748 6.288 -13.623 1.00 0.00 C ATOM 0 H PHE A 51 1.618 7.801 -7.365 1.00 0.00 H new ATOM 0 HA PHE A 51 0.442 6.820 -9.866 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.049 8.709 -9.905 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.255 7.711 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.795 5.429 -10.366 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.067 8.851 -12.224 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.562 4.624 -12.557 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.834 8.050 -14.416 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.087 5.936 -14.586 1.00 0.00 H new ATOM 728 N ILE A 52 2.521 5.149 -7.939 1.00 0.00 N ATOM 729 CA ILE A 52 3.049 3.821 -7.656 1.00 0.00 C ATOM 730 C ILE A 52 1.925 2.799 -7.526 1.00 0.00 C ATOM 731 O ILE A 52 2.034 1.675 -8.016 1.00 0.00 O ATOM 732 CB ILE A 52 3.889 3.811 -6.365 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.149 4.661 -6.544 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.255 2.385 -5.981 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.699 5.207 -5.245 1.00 0.00 C ATOM 0 H ILE A 52 2.763 5.856 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 52 3.688 3.550 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 52 3.294 4.241 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.917 4.060 -7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.925 5.492 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.848 2.395 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.345 1.808 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.834 1.929 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.591 5.799 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.947 5.835 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.955 4.380 -4.582 1.00 0.00 H new ATOM 747 N ARG A 53 0.845 3.197 -6.863 1.00 0.00 N ATOM 748 CA ARG A 53 -0.301 2.316 -6.668 1.00 0.00 C ATOM 749 C ARG A 53 -1.015 2.053 -7.991 1.00 0.00 C ATOM 750 O ARG A 53 -1.229 0.904 -8.374 1.00 0.00 O ATOM 751 CB ARG A 53 -1.277 2.928 -5.662 1.00 0.00 C ATOM 752 CG ARG A 53 -2.602 2.190 -5.573 1.00 0.00 C ATOM 753 CD ARG A 53 -3.738 3.128 -5.196 1.00 0.00 C ATOM 754 NE ARG A 53 -4.373 3.718 -6.371 1.00 0.00 N ATOM 755 CZ ARG A 53 -5.024 4.876 -6.351 1.00 0.00 C ATOM 756 NH1 ARG A 53 -5.125 5.564 -5.223 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.574 5.348 -7.462 1.00 0.00 N ATOM 0 H ARG A 53 0.739 4.124 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 53 0.065 1.367 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.810 2.940 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.466 3.965 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.821 1.717 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.527 1.393 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.483 2.581 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.355 3.921 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.314 3.214 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.702 5.205 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.625 6.453 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.497 4.822 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.074 6.237 -7.446 1.00 0.00 H new ATOM 771 N ASN A 54 -1.382 3.127 -8.683 1.00 0.00 N ATOM 772 CA ASN A 54 -2.073 3.012 -9.962 1.00 0.00 C ATOM 773 C ASN A 54 -1.286 2.133 -10.929 1.00 0.00 C ATOM 774 O ASN A 54 -1.840 1.226 -11.551 1.00 0.00 O ATOM 775 CB ASN A 54 -2.289 4.397 -10.575 1.00 0.00 C ATOM 776 CG ASN A 54 -3.531 5.081 -10.036 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.591 4.466 -9.921 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.404 6.360 -9.702 1.00 0.00 N ATOM 0 H ASN A 54 -1.212 4.086 -8.380 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.042 2.546 -9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.418 5.020 -10.373 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.370 4.303 -11.658 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.205 6.873 -9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.506 6.830 -9.814 1.00 0.00 H new ATOM 785 N ARG A 55 0.009 2.408 -11.049 1.00 0.00 N ATOM 786 CA ARG A 55 0.872 1.642 -11.941 1.00 0.00 C ATOM 787 C ARG A 55 0.922 0.176 -11.523 1.00 0.00 C ATOM 788 O ARG A 55 0.836 -0.723 -12.360 1.00 0.00 O ATOM 789 CB ARG A 55 2.285 2.230 -11.946 1.00 0.00 C ATOM 790 CG ARG A 55 3.195 1.620 -12.999 1.00 0.00 C ATOM 791 CD ARG A 55 2.925 2.207 -14.376 1.00 0.00 C ATOM 792 NE ARG A 55 3.706 1.543 -15.416 1.00 0.00 N ATOM 793 CZ ARG A 55 3.305 0.447 -16.050 1.00 0.00 C ATOM 794 NH1 ARG A 55 2.138 -0.106 -15.750 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.072 -0.099 -16.985 1.00 0.00 N ATOM 0 H ARG A 55 0.483 3.154 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 55 0.457 1.701 -12.947 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.221 3.305 -12.112 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.733 2.085 -10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.236 1.793 -12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.048 0.540 -13.027 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.863 2.117 -14.607 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.161 3.271 -14.369 1.00 0.00 H new ATOM 0 HE ARG A 55 4.609 1.943 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.546 0.310 -15.031 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.832 -0.948 -16.238 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.971 0.323 -17.218 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.763 -0.941 -17.471 1.00 0.00 H new ATOM 809 N THR A 56 1.062 -0.059 -10.222 1.00 0.00 N ATOM 810 CA THR A 56 1.125 -1.416 -9.693 1.00 0.00 C ATOM 811 C THR A 56 -0.038 -2.259 -10.202 1.00 0.00 C ATOM 812 O THR A 56 0.132 -3.432 -10.537 1.00 0.00 O ATOM 813 CB THR A 56 1.112 -1.419 -8.153 1.00 0.00 C ATOM 814 OG1 THR A 56 2.265 -0.736 -7.651 1.00 0.00 O ATOM 815 CG2 THR A 56 1.085 -2.842 -7.615 1.00 0.00 C ATOM 0 H THR A 56 1.134 0.673 -9.515 1.00 0.00 H new ATOM 0 HA THR A 56 2.063 -1.848 -10.042 1.00 0.00 H new ATOM 0 HB THR A 56 0.212 -0.903 -7.819 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.035 0.197 -7.459 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.076 -2.819 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.190 -3.350 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.969 -3.378 -7.959 1.00 0.00 H new ATOM 823 N LEU A 57 -1.220 -1.655 -10.258 1.00 0.00 N ATOM 824 CA LEU A 57 -2.413 -2.351 -10.728 1.00 0.00 C ATOM 825 C LEU A 57 -2.347 -2.590 -12.233 1.00 0.00 C ATOM 826 O LEU A 57 -2.577 -3.704 -12.704 1.00 0.00 O ATOM 827 CB LEU A 57 -3.667 -1.546 -10.383 1.00 0.00 C ATOM 828 CG LEU A 57 -4.207 -1.721 -8.963 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.161 -0.590 -8.611 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.898 -3.068 -8.818 1.00 0.00 C ATOM 0 H LEU A 57 -1.378 -0.685 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.460 -3.318 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.451 -0.489 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.454 -1.819 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.367 -1.689 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.535 -0.732 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.635 0.363 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.998 -0.589 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.276 -3.175 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.728 -3.129 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.186 -3.867 -9.027 1.00 0.00 H new ATOM 842 N GLN A 58 -2.030 -1.538 -12.981 1.00 0.00 N ATOM 843 CA GLN A 58 -1.932 -1.635 -14.432 1.00 0.00 C ATOM 844 C GLN A 58 -1.277 -2.948 -14.848 1.00 0.00 C ATOM 845 O GLN A 58 -1.840 -3.714 -15.632 1.00 0.00 O ATOM 846 CB GLN A 58 -1.134 -0.455 -14.990 1.00 0.00 C ATOM 847 CG GLN A 58 -1.973 0.791 -15.222 1.00 0.00 C ATOM 848 CD GLN A 58 -2.598 0.825 -16.603 1.00 0.00 C ATOM 849 OE1 GLN A 58 -1.896 0.830 -17.615 1.00 0.00 O ATOM 850 NE2 GLN A 58 -3.925 0.849 -16.652 1.00 0.00 N ATOM 0 H GLN A 58 -1.837 -0.609 -12.606 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.942 -1.609 -14.841 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.325 -0.215 -14.300 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.672 -0.752 -15.931 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.760 0.839 -14.470 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.349 1.675 -15.088 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.467 0.844 -15.788 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.402 0.873 -17.553 1.00 0.00 H new ATOM 859 N LEU A 59 -0.086 -3.203 -14.317 1.00 0.00 N ATOM 860 CA LEU A 59 0.646 -4.425 -14.633 1.00 0.00 C ATOM 861 C LEU A 59 -0.149 -5.659 -14.219 1.00 0.00 C ATOM 862 O LEU A 59 -0.096 -6.695 -14.881 1.00 0.00 O ATOM 863 CB LEU A 59 2.007 -4.423 -13.934 1.00 0.00 C ATOM 864 CG LEU A 59 2.841 -3.152 -14.094 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.871 -3.045 -12.980 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.521 -3.128 -15.456 1.00 0.00 C ATOM 0 H LEU A 59 0.393 -2.581 -13.666 1.00 0.00 H new ATOM 0 HA LEU A 59 0.798 -4.459 -15.712 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.847 -4.597 -12.870 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.588 -5.265 -14.311 1.00 0.00 H new ATOM 0 HG LEU A 59 2.174 -2.292 -14.028 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.455 -2.134 -13.111 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.363 -3.015 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.534 -3.909 -13.014 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.110 -2.216 -15.552 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.175 -3.995 -15.551 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.765 -3.156 -16.241 1.00 0.00 H new ATOM 878 N TRP A 60 -0.886 -5.540 -13.121 1.00 0.00 N ATOM 879 CA TRP A 60 -1.695 -6.645 -12.619 1.00 0.00 C ATOM 880 C TRP A 60 -2.909 -6.880 -13.511 1.00 0.00 C ATOM 881 O TRP A 60 -3.369 -8.012 -13.665 1.00 0.00 O ATOM 882 CB TRP A 60 -2.147 -6.364 -11.185 1.00 0.00 C ATOM 883 CG TRP A 60 -3.408 -7.082 -10.808 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.676 -6.575 -10.827 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.521 -8.435 -10.355 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.571 -7.532 -10.413 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.887 -8.682 -10.118 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.601 -9.463 -10.128 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.353 -9.913 -9.665 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -3.065 -10.684 -9.678 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.431 -10.901 -9.451 1.00 0.00 C ATOM 0 H TRP A 60 -0.940 -4.689 -12.561 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.081 -7.545 -12.629 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.353 -6.655 -10.498 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.298 -5.291 -11.063 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.937 -5.570 -11.124 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.580 -7.407 -10.338 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.547 -9.305 -10.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.405 -10.082 -9.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.363 -11.485 -9.498 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.762 -11.867 -9.100 1.00 0.00 H new ATOM 902 N LEU A 61 -3.424 -5.805 -14.097 1.00 0.00 N ATOM 903 CA LEU A 61 -4.586 -5.895 -14.975 1.00 0.00 C ATOM 904 C LEU A 61 -4.255 -6.685 -16.237 1.00 0.00 C ATOM 905 O LEU A 61 -5.130 -7.311 -16.837 1.00 0.00 O ATOM 906 CB LEU A 61 -5.075 -4.495 -15.350 1.00 0.00 C ATOM 907 CG LEU A 61 -6.120 -3.878 -14.420 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.457 -2.461 -14.860 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.375 -4.738 -14.382 1.00 0.00 C ATOM 0 H LEU A 61 -3.056 -4.861 -13.980 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.377 -6.418 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.213 -3.829 -15.388 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.492 -4.535 -16.356 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.702 -3.835 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.202 -2.038 -14.186 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.556 -1.848 -14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.855 -2.480 -15.875 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.108 -4.283 -13.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.795 -4.813 -15.385 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.123 -5.734 -14.019 1.00 0.00 H new ATOM 921 N ASP A 62 -2.987 -6.655 -16.633 1.00 0.00 N ATOM 922 CA ASP A 62 -2.540 -7.371 -17.821 1.00 0.00 C ATOM 923 C ASP A 62 -1.958 -8.731 -17.449 1.00 0.00 C ATOM 924 O ASP A 62 -1.852 -9.623 -18.290 1.00 0.00 O ATOM 925 CB ASP A 62 -1.497 -6.546 -18.578 1.00 0.00 C ATOM 926 CG ASP A 62 -1.401 -6.936 -20.040 1.00 0.00 C ATOM 927 OD1 ASP A 62 -2.360 -6.662 -20.791 1.00 0.00 O ATOM 928 OD2 ASP A 62 -0.366 -7.515 -20.433 1.00 0.00 O ATOM 0 H ASP A 62 -2.251 -6.142 -16.148 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.404 -7.530 -18.466 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.750 -5.488 -18.503 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.523 -6.675 -18.106 1.00 0.00 H new ATOM 933 N ASN A 63 -1.580 -8.881 -16.184 1.00 0.00 N ATOM 934 CA ASN A 63 -1.007 -10.132 -15.700 1.00 0.00 C ATOM 935 C ASN A 63 -1.715 -10.601 -14.433 1.00 0.00 C ATOM 936 O ASN A 63 -1.087 -11.011 -13.457 1.00 0.00 O ATOM 937 CB ASN A 63 0.489 -9.960 -15.428 1.00 0.00 C ATOM 938 CG ASN A 63 1.344 -10.401 -16.600 1.00 0.00 C ATOM 939 OD1 ASN A 63 1.761 -9.584 -17.421 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.609 -11.700 -16.684 1.00 0.00 N ATOM 0 H ASN A 63 -1.660 -8.152 -15.475 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.145 -10.889 -16.473 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.697 -8.914 -15.204 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.763 -10.536 -14.544 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.179 -12.056 -17.452 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.243 -12.342 -15.981 1.00 0.00 H new ATOM 947 N PRO A 64 -3.055 -10.541 -14.447 1.00 0.00 N ATOM 948 CA PRO A 64 -3.878 -10.957 -13.308 1.00 0.00 C ATOM 949 C PRO A 64 -3.851 -12.466 -13.093 1.00 0.00 C ATOM 950 O PRO A 64 -4.254 -12.961 -12.040 1.00 0.00 O ATOM 951 CB PRO A 64 -5.285 -10.498 -13.701 1.00 0.00 C ATOM 952 CG PRO A 64 -5.268 -10.457 -15.190 1.00 0.00 C ATOM 953 CD PRO A 64 -3.870 -10.063 -15.577 1.00 0.00 C ATOM 0 HA PRO A 64 -3.521 -10.530 -12.370 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.044 -11.188 -13.333 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.514 -9.519 -13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.530 -11.428 -15.610 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.995 -9.739 -15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.567 -10.527 -16.516 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.779 -8.985 -15.711 1.00 0.00 H new ATOM 961 N LYS A 65 -3.372 -13.194 -14.097 1.00 0.00 N ATOM 962 CA LYS A 65 -3.290 -14.647 -14.017 1.00 0.00 C ATOM 963 C LYS A 65 -1.990 -15.083 -13.349 1.00 0.00 C ATOM 964 O LYS A 65 -1.676 -16.272 -13.298 1.00 0.00 O ATOM 965 CB LYS A 65 -3.388 -15.261 -15.416 1.00 0.00 C ATOM 966 CG LYS A 65 -2.372 -14.703 -16.397 1.00 0.00 C ATOM 967 CD LYS A 65 -2.100 -15.676 -17.532 1.00 0.00 C ATOM 968 CE LYS A 65 -1.262 -16.856 -17.065 1.00 0.00 C ATOM 969 NZ LYS A 65 0.197 -16.597 -17.219 1.00 0.00 N ATOM 0 H LYS A 65 -3.035 -12.801 -14.976 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.125 -15.000 -13.412 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.253 -16.340 -15.340 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.391 -15.092 -15.809 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.738 -13.760 -16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.441 -14.484 -15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.045 -16.037 -17.937 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.583 -15.159 -18.340 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.485 -17.068 -16.019 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.535 -17.744 -17.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.732 -17.254 -16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.472 -16.738 -18.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.407 -15.618 -16.937 1.00 0.00 H new ATOM 983 N ILE A 66 -1.239 -14.113 -12.837 1.00 0.00 N ATOM 984 CA ILE A 66 0.025 -14.398 -12.170 1.00 0.00 C ATOM 985 C ILE A 66 0.227 -13.489 -10.963 1.00 0.00 C ATOM 986 O ILE A 66 -0.402 -12.436 -10.855 1.00 0.00 O ATOM 987 CB ILE A 66 1.218 -14.231 -13.129 1.00 0.00 C ATOM 988 CG1 ILE A 66 1.389 -12.760 -13.515 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.025 -15.090 -14.370 1.00 0.00 C ATOM 990 CD1 ILE A 66 2.738 -12.447 -14.122 1.00 0.00 C ATOM 0 H ILE A 66 -1.484 -13.124 -12.872 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.021 -15.435 -11.837 1.00 0.00 H new ATOM 0 HB ILE A 66 2.123 -14.561 -12.619 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.608 -12.486 -14.224 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.246 -12.141 -12.629 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.877 -14.961 -15.038 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.948 -16.138 -14.079 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.112 -14.788 -14.883 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.788 -11.387 -14.371 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.524 -12.689 -13.407 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.876 -13.039 -15.027 1.00 0.00 H new ATOM 1002 N GLN A 67 1.109 -13.902 -10.058 1.00 0.00 N ATOM 1003 CA GLN A 67 1.394 -13.123 -8.859 1.00 0.00 C ATOM 1004 C GLN A 67 2.348 -11.975 -9.170 1.00 0.00 C ATOM 1005 O GLN A 67 3.383 -12.169 -9.809 1.00 0.00 O ATOM 1006 CB GLN A 67 1.993 -14.020 -7.774 1.00 0.00 C ATOM 1007 CG GLN A 67 3.464 -14.336 -7.989 1.00 0.00 C ATOM 1008 CD GLN A 67 3.733 -14.972 -9.339 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.231 -16.055 -9.639 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.528 -14.299 -10.162 1.00 0.00 N ATOM 0 H GLN A 67 1.638 -14.771 -10.132 1.00 0.00 H new ATOM 0 HA GLN A 67 0.456 -12.703 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.872 -13.535 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.431 -14.953 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.045 -13.418 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.807 -15.007 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.922 -13.404 -9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.744 -14.677 -11.084 1.00 0.00 H new ATOM 1019 N LEU A 68 1.993 -10.778 -8.714 1.00 0.00 N ATOM 1020 CA LEU A 68 2.818 -9.597 -8.943 1.00 0.00 C ATOM 1021 C LEU A 68 3.710 -9.314 -7.739 1.00 0.00 C ATOM 1022 O LEU A 68 3.285 -8.680 -6.772 1.00 0.00 O ATOM 1023 CB LEU A 68 1.935 -8.383 -9.235 1.00 0.00 C ATOM 1024 CG LEU A 68 2.651 -7.147 -9.781 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.218 -7.426 -11.164 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.705 -5.956 -9.820 1.00 0.00 C ATOM 0 H LEU A 68 1.140 -10.600 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 68 3.455 -9.791 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.169 -8.680 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.421 -8.104 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 68 3.479 -6.906 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.724 -6.535 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.929 -8.250 -11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.408 -7.693 -11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.232 -5.086 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.856 -6.186 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.348 -5.742 -8.813 1.00 0.00 H new ATOM 1038 N THR A 69 4.952 -9.785 -7.804 1.00 0.00 N ATOM 1039 CA THR A 69 5.905 -9.581 -6.721 1.00 0.00 C ATOM 1040 C THR A 69 6.306 -8.115 -6.609 1.00 0.00 C ATOM 1041 O THR A 69 6.001 -7.309 -7.489 1.00 0.00 O ATOM 1042 CB THR A 69 7.172 -10.435 -6.919 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.944 -9.920 -8.009 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.809 -11.887 -7.190 1.00 0.00 C ATOM 0 H THR A 69 5.321 -10.311 -8.596 1.00 0.00 H new ATOM 0 HA THR A 69 5.408 -9.889 -5.801 1.00 0.00 H new ATOM 0 HB THR A 69 7.761 -10.389 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.748 -10.467 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.720 -12.470 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.246 -12.285 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.201 -11.948 -8.092 1.00 0.00 H new ATOM 1052 N PHE A 70 6.992 -7.775 -5.523 1.00 0.00 N ATOM 1053 CA PHE A 70 7.435 -6.404 -5.297 1.00 0.00 C ATOM 1054 C PHE A 70 8.513 -6.008 -6.302 1.00 0.00 C ATOM 1055 O PHE A 70 8.493 -4.904 -6.845 1.00 0.00 O ATOM 1056 CB PHE A 70 7.969 -6.247 -3.872 1.00 0.00 C ATOM 1057 CG PHE A 70 8.941 -5.113 -3.717 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.492 -3.831 -3.443 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.304 -5.328 -3.845 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.385 -2.785 -3.301 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.201 -4.287 -3.704 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.741 -3.013 -3.431 1.00 0.00 C ATOM 0 H PHE A 70 7.253 -8.430 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 70 6.578 -5.745 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.130 -6.091 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.455 -7.175 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.433 -3.647 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.669 -6.322 -4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.022 -1.790 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.261 -4.469 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.440 -2.197 -3.320 1.00 0.00 H new ATOM 1072 N GLU A 71 9.452 -6.918 -6.543 1.00 0.00 N ATOM 1073 CA GLU A 71 10.539 -6.663 -7.481 1.00 0.00 C ATOM 1074 C GLU A 71 9.994 -6.264 -8.850 1.00 0.00 C ATOM 1075 O GLU A 71 10.261 -5.168 -9.341 1.00 0.00 O ATOM 1076 CB GLU A 71 11.428 -7.901 -7.615 1.00 0.00 C ATOM 1077 CG GLU A 71 12.571 -7.940 -6.615 1.00 0.00 C ATOM 1078 CD GLU A 71 13.603 -9.000 -6.949 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.351 -8.812 -7.931 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.661 -10.018 -6.228 1.00 0.00 O ATOM 0 H GLU A 71 9.482 -7.837 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 71 11.135 -5.837 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.815 -8.793 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.838 -7.936 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.055 -6.964 -6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.171 -8.129 -5.619 1.00 0.00 H new ATOM 1087 N ALA A 72 9.229 -7.163 -9.460 1.00 0.00 N ATOM 1088 CA ALA A 72 8.645 -6.906 -10.771 1.00 0.00 C ATOM 1089 C ALA A 72 8.042 -5.507 -10.838 1.00 0.00 C ATOM 1090 O ALA A 72 8.437 -4.688 -11.668 1.00 0.00 O ATOM 1091 CB ALA A 72 7.590 -7.954 -11.093 1.00 0.00 C ATOM 0 H ALA A 72 8.999 -8.076 -9.067 1.00 0.00 H new ATOM 0 HA ALA A 72 9.440 -6.967 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.162 -7.750 -12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.048 -8.943 -11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.803 -7.921 -10.340 1.00 0.00 H new ATOM 1097 N THR A 73 7.081 -5.239 -9.959 1.00 0.00 N ATOM 1098 CA THR A 73 6.422 -3.940 -9.920 1.00 0.00 C ATOM 1099 C THR A 73 7.441 -2.806 -9.913 1.00 0.00 C ATOM 1100 O THR A 73 7.263 -1.793 -10.592 1.00 0.00 O ATOM 1101 CB THR A 73 5.516 -3.807 -8.681 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.564 -4.876 -8.654 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.786 -2.472 -8.686 1.00 0.00 C ATOM 0 H THR A 73 6.742 -5.905 -9.265 1.00 0.00 H new ATOM 0 HA THR A 73 5.810 -3.869 -10.819 1.00 0.00 H new ATOM 0 HB THR A 73 6.144 -3.857 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.972 -5.667 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.152 -2.400 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.513 -1.660 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.169 -2.398 -9.582 1.00 0.00 H new ATOM 1111 N LEU A 74 8.510 -2.982 -9.144 1.00 0.00 N ATOM 1112 CA LEU A 74 9.559 -1.973 -9.051 1.00 0.00 C ATOM 1113 C LEU A 74 10.297 -1.830 -10.378 1.00 0.00 C ATOM 1114 O LEU A 74 10.374 -0.738 -10.941 1.00 0.00 O ATOM 1115 CB LEU A 74 10.548 -2.338 -7.942 1.00 0.00 C ATOM 1116 CG LEU A 74 11.897 -1.620 -7.981 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.821 -0.301 -7.227 1.00 0.00 C ATOM 1118 CD2 LEU A 74 12.990 -2.505 -7.402 1.00 0.00 C ATOM 0 H LEU A 74 8.673 -3.814 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 74 9.090 -1.018 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.077 -2.132 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.730 -3.412 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 74 12.144 -1.407 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.790 0.196 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.067 0.338 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.551 -0.491 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.943 -1.977 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.750 -2.750 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.062 -3.423 -7.985 1.00 0.00 H new ATOM 1130 N GLN A 75 10.836 -2.939 -10.872 1.00 0.00 N ATOM 1131 CA GLN A 75 11.566 -2.937 -12.134 1.00 0.00 C ATOM 1132 C GLN A 75 10.773 -2.218 -13.220 1.00 0.00 C ATOM 1133 O GLN A 75 11.280 -1.301 -13.867 1.00 0.00 O ATOM 1134 CB GLN A 75 11.872 -4.370 -12.574 1.00 0.00 C ATOM 1135 CG GLN A 75 12.788 -5.117 -11.618 1.00 0.00 C ATOM 1136 CD GLN A 75 14.255 -4.946 -11.961 1.00 0.00 C ATOM 1137 OE1 GLN A 75 14.889 -5.857 -12.494 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.802 -3.775 -11.657 1.00 0.00 N ATOM 0 H GLN A 75 10.781 -3.851 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 75 12.504 -2.404 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.936 -4.919 -12.671 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.332 -4.348 -13.562 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.613 -4.763 -10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.536 -6.177 -11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.239 -3.048 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.786 -3.602 -11.865 1.00 0.00 H new ATOM 1147 N GLN A 76 9.528 -2.640 -13.415 1.00 0.00 N ATOM 1148 CA GLN A 76 8.666 -2.036 -14.424 1.00 0.00 C ATOM 1149 C GLN A 76 8.422 -0.562 -14.120 1.00 0.00 C ATOM 1150 O GLN A 76 8.391 0.273 -15.025 1.00 0.00 O ATOM 1151 CB GLN A 76 7.333 -2.781 -14.498 1.00 0.00 C ATOM 1152 CG GLN A 76 7.471 -4.238 -14.911 1.00 0.00 C ATOM 1153 CD GLN A 76 6.232 -5.053 -14.599 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.364 -5.236 -15.453 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.143 -5.549 -13.371 1.00 0.00 N ATOM 0 H GLN A 76 9.094 -3.398 -12.888 1.00 0.00 H new ATOM 0 HA GLN A 76 9.170 -2.111 -15.388 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.845 -2.733 -13.524 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.681 -2.271 -15.207 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.676 -4.291 -15.980 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.328 -4.677 -14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.886 -5.373 -12.695 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.332 -6.107 -13.104 1.00 0.00 H new ATOM 1164 N LEU A 77 8.249 -0.247 -12.841 1.00 0.00 N ATOM 1165 CA LEU A 77 8.008 1.127 -12.417 1.00 0.00 C ATOM 1166 C LEU A 77 9.097 2.058 -12.939 1.00 0.00 C ATOM 1167 O LEU A 77 10.145 1.605 -13.399 1.00 0.00 O ATOM 1168 CB LEU A 77 7.942 1.207 -10.891 1.00 0.00 C ATOM 1169 CG LEU A 77 6.547 1.102 -10.272 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.632 0.566 -8.852 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.852 2.456 -10.293 1.00 0.00 C ATOM 0 H LEU A 77 8.271 -0.925 -12.079 1.00 0.00 H new ATOM 0 HA LEU A 77 7.053 1.446 -12.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.561 0.411 -10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.387 2.151 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 77 5.958 0.404 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.630 0.498 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.089 -0.424 -8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.238 1.238 -8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.861 2.363 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.439 3.175 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.757 2.800 -11.323 1.00 0.00 H new ATOM 1183 N GLU A 78 8.842 3.361 -12.863 1.00 0.00 N ATOM 1184 CA GLU A 78 9.803 4.355 -13.327 1.00 0.00 C ATOM 1185 C GLU A 78 9.959 5.479 -12.307 1.00 0.00 C ATOM 1186 O GLU A 78 8.987 6.142 -11.946 1.00 0.00 O ATOM 1187 CB GLU A 78 9.363 4.931 -14.675 1.00 0.00 C ATOM 1188 CG GLU A 78 7.991 5.583 -14.639 1.00 0.00 C ATOM 1189 CD GLU A 78 7.610 6.214 -15.964 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.523 6.552 -16.745 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.397 6.368 -16.220 1.00 0.00 O ATOM 0 H GLU A 78 7.979 3.752 -12.485 1.00 0.00 H new ATOM 0 HA GLU A 78 10.768 3.862 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.097 5.667 -15.003 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.357 4.133 -15.417 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.245 4.836 -14.369 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.975 6.345 -13.860 1.00 0.00 H new ATOM 1198 N ALA A 79 11.188 5.686 -11.847 1.00 0.00 N ATOM 1199 CA ALA A 79 11.472 6.730 -10.871 1.00 0.00 C ATOM 1200 C ALA A 79 10.799 8.042 -11.258 1.00 0.00 C ATOM 1201 O ALA A 79 10.369 8.235 -12.395 1.00 0.00 O ATOM 1202 CB ALA A 79 12.974 6.927 -10.730 1.00 0.00 C ATOM 0 H ALA A 79 12.003 5.144 -12.135 1.00 0.00 H new ATOM 0 HA ALA A 79 11.066 6.414 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.171 7.710 -9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.434 5.996 -10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.395 7.217 -11.693 1.00 0.00 H new ATOM 1208 N PRO A 80 10.703 8.967 -10.291 1.00 0.00 N ATOM 1209 CA PRO A 80 11.210 8.748 -8.933 1.00 0.00 C ATOM 1210 C PRO A 80 10.388 7.719 -8.166 1.00 0.00 C ATOM 1211 O PRO A 80 10.709 7.377 -7.028 1.00 0.00 O ATOM 1212 CB PRO A 80 11.084 10.127 -8.281 1.00 0.00 C ATOM 1213 CG PRO A 80 9.994 10.806 -9.037 1.00 0.00 C ATOM 1214 CD PRO A 80 10.091 10.297 -10.449 1.00 0.00 C ATOM 0 HA PRO A 80 12.226 8.354 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.839 10.043 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.019 10.684 -8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.019 10.578 -8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.112 11.889 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.111 10.235 -10.922 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.704 10.950 -11.070 1.00 0.00 H new ATOM 1222 N TYR A 81 9.326 7.228 -8.795 1.00 0.00 N ATOM 1223 CA TYR A 81 8.456 6.239 -8.171 1.00 0.00 C ATOM 1224 C TYR A 81 9.267 5.066 -7.628 1.00 0.00 C ATOM 1225 O TYR A 81 9.169 4.722 -6.451 1.00 0.00 O ATOM 1226 CB TYR A 81 7.419 5.735 -9.175 1.00 0.00 C ATOM 1227 CG TYR A 81 6.747 6.840 -9.958 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.391 8.035 -9.345 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.468 6.689 -11.311 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.776 9.047 -10.057 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.856 7.696 -12.031 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.512 8.873 -11.399 1.00 0.00 C ATOM 1233 OH TYR A 81 4.900 9.878 -12.113 1.00 0.00 O ATOM 0 H TYR A 81 9.047 7.499 -9.738 1.00 0.00 H new ATOM 0 HA TYR A 81 7.942 6.719 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.903 5.050 -9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.658 5.164 -8.643 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.598 8.175 -8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.734 5.768 -11.808 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.504 9.969 -9.565 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.648 7.563 -13.082 1.00 0.00 H new ATOM 0 HH TYR A 81 4.026 9.568 -12.430 1.00 0.00 H new ATOM 1243 N ASN A 82 10.069 4.457 -8.496 1.00 0.00 N ATOM 1244 CA ASN A 82 10.898 3.323 -8.105 1.00 0.00 C ATOM 1245 C ASN A 82 12.067 3.777 -7.236 1.00 0.00 C ATOM 1246 O ASN A 82 12.618 2.996 -6.461 1.00 0.00 O ATOM 1247 CB ASN A 82 11.421 2.596 -9.345 1.00 0.00 C ATOM 1248 CG ASN A 82 12.284 3.487 -10.217 1.00 0.00 C ATOM 1249 OD1 ASN A 82 12.780 4.521 -9.768 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.467 3.090 -11.471 1.00 0.00 N ATOM 0 H ASN A 82 10.162 4.730 -9.474 1.00 0.00 H new ATOM 0 HA ASN A 82 10.282 2.638 -7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.999 1.725 -9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.578 2.227 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.038 3.649 -12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.037 2.226 -11.800 1.00 0.00 H new ATOM 1257 N SER A 83 12.440 5.046 -7.372 1.00 0.00 N ATOM 1258 CA SER A 83 13.546 5.604 -6.603 1.00 0.00 C ATOM 1259 C SER A 83 13.441 5.206 -5.134 1.00 0.00 C ATOM 1260 O SER A 83 14.397 4.699 -4.547 1.00 0.00 O ATOM 1261 CB SER A 83 13.565 7.129 -6.730 1.00 0.00 C ATOM 1262 OG SER A 83 14.765 7.669 -6.204 1.00 0.00 O ATOM 0 H SER A 83 11.992 5.707 -8.007 1.00 0.00 H new ATOM 0 HA SER A 83 14.476 5.201 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.464 7.411 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.710 7.552 -6.202 1.00 0.00 H new ATOM 0 HG SER A 83 14.754 8.644 -6.298 1.00 0.00 H new ATOM 1268 N ASP A 84 12.273 5.440 -4.546 1.00 0.00 N ATOM 1269 CA ASP A 84 12.041 5.106 -3.146 1.00 0.00 C ATOM 1270 C ASP A 84 11.443 3.708 -3.013 1.00 0.00 C ATOM 1271 O ASP A 84 10.223 3.542 -2.997 1.00 0.00 O ATOM 1272 CB ASP A 84 11.112 6.135 -2.500 1.00 0.00 C ATOM 1273 CG ASP A 84 11.784 7.480 -2.307 1.00 0.00 C ATOM 1274 OD1 ASP A 84 13.027 7.511 -2.187 1.00 0.00 O ATOM 1275 OD2 ASP A 84 11.068 8.503 -2.274 1.00 0.00 O ATOM 0 H ASP A 84 11.472 5.860 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 84 13.001 5.122 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.226 6.261 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.774 5.759 -1.534 1.00 0.00 H new ATOM 1280 N THR A 85 12.311 2.705 -2.918 1.00 0.00 N ATOM 1281 CA THR A 85 11.869 1.323 -2.788 1.00 0.00 C ATOM 1282 C THR A 85 10.932 1.154 -1.598 1.00 0.00 C ATOM 1283 O THR A 85 9.894 0.500 -1.699 1.00 0.00 O ATOM 1284 CB THR A 85 13.064 0.364 -2.627 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.926 0.828 -1.582 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.847 0.252 -3.926 1.00 0.00 C ATOM 0 H THR A 85 13.324 2.825 -2.929 1.00 0.00 H new ATOM 0 HA THR A 85 11.334 1.075 -3.705 1.00 0.00 H new ATOM 0 HB THR A 85 12.678 -0.622 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.682 0.213 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.686 -0.430 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.195 -0.129 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.222 1.235 -4.211 1.00 0.00 H new ATOM 1294 N VAL A 86 11.304 1.749 -0.469 1.00 0.00 N ATOM 1295 CA VAL A 86 10.495 1.665 0.742 1.00 0.00 C ATOM 1296 C VAL A 86 9.032 1.975 0.447 1.00 0.00 C ATOM 1297 O VAL A 86 8.129 1.397 1.054 1.00 0.00 O ATOM 1298 CB VAL A 86 11.006 2.634 1.825 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.597 4.062 1.500 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.488 2.221 3.195 1.00 0.00 C ATOM 0 H VAL A 86 12.160 2.294 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 86 10.579 0.643 1.110 1.00 0.00 H new ATOM 0 HB VAL A 86 12.095 2.589 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.967 4.732 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.021 4.352 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.510 4.127 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.858 2.916 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.398 2.236 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.836 1.215 3.427 1.00 0.00 H new ATOM 1310 N LEU A 87 8.803 2.890 -0.488 1.00 0.00 N ATOM 1311 CA LEU A 87 7.448 3.277 -0.864 1.00 0.00 C ATOM 1312 C LEU A 87 6.787 2.193 -1.708 1.00 0.00 C ATOM 1313 O LEU A 87 5.658 1.782 -1.436 1.00 0.00 O ATOM 1314 CB LEU A 87 7.470 4.598 -1.637 1.00 0.00 C ATOM 1315 CG LEU A 87 6.190 5.433 -1.575 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.811 5.722 -0.131 1.00 0.00 C ATOM 1317 CD2 LEU A 87 6.361 6.729 -2.353 1.00 0.00 C ATOM 0 H LEU A 87 9.538 3.378 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 87 6.867 3.406 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.294 5.204 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.688 4.381 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 87 5.383 4.861 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.898 6.317 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.646 4.783 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.617 6.274 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.441 7.310 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.181 7.305 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.584 6.501 -3.395 1.00 0.00 H new ATOM 1329 N VAL A 88 7.497 1.731 -2.732 1.00 0.00 N ATOM 1330 CA VAL A 88 6.981 0.691 -3.614 1.00 0.00 C ATOM 1331 C VAL A 88 6.633 -0.571 -2.831 1.00 0.00 C ATOM 1332 O VAL A 88 5.718 -1.309 -3.198 1.00 0.00 O ATOM 1333 CB VAL A 88 7.996 0.334 -4.716 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.451 -0.773 -5.606 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.344 1.566 -5.538 1.00 0.00 C ATOM 0 H VAL A 88 8.432 2.061 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 88 6.078 1.089 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 88 8.908 -0.029 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.182 -1.012 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.256 -1.661 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.524 -0.441 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.062 1.296 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.440 1.960 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.779 2.326 -4.889 1.00 0.00 H new ATOM 1345 N HIS A 89 7.369 -0.812 -1.751 1.00 0.00 N ATOM 1346 CA HIS A 89 7.138 -1.984 -0.915 1.00 0.00 C ATOM 1347 C HIS A 89 5.880 -1.809 -0.069 1.00 0.00 C ATOM 1348 O HIS A 89 5.114 -2.753 0.124 1.00 0.00 O ATOM 1349 CB HIS A 89 8.344 -2.237 -0.010 1.00 0.00 C ATOM 1350 CG HIS A 89 8.366 -3.610 0.588 1.00 0.00 C ATOM 1351 ND1 HIS A 89 7.417 -4.057 1.483 1.00 0.00 N ATOM 1352 CD2 HIS A 89 9.230 -4.638 0.414 1.00 0.00 C ATOM 1353 CE1 HIS A 89 7.697 -5.299 1.835 1.00 0.00 C ATOM 1354 NE2 HIS A 89 8.792 -5.676 1.200 1.00 0.00 N ATOM 0 H HIS A 89 8.130 -0.211 -1.434 1.00 0.00 H new ATOM 0 HA HIS A 89 6.998 -2.844 -1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.258 -2.085 -0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.347 -1.500 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.101 -4.641 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.127 -5.904 2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.240 -6.589 1.280 1.00 0.00 H new ATOM 1363 N ARG A 90 5.675 -0.596 0.433 1.00 0.00 N ATOM 1364 CA ARG A 90 4.512 -0.298 1.260 1.00 0.00 C ATOM 1365 C ARG A 90 3.244 -0.234 0.412 1.00 0.00 C ATOM 1366 O ARG A 90 2.211 -0.794 0.778 1.00 0.00 O ATOM 1367 CB ARG A 90 4.710 1.027 1.999 1.00 0.00 C ATOM 1368 CG ARG A 90 5.846 0.996 3.009 1.00 0.00 C ATOM 1369 CD ARG A 90 6.436 2.380 3.226 1.00 0.00 C ATOM 1370 NE ARG A 90 7.480 2.376 4.247 1.00 0.00 N ATOM 1371 CZ ARG A 90 8.095 3.474 4.674 1.00 0.00 C ATOM 1372 NH1 ARG A 90 7.771 4.657 4.171 1.00 0.00 N ATOM 1373 NH2 ARG A 90 9.035 3.389 5.606 1.00 0.00 N ATOM 0 H ARG A 90 6.299 0.196 0.282 1.00 0.00 H new ATOM 0 HA ARG A 90 4.402 -1.100 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.904 1.814 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.785 1.289 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.480 0.602 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.625 0.318 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.849 2.749 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.644 3.070 3.520 1.00 0.00 H new ATOM 0 HE ARG A 90 7.752 1.482 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.048 4.726 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.244 5.498 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.286 2.480 5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.507 4.232 5.933 1.00 0.00 H new ATOM 1387 N VAL A 91 3.331 0.452 -0.723 1.00 0.00 N ATOM 1388 CA VAL A 91 2.192 0.589 -1.623 1.00 0.00 C ATOM 1389 C VAL A 91 1.721 -0.772 -2.123 1.00 0.00 C ATOM 1390 O VAL A 91 0.563 -1.147 -1.935 1.00 0.00 O ATOM 1391 CB VAL A 91 2.537 1.477 -2.834 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.366 1.537 -3.803 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.932 2.873 -2.375 1.00 0.00 C ATOM 0 H VAL A 91 4.179 0.922 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 91 1.392 1.061 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 91 3.387 1.037 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.628 2.169 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.134 0.532 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.495 1.953 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.172 3.487 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.103 3.325 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.803 2.809 -1.723 1.00 0.00 H new ATOM 1403 N HIS A 92 2.625 -1.508 -2.761 1.00 0.00 N ATOM 1404 CA HIS A 92 2.302 -2.829 -3.288 1.00 0.00 C ATOM 1405 C HIS A 92 1.610 -3.682 -2.228 1.00 0.00 C ATOM 1406 O HIS A 92 0.758 -4.512 -2.545 1.00 0.00 O ATOM 1407 CB HIS A 92 3.570 -3.531 -3.776 1.00 0.00 C ATOM 1408 CG HIS A 92 3.299 -4.768 -4.575 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.058 -5.998 -3.999 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.231 -4.961 -5.913 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.855 -6.894 -4.949 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.954 -6.290 -6.119 1.00 0.00 N ATOM 0 H HIS A 92 3.587 -1.212 -2.926 1.00 0.00 H new ATOM 0 HA HIS A 92 1.620 -2.701 -4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.150 -2.836 -4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.185 -3.792 -2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.369 -4.210 -6.676 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.644 -7.942 -4.795 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.843 -6.738 -7.029 1.00 0.00 H new ATOM 1421 N SER A 93 1.983 -3.471 -0.970 1.00 0.00 N ATOM 1422 CA SER A 93 1.401 -4.224 0.136 1.00 0.00 C ATOM 1423 C SER A 93 -0.061 -3.842 0.343 1.00 0.00 C ATOM 1424 O SER A 93 -0.956 -4.678 0.217 1.00 0.00 O ATOM 1425 CB SER A 93 2.192 -3.975 1.421 1.00 0.00 C ATOM 1426 OG SER A 93 3.321 -4.828 1.499 1.00 0.00 O ATOM 0 H SER A 93 2.685 -2.786 -0.691 1.00 0.00 H new ATOM 0 HA SER A 93 1.449 -5.284 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.515 -2.935 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.548 -4.139 2.285 1.00 0.00 H new ATOM 0 HG SER A 93 4.097 -4.382 1.099 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.295 -2.575 0.662 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.649 -2.081 0.889 1.00 0.00 C ATOM 1434 C TYR A 94 -2.624 -2.684 -0.117 1.00 0.00 C ATOM 1435 O TYR A 94 -3.769 -2.992 0.218 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.680 -0.555 0.796 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.013 -0.003 0.345 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.336 0.075 -1.004 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -3.952 0.440 1.269 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.553 0.579 -1.420 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.172 0.945 0.863 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.467 1.012 -0.483 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.681 1.514 -0.893 1.00 0.00 O ATOM 0 H TYR A 94 0.435 -1.870 0.770 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.956 -2.383 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.433 -0.135 1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.906 -0.226 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.623 -0.264 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.724 0.388 2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.787 0.634 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.890 1.285 1.594 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.209 1.774 -0.109 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.164 -2.849 -1.352 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.994 -3.415 -2.409 1.00 0.00 C ATOM 1455 C LEU A 95 -3.272 -4.893 -2.150 1.00 0.00 C ATOM 1456 O LEU A 95 -4.418 -5.291 -1.943 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.313 -3.243 -3.768 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.211 -1.810 -4.291 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.021 -1.667 -5.227 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.498 -1.407 -4.996 1.00 0.00 C ATOM 0 H LEU A 95 -1.220 -2.599 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.944 -2.881 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.307 -3.657 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.856 -3.839 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.061 -1.143 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.964 -0.641 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.105 -1.914 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.140 -2.344 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.408 -0.384 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.678 -2.078 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.331 -1.470 -4.296 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.216 -5.700 -2.162 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.347 -7.133 -1.927 1.00 0.00 C ATOM 1474 C GLU A 96 -3.054 -7.404 -0.602 1.00 0.00 C ATOM 1475 O GLU A 96 -4.120 -8.018 -0.569 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.971 -7.801 -1.931 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.976 -9.209 -1.358 1.00 0.00 C ATOM 1478 CD GLU A 96 -2.298 -9.921 -1.573 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -2.613 -10.249 -2.736 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -3.016 -10.149 -0.577 1.00 0.00 O ATOM 0 H GLU A 96 -1.261 -5.386 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.949 -7.554 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.596 -7.835 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.277 -7.187 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.176 -9.788 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.761 -9.164 -0.290 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.450 -6.943 0.488 1.00 0.00 N ATOM 1488 CA ARG A 97 -3.019 -7.138 1.817 1.00 0.00 C ATOM 1489 C ARG A 97 -4.527 -6.905 1.801 1.00 0.00 C ATOM 1490 O ARG A 97 -5.301 -7.749 2.255 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.357 -6.193 2.821 1.00 0.00 C ATOM 1492 CG ARG A 97 -1.068 -6.740 3.413 1.00 0.00 C ATOM 1493 CD ARG A 97 -1.341 -7.635 4.612 1.00 0.00 C ATOM 1494 NE ARG A 97 -0.120 -8.246 5.128 1.00 0.00 N ATOM 1495 CZ ARG A 97 0.534 -9.222 4.508 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.084 -9.695 3.354 1.00 0.00 N ATOM 1497 NH2 ARG A 97 1.639 -9.726 5.041 1.00 0.00 N ATOM 0 H ARG A 97 -1.567 -6.432 0.478 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.831 -8.168 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.147 -5.243 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.059 -5.985 3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.528 -7.304 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.425 -5.913 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.815 -7.050 5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.045 -8.417 4.328 1.00 0.00 H new ATOM 0 HE ARG A 97 0.252 -7.904 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.765 -9.309 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.587 -10.444 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.988 -9.364 5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.140 -10.475 4.563 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.938 -5.755 1.276 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.354 -5.412 1.202 1.00 0.00 C ATOM 1513 C HIS A 98 -7.104 -6.393 0.305 1.00 0.00 C ATOM 1514 O HIS A 98 -8.219 -6.807 0.618 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.528 -3.987 0.676 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.088 -2.933 1.645 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.753 -1.736 1.808 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.046 -2.903 2.508 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.136 -1.014 2.726 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.097 -1.700 3.168 1.00 0.00 N ATOM 0 H HIS A 98 -4.311 -5.046 0.896 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.771 -5.474 2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.961 -3.878 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.577 -3.826 0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.311 -3.681 2.651 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.431 -0.030 3.059 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.440 -1.387 3.883 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.484 -6.759 -0.813 1.00 0.00 N ATOM 1530 CA GLY A 99 -7.109 -7.686 -1.738 1.00 0.00 C ATOM 1531 C GLY A 99 -7.407 -7.053 -3.082 1.00 0.00 C ATOM 1532 O GLY A 99 -8.427 -7.350 -3.705 1.00 0.00 O ATOM 0 H GLY A 99 -5.560 -6.430 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.455 -8.546 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.036 -8.059 -1.302 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.515 -6.176 -3.531 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.688 -5.497 -4.811 1.00 0.00 C ATOM 1538 C LEU A 100 -5.787 -6.109 -5.879 1.00 0.00 C ATOM 1539 O LEU A 100 -5.908 -5.793 -7.063 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.383 -4.005 -4.664 1.00 0.00 C ATOM 1541 CG LEU A 100 -6.884 -3.340 -3.381 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.131 -1.857 -3.610 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.151 -4.024 -2.887 1.00 0.00 C ATOM 0 H LEU A 100 -5.666 -5.919 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.725 -5.621 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.303 -3.868 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.818 -3.480 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.116 -3.445 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.487 -1.401 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.202 -1.377 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.881 -1.729 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.494 -3.538 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.926 -3.950 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.942 -5.074 -2.683 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.886 -6.988 -5.452 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.968 -7.647 -6.372 1.00 0.00 C ATOM 1557 C ILE A 101 -3.583 -9.033 -5.866 1.00 0.00 C ATOM 1558 O ILE A 101 -3.688 -9.321 -4.675 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.688 -6.815 -6.582 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -2.012 -6.532 -5.239 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.013 -5.515 -7.302 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.594 -6.022 -5.373 1.00 0.00 C ATOM 0 H ILE A 101 -4.773 -7.260 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.490 -7.743 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.998 -7.388 -7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.603 -5.798 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.007 -7.445 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.099 -4.939 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.455 -5.738 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.719 -4.936 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.177 -5.843 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.012 -6.764 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.594 -5.091 -5.940 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.134 -9.887 -6.780 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.732 -11.243 -6.427 1.00 0.00 C ATOM 1576 C ASN A 102 -3.805 -11.927 -5.585 1.00 0.00 C ATOM 1577 O ASN A 102 -3.533 -12.411 -4.487 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.406 -11.221 -5.663 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.273 -10.642 -6.488 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.498 -10.056 -7.547 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.953 -10.803 -6.004 1.00 0.00 N ATOM 0 H ASN A 102 -3.040 -9.664 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.604 -11.809 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.525 -10.635 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.148 -12.235 -5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.755 -10.434 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.092 -11.296 -5.122 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.026 -11.963 -6.109 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.141 -12.588 -5.406 1.00 0.00 C ATOM 1590 C PHE A 103 -6.784 -13.674 -6.264 1.00 0.00 C ATOM 1591 O PHE A 103 -7.980 -13.942 -6.151 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.186 -11.536 -5.027 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.547 -10.615 -6.158 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.116 -11.112 -7.319 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.316 -9.252 -6.059 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.450 -10.268 -8.361 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.649 -8.403 -7.098 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.215 -8.911 -8.251 1.00 0.00 C ATOM 0 H PHE A 103 -5.268 -11.567 -7.017 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.753 -13.049 -4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.087 -12.040 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.808 -10.944 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.301 -12.172 -7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.871 -8.849 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.894 -10.669 -9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.467 -7.342 -7.008 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.473 -8.249 -9.064 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.981 -14.295 -7.122 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.489 -15.344 -7.987 1.00 0.00 C ATOM 1610 C GLY A 104 -5.432 -15.878 -8.933 1.00 0.00 C ATOM 1611 O GLY A 104 -5.682 -16.037 -10.128 1.00 0.00 O ATOM 0 H GLY A 104 -4.988 -14.091 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.871 -16.161 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.329 -14.959 -8.565 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.247 -16.155 -8.398 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.149 -16.673 -9.204 1.00 0.00 C ATOM 1617 C ILE A 105 -2.469 -17.851 -8.514 1.00 0.00 C ATOM 1618 O ILE A 105 -1.995 -18.779 -9.170 1.00 0.00 O ATOM 1619 CB ILE A 105 -2.098 -15.584 -9.490 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.322 -15.246 -8.216 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.765 -14.340 -10.057 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.161 -14.555 -7.163 1.00 0.00 C ATOM 0 H ILE A 105 -4.023 -16.029 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.580 -17.007 -10.148 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.395 -15.964 -10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.911 -16.164 -7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.478 -14.607 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.009 -13.580 -10.254 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.276 -14.593 -10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.488 -13.955 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.546 -14.346 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.551 -13.620 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.991 -15.201 -6.877 1.00 0.00 H new