USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 638 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 106 ASN : amide:sc= -1.75 K(o=-1.9,f=-3.3!) USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.121 USER MOD Single : A 51 ASN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.208 (180deg=-0.316) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.000404 X(o=-0.0004,f=-0.24) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.042) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -3.05! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -3:sc= 0.503 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 137 SER OG : rot 77:sc= 0.0732 USER MOD Single : A 138 LYS NZ :NH3+ -167:sc= -0.0644 (180deg=-0.323) USER MOD Single : A 139 THR OG1 : rot 94:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.110 -6.125 -8.416 1.00 0.00 N ATOM 92 CA ASN A 51 -4.820 -7.485 -8.868 1.00 0.00 C ATOM 93 C ASN A 51 -3.944 -8.232 -7.862 1.00 0.00 C ATOM 94 O ASN A 51 -3.521 -7.666 -6.852 1.00 0.00 O ATOM 95 CB ASN A 51 -4.132 -7.450 -10.240 1.00 0.00 C ATOM 96 CG ASN A 51 -5.075 -7.798 -11.379 1.00 0.00 C ATOM 97 OD1 ASN A 51 -5.257 -7.013 -12.308 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.678 -8.982 -11.316 1.00 0.00 N ATOM 0 HA ASN A 51 -5.766 -8.019 -8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.717 -6.456 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.296 -8.149 -10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.319 -9.268 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.499 -9.604 -10.528 1.00 0.00 H new ATOM 105 N PHE A 52 -3.676 -9.508 -8.148 1.00 0.00 N ATOM 106 CA PHE A 52 -2.849 -10.337 -7.273 1.00 0.00 C ATOM 107 C PHE A 52 -1.367 -10.061 -7.501 1.00 0.00 C ATOM 108 O PHE A 52 -0.859 -10.232 -8.611 1.00 0.00 O ATOM 109 CB PHE A 52 -3.139 -11.825 -7.509 1.00 0.00 C ATOM 110 CG PHE A 52 -4.595 -12.188 -7.378 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.352 -11.697 -6.326 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.203 -13.016 -8.308 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.688 -12.025 -6.204 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.539 -13.347 -8.191 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.283 -12.852 -7.137 1.00 0.00 C ATOM 0 H PHE A 52 -4.020 -9.988 -8.979 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.097 -10.084 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.794 -12.099 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.561 -12.416 -6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.892 -11.051 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.626 -13.407 -9.133 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.267 -11.635 -5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.002 -13.992 -8.923 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.327 -13.111 -7.043 1.00 0.00 H new ATOM 125 N GLY A 53 -0.680 -9.636 -6.442 1.00 0.00 N ATOM 126 CA GLY A 53 0.740 -9.345 -6.541 1.00 0.00 C ATOM 127 C GLY A 53 1.016 -7.992 -7.171 1.00 0.00 C ATOM 128 O GLY A 53 1.876 -7.872 -8.045 1.00 0.00 O ATOM 0 H GLY A 53 -1.083 -9.488 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.184 -9.376 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.226 -10.122 -7.131 1.00 0.00 H new ATOM 132 N ASP A 54 0.287 -6.971 -6.722 1.00 0.00 N ATOM 133 CA ASP A 54 0.450 -5.618 -7.240 1.00 0.00 C ATOM 134 C ASP A 54 0.493 -4.605 -6.099 1.00 0.00 C ATOM 135 O ASP A 54 -0.267 -4.712 -5.133 1.00 0.00 O ATOM 136 CB ASP A 54 -0.695 -5.277 -8.197 1.00 0.00 C ATOM 137 CG ASP A 54 -0.221 -4.529 -9.427 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.385 -3.448 -9.269 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.455 -5.025 -10.549 1.00 0.00 O ATOM 0 H ASP A 54 -0.425 -7.059 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 54 1.394 -5.571 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.193 -6.196 -8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.436 -4.674 -7.672 1.00 0.00 H new ATOM 144 N ARG A 55 1.383 -3.624 -6.223 1.00 0.00 N ATOM 145 CA ARG A 55 1.529 -2.583 -5.207 1.00 0.00 C ATOM 146 C ARG A 55 0.259 -1.742 -5.115 1.00 0.00 C ATOM 147 O ARG A 55 -0.153 -1.115 -6.092 1.00 0.00 O ATOM 148 CB ARG A 55 2.726 -1.679 -5.525 1.00 0.00 C ATOM 149 CG ARG A 55 4.070 -2.387 -5.448 1.00 0.00 C ATOM 150 CD ARG A 55 4.633 -2.660 -6.833 1.00 0.00 C ATOM 151 NE ARG A 55 4.839 -4.089 -7.070 1.00 0.00 N ATOM 152 CZ ARG A 55 5.610 -4.581 -8.041 1.00 0.00 C ATOM 153 NH1 ARG A 55 6.254 -3.768 -8.875 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.735 -5.896 -8.183 1.00 0.00 N ATOM 0 H ARG A 55 2.015 -3.527 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 55 1.702 -3.071 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.601 -1.266 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.729 -0.839 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.773 -1.776 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.957 -3.327 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.952 -2.262 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.580 -2.133 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 55 4.364 -4.750 -6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.161 -2.757 -8.775 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.841 -4.156 -9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.242 -6.526 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.324 -6.275 -8.925 1.00 0.00 H new ATOM 168 N ILE A 56 -0.357 -1.737 -3.935 1.00 0.00 N ATOM 169 CA ILE A 56 -1.582 -0.976 -3.709 1.00 0.00 C ATOM 170 C ILE A 56 -1.482 -0.132 -2.438 1.00 0.00 C ATOM 171 O ILE A 56 -0.771 -0.489 -1.499 1.00 0.00 O ATOM 172 CB ILE A 56 -2.815 -1.900 -3.608 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.667 -2.875 -2.434 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.023 -2.661 -4.910 1.00 0.00 C ATOM 175 CD1 ILE A 56 -3.465 -2.471 -1.218 1.00 0.00 C ATOM 0 H ILE A 56 -0.026 -2.253 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.705 -0.318 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.692 -1.278 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.983 -3.868 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.614 -2.947 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.897 -3.307 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.178 -1.953 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.143 -3.269 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.315 -3.204 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.133 -1.491 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.523 -2.426 -1.476 1.00 0.00 H new ATOM 187 N LEU A 57 -2.203 0.987 -2.413 1.00 0.00 N ATOM 188 CA LEU A 57 -2.198 1.879 -1.257 1.00 0.00 C ATOM 189 C LEU A 57 -3.399 1.602 -0.358 1.00 0.00 C ATOM 190 O LEU A 57 -4.495 1.327 -0.844 1.00 0.00 O ATOM 191 CB LEU A 57 -2.211 3.341 -1.715 1.00 0.00 C ATOM 192 CG LEU A 57 -1.162 4.239 -1.055 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.243 3.733 -1.353 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.326 5.678 -1.524 1.00 0.00 C ATOM 0 H LEU A 57 -2.798 1.297 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.288 1.695 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.062 3.368 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.199 3.758 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.312 4.209 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.974 4.385 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.354 2.720 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.408 3.731 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.573 6.305 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.203 5.724 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.320 6.037 -1.256 1.00 0.00 H new ATOM 206 N VAL A 58 -3.188 1.671 0.954 1.00 0.00 N ATOM 207 CA VAL A 58 -4.259 1.422 1.918 1.00 0.00 C ATOM 208 C VAL A 58 -4.303 2.511 2.988 1.00 0.00 C ATOM 209 O VAL A 58 -3.264 2.992 3.440 1.00 0.00 O ATOM 210 CB VAL A 58 -4.092 0.050 2.605 1.00 0.00 C ATOM 211 CG1 VAL A 58 -5.285 -0.257 3.499 1.00 0.00 C ATOM 212 CG2 VAL A 58 -3.899 -1.050 1.571 1.00 0.00 C ATOM 0 H VAL A 58 -2.287 1.897 1.375 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.194 1.428 1.358 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.201 0.091 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.145 -1.229 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.371 0.512 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.195 -0.274 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.783 -2.009 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.768 -1.089 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.007 -0.842 0.980 1.00 0.00 H new ATOM 222 N LYS A 59 -5.514 2.887 3.395 1.00 0.00 N ATOM 223 CA LYS A 59 -5.697 3.911 4.422 1.00 0.00 C ATOM 224 C LYS A 59 -6.073 3.276 5.759 1.00 0.00 C ATOM 225 O LYS A 59 -6.923 2.385 5.816 1.00 0.00 O ATOM 226 CB LYS A 59 -6.777 4.909 3.993 1.00 0.00 C ATOM 227 CG LYS A 59 -7.032 6.007 5.014 1.00 0.00 C ATOM 228 CD LYS A 59 -7.407 7.320 4.346 1.00 0.00 C ATOM 229 CE LYS A 59 -7.002 8.516 5.195 1.00 0.00 C ATOM 230 NZ LYS A 59 -5.600 8.943 4.927 1.00 0.00 N ATOM 0 H LYS A 59 -6.383 2.498 3.029 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.753 4.442 4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.484 5.365 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.707 4.370 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.832 5.699 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.140 6.151 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.923 7.384 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.482 7.345 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.678 9.347 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.109 8.264 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.274 9.565 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.986 8.105 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.560 9.457 4.024 1.00 0.00 H new ATOM 244 N ALA A 60 -5.437 3.744 6.834 1.00 0.00 N ATOM 245 CA ALA A 60 -5.704 3.229 8.173 1.00 0.00 C ATOM 246 C ALA A 60 -6.413 4.274 9.033 1.00 0.00 C ATOM 247 O ALA A 60 -6.303 5.475 8.777 1.00 0.00 O ATOM 248 CB ALA A 60 -4.405 2.793 8.838 1.00 0.00 C ATOM 0 H ALA A 60 -4.732 4.481 6.801 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.362 2.365 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.618 2.411 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.936 2.010 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.730 3.646 8.912 1.00 0.00 H new ATOM 254 N PRO A 61 -7.151 3.833 10.072 1.00 0.00 N ATOM 255 CA PRO A 61 -7.876 4.741 10.972 1.00 0.00 C ATOM 256 C PRO A 61 -6.930 5.676 11.721 1.00 0.00 C ATOM 257 O PRO A 61 -6.097 5.229 12.511 1.00 0.00 O ATOM 258 CB PRO A 61 -8.591 3.800 11.950 1.00 0.00 C ATOM 259 CG PRO A 61 -7.845 2.512 11.864 1.00 0.00 C ATOM 260 CD PRO A 61 -7.335 2.422 10.453 1.00 0.00 C ATOM 0 HA PRO A 61 -8.559 5.394 10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.574 4.199 12.964 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.638 3.668 11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.022 2.489 12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.494 1.669 12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.400 1.865 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.046 1.918 9.799 1.00 0.00 H new ATOM 268 N GLY A 62 -7.059 6.976 11.457 1.00 0.00 N ATOM 269 CA GLY A 62 -6.205 7.957 12.104 1.00 0.00 C ATOM 270 C GLY A 62 -4.770 7.905 11.601 1.00 0.00 C ATOM 271 O GLY A 62 -3.841 8.244 12.334 1.00 0.00 O ATOM 0 H GLY A 62 -7.741 7.366 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.610 8.955 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.215 7.788 13.181 1.00 0.00 H new ATOM 275 N TYR A 63 -4.591 7.476 10.351 1.00 0.00 N ATOM 276 CA TYR A 63 -3.262 7.378 9.755 1.00 0.00 C ATOM 277 C TYR A 63 -3.333 7.540 8.235 1.00 0.00 C ATOM 278 O TYR A 63 -4.296 7.102 7.602 1.00 0.00 O ATOM 279 CB TYR A 63 -2.627 6.029 10.111 1.00 0.00 C ATOM 280 CG TYR A 63 -1.161 6.114 10.487 1.00 0.00 C ATOM 281 CD1 TYR A 63 -0.700 7.093 11.360 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.242 5.210 9.971 1.00 0.00 C ATOM 283 CE1 TYR A 63 0.638 7.170 11.703 1.00 0.00 C ATOM 284 CE2 TYR A 63 1.096 5.281 10.310 1.00 0.00 C ATOM 285 CZ TYR A 63 1.529 6.262 11.177 1.00 0.00 C ATOM 286 OH TYR A 63 2.861 6.334 11.517 1.00 0.00 O ATOM 0 H TYR A 63 -5.351 7.191 9.733 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.645 8.182 10.156 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.179 5.588 10.941 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.735 5.354 9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.397 7.805 11.777 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.578 4.439 9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.982 7.938 12.380 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.799 4.572 9.898 1.00 0.00 H new ATOM 0 HH TYR A 63 3.354 5.620 11.061 1.00 0.00 H new ATOM 296 N PRO A 64 -2.312 8.177 7.625 1.00 0.00 N ATOM 297 CA PRO A 64 -2.268 8.393 6.172 1.00 0.00 C ATOM 298 C PRO A 64 -2.147 7.087 5.386 1.00 0.00 C ATOM 299 O PRO A 64 -1.973 6.015 5.970 1.00 0.00 O ATOM 300 CB PRO A 64 -1.021 9.262 5.972 1.00 0.00 C ATOM 301 CG PRO A 64 -0.175 9.003 7.171 1.00 0.00 C ATOM 302 CD PRO A 64 -1.127 8.735 8.302 1.00 0.00 C ATOM 0 HA PRO A 64 -3.185 8.855 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.497 8.995 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.283 10.317 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.484 8.151 7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.461 9.860 7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.708 8.033 9.022 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.368 9.647 8.849 1.00 0.00 H new ATOM 310 N TRP A 65 -2.239 7.184 4.059 1.00 0.00 N ATOM 311 CA TRP A 65 -2.140 6.008 3.193 1.00 0.00 C ATOM 312 C TRP A 65 -0.746 5.390 3.270 1.00 0.00 C ATOM 313 O TRP A 65 0.251 6.101 3.409 1.00 0.00 O ATOM 314 CB TRP A 65 -2.461 6.376 1.740 1.00 0.00 C ATOM 315 CG TRP A 65 -3.864 6.867 1.536 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.336 8.125 1.780 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.977 6.111 1.038 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.672 8.197 1.470 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.088 6.974 1.010 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.141 4.789 0.610 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.344 6.557 0.577 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.389 4.378 0.179 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.476 5.261 0.165 1.00 0.00 C ATOM 0 H TRP A 65 -2.382 8.063 3.561 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.868 5.277 3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.765 7.146 1.408 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.296 5.503 1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.745 8.944 2.161 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.259 9.025 1.566 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.308 4.102 0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.185 7.235 0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.528 3.359 -0.152 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.438 4.910 -0.178 1.00 0.00 H new ATOM 334 N TRP A 66 -0.682 4.062 3.179 1.00 0.00 N ATOM 335 CA TRP A 66 0.590 3.347 3.241 1.00 0.00 C ATOM 336 C TRP A 66 0.762 2.419 2.037 1.00 0.00 C ATOM 337 O TRP A 66 -0.210 1.838 1.549 1.00 0.00 O ATOM 338 CB TRP A 66 0.679 2.540 4.538 1.00 0.00 C ATOM 339 CG TRP A 66 2.045 2.559 5.148 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.865 1.489 5.362 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.758 3.711 5.612 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.044 1.905 5.929 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.002 3.264 6.093 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.466 5.077 5.665 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.951 4.133 6.620 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.411 5.938 6.187 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.640 5.463 6.656 1.00 0.00 C ATOM 0 H TRP A 66 -1.497 3.460 3.062 1.00 0.00 H new ATOM 0 HA TRP A 66 1.392 4.085 3.220 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.039 2.937 5.256 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.391 1.508 4.337 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.622 0.465 5.121 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.824 1.300 6.186 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.519 5.452 5.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.899 3.770 6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.198 6.996 6.234 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.359 6.163 7.055 1.00 0.00 H new ATOM 358 N PRO A 67 2.008 2.265 1.541 1.00 0.00 N ATOM 359 CA PRO A 67 2.305 1.406 0.391 1.00 0.00 C ATOM 360 C PRO A 67 2.287 -0.080 0.751 1.00 0.00 C ATOM 361 O PRO A 67 3.222 -0.594 1.366 1.00 0.00 O ATOM 362 CB PRO A 67 3.711 1.844 -0.019 1.00 0.00 C ATOM 363 CG PRO A 67 4.336 2.317 1.247 1.00 0.00 C ATOM 364 CD PRO A 67 3.226 2.922 2.063 1.00 0.00 C ATOM 0 HA PRO A 67 1.563 1.510 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.273 1.018 -0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.678 2.637 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.806 1.491 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.116 3.051 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.360 2.729 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.182 4.004 1.939 1.00 0.00 H new ATOM 372 N ALA A 68 1.213 -0.762 0.357 1.00 0.00 N ATOM 373 CA ALA A 68 1.061 -2.189 0.624 1.00 0.00 C ATOM 374 C ALA A 68 1.077 -2.986 -0.679 1.00 0.00 C ATOM 375 O ALA A 68 1.104 -2.413 -1.768 1.00 0.00 O ATOM 376 CB ALA A 68 -0.229 -2.445 1.390 1.00 0.00 C ATOM 0 H ALA A 68 0.432 -0.346 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 68 1.901 -2.519 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.332 -3.513 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.203 -1.906 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.078 -2.100 0.799 1.00 0.00 H new ATOM 382 N LEU A 69 1.062 -4.310 -0.562 1.00 0.00 N ATOM 383 CA LEU A 69 1.073 -5.178 -1.734 1.00 0.00 C ATOM 384 C LEU A 69 -0.036 -6.223 -1.644 1.00 0.00 C ATOM 385 O LEU A 69 -0.055 -7.040 -0.724 1.00 0.00 O ATOM 386 CB LEU A 69 2.434 -5.863 -1.878 1.00 0.00 C ATOM 387 CG LEU A 69 3.216 -5.485 -3.139 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.712 -5.484 -2.865 1.00 0.00 C ATOM 389 CD2 LEU A 69 2.879 -6.436 -4.279 1.00 0.00 C ATOM 0 H LEU A 69 1.042 -4.804 0.330 1.00 0.00 H new ATOM 0 HA LEU A 69 0.895 -4.562 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.041 -5.620 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.284 -6.943 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 69 2.925 -4.477 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.248 -5.213 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.938 -4.761 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.024 -6.478 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.443 -6.153 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.140 -7.455 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.812 -6.382 -4.494 1.00 0.00 H new ATOM 401 N LEU A 70 -0.959 -6.185 -2.603 1.00 0.00 N ATOM 402 CA LEU A 70 -2.081 -7.123 -2.632 1.00 0.00 C ATOM 403 C LEU A 70 -1.600 -8.556 -2.850 1.00 0.00 C ATOM 404 O LEU A 70 -0.817 -8.826 -3.761 1.00 0.00 O ATOM 405 CB LEU A 70 -3.068 -6.735 -3.736 1.00 0.00 C ATOM 406 CG LEU A 70 -4.509 -7.201 -3.514 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.465 -6.425 -4.406 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.633 -8.696 -3.768 1.00 0.00 C ATOM 0 H LEU A 70 -0.953 -5.514 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.582 -7.073 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.066 -5.650 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.712 -7.145 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.776 -7.007 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.484 -6.770 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.398 -5.362 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.199 -6.585 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.664 -9.008 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.345 -8.915 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.978 -9.237 -3.085 1.00 0.00 H new ATOM 420 N LEU A 71 -2.081 -9.472 -2.009 1.00 0.00 N ATOM 421 CA LEU A 71 -1.710 -10.881 -2.110 1.00 0.00 C ATOM 422 C LEU A 71 -2.853 -11.703 -2.700 1.00 0.00 C ATOM 423 O LEU A 71 -2.678 -12.380 -3.715 1.00 0.00 O ATOM 424 CB LEU A 71 -1.320 -11.433 -0.735 1.00 0.00 C ATOM 425 CG LEU A 71 -0.107 -10.760 -0.085 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.291 -10.660 1.422 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.168 -11.523 -0.421 1.00 0.00 C ATOM 0 H LEU A 71 -2.729 -9.262 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.851 -10.957 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.174 -11.333 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.115 -12.499 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.019 -9.750 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.582 -10.179 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.181 -10.070 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.406 -11.659 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.020 -11.032 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.089 -12.545 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.308 -11.539 -1.502 1.00 0.00 H new ATOM 439 N ARG A 72 -4.024 -11.643 -2.060 1.00 0.00 N ATOM 440 CA ARG A 72 -5.194 -12.386 -2.527 1.00 0.00 C ATOM 441 C ARG A 72 -6.494 -11.740 -2.051 1.00 0.00 C ATOM 442 O ARG A 72 -6.524 -11.054 -1.027 1.00 0.00 O ATOM 443 CB ARG A 72 -5.128 -13.838 -2.041 1.00 0.00 C ATOM 444 CG ARG A 72 -4.688 -14.823 -3.114 1.00 0.00 C ATOM 445 CD ARG A 72 -5.873 -15.366 -3.896 1.00 0.00 C ATOM 446 NE ARG A 72 -6.868 -15.992 -3.024 1.00 0.00 N ATOM 447 CZ ARG A 72 -8.138 -16.204 -3.376 1.00 0.00 C ATOM 448 NH1 ARG A 72 -8.568 -15.867 -4.588 1.00 0.00 N ATOM 449 NH2 ARG A 72 -8.980 -16.761 -2.514 1.00 0.00 N ATOM 0 H ARG A 72 -4.185 -11.089 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.185 -12.367 -3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.438 -13.899 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.110 -14.133 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.995 -14.332 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.148 -15.649 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.340 -14.555 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.522 -16.095 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.573 -16.284 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.926 -15.443 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.540 -16.033 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.656 -17.026 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.951 -16.923 -2.782 1.00 0.00 H new ATOM 463 N ARG A 73 -7.573 -11.975 -2.802 1.00 0.00 N ATOM 464 CA ARG A 73 -8.885 -11.431 -2.462 1.00 0.00 C ATOM 465 C ARG A 73 -9.740 -12.493 -1.774 1.00 0.00 C ATOM 466 O ARG A 73 -10.213 -13.431 -2.419 1.00 0.00 O ATOM 467 CB ARG A 73 -9.598 -10.920 -3.718 1.00 0.00 C ATOM 468 CG ARG A 73 -10.707 -9.918 -3.427 1.00 0.00 C ATOM 469 CD ARG A 73 -11.860 -10.054 -4.411 1.00 0.00 C ATOM 470 NE ARG A 73 -11.666 -9.229 -5.602 1.00 0.00 N ATOM 471 CZ ARG A 73 -11.094 -9.660 -6.732 1.00 0.00 C ATOM 472 NH1 ARG A 73 -10.654 -10.913 -6.835 1.00 0.00 N ATOM 473 NH2 ARG A 73 -10.960 -8.834 -7.764 1.00 0.00 N ATOM 0 H ARG A 73 -7.561 -12.540 -3.651 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.741 -10.596 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.865 -10.456 -4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.019 -11.769 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.075 -10.067 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.305 -8.906 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.963 -11.098 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.791 -9.769 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.988 -8.262 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.752 -11.554 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.219 -11.231 -7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.293 -7.872 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.524 -9.161 -8.626 1.00 0.00 H new ATOM 487 N LYS A 74 -9.927 -12.344 -0.465 1.00 0.00 N ATOM 488 CA LYS A 74 -10.719 -13.296 0.314 1.00 0.00 C ATOM 489 C LYS A 74 -12.116 -12.751 0.610 1.00 0.00 C ATOM 490 O LYS A 74 -12.265 -11.631 1.104 1.00 0.00 O ATOM 491 CB LYS A 74 -10.007 -13.639 1.626 1.00 0.00 C ATOM 492 CG LYS A 74 -9.377 -12.437 2.311 1.00 0.00 C ATOM 493 CD LYS A 74 -9.176 -12.681 3.798 1.00 0.00 C ATOM 494 CE LYS A 74 -10.287 -12.049 4.623 1.00 0.00 C ATOM 495 NZ LYS A 74 -9.995 -12.101 6.084 1.00 0.00 N ATOM 0 H LYS A 74 -9.541 -11.573 0.080 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.826 -14.201 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.722 -14.101 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.233 -14.380 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.417 -12.214 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.011 -11.562 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.144 -13.753 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.214 -12.272 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.421 -11.012 4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.226 -12.565 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.776 -11.660 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.892 -13.092 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.112 -11.587 6.280 1.00 0.00 H new ATOM 509 N GLU A 75 -13.134 -13.559 0.312 1.00 0.00 N ATOM 510 CA GLU A 75 -14.524 -13.174 0.546 1.00 0.00 C ATOM 511 C GLU A 75 -15.100 -13.934 1.737 1.00 0.00 C ATOM 512 O GLU A 75 -15.424 -15.120 1.631 1.00 0.00 O ATOM 513 CB GLU A 75 -15.368 -13.448 -0.703 1.00 0.00 C ATOM 514 CG GLU A 75 -16.394 -12.364 -0.999 1.00 0.00 C ATOM 515 CD GLU A 75 -17.630 -12.888 -1.713 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.544 -13.951 -2.366 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.687 -12.230 -1.623 1.00 0.00 O ATOM 0 H GLU A 75 -13.020 -14.488 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.550 -12.107 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.706 -13.553 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.884 -14.400 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.695 -11.893 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.930 -11.590 -1.611 1.00 0.00 H new ATOM 524 N THR A 76 -15.226 -13.248 2.870 1.00 0.00 N ATOM 525 CA THR A 76 -15.762 -13.867 4.078 1.00 0.00 C ATOM 526 C THR A 76 -17.147 -13.316 4.409 1.00 0.00 C ATOM 527 O THR A 76 -17.361 -12.105 4.405 1.00 0.00 O ATOM 528 CB THR A 76 -14.805 -13.659 5.258 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.293 -14.299 6.423 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.562 -12.202 5.599 1.00 0.00 C ATOM 0 H THR A 76 -14.965 -12.268 2.976 1.00 0.00 H new ATOM 0 HA THR A 76 -15.860 -14.937 3.894 1.00 0.00 H new ATOM 0 HB THR A 76 -13.861 -14.095 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.666 -14.155 7.162 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.876 -12.135 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.128 -11.694 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.507 -11.727 5.862 1.00 0.00 H new ATOM 666 N PHE A 86 -22.043 -10.083 3.058 1.00 0.00 N ATOM 667 CA PHE A 86 -20.671 -10.555 2.877 1.00 0.00 C ATOM 668 C PHE A 86 -19.664 -9.469 3.252 1.00 0.00 C ATOM 669 O PHE A 86 -19.981 -8.278 3.229 1.00 0.00 O ATOM 670 CB PHE A 86 -20.444 -11.001 1.429 1.00 0.00 C ATOM 671 CG PHE A 86 -20.752 -12.453 1.189 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.063 -12.888 1.088 1.00 0.00 C ATOM 673 CD2 PHE A 86 -19.729 -13.380 1.064 1.00 0.00 C ATOM 674 CE1 PHE A 86 -22.350 -14.221 0.866 1.00 0.00 C ATOM 675 CE2 PHE A 86 -20.010 -14.714 0.842 1.00 0.00 C ATOM 676 CZ PHE A 86 -21.322 -15.136 0.744 1.00 0.00 C ATOM 0 HA PHE A 86 -20.520 -11.408 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.064 -10.393 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.406 -10.809 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -22.870 -12.177 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -18.702 -13.056 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -23.377 -14.547 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -19.205 -15.427 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.544 -16.179 0.572 1.00 0.00 H new ATOM 686 N ASN A 87 -18.448 -9.890 3.593 1.00 0.00 N ATOM 687 CA ASN A 87 -17.390 -8.963 3.971 1.00 0.00 C ATOM 688 C ASN A 87 -16.090 -9.312 3.251 1.00 0.00 C ATOM 689 O ASN A 87 -15.208 -9.965 3.813 1.00 0.00 O ATOM 690 CB ASN A 87 -17.163 -8.998 5.488 1.00 0.00 C ATOM 691 CG ASN A 87 -18.412 -8.653 6.279 1.00 0.00 C ATOM 692 OD1 ASN A 87 -19.329 -9.467 6.395 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.451 -7.449 6.836 1.00 0.00 N ATOM 0 H ASN A 87 -18.173 -10.872 3.614 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.699 -7.959 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -16.819 -9.991 5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.369 -8.298 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.263 -7.167 7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -17.669 -6.805 6.715 1.00 0.00 H new ATOM 700 N VAL A 88 -15.977 -8.867 2.005 1.00 0.00 N ATOM 701 CA VAL A 88 -14.783 -9.127 1.207 1.00 0.00 C ATOM 702 C VAL A 88 -13.722 -8.055 1.441 1.00 0.00 C ATOM 703 O VAL A 88 -14.028 -6.861 1.496 1.00 0.00 O ATOM 704 CB VAL A 88 -15.108 -9.219 -0.299 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.843 -7.975 -0.782 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.841 -9.451 -1.110 1.00 0.00 C ATOM 0 H VAL A 88 -16.696 -8.325 1.525 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.391 -10.091 1.531 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.769 -10.073 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.058 -8.070 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.777 -7.868 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.220 -7.096 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.093 -9.513 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.149 -8.624 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.372 -10.383 -0.794 1.00 0.00 H new ATOM 716 N LEU A 89 -12.474 -8.495 1.582 1.00 0.00 N ATOM 717 CA LEU A 89 -11.354 -7.586 1.816 1.00 0.00 C ATOM 718 C LEU A 89 -10.165 -7.923 0.916 1.00 0.00 C ATOM 719 O LEU A 89 -10.212 -8.878 0.137 1.00 0.00 O ATOM 720 CB LEU A 89 -10.917 -7.648 3.284 1.00 0.00 C ATOM 721 CG LEU A 89 -12.054 -7.618 4.310 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.526 -7.938 5.700 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.750 -6.264 4.297 1.00 0.00 C ATOM 0 H LEU A 89 -12.212 -9.480 1.538 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.692 -6.578 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.338 -8.559 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.249 -6.810 3.482 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.785 -8.380 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.347 -7.912 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.077 -8.931 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.775 -7.200 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.555 -6.262 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.031 -5.483 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.163 -6.077 3.306 1.00 0.00 H new ATOM 735 N TYR A 90 -9.103 -7.131 1.036 1.00 0.00 N ATOM 736 CA TYR A 90 -7.894 -7.329 0.245 1.00 0.00 C ATOM 737 C TYR A 90 -6.705 -7.656 1.144 1.00 0.00 C ATOM 738 O TYR A 90 -6.196 -6.786 1.853 1.00 0.00 O ATOM 739 CB TYR A 90 -7.591 -6.078 -0.582 1.00 0.00 C ATOM 740 CG TYR A 90 -8.104 -6.159 -2.000 1.00 0.00 C ATOM 741 CD1 TYR A 90 -8.006 -7.340 -2.723 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.688 -5.059 -2.615 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.473 -7.424 -4.016 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.159 -5.137 -3.911 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.050 -6.320 -4.607 1.00 0.00 C ATOM 746 OH TYR A 90 -9.519 -6.404 -5.897 1.00 0.00 O ATOM 0 H TYR A 90 -9.057 -6.340 1.679 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.063 -8.170 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.034 -5.211 -0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.513 -5.917 -0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.556 -8.208 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.775 -4.129 -2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.388 -8.350 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.611 -4.274 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.897 -5.540 -6.165 1.00 0.00 H new ATOM 756 N LYS A 91 -6.262 -8.912 1.105 1.00 0.00 N ATOM 757 CA LYS A 91 -5.125 -9.349 1.912 1.00 0.00 C ATOM 758 C LYS A 91 -3.827 -8.770 1.354 1.00 0.00 C ATOM 759 O LYS A 91 -3.178 -9.380 0.503 1.00 0.00 O ATOM 760 CB LYS A 91 -5.047 -10.879 1.948 1.00 0.00 C ATOM 761 CG LYS A 91 -6.176 -11.535 2.728 1.00 0.00 C ATOM 762 CD LYS A 91 -5.720 -11.971 4.113 1.00 0.00 C ATOM 763 CE LYS A 91 -5.853 -13.476 4.296 1.00 0.00 C ATOM 764 NZ LYS A 91 -5.567 -13.895 5.697 1.00 0.00 N ATOM 0 H LYS A 91 -6.673 -9.643 0.524 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.265 -8.985 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.057 -11.258 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.095 -11.174 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.008 -10.837 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.545 -12.400 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.682 -11.675 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.312 -11.458 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.862 -13.787 4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.168 -13.986 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.669 -14.927 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.596 -13.622 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.237 -13.429 6.342 1.00 0.00 H new ATOM 778 N VAL A 92 -3.466 -7.579 1.826 1.00 0.00 N ATOM 779 CA VAL A 92 -2.257 -6.904 1.364 1.00 0.00 C ATOM 780 C VAL A 92 -1.161 -6.917 2.429 1.00 0.00 C ATOM 781 O VAL A 92 -1.448 -7.015 3.622 1.00 0.00 O ATOM 782 CB VAL A 92 -2.553 -5.445 0.957 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.672 -5.394 -0.075 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.905 -4.600 2.177 1.00 0.00 C ATOM 0 H VAL A 92 -3.994 -7.062 2.529 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.905 -7.456 0.492 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.652 -5.028 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.867 -4.357 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.375 -5.955 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.576 -5.833 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.109 -3.576 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.788 -5.014 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.069 -4.605 2.877 1.00 0.00 H new ATOM 794 N LEU A 93 0.091 -6.805 1.986 1.00 0.00 N ATOM 795 CA LEU A 93 1.237 -6.793 2.893 1.00 0.00 C ATOM 796 C LEU A 93 1.779 -5.375 3.044 1.00 0.00 C ATOM 797 O LEU A 93 1.966 -4.671 2.051 1.00 0.00 O ATOM 798 CB LEU A 93 2.341 -7.722 2.375 1.00 0.00 C ATOM 799 CG LEU A 93 2.395 -9.104 3.036 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.113 -10.102 2.139 1.00 0.00 C ATOM 801 CD2 LEU A 93 3.078 -9.023 4.395 1.00 0.00 C ATOM 0 H LEU A 93 0.337 -6.721 1.000 1.00 0.00 H new ATOM 0 HA LEU A 93 0.906 -7.151 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.207 -7.855 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.304 -7.231 2.518 1.00 0.00 H new ATOM 0 HG LEU A 93 1.372 -9.450 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.140 -11.076 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.582 -10.186 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.131 -9.760 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.106 -10.014 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.095 -8.652 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.522 -8.344 5.042 1.00 0.00 H new ATOM 813 N PHE A 94 2.030 -4.952 4.283 1.00 0.00 N ATOM 814 CA PHE A 94 2.551 -3.607 4.531 1.00 0.00 C ATOM 815 C PHE A 94 4.073 -3.625 4.645 1.00 0.00 C ATOM 816 O PHE A 94 4.673 -4.677 4.867 1.00 0.00 O ATOM 817 CB PHE A 94 1.946 -3.019 5.805 1.00 0.00 C ATOM 818 CG PHE A 94 0.661 -2.270 5.582 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.437 -2.889 4.999 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.552 -0.943 5.961 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.615 -2.194 4.800 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.623 -0.244 5.764 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.707 -0.871 5.184 1.00 0.00 C ATOM 0 H PHE A 94 1.883 -5.513 5.122 1.00 0.00 H new ATOM 0 HA PHE A 94 2.270 -2.981 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.766 -3.826 6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.672 -2.347 6.263 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.370 -3.924 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.397 -0.448 6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.462 -2.685 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.693 0.791 6.063 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.627 -0.327 5.031 1.00 0.00 H new ATOM 833 N PHE A 95 4.694 -2.457 4.484 1.00 0.00 N ATOM 834 CA PHE A 95 6.149 -2.352 4.563 1.00 0.00 C ATOM 835 C PHE A 95 6.581 -1.036 5.207 1.00 0.00 C ATOM 836 O PHE A 95 5.864 -0.036 5.141 1.00 0.00 O ATOM 837 CB PHE A 95 6.762 -2.479 3.164 1.00 0.00 C ATOM 838 CG PHE A 95 6.142 -3.570 2.335 1.00 0.00 C ATOM 839 CD1 PHE A 95 6.616 -4.870 2.408 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.079 -3.297 1.489 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.043 -5.875 1.655 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.501 -4.297 0.734 1.00 0.00 C ATOM 843 CZ PHE A 95 4.983 -5.588 0.817 1.00 0.00 C ATOM 0 H PHE A 95 4.215 -1.576 4.299 1.00 0.00 H new ATOM 0 HA PHE A 95 6.510 -3.166 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.653 -1.529 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.831 -2.669 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.444 -5.100 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.698 -2.289 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.423 -6.884 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.673 -4.070 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.532 -6.373 0.228 1.00 0.00 H new ATOM 853 N PRO A 96 7.770 -1.022 5.845 1.00 0.00 N ATOM 854 CA PRO A 96 8.648 -2.187 5.945 1.00 0.00 C ATOM 855 C PRO A 96 8.297 -3.086 7.135 1.00 0.00 C ATOM 856 O PRO A 96 7.295 -2.864 7.813 1.00 0.00 O ATOM 857 CB PRO A 96 10.044 -1.567 6.132 1.00 0.00 C ATOM 858 CG PRO A 96 9.835 -0.092 6.340 1.00 0.00 C ATOM 859 CD PRO A 96 8.359 0.134 6.520 1.00 0.00 C ATOM 0 HA PRO A 96 8.566 -2.833 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.553 -2.011 6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.670 -1.750 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.385 0.254 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.208 0.472 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.081 0.172 7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.036 1.073 6.071 1.00 0.00 H new ATOM 867 N ASP A 97 9.138 -4.096 7.382 1.00 0.00 N ATOM 868 CA ASP A 97 8.942 -5.037 8.492 1.00 0.00 C ATOM 869 C ASP A 97 7.767 -5.999 8.260 1.00 0.00 C ATOM 870 O ASP A 97 7.497 -6.855 9.103 1.00 0.00 O ATOM 871 CB ASP A 97 8.751 -4.281 9.812 1.00 0.00 C ATOM 872 CG ASP A 97 9.891 -3.322 10.093 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.848 -2.182 9.587 1.00 0.00 O ATOM 874 OD2 ASP A 97 10.830 -3.714 10.816 1.00 0.00 O ATOM 0 H ASP A 97 9.969 -4.284 6.822 1.00 0.00 H new ATOM 0 HA ASP A 97 9.846 -5.644 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.813 -3.727 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.670 -4.997 10.630 1.00 0.00 H new ATOM 879 N PHE A 98 7.083 -5.875 7.115 1.00 0.00 N ATOM 880 CA PHE A 98 5.960 -6.753 6.783 1.00 0.00 C ATOM 881 C PHE A 98 4.832 -6.639 7.812 1.00 0.00 C ATOM 882 O PHE A 98 4.897 -7.239 8.885 1.00 0.00 O ATOM 883 CB PHE A 98 6.439 -8.209 6.696 1.00 0.00 C ATOM 884 CG PHE A 98 7.489 -8.448 5.644 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.818 -8.118 5.874 1.00 0.00 C ATOM 886 CD2 PHE A 98 7.147 -9.013 4.427 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.781 -8.348 4.910 1.00 0.00 C ATOM 888 CE2 PHE A 98 8.105 -9.244 3.459 1.00 0.00 C ATOM 889 CZ PHE A 98 9.423 -8.912 3.700 1.00 0.00 C ATOM 0 H PHE A 98 7.290 -5.173 6.404 1.00 0.00 H new ATOM 0 HA PHE A 98 5.567 -6.438 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.837 -8.508 7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.582 -8.851 6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.102 -7.676 6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.118 -9.276 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.811 -8.088 5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.823 -9.684 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.173 -9.093 2.944 1.00 0.00 H new ATOM 899 N ASN A 99 3.797 -5.866 7.476 1.00 0.00 N ATOM 900 CA ASN A 99 2.655 -5.678 8.375 1.00 0.00 C ATOM 901 C ASN A 99 1.328 -5.779 7.621 1.00 0.00 C ATOM 902 O ASN A 99 0.486 -4.884 7.694 1.00 0.00 O ATOM 903 CB ASN A 99 2.743 -4.325 9.077 1.00 0.00 C ATOM 904 CG ASN A 99 4.071 -4.109 9.778 1.00 0.00 C ATOM 905 OD1 ASN A 99 4.429 -4.850 10.694 1.00 0.00 O ATOM 906 ND2 ASN A 99 4.811 -3.091 9.348 1.00 0.00 N ATOM 0 H ASN A 99 3.725 -5.362 6.592 1.00 0.00 H new ATOM 0 HA ASN A 99 2.690 -6.474 9.119 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.591 -3.531 8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.936 -4.246 9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.715 -2.899 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.475 -2.502 8.586 1.00 0.00 H new ATOM 913 N PHE A 100 1.158 -6.871 6.891 1.00 0.00 N ATOM 914 CA PHE A 100 -0.055 -7.110 6.107 1.00 0.00 C ATOM 915 C PHE A 100 -1.327 -6.773 6.892 1.00 0.00 C ATOM 916 O PHE A 100 -1.354 -6.847 8.122 1.00 0.00 O ATOM 917 CB PHE A 100 -0.103 -8.567 5.639 1.00 0.00 C ATOM 918 CG PHE A 100 0.075 -9.560 6.749 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.333 -9.817 7.269 1.00 0.00 C ATOM 920 CD2 PHE A 100 -1.014 -10.232 7.271 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.499 -10.732 8.290 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.857 -11.147 8.289 1.00 0.00 C ATOM 923 CZ PHE A 100 0.402 -11.399 8.800 1.00 0.00 C ATOM 0 H PHE A 100 1.851 -7.616 6.822 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.017 -6.448 5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.059 -8.751 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.675 -8.726 4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.192 -9.297 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.000 -10.037 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.484 -10.926 8.689 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.716 -11.666 8.687 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.528 -12.117 9.597 1.00 0.00 H new ATOM 933 N ALA A 101 -2.376 -6.405 6.158 1.00 0.00 N ATOM 934 CA ALA A 101 -3.660 -6.046 6.752 1.00 0.00 C ATOM 935 C ALA A 101 -4.823 -6.488 5.864 1.00 0.00 C ATOM 936 O ALA A 101 -4.656 -6.691 4.661 1.00 0.00 O ATOM 937 CB ALA A 101 -3.726 -4.544 6.991 1.00 0.00 C ATOM 0 H ALA A 101 -2.359 -6.348 5.140 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.747 -6.565 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.688 -4.288 7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.924 -4.248 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.613 -4.019 6.042 1.00 0.00 H new ATOM 943 N TRP A 102 -6.003 -6.617 6.470 1.00 0.00 N ATOM 944 CA TRP A 102 -7.205 -7.016 5.742 1.00 0.00 C ATOM 945 C TRP A 102 -8.226 -5.879 5.742 1.00 0.00 C ATOM 946 O TRP A 102 -8.872 -5.614 6.758 1.00 0.00 O ATOM 947 CB TRP A 102 -7.824 -8.286 6.353 1.00 0.00 C ATOM 948 CG TRP A 102 -7.637 -8.411 7.838 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.495 -8.779 8.494 1.00 0.00 C ATOM 950 CD2 TRP A 102 -8.621 -8.175 8.854 1.00 0.00 C ATOM 951 NE1 TRP A 102 -6.708 -8.779 9.851 1.00 0.00 N ATOM 952 CE2 TRP A 102 -8.005 -8.415 10.097 1.00 0.00 C ATOM 953 CE3 TRP A 102 -9.963 -7.783 8.832 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -8.685 -8.275 11.304 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -10.637 -7.644 10.032 1.00 0.00 C ATOM 956 CH2 TRP A 102 -9.998 -7.890 11.252 1.00 0.00 C ATOM 0 H TRP A 102 -6.151 -6.450 7.465 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.921 -7.237 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.891 -8.299 6.130 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.386 -9.159 5.869 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.561 -9.033 8.015 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.013 -9.012 10.560 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -10.464 -7.592 7.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -8.194 -8.463 12.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -11.673 -7.341 10.027 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -10.552 -7.774 12.172 1.00 0.00 H new ATOM 967 N VAL A 103 -8.359 -5.203 4.600 1.00 0.00 N ATOM 968 CA VAL A 103 -9.294 -4.084 4.470 1.00 0.00 C ATOM 969 C VAL A 103 -10.101 -4.175 3.176 1.00 0.00 C ATOM 970 O VAL A 103 -9.709 -4.866 2.235 1.00 0.00 O ATOM 971 CB VAL A 103 -8.563 -2.725 4.509 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.914 -2.504 5.867 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.529 -2.630 3.392 1.00 0.00 C ATOM 0 H VAL A 103 -7.831 -5.411 3.752 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.972 -4.150 5.321 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.301 -1.938 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.404 -1.541 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.680 -2.515 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.192 -3.298 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.028 -1.663 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.794 -3.426 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.025 -2.733 2.427 1.00 0.00 H new ATOM 983 N LYS A 104 -11.229 -3.464 3.134 1.00 0.00 N ATOM 984 CA LYS A 104 -12.094 -3.456 1.956 1.00 0.00 C ATOM 985 C LYS A 104 -11.445 -2.696 0.797 1.00 0.00 C ATOM 986 O LYS A 104 -10.487 -1.946 0.990 1.00 0.00 O ATOM 987 CB LYS A 104 -13.450 -2.832 2.295 1.00 0.00 C ATOM 988 CG LYS A 104 -14.559 -3.220 1.327 1.00 0.00 C ATOM 989 CD LYS A 104 -15.927 -3.165 1.992 1.00 0.00 C ATOM 990 CE LYS A 104 -16.776 -4.371 1.626 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.181 -4.355 0.191 1.00 0.00 N ATOM 0 H LYS A 104 -11.564 -2.886 3.904 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.244 -4.490 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.737 -3.133 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.349 -1.747 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.544 -2.549 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.378 -4.226 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.805 -3.121 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.442 -2.252 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.218 -5.284 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.667 -4.391 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.758 -5.195 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.736 -3.497 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -16.332 -4.362 -0.409 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.985 -2.896 -0.407 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.474 -2.235 -1.609 1.00 0.00 C ATOM 1007 C ARG A 105 -11.631 -0.712 -1.530 1.00 0.00 C ATOM 1008 O ARG A 105 -10.902 0.024 -2.197 1.00 0.00 O ATOM 1009 CB ARG A 105 -12.190 -2.762 -2.859 1.00 0.00 C ATOM 1010 CG ARG A 105 -12.334 -4.279 -2.900 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.583 -4.704 -3.661 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.805 -4.120 -3.103 1.00 0.00 N ATOM 1013 CZ ARG A 105 -16.039 -4.498 -3.451 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -16.220 -5.482 -4.329 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -17.095 -3.894 -2.920 1.00 0.00 N ATOM 0 H ARG A 105 -12.779 -3.513 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.411 -2.465 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.181 -2.312 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.642 -2.436 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.454 -4.716 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.377 -4.668 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.487 -4.408 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.663 -5.791 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.708 -3.381 -2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.414 -5.953 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.164 -5.765 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.966 -3.140 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -18.036 -4.184 -3.187 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.584 -0.244 -0.720 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.824 1.194 -0.567 1.00 0.00 C ATOM 1031 C ASN A 106 -11.672 1.870 0.178 1.00 0.00 C ATOM 1032 O ASN A 106 -11.344 3.025 -0.094 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.151 1.468 0.154 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.284 0.727 1.472 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -14.944 -0.307 1.547 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -13.663 1.257 2.522 1.00 0.00 N ATOM 0 H ASN A 106 -13.199 -0.836 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.886 1.618 -1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.243 2.539 0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.976 1.184 -0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -13.724 0.803 3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.125 2.117 2.416 1.00 0.00 H new ATOM 1043 N SER A 107 -11.052 1.143 1.112 1.00 0.00 N ATOM 1044 CA SER A 107 -9.929 1.682 1.878 1.00 0.00 C ATOM 1045 C SER A 107 -8.598 1.420 1.162 1.00 0.00 C ATOM 1046 O SER A 107 -7.527 1.590 1.750 1.00 0.00 O ATOM 1047 CB SER A 107 -9.893 1.070 3.283 1.00 0.00 C ATOM 1048 OG SER A 107 -11.174 1.100 3.889 1.00 0.00 O ATOM 0 H SER A 107 -11.308 0.186 1.354 1.00 0.00 H new ATOM 0 HA SER A 107 -10.070 2.759 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.539 0.041 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.182 1.617 3.902 1.00 0.00 H new ATOM 0 HG SER A 107 -11.122 0.702 4.783 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.673 1.003 -0.105 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.485 0.712 -0.895 1.00 0.00 C ATOM 1056 C VAL A 108 -7.488 1.498 -2.209 1.00 0.00 C ATOM 1057 O VAL A 108 -8.538 1.689 -2.825 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.388 -0.798 -1.195 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.242 -1.097 -2.154 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.232 -1.588 0.096 1.00 0.00 C ATOM 0 H VAL A 108 -9.552 0.860 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.618 1.017 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.315 -1.106 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.199 -2.169 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.405 -0.566 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.302 -0.770 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.165 -2.651 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.325 -1.270 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.094 -1.409 0.738 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.304 1.945 -2.631 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.156 2.709 -3.869 1.00 0.00 C ATOM 1072 C LYS A 109 -5.006 2.153 -4.714 1.00 0.00 C ATOM 1073 O LYS A 109 -3.920 1.898 -4.196 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.901 4.185 -3.546 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.765 5.068 -4.776 1.00 0.00 C ATOM 1076 CD LYS A 109 -7.084 5.738 -5.130 1.00 0.00 C ATOM 1077 CE LYS A 109 -7.122 6.162 -6.590 1.00 0.00 C ATOM 1078 NZ LYS A 109 -8.466 5.950 -7.199 1.00 0.00 N ATOM 0 H LYS A 109 -5.429 1.789 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.080 2.621 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.719 4.559 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.992 4.265 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.006 5.829 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.422 4.469 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.907 5.052 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.232 6.610 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.850 7.215 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.377 5.598 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.448 6.252 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.715 4.942 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.174 6.508 -6.681 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.231 1.959 -6.031 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.201 1.432 -6.941 1.00 0.00 C ATOM 1094 C PRO A 110 -2.914 2.257 -6.907 1.00 0.00 C ATOM 1095 O PRO A 110 -2.947 3.479 -7.061 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.855 1.524 -8.323 1.00 0.00 C ATOM 1097 CG PRO A 110 -6.322 1.542 -8.056 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.497 2.239 -6.735 1.00 0.00 C ATOM 0 HA PRO A 110 -3.900 0.421 -6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.539 2.424 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.578 0.675 -8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.856 2.068 -8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.724 0.529 -8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.657 3.309 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.356 1.852 -6.187 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.784 1.578 -6.709 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.483 2.245 -6.658 1.00 0.00 C ATOM 1108 C LEU A 111 0.371 1.853 -7.863 1.00 0.00 C ATOM 1109 O LEU A 111 0.228 0.756 -8.405 1.00 0.00 O ATOM 1110 CB LEU A 111 0.247 1.898 -5.357 1.00 0.00 C ATOM 1111 CG LEU A 111 1.429 2.807 -5.010 1.00 0.00 C ATOM 1112 CD1 LEU A 111 0.962 4.243 -4.816 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.141 2.300 -3.764 1.00 0.00 C ATOM 0 H LEU A 111 -1.743 0.567 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.651 3.322 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.470 1.932 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.606 0.871 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 111 2.134 2.788 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.817 4.873 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.499 4.602 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.236 4.283 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.979 2.957 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.444 2.289 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.511 1.290 -3.942 1.00 0.00 H new ATOM 1125 N LEU A 112 1.258 2.757 -8.278 1.00 0.00 N ATOM 1126 CA LEU A 112 2.132 2.508 -9.422 1.00 0.00 C ATOM 1127 C LEU A 112 3.583 2.858 -9.095 1.00 0.00 C ATOM 1128 O LEU A 112 3.866 3.474 -8.067 1.00 0.00 O ATOM 1129 CB LEU A 112 1.659 3.309 -10.644 1.00 0.00 C ATOM 1130 CG LEU A 112 1.050 4.681 -10.337 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.269 5.639 -11.497 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.434 4.548 -10.028 1.00 0.00 C ATOM 0 H LEU A 112 1.390 3.668 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 112 2.082 1.444 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.506 3.449 -11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.920 2.715 -11.182 1.00 0.00 H new ATOM 0 HG LEU A 112 1.551 5.088 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.829 6.607 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.338 5.760 -11.672 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.798 5.238 -12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.850 5.532 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.947 4.117 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.569 3.899 -9.162 1.00 0.00 H new ATOM 1144 N ASP A 113 4.497 2.457 -9.977 1.00 0.00 N ATOM 1145 CA ASP A 113 5.923 2.720 -9.786 1.00 0.00 C ATOM 1146 C ASP A 113 6.236 4.204 -9.918 1.00 0.00 C ATOM 1147 O ASP A 113 7.053 4.736 -9.169 1.00 0.00 O ATOM 1148 CB ASP A 113 6.759 1.917 -10.785 1.00 0.00 C ATOM 1149 CG ASP A 113 7.301 0.640 -10.177 1.00 0.00 C ATOM 1150 OD1 ASP A 113 6.606 -0.395 -10.254 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.418 0.676 -9.618 1.00 0.00 O ATOM 0 H ASP A 113 4.275 1.948 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 113 6.182 2.406 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.149 1.673 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.588 2.530 -11.139 1.00 0.00 H new ATOM 1156 N SER A 114 5.580 4.874 -10.866 1.00 0.00 N ATOM 1157 CA SER A 114 5.796 6.304 -11.073 1.00 0.00 C ATOM 1158 C SER A 114 5.410 7.096 -9.822 1.00 0.00 C ATOM 1159 O SER A 114 6.003 8.136 -9.529 1.00 0.00 O ATOM 1160 CB SER A 114 5.002 6.798 -12.287 1.00 0.00 C ATOM 1161 OG SER A 114 3.678 7.157 -11.931 1.00 0.00 O ATOM 0 H SER A 114 4.900 4.452 -11.498 1.00 0.00 H new ATOM 0 HA SER A 114 6.857 6.464 -11.266 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.507 7.657 -12.728 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.976 6.018 -13.048 1.00 0.00 H new ATOM 0 HG SER A 114 3.199 7.469 -12.727 1.00 0.00 H new ATOM 1167 N GLU A 115 4.416 6.595 -9.083 1.00 0.00 N ATOM 1168 CA GLU A 115 3.962 7.258 -7.863 1.00 0.00 C ATOM 1169 C GLU A 115 4.927 6.995 -6.710 1.00 0.00 C ATOM 1170 O GLU A 115 5.299 7.914 -5.983 1.00 0.00 O ATOM 1171 CB GLU A 115 2.551 6.796 -7.488 1.00 0.00 C ATOM 1172 CG GLU A 115 1.448 7.585 -8.178 1.00 0.00 C ATOM 1173 CD GLU A 115 0.439 8.152 -7.198 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.675 9.264 -6.679 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.587 7.483 -6.950 1.00 0.00 O ATOM 0 H GLU A 115 3.914 5.736 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 115 3.937 8.331 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.444 5.741 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.425 6.880 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.892 8.400 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.935 6.939 -8.890 1.00 0.00 H new ATOM 1182 N ILE A 116 5.344 5.741 -6.553 1.00 0.00 N ATOM 1183 CA ILE A 116 6.284 5.379 -5.495 1.00 0.00 C ATOM 1184 C ILE A 116 7.657 5.979 -5.781 1.00 0.00 C ATOM 1185 O ILE A 116 8.340 6.463 -4.876 1.00 0.00 O ATOM 1186 CB ILE A 116 6.414 3.847 -5.339 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.032 3.202 -5.190 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.292 3.511 -4.140 1.00 0.00 C ATOM 1189 CD1 ILE A 116 4.994 1.746 -5.602 1.00 0.00 C ATOM 0 H ILE A 116 5.048 4.962 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 116 5.892 5.782 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 116 6.884 3.446 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.712 3.285 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.314 3.760 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.375 2.429 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.284 3.939 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.846 3.924 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.985 1.357 -5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.283 1.657 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.687 1.175 -4.984 1.00 0.00 H new ATOM 1201 N ALA A 117 8.044 5.958 -7.058 1.00 0.00 N ATOM 1202 CA ALA A 117 9.323 6.510 -7.496 1.00 0.00 C ATOM 1203 C ALA A 117 9.451 7.966 -7.074 1.00 0.00 C ATOM 1204 O ALA A 117 10.361 8.337 -6.332 1.00 0.00 O ATOM 1205 CB ALA A 117 9.431 6.412 -9.008 1.00 0.00 C ATOM 0 H ALA A 117 7.483 5.560 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 117 10.125 5.937 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.386 6.825 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.366 5.367 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.618 6.974 -9.468 1.00 0.00 H new ATOM 1211 N LYS A 118 8.516 8.781 -7.557 1.00 0.00 N ATOM 1212 CA LYS A 118 8.489 10.202 -7.248 1.00 0.00 C ATOM 1213 C LYS A 118 8.268 10.420 -5.755 1.00 0.00 C ATOM 1214 O LYS A 118 8.887 11.296 -5.149 1.00 0.00 O ATOM 1215 CB LYS A 118 7.390 10.880 -8.076 1.00 0.00 C ATOM 1216 CG LYS A 118 6.255 11.480 -7.264 1.00 0.00 C ATOM 1217 CD LYS A 118 5.178 10.442 -7.010 1.00 0.00 C ATOM 1218 CE LYS A 118 3.797 10.959 -7.377 1.00 0.00 C ATOM 1219 NZ LYS A 118 3.143 11.655 -6.233 1.00 0.00 N ATOM 0 H LYS A 118 7.761 8.474 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 118 9.449 10.649 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.843 11.668 -8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.974 10.149 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.638 11.856 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.830 12.331 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.395 9.544 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.191 10.155 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.878 11.644 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.172 10.127 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.203 11.993 -6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.042 10.994 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.726 12.464 -5.940 1.00 0.00 H new ATOM 1233 N PHE A 119 7.375 9.619 -5.170 1.00 0.00 N ATOM 1234 CA PHE A 119 7.073 9.726 -3.740 1.00 0.00 C ATOM 1235 C PHE A 119 8.355 9.738 -2.917 1.00 0.00 C ATOM 1236 O PHE A 119 8.582 10.646 -2.116 1.00 0.00 O ATOM 1237 CB PHE A 119 6.177 8.572 -3.271 1.00 0.00 C ATOM 1238 CG PHE A 119 6.060 8.478 -1.772 1.00 0.00 C ATOM 1239 CD1 PHE A 119 7.062 7.878 -1.022 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.958 8.997 -1.113 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.967 7.799 0.354 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.857 8.919 0.264 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.863 8.319 0.995 1.00 0.00 C ATOM 0 H PHE A 119 6.851 8.894 -5.660 1.00 0.00 H new ATOM 0 HA PHE A 119 6.540 10.665 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 119 5.182 8.697 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.574 7.633 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.927 7.467 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 119 4.169 9.468 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.755 7.331 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.993 9.327 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.785 8.257 2.070 1.00 0.00 H new ATOM 1253 N LEU A 120 9.186 8.717 -3.113 1.00 0.00 N ATOM 1254 CA LEU A 120 10.445 8.603 -2.385 1.00 0.00 C ATOM 1255 C LEU A 120 11.336 9.816 -2.632 1.00 0.00 C ATOM 1256 O LEU A 120 12.113 10.213 -1.761 1.00 0.00 O ATOM 1257 CB LEU A 120 11.178 7.330 -2.792 1.00 0.00 C ATOM 1258 CG LEU A 120 10.461 6.034 -2.415 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.692 4.966 -3.475 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.931 5.552 -1.052 1.00 0.00 C ATOM 0 H LEU A 120 9.009 7.957 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 120 10.213 8.559 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.331 7.344 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.165 7.331 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 120 9.390 6.230 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.174 4.051 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.308 5.316 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.760 4.766 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.413 4.628 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.005 5.370 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.712 6.312 -0.302 1.00 0.00 H new ATOM 1272 N GLY A 121 11.205 10.412 -3.819 1.00 0.00 N ATOM 1273 CA GLY A 121 11.992 11.585 -4.150 1.00 0.00 C ATOM 1274 C GLY A 121 11.295 12.882 -3.767 1.00 0.00 C ATOM 1275 O GLY A 121 11.665 13.954 -4.250 1.00 0.00 O ATOM 0 H GLY A 121 10.569 10.102 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.954 11.529 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 121 12.199 11.590 -5.220 1.00 0.00 H new ATOM 1369 N SER A 127 9.405 11.895 4.937 1.00 0.00 N ATOM 1370 CA SER A 127 9.734 11.430 6.283 1.00 0.00 C ATOM 1371 C SER A 127 10.417 10.067 6.222 1.00 0.00 C ATOM 1372 O SER A 127 10.132 9.268 5.331 1.00 0.00 O ATOM 1373 CB SER A 127 8.470 11.346 7.147 1.00 0.00 C ATOM 1374 OG SER A 127 7.303 11.625 6.390 1.00 0.00 O ATOM 0 HA SER A 127 10.419 12.147 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.392 10.350 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.546 12.052 7.974 1.00 0.00 H new ATOM 0 HG SER A 127 7.556 11.862 5.474 1.00 0.00 H new ATOM 1380 N LYS A 128 11.314 9.802 7.171 1.00 0.00 N ATOM 1381 CA LYS A 128 12.026 8.524 7.214 1.00 0.00 C ATOM 1382 C LYS A 128 11.037 7.363 7.252 1.00 0.00 C ATOM 1383 O LYS A 128 11.177 6.393 6.507 1.00 0.00 O ATOM 1384 CB LYS A 128 12.959 8.461 8.429 1.00 0.00 C ATOM 1385 CG LYS A 128 14.430 8.317 8.061 1.00 0.00 C ATOM 1386 CD LYS A 128 15.320 9.177 8.946 1.00 0.00 C ATOM 1387 CE LYS A 128 16.255 8.327 9.794 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.620 8.921 9.887 1.00 0.00 N ATOM 0 H LYS A 128 11.565 10.451 7.917 1.00 0.00 H new ATOM 0 HA LYS A 128 12.630 8.442 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.829 9.365 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.666 7.620 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.727 7.272 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.573 8.599 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.906 9.855 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.700 9.795 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 128 15.838 8.218 10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.323 7.327 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.225 8.311 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.029 9.002 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.559 9.865 10.319 1.00 0.00 H new ATOM 1402 N GLU A 129 10.029 7.480 8.118 1.00 0.00 N ATOM 1403 CA GLU A 129 9.002 6.450 8.250 1.00 0.00 C ATOM 1404 C GLU A 129 8.195 6.315 6.957 1.00 0.00 C ATOM 1405 O GLU A 129 7.774 5.214 6.593 1.00 0.00 O ATOM 1406 CB GLU A 129 8.062 6.770 9.419 1.00 0.00 C ATOM 1407 CG GLU A 129 7.438 8.159 9.339 1.00 0.00 C ATOM 1408 CD GLU A 129 7.806 9.051 10.514 1.00 0.00 C ATOM 1409 OE1 GLU A 129 8.981 9.022 10.941 1.00 0.00 O ATOM 1410 OE2 GLU A 129 6.919 9.785 10.999 1.00 0.00 O ATOM 0 H GLU A 129 9.903 8.280 8.739 1.00 0.00 H new ATOM 0 HA GLU A 129 9.503 5.503 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.267 6.025 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.616 6.683 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.755 8.640 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.353 8.061 9.292 1.00 0.00 H new ATOM 1417 N LEU A 130 7.980 7.438 6.266 1.00 0.00 N ATOM 1418 CA LEU A 130 7.218 7.434 5.016 1.00 0.00 C ATOM 1419 C LEU A 130 8.056 6.888 3.865 1.00 0.00 C ATOM 1420 O LEU A 130 7.617 5.993 3.142 1.00 0.00 O ATOM 1421 CB LEU A 130 6.716 8.847 4.677 1.00 0.00 C ATOM 1422 CG LEU A 130 5.271 9.152 5.084 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.295 8.289 4.295 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.076 8.954 6.582 1.00 0.00 C ATOM 0 H LEU A 130 8.321 8.356 6.550 1.00 0.00 H new ATOM 0 HA LEU A 130 6.357 6.781 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.371 9.572 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.811 8.999 3.602 1.00 0.00 H new ATOM 0 HG LEU A 130 5.067 10.197 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.275 8.522 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.410 8.490 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.500 7.236 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.042 9.177 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.304 7.921 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.742 9.623 7.127 1.00 0.00 H new ATOM 1436 N ILE A 131 9.260 7.429 3.693 1.00 0.00 N ATOM 1437 CA ILE A 131 10.145 6.984 2.622 1.00 0.00 C ATOM 1438 C ILE A 131 10.439 5.495 2.749 1.00 0.00 C ATOM 1439 O ILE A 131 10.279 4.742 1.789 1.00 0.00 O ATOM 1440 CB ILE A 131 11.476 7.760 2.604 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.223 9.267 2.490 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.347 7.274 1.452 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.224 10.113 3.250 1.00 0.00 C ATOM 0 H ILE A 131 9.642 8.172 4.278 1.00 0.00 H new ATOM 0 HA ILE A 131 9.622 7.180 1.686 1.00 0.00 H new ATOM 0 HB ILE A 131 12.000 7.576 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.245 9.551 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.221 9.487 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.286 7.828 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.554 6.211 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.826 7.435 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.980 11.168 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.186 9.858 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.226 9.923 2.866 1.00 0.00 H new ATOM 1455 N GLU A 132 10.861 5.073 3.940 1.00 0.00 N ATOM 1456 CA GLU A 132 11.167 3.667 4.188 1.00 0.00 C ATOM 1457 C GLU A 132 9.986 2.782 3.803 1.00 0.00 C ATOM 1458 O GLU A 132 10.167 1.635 3.390 1.00 0.00 O ATOM 1459 CB GLU A 132 11.530 3.449 5.656 1.00 0.00 C ATOM 1460 CG GLU A 132 12.982 3.767 5.973 1.00 0.00 C ATOM 1461 CD GLU A 132 13.249 3.833 7.462 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.447 2.765 8.078 1.00 0.00 O ATOM 1463 OE2 GLU A 132 13.263 4.953 8.015 1.00 0.00 O ATOM 0 H GLU A 132 10.998 5.683 4.746 1.00 0.00 H new ATOM 0 HA GLU A 132 12.022 3.392 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.886 4.070 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.326 2.412 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.623 3.007 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.250 4.720 5.516 1.00 0.00 H new ATOM 1470 N ALA A 133 8.773 3.322 3.933 1.00 0.00 N ATOM 1471 CA ALA A 133 7.569 2.583 3.589 1.00 0.00 C ATOM 1472 C ALA A 133 7.495 2.323 2.096 1.00 0.00 C ATOM 1473 O ALA A 133 7.403 1.175 1.658 1.00 0.00 O ATOM 1474 CB ALA A 133 6.338 3.341 4.046 1.00 0.00 C ATOM 0 H ALA A 133 8.604 4.268 4.274 1.00 0.00 H new ATOM 0 HA ALA A 133 7.606 1.622 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.444 2.776 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.375 3.477 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.309 4.315 3.558 1.00 0.00 H new ATOM 1480 N TYR A 134 7.534 3.397 1.317 1.00 0.00 N ATOM 1481 CA TYR A 134 7.468 3.284 -0.136 1.00 0.00 C ATOM 1482 C TYR A 134 8.717 2.605 -0.688 1.00 0.00 C ATOM 1483 O TYR A 134 8.661 1.936 -1.720 1.00 0.00 O ATOM 1484 CB TYR A 134 7.269 4.657 -0.779 1.00 0.00 C ATOM 1485 CG TYR A 134 5.818 5.090 -0.830 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.112 5.373 0.334 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.152 5.219 -2.045 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.789 5.773 0.290 1.00 0.00 C ATOM 1489 CE2 TYR A 134 3.831 5.618 -2.097 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.153 5.894 -0.928 1.00 0.00 C ATOM 1491 OH TYR A 134 1.838 6.298 -0.980 1.00 0.00 O ATOM 0 H TYR A 134 7.611 4.353 1.665 1.00 0.00 H new ATOM 0 HA TYR A 134 6.608 2.663 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.843 5.398 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 134 7.671 4.638 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.606 5.279 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 134 5.678 5.003 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.257 5.989 1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.331 5.714 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 134 1.543 6.332 -1.914 1.00 0.00 H new ATOM 1501 N GLU A 135 9.843 2.762 0.010 1.00 0.00 N ATOM 1502 CA GLU A 135 11.094 2.142 -0.411 1.00 0.00 C ATOM 1503 C GLU A 135 11.077 0.644 -0.120 1.00 0.00 C ATOM 1504 O GLU A 135 11.745 -0.133 -0.803 1.00 0.00 O ATOM 1505 CB GLU A 135 12.287 2.792 0.292 1.00 0.00 C ATOM 1506 CG GLU A 135 13.330 3.345 -0.668 1.00 0.00 C ATOM 1507 CD GLU A 135 14.569 2.472 -0.763 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.078 2.041 0.294 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.031 2.222 -1.895 1.00 0.00 O ATOM 0 H GLU A 135 9.911 3.312 0.866 1.00 0.00 H new ATOM 0 HA GLU A 135 11.196 2.293 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.927 3.600 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.759 2.057 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.887 3.447 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.620 4.345 -0.345 1.00 0.00 H new ATOM 1516 N ALA A 136 10.306 0.242 0.892 1.00 0.00 N ATOM 1517 CA ALA A 136 10.206 -1.165 1.261 1.00 0.00 C ATOM 1518 C ALA A 136 9.255 -1.909 0.323 1.00 0.00 C ATOM 1519 O ALA A 136 9.484 -3.074 -0.012 1.00 0.00 O ATOM 1520 CB ALA A 136 9.746 -1.303 2.702 1.00 0.00 C ATOM 0 H ALA A 136 9.745 0.871 1.467 1.00 0.00 H new ATOM 0 HA ALA A 136 11.195 -1.613 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.676 -2.359 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.463 -0.813 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.768 -0.835 2.818 1.00 0.00 H new ATOM 1526 N SER A 137 8.187 -1.228 -0.097 1.00 0.00 N ATOM 1527 CA SER A 137 7.193 -1.817 -0.995 1.00 0.00 C ATOM 1528 C SER A 137 7.660 -1.780 -2.452 1.00 0.00 C ATOM 1529 O SER A 137 7.317 -2.664 -3.241 1.00 0.00 O ATOM 1530 CB SER A 137 5.854 -1.082 -0.855 1.00 0.00 C ATOM 1531 OG SER A 137 4.841 -1.706 -1.629 1.00 0.00 O ATOM 0 H SER A 137 7.988 -0.264 0.172 1.00 0.00 H new ATOM 0 HA SER A 137 7.065 -2.861 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.555 -1.063 0.193 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.970 -0.046 -1.172 1.00 0.00 H new ATOM 0 HG SER A 137 4.537 -2.519 -1.175 1.00 0.00 H new ATOM 1537 N LYS A 138 8.432 -0.752 -2.809 1.00 0.00 N ATOM 1538 CA LYS A 138 8.936 -0.604 -4.175 1.00 0.00 C ATOM 1539 C LYS A 138 9.730 -1.833 -4.618 1.00 0.00 C ATOM 1540 O LYS A 138 9.572 -2.300 -5.745 1.00 0.00 O ATOM 1541 CB LYS A 138 9.813 0.646 -4.290 1.00 0.00 C ATOM 1542 CG LYS A 138 10.156 1.028 -5.723 1.00 0.00 C ATOM 1543 CD LYS A 138 9.700 2.442 -6.046 1.00 0.00 C ATOM 1544 CE LYS A 138 10.406 2.991 -7.277 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.625 3.771 -6.921 1.00 0.00 N ATOM 0 H LYS A 138 8.722 -0.010 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 138 8.072 -0.501 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.301 1.482 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 138 10.738 0.482 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.232 0.948 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.684 0.326 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.623 2.449 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.896 3.092 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.682 2.166 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.719 3.627 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.950 4.306 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.401 4.431 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.376 3.120 -6.613 1.00 0.00 H new ATOM 1559 N THR A 139 10.586 -2.338 -3.724 1.00 0.00 N ATOM 1560 CA THR A 139 11.426 -3.511 -4.002 1.00 0.00 C ATOM 1561 C THR A 139 10.683 -4.576 -4.815 1.00 0.00 C ATOM 1562 O THR A 139 9.911 -5.360 -4.259 1.00 0.00 O ATOM 1563 CB THR A 139 11.928 -4.125 -2.690 1.00 0.00 C ATOM 1564 OG1 THR A 139 11.938 -3.160 -1.652 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.323 -4.702 -2.787 1.00 0.00 C ATOM 0 H THR A 139 10.717 -1.948 -2.791 1.00 0.00 H new ATOM 0 HA THR A 139 12.271 -3.166 -4.598 1.00 0.00 H new ATOM 0 HB THR A 139 11.232 -4.935 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.097 -3.209 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.612 -5.119 -1.822 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.340 -5.488 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 139 14.023 -3.915 -3.067 1.00 0.00 H new