USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 501 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 83 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.26) USER MOD Set 1.2: A 84 ASN : amide:sc= 0 K(o=-1.2,f=-0.26) USER MOD Set 2.1: A 75 TYR OH : rot 180:sc= -0.123 USER MOD Set 2.2: A 87 HIS : no HD1:sc= -0.121 X(o=-0.24,f=0.046) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 70 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 74 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 86 THR OG1 : rot -44:sc= 0.818 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.56) USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0643) USER MOD Single : A 104 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -3.838 -11.583 -3.860 1.00 0.00 N ATOM 118 CA ILE A 46 -2.838 -10.526 -4.010 1.00 0.00 C ATOM 119 C ILE A 46 -1.437 -11.002 -3.596 1.00 0.00 C ATOM 120 O ILE A 46 -0.444 -10.332 -3.883 1.00 0.00 O ATOM 121 CB ILE A 46 -3.210 -9.276 -3.185 1.00 0.00 C ATOM 122 CG1 ILE A 46 -4.672 -8.881 -3.426 1.00 0.00 C ATOM 123 CG2 ILE A 46 -2.283 -8.119 -3.528 1.00 0.00 C ATOM 124 CD1 ILE A 46 -5.348 -8.280 -2.211 1.00 0.00 C ATOM 0 HA ILE A 46 -2.823 -10.266 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.091 -9.516 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.715 -8.165 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.230 -9.762 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.558 -7.245 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.254 -8.399 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.372 -7.883 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.379 -8.025 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.337 -9.002 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.815 -7.380 -1.906 1.00 0.00 H new ATOM 136 N ALA A 47 -1.355 -12.159 -2.925 1.00 0.00 N ATOM 137 CA ALA A 47 -0.069 -12.705 -2.487 1.00 0.00 C ATOM 138 C ALA A 47 0.894 -12.879 -3.666 1.00 0.00 C ATOM 139 O ALA A 47 2.110 -12.771 -3.502 1.00 0.00 O ATOM 140 CB ALA A 47 -0.271 -14.032 -1.770 1.00 0.00 C ATOM 0 H ALA A 47 -2.162 -12.731 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 47 0.376 -11.993 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.695 -14.424 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.907 -13.881 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.745 -14.743 -2.447 1.00 0.00 H new ATOM 146 N ASN A 48 0.338 -13.138 -4.854 1.00 0.00 N ATOM 147 CA ASN A 48 1.143 -13.312 -6.065 1.00 0.00 C ATOM 148 C ASN A 48 1.598 -11.961 -6.618 1.00 0.00 C ATOM 149 O ASN A 48 2.631 -11.872 -7.284 1.00 0.00 O ATOM 150 CB ASN A 48 0.352 -14.069 -7.141 1.00 0.00 C ATOM 151 CG ASN A 48 -0.352 -15.302 -6.600 1.00 0.00 C ATOM 152 OD1 ASN A 48 -1.560 -15.462 -6.769 1.00 0.00 O ATOM 153 ND2 ASN A 48 0.400 -16.182 -5.942 1.00 0.00 N ATOM 0 H ASN A 48 -0.667 -13.232 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 48 2.023 -13.896 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.387 -13.399 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.030 -14.366 -7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.023 -17.026 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.399 -16.012 -5.824 1.00 0.00 H new ATOM 160 N PHE A 49 0.818 -10.914 -6.341 1.00 0.00 N ATOM 161 CA PHE A 49 1.130 -9.565 -6.807 1.00 0.00 C ATOM 162 C PHE A 49 2.442 -9.062 -6.210 1.00 0.00 C ATOM 163 O PHE A 49 3.369 -8.706 -6.940 1.00 0.00 O ATOM 164 CB PHE A 49 -0.011 -8.612 -6.442 1.00 0.00 C ATOM 165 CG PHE A 49 -0.641 -7.933 -7.625 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.028 -8.661 -8.739 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.850 -6.565 -7.618 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.609 -8.036 -9.823 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.432 -5.934 -8.698 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.813 -6.669 -9.801 1.00 0.00 C ATOM 0 H PHE A 49 -0.040 -10.978 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 49 1.244 -9.598 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.778 -9.169 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.368 -7.852 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.873 -9.730 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.554 -5.984 -6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.904 -8.613 -10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.589 -4.866 -8.680 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.270 -6.177 -10.647 1.00 0.00 H new ATOM 180 N LEU A 50 2.510 -9.040 -4.881 1.00 0.00 N ATOM 181 CA LEU A 50 3.709 -8.586 -4.175 1.00 0.00 C ATOM 182 C LEU A 50 4.825 -9.627 -4.277 1.00 0.00 C ATOM 183 O LEU A 50 4.622 -10.721 -4.810 1.00 0.00 O ATOM 184 CB LEU A 50 3.391 -8.301 -2.701 1.00 0.00 C ATOM 185 CG LEU A 50 2.656 -6.984 -2.432 1.00 0.00 C ATOM 186 CD1 LEU A 50 1.207 -7.249 -2.051 1.00 0.00 C ATOM 187 CD2 LEU A 50 3.363 -6.192 -1.339 1.00 0.00 C ATOM 0 H LEU A 50 1.748 -9.332 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 50 4.049 -7.664 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.787 -9.121 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.325 -8.298 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 50 2.666 -6.391 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.701 -6.302 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.707 -7.773 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.174 -7.862 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.827 -5.260 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.385 -6.779 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.383 -5.970 -1.652 1.00 0.00 H new ATOM 199 N GLU A 51 6.003 -9.283 -3.762 1.00 0.00 N ATOM 200 CA GLU A 51 7.146 -10.189 -3.795 1.00 0.00 C ATOM 201 C GLU A 51 7.446 -10.737 -2.402 1.00 0.00 C ATOM 202 O GLU A 51 7.071 -10.130 -1.397 1.00 0.00 O ATOM 203 CB GLU A 51 8.379 -9.476 -4.362 1.00 0.00 C ATOM 204 CG GLU A 51 8.107 -8.728 -5.664 1.00 0.00 C ATOM 205 CD GLU A 51 8.014 -9.641 -6.878 1.00 0.00 C ATOM 206 OE1 GLU A 51 7.629 -10.820 -6.720 1.00 0.00 O ATOM 207 OE2 GLU A 51 8.325 -9.171 -7.993 1.00 0.00 O ATOM 0 H GLU A 51 6.190 -8.384 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 51 6.896 -11.027 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.754 -8.772 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.167 -10.210 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.176 -8.170 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.900 -7.998 -5.827 1.00 0.00 H new ATOM 214 N PRO A 52 8.130 -11.897 -2.322 1.00 0.00 N ATOM 215 CA PRO A 52 8.479 -12.529 -1.041 1.00 0.00 C ATOM 216 C PRO A 52 9.214 -11.573 -0.103 1.00 0.00 C ATOM 217 O PRO A 52 8.891 -11.489 1.083 1.00 0.00 O ATOM 218 CB PRO A 52 9.393 -13.689 -1.449 1.00 0.00 C ATOM 219 CG PRO A 52 9.014 -13.996 -2.855 1.00 0.00 C ATOM 220 CD PRO A 52 8.611 -12.686 -3.473 1.00 0.00 C ATOM 0 HA PRO A 52 7.593 -12.844 -0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.444 -13.409 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.247 -14.554 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.849 -14.441 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.193 -14.712 -2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.451 -12.201 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.831 -12.819 -4.223 1.00 0.00 H new ATOM 228 N GLN A 53 10.195 -10.849 -0.643 1.00 0.00 N ATOM 229 CA GLN A 53 10.968 -9.893 0.146 1.00 0.00 C ATOM 230 C GLN A 53 10.104 -8.701 0.550 1.00 0.00 C ATOM 231 O GLN A 53 10.101 -8.294 1.713 1.00 0.00 O ATOM 232 CB GLN A 53 12.188 -9.409 -0.641 1.00 0.00 C ATOM 233 CG GLN A 53 13.497 -10.022 -0.170 1.00 0.00 C ATOM 234 CD GLN A 53 14.264 -10.695 -1.292 1.00 0.00 C ATOM 235 OE1 GLN A 53 14.448 -11.912 -1.289 1.00 0.00 O ATOM 236 NE2 GLN A 53 14.716 -9.905 -2.260 1.00 0.00 N ATOM 0 H GLN A 53 10.472 -10.907 -1.623 1.00 0.00 H new ATOM 0 HA GLN A 53 11.309 -10.399 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.046 -9.643 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.255 -8.324 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.119 -9.245 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.291 -10.752 0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.541 -8.901 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.238 -10.303 -3.041 1.00 0.00 H new ATOM 245 N ALA A 54 9.366 -8.152 -0.417 1.00 0.00 N ATOM 246 CA ALA A 54 8.489 -7.011 -0.163 1.00 0.00 C ATOM 247 C ALA A 54 7.426 -7.356 0.881 1.00 0.00 C ATOM 248 O ALA A 54 7.096 -6.531 1.735 1.00 0.00 O ATOM 249 CB ALA A 54 7.831 -6.556 -1.458 1.00 0.00 C ATOM 0 H ALA A 54 9.359 -8.480 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 54 9.096 -6.196 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.180 -5.705 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.600 -6.263 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.242 -7.373 -1.873 1.00 0.00 H new ATOM 255 N LEU A 55 6.899 -8.580 0.810 1.00 0.00 N ATOM 256 CA LEU A 55 5.878 -9.036 1.752 1.00 0.00 C ATOM 257 C LEU A 55 6.459 -9.178 3.157 1.00 0.00 C ATOM 258 O LEU A 55 5.854 -8.728 4.130 1.00 0.00 O ATOM 259 CB LEU A 55 5.285 -10.374 1.300 1.00 0.00 C ATOM 260 CG LEU A 55 4.183 -10.272 0.241 1.00 0.00 C ATOM 261 CD1 LEU A 55 4.149 -11.530 -0.616 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.829 -10.034 0.900 1.00 0.00 C ATOM 0 H LEU A 55 7.163 -9.273 0.109 1.00 0.00 H new ATOM 0 HA LEU A 55 5.087 -8.287 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.089 -10.996 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.882 -10.889 2.173 1.00 0.00 H new ATOM 0 HG LEU A 55 4.403 -9.423 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.360 -11.440 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.109 -11.656 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.953 -12.396 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.058 -9.964 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.600 -10.863 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.860 -9.105 1.469 1.00 0.00 H new ATOM 274 N GLU A 56 7.638 -9.797 3.255 1.00 0.00 N ATOM 275 CA GLU A 56 8.302 -9.986 4.545 1.00 0.00 C ATOM 276 C GLU A 56 8.530 -8.642 5.238 1.00 0.00 C ATOM 277 O GLU A 56 8.326 -8.516 6.447 1.00 0.00 O ATOM 278 CB GLU A 56 9.638 -10.715 4.360 1.00 0.00 C ATOM 279 CG GLU A 56 9.929 -11.738 5.448 1.00 0.00 C ATOM 280 CD GLU A 56 11.132 -12.607 5.132 1.00 0.00 C ATOM 281 OE1 GLU A 56 11.036 -13.442 4.207 1.00 0.00 O ATOM 282 OE2 GLU A 56 12.170 -12.454 5.810 1.00 0.00 O ATOM 0 H GLU A 56 8.151 -10.175 2.458 1.00 0.00 H new ATOM 0 HA GLU A 56 7.653 -10.596 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.638 -11.216 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.443 -9.981 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.099 -11.220 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.054 -12.373 5.586 1.00 0.00 H new ATOM 289 N ARG A 57 8.943 -7.639 4.459 1.00 0.00 N ATOM 290 CA ARG A 57 9.189 -6.303 4.988 1.00 0.00 C ATOM 291 C ARG A 57 7.890 -5.659 5.476 1.00 0.00 C ATOM 292 O ARG A 57 7.867 -5.020 6.530 1.00 0.00 O ATOM 293 CB ARG A 57 9.840 -5.422 3.917 1.00 0.00 C ATOM 294 CG ARG A 57 10.799 -4.389 4.480 1.00 0.00 C ATOM 295 CD ARG A 57 10.063 -3.143 4.944 1.00 0.00 C ATOM 296 NE ARG A 57 10.636 -2.592 6.172 1.00 0.00 N ATOM 297 CZ ARG A 57 10.515 -1.317 6.555 1.00 0.00 C ATOM 298 NH1 ARG A 57 9.835 -0.446 5.811 1.00 0.00 N ATOM 299 NH2 ARG A 57 11.076 -0.912 7.690 1.00 0.00 N ATOM 0 H ARG A 57 9.113 -7.731 3.458 1.00 0.00 H new ATOM 0 HA ARG A 57 9.867 -6.394 5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.376 -6.058 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.059 -4.911 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.351 -4.820 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.532 -4.118 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.097 -2.388 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.013 -3.383 5.110 1.00 0.00 H new ATOM 0 HE ARG A 57 11.163 -3.223 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.400 -0.750 4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.749 0.525 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.597 -1.573 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.986 0.060 7.985 1.00 0.00 H new ATOM 313 N LEU A 58 6.814 -5.831 4.703 1.00 0.00 N ATOM 314 CA LEU A 58 5.509 -5.268 5.056 1.00 0.00 C ATOM 315 C LEU A 58 5.046 -5.761 6.430 1.00 0.00 C ATOM 316 O LEU A 58 4.458 -5.000 7.199 1.00 0.00 O ATOM 317 CB LEU A 58 4.463 -5.612 3.989 1.00 0.00 C ATOM 318 CG LEU A 58 3.236 -4.691 3.954 1.00 0.00 C ATOM 319 CD1 LEU A 58 3.656 -3.234 3.801 1.00 0.00 C ATOM 320 CD2 LEU A 58 2.294 -5.098 2.828 1.00 0.00 C ATOM 0 H LEU A 58 6.822 -6.356 3.828 1.00 0.00 H new ATOM 0 HA LEU A 58 5.618 -4.184 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.944 -5.587 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.124 -6.635 4.152 1.00 0.00 H new ATOM 0 HG LEU A 58 2.706 -4.794 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.769 -2.600 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.286 -2.947 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.213 -3.112 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.430 -4.434 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.816 -5.028 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.961 -6.124 2.985 1.00 0.00 H new ATOM 332 N SER A 59 5.320 -7.031 6.738 1.00 0.00 N ATOM 333 CA SER A 59 4.937 -7.607 8.030 1.00 0.00 C ATOM 334 C SER A 59 5.686 -6.917 9.171 1.00 0.00 C ATOM 335 O SER A 59 5.102 -6.616 10.213 1.00 0.00 O ATOM 336 CB SER A 59 5.219 -9.114 8.066 1.00 0.00 C ATOM 337 OG SER A 59 5.162 -9.686 6.770 1.00 0.00 O ATOM 0 H SER A 59 5.803 -7.677 6.114 1.00 0.00 H new ATOM 0 HA SER A 59 3.866 -7.448 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.203 -9.290 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.493 -9.605 8.714 1.00 0.00 H new ATOM 0 HG SER A 59 5.348 -10.646 6.828 1.00 0.00 H new ATOM 343 N ARG A 60 6.983 -6.669 8.963 1.00 0.00 N ATOM 344 CA ARG A 60 7.819 -6.015 9.970 1.00 0.00 C ATOM 345 C ARG A 60 7.370 -4.572 10.213 1.00 0.00 C ATOM 346 O ARG A 60 7.259 -4.138 11.360 1.00 0.00 O ATOM 347 CB ARG A 60 9.293 -6.042 9.547 1.00 0.00 C ATOM 348 CG ARG A 60 10.264 -5.950 10.716 1.00 0.00 C ATOM 349 CD ARG A 60 10.860 -7.308 11.060 1.00 0.00 C ATOM 350 NE ARG A 60 12.322 -7.303 10.992 1.00 0.00 N ATOM 351 CZ ARG A 60 13.118 -6.812 11.949 1.00 0.00 C ATOM 352 NH1 ARG A 60 12.599 -6.272 13.052 1.00 0.00 N ATOM 353 NH2 ARG A 60 14.439 -6.861 11.801 1.00 0.00 N ATOM 0 H ARG A 60 7.476 -6.913 8.104 1.00 0.00 H new ATOM 0 HA ARG A 60 7.707 -6.569 10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.487 -6.962 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.481 -5.214 8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.065 -5.253 10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.748 -5.548 11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.546 -7.597 12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.469 -8.059 10.374 1.00 0.00 H new ATOM 0 HE ARG A 60 12.762 -7.699 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.587 -6.231 13.172 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.214 -5.900 13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.843 -7.272 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.048 -6.487 12.529 1.00 0.00 H new ATOM 367 N VAL A 61 7.113 -3.833 9.131 1.00 0.00 N ATOM 368 CA VAL A 61 6.674 -2.441 9.243 1.00 0.00 C ATOM 369 C VAL A 61 5.284 -2.347 9.882 1.00 0.00 C ATOM 370 O VAL A 61 5.038 -1.461 10.702 1.00 0.00 O ATOM 371 CB VAL A 61 6.687 -1.705 7.876 1.00 0.00 C ATOM 372 CG1 VAL A 61 5.760 -2.369 6.870 1.00 0.00 C ATOM 373 CG2 VAL A 61 6.324 -0.238 8.052 1.00 0.00 C ATOM 0 H VAL A 61 7.201 -4.173 8.173 1.00 0.00 H new ATOM 0 HA VAL A 61 7.393 -1.942 9.892 1.00 0.00 H new ATOM 0 HB VAL A 61 7.701 -1.768 7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.797 -1.825 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.077 -3.399 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.740 -2.360 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.339 0.259 7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.327 -0.159 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.046 0.238 8.715 1.00 0.00 H new ATOM 383 N ALA A 62 4.385 -3.265 9.510 1.00 0.00 N ATOM 384 CA ALA A 62 3.023 -3.285 10.058 1.00 0.00 C ATOM 385 C ALA A 62 3.023 -3.460 11.581 1.00 0.00 C ATOM 386 O ALA A 62 2.117 -2.978 12.262 1.00 0.00 O ATOM 387 CB ALA A 62 2.201 -4.392 9.410 1.00 0.00 C ATOM 0 H ALA A 62 4.575 -4.003 8.832 1.00 0.00 H new ATOM 0 HA ALA A 62 2.570 -2.320 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.195 -4.391 9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.146 -4.223 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.673 -5.356 9.602 1.00 0.00 H new ATOM 393 N LEU A 63 4.040 -4.152 12.108 1.00 0.00 N ATOM 394 CA LEU A 63 4.149 -4.386 13.550 1.00 0.00 C ATOM 395 C LEU A 63 4.264 -3.069 14.313 1.00 0.00 C ATOM 396 O LEU A 63 3.639 -2.890 15.358 1.00 0.00 O ATOM 397 CB LEU A 63 5.371 -5.257 13.865 1.00 0.00 C ATOM 398 CG LEU A 63 5.255 -6.727 13.452 1.00 0.00 C ATOM 399 CD1 LEU A 63 6.626 -7.301 13.123 1.00 0.00 C ATOM 400 CD2 LEU A 63 4.584 -7.538 14.552 1.00 0.00 C ATOM 0 H LEU A 63 4.797 -4.558 11.558 1.00 0.00 H new ATOM 0 HA LEU A 63 3.243 -4.902 13.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.241 -4.826 13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.561 -5.213 14.937 1.00 0.00 H new ATOM 0 HG LEU A 63 4.637 -6.785 12.556 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.522 -8.346 12.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.069 -6.738 12.302 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.270 -7.231 14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.510 -8.580 14.242 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.176 -7.472 15.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.585 -7.143 14.738 1.00 0.00 H new ATOM 412 N VAL A 64 5.076 -2.157 13.784 1.00 0.00 N ATOM 413 CA VAL A 64 5.288 -0.859 14.415 1.00 0.00 C ATOM 414 C VAL A 64 4.288 0.177 13.906 1.00 0.00 C ATOM 415 O VAL A 64 3.682 0.902 14.697 1.00 0.00 O ATOM 416 CB VAL A 64 6.724 -0.337 14.185 1.00 0.00 C ATOM 417 CG1 VAL A 64 7.195 0.457 15.391 1.00 0.00 C ATOM 418 CG2 VAL A 64 7.690 -1.481 13.890 1.00 0.00 C ATOM 0 H VAL A 64 5.598 -2.294 12.919 1.00 0.00 H new ATOM 0 HA VAL A 64 5.137 -1.007 15.484 1.00 0.00 H new ATOM 0 HB VAL A 64 6.708 0.319 13.314 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.208 0.819 15.215 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.529 1.305 15.551 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.186 -0.182 16.274 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.691 -1.080 13.733 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.704 -2.172 14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.366 -2.009 12.993 1.00 0.00 H new ATOM 428 N ARG A 65 4.115 0.239 12.586 1.00 0.00 N ATOM 429 CA ARG A 65 3.183 1.183 11.981 1.00 0.00 C ATOM 430 C ARG A 65 2.221 0.465 11.037 1.00 0.00 C ATOM 431 O ARG A 65 2.438 0.414 9.823 1.00 0.00 O ATOM 432 CB ARG A 65 3.931 2.305 11.242 1.00 0.00 C ATOM 433 CG ARG A 65 5.028 1.821 10.300 1.00 0.00 C ATOM 434 CD ARG A 65 6.322 1.519 11.046 1.00 0.00 C ATOM 435 NE ARG A 65 7.506 1.966 10.309 1.00 0.00 N ATOM 436 CZ ARG A 65 8.738 1.480 10.500 1.00 0.00 C ATOM 437 NH1 ARG A 65 8.953 0.506 11.381 1.00 0.00 N ATOM 438 NH2 ARG A 65 9.759 1.965 9.799 1.00 0.00 N ATOM 0 H ARG A 65 4.608 -0.353 11.918 1.00 0.00 H new ATOM 0 HA ARG A 65 2.602 1.638 12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.210 2.889 10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.372 2.976 11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.691 0.925 9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.215 2.579 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.299 2.006 12.021 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.393 0.446 11.227 1.00 0.00 H new ATOM 0 HE ARG A 65 7.384 2.694 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.175 0.123 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.896 0.142 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.602 2.707 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.699 1.595 9.944 1.00 0.00 H new ATOM 452 N ARG A 66 1.149 -0.085 11.609 1.00 0.00 N ATOM 453 CA ARG A 66 0.134 -0.797 10.832 1.00 0.00 C ATOM 454 C ARG A 66 -0.491 0.116 9.776 1.00 0.00 C ATOM 455 O ARG A 66 -0.887 -0.349 8.708 1.00 0.00 O ATOM 456 CB ARG A 66 -0.955 -1.373 11.750 1.00 0.00 C ATOM 457 CG ARG A 66 -1.700 -0.328 12.572 1.00 0.00 C ATOM 458 CD ARG A 66 -1.546 -0.577 14.066 1.00 0.00 C ATOM 459 NE ARG A 66 -1.515 0.671 14.832 1.00 0.00 N ATOM 460 CZ ARG A 66 -1.065 0.772 16.087 1.00 0.00 C ATOM 461 NH1 ARG A 66 -0.611 -0.301 16.733 1.00 0.00 N ATOM 462 NH2 ARG A 66 -1.072 1.952 16.699 1.00 0.00 N ATOM 0 H ARG A 66 0.961 -0.051 12.611 1.00 0.00 H new ATOM 0 HA ARG A 66 0.628 -1.623 10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.675 -1.920 11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.498 -2.094 12.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.323 0.665 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.757 -0.342 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.371 -1.197 14.417 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.628 -1.136 14.247 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.859 1.518 14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.605 -1.210 16.270 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.270 -0.214 17.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.420 2.777 16.211 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.729 2.032 17.656 1.00 0.00 H new ATOM 476 N ASP A 67 -0.576 1.416 10.084 1.00 0.00 N ATOM 477 CA ASP A 67 -1.154 2.397 9.164 1.00 0.00 C ATOM 478 C ASP A 67 -0.453 2.370 7.806 1.00 0.00 C ATOM 479 O ASP A 67 -1.107 2.370 6.763 1.00 0.00 O ATOM 480 CB ASP A 67 -1.070 3.806 9.762 1.00 0.00 C ATOM 481 CG ASP A 67 -2.327 4.621 9.516 1.00 0.00 C ATOM 482 OD1 ASP A 67 -2.712 4.784 8.340 1.00 0.00 O ATOM 483 OD2 ASP A 67 -2.925 5.100 10.503 1.00 0.00 O ATOM 0 H ASP A 67 -0.250 1.811 10.966 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.200 2.131 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.894 3.731 10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.214 4.328 9.334 1.00 0.00 H new ATOM 488 N ARG A 68 0.882 2.349 7.826 1.00 0.00 N ATOM 489 CA ARG A 68 1.666 2.326 6.592 1.00 0.00 C ATOM 490 C ARG A 68 1.357 1.079 5.765 1.00 0.00 C ATOM 491 O ARG A 68 1.086 1.174 4.568 1.00 0.00 O ATOM 492 CB ARG A 68 3.164 2.387 6.909 1.00 0.00 C ATOM 493 CG ARG A 68 3.844 3.649 6.400 1.00 0.00 C ATOM 494 CD ARG A 68 4.540 4.401 7.524 1.00 0.00 C ATOM 495 NE ARG A 68 5.994 4.432 7.350 1.00 0.00 N ATOM 496 CZ ARG A 68 6.851 4.820 8.298 1.00 0.00 C ATOM 497 NH1 ARG A 68 6.409 5.205 9.494 1.00 0.00 N ATOM 498 NH2 ARG A 68 8.158 4.820 8.051 1.00 0.00 N ATOM 0 H ARG A 68 1.439 2.347 8.680 1.00 0.00 H new ATOM 0 HA ARG A 68 1.391 3.202 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.301 2.321 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.655 1.518 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.571 3.387 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.104 4.298 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.159 5.421 7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.300 3.930 8.477 1.00 0.00 H new ATOM 0 HE ARG A 68 6.375 4.140 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.408 5.205 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.071 5.500 10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.505 4.524 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.814 5.116 8.774 1.00 0.00 H new ATOM 512 N ALA A 69 1.386 -0.085 6.415 1.00 0.00 N ATOM 513 CA ALA A 69 1.099 -1.351 5.741 1.00 0.00 C ATOM 514 C ALA A 69 -0.358 -1.417 5.281 1.00 0.00 C ATOM 515 O ALA A 69 -0.660 -1.995 4.237 1.00 0.00 O ATOM 516 CB ALA A 69 1.414 -2.524 6.658 1.00 0.00 C ATOM 0 H ALA A 69 1.605 -0.177 7.407 1.00 0.00 H new ATOM 0 HA ALA A 69 1.735 -1.411 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.195 -3.459 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.469 -2.499 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.804 -2.456 7.559 1.00 0.00 H new ATOM 522 N GLN A 70 -1.251 -0.814 6.070 1.00 0.00 N ATOM 523 CA GLN A 70 -2.679 -0.795 5.757 1.00 0.00 C ATOM 524 C GLN A 70 -2.937 -0.102 4.422 1.00 0.00 C ATOM 525 O GLN A 70 -3.757 -0.557 3.627 1.00 0.00 O ATOM 526 CB GLN A 70 -3.461 -0.086 6.865 1.00 0.00 C ATOM 527 CG GLN A 70 -4.772 -0.769 7.214 1.00 0.00 C ATOM 528 CD GLN A 70 -5.839 0.211 7.664 1.00 0.00 C ATOM 529 OE1 GLN A 70 -6.279 0.180 8.812 1.00 0.00 O ATOM 530 NE2 GLN A 70 -6.260 1.089 6.760 1.00 0.00 N ATOM 0 H GLN A 70 -1.007 -0.331 6.934 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.018 -1.828 5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.840 -0.031 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.666 0.939 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.133 -1.320 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.598 -1.499 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.868 1.079 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.975 1.773 7.008 1.00 0.00 H new ATOM 539 N ALA A 71 -2.230 1.001 4.185 1.00 0.00 N ATOM 540 CA ALA A 71 -2.380 1.753 2.945 1.00 0.00 C ATOM 541 C ALA A 71 -1.791 0.991 1.759 1.00 0.00 C ATOM 542 O ALA A 71 -2.318 1.069 0.651 1.00 0.00 O ATOM 543 CB ALA A 71 -1.736 3.124 3.073 1.00 0.00 C ATOM 0 H ALA A 71 -1.549 1.392 4.836 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.446 1.885 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.857 3.672 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.214 3.676 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.674 3.008 3.291 1.00 0.00 H new ATOM 549 N VAL A 72 -0.702 0.251 1.993 1.00 0.00 N ATOM 550 CA VAL A 72 -0.060 -0.524 0.927 1.00 0.00 C ATOM 551 C VAL A 72 -0.979 -1.642 0.434 1.00 0.00 C ATOM 552 O VAL A 72 -1.172 -1.808 -0.773 1.00 0.00 O ATOM 553 CB VAL A 72 1.280 -1.148 1.382 1.00 0.00 C ATOM 554 CG1 VAL A 72 1.984 -1.816 0.207 1.00 0.00 C ATOM 555 CG2 VAL A 72 2.181 -0.100 2.021 1.00 0.00 C ATOM 0 H VAL A 72 -0.250 0.173 2.904 1.00 0.00 H new ATOM 0 HA VAL A 72 0.140 0.178 0.117 1.00 0.00 H new ATOM 0 HB VAL A 72 1.062 -1.908 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.925 -2.250 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.348 -2.602 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.184 -1.075 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.116 -0.565 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.391 0.689 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.682 0.328 2.891 1.00 0.00 H new ATOM 565 N GLU A 73 -1.541 -2.406 1.374 1.00 0.00 N ATOM 566 CA GLU A 73 -2.442 -3.510 1.035 1.00 0.00 C ATOM 567 C GLU A 73 -3.751 -2.989 0.440 1.00 0.00 C ATOM 568 O GLU A 73 -4.293 -3.580 -0.496 1.00 0.00 O ATOM 569 CB GLU A 73 -2.733 -4.377 2.269 1.00 0.00 C ATOM 570 CG GLU A 73 -3.334 -3.611 3.443 1.00 0.00 C ATOM 571 CD GLU A 73 -2.978 -4.207 4.795 1.00 0.00 C ATOM 572 OE1 GLU A 73 -1.815 -4.626 4.981 1.00 0.00 O ATOM 573 OE2 GLU A 73 -3.864 -4.243 5.675 1.00 0.00 O ATOM 0 H GLU A 73 -1.388 -2.280 2.375 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.943 -4.125 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.416 -5.177 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.806 -4.849 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.990 -2.577 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.419 -3.590 3.337 1.00 0.00 H new ATOM 580 N THR A 74 -4.250 -1.879 0.986 1.00 0.00 N ATOM 581 CA THR A 74 -5.494 -1.278 0.509 1.00 0.00 C ATOM 582 C THR A 74 -5.295 -0.597 -0.851 1.00 0.00 C ATOM 583 O THR A 74 -6.199 -0.600 -1.689 1.00 0.00 O ATOM 584 CB THR A 74 -6.032 -0.279 1.539 1.00 0.00 C ATOM 585 OG1 THR A 74 -6.305 -0.929 2.768 1.00 0.00 O ATOM 586 CG2 THR A 74 -7.306 0.415 1.101 1.00 0.00 C ATOM 0 H THR A 74 -3.811 -1.379 1.759 1.00 0.00 H new ATOM 0 HA THR A 74 -6.227 -2.074 0.379 1.00 0.00 H new ATOM 0 HB THR A 74 -5.248 0.471 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.499 -0.927 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.629 1.107 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.122 0.966 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.085 -0.328 0.930 1.00 0.00 H new ATOM 594 N TYR A 75 -4.109 -0.024 -1.068 1.00 0.00 N ATOM 595 CA TYR A 75 -3.791 0.644 -2.326 1.00 0.00 C ATOM 596 C TYR A 75 -3.732 -0.365 -3.476 1.00 0.00 C ATOM 597 O TYR A 75 -4.300 -0.136 -4.545 1.00 0.00 O ATOM 598 CB TYR A 75 -2.457 1.395 -2.193 1.00 0.00 C ATOM 599 CG TYR A 75 -1.765 1.683 -3.506 1.00 0.00 C ATOM 600 CD1 TYR A 75 -0.955 0.729 -4.108 1.00 0.00 C ATOM 601 CD2 TYR A 75 -1.919 2.908 -4.140 1.00 0.00 C ATOM 602 CE1 TYR A 75 -0.318 0.988 -5.302 1.00 0.00 C ATOM 603 CE2 TYR A 75 -1.285 3.175 -5.336 1.00 0.00 C ATOM 604 CZ TYR A 75 -0.485 2.212 -5.914 1.00 0.00 C ATOM 605 OH TYR A 75 0.147 2.474 -7.106 1.00 0.00 O ATOM 0 H TYR A 75 -3.352 -0.011 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 75 -4.579 1.362 -2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.636 2.338 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.786 0.809 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.822 -0.232 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.545 3.664 -3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.309 0.235 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.415 4.133 -5.817 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.077 3.381 -7.403 1.00 0.00 H new ATOM 615 N LEU A 76 -3.032 -1.478 -3.245 1.00 0.00 N ATOM 616 CA LEU A 76 -2.882 -2.525 -4.256 1.00 0.00 C ATOM 617 C LEU A 76 -4.225 -3.162 -4.607 1.00 0.00 C ATOM 618 O LEU A 76 -4.542 -3.340 -5.785 1.00 0.00 O ATOM 619 CB LEU A 76 -1.908 -3.598 -3.760 1.00 0.00 C ATOM 620 CG LEU A 76 -1.316 -4.494 -4.850 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.476 -3.676 -5.823 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.487 -5.607 -4.225 1.00 0.00 C ATOM 0 H LEU A 76 -2.559 -1.677 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.484 -2.062 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.091 -3.108 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.424 -4.227 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.135 -4.946 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.065 -4.333 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.100 -2.916 -6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.339 -3.193 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.072 -6.237 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.325 -5.172 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.120 -6.210 -3.573 1.00 0.00 H new ATOM 634 N LYS A 77 -5.015 -3.496 -3.585 1.00 0.00 N ATOM 635 CA LYS A 77 -6.328 -4.107 -3.799 1.00 0.00 C ATOM 636 C LYS A 77 -7.251 -3.172 -4.585 1.00 0.00 C ATOM 637 O LYS A 77 -8.075 -3.632 -5.376 1.00 0.00 O ATOM 638 CB LYS A 77 -6.976 -4.496 -2.466 1.00 0.00 C ATOM 639 CG LYS A 77 -7.262 -3.317 -1.549 1.00 0.00 C ATOM 640 CD LYS A 77 -8.026 -3.743 -0.306 1.00 0.00 C ATOM 641 CE LYS A 77 -9.074 -2.712 0.086 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.288 -3.342 0.678 1.00 0.00 N ATOM 0 H LYS A 77 -4.770 -3.355 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.177 -5.012 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.910 -5.021 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.322 -5.196 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.323 -2.848 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.838 -2.566 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.509 -4.704 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.329 -3.886 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.643 -2.013 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.359 -2.133 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.975 -2.603 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.715 -3.990 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.022 -3.873 1.532 1.00 0.00 H new ATOM 656 N LYS A 78 -7.108 -1.861 -4.363 1.00 0.00 N ATOM 657 CA LYS A 78 -7.932 -0.871 -5.056 1.00 0.00 C ATOM 658 C LYS A 78 -7.672 -0.901 -6.562 1.00 0.00 C ATOM 659 O LYS A 78 -8.612 -0.924 -7.355 1.00 0.00 O ATOM 660 CB LYS A 78 -7.649 0.535 -4.514 1.00 0.00 C ATOM 661 CG LYS A 78 -8.865 1.215 -3.903 1.00 0.00 C ATOM 662 CD LYS A 78 -8.587 2.679 -3.594 1.00 0.00 C ATOM 663 CE LYS A 78 -8.219 2.883 -2.131 1.00 0.00 C ATOM 664 NZ LYS A 78 -7.227 3.982 -1.951 1.00 0.00 N ATOM 0 H LYS A 78 -6.431 -1.464 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.977 -1.122 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.863 0.472 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.266 1.156 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.708 1.140 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.152 0.697 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.775 3.037 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.467 3.276 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.119 3.110 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.810 1.956 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.005 4.087 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.358 3.754 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.626 4.872 -2.312 1.00 0.00 H new ATOM 678 N LEU A 79 -6.394 -0.914 -6.949 1.00 0.00 N ATOM 679 CA LEU A 79 -6.018 -0.952 -8.366 1.00 0.00 C ATOM 680 C LEU A 79 -6.554 -2.213 -9.036 1.00 0.00 C ATOM 681 O LEU A 79 -7.143 -2.146 -10.116 1.00 0.00 O ATOM 682 CB LEU A 79 -4.493 -0.891 -8.517 1.00 0.00 C ATOM 683 CG LEU A 79 -3.914 0.505 -8.765 1.00 0.00 C ATOM 684 CD1 LEU A 79 -3.517 1.161 -7.450 1.00 0.00 C ATOM 685 CD2 LEU A 79 -2.720 0.429 -9.708 1.00 0.00 C ATOM 0 H LEU A 79 -5.604 -0.899 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.459 -0.083 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.039 -1.299 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.200 -1.539 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.684 1.118 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.108 2.152 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.394 1.251 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.764 0.550 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.322 1.430 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.947 -0.201 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.035 0.003 -10.660 1.00 0.00 H new ATOM 697 N ILE A 80 -6.357 -3.359 -8.381 1.00 0.00 N ATOM 698 CA ILE A 80 -6.829 -4.637 -8.908 1.00 0.00 C ATOM 699 C ILE A 80 -8.357 -4.651 -9.017 1.00 0.00 C ATOM 700 O ILE A 80 -8.913 -5.236 -9.948 1.00 0.00 O ATOM 701 CB ILE A 80 -6.368 -5.830 -8.032 1.00 0.00 C ATOM 702 CG1 ILE A 80 -4.851 -5.782 -7.802 1.00 0.00 C ATOM 703 CG2 ILE A 80 -6.762 -7.152 -8.682 1.00 0.00 C ATOM 704 CD1 ILE A 80 -4.380 -6.664 -6.664 1.00 0.00 C ATOM 0 H ILE A 80 -5.874 -3.426 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.391 -4.749 -9.900 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.865 -5.754 -7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.344 -6.084 -8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.556 -4.753 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.431 -7.979 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.845 -7.193 -8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.292 -7.230 -9.662 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.298 -6.578 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.859 -6.349 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.644 -7.701 -6.874 1.00 0.00 H new ATOM 716 N ALA A 81 -9.028 -4.003 -8.059 1.00 0.00 N ATOM 717 CA ALA A 81 -10.489 -3.941 -8.047 1.00 0.00 C ATOM 718 C ALA A 81 -11.035 -3.069 -9.178 1.00 0.00 C ATOM 719 O ALA A 81 -12.084 -3.376 -9.747 1.00 0.00 O ATOM 720 CB ALA A 81 -10.989 -3.427 -6.704 1.00 0.00 C ATOM 0 H ALA A 81 -8.581 -3.515 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.856 -4.955 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.078 -3.387 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.656 -4.097 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.591 -2.428 -6.526 1.00 0.00 H new ATOM 726 N THR A 82 -10.334 -1.979 -9.497 1.00 0.00 N ATOM 727 CA THR A 82 -10.778 -1.074 -10.557 1.00 0.00 C ATOM 728 C THR A 82 -10.511 -1.668 -11.940 1.00 0.00 C ATOM 729 O THR A 82 -11.448 -1.953 -12.687 1.00 0.00 O ATOM 730 CB THR A 82 -10.100 0.304 -10.432 1.00 0.00 C ATOM 731 OG1 THR A 82 -9.880 0.652 -9.076 1.00 0.00 O ATOM 732 CG2 THR A 82 -10.901 1.426 -11.057 1.00 0.00 C ATOM 0 H THR A 82 -9.464 -1.704 -9.041 1.00 0.00 H new ATOM 0 HA THR A 82 -11.854 -0.942 -10.441 1.00 0.00 H new ATOM 0 HB THR A 82 -9.157 0.197 -10.968 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.148 0.110 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.366 2.368 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.041 1.225 -12.119 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.873 1.494 -10.569 1.00 0.00 H new ATOM 740 N ASN A 83 -9.232 -1.844 -12.282 1.00 0.00 N ATOM 741 CA ASN A 83 -8.853 -2.392 -13.584 1.00 0.00 C ATOM 742 C ASN A 83 -7.340 -2.612 -13.699 1.00 0.00 C ATOM 743 O ASN A 83 -6.899 -3.577 -14.326 1.00 0.00 O ATOM 744 CB ASN A 83 -9.324 -1.460 -14.708 1.00 0.00 C ATOM 745 CG ASN A 83 -8.587 -0.131 -14.726 1.00 0.00 C ATOM 746 OD1 ASN A 83 -7.752 0.115 -15.593 1.00 0.00 O ATOM 747 ND2 ASN A 83 -8.896 0.737 -13.766 1.00 0.00 N ATOM 0 H ASN A 83 -8.444 -1.615 -11.676 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.340 -3.363 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.186 -1.959 -15.667 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.392 -1.275 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.433 1.645 -13.732 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.595 0.494 -13.064 1.00 0.00 H new ATOM 754 N ASN A 84 -6.551 -1.708 -13.105 1.00 0.00 N ATOM 755 CA ASN A 84 -5.093 -1.804 -13.156 1.00 0.00 C ATOM 756 C ASN A 84 -4.595 -3.012 -12.372 1.00 0.00 C ATOM 757 O ASN A 84 -4.423 -2.953 -11.153 1.00 0.00 O ATOM 758 CB ASN A 84 -4.448 -0.531 -12.610 1.00 0.00 C ATOM 759 CG ASN A 84 -4.293 0.541 -13.672 1.00 0.00 C ATOM 760 OD1 ASN A 84 -3.185 0.820 -14.130 1.00 0.00 O ATOM 761 ND2 ASN A 84 -5.404 1.149 -14.072 1.00 0.00 N ATOM 0 H ASN A 84 -6.901 -0.903 -12.585 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.807 -1.926 -14.201 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.054 -0.142 -11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.469 -0.772 -12.196 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.359 1.877 -14.785 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.303 0.888 -13.667 1.00 0.00 H new ATOM 768 N VAL A 85 -4.365 -4.102 -13.089 1.00 0.00 N ATOM 769 CA VAL A 85 -3.883 -5.337 -12.483 1.00 0.00 C ATOM 770 C VAL A 85 -2.493 -5.711 -13.017 1.00 0.00 C ATOM 771 O VAL A 85 -2.124 -6.888 -13.049 1.00 0.00 O ATOM 772 CB VAL A 85 -4.868 -6.503 -12.730 1.00 0.00 C ATOM 773 CG1 VAL A 85 -4.565 -7.668 -11.800 1.00 0.00 C ATOM 774 CG2 VAL A 85 -6.310 -6.041 -12.554 1.00 0.00 C ATOM 0 H VAL A 85 -4.505 -4.157 -14.098 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.811 -5.162 -11.410 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.741 -6.841 -13.758 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.269 -8.478 -11.990 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.549 -8.021 -11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.659 -7.341 -10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.985 -6.878 -12.733 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.452 -5.671 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.526 -5.243 -13.265 1.00 0.00 H new ATOM 784 N THR A 86 -1.718 -4.701 -13.421 1.00 0.00 N ATOM 785 CA THR A 86 -0.368 -4.923 -13.936 1.00 0.00 C ATOM 786 C THR A 86 0.649 -4.052 -13.185 1.00 0.00 C ATOM 787 O THR A 86 1.680 -3.661 -13.741 1.00 0.00 O ATOM 788 CB THR A 86 -0.322 -4.647 -15.449 1.00 0.00 C ATOM 789 OG1 THR A 86 0.961 -4.946 -15.981 1.00 0.00 O ATOM 790 CG2 THR A 86 -0.655 -3.216 -15.824 1.00 0.00 C ATOM 0 H THR A 86 -2.004 -3.722 -13.401 1.00 0.00 H new ATOM 0 HA THR A 86 -0.100 -5.967 -13.771 1.00 0.00 H new ATOM 0 HB THR A 86 -1.088 -5.296 -15.873 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.653 -4.598 -15.381 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.601 -3.102 -16.907 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.662 -2.976 -15.483 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.059 -2.541 -15.352 1.00 0.00 H new ATOM 798 N HIS A 87 0.356 -3.756 -11.916 1.00 0.00 N ATOM 799 CA HIS A 87 1.244 -2.936 -11.094 1.00 0.00 C ATOM 800 C HIS A 87 2.319 -3.790 -10.420 1.00 0.00 C ATOM 801 O HIS A 87 3.497 -3.691 -10.765 1.00 0.00 O ATOM 802 CB HIS A 87 0.442 -2.159 -10.044 1.00 0.00 C ATOM 803 CG HIS A 87 1.066 -0.853 -9.657 1.00 0.00 C ATOM 804 ND1 HIS A 87 0.606 0.363 -10.116 1.00 0.00 N ATOM 805 CD2 HIS A 87 2.114 -0.575 -8.844 1.00 0.00 C ATOM 806 CE1 HIS A 87 1.342 1.332 -9.603 1.00 0.00 C ATOM 807 NE2 HIS A 87 2.263 0.790 -8.828 1.00 0.00 N ATOM 0 H HIS A 87 -0.488 -4.072 -11.438 1.00 0.00 H new ATOM 0 HA HIS A 87 1.742 -2.223 -11.750 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.560 -1.973 -10.429 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.331 -2.777 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.719 -1.292 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.212 2.388 -9.786 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.971 1.302 -8.302 1.00 0.00 H new ATOM 816 N LYS A 88 1.900 -4.626 -9.464 1.00 0.00 N ATOM 817 CA LYS A 88 2.813 -5.510 -8.727 1.00 0.00 C ATOM 818 C LYS A 88 3.803 -4.704 -7.878 1.00 0.00 C ATOM 819 O LYS A 88 4.654 -3.988 -8.410 1.00 0.00 O ATOM 820 CB LYS A 88 3.567 -6.433 -9.693 1.00 0.00 C ATOM 821 CG LYS A 88 2.812 -7.710 -10.026 1.00 0.00 C ATOM 822 CD LYS A 88 3.752 -8.804 -10.504 1.00 0.00 C ATOM 823 CE LYS A 88 4.164 -8.590 -11.953 1.00 0.00 C ATOM 824 NZ LYS A 88 3.347 -9.404 -12.899 1.00 0.00 N ATOM 0 H LYS A 88 0.924 -4.710 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 88 2.212 -6.122 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.772 -5.890 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.531 -6.694 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.270 -8.054 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.069 -7.504 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.639 -8.825 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.265 -9.774 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.064 -7.534 -12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.217 -8.847 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.664 -9.225 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.462 -10.414 -12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.345 -9.141 -12.807 1.00 0.00 H new ATOM 838 N ILE A 89 3.683 -4.824 -6.552 1.00 0.00 N ATOM 839 CA ILE A 89 4.566 -4.099 -5.633 1.00 0.00 C ATOM 840 C ILE A 89 5.881 -4.845 -5.412 1.00 0.00 C ATOM 841 O ILE A 89 5.891 -6.034 -5.087 1.00 0.00 O ATOM 842 CB ILE A 89 3.899 -3.844 -4.260 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.489 -3.270 -4.439 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.756 -2.899 -3.422 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.756 -3.037 -3.133 1.00 0.00 C ATOM 0 H ILE A 89 2.988 -5.412 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 89 4.769 -3.139 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 89 3.816 -4.797 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.556 -2.327 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.904 -3.952 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.275 -2.729 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.738 -3.343 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.868 -1.949 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.766 -2.630 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.656 -3.982 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.318 -2.331 -2.521 1.00 0.00 H new ATOM 857 N THR A 90 6.986 -4.122 -5.586 1.00 0.00 N ATOM 858 CA THR A 90 8.325 -4.681 -5.407 1.00 0.00 C ATOM 859 C THR A 90 9.002 -4.064 -4.185 1.00 0.00 C ATOM 860 O THR A 90 8.460 -3.145 -3.569 1.00 0.00 O ATOM 861 CB THR A 90 9.169 -4.428 -6.662 1.00 0.00 C ATOM 862 OG1 THR A 90 9.480 -3.050 -6.790 1.00 0.00 O ATOM 863 CG2 THR A 90 8.485 -4.861 -7.943 1.00 0.00 C ATOM 0 H THR A 90 6.979 -3.138 -5.854 1.00 0.00 H new ATOM 0 HA THR A 90 8.237 -5.756 -5.248 1.00 0.00 H new ATOM 0 HB THR A 90 10.069 -5.027 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.020 -2.910 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.137 -4.654 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.274 -5.930 -7.900 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.551 -4.312 -8.060 1.00 0.00 H new ATOM 871 N GLU A 91 10.191 -4.563 -3.842 1.00 0.00 N ATOM 872 CA GLU A 91 10.936 -4.040 -2.695 1.00 0.00 C ATOM 873 C GLU A 91 11.172 -2.535 -2.845 1.00 0.00 C ATOM 874 O GLU A 91 11.021 -1.776 -1.888 1.00 0.00 O ATOM 875 CB GLU A 91 12.277 -4.769 -2.542 1.00 0.00 C ATOM 876 CG GLU A 91 12.997 -4.460 -1.237 1.00 0.00 C ATOM 877 CD GLU A 91 12.946 -5.613 -0.253 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.794 -6.523 -0.362 1.00 0.00 O ATOM 879 OE2 GLU A 91 12.055 -5.606 0.625 1.00 0.00 O ATOM 0 H GLU A 91 10.656 -5.323 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 91 10.340 -4.213 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.106 -5.844 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.924 -4.499 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.038 -4.215 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.549 -3.578 -0.780 1.00 0.00 H new ATOM 886 N ALA A 92 11.530 -2.112 -4.058 1.00 0.00 N ATOM 887 CA ALA A 92 11.774 -0.698 -4.340 1.00 0.00 C ATOM 888 C ALA A 92 10.474 0.108 -4.308 1.00 0.00 C ATOM 889 O ALA A 92 10.451 1.244 -3.831 1.00 0.00 O ATOM 890 CB ALA A 92 12.463 -0.536 -5.689 1.00 0.00 C ATOM 0 H ALA A 92 11.657 -2.729 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 92 12.429 -0.310 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.637 0.522 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.416 -1.065 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.829 -0.950 -6.473 1.00 0.00 H new ATOM 896 N GLU A 93 9.396 -0.485 -4.825 1.00 0.00 N ATOM 897 CA GLU A 93 8.095 0.179 -4.864 1.00 0.00 C ATOM 898 C GLU A 93 7.476 0.293 -3.471 1.00 0.00 C ATOM 899 O GLU A 93 6.915 1.332 -3.124 1.00 0.00 O ATOM 900 CB GLU A 93 7.140 -0.571 -5.801 1.00 0.00 C ATOM 901 CG GLU A 93 6.422 0.336 -6.791 1.00 0.00 C ATOM 902 CD GLU A 93 7.289 0.730 -7.976 1.00 0.00 C ATOM 903 OE1 GLU A 93 8.514 0.912 -7.793 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.741 0.857 -9.091 1.00 0.00 O ATOM 0 H GLU A 93 9.400 -1.424 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 93 8.254 1.188 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.702 -1.324 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.399 -1.101 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.528 -0.169 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.091 1.237 -6.275 1.00 0.00 H new ATOM 911 N ILE A 94 7.577 -0.774 -2.676 1.00 0.00 N ATOM 912 CA ILE A 94 7.012 -0.775 -1.328 1.00 0.00 C ATOM 913 C ILE A 94 7.673 0.284 -0.442 1.00 0.00 C ATOM 914 O ILE A 94 7.002 0.911 0.378 1.00 0.00 O ATOM 915 CB ILE A 94 7.121 -2.169 -0.660 1.00 0.00 C ATOM 916 CG1 ILE A 94 6.369 -2.181 0.673 1.00 0.00 C ATOM 917 CG2 ILE A 94 8.574 -2.577 -0.459 1.00 0.00 C ATOM 918 CD1 ILE A 94 5.093 -2.991 0.639 1.00 0.00 C ATOM 0 H ILE A 94 8.042 -1.642 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 94 5.955 -0.529 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 94 6.662 -2.898 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.024 -2.582 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.131 -1.156 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.614 -3.559 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.078 -2.616 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.072 -1.848 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.613 -2.955 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.419 -2.577 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.325 -4.026 0.387 1.00 0.00 H new ATOM 930 N VAL A 95 8.980 0.499 -0.622 1.00 0.00 N ATOM 931 CA VAL A 95 9.697 1.506 0.161 1.00 0.00 C ATOM 932 C VAL A 95 9.178 2.906 -0.171 1.00 0.00 C ATOM 933 O VAL A 95 8.941 3.717 0.726 1.00 0.00 O ATOM 934 CB VAL A 95 11.224 1.458 -0.083 1.00 0.00 C ATOM 935 CG1 VAL A 95 11.941 2.488 0.781 1.00 0.00 C ATOM 936 CG2 VAL A 95 11.770 0.063 0.189 1.00 0.00 C ATOM 0 H VAL A 95 9.556 -0.005 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 95 9.515 1.280 1.212 1.00 0.00 H new ATOM 0 HB VAL A 95 11.407 1.700 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 95 13.014 2.437 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.577 3.486 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.746 2.279 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.845 0.052 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.571 -0.210 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.285 -0.653 -0.474 1.00 0.00 H new ATOM 946 N SER A 96 8.995 3.179 -1.466 1.00 0.00 N ATOM 947 CA SER A 96 8.495 4.476 -1.918 1.00 0.00 C ATOM 948 C SER A 96 7.052 4.701 -1.464 1.00 0.00 C ATOM 949 O SER A 96 6.717 5.778 -0.965 1.00 0.00 O ATOM 950 CB SER A 96 8.593 4.589 -3.444 1.00 0.00 C ATOM 951 OG SER A 96 9.158 5.830 -3.827 1.00 0.00 O ATOM 0 H SER A 96 9.186 2.517 -2.218 1.00 0.00 H new ATOM 0 HA SER A 96 9.118 5.248 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.201 3.773 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.601 4.486 -3.884 1.00 0.00 H new ATOM 0 HG SER A 96 9.212 5.877 -4.804 1.00 0.00 H new ATOM 957 N ILE A 97 6.201 3.683 -1.631 1.00 0.00 N ATOM 958 CA ILE A 97 4.798 3.789 -1.227 1.00 0.00 C ATOM 959 C ILE A 97 4.683 3.971 0.287 1.00 0.00 C ATOM 960 O ILE A 97 3.969 4.856 0.755 1.00 0.00 O ATOM 961 CB ILE A 97 3.962 2.557 -1.661 1.00 0.00 C ATOM 962 CG1 ILE A 97 4.102 2.306 -3.167 1.00 0.00 C ATOM 963 CG2 ILE A 97 2.494 2.756 -1.296 1.00 0.00 C ATOM 964 CD1 ILE A 97 4.042 0.841 -3.545 1.00 0.00 C ATOM 0 H ILE A 97 6.458 2.784 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 97 4.395 4.665 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 97 4.342 1.684 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.310 2.841 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.049 2.723 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.920 1.883 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.402 2.886 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.110 3.642 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.148 0.739 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.851 0.304 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.084 0.424 -3.233 1.00 0.00 H new ATOM 976 N LEU A 98 5.397 3.136 1.046 1.00 0.00 N ATOM 977 CA LEU A 98 5.375 3.219 2.507 1.00 0.00 C ATOM 978 C LEU A 98 5.881 4.581 2.987 1.00 0.00 C ATOM 979 O LEU A 98 5.322 5.164 3.917 1.00 0.00 O ATOM 980 CB LEU A 98 6.226 2.104 3.126 1.00 0.00 C ATOM 981 CG LEU A 98 5.573 0.719 3.154 1.00 0.00 C ATOM 982 CD1 LEU A 98 6.615 -0.355 3.430 1.00 0.00 C ATOM 983 CD2 LEU A 98 4.467 0.670 4.199 1.00 0.00 C ATOM 0 H LEU A 98 5.995 2.398 0.674 1.00 0.00 H new ATOM 0 HA LEU A 98 4.341 3.097 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.162 2.035 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.480 2.388 4.147 1.00 0.00 H new ATOM 0 HG LEU A 98 5.130 0.528 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.134 -1.333 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.373 -0.337 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.086 -0.166 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.015 -0.322 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.886 0.883 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.707 1.414 3.960 1.00 0.00 H new ATOM 995 N ASN A 99 6.938 5.084 2.342 1.00 0.00 N ATOM 996 CA ASN A 99 7.516 6.381 2.700 1.00 0.00 C ATOM 997 C ASN A 99 6.537 7.517 2.407 1.00 0.00 C ATOM 998 O ASN A 99 6.458 8.488 3.163 1.00 0.00 O ATOM 999 CB ASN A 99 8.826 6.614 1.943 1.00 0.00 C ATOM 1000 CG ASN A 99 10.042 6.184 2.743 1.00 0.00 C ATOM 1001 OD1 ASN A 99 10.141 6.459 3.939 1.00 0.00 O ATOM 1002 ND2 ASN A 99 10.979 5.506 2.088 1.00 0.00 N ATOM 0 H ASN A 99 7.410 4.613 1.570 1.00 0.00 H new ATOM 0 HA ASN A 99 7.723 6.370 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.801 6.065 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 99 8.915 7.671 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.818 5.193 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.859 5.298 1.097 1.00 0.00 H new ATOM 1009 N GLY A 100 5.776 7.379 1.319 1.00 0.00 N ATOM 1010 CA GLY A 100 4.798 8.390 0.961 1.00 0.00 C ATOM 1011 C GLY A 100 3.592 8.330 1.871 1.00 0.00 C ATOM 1012 O GLY A 100 3.061 9.363 2.282 1.00 0.00 O ATOM 0 H GLY A 100 5.822 6.584 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.254 9.378 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.484 8.246 -0.073 1.00 0.00 H new ATOM 1016 N ILE A 101 3.179 7.106 2.199 1.00 0.00 N ATOM 1017 CA ILE A 101 2.044 6.875 3.083 1.00 0.00 C ATOM 1018 C ILE A 101 2.269 7.542 4.445 1.00 0.00 C ATOM 1019 O ILE A 101 1.347 8.121 5.019 1.00 0.00 O ATOM 1020 CB ILE A 101 1.800 5.360 3.275 1.00 0.00 C ATOM 1021 CG1 ILE A 101 1.158 4.762 2.019 1.00 0.00 C ATOM 1022 CG2 ILE A 101 0.930 5.102 4.493 1.00 0.00 C ATOM 1023 CD1 ILE A 101 1.183 3.248 1.982 1.00 0.00 C ATOM 0 H ILE A 101 3.622 6.252 1.860 1.00 0.00 H new ATOM 0 HA ILE A 101 1.163 7.318 2.618 1.00 0.00 H new ATOM 0 HB ILE A 101 2.763 4.876 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.124 5.101 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.675 5.146 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.773 4.029 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.424 5.493 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.032 5.598 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.711 2.899 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.216 2.900 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.640 2.854 2.841 1.00 0.00 H new ATOM 1035 N ALA A 102 3.503 7.464 4.949 1.00 0.00 N ATOM 1036 CA ALA A 102 3.846 8.071 6.233 1.00 0.00 C ATOM 1037 C ALA A 102 3.838 9.595 6.136 1.00 0.00 C ATOM 1038 O ALA A 102 3.306 10.276 7.014 1.00 0.00 O ATOM 1039 CB ALA A 102 5.206 7.579 6.714 1.00 0.00 C ATOM 0 H ALA A 102 4.278 6.987 4.488 1.00 0.00 H new ATOM 0 HA ALA A 102 3.091 7.770 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.443 8.043 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.180 6.496 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.969 7.846 5.983 1.00 0.00 H new ATOM 1045 N LYS A 103 4.428 10.125 5.060 1.00 0.00 N ATOM 1046 CA LYS A 103 4.485 11.572 4.846 1.00 0.00 C ATOM 1047 C LYS A 103 3.081 12.171 4.730 1.00 0.00 C ATOM 1048 O LYS A 103 2.815 13.247 5.265 1.00 0.00 O ATOM 1049 CB LYS A 103 5.303 11.902 3.590 1.00 0.00 C ATOM 1050 CG LYS A 103 6.570 12.694 3.882 1.00 0.00 C ATOM 1051 CD LYS A 103 7.522 12.695 2.694 1.00 0.00 C ATOM 1052 CE LYS A 103 7.021 13.593 1.569 1.00 0.00 C ATOM 1053 NZ LYS A 103 7.138 15.042 1.909 1.00 0.00 N ATOM 0 H LYS A 103 4.872 9.574 4.326 1.00 0.00 H new ATOM 0 HA LYS A 103 4.975 12.015 5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.572 10.973 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.680 12.470 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.306 13.720 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.073 12.268 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.507 13.032 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.640 11.677 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.589 13.387 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.979 13.355 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.948 15.614 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.449 15.281 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.099 15.241 2.253 1.00 0.00 H new ATOM 1067 N GLN A 104 2.187 11.466 4.030 1.00 0.00 N ATOM 1068 CA GLN A 104 0.808 11.929 3.849 1.00 0.00 C ATOM 1069 C GLN A 104 -0.004 11.793 5.142 1.00 0.00 C ATOM 1070 O GLN A 104 -0.916 12.584 5.390 1.00 0.00 O ATOM 1071 CB GLN A 104 0.125 11.153 2.715 1.00 0.00 C ATOM 1072 CG GLN A 104 -0.044 9.665 2.994 1.00 0.00 C ATOM 1073 CD GLN A 104 -0.831 8.950 1.913 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -0.589 9.144 0.723 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -1.778 8.111 2.322 1.00 0.00 N ATOM 0 H GLN A 104 2.393 10.574 3.580 1.00 0.00 H new ATOM 0 HA GLN A 104 0.848 12.986 3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.856 11.591 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.708 11.277 1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.939 9.203 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.549 9.535 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.946 7.979 3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.336 7.599 1.638 1.00 0.00 H new