USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 537 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 36 SER OG : rot 34:sc= 1.1 USER MOD Set 1.2: A 39 GLN : amide:sc= 0.928 K(o=2,f=-3.6!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.58) USER MOD Single : A 20 ASN : amide:sc= -2.64 K(o=-2.6,f=-17!) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.6 F(o=0,f=0.6) USER MOD Single : A 28 SER OG : rot 13:sc= 0.999 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -70:sc= 0.245 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.5) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.443 F(o=-1.4,f=-0.44) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 143:sc= -0.207 (180deg=-1.17) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -0.254 F(o=-1.4,f=-0.25) USER MOD Single : A 89 MET CE :methyl 148:sc= -1.72 (180deg=-4.84!) USER MOD Single : A 90 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.036) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 160:sc= -0.553 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.972 13.362 0.238 1.00 0.00 N ATOM 127 CA VAL A 9 -5.269 12.117 0.527 1.00 0.00 C ATOM 128 C VAL A 9 -5.096 11.939 2.031 1.00 0.00 C ATOM 129 O VAL A 9 -5.178 12.904 2.792 1.00 0.00 O ATOM 130 CB VAL A 9 -3.882 12.078 -0.151 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.181 10.754 0.124 1.00 0.00 C ATOM 132 CG2 VAL A 9 -4.014 12.320 -1.646 1.00 0.00 C ATOM 0 HA VAL A 9 -5.875 11.304 0.127 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.271 12.875 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.206 10.750 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.050 10.628 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.785 9.935 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.027 12.289 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.645 11.547 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.465 13.297 -1.818 1.00 0.00 H new ATOM 142 N GLY A 10 -4.887 10.702 2.456 1.00 0.00 N ATOM 143 CA GLY A 10 -4.680 10.427 3.856 1.00 0.00 C ATOM 144 C GLY A 10 -3.227 10.119 4.137 1.00 0.00 C ATOM 145 O GLY A 10 -2.694 10.485 5.183 1.00 0.00 O ATOM 0 H GLY A 10 -4.858 9.882 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.995 11.285 4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.300 9.584 4.160 1.00 0.00 H new ATOM 149 N TRP A 11 -2.574 9.481 3.169 1.00 0.00 N ATOM 150 CA TRP A 11 -1.160 9.167 3.283 1.00 0.00 C ATOM 151 C TRP A 11 -0.342 10.453 3.307 1.00 0.00 C ATOM 152 O TRP A 11 -0.098 11.072 2.272 1.00 0.00 O ATOM 153 CB TRP A 11 -0.708 8.262 2.129 1.00 0.00 C ATOM 154 CG TRP A 11 0.781 8.158 1.994 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.625 7.421 2.770 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.601 8.848 1.047 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.921 7.597 2.354 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.934 8.469 1.296 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.335 9.740 0.007 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.998 8.954 0.542 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.393 10.222 -0.743 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.709 9.828 -0.472 1.00 0.00 C ATOM 0 H TRP A 11 -3.006 9.173 2.298 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.997 8.628 4.217 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.121 7.264 2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.123 8.643 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.319 6.791 3.592 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.741 7.151 2.765 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.323 10.048 -0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.014 8.652 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.201 10.913 -1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.513 10.222 -1.076 1.00 0.00 H new ATOM 173 N ASP A 12 0.072 10.840 4.499 1.00 0.00 N ATOM 174 CA ASP A 12 0.860 12.053 4.684 1.00 0.00 C ATOM 175 C ASP A 12 2.331 11.805 4.347 1.00 0.00 C ATOM 176 O ASP A 12 2.978 10.960 4.963 1.00 0.00 O ATOM 177 CB ASP A 12 0.735 12.549 6.126 1.00 0.00 C ATOM 178 CG ASP A 12 1.115 11.486 7.137 1.00 0.00 C ATOM 179 OD1 ASP A 12 1.339 10.328 6.726 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.187 11.810 8.341 1.00 0.00 O ATOM 0 H ASP A 12 -0.124 10.331 5.361 1.00 0.00 H new ATOM 0 HA ASP A 12 0.474 12.815 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.373 13.422 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.290 12.871 6.309 1.00 0.00 H new ATOM 185 N PRO A 13 2.886 12.543 3.367 1.00 0.00 N ATOM 186 CA PRO A 13 4.288 12.389 2.964 1.00 0.00 C ATOM 187 C PRO A 13 5.251 12.672 4.112 1.00 0.00 C ATOM 188 O PRO A 13 5.846 13.748 4.183 1.00 0.00 O ATOM 189 CB PRO A 13 4.469 13.427 1.851 1.00 0.00 C ATOM 190 CG PRO A 13 3.090 13.734 1.377 1.00 0.00 C ATOM 191 CD PRO A 13 2.199 13.576 2.575 1.00 0.00 C ATOM 0 HA PRO A 13 4.505 11.369 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.966 14.322 2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.085 13.034 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.031 14.746 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.792 13.057 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.099 14.509 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.194 13.265 2.292 1.00 0.00 H new ATOM 199 N GLN A 14 5.398 11.703 5.008 1.00 0.00 N ATOM 200 CA GLN A 14 6.289 11.851 6.152 1.00 0.00 C ATOM 201 C GLN A 14 6.204 10.635 7.069 1.00 0.00 C ATOM 202 O GLN A 14 7.168 9.884 7.211 1.00 0.00 O ATOM 203 CB GLN A 14 5.943 13.119 6.934 1.00 0.00 C ATOM 204 CG GLN A 14 6.942 14.248 6.736 1.00 0.00 C ATOM 205 CD GLN A 14 6.298 15.618 6.809 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.712 15.988 7.827 1.00 0.00 O ATOM 207 NE2 GLN A 14 6.403 16.380 5.726 1.00 0.00 N ATOM 0 H GLN A 14 4.912 10.807 4.964 1.00 0.00 H new ATOM 0 HA GLN A 14 7.310 11.931 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.954 13.463 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.886 12.877 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.721 14.176 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.429 14.131 5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.898 16.033 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.989 17.312 5.716 1.00 0.00 H new ATOM 216 N ASN A 15 5.043 10.449 7.688 1.00 0.00 N ATOM 217 CA ASN A 15 4.831 9.326 8.593 1.00 0.00 C ATOM 218 C ASN A 15 4.595 8.037 7.814 1.00 0.00 C ATOM 219 O ASN A 15 5.238 7.019 8.069 1.00 0.00 O ATOM 220 CB ASN A 15 3.640 9.603 9.511 1.00 0.00 C ATOM 221 CG ASN A 15 3.774 10.919 10.251 1.00 0.00 C ATOM 222 OD1 ASN A 15 4.882 11.391 10.508 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.641 11.520 10.597 1.00 0.00 N ATOM 0 H ASN A 15 4.235 11.062 7.579 1.00 0.00 H new ATOM 0 HA ASN A 15 5.729 9.205 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.724 9.613 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.545 8.792 10.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.667 12.409 11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.745 11.092 10.363 1.00 0.00 H new ATOM 230 N GLY A 16 3.669 8.089 6.862 1.00 0.00 N ATOM 231 CA GLY A 16 3.362 6.919 6.062 1.00 0.00 C ATOM 232 C GLY A 16 1.941 6.434 6.268 1.00 0.00 C ATOM 233 O GLY A 16 0.996 7.017 5.736 1.00 0.00 O ATOM 0 H GLY A 16 3.126 8.921 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.514 7.153 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.057 6.118 6.314 1.00 0.00 H new ATOM 237 N PHE A 17 1.788 5.367 7.045 1.00 0.00 N ATOM 238 CA PHE A 17 0.473 4.804 7.320 1.00 0.00 C ATOM 239 C PHE A 17 -0.062 5.293 8.661 1.00 0.00 C ATOM 240 O PHE A 17 0.614 6.030 9.380 1.00 0.00 O ATOM 241 CB PHE A 17 0.540 3.276 7.321 1.00 0.00 C ATOM 242 CG PHE A 17 0.447 2.664 5.955 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.587 2.442 5.200 1.00 0.00 C ATOM 244 CD2 PHE A 17 -0.782 2.299 5.429 1.00 0.00 C ATOM 245 CE1 PHE A 17 1.503 1.873 3.944 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.874 1.731 4.175 1.00 0.00 C ATOM 247 CZ PHE A 17 0.272 1.513 3.432 1.00 0.00 C ATOM 0 H PHE A 17 2.560 4.875 7.495 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.205 5.136 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.475 2.963 7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.269 2.887 7.939 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.553 2.717 5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.679 2.461 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.399 1.710 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.839 1.457 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.204 1.062 2.453 1.00 0.00 H new ATOM 257 N ASP A 18 -1.276 4.869 8.996 1.00 0.00 N ATOM 258 CA ASP A 18 -1.901 5.256 10.254 1.00 0.00 C ATOM 259 C ASP A 18 -2.821 4.151 10.764 1.00 0.00 C ATOM 260 O ASP A 18 -4.042 4.228 10.621 1.00 0.00 O ATOM 261 CB ASP A 18 -2.691 6.555 10.078 1.00 0.00 C ATOM 262 CG ASP A 18 -2.271 7.625 11.065 1.00 0.00 C ATOM 263 OD1 ASP A 18 -1.686 7.272 12.111 1.00 0.00 O ATOM 264 OD2 ASP A 18 -2.528 8.817 10.794 1.00 0.00 O ATOM 0 H ASP A 18 -1.846 4.257 8.413 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.113 5.417 10.989 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.552 6.927 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.755 6.350 10.200 1.00 0.00 H new ATOM 269 N VAL A 19 -2.226 3.120 11.353 1.00 0.00 N ATOM 270 CA VAL A 19 -2.990 1.995 11.881 1.00 0.00 C ATOM 271 C VAL A 19 -3.941 2.445 12.985 1.00 0.00 C ATOM 272 O VAL A 19 -4.972 1.817 13.224 1.00 0.00 O ATOM 273 CB VAL A 19 -2.063 0.896 12.430 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.134 0.386 11.339 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.268 1.414 13.620 1.00 0.00 C ATOM 0 H VAL A 19 -1.217 3.040 11.477 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.570 1.589 11.052 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.678 0.062 12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.486 -0.390 11.746 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.725 -0.027 10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.524 1.209 10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.618 0.624 13.995 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.662 2.265 13.310 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.954 1.725 14.408 1.00 0.00 H new ATOM 285 N ASN A 20 -3.589 3.539 13.654 1.00 0.00 N ATOM 286 CA ASN A 20 -4.413 4.074 14.731 1.00 0.00 C ATOM 287 C ASN A 20 -5.827 4.366 14.240 1.00 0.00 C ATOM 288 O ASN A 20 -6.801 4.171 14.969 1.00 0.00 O ATOM 289 CB ASN A 20 -3.785 5.351 15.295 1.00 0.00 C ATOM 290 CG ASN A 20 -3.274 6.274 14.207 1.00 0.00 C ATOM 291 OD1 ASN A 20 -3.709 6.197 13.057 1.00 0.00 O ATOM 292 ND2 ASN A 20 -2.346 7.154 14.564 1.00 0.00 N ATOM 0 H ASN A 20 -2.739 4.072 13.469 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.468 3.324 15.520 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.523 5.879 15.899 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.962 5.085 15.958 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.965 7.801 13.874 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.014 7.183 15.528 1.00 0.00 H new ATOM 299 N ASN A 21 -5.933 4.836 13.002 1.00 0.00 N ATOM 300 CA ASN A 21 -7.228 5.158 12.414 1.00 0.00 C ATOM 301 C ASN A 21 -7.401 4.479 11.060 1.00 0.00 C ATOM 302 O ASN A 21 -8.094 4.990 10.181 1.00 0.00 O ATOM 303 CB ASN A 21 -7.373 6.674 12.257 1.00 0.00 C ATOM 304 CG ASN A 21 -8.800 7.143 12.456 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.030 7.906 13.519 1.00 0.00 O flip ATOM 306 ND2 ASN A 21 -9.687 6.824 11.664 1.00 0.00 N flip ATOM 0 H ASN A 21 -5.137 5.003 12.386 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.004 4.788 13.084 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.726 7.174 12.977 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.032 6.968 11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.466 6.236 10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.643 7.148 11.811 1.00 0.00 H new ATOM 313 N LEU A 22 -6.769 3.321 10.899 1.00 0.00 N ATOM 314 CA LEU A 22 -6.854 2.569 9.652 1.00 0.00 C ATOM 315 C LEU A 22 -8.294 2.154 9.362 1.00 0.00 C ATOM 316 O LEU A 22 -9.073 1.897 10.280 1.00 0.00 O ATOM 317 CB LEU A 22 -5.955 1.332 9.718 1.00 0.00 C ATOM 318 CG LEU A 22 -4.895 1.242 8.619 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.948 0.081 8.886 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.552 1.094 7.256 1.00 0.00 C ATOM 0 H LEU A 22 -6.192 2.883 11.617 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.514 3.215 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.455 1.317 10.686 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.583 0.442 9.670 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.316 2.165 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.200 0.032 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.452 0.229 9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.513 -0.851 8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.783 1.031 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.156 0.187 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.189 1.957 7.063 1.00 0.00 H new ATOM 332 N ASP A 23 -8.641 2.090 8.080 1.00 0.00 N ATOM 333 CA ASP A 23 -9.987 1.703 7.669 1.00 0.00 C ATOM 334 C ASP A 23 -10.121 0.181 7.613 1.00 0.00 C ATOM 335 O ASP A 23 -9.244 -0.506 7.089 1.00 0.00 O ATOM 336 CB ASP A 23 -10.318 2.309 6.302 1.00 0.00 C ATOM 337 CG ASP A 23 -11.102 3.602 6.417 1.00 0.00 C ATOM 338 OD1 ASP A 23 -11.945 3.705 7.332 1.00 0.00 O ATOM 339 OD2 ASP A 23 -10.871 4.512 5.595 1.00 0.00 O ATOM 0 H ASP A 23 -8.009 2.301 7.308 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.692 2.085 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.393 2.496 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.892 1.590 5.718 1.00 0.00 H new ATOM 344 N PRO A 24 -11.223 -0.370 8.156 1.00 0.00 N ATOM 345 CA PRO A 24 -11.457 -1.819 8.168 1.00 0.00 C ATOM 346 C PRO A 24 -11.391 -2.429 6.772 1.00 0.00 C ATOM 347 O PRO A 24 -10.663 -3.395 6.539 1.00 0.00 O ATOM 348 CB PRO A 24 -12.869 -1.951 8.740 1.00 0.00 C ATOM 349 CG PRO A 24 -13.078 -0.706 9.529 1.00 0.00 C ATOM 350 CD PRO A 24 -12.319 0.371 8.806 1.00 0.00 C ATOM 0 HA PRO A 24 -10.698 -2.346 8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.610 -2.045 7.946 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.960 -2.837 9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.138 -0.459 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.713 -0.824 10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.945 0.885 8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.941 1.128 9.493 1.00 0.00 H new ATOM 358 N ASP A 25 -12.158 -1.862 5.846 1.00 0.00 N ATOM 359 CA ASP A 25 -12.195 -2.353 4.473 1.00 0.00 C ATOM 360 C ASP A 25 -10.788 -2.551 3.921 1.00 0.00 C ATOM 361 O ASP A 25 -10.467 -3.609 3.380 1.00 0.00 O ATOM 362 CB ASP A 25 -12.968 -1.376 3.585 1.00 0.00 C ATOM 363 CG ASP A 25 -14.254 -1.972 3.050 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.682 -3.024 3.569 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.835 -1.386 2.112 1.00 0.00 O ATOM 0 H ASP A 25 -12.764 -1.060 6.022 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.701 -3.318 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.198 -0.476 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.337 -1.072 2.750 1.00 0.00 H new ATOM 370 N LEU A 26 -9.953 -1.529 4.063 1.00 0.00 N ATOM 371 CA LEU A 26 -8.579 -1.596 3.582 1.00 0.00 C ATOM 372 C LEU A 26 -7.724 -2.455 4.505 1.00 0.00 C ATOM 373 O LEU A 26 -6.825 -3.165 4.054 1.00 0.00 O ATOM 374 CB LEU A 26 -7.988 -0.191 3.476 1.00 0.00 C ATOM 375 CG LEU A 26 -6.826 -0.048 2.492 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.734 -1.061 2.804 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.317 -0.214 1.062 1.00 0.00 C ATOM 0 H LEU A 26 -10.203 -0.645 4.507 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.585 -2.054 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.780 0.498 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.647 0.118 4.464 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.406 0.952 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.916 -0.944 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.363 -0.896 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.140 -2.069 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.478 -0.109 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.763 -1.202 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.063 0.550 0.843 1.00 0.00 H new ATOM 389 N ARG A 27 -8.016 -2.394 5.800 1.00 0.00 N ATOM 390 CA ARG A 27 -7.285 -3.183 6.782 1.00 0.00 C ATOM 391 C ARG A 27 -7.314 -4.659 6.405 1.00 0.00 C ATOM 392 O ARG A 27 -6.381 -5.406 6.701 1.00 0.00 O ATOM 393 CB ARG A 27 -7.882 -2.984 8.176 1.00 0.00 C ATOM 394 CG ARG A 27 -6.959 -2.249 9.133 1.00 0.00 C ATOM 395 CD ARG A 27 -7.568 -2.141 10.522 1.00 0.00 C ATOM 396 NE ARG A 27 -7.914 -3.449 11.072 1.00 0.00 N ATOM 397 CZ ARG A 27 -7.027 -4.274 11.620 1.00 0.00 C ATOM 398 NH1 ARG A 27 -5.749 -3.928 11.689 1.00 0.00 N ATOM 399 NH2 ARG A 27 -7.419 -5.447 12.100 1.00 0.00 N ATOM 0 H ARG A 27 -8.752 -1.807 6.192 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.249 -2.845 6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.816 -2.429 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.129 -3.958 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.004 -2.772 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.752 -1.251 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.864 -1.642 11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.462 -1.518 10.478 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.889 -3.746 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.444 -3.027 11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.071 -4.563 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.401 -5.716 12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.738 -6.079 12.520 1.00 0.00 H new ATOM 413 N SER A 28 -8.390 -5.068 5.740 1.00 0.00 N ATOM 414 CA SER A 28 -8.539 -6.450 5.302 1.00 0.00 C ATOM 415 C SER A 28 -7.870 -6.668 3.947 1.00 0.00 C ATOM 416 O SER A 28 -7.528 -7.795 3.589 1.00 0.00 O ATOM 417 CB SER A 28 -10.021 -6.823 5.219 1.00 0.00 C ATOM 418 OG SER A 28 -10.753 -5.846 4.500 1.00 0.00 O ATOM 0 H SER A 28 -9.172 -4.461 5.493 1.00 0.00 H new ATOM 0 HA SER A 28 -8.050 -7.092 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.128 -7.793 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.431 -6.923 6.224 1.00 0.00 H new ATOM 0 HG SER A 28 -10.131 -5.249 4.034 1.00 0.00 H new ATOM 424 N LEU A 29 -7.690 -5.584 3.196 1.00 0.00 N ATOM 425 CA LEU A 29 -7.055 -5.660 1.886 1.00 0.00 C ATOM 426 C LEU A 29 -5.569 -5.975 2.027 1.00 0.00 C ATOM 427 O LEU A 29 -4.959 -6.556 1.128 1.00 0.00 O ATOM 428 CB LEU A 29 -7.240 -4.343 1.127 1.00 0.00 C ATOM 429 CG LEU A 29 -7.339 -4.481 -0.394 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.665 -3.139 -1.030 1.00 0.00 C ATOM 431 CD2 LEU A 29 -6.046 -5.044 -0.963 1.00 0.00 C ATOM 0 H LEU A 29 -7.975 -4.645 3.473 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.530 -6.463 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.144 -3.855 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.404 -3.684 1.363 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.146 -5.176 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.732 -3.256 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.618 -2.776 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.880 -2.422 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.134 -5.135 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.220 -4.375 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.855 -6.026 -0.530 1.00 0.00 H new ATOM 443 N PHE A 30 -4.996 -5.596 3.164 1.00 0.00 N ATOM 444 CA PHE A 30 -3.585 -5.848 3.429 1.00 0.00 C ATOM 445 C PHE A 30 -3.367 -7.295 3.853 1.00 0.00 C ATOM 446 O PHE A 30 -2.625 -8.037 3.209 1.00 0.00 O ATOM 447 CB PHE A 30 -3.068 -4.901 4.513 1.00 0.00 C ATOM 448 CG PHE A 30 -2.680 -3.551 3.986 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.901 -3.441 2.845 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.099 -2.395 4.622 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.543 -2.202 2.352 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.743 -1.152 4.134 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.964 -1.056 2.997 1.00 0.00 C ATOM 0 H PHE A 30 -5.487 -5.113 3.917 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.029 -5.668 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.837 -4.778 5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.205 -5.355 5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.570 -4.334 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.711 -2.465 5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.934 -2.129 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.073 -0.257 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.685 -0.086 2.613 1.00 0.00 H new ATOM 463 N SER A 31 -4.026 -7.694 4.936 1.00 0.00 N ATOM 464 CA SER A 31 -3.916 -9.058 5.436 1.00 0.00 C ATOM 465 C SER A 31 -4.192 -10.063 4.322 1.00 0.00 C ATOM 466 O SER A 31 -3.717 -11.197 4.363 1.00 0.00 O ATOM 467 CB SER A 31 -4.892 -9.281 6.592 1.00 0.00 C ATOM 468 OG SER A 31 -4.269 -9.031 7.840 1.00 0.00 O ATOM 0 H SER A 31 -4.641 -7.092 5.483 1.00 0.00 H new ATOM 0 HA SER A 31 -2.899 -9.208 5.797 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.755 -8.626 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.264 -10.305 6.566 1.00 0.00 H new ATOM 0 HG SER A 31 -4.914 -9.179 8.563 1.00 0.00 H new ATOM 474 N ARG A 32 -4.962 -9.634 3.327 1.00 0.00 N ATOM 475 CA ARG A 32 -5.301 -10.492 2.198 1.00 0.00 C ATOM 476 C ARG A 32 -4.164 -10.529 1.183 1.00 0.00 C ATOM 477 O ARG A 32 -3.807 -11.591 0.675 1.00 0.00 O ATOM 478 CB ARG A 32 -6.582 -9.994 1.524 1.00 0.00 C ATOM 479 CG ARG A 32 -7.845 -10.296 2.314 1.00 0.00 C ATOM 480 CD ARG A 32 -9.048 -9.564 1.741 1.00 0.00 C ATOM 481 NE ARG A 32 -9.851 -10.423 0.875 1.00 0.00 N ATOM 482 CZ ARG A 32 -10.759 -11.283 1.328 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.976 -11.399 2.631 1.00 0.00 N ATOM 484 NH2 ARG A 32 -11.451 -12.029 0.476 1.00 0.00 N ATOM 0 H ARG A 32 -5.363 -8.697 3.280 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.462 -11.502 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.507 -8.917 1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.664 -10.450 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.033 -11.370 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.703 -10.006 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.668 -9.191 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.709 -8.696 1.176 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.708 -10.360 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.446 -10.828 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.673 -12.059 2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.287 -11.943 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.147 -12.688 0.824 1.00 0.00 H new ATOM 498 N ALA A 33 -3.600 -9.360 0.892 1.00 0.00 N ATOM 499 CA ALA A 33 -2.504 -9.258 -0.066 1.00 0.00 C ATOM 500 C ALA A 33 -1.203 -9.789 0.528 1.00 0.00 C ATOM 501 O ALA A 33 -0.300 -10.202 -0.201 1.00 0.00 O ATOM 502 CB ALA A 33 -2.333 -7.818 -0.521 1.00 0.00 C ATOM 0 H ALA A 33 -3.883 -8.472 1.305 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.752 -9.872 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.512 -7.757 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.253 -7.475 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.112 -7.188 0.341 1.00 0.00 H new ATOM 508 N GLY A 34 -1.116 -9.791 1.855 1.00 0.00 N ATOM 509 CA GLY A 34 0.073 -10.294 2.520 1.00 0.00 C ATOM 510 C GLY A 34 0.936 -9.191 3.103 1.00 0.00 C ATOM 511 O GLY A 34 2.159 -9.216 2.967 1.00 0.00 O ATOM 0 H GLY A 34 -1.847 -9.454 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.224 -10.976 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.663 -10.873 1.809 1.00 0.00 H new ATOM 515 N ILE A 35 0.303 -8.227 3.765 1.00 0.00 N ATOM 516 CA ILE A 35 1.030 -7.123 4.383 1.00 0.00 C ATOM 517 C ILE A 35 0.633 -6.961 5.848 1.00 0.00 C ATOM 518 O ILE A 35 -0.490 -7.281 6.235 1.00 0.00 O ATOM 519 CB ILE A 35 0.781 -5.794 3.646 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.978 -5.978 2.140 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.711 -4.715 4.176 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.812 -4.700 1.347 1.00 0.00 C ATOM 0 H ILE A 35 -0.709 -8.188 3.887 1.00 0.00 H new ATOM 0 HA ILE A 35 2.090 -7.368 4.317 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.248 -5.482 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.974 -6.381 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.264 -6.717 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.524 -3.781 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.531 -4.570 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.746 -5.019 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.966 -4.906 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.193 -4.306 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.544 -3.965 1.683 1.00 0.00 H new ATOM 534 N SER A 36 1.562 -6.465 6.658 1.00 0.00 N ATOM 535 CA SER A 36 1.308 -6.269 8.081 1.00 0.00 C ATOM 536 C SER A 36 1.760 -4.884 8.534 1.00 0.00 C ATOM 537 O SER A 36 2.217 -4.073 7.728 1.00 0.00 O ATOM 538 CB SER A 36 2.025 -7.343 8.899 1.00 0.00 C ATOM 539 OG SER A 36 3.257 -7.703 8.300 1.00 0.00 O ATOM 0 H SER A 36 2.497 -6.192 6.354 1.00 0.00 H new ATOM 0 HA SER A 36 0.233 -6.350 8.245 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.202 -6.976 9.910 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.388 -8.224 8.986 1.00 0.00 H new ATOM 0 HG SER A 36 3.651 -6.918 7.865 1.00 0.00 H new ATOM 545 N GLU A 37 1.629 -4.620 9.831 1.00 0.00 N ATOM 546 CA GLU A 37 2.023 -3.334 10.396 1.00 0.00 C ATOM 547 C GLU A 37 3.489 -3.034 10.103 1.00 0.00 C ATOM 548 O GLU A 37 3.836 -1.928 9.685 1.00 0.00 O ATOM 549 CB GLU A 37 1.780 -3.323 11.907 1.00 0.00 C ATOM 550 CG GLU A 37 0.771 -2.278 12.354 1.00 0.00 C ATOM 551 CD GLU A 37 -0.237 -2.828 13.344 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.026 -3.904 13.921 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.289 -2.184 13.540 1.00 0.00 O ATOM 0 H GLU A 37 1.253 -5.281 10.511 1.00 0.00 H new ATOM 0 HA GLU A 37 1.414 -2.559 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.432 -4.308 12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.726 -3.144 12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.299 -1.439 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.244 -1.890 11.482 1.00 0.00 H new ATOM 560 N ALA A 38 4.348 -4.024 10.327 1.00 0.00 N ATOM 561 CA ALA A 38 5.778 -3.867 10.086 1.00 0.00 C ATOM 562 C ALA A 38 6.039 -3.275 8.705 1.00 0.00 C ATOM 563 O ALA A 38 7.040 -2.590 8.490 1.00 0.00 O ATOM 564 CB ALA A 38 6.487 -5.206 10.230 1.00 0.00 C ATOM 0 H ALA A 38 4.078 -4.944 10.675 1.00 0.00 H new ATOM 0 HA ALA A 38 6.174 -3.176 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.554 -5.074 10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.336 -5.591 11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.080 -5.913 9.507 1.00 0.00 H new ATOM 570 N GLN A 39 5.132 -3.543 7.774 1.00 0.00 N ATOM 571 CA GLN A 39 5.259 -3.040 6.412 1.00 0.00 C ATOM 572 C GLN A 39 4.698 -1.627 6.299 1.00 0.00 C ATOM 573 O GLN A 39 5.177 -0.820 5.503 1.00 0.00 O ATOM 574 CB GLN A 39 4.529 -3.969 5.442 1.00 0.00 C ATOM 575 CG GLN A 39 5.423 -5.038 4.834 1.00 0.00 C ATOM 576 CD GLN A 39 5.373 -6.344 5.602 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.984 -6.377 6.768 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.771 -7.430 4.949 1.00 0.00 N ATOM 0 H GLN A 39 4.298 -4.107 7.938 1.00 0.00 H new ATOM 0 HA GLN A 39 6.318 -3.011 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.704 -4.452 5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.092 -3.373 4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.121 -5.216 3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.451 -4.675 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.086 -7.357 3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.761 -8.337 5.415 1.00 0.00 H new ATOM 587 N LEU A 40 3.676 -1.338 7.098 1.00 0.00 N ATOM 588 CA LEU A 40 3.043 -0.024 7.086 1.00 0.00 C ATOM 589 C LEU A 40 3.857 0.984 7.889 1.00 0.00 C ATOM 590 O LEU A 40 4.024 2.132 7.477 1.00 0.00 O ATOM 591 CB LEU A 40 1.626 -0.116 7.653 1.00 0.00 C ATOM 592 CG LEU A 40 0.765 -1.234 7.063 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.523 -1.389 7.857 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.460 -0.954 5.600 1.00 0.00 C ATOM 0 H LEU A 40 3.268 -1.996 7.762 1.00 0.00 H new ATOM 0 HA LEU A 40 2.996 0.318 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.691 -0.259 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.122 0.836 7.487 1.00 0.00 H new ATOM 0 HG LEU A 40 1.322 -2.169 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.124 -2.189 7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.285 -1.634 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.085 -0.455 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.153 -1.759 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.078 -0.010 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.393 -0.892 5.039 1.00 0.00 H new ATOM 606 N THR A 41 4.357 0.550 9.041 1.00 0.00 N ATOM 607 CA THR A 41 5.150 1.416 9.906 1.00 0.00 C ATOM 608 C THR A 41 6.392 1.921 9.182 1.00 0.00 C ATOM 609 O THR A 41 6.852 3.038 9.422 1.00 0.00 O ATOM 610 CB THR A 41 5.555 0.666 11.176 1.00 0.00 C ATOM 611 OG1 THR A 41 6.250 -0.526 10.853 1.00 0.00 O ATOM 612 CG2 THR A 41 4.380 0.291 12.053 1.00 0.00 C ATOM 0 H THR A 41 4.227 -0.397 9.398 1.00 0.00 H new ATOM 0 HA THR A 41 4.538 2.276 10.178 1.00 0.00 H new ATOM 0 HB THR A 41 6.191 1.357 11.729 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.628 -1.170 10.455 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.739 -0.238 12.936 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.853 1.194 12.361 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.701 -0.354 11.495 1.00 0.00 H new ATOM 620 N ASP A 42 6.932 1.092 8.294 1.00 0.00 N ATOM 621 CA ASP A 42 8.122 1.455 7.535 1.00 0.00 C ATOM 622 C ASP A 42 7.805 2.538 6.508 1.00 0.00 C ATOM 623 O ASP A 42 6.960 2.349 5.634 1.00 0.00 O ATOM 624 CB ASP A 42 8.700 0.224 6.834 1.00 0.00 C ATOM 625 CG ASP A 42 9.854 -0.391 7.602 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.938 0.231 7.640 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.675 -1.490 8.164 1.00 0.00 O ATOM 0 H ASP A 42 6.564 0.164 8.083 1.00 0.00 H new ATOM 0 HA ASP A 42 8.861 1.848 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.914 -0.521 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.039 0.503 5.836 1.00 0.00 H new ATOM 632 N ALA A 43 8.491 3.672 6.621 1.00 0.00 N ATOM 633 CA ALA A 43 8.282 4.785 5.704 1.00 0.00 C ATOM 634 C ALA A 43 8.875 4.485 4.332 1.00 0.00 C ATOM 635 O ALA A 43 8.438 5.035 3.321 1.00 0.00 O ATOM 636 CB ALA A 43 8.886 6.060 6.275 1.00 0.00 C ATOM 0 H ALA A 43 9.196 3.843 7.338 1.00 0.00 H new ATOM 0 HA ALA A 43 7.208 4.927 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.723 6.883 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.412 6.291 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.956 5.920 6.426 1.00 0.00 H new ATOM 642 N GLU A 44 9.876 3.610 4.302 1.00 0.00 N ATOM 643 CA GLU A 44 10.530 3.239 3.053 1.00 0.00 C ATOM 644 C GLU A 44 9.670 2.265 2.255 1.00 0.00 C ATOM 645 O GLU A 44 9.567 2.373 1.035 1.00 0.00 O ATOM 646 CB GLU A 44 11.899 2.617 3.333 1.00 0.00 C ATOM 647 CG GLU A 44 13.004 3.146 2.432 1.00 0.00 C ATOM 648 CD GLU A 44 14.354 3.177 3.121 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.451 2.682 4.263 1.00 0.00 O ATOM 650 OE2 GLU A 44 15.317 3.697 2.517 1.00 0.00 O ATOM 0 H GLU A 44 10.251 3.145 5.129 1.00 0.00 H new ATOM 0 HA GLU A 44 10.665 4.145 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.168 2.805 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.829 1.536 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.070 2.523 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.747 4.152 2.100 1.00 0.00 H new ATOM 657 N THR A 45 9.054 1.316 2.954 1.00 0.00 N ATOM 658 CA THR A 45 8.202 0.320 2.310 1.00 0.00 C ATOM 659 C THR A 45 6.848 0.920 1.933 1.00 0.00 C ATOM 660 O THR A 45 6.249 0.544 0.926 1.00 0.00 O ATOM 661 CB THR A 45 7.997 -0.878 3.238 1.00 0.00 C ATOM 662 OG1 THR A 45 9.179 -1.153 3.969 1.00 0.00 O ATOM 663 CG2 THR A 45 7.602 -2.141 2.505 1.00 0.00 C ATOM 0 H THR A 45 9.129 1.215 3.966 1.00 0.00 H new ATOM 0 HA THR A 45 8.699 -0.011 1.398 1.00 0.00 H new ATOM 0 HB THR A 45 7.181 -0.595 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.028 -1.921 4.558 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.472 -2.952 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.666 -1.975 1.972 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.383 -2.408 1.793 1.00 0.00 H new ATOM 671 N SER A 46 6.370 1.850 2.755 1.00 0.00 N ATOM 672 CA SER A 46 5.076 2.488 2.527 1.00 0.00 C ATOM 673 C SER A 46 4.992 3.107 1.134 1.00 0.00 C ATOM 674 O SER A 46 3.993 2.944 0.433 1.00 0.00 O ATOM 675 CB SER A 46 4.826 3.563 3.587 1.00 0.00 C ATOM 676 OG SER A 46 3.887 4.520 3.132 1.00 0.00 O ATOM 0 H SER A 46 6.860 2.179 3.587 1.00 0.00 H new ATOM 0 HA SER A 46 4.309 1.717 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.461 3.097 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.764 4.059 3.834 1.00 0.00 H new ATOM 0 HG SER A 46 3.624 5.100 3.877 1.00 0.00 H new ATOM 682 N LYS A 47 6.041 3.823 0.740 1.00 0.00 N ATOM 683 CA LYS A 47 6.076 4.479 -0.565 1.00 0.00 C ATOM 684 C LYS A 47 5.827 3.486 -1.701 1.00 0.00 C ATOM 685 O LYS A 47 5.465 3.879 -2.810 1.00 0.00 O ATOM 686 CB LYS A 47 7.421 5.177 -0.768 1.00 0.00 C ATOM 687 CG LYS A 47 7.373 6.302 -1.789 1.00 0.00 C ATOM 688 CD LYS A 47 8.563 7.236 -1.645 1.00 0.00 C ATOM 689 CE LYS A 47 8.151 8.692 -1.798 1.00 0.00 C ATOM 690 NZ LYS A 47 9.145 9.471 -2.584 1.00 0.00 N ATOM 0 H LYS A 47 6.878 3.964 1.305 1.00 0.00 H new ATOM 0 HA LYS A 47 5.276 5.220 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.761 5.578 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.159 4.440 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.359 5.882 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.449 6.867 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.026 7.089 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.314 6.989 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.179 8.744 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.035 9.142 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.827 10.458 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.067 9.443 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.237 9.058 -3.534 1.00 0.00 H new ATOM 704 N LEU A 48 6.058 2.206 -1.431 1.00 0.00 N ATOM 705 CA LEU A 48 5.832 1.160 -2.423 1.00 0.00 C ATOM 706 C LEU A 48 4.373 0.731 -2.409 1.00 0.00 C ATOM 707 O LEU A 48 3.796 0.385 -3.440 1.00 0.00 O ATOM 708 CB LEU A 48 6.715 -0.060 -2.135 1.00 0.00 C ATOM 709 CG LEU A 48 8.223 0.166 -2.254 1.00 0.00 C ATOM 710 CD1 LEU A 48 8.558 0.900 -3.543 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.743 0.927 -1.049 1.00 0.00 C ATOM 0 H LEU A 48 6.402 1.867 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 48 6.087 1.563 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.498 -0.412 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.432 -0.860 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 48 8.715 -0.806 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.636 1.050 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.223 0.309 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.056 1.867 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.818 1.079 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.244 1.894 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.541 0.356 -0.143 1.00 0.00 H new ATOM 723 N ILE A 49 3.796 0.741 -1.216 1.00 0.00 N ATOM 724 CA ILE A 49 2.423 0.312 -1.010 1.00 0.00 C ATOM 725 C ILE A 49 1.425 1.427 -1.295 1.00 0.00 C ATOM 726 O ILE A 49 0.252 1.160 -1.554 1.00 0.00 O ATOM 727 CB ILE A 49 2.237 -0.186 0.434 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.192 -1.344 0.714 1.00 0.00 C ATOM 729 CG2 ILE A 49 0.804 -0.614 0.691 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.871 -1.247 2.059 1.00 0.00 C ATOM 0 H ILE A 49 4.267 1.047 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 49 2.228 -0.499 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 49 2.465 0.639 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.640 -2.282 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.952 -1.376 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.707 -0.960 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.137 0.232 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.538 -1.422 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.535 -2.101 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.450 -0.325 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.118 -1.245 2.847 1.00 0.00 H new ATOM 742 N TYR A 50 1.879 2.677 -1.249 1.00 0.00 N ATOM 743 CA TYR A 50 0.977 3.793 -1.506 1.00 0.00 C ATOM 744 C TYR A 50 0.665 3.899 -2.996 1.00 0.00 C ATOM 745 O TYR A 50 -0.372 4.439 -3.380 1.00 0.00 O ATOM 746 CB TYR A 50 1.524 5.115 -0.898 1.00 0.00 C ATOM 747 CG TYR A 50 1.772 6.241 -1.887 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.877 6.220 -2.729 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.895 7.319 -1.979 1.00 0.00 C ATOM 750 CE1 TYR A 50 3.104 7.240 -3.632 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.118 8.342 -2.881 1.00 0.00 C ATOM 752 CZ TYR A 50 2.223 8.299 -3.705 1.00 0.00 C ATOM 753 OH TYR A 50 2.446 9.316 -4.603 1.00 0.00 O ATOM 0 H TYR A 50 2.843 2.938 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 50 0.030 3.602 -1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.819 5.466 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.459 4.897 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.569 5.393 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.028 7.356 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.968 7.209 -4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.430 9.172 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 50 1.731 9.982 -4.527 1.00 0.00 H new ATOM 763 N ASP A 51 1.526 3.326 -3.826 1.00 0.00 N ATOM 764 CA ASP A 51 1.265 3.284 -5.254 1.00 0.00 C ATOM 765 C ASP A 51 -0.024 2.504 -5.524 1.00 0.00 C ATOM 766 O ASP A 51 -0.619 2.622 -6.595 1.00 0.00 O ATOM 767 CB ASP A 51 2.438 2.636 -5.992 1.00 0.00 C ATOM 768 CG ASP A 51 3.417 3.658 -6.535 1.00 0.00 C ATOM 769 OD1 ASP A 51 2.990 4.531 -7.319 1.00 0.00 O ATOM 770 OD2 ASP A 51 4.610 3.585 -6.175 1.00 0.00 O ATOM 0 H ASP A 51 2.401 2.889 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 51 1.147 4.304 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.961 1.961 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.056 2.031 -6.814 1.00 0.00 H new ATOM 775 N PHE A 52 -0.458 1.718 -4.533 1.00 0.00 N ATOM 776 CA PHE A 52 -1.666 0.912 -4.661 1.00 0.00 C ATOM 777 C PHE A 52 -2.908 1.687 -4.215 1.00 0.00 C ATOM 778 O PHE A 52 -3.823 1.903 -5.010 1.00 0.00 O ATOM 779 CB PHE A 52 -1.525 -0.376 -3.845 1.00 0.00 C ATOM 780 CG PHE A 52 -2.741 -1.257 -3.903 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.783 -1.087 -3.005 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.844 -2.252 -4.863 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.903 -1.896 -3.062 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.960 -3.064 -4.922 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.991 -2.886 -4.021 1.00 0.00 C ATOM 0 H PHE A 52 0.014 1.626 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.792 0.660 -5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.663 -0.935 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.322 -0.118 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.720 -0.315 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.043 -2.394 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.709 -1.754 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.026 -3.838 -5.673 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.864 -3.520 -4.066 1.00 0.00 H new ATOM 795 N ILE A 53 -2.950 2.100 -2.945 1.00 0.00 N ATOM 796 CA ILE A 53 -4.103 2.851 -2.441 1.00 0.00 C ATOM 797 C ILE A 53 -4.209 4.213 -3.126 1.00 0.00 C ATOM 798 O ILE A 53 -5.273 4.832 -3.128 1.00 0.00 O ATOM 799 CB ILE A 53 -4.140 2.994 -0.889 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.369 1.857 -0.215 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.583 2.995 -0.421 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.532 1.834 1.289 1.00 0.00 C ATOM 0 H ILE A 53 -2.214 1.931 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.980 2.256 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.663 3.934 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.707 0.905 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.311 1.951 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.614 3.095 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.113 3.831 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.061 2.060 -0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.960 1.004 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.168 2.772 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.586 1.710 1.539 1.00 0.00 H new ATOM 814 N GLU A 54 -3.110 4.665 -3.728 1.00 0.00 N ATOM 815 CA GLU A 54 -3.096 5.946 -4.429 1.00 0.00 C ATOM 816 C GLU A 54 -3.620 5.801 -5.857 1.00 0.00 C ATOM 817 O GLU A 54 -4.316 6.681 -6.364 1.00 0.00 O ATOM 818 CB GLU A 54 -1.678 6.522 -4.453 1.00 0.00 C ATOM 819 CG GLU A 54 -1.624 7.985 -4.868 1.00 0.00 C ATOM 820 CD GLU A 54 -1.146 8.173 -6.295 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.664 7.189 -6.895 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.251 9.305 -6.811 1.00 0.00 O ATOM 0 H GLU A 54 -2.221 4.165 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.753 6.629 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.235 6.417 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.068 5.935 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.615 8.425 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.960 8.525 -4.193 1.00 0.00 H new ATOM 829 N ASP A 55 -3.267 4.696 -6.506 1.00 0.00 N ATOM 830 CA ASP A 55 -3.674 4.455 -7.888 1.00 0.00 C ATOM 831 C ASP A 55 -5.053 3.803 -7.966 1.00 0.00 C ATOM 832 O ASP A 55 -5.828 4.082 -8.881 1.00 0.00 O ATOM 833 CB ASP A 55 -2.643 3.568 -8.592 1.00 0.00 C ATOM 834 CG ASP A 55 -3.045 3.229 -10.014 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.826 2.271 -10.198 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.579 3.920 -10.944 1.00 0.00 O ATOM 0 H ASP A 55 -2.700 3.953 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.730 5.422 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.678 4.075 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.513 2.646 -8.025 1.00 0.00 H new ATOM 841 N GLN A 56 -5.351 2.928 -7.012 1.00 0.00 N ATOM 842 CA GLN A 56 -6.633 2.230 -6.989 1.00 0.00 C ATOM 843 C GLN A 56 -7.803 3.210 -6.998 1.00 0.00 C ATOM 844 O GLN A 56 -8.926 2.847 -7.345 1.00 0.00 O ATOM 845 CB GLN A 56 -6.722 1.330 -5.755 1.00 0.00 C ATOM 846 CG GLN A 56 -6.094 -0.039 -5.953 1.00 0.00 C ATOM 847 CD GLN A 56 -6.655 -0.768 -7.158 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.859 -0.738 -7.412 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.780 -1.427 -7.909 1.00 0.00 N ATOM 0 H GLN A 56 -4.724 2.685 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.694 1.619 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.233 1.827 -4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.770 1.204 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.016 0.073 -6.070 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.257 -0.642 -5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.791 -1.425 -7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.097 -1.936 -8.734 1.00 0.00 H new ATOM 858 N GLY A 57 -7.534 4.453 -6.614 1.00 0.00 N ATOM 859 CA GLY A 57 -8.577 5.460 -6.561 1.00 0.00 C ATOM 860 C GLY A 57 -8.600 6.169 -5.229 1.00 0.00 C ATOM 861 O GLY A 57 -9.003 7.330 -5.135 1.00 0.00 O ATOM 0 H GLY A 57 -6.609 4.782 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.422 6.187 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.545 4.992 -6.741 1.00 0.00 H new ATOM 865 N GLY A 58 -8.156 5.465 -4.196 1.00 0.00 N ATOM 866 CA GLY A 58 -8.120 6.036 -2.870 1.00 0.00 C ATOM 867 C GLY A 58 -8.449 5.022 -1.797 1.00 0.00 C ATOM 868 O GLY A 58 -9.131 4.034 -2.051 1.00 0.00 O ATOM 0 H GLY A 58 -7.819 4.504 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.130 6.451 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.828 6.863 -2.814 1.00 0.00 H new ATOM 872 N LEU A 59 -7.946 5.267 -0.601 1.00 0.00 N ATOM 873 CA LEU A 59 -8.166 4.381 0.532 1.00 0.00 C ATOM 874 C LEU A 59 -9.631 4.346 0.942 1.00 0.00 C ATOM 875 O LEU A 59 -10.259 3.287 0.944 1.00 0.00 O ATOM 876 CB LEU A 59 -7.329 4.881 1.677 1.00 0.00 C ATOM 877 CG LEU A 59 -7.557 4.209 3.023 1.00 0.00 C ATOM 878 CD1 LEU A 59 -8.496 5.058 3.861 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.082 2.787 2.878 1.00 0.00 C ATOM 0 H LEU A 59 -7.374 6.084 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.884 3.366 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.279 4.764 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.511 5.949 1.793 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.595 4.130 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.659 4.576 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.055 6.042 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.449 5.166 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.228 2.351 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.032 2.803 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.362 2.188 2.320 1.00 0.00 H new ATOM 891 N GLU A 60 -10.191 5.515 1.225 1.00 0.00 N ATOM 892 CA GLU A 60 -11.610 5.620 1.529 1.00 0.00 C ATOM 893 C GLU A 60 -12.390 5.520 0.228 1.00 0.00 C ATOM 894 O GLU A 60 -13.505 4.998 0.182 1.00 0.00 O ATOM 895 CB GLU A 60 -11.918 6.944 2.234 1.00 0.00 C ATOM 896 CG GLU A 60 -11.444 8.166 1.466 1.00 0.00 C ATOM 897 CD GLU A 60 -12.028 9.458 2.005 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.846 9.733 3.210 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.664 10.194 1.223 1.00 0.00 O ATOM 0 H GLU A 60 -9.685 6.400 1.250 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.900 4.812 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.994 7.020 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.450 6.940 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.356 8.218 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.717 8.059 0.416 1.00 0.00 H new ATOM 906 N ALA A 61 -11.749 5.987 -0.836 1.00 0.00 N ATOM 907 CA ALA A 61 -12.289 5.926 -2.174 1.00 0.00 C ATOM 908 C ALA A 61 -12.441 4.471 -2.617 1.00 0.00 C ATOM 909 O ALA A 61 -13.311 4.143 -3.424 1.00 0.00 O ATOM 910 CB ALA A 61 -11.361 6.696 -3.101 1.00 0.00 C ATOM 0 H ALA A 61 -10.828 6.423 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.280 6.378 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.752 6.662 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.296 7.733 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.369 6.246 -3.079 1.00 0.00 H new ATOM 916 N VAL A 62 -11.604 3.601 -2.050 1.00 0.00 N ATOM 917 CA VAL A 62 -11.667 2.172 -2.332 1.00 0.00 C ATOM 918 C VAL A 62 -12.887 1.574 -1.630 1.00 0.00 C ATOM 919 O VAL A 62 -13.599 0.745 -2.195 1.00 0.00 O ATOM 920 CB VAL A 62 -10.353 1.454 -1.891 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.570 -0.011 -1.508 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.310 1.553 -2.995 1.00 0.00 C ATOM 0 H VAL A 62 -10.872 3.866 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.767 2.023 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.000 1.966 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.619 -0.454 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.273 -0.070 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.972 -0.555 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.396 1.049 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.691 1.079 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.094 2.602 -3.199 1.00 0.00 H new ATOM 932 N ARG A 63 -13.127 2.018 -0.399 1.00 0.00 N ATOM 933 CA ARG A 63 -14.276 1.554 0.365 1.00 0.00 C ATOM 934 C ARG A 63 -15.549 1.721 -0.453 1.00 0.00 C ATOM 935 O ARG A 63 -16.502 0.957 -0.305 1.00 0.00 O ATOM 936 CB ARG A 63 -14.392 2.327 1.680 1.00 0.00 C ATOM 937 CG ARG A 63 -13.261 2.044 2.655 1.00 0.00 C ATOM 938 CD ARG A 63 -13.647 2.406 4.080 1.00 0.00 C ATOM 939 NE ARG A 63 -14.359 3.678 4.150 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.114 4.043 5.182 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.251 3.232 6.224 1.00 0.00 N ATOM 942 NH2 ARG A 63 -15.730 5.217 5.174 1.00 0.00 N ATOM 0 H ARG A 63 -12.541 2.697 0.088 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.137 0.497 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.415 3.395 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.341 2.078 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.994 0.988 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.377 2.610 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.273 1.617 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.749 2.459 4.696 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.273 4.322 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.777 2.329 6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.830 3.512 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.625 5.842 4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.309 5.495 5.967 1.00 0.00 H new ATOM 956 N GLN A 64 -15.543 2.714 -1.339 1.00 0.00 N ATOM 957 CA GLN A 64 -16.687 2.965 -2.207 1.00 0.00 C ATOM 958 C GLN A 64 -16.833 1.851 -3.238 1.00 0.00 C ATOM 959 O GLN A 64 -17.938 1.542 -3.683 1.00 0.00 O ATOM 960 CB GLN A 64 -16.532 4.311 -2.917 1.00 0.00 C ATOM 961 CG GLN A 64 -17.035 5.491 -2.104 1.00 0.00 C ATOM 962 CD GLN A 64 -16.015 6.606 -2.006 1.00 0.00 C ATOM 963 OE1 GLN A 64 -15.310 6.667 -0.882 1.00 0.00 O flip ATOM 964 NE2 GLN A 64 -15.859 7.404 -2.931 1.00 0.00 N flip ATOM 0 H GLN A 64 -14.761 3.355 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.584 2.991 -1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.480 4.467 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.071 4.277 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -17.948 5.877 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.295 5.152 -1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.422 7.320 -3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.166 8.148 -2.851 1.00 0.00 H new ATOM 973 N GLU A 65 -15.706 1.253 -3.613 1.00 0.00 N ATOM 974 CA GLU A 65 -15.700 0.172 -4.592 1.00 0.00 C ATOM 975 C GLU A 65 -15.977 -1.173 -3.927 1.00 0.00 C ATOM 976 O GLU A 65 -16.903 -1.887 -4.312 1.00 0.00 O ATOM 977 CB GLU A 65 -14.354 0.125 -5.317 1.00 0.00 C ATOM 978 CG GLU A 65 -14.217 -1.051 -6.272 1.00 0.00 C ATOM 979 CD GLU A 65 -14.227 -0.626 -7.728 1.00 0.00 C ATOM 980 OE1 GLU A 65 -13.995 0.570 -8.002 1.00 0.00 O ATOM 981 OE2 GLU A 65 -14.465 -1.492 -8.597 1.00 0.00 O ATOM 0 H GLU A 65 -14.784 1.500 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.492 0.367 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.218 1.052 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.554 0.077 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.289 -1.581 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.032 -1.753 -6.097 1.00 0.00 H new ATOM 988 N MET A 66 -15.165 -1.513 -2.930 1.00 0.00 N ATOM 989 CA MET A 66 -15.315 -2.776 -2.212 1.00 0.00 C ATOM 990 C MET A 66 -16.768 -3.011 -1.810 1.00 0.00 C ATOM 991 O MET A 66 -17.245 -4.146 -1.801 1.00 0.00 O ATOM 992 CB MET A 66 -14.425 -2.784 -0.967 1.00 0.00 C ATOM 993 CG MET A 66 -13.127 -3.550 -1.153 1.00 0.00 C ATOM 994 SD MET A 66 -12.356 -4.001 0.414 1.00 0.00 S ATOM 995 CE MET A 66 -11.306 -5.359 -0.099 1.00 0.00 C ATOM 0 H MET A 66 -14.395 -0.931 -2.600 1.00 0.00 H new ATOM 0 HA MET A 66 -15.009 -3.581 -2.880 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.194 -1.756 -0.689 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.980 -3.221 -0.137 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.322 -4.453 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.432 -2.944 -1.734 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.763 -5.745 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.920 -6.152 -0.526 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.596 -5.007 -0.847 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.661 -6.566 -7.004 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.686 -5.502 -6.794 1.00 0.00 C ATOM 1183 C LEU A 81 -6.616 -5.940 -5.800 1.00 0.00 C ATOM 1184 O LEU A 81 -5.474 -5.484 -5.860 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.380 -4.235 -6.291 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.290 -4.433 -5.076 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -9.169 -3.255 -4.123 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.733 -4.621 -5.517 1.00 0.00 C ATOM 0 HA LEU A 81 -7.206 -5.287 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.618 -3.498 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.972 -3.816 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.973 -5.333 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.823 -3.412 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.137 -3.167 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.460 -2.339 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.366 -4.760 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.063 -3.740 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.806 -5.498 -6.160 1.00 0.00 H new ATOM 1200 N VAL A 82 -6.993 -6.833 -4.890 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.066 -7.342 -3.887 1.00 0.00 C ATOM 1202 C VAL A 82 -4.833 -7.954 -4.546 1.00 0.00 C ATOM 1203 O VAL A 82 -3.749 -7.971 -3.962 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.732 -8.399 -2.986 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.788 -8.821 -1.871 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.039 -7.868 -2.417 1.00 0.00 C ATOM 0 H VAL A 82 -7.935 -7.219 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.767 -6.493 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.957 -9.277 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.276 -9.568 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.882 -9.245 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.529 -7.953 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.495 -8.628 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.842 -6.973 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.718 -7.621 -3.233 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.006 -8.449 -5.767 1.00 0.00 N ATOM 1217 CA GLY A 83 -3.898 -9.047 -6.488 1.00 0.00 C ATOM 1218 C GLY A 83 -2.899 -8.015 -6.967 1.00 0.00 C ATOM 1219 O GLY A 83 -1.695 -8.273 -7.000 1.00 0.00 O ATOM 0 H GLY A 83 -5.893 -8.447 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.393 -9.766 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.282 -9.602 -7.344 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.398 -6.840 -7.337 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.541 -5.760 -7.812 1.00 0.00 C ATOM 1225 C ALA A 84 -1.530 -5.356 -6.745 1.00 0.00 C ATOM 1226 O ALA A 84 -0.414 -4.939 -7.058 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.381 -4.562 -8.228 1.00 0.00 C ATOM 0 H ALA A 84 -4.392 -6.612 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.990 -6.120 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.727 -3.764 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.060 -4.854 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.958 -4.208 -7.374 1.00 0.00 H new ATOM 1233 N LEU A 85 -1.928 -5.482 -5.483 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.056 -5.134 -4.368 1.00 0.00 C ATOM 1235 C LEU A 85 0.074 -6.150 -4.228 1.00 0.00 C ATOM 1236 O LEU A 85 1.241 -5.780 -4.102 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.858 -5.064 -3.067 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.428 -3.958 -2.100 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.294 -3.978 -0.850 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.040 -4.109 -1.736 1.00 0.00 C ATOM 0 H LEU A 85 -2.849 -5.823 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.621 -4.155 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.910 -4.921 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.778 -6.024 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.561 -2.996 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.975 -3.185 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.336 -3.821 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.192 -4.942 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.328 -3.314 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.199 -5.076 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.647 -4.045 -2.639 1.00 0.00 H new ATOM 1252 N MET A 86 -0.282 -7.430 -4.253 1.00 0.00 N ATOM 1253 CA MET A 86 0.703 -8.497 -4.136 1.00 0.00 C ATOM 1254 C MET A 86 1.781 -8.356 -5.206 1.00 0.00 C ATOM 1255 O MET A 86 2.922 -8.775 -5.011 1.00 0.00 O ATOM 1256 CB MET A 86 0.023 -9.863 -4.258 1.00 0.00 C ATOM 1257 CG MET A 86 -1.129 -10.057 -3.286 1.00 0.00 C ATOM 1258 SD MET A 86 -1.640 -11.781 -3.146 1.00 0.00 S ATOM 1259 CE MET A 86 -3.418 -11.619 -3.278 1.00 0.00 C ATOM 0 H MET A 86 -1.244 -7.753 -4.353 1.00 0.00 H new ATOM 0 HA MET A 86 1.174 -8.420 -3.156 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.347 -9.986 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.764 -10.645 -4.091 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.835 -9.689 -2.303 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.978 -9.456 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.819 -12.461 -3.842 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.857 -11.608 -2.281 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.661 -10.689 -3.792 1.00 0.00 H new ATOM 1269 N HIS A 87 1.410 -7.760 -6.334 1.00 0.00 N ATOM 1270 CA HIS A 87 2.342 -7.553 -7.435 1.00 0.00 C ATOM 1271 C HIS A 87 3.229 -6.341 -7.170 1.00 0.00 C ATOM 1272 O HIS A 87 4.373 -6.285 -7.619 1.00 0.00 O ATOM 1273 CB HIS A 87 1.579 -7.362 -8.746 1.00 0.00 C ATOM 1274 CG HIS A 87 2.469 -7.234 -9.942 1.00 0.00 C ATOM 1275 ND1 HIS A 87 3.801 -7.424 -10.075 1.00 0.00 N flip ATOM 1276 CD2 HIS A 87 2.008 -6.868 -11.189 1.00 0.00 C flip ATOM 1277 CE1 HIS A 87 4.118 -7.173 -11.386 1.00 0.00 C flip ATOM 1278 NE2 HIS A 87 3.020 -6.839 -12.038 1.00 0.00 N flip ATOM 0 H HIS A 87 0.468 -7.411 -6.509 1.00 0.00 H new ATOM 0 HA HIS A 87 2.975 -8.437 -7.517 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.907 -8.207 -8.892 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.957 -6.470 -8.669 1.00 0.00 H new ATOM 0 HD1 HIS A 87 4.449 -7.702 -9.338 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.981 -6.641 -11.433 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.107 -7.238 -11.815 1.00 0.00 H new ATOM 1287 N VAL A 88 2.690 -5.373 -6.435 1.00 0.00 N ATOM 1288 CA VAL A 88 3.429 -4.162 -6.103 1.00 0.00 C ATOM 1289 C VAL A 88 4.512 -4.452 -5.069 1.00 0.00 C ATOM 1290 O VAL A 88 5.611 -3.900 -5.134 1.00 0.00 O ATOM 1291 CB VAL A 88 2.493 -3.064 -5.563 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.280 -1.807 -5.223 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.395 -2.756 -6.570 1.00 0.00 C ATOM 0 H VAL A 88 1.743 -5.405 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 88 3.894 -3.807 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 88 2.026 -3.430 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.601 -1.044 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.026 -2.039 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.778 -1.436 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.744 -1.978 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.843 -2.412 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.811 -3.657 -6.759 1.00 0.00 H new ATOM 1303 N MET A 89 4.197 -5.326 -4.118 1.00 0.00 N ATOM 1304 CA MET A 89 5.144 -5.692 -3.072 1.00 0.00 C ATOM 1305 C MET A 89 6.275 -6.543 -3.636 1.00 0.00 C ATOM 1306 O MET A 89 7.425 -6.424 -3.213 1.00 0.00 O ATOM 1307 CB MET A 89 4.432 -6.455 -1.953 1.00 0.00 C ATOM 1308 CG MET A 89 3.204 -5.739 -1.414 1.00 0.00 C ATOM 1309 SD MET A 89 3.517 -4.001 -1.052 1.00 0.00 S ATOM 1310 CE MET A 89 4.532 -4.139 0.416 1.00 0.00 C ATOM 0 H MET A 89 3.293 -5.794 -4.051 1.00 0.00 H new ATOM 0 HA MET A 89 5.568 -4.774 -2.666 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.136 -7.436 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.133 -6.622 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.396 -5.815 -2.141 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.865 -6.240 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.244 -3.314 0.445 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.898 -4.102 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.073 -5.085 0.397 1.00 0.00 H new ATOM 1320 N GLN A 90 5.942 -7.402 -4.592 1.00 0.00 N ATOM 1321 CA GLN A 90 6.930 -8.273 -5.215 1.00 0.00 C ATOM 1322 C GLN A 90 8.085 -7.459 -5.787 1.00 0.00 C ATOM 1323 O GLN A 90 9.206 -7.954 -5.911 1.00 0.00 O ATOM 1324 CB GLN A 90 6.283 -9.108 -6.321 1.00 0.00 C ATOM 1325 CG GLN A 90 5.436 -10.256 -5.800 1.00 0.00 C ATOM 1326 CD GLN A 90 6.271 -11.420 -5.305 1.00 0.00 C ATOM 1327 OE1 GLN A 90 7.065 -11.993 -6.052 1.00 0.00 O ATOM 1328 NE2 GLN A 90 6.097 -11.777 -4.038 1.00 0.00 N ATOM 0 H GLN A 90 4.994 -7.514 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 90 7.322 -8.942 -4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.661 -8.459 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.065 -9.508 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.804 -9.897 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.772 -10.601 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.428 -11.275 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.632 -12.553 -3.649 1.00 0.00 H new ATOM 1337 N LYS A 91 7.806 -6.208 -6.134 1.00 0.00 N ATOM 1338 CA LYS A 91 8.822 -5.324 -6.691 1.00 0.00 C ATOM 1339 C LYS A 91 9.967 -5.125 -5.705 1.00 0.00 C ATOM 1340 O LYS A 91 11.100 -5.532 -5.965 1.00 0.00 O ATOM 1341 CB LYS A 91 8.207 -3.972 -7.055 1.00 0.00 C ATOM 1342 CG LYS A 91 9.018 -3.189 -8.074 1.00 0.00 C ATOM 1343 CD LYS A 91 8.970 -3.841 -9.446 1.00 0.00 C ATOM 1344 CE LYS A 91 8.874 -2.804 -10.553 1.00 0.00 C ATOM 1345 NZ LYS A 91 9.845 -3.068 -11.650 1.00 0.00 N ATOM 0 H LYS A 91 6.884 -5.783 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 91 9.219 -5.789 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.203 -4.133 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.103 -3.374 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.635 -2.171 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.053 -3.119 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.863 -4.449 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.114 -4.513 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.862 -2.799 -10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.056 -1.813 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.746 -2.338 -12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.813 -3.048 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.655 -4.003 -12.064 1.00 0.00 H new ATOM 1359 N ARG A 92 9.665 -4.502 -4.570 1.00 0.00 N ATOM 1360 CA ARG A 92 10.671 -4.251 -3.546 1.00 0.00 C ATOM 1361 C ARG A 92 11.161 -5.559 -2.932 1.00 0.00 C ATOM 1362 O ARG A 92 12.359 -5.750 -2.729 1.00 0.00 O ATOM 1363 CB ARG A 92 10.107 -3.342 -2.454 1.00 0.00 C ATOM 1364 CG ARG A 92 11.177 -2.730 -1.565 1.00 0.00 C ATOM 1365 CD ARG A 92 11.495 -1.303 -1.977 1.00 0.00 C ATOM 1366 NE ARG A 92 12.918 -1.114 -2.257 1.00 0.00 N ATOM 1367 CZ ARG A 92 13.478 -1.315 -3.449 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.745 -1.714 -4.481 1.00 0.00 N ATOM 1369 NH2 ARG A 92 14.779 -1.118 -3.609 1.00 0.00 N ATOM 0 H ARG A 92 8.732 -4.162 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 92 11.517 -3.753 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.531 -2.542 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.416 -3.915 -1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.841 -2.744 -0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 92 12.083 -3.335 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.915 -1.044 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.188 -0.621 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 92 13.519 -0.809 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.744 -1.869 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.183 -1.865 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.349 -0.813 -2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.210 -1.271 -4.521 1.00 0.00 H new ATOM 1383 N SER A 93 10.224 -6.458 -2.643 1.00 0.00 N ATOM 1384 CA SER A 93 10.558 -7.751 -2.054 1.00 0.00 C ATOM 1385 C SER A 93 11.702 -8.417 -2.812 1.00 0.00 C ATOM 1386 O SER A 93 12.713 -8.800 -2.222 1.00 0.00 O ATOM 1387 CB SER A 93 9.332 -8.666 -2.054 1.00 0.00 C ATOM 1388 OG SER A 93 9.256 -9.419 -3.251 1.00 0.00 O ATOM 0 H SER A 93 9.228 -6.315 -2.807 1.00 0.00 H new ATOM 0 HA SER A 93 10.878 -7.581 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.378 -9.341 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.428 -8.068 -1.939 1.00 0.00 H new ATOM 0 HG SER A 93 8.683 -10.201 -3.110 1.00 0.00 H new