USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 805 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 25 TYR OH : rot 59:sc= 0.979 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -2.09! C(o=-1.1!,f=-2.9!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 84:sc= -1.25 USER MOD Single : A 19 GLN : amide:sc= 0.383 K(o=0.38,f=-1) USER MOD Single : A 20 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.02) USER MOD Single : A 21 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 22 THR OG1 : rot -78:sc= 1.07 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.239 F(o=-0.91,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -30:sc= 0.418 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -160:sc= -0.74 USER MOD Single : A 56 ASN : amide:sc= -2.48! C(o=-2.5!,f=-5.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.11! C(o=-4.1!,f=-15!) USER MOD Single : A 68 ASN : amide:sc= -1.98 K(o=-2,f=-7.8!) USER MOD Single : A 69 ASN : amide:sc= 0.812 K(o=0.81,f=-0.21) USER MOD Single : A 70 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 87 THR OG1 : rot 180:sc=0.000548 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 147:sc= 0 (180deg=-1.54!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.0722 (180deg=-0.372) USER MOD Single : A 102 MET CE :methyl 164:sc=-0.00883 (180deg=-0.436) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.010 -7.853 2.161 1.00 0.00 N ATOM 136 CA SER A 12 -7.159 -8.023 3.601 1.00 0.00 C ATOM 137 C SER A 12 -6.352 -6.973 4.358 1.00 0.00 C ATOM 138 O SER A 12 -6.890 -6.235 5.183 1.00 0.00 O ATOM 139 CB SER A 12 -6.711 -9.426 4.019 1.00 0.00 C ATOM 140 OG SER A 12 -7.084 -9.702 5.358 1.00 0.00 O ATOM 0 HA SER A 12 -8.212 -7.896 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.156 -10.166 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.629 -9.512 3.914 1.00 0.00 H new ATOM 0 HG SER A 12 -6.788 -10.604 5.601 1.00 0.00 H new ATOM 146 N LYS A 13 -5.056 -6.912 4.072 1.00 0.00 N ATOM 147 CA LYS A 13 -4.172 -5.953 4.723 1.00 0.00 C ATOM 148 C LYS A 13 -4.635 -4.523 4.463 1.00 0.00 C ATOM 149 O LYS A 13 -4.783 -3.728 5.392 1.00 0.00 O ATOM 150 CB LYS A 13 -2.735 -6.133 4.228 1.00 0.00 C ATOM 151 CG LYS A 13 -2.050 -7.369 4.786 1.00 0.00 C ATOM 152 CD LYS A 13 -1.382 -7.081 6.120 1.00 0.00 C ATOM 153 CE LYS A 13 -0.454 -8.213 6.534 1.00 0.00 C ATOM 154 NZ LYS A 13 -0.100 -8.139 7.979 1.00 0.00 N ATOM 0 H LYS A 13 -4.594 -7.516 3.393 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.205 -6.138 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.739 -6.190 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.153 -5.252 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.782 -8.167 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.305 -7.726 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.816 -6.152 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.144 -6.935 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.933 -9.170 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.456 -8.175 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.533 -8.927 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.380 -7.237 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.966 -8.201 8.552 1.00 0.00 H new ATOM 168 N LEU A 14 -4.862 -4.202 3.194 1.00 0.00 N ATOM 169 CA LEU A 14 -5.310 -2.867 2.811 1.00 0.00 C ATOM 170 C LEU A 14 -6.454 -2.399 3.705 1.00 0.00 C ATOM 171 O LEU A 14 -6.423 -1.290 4.241 1.00 0.00 O ATOM 172 CB LEU A 14 -5.755 -2.858 1.348 1.00 0.00 C ATOM 173 CG LEU A 14 -6.547 -1.630 0.895 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.683 -0.381 0.967 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.082 -1.831 -0.516 1.00 0.00 C ATOM 0 H LEU A 14 -4.743 -4.847 2.413 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.473 -2.180 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.869 -2.947 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.363 -3.744 1.169 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.394 -1.499 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.263 0.482 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.350 -0.228 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.815 -0.501 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.643 -0.948 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.249 -1.988 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.737 -2.702 -0.536 1.00 0.00 H new ATOM 187 N LEU A 15 -7.460 -3.251 3.864 1.00 0.00 N ATOM 188 CA LEU A 15 -8.614 -2.926 4.696 1.00 0.00 C ATOM 189 C LEU A 15 -8.175 -2.512 6.097 1.00 0.00 C ATOM 190 O LEU A 15 -8.627 -1.497 6.627 1.00 0.00 O ATOM 191 CB LEU A 15 -9.562 -4.124 4.779 1.00 0.00 C ATOM 192 CG LEU A 15 -10.725 -3.993 5.763 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.664 -2.877 5.333 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.476 -5.311 5.879 1.00 0.00 C ATOM 0 H LEU A 15 -7.501 -4.172 3.428 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.138 -2.088 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.972 -4.307 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.980 -5.004 5.051 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.321 -3.741 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.486 -2.798 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.118 -1.934 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.062 -3.098 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.300 -5.199 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.869 -5.593 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.797 -6.086 6.235 1.00 0.00 H new ATOM 206 N THR A 16 -7.289 -3.305 6.693 1.00 0.00 N ATOM 207 CA THR A 16 -6.788 -3.021 8.032 1.00 0.00 C ATOM 208 C THR A 16 -6.182 -1.624 8.107 1.00 0.00 C ATOM 209 O THR A 16 -6.644 -0.778 8.872 1.00 0.00 O ATOM 210 CB THR A 16 -5.729 -4.052 8.465 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.283 -5.372 8.421 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.227 -3.754 9.870 1.00 0.00 C ATOM 0 H THR A 16 -6.904 -4.149 6.269 1.00 0.00 H new ATOM 0 HA THR A 16 -7.641 -3.081 8.709 1.00 0.00 H new ATOM 0 HB THR A 16 -4.888 -3.988 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.603 -6.022 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.480 -4.495 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.780 -2.760 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.061 -3.793 10.570 1.00 0.00 H new ATOM 220 N TRP A 17 -5.146 -1.391 7.310 1.00 0.00 N ATOM 221 CA TRP A 17 -4.477 -0.095 7.287 1.00 0.00 C ATOM 222 C TRP A 17 -5.485 1.035 7.109 1.00 0.00 C ATOM 223 O TRP A 17 -5.375 2.084 7.746 1.00 0.00 O ATOM 224 CB TRP A 17 -3.442 -0.052 6.162 1.00 0.00 C ATOM 225 CG TRP A 17 -2.705 1.250 6.082 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.601 1.613 6.800 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.020 2.363 5.237 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.212 2.885 6.452 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.065 3.366 5.495 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.015 2.608 4.287 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.079 4.593 4.838 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.027 3.827 3.635 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.064 4.806 3.912 1.00 0.00 C ATOM 0 H TRP A 17 -4.751 -2.081 6.672 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.971 0.041 8.243 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.724 -0.859 6.308 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.942 -0.237 5.211 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.107 0.992 7.533 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.416 3.389 6.844 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.761 1.859 4.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.339 5.350 5.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.792 4.028 2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.100 5.748 3.384 1.00 0.00 H new ATOM 244 N CYS A 18 -6.467 0.816 6.241 1.00 0.00 N ATOM 245 CA CYS A 18 -7.495 1.817 5.980 1.00 0.00 C ATOM 246 C CYS A 18 -8.341 2.064 7.224 1.00 0.00 C ATOM 247 O CYS A 18 -8.643 3.208 7.563 1.00 0.00 O ATOM 248 CB CYS A 18 -8.387 1.371 4.821 1.00 0.00 C ATOM 249 SG CYS A 18 -7.512 1.166 3.252 1.00 0.00 S ATOM 0 H CYS A 18 -6.573 -0.046 5.706 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.000 2.749 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.863 0.427 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.184 2.103 4.687 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.962 -0.011 3.212 1.00 0.00 H new ATOM 255 N GLN A 19 -8.723 0.984 7.898 1.00 0.00 N ATOM 256 CA GLN A 19 -9.537 1.085 9.103 1.00 0.00 C ATOM 257 C GLN A 19 -8.836 1.925 10.166 1.00 0.00 C ATOM 258 O GLN A 19 -9.455 2.776 10.804 1.00 0.00 O ATOM 259 CB GLN A 19 -9.841 -0.308 9.657 1.00 0.00 C ATOM 260 CG GLN A 19 -11.109 -0.926 9.089 1.00 0.00 C ATOM 261 CD GLN A 19 -11.325 -2.351 9.559 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.392 -3.017 10.008 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.561 -2.825 9.460 1.00 0.00 N ATOM 0 H GLN A 19 -8.482 0.030 7.630 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.473 1.576 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.999 -0.966 9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.931 -0.247 10.742 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.966 -0.318 9.379 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.060 -0.910 8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.304 -2.237 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.768 -3.777 9.762 1.00 0.00 H new ATOM 272 N GLN A 20 -7.543 1.680 10.349 1.00 0.00 N ATOM 273 CA GLN A 20 -6.759 2.414 11.335 1.00 0.00 C ATOM 274 C GLN A 20 -6.766 3.909 11.033 1.00 0.00 C ATOM 275 O GLN A 20 -7.214 4.713 11.849 1.00 0.00 O ATOM 276 CB GLN A 20 -5.320 1.894 11.363 1.00 0.00 C ATOM 277 CG GLN A 20 -5.196 0.477 11.900 1.00 0.00 C ATOM 278 CD GLN A 20 -3.773 0.119 12.280 1.00 0.00 C ATOM 279 OE1 GLN A 20 -3.166 0.765 13.134 1.00 0.00 O ATOM 280 NE2 GLN A 20 -3.232 -0.914 11.646 1.00 0.00 N ATOM 0 H GLN A 20 -7.016 0.979 9.828 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.214 2.258 12.313 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.910 1.928 10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.713 2.561 11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.840 0.366 12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.555 -0.225 11.147 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.772 -1.421 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.277 -1.200 11.860 1.00 0.00 H new ATOM 289 N GLN A 21 -6.267 4.272 9.856 1.00 0.00 N ATOM 290 CA GLN A 21 -6.215 5.670 9.447 1.00 0.00 C ATOM 291 C GLN A 21 -7.547 6.364 9.711 1.00 0.00 C ATOM 292 O GLN A 21 -7.602 7.394 10.384 1.00 0.00 O ATOM 293 CB GLN A 21 -5.855 5.778 7.965 1.00 0.00 C ATOM 294 CG GLN A 21 -4.483 5.215 7.630 1.00 0.00 C ATOM 295 CD GLN A 21 -3.364 5.928 8.364 1.00 0.00 C ATOM 296 OE1 GLN A 21 -3.188 7.139 8.226 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.601 5.179 9.151 1.00 0.00 N ATOM 0 H GLN A 21 -5.893 3.617 9.169 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.444 6.166 10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.608 5.252 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.892 6.826 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.459 4.154 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.315 5.293 6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.783 4.179 9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.833 5.604 9.671 1.00 0.00 H new ATOM 306 N THR A 22 -8.622 5.794 9.174 1.00 0.00 N ATOM 307 CA THR A 22 -9.954 6.358 9.350 1.00 0.00 C ATOM 308 C THR A 22 -10.372 6.337 10.816 1.00 0.00 C ATOM 309 O THR A 22 -11.047 7.249 11.291 1.00 0.00 O ATOM 310 CB THR A 22 -11.002 5.593 8.519 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.945 4.195 8.825 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.768 5.801 7.030 1.00 0.00 C ATOM 0 H THR A 22 -8.595 4.942 8.614 1.00 0.00 H new ATOM 0 HA THR A 22 -9.908 7.390 9.003 1.00 0.00 H new ATOM 0 HB THR A 22 -11.989 5.980 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.181 3.790 8.364 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.520 5.252 6.463 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.841 6.863 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.775 5.438 6.763 1.00 0.00 H new ATOM 320 N GLU A 23 -9.964 5.291 11.528 1.00 0.00 N ATOM 321 CA GLU A 23 -10.297 5.153 12.941 1.00 0.00 C ATOM 322 C GLU A 23 -10.202 6.497 13.656 1.00 0.00 C ATOM 323 O GLU A 23 -9.312 7.300 13.377 1.00 0.00 O ATOM 324 CB GLU A 23 -9.366 4.140 13.610 1.00 0.00 C ATOM 325 CG GLU A 23 -9.999 3.416 14.787 1.00 0.00 C ATOM 326 CD GLU A 23 -11.018 2.380 14.354 1.00 0.00 C ATOM 327 OE1 GLU A 23 -11.527 2.487 13.219 1.00 0.00 O ATOM 328 OE2 GLU A 23 -11.307 1.462 15.150 1.00 0.00 O ATOM 0 H GLU A 23 -9.403 4.528 11.150 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.324 4.795 13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.050 3.405 12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.468 4.655 13.951 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.218 2.930 15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.481 4.144 15.440 1.00 0.00 H new ATOM 335 N GLY A 24 -11.127 6.736 14.580 1.00 0.00 N ATOM 336 CA GLY A 24 -11.131 7.984 15.321 1.00 0.00 C ATOM 337 C GLY A 24 -12.113 8.991 14.755 1.00 0.00 C ATOM 338 O GLY A 24 -12.816 9.671 15.503 1.00 0.00 O ATOM 0 H GLY A 24 -11.874 6.088 14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.381 7.784 16.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.129 8.413 15.310 1.00 0.00 H new ATOM 342 N TYR A 25 -12.161 9.088 13.431 1.00 0.00 N ATOM 343 CA TYR A 25 -13.060 10.023 12.765 1.00 0.00 C ATOM 344 C TYR A 25 -14.494 9.840 13.253 1.00 0.00 C ATOM 345 O TYR A 25 -14.838 8.808 13.830 1.00 0.00 O ATOM 346 CB TYR A 25 -12.997 9.831 11.249 1.00 0.00 C ATOM 347 CG TYR A 25 -11.920 10.654 10.579 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.590 10.254 10.615 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.233 11.830 9.909 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.602 11.003 10.005 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.252 12.585 9.295 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.938 12.167 9.346 1.00 0.00 C ATOM 353 OH TYR A 25 -8.958 12.915 8.736 1.00 0.00 O ATOM 0 H TYR A 25 -11.588 8.530 12.798 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.738 11.035 13.010 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.825 8.777 11.031 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.963 10.092 10.818 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.324 9.342 11.129 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.261 12.160 9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.573 10.679 10.044 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.512 13.497 8.778 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.504 12.370 8.060 1.00 0.00 H new ATOM 363 N GLN A 26 -15.326 10.849 13.016 1.00 0.00 N ATOM 364 CA GLN A 26 -16.723 10.800 13.431 1.00 0.00 C ATOM 365 C GLN A 26 -17.619 10.361 12.277 1.00 0.00 C ATOM 366 O GLN A 26 -17.361 10.689 11.118 1.00 0.00 O ATOM 367 CB GLN A 26 -17.171 12.168 13.948 1.00 0.00 C ATOM 368 CG GLN A 26 -17.112 13.265 12.898 1.00 0.00 C ATOM 369 CD GLN A 26 -17.478 14.627 13.454 1.00 0.00 C ATOM 370 OE1 GLN A 26 -18.653 14.991 13.514 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.471 15.388 13.867 1.00 0.00 N ATOM 0 H GLN A 26 -15.057 11.710 12.539 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.812 10.069 14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -18.192 12.089 14.322 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.543 12.451 14.793 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.107 13.307 12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.789 13.017 12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.512 15.046 13.799 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.656 16.314 14.252 1.00 0.00 H new ATOM 380 N HIS A 27 -18.672 9.618 12.602 1.00 0.00 N ATOM 381 CA HIS A 27 -19.606 9.134 11.592 1.00 0.00 C ATOM 382 C HIS A 27 -18.865 8.441 10.453 1.00 0.00 C ATOM 383 O HIS A 27 -19.260 8.538 9.291 1.00 0.00 O ATOM 384 CB HIS A 27 -20.441 10.291 11.042 1.00 0.00 C ATOM 385 CG HIS A 27 -21.278 10.972 12.081 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.506 10.495 12.489 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.057 12.099 12.797 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.005 11.300 13.410 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.145 12.281 13.616 1.00 0.00 N ATOM 0 H HIS A 27 -18.900 9.338 13.556 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.269 8.409 12.065 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.776 11.024 10.586 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -21.091 9.916 10.252 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.187 12.737 12.736 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -23.955 11.177 13.909 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.269 13.049 14.276 1.00 0.00 H new ATOM 398 N VAL A 28 -17.786 7.742 10.794 1.00 0.00 N ATOM 399 CA VAL A 28 -16.989 7.033 9.800 1.00 0.00 C ATOM 400 C VAL A 28 -16.802 5.570 10.189 1.00 0.00 C ATOM 401 O VAL A 28 -15.916 5.235 10.974 1.00 0.00 O ATOM 402 CB VAL A 28 -15.606 7.686 9.619 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.711 6.810 8.756 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.749 9.075 9.017 1.00 0.00 C ATOM 0 H VAL A 28 -17.444 7.652 11.751 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.534 7.089 8.858 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.139 7.786 10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.738 7.287 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.583 5.838 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.169 6.675 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.762 9.522 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.236 9.002 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.351 9.698 9.678 1.00 0.00 H new ATOM 414 N ASN A 29 -17.641 4.703 9.632 1.00 0.00 N ATOM 415 CA ASN A 29 -17.568 3.276 9.920 1.00 0.00 C ATOM 416 C ASN A 29 -17.101 2.497 8.694 1.00 0.00 C ATOM 417 O ASN A 29 -17.864 2.287 7.751 1.00 0.00 O ATOM 418 CB ASN A 29 -18.932 2.756 10.379 1.00 0.00 C ATOM 419 CG ASN A 29 -18.831 1.427 11.101 1.00 0.00 C ATOM 420 OD1 ASN A 29 -19.336 0.372 10.472 1.00 0.00 O flip ATOM 421 ND2 ASN A 29 -18.306 1.349 12.212 1.00 0.00 N flip ATOM 0 H ASN A 29 -18.379 4.964 8.979 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.843 3.129 10.720 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.395 3.490 11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.586 2.648 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.931 2.186 12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.246 0.448 12.686 1.00 0.00 H new ATOM 428 N VAL A 30 -15.843 2.069 8.716 1.00 0.00 N ATOM 429 CA VAL A 30 -15.273 1.312 7.608 1.00 0.00 C ATOM 430 C VAL A 30 -15.354 -0.188 7.869 1.00 0.00 C ATOM 431 O VAL A 30 -14.659 -0.718 8.737 1.00 0.00 O ATOM 432 CB VAL A 30 -13.804 1.700 7.358 1.00 0.00 C ATOM 433 CG1 VAL A 30 -13.211 0.857 6.240 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.693 3.183 7.036 1.00 0.00 C ATOM 0 H VAL A 30 -15.199 2.234 9.489 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.860 1.557 6.723 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.235 1.505 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.173 1.146 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.256 -0.197 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.779 1.017 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.648 3.440 6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.275 3.406 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.076 3.767 7.873 1.00 0.00 H new ATOM 444 N THR A 31 -16.207 -0.871 7.111 1.00 0.00 N ATOM 445 CA THR A 31 -16.380 -2.310 7.260 1.00 0.00 C ATOM 446 C THR A 31 -16.038 -3.042 5.967 1.00 0.00 C ATOM 447 O THR A 31 -15.482 -4.140 5.993 1.00 0.00 O ATOM 448 CB THR A 31 -17.822 -2.663 7.671 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.751 -2.057 6.766 1.00 0.00 O ATOM 450 CG2 THR A 31 -18.110 -2.198 9.090 1.00 0.00 C ATOM 0 H THR A 31 -16.789 -0.449 6.387 1.00 0.00 H new ATOM 0 HA THR A 31 -15.697 -2.630 8.047 1.00 0.00 H new ATOM 0 HB THR A 31 -17.933 -3.747 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.665 -2.287 7.033 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.134 -2.458 9.357 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.420 -2.685 9.779 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.983 -1.117 9.152 1.00 0.00 H new ATOM 458 N ASP A 32 -16.372 -2.426 4.838 1.00 0.00 N ATOM 459 CA ASP A 32 -16.098 -3.019 3.534 1.00 0.00 C ATOM 460 C ASP A 32 -15.228 -2.094 2.689 1.00 0.00 C ATOM 461 O ASP A 32 -14.803 -1.033 3.148 1.00 0.00 O ATOM 462 CB ASP A 32 -17.407 -3.318 2.802 1.00 0.00 C ATOM 463 CG ASP A 32 -18.201 -4.426 3.466 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.731 -5.583 3.454 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.293 -4.136 3.997 1.00 0.00 O ATOM 0 H ASP A 32 -16.833 -1.517 4.800 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.558 -3.952 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.013 -2.413 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.188 -3.599 1.772 1.00 0.00 H new ATOM 470 N LEU A 33 -14.967 -2.502 1.452 1.00 0.00 N ATOM 471 CA LEU A 33 -14.146 -1.711 0.542 1.00 0.00 C ATOM 472 C LEU A 33 -14.950 -1.279 -0.680 1.00 0.00 C ATOM 473 O LEU A 33 -14.389 -0.835 -1.682 1.00 0.00 O ATOM 474 CB LEU A 33 -12.920 -2.512 0.102 1.00 0.00 C ATOM 475 CG LEU A 33 -12.033 -3.052 1.225 1.00 0.00 C ATOM 476 CD1 LEU A 33 -11.185 -4.211 0.725 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.150 -1.946 1.785 1.00 0.00 C ATOM 0 H LEU A 33 -15.312 -3.376 1.056 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.817 -0.818 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.258 -3.353 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.310 -1.880 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.676 -3.418 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.561 -4.582 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.835 -5.012 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.551 -3.871 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.526 -2.348 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.515 -1.550 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.776 -1.147 2.182 1.00 0.00 H new ATOM 489 N THR A 34 -16.270 -1.410 -0.590 1.00 0.00 N ATOM 490 CA THR A 34 -17.152 -1.032 -1.687 1.00 0.00 C ATOM 491 C THR A 34 -18.102 0.085 -1.270 1.00 0.00 C ATOM 492 O THR A 34 -18.364 1.011 -2.037 1.00 0.00 O ATOM 493 CB THR A 34 -17.978 -2.234 -2.183 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.323 -3.080 -1.081 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.202 -3.034 -3.219 1.00 0.00 C ATOM 0 H THR A 34 -16.752 -1.775 0.232 1.00 0.00 H new ATOM 0 HA THR A 34 -16.514 -0.679 -2.497 1.00 0.00 H new ATOM 0 HB THR A 34 -18.888 -1.854 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.849 -3.841 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.806 -3.877 -3.554 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.966 -2.395 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.277 -3.403 -2.776 1.00 0.00 H new ATOM 503 N THR A 35 -18.616 -0.008 -0.047 1.00 0.00 N ATOM 504 CA THR A 35 -19.537 0.995 0.472 1.00 0.00 C ATOM 505 C THR A 35 -18.818 1.985 1.381 1.00 0.00 C ATOM 506 O THR A 35 -19.111 3.180 1.369 1.00 0.00 O ATOM 507 CB THR A 35 -20.693 0.343 1.255 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.171 -0.494 2.293 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.578 -0.478 0.330 1.00 0.00 C ATOM 0 H THR A 35 -18.410 -0.768 0.602 1.00 0.00 H new ATOM 0 HA THR A 35 -19.944 1.526 -0.389 1.00 0.00 H new ATOM 0 HB THR A 35 -21.296 1.136 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.912 -0.903 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.387 -0.928 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.997 0.169 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.985 -1.263 -0.138 1.00 0.00 H new ATOM 517 N SER A 36 -17.873 1.479 2.168 1.00 0.00 N ATOM 518 CA SER A 36 -17.113 2.320 3.086 1.00 0.00 C ATOM 519 C SER A 36 -16.527 3.526 2.359 1.00 0.00 C ATOM 520 O SER A 36 -16.382 4.603 2.938 1.00 0.00 O ATOM 521 CB SER A 36 -15.992 1.511 3.742 1.00 0.00 C ATOM 522 OG SER A 36 -16.513 0.410 4.466 1.00 0.00 O ATOM 0 H SER A 36 -17.616 0.492 2.188 1.00 0.00 H new ATOM 0 HA SER A 36 -17.793 2.679 3.859 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.302 1.154 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.420 2.153 4.412 1.00 0.00 H new ATOM 0 HG SER A 36 -17.406 0.633 4.803 1.00 0.00 H new ATOM 528 N TRP A 37 -16.192 3.338 1.088 1.00 0.00 N ATOM 529 CA TRP A 37 -15.622 4.410 0.281 1.00 0.00 C ATOM 530 C TRP A 37 -16.623 4.899 -0.760 1.00 0.00 C ATOM 531 O TRP A 37 -16.240 5.330 -1.848 1.00 0.00 O ATOM 532 CB TRP A 37 -14.343 3.932 -0.409 1.00 0.00 C ATOM 533 CG TRP A 37 -13.487 3.064 0.464 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.778 1.805 0.905 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.201 3.393 1.001 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.751 1.331 1.684 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.771 2.285 1.758 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.370 4.513 0.915 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.548 2.269 2.424 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.157 4.495 1.577 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.755 3.379 2.323 1.00 0.00 C ATOM 0 H TRP A 37 -16.305 2.453 0.594 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.380 5.241 0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.609 3.379 -1.310 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.764 4.799 -0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.683 1.262 0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.723 0.416 2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.670 5.377 0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.237 1.410 3.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.508 5.356 1.518 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.801 3.396 2.828 1.00 0.00 H new ATOM 552 N ARG A 38 -17.905 4.830 -0.420 1.00 0.00 N ATOM 553 CA ARG A 38 -18.961 5.266 -1.326 1.00 0.00 C ATOM 554 C ARG A 38 -19.215 6.764 -1.185 1.00 0.00 C ATOM 555 O ARG A 38 -19.472 7.455 -2.170 1.00 0.00 O ATOM 556 CB ARG A 38 -20.250 4.490 -1.052 1.00 0.00 C ATOM 557 CG ARG A 38 -20.977 4.942 0.205 1.00 0.00 C ATOM 558 CD ARG A 38 -22.048 3.945 0.618 1.00 0.00 C ATOM 559 NE ARG A 38 -23.232 4.029 -0.234 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.438 3.618 0.141 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.619 3.097 1.347 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.466 3.728 -0.690 1.00 0.00 N ATOM 0 H ARG A 38 -18.238 4.476 0.477 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.635 5.066 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -20.918 4.598 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.014 3.430 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.260 5.065 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.433 5.917 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -21.640 2.935 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.333 4.128 1.654 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.127 4.425 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.831 3.011 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -25.546 2.782 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.331 4.129 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.392 3.412 -0.401 1.00 0.00 H new ATOM 576 N SER A 39 -19.143 7.257 0.047 1.00 0.00 N ATOM 577 CA SER A 39 -19.370 8.672 0.318 1.00 0.00 C ATOM 578 C SER A 39 -18.103 9.484 0.064 1.00 0.00 C ATOM 579 O SER A 39 -18.139 10.521 -0.596 1.00 0.00 O ATOM 580 CB SER A 39 -19.834 8.868 1.763 1.00 0.00 C ATOM 581 OG SER A 39 -20.230 10.209 1.994 1.00 0.00 O ATOM 0 H SER A 39 -18.929 6.698 0.873 1.00 0.00 H new ATOM 0 HA SER A 39 -20.149 9.026 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.667 8.198 1.975 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.028 8.601 2.446 1.00 0.00 H new ATOM 0 HG SER A 39 -20.524 10.308 2.924 1.00 0.00 H new ATOM 587 N GLY A 40 -16.983 9.003 0.595 1.00 0.00 N ATOM 588 CA GLY A 40 -15.720 9.695 0.416 1.00 0.00 C ATOM 589 C GLY A 40 -14.985 9.908 1.724 1.00 0.00 C ATOM 590 O GLY A 40 -13.767 9.741 1.795 1.00 0.00 O ATOM 0 H GLY A 40 -16.928 8.146 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.088 9.122 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.902 10.660 -0.056 1.00 0.00 H new ATOM 594 N LEU A 41 -15.725 10.280 2.763 1.00 0.00 N ATOM 595 CA LEU A 41 -15.136 10.518 4.076 1.00 0.00 C ATOM 596 C LEU A 41 -13.971 9.566 4.331 1.00 0.00 C ATOM 597 O LEU A 41 -12.922 9.973 4.830 1.00 0.00 O ATOM 598 CB LEU A 41 -16.193 10.352 5.169 1.00 0.00 C ATOM 599 CG LEU A 41 -17.410 11.272 5.071 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.458 10.884 6.103 1.00 0.00 C ATOM 601 CD2 LEU A 41 -16.996 12.725 5.249 1.00 0.00 C ATOM 0 H LEU A 41 -16.734 10.423 2.721 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.758 11.540 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.541 9.319 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.716 10.515 6.135 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.848 11.159 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.317 11.550 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -18.777 9.856 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.032 10.967 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.875 13.365 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.533 12.854 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.283 12.998 4.471 1.00 0.00 H new ATOM 613 N ALA A 42 -14.162 8.298 3.983 1.00 0.00 N ATOM 614 CA ALA A 42 -13.127 7.290 4.170 1.00 0.00 C ATOM 615 C ALA A 42 -11.799 7.751 3.579 1.00 0.00 C ATOM 616 O ALA A 42 -10.803 7.883 4.291 1.00 0.00 O ATOM 617 CB ALA A 42 -13.555 5.971 3.544 1.00 0.00 C ATOM 0 H ALA A 42 -15.025 7.945 3.570 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.987 7.143 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.772 5.227 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.476 5.627 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.724 6.113 2.477 1.00 0.00 H new ATOM 623 N LEU A 43 -11.790 7.994 2.273 1.00 0.00 N ATOM 624 CA LEU A 43 -10.584 8.441 1.585 1.00 0.00 C ATOM 625 C LEU A 43 -10.116 9.788 2.125 1.00 0.00 C ATOM 626 O LEU A 43 -9.005 9.908 2.644 1.00 0.00 O ATOM 627 CB LEU A 43 -10.839 8.542 0.080 1.00 0.00 C ATOM 628 CG LEU A 43 -9.637 8.936 -0.779 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.502 7.939 -0.599 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.037 9.032 -2.244 1.00 0.00 C ATOM 0 H LEU A 43 -12.605 7.889 1.669 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.799 7.706 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.211 7.579 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.633 9.270 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.288 9.916 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.655 8.236 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.197 7.920 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.839 6.946 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.169 9.313 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.412 8.066 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.816 9.785 -2.360 1.00 0.00 H new ATOM 642 N CYS A 44 -10.970 10.798 2.002 1.00 0.00 N ATOM 643 CA CYS A 44 -10.645 12.137 2.480 1.00 0.00 C ATOM 644 C CYS A 44 -9.962 12.078 3.842 1.00 0.00 C ATOM 645 O CYS A 44 -8.962 12.756 4.077 1.00 0.00 O ATOM 646 CB CYS A 44 -11.911 12.991 2.567 1.00 0.00 C ATOM 647 SG CYS A 44 -12.691 13.320 0.969 1.00 0.00 S ATOM 0 H CYS A 44 -11.893 10.715 1.575 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.956 12.593 1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.631 12.490 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.664 13.941 3.041 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.471 14.355 1.072 1.00 0.00 H new ATOM 653 N ALA A 45 -10.510 11.263 4.738 1.00 0.00 N ATOM 654 CA ALA A 45 -9.954 11.115 6.077 1.00 0.00 C ATOM 655 C ALA A 45 -8.462 10.803 6.020 1.00 0.00 C ATOM 656 O ALA A 45 -7.659 11.442 6.702 1.00 0.00 O ATOM 657 CB ALA A 45 -10.694 10.025 6.838 1.00 0.00 C ATOM 0 H ALA A 45 -11.339 10.695 4.560 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.081 12.061 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.268 9.925 7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.749 10.289 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.596 9.079 6.306 1.00 0.00 H new ATOM 663 N ILE A 46 -8.098 9.819 5.205 1.00 0.00 N ATOM 664 CA ILE A 46 -6.703 9.425 5.060 1.00 0.00 C ATOM 665 C ILE A 46 -5.842 10.601 4.611 1.00 0.00 C ATOM 666 O ILE A 46 -4.775 10.851 5.170 1.00 0.00 O ATOM 667 CB ILE A 46 -6.545 8.273 4.050 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.284 7.027 4.544 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.073 7.966 3.821 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.475 5.974 3.476 1.00 0.00 C ATOM 0 H ILE A 46 -8.750 9.280 4.635 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.368 9.087 6.041 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.983 8.580 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.730 6.592 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.260 7.322 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.979 7.150 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.573 8.852 3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.611 7.676 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.006 5.120 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.055 6.391 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.502 5.650 3.106 1.00 0.00 H new ATOM 682 N ILE A 47 -6.315 11.320 3.598 1.00 0.00 N ATOM 683 CA ILE A 47 -5.591 12.472 3.076 1.00 0.00 C ATOM 684 C ILE A 47 -5.482 13.574 4.124 1.00 0.00 C ATOM 685 O ILE A 47 -4.384 13.934 4.550 1.00 0.00 O ATOM 686 CB ILE A 47 -6.271 13.041 1.817 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.373 11.965 0.735 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.503 14.248 1.300 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.381 12.288 -0.346 1.00 0.00 C ATOM 0 H ILE A 47 -7.196 11.125 3.123 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.592 12.124 2.813 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.279 13.361 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.393 11.827 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.643 11.017 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.996 14.639 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.478 15.020 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.484 13.951 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.400 11.481 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.370 12.397 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.101 13.219 -0.838 1.00 0.00 H new ATOM 701 N HIS A 48 -6.628 14.105 4.538 1.00 0.00 N ATOM 702 CA HIS A 48 -6.662 15.166 5.539 1.00 0.00 C ATOM 703 C HIS A 48 -5.731 14.843 6.703 1.00 0.00 C ATOM 704 O HIS A 48 -4.991 15.706 7.176 1.00 0.00 O ATOM 705 CB HIS A 48 -8.088 15.367 6.051 1.00 0.00 C ATOM 706 CG HIS A 48 -8.160 16.129 7.338 1.00 0.00 C ATOM 707 ND1 HIS A 48 -7.735 15.612 8.544 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.610 17.378 7.604 1.00 0.00 C ATOM 709 CE1 HIS A 48 -7.922 16.509 9.496 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.452 17.590 8.951 1.00 0.00 N ATOM 0 H HIS A 48 -7.545 13.818 4.196 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.320 16.088 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.666 15.895 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.557 14.393 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.018 18.078 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.683 16.381 10.541 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.703 18.443 9.450 1.00 0.00 H new ATOM 719 N ARG A 49 -5.774 13.596 7.161 1.00 0.00 N ATOM 720 CA ARG A 49 -4.936 13.161 8.272 1.00 0.00 C ATOM 721 C ARG A 49 -3.535 13.756 8.161 1.00 0.00 C ATOM 722 O ARG A 49 -3.104 14.521 9.024 1.00 0.00 O ATOM 723 CB ARG A 49 -4.852 11.634 8.307 1.00 0.00 C ATOM 724 CG ARG A 49 -3.892 11.101 9.359 1.00 0.00 C ATOM 725 CD ARG A 49 -4.464 11.246 10.760 1.00 0.00 C ATOM 726 NE ARG A 49 -4.462 12.636 11.211 1.00 0.00 N ATOM 727 CZ ARG A 49 -5.029 13.042 12.341 1.00 0.00 C ATOM 728 NH1 ARG A 49 -5.640 12.170 13.131 1.00 0.00 N ATOM 729 NH2 ARG A 49 -4.986 14.324 12.683 1.00 0.00 N ATOM 0 H ARG A 49 -6.380 12.869 6.780 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.390 13.515 9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.846 11.228 8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.541 11.273 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.678 10.051 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.945 11.637 9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.484 10.861 10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.882 10.639 11.454 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.000 13.332 10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.675 11.184 12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.075 12.485 13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.517 14.998 12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.422 14.635 13.551 1.00 0.00 H new ATOM 743 N PHE A 50 -2.828 13.398 7.094 1.00 0.00 N ATOM 744 CA PHE A 50 -1.475 13.895 6.871 1.00 0.00 C ATOM 745 C PHE A 50 -1.497 15.359 6.443 1.00 0.00 C ATOM 746 O PHE A 50 -0.761 16.185 6.982 1.00 0.00 O ATOM 747 CB PHE A 50 -0.769 13.051 5.808 1.00 0.00 C ATOM 748 CG PHE A 50 -0.541 11.627 6.226 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.559 10.691 6.129 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.691 11.223 6.716 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.352 9.380 6.513 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.903 9.913 7.101 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.120 8.990 7.000 1.00 0.00 C ATOM 0 H PHE A 50 -3.170 12.766 6.370 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.926 13.818 7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.363 13.062 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.191 13.509 5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.525 10.990 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.494 11.940 6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.153 8.661 6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.868 9.611 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.043 7.966 7.301 1.00 0.00 H new ATOM 763 N ARG A 51 -2.347 15.673 5.471 1.00 0.00 N ATOM 764 CA ARG A 51 -2.464 17.036 4.969 1.00 0.00 C ATOM 765 C ARG A 51 -3.899 17.541 5.094 1.00 0.00 C ATOM 766 O ARG A 51 -4.718 17.390 4.187 1.00 0.00 O ATOM 767 CB ARG A 51 -2.015 17.105 3.508 1.00 0.00 C ATOM 768 CG ARG A 51 -0.511 16.982 3.327 1.00 0.00 C ATOM 769 CD ARG A 51 0.189 18.313 3.558 1.00 0.00 C ATOM 770 NE ARG A 51 1.610 18.142 3.846 1.00 0.00 N ATOM 771 CZ ARG A 51 2.521 19.085 3.635 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.162 20.260 3.137 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.796 18.853 3.923 1.00 0.00 N ATOM 0 H ARG A 51 -2.965 15.001 5.015 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.818 17.674 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.506 16.309 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.348 18.050 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.120 16.238 4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.293 16.625 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.071 18.942 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.289 18.834 4.387 1.00 0.00 H new ATOM 0 HE ARG A 51 1.920 17.249 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.183 20.442 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.864 20.982 2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.076 17.950 4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.495 19.577 3.761 1.00 0.00 H new ATOM 787 N PRO A 52 -4.212 18.153 6.246 1.00 0.00 N ATOM 788 CA PRO A 52 -5.548 18.691 6.518 1.00 0.00 C ATOM 789 C PRO A 52 -5.863 19.917 5.667 1.00 0.00 C ATOM 790 O PRO A 52 -7.026 20.281 5.495 1.00 0.00 O ATOM 791 CB PRO A 52 -5.482 19.072 8.000 1.00 0.00 C ATOM 792 CG PRO A 52 -4.037 19.316 8.264 1.00 0.00 C ATOM 793 CD PRO A 52 -3.286 18.367 7.371 1.00 0.00 C ATOM 0 HA PRO A 52 -6.333 17.972 6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.078 19.961 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.871 18.273 8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.770 20.350 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.796 19.138 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.340 18.793 7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.053 17.433 7.883 1.00 0.00 H new ATOM 801 N GLU A 53 -4.820 20.549 5.138 1.00 0.00 N ATOM 802 CA GLU A 53 -4.988 21.734 4.305 1.00 0.00 C ATOM 803 C GLU A 53 -5.635 21.374 2.971 1.00 0.00 C ATOM 804 O GLU A 53 -6.520 22.080 2.487 1.00 0.00 O ATOM 805 CB GLU A 53 -3.637 22.410 4.063 1.00 0.00 C ATOM 806 CG GLU A 53 -2.619 21.509 3.384 1.00 0.00 C ATOM 807 CD GLU A 53 -1.189 21.900 3.704 1.00 0.00 C ATOM 808 OE1 GLU A 53 -0.877 23.107 3.646 1.00 0.00 O ATOM 809 OE2 GLU A 53 -0.382 20.998 4.013 1.00 0.00 O ATOM 0 H GLU A 53 -3.851 20.261 5.271 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.644 22.427 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.789 23.298 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.232 22.747 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.788 20.478 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.769 21.546 2.305 1.00 0.00 H new ATOM 816 N LEU A 54 -5.187 20.271 2.381 1.00 0.00 N ATOM 817 CA LEU A 54 -5.721 19.816 1.102 1.00 0.00 C ATOM 818 C LEU A 54 -7.222 19.563 1.198 1.00 0.00 C ATOM 819 O LEU A 54 -7.993 20.021 0.355 1.00 0.00 O ATOM 820 CB LEU A 54 -5.004 18.542 0.652 1.00 0.00 C ATOM 821 CG LEU A 54 -3.483 18.634 0.530 1.00 0.00 C ATOM 822 CD1 LEU A 54 -2.889 17.270 0.218 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.094 19.645 -0.539 1.00 0.00 C ATOM 0 H LEU A 54 -4.455 19.675 2.768 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.550 20.601 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.244 17.746 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.408 18.244 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.081 18.972 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.806 17.355 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.138 16.573 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.297 16.902 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.008 19.697 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.508 19.337 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.487 20.626 -0.272 1.00 0.00 H new ATOM 835 N ILE A 55 -7.628 18.832 2.230 1.00 0.00 N ATOM 836 CA ILE A 55 -9.037 18.522 2.438 1.00 0.00 C ATOM 837 C ILE A 55 -9.492 18.935 3.833 1.00 0.00 C ATOM 838 O ILE A 55 -8.767 18.757 4.811 1.00 0.00 O ATOM 839 CB ILE A 55 -9.317 17.020 2.243 1.00 0.00 C ATOM 840 CG1 ILE A 55 -8.899 16.578 0.839 1.00 0.00 C ATOM 841 CG2 ILE A 55 -10.789 16.719 2.483 1.00 0.00 C ATOM 842 CD1 ILE A 55 -8.967 15.082 0.630 1.00 0.00 C ATOM 0 H ILE A 55 -7.002 18.443 2.935 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.597 19.088 1.694 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.729 16.459 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.541 17.068 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.881 16.917 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.970 15.654 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.057 17.000 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.396 17.287 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.657 14.842 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.304 14.585 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.989 14.739 0.788 1.00 0.00 H new ATOM 854 N ASN A 56 -10.698 19.487 3.918 1.00 0.00 N ATOM 855 CA ASN A 56 -11.251 19.925 5.194 1.00 0.00 C ATOM 856 C ASN A 56 -12.528 19.159 5.526 1.00 0.00 C ATOM 857 O ASN A 56 -13.616 19.522 5.080 1.00 0.00 O ATOM 858 CB ASN A 56 -11.539 21.427 5.160 1.00 0.00 C ATOM 859 CG ASN A 56 -12.505 21.856 6.248 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.399 21.419 7.394 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.453 22.715 5.892 1.00 0.00 N ATOM 0 H ASN A 56 -11.311 19.642 3.118 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.514 19.720 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.604 21.976 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.951 21.693 4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.132 23.039 6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.502 23.050 4.930 1.00 0.00 H new ATOM 868 N PHE A 57 -12.387 18.096 6.312 1.00 0.00 N ATOM 869 CA PHE A 57 -13.528 17.278 6.703 1.00 0.00 C ATOM 870 C PHE A 57 -14.702 18.153 7.136 1.00 0.00 C ATOM 871 O PHE A 57 -15.818 18.002 6.639 1.00 0.00 O ATOM 872 CB PHE A 57 -13.138 16.331 7.840 1.00 0.00 C ATOM 873 CG PHE A 57 -14.047 15.142 7.968 1.00 0.00 C ATOM 874 CD1 PHE A 57 -13.818 13.994 7.227 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.132 15.173 8.831 1.00 0.00 C ATOM 876 CE1 PHE A 57 -14.653 12.899 7.344 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.969 14.081 8.952 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.731 12.943 8.206 1.00 0.00 C ATOM 0 H PHE A 57 -11.493 17.782 6.690 1.00 0.00 H new ATOM 0 HA PHE A 57 -13.835 16.690 5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.118 15.983 7.678 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.141 16.884 8.780 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.977 13.954 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.325 16.061 9.415 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.463 12.010 6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.809 14.117 9.630 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.387 12.090 8.297 1.00 0.00 H new ATOM 888 N ASP A 58 -14.440 19.066 8.064 1.00 0.00 N ATOM 889 CA ASP A 58 -15.473 19.966 8.564 1.00 0.00 C ATOM 890 C ASP A 58 -16.402 20.407 7.437 1.00 0.00 C ATOM 891 O ASP A 58 -17.579 20.688 7.663 1.00 0.00 O ATOM 892 CB ASP A 58 -14.837 21.189 9.226 1.00 0.00 C ATOM 893 CG ASP A 58 -15.790 21.898 10.168 1.00 0.00 C ATOM 894 OD1 ASP A 58 -17.017 21.720 10.017 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.308 22.630 11.058 1.00 0.00 O ATOM 0 H ASP A 58 -13.521 19.203 8.486 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.062 19.427 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.949 20.880 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.507 21.886 8.455 1.00 0.00 H new ATOM 900 N SER A 59 -15.864 20.466 6.223 1.00 0.00 N ATOM 901 CA SER A 59 -16.643 20.878 5.061 1.00 0.00 C ATOM 902 C SER A 59 -17.394 19.692 4.463 1.00 0.00 C ATOM 903 O SER A 59 -18.581 19.789 4.148 1.00 0.00 O ATOM 904 CB SER A 59 -15.730 21.503 4.004 1.00 0.00 C ATOM 905 OG SER A 59 -16.483 22.015 2.918 1.00 0.00 O ATOM 0 H SER A 59 -14.892 20.234 6.018 1.00 0.00 H new ATOM 0 HA SER A 59 -17.371 21.621 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.143 22.304 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.024 20.756 3.641 1.00 0.00 H new ATOM 0 HG SER A 59 -15.877 22.410 2.257 1.00 0.00 H new ATOM 911 N LEU A 60 -16.694 18.574 4.308 1.00 0.00 N ATOM 912 CA LEU A 60 -17.293 17.368 3.747 1.00 0.00 C ATOM 913 C LEU A 60 -18.601 17.029 4.455 1.00 0.00 C ATOM 914 O LEU A 60 -18.617 16.767 5.657 1.00 0.00 O ATOM 915 CB LEU A 60 -16.320 16.192 3.859 1.00 0.00 C ATOM 916 CG LEU A 60 -14.889 16.459 3.392 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.013 15.239 3.632 1.00 0.00 C ATOM 918 CD2 LEU A 60 -14.871 16.849 1.922 1.00 0.00 C ATOM 0 H LEU A 60 -15.711 18.477 4.563 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.509 17.555 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.287 15.871 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.720 15.359 3.281 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.487 17.290 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.998 15.448 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.000 15.004 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.413 14.389 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.844 17.035 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.292 16.040 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.464 17.752 1.778 1.00 0.00 H new ATOM 930 N ASN A 61 -19.695 17.036 3.701 1.00 0.00 N ATOM 931 CA ASN A 61 -21.008 16.728 4.257 1.00 0.00 C ATOM 932 C ASN A 61 -21.477 15.346 3.811 1.00 0.00 C ATOM 933 O ASN A 61 -21.635 15.089 2.618 1.00 0.00 O ATOM 934 CB ASN A 61 -22.026 17.787 3.830 1.00 0.00 C ATOM 935 CG ASN A 61 -23.427 17.221 3.696 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.797 16.278 4.396 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.213 17.796 2.794 1.00 0.00 N ATOM 0 H ASN A 61 -19.699 17.251 2.704 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.925 16.731 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.032 18.596 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.719 18.219 2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.166 17.459 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.864 18.575 2.236 1.00 0.00 H new ATOM 944 N GLU A 62 -21.698 14.462 4.779 1.00 0.00 N ATOM 945 CA GLU A 62 -22.149 13.106 4.485 1.00 0.00 C ATOM 946 C GLU A 62 -23.135 13.101 3.321 1.00 0.00 C ATOM 947 O GLU A 62 -22.978 12.343 2.364 1.00 0.00 O ATOM 948 CB GLU A 62 -22.799 12.482 5.722 1.00 0.00 C ATOM 949 CG GLU A 62 -23.082 10.996 5.576 1.00 0.00 C ATOM 950 CD GLU A 62 -23.166 10.285 6.912 1.00 0.00 C ATOM 951 OE1 GLU A 62 -23.990 10.698 7.755 1.00 0.00 O ATOM 952 OE2 GLU A 62 -22.407 9.314 7.115 1.00 0.00 O ATOM 0 H GLU A 62 -21.572 14.660 5.772 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.278 12.514 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.147 12.636 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.733 13.002 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.019 10.860 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.298 10.538 4.973 1.00 0.00 H new ATOM 959 N ASP A 63 -24.152 13.951 3.411 1.00 0.00 N ATOM 960 CA ASP A 63 -25.165 14.046 2.366 1.00 0.00 C ATOM 961 C ASP A 63 -24.535 14.439 1.033 1.00 0.00 C ATOM 962 O ASP A 63 -24.946 13.959 -0.024 1.00 0.00 O ATOM 963 CB ASP A 63 -26.238 15.064 2.757 1.00 0.00 C ATOM 964 CG ASP A 63 -26.855 15.746 1.552 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.225 15.036 0.593 1.00 0.00 O ATOM 966 OD2 ASP A 63 -26.969 16.989 1.568 1.00 0.00 O ATOM 0 H ASP A 63 -24.297 14.584 4.197 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.629 13.066 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -27.020 14.562 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.799 15.817 3.412 1.00 0.00 H new ATOM 971 N ASP A 64 -23.537 15.314 1.091 1.00 0.00 N ATOM 972 CA ASP A 64 -22.851 15.771 -0.111 1.00 0.00 C ATOM 973 C ASP A 64 -21.829 14.739 -0.579 1.00 0.00 C ATOM 974 O ASP A 64 -20.675 15.071 -0.846 1.00 0.00 O ATOM 975 CB ASP A 64 -22.159 17.110 0.149 1.00 0.00 C ATOM 976 CG ASP A 64 -23.072 18.293 -0.106 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.966 18.177 -0.971 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.894 19.334 0.559 1.00 0.00 O ATOM 0 H ASP A 64 -23.185 15.721 1.958 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.595 15.902 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.809 17.141 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.278 17.190 -0.488 1.00 0.00 H new ATOM 983 N ALA A 65 -22.263 13.487 -0.676 1.00 0.00 N ATOM 984 CA ALA A 65 -21.387 12.407 -1.113 1.00 0.00 C ATOM 985 C ALA A 65 -20.704 12.753 -2.432 1.00 0.00 C ATOM 986 O ALA A 65 -19.478 12.843 -2.503 1.00 0.00 O ATOM 987 CB ALA A 65 -22.173 11.111 -1.248 1.00 0.00 C ATOM 0 H ALA A 65 -23.216 13.195 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.613 12.273 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.506 10.313 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.609 10.848 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.968 11.243 -1.982 1.00 0.00 H new ATOM 993 N VAL A 66 -21.505 12.946 -3.475 1.00 0.00 N ATOM 994 CA VAL A 66 -20.978 13.283 -4.792 1.00 0.00 C ATOM 995 C VAL A 66 -19.779 14.218 -4.681 1.00 0.00 C ATOM 996 O VAL A 66 -18.682 13.892 -5.133 1.00 0.00 O ATOM 997 CB VAL A 66 -22.052 13.945 -5.674 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.473 14.321 -7.029 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.252 13.024 -5.834 1.00 0.00 C ATOM 0 H VAL A 66 -22.522 12.875 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.664 12.348 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.388 14.859 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.247 14.788 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.649 15.021 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.108 13.425 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -24.001 13.508 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.935 12.092 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.680 12.811 -4.855 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.997 15.382 -4.076 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.934 16.365 -3.906 1.00 0.00 C ATOM 1011 C GLU A 67 -17.762 15.770 -3.131 1.00 0.00 C ATOM 1012 O GLU A 67 -16.613 15.850 -3.564 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.464 17.602 -3.180 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.600 18.297 -3.912 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.749 19.752 -3.511 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -21.119 20.011 -2.346 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.496 20.631 -4.361 1.00 0.00 O ATOM 0 H GLU A 67 -20.900 15.667 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.582 16.657 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.807 17.311 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.646 18.309 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.426 18.236 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.533 17.771 -3.710 1.00 0.00 H new ATOM 1024 N ASN A 68 -18.062 15.174 -1.981 1.00 0.00 N ATOM 1025 CA ASN A 68 -17.033 14.567 -1.144 1.00 0.00 C ATOM 1026 C ASN A 68 -16.060 13.748 -1.986 1.00 0.00 C ATOM 1027 O ASN A 68 -14.853 13.984 -1.964 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.675 13.678 -0.077 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.362 14.483 1.009 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.885 15.547 1.405 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.490 13.978 1.496 1.00 0.00 N ATOM 0 H ASN A 68 -19.008 15.099 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.477 15.367 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.401 13.015 -0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.910 13.045 0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.997 14.475 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.849 13.093 1.138 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.595 12.783 -2.729 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.774 11.929 -3.578 1.00 0.00 C ATOM 1040 C ASN A 69 -14.992 12.759 -4.591 1.00 0.00 C ATOM 1041 O ASN A 69 -13.761 12.736 -4.609 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.649 10.907 -4.307 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.238 9.874 -3.366 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.510 9.139 -2.699 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.563 9.814 -3.308 1.00 0.00 N ATOM 0 H ASN A 69 -17.593 12.574 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.064 11.402 -2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.456 11.427 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.055 10.403 -5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.016 9.139 -2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.127 10.443 -3.879 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.715 13.491 -5.432 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.088 14.329 -6.448 1.00 0.00 C ATOM 1054 C GLN A 70 -13.866 15.046 -5.884 1.00 0.00 C ATOM 1055 O GLN A 70 -12.825 15.129 -6.538 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.091 15.351 -6.986 1.00 0.00 C ATOM 1057 CG GLN A 70 -17.020 14.790 -8.050 1.00 0.00 C ATOM 1058 CD GLN A 70 -16.424 14.862 -9.442 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.691 15.797 -10.198 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -15.610 13.871 -9.790 1.00 0.00 N ATOM 0 H GLN A 70 -16.735 13.521 -5.430 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.763 13.685 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.689 15.732 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.546 16.198 -7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.254 13.752 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.961 15.341 -8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.416 13.116 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.179 13.866 -10.715 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.999 15.564 -4.668 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.905 16.275 -4.016 1.00 0.00 C ATOM 1071 C LEU A 71 -11.671 15.386 -3.898 1.00 0.00 C ATOM 1072 O LEU A 71 -10.618 15.692 -4.457 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.337 16.753 -2.628 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.296 17.546 -1.837 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.919 18.819 -2.579 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.819 17.872 -0.446 1.00 0.00 C ATOM 0 H LEU A 71 -14.853 15.505 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.650 17.140 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.228 17.371 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.625 15.882 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.401 16.932 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.177 19.371 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.503 18.563 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.806 19.437 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.065 18.437 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.729 18.467 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.038 16.946 0.086 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.809 14.283 -3.170 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.707 13.347 -2.983 1.00 0.00 C ATOM 1090 C ALA A 72 -10.056 12.993 -4.315 1.00 0.00 C ATOM 1091 O ALA A 72 -8.831 12.994 -4.439 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.196 12.089 -2.281 1.00 0.00 C ATOM 0 H ALA A 72 -12.674 14.015 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.955 13.829 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.363 11.399 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.608 12.353 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.969 11.613 -2.884 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.883 12.689 -5.310 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.388 12.330 -6.634 1.00 0.00 C ATOM 1100 C PHE A 73 -9.598 13.482 -7.250 1.00 0.00 C ATOM 1101 O PHE A 73 -8.499 13.288 -7.768 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.551 11.947 -7.551 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.323 10.751 -7.072 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.666 9.658 -6.529 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.705 10.718 -7.166 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.373 8.556 -6.087 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.417 9.619 -6.726 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.750 8.536 -6.187 1.00 0.00 C ATOM 0 H PHE A 73 -11.899 12.684 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.723 11.473 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.229 12.796 -7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.164 11.744 -8.550 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.589 9.668 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -14.232 11.561 -7.588 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.849 7.712 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.494 9.607 -6.803 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.305 7.675 -5.844 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.168 14.681 -7.188 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.518 15.865 -7.739 1.00 0.00 C ATOM 1120 C ASP A 74 -8.162 16.097 -7.080 1.00 0.00 C ATOM 1121 O ASP A 74 -7.164 16.343 -7.757 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.408 17.095 -7.551 1.00 0.00 C ATOM 1123 CG ASP A 74 -10.122 18.178 -8.573 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -8.975 18.244 -9.061 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -11.045 18.960 -8.883 1.00 0.00 O ATOM 0 H ASP A 74 -11.078 14.859 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.360 15.700 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.454 16.798 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.260 17.497 -6.549 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.134 16.018 -5.753 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.900 16.219 -5.001 1.00 0.00 C ATOM 1132 C VAL A 75 -5.866 15.154 -5.347 1.00 0.00 C ATOM 1133 O VAL A 75 -4.668 15.430 -5.395 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.158 16.194 -3.483 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.846 16.275 -2.717 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.089 17.329 -3.083 1.00 0.00 C ATOM 0 H VAL A 75 -8.951 15.816 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.515 17.200 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.642 15.251 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.048 16.256 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.217 15.426 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.332 17.201 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.261 17.297 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.635 18.283 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.039 17.221 -3.606 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.338 13.935 -5.589 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.454 12.828 -5.934 1.00 0.00 C ATOM 1148 C ALA A 76 -4.771 13.069 -7.276 1.00 0.00 C ATOM 1149 O ALA A 76 -3.610 12.706 -7.465 1.00 0.00 O ATOM 1150 CB ALA A 76 -6.231 11.521 -5.961 1.00 0.00 C ATOM 0 H ALA A 76 -7.327 13.689 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.680 12.761 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.559 10.703 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.666 11.336 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.026 11.586 -6.704 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.499 13.681 -8.204 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.962 13.967 -9.529 1.00 0.00 C ATOM 1158 C GLU A 77 -4.345 15.362 -9.576 1.00 0.00 C ATOM 1159 O GLU A 77 -3.648 15.712 -10.529 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.063 13.849 -10.586 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.539 13.533 -11.977 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.835 14.715 -12.617 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -5.355 15.845 -12.509 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.765 14.508 -13.227 1.00 0.00 O ATOM 0 H GLU A 77 -6.461 13.988 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.182 13.236 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.763 13.069 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.623 14.783 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.849 12.691 -11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.369 13.221 -12.612 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.607 16.154 -8.542 1.00 0.00 N ATOM 1172 CA ARG A 78 -4.079 17.511 -8.465 1.00 0.00 C ATOM 1173 C ARG A 78 -2.753 17.536 -7.711 1.00 0.00 C ATOM 1174 O ARG A 78 -1.860 18.320 -8.033 1.00 0.00 O ATOM 1175 CB ARG A 78 -5.086 18.435 -7.779 1.00 0.00 C ATOM 1176 CG ARG A 78 -4.529 19.812 -7.458 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.591 20.714 -6.847 1.00 0.00 C ATOM 1178 NE ARG A 78 -5.813 20.418 -5.434 1.00 0.00 N ATOM 1179 CZ ARG A 78 -6.323 21.291 -4.572 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -6.660 22.508 -4.977 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -6.495 20.948 -3.302 1.00 0.00 N ATOM 0 H ARG A 78 -5.182 15.879 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.906 17.865 -9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.960 18.547 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.426 17.966 -6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.691 19.715 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.141 20.270 -8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.289 21.756 -6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.526 20.595 -7.394 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.563 19.491 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.528 22.776 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.051 23.176 -4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.236 20.013 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.887 21.619 -2.641 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.633 16.675 -6.706 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.416 16.600 -5.905 1.00 0.00 C ATOM 1197 C GLU A 79 -0.574 15.392 -6.306 1.00 0.00 C ATOM 1198 O GLU A 79 0.603 15.525 -6.639 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.762 16.524 -4.417 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.143 17.865 -3.811 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.945 18.770 -3.598 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.302 19.148 -4.599 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.651 19.100 -2.430 1.00 0.00 O ATOM 0 H GLU A 79 -3.363 16.020 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.834 17.503 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.587 15.825 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.908 16.119 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.859 18.364 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.643 17.699 -2.857 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.187 14.213 -6.269 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.495 12.980 -6.626 1.00 0.00 C ATOM 1212 C PHE A 80 -0.561 12.736 -8.130 1.00 0.00 C ATOM 1213 O PHE A 80 0.285 12.045 -8.696 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.105 11.793 -5.877 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.242 12.023 -4.399 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.150 12.413 -3.641 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.463 11.849 -3.768 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.273 12.624 -2.281 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.593 12.059 -2.408 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.496 12.448 -1.664 1.00 0.00 C ATOM 0 H PHE A 80 -2.161 14.086 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 80 0.551 13.083 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.088 11.576 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.486 10.912 -6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.808 12.554 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.324 11.546 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.586 12.926 -1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.550 11.919 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.595 12.614 -0.601 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.575 13.307 -8.773 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.734 13.140 -10.206 1.00 0.00 C ATOM 1232 C GLY A 81 -2.219 11.752 -10.577 1.00 0.00 C ATOM 1233 O GLY A 81 -1.867 11.226 -11.633 1.00 0.00 O ATOM 0 H GLY A 81 -2.289 13.882 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.442 13.881 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.781 13.333 -10.699 1.00 0.00 H new ATOM 1237 N ILE A 82 -3.028 11.157 -9.706 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.561 9.822 -9.948 1.00 0.00 C ATOM 1239 C ILE A 82 -4.961 9.890 -10.549 1.00 0.00 C ATOM 1240 O ILE A 82 -5.879 10.481 -9.980 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.610 8.993 -8.651 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.205 8.838 -8.065 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.232 7.630 -8.918 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.191 8.214 -6.687 1.00 0.00 C ATOM 0 H ILE A 82 -3.328 11.578 -8.827 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.889 9.336 -10.655 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.230 9.518 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.605 8.226 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.730 9.818 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.260 7.055 -7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.246 7.761 -9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.636 7.097 -9.658 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.163 8.135 -6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.764 8.837 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.636 7.220 -6.733 1.00 0.00 H new ATOM 1256 N PRO A 83 -5.130 9.269 -11.725 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.416 9.242 -12.428 1.00 0.00 C ATOM 1258 C PRO A 83 -7.450 8.379 -11.713 1.00 0.00 C ATOM 1259 O PRO A 83 -7.254 7.182 -11.500 1.00 0.00 O ATOM 1260 CB PRO A 83 -6.064 8.636 -13.789 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.841 7.824 -13.537 1.00 0.00 C ATOM 1262 CD PRO A 83 -4.079 8.545 -12.460 1.00 0.00 C ATOM 0 HA PRO A 83 -6.867 10.233 -12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.878 8.019 -14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.878 9.412 -14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.102 6.814 -13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.242 7.730 -14.443 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.542 7.850 -11.814 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.339 9.227 -12.879 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.577 8.998 -11.333 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.665 8.304 -10.636 1.00 0.00 C ATOM 1272 C PRO A 84 -10.395 7.317 -11.540 1.00 0.00 C ATOM 1273 O PRO A 84 -10.767 7.648 -12.666 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.601 9.441 -10.219 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.336 10.530 -11.201 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.878 10.422 -11.554 1.00 0.00 C ATOM 0 HA PRO A 84 -9.299 7.707 -9.801 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.644 9.126 -10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.396 9.769 -9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.961 10.418 -12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.563 11.506 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.692 10.716 -12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.263 11.065 -10.924 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.599 6.102 -11.040 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.287 5.067 -11.802 1.00 0.00 C ATOM 1286 C VAL A 85 -12.741 5.447 -12.058 1.00 0.00 C ATOM 1287 O VAL A 85 -13.298 5.143 -13.113 1.00 0.00 O ATOM 1288 CB VAL A 85 -11.243 3.711 -11.072 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.809 3.222 -10.940 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.907 3.818 -9.708 1.00 0.00 C ATOM 0 H VAL A 85 -10.297 5.811 -10.110 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.766 4.976 -12.755 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.797 2.982 -11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.798 2.263 -10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.372 3.104 -11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.228 3.948 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.867 2.851 -9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.384 4.561 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.947 4.119 -9.832 1.00 0.00 H new ATOM 1300 N THR A 86 -13.352 6.115 -11.084 1.00 0.00 N ATOM 1301 CA THR A 86 -14.742 6.537 -11.203 1.00 0.00 C ATOM 1302 C THR A 86 -14.933 7.954 -10.675 1.00 0.00 C ATOM 1303 O THR A 86 -14.133 8.445 -9.878 1.00 0.00 O ATOM 1304 CB THR A 86 -15.685 5.586 -10.442 1.00 0.00 C ATOM 1305 OG1 THR A 86 -17.048 5.963 -10.669 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.388 5.609 -8.951 1.00 0.00 C ATOM 0 H THR A 86 -12.906 6.375 -10.204 1.00 0.00 H new ATOM 0 HA THR A 86 -14.991 6.511 -12.264 1.00 0.00 H new ATOM 0 HB THR A 86 -15.522 4.574 -10.813 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.641 5.353 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.066 4.930 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.359 5.293 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.526 6.620 -8.568 1.00 0.00 H new ATOM 1314 N THR A 87 -16.000 8.609 -11.123 1.00 0.00 N ATOM 1315 CA THR A 87 -16.296 9.971 -10.696 1.00 0.00 C ATOM 1316 C THR A 87 -17.282 9.980 -9.533 1.00 0.00 C ATOM 1317 O THR A 87 -18.200 9.163 -9.478 1.00 0.00 O ATOM 1318 CB THR A 87 -16.876 10.809 -11.851 1.00 0.00 C ATOM 1319 OG1 THR A 87 -17.965 10.111 -12.465 1.00 0.00 O ATOM 1320 CG2 THR A 87 -15.807 11.107 -12.892 1.00 0.00 C ATOM 0 H THR A 87 -16.674 8.218 -11.782 1.00 0.00 H new ATOM 0 HA THR A 87 -15.353 10.413 -10.374 1.00 0.00 H new ATOM 0 HB THR A 87 -17.236 11.753 -11.441 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.329 10.652 -13.197 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.239 11.700 -13.698 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.993 11.664 -12.428 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.422 10.171 -13.296 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.085 10.910 -8.603 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.966 11.008 -7.454 1.00 0.00 C ATOM 1330 C GLY A 88 -19.403 10.664 -7.793 1.00 0.00 C ATOM 1331 O GLY A 88 -20.057 9.912 -7.070 1.00 0.00 O ATOM 0 H GLY A 88 -16.331 11.597 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.611 10.339 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.923 12.021 -7.053 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.897 11.216 -8.896 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.266 10.965 -9.330 1.00 0.00 C ATOM 1337 C LYS A 89 -21.506 9.473 -9.537 1.00 0.00 C ATOM 1338 O LYS A 89 -22.307 8.861 -8.831 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.558 11.723 -10.627 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.730 13.220 -10.430 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.571 13.835 -11.537 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.055 13.769 -11.211 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.892 13.732 -12.442 1.00 0.00 N ATOM 0 H LYS A 89 -19.369 11.840 -9.506 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.939 11.319 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.745 11.549 -11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.463 11.318 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.202 13.409 -9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.751 13.700 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.276 14.874 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.380 13.312 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.255 12.883 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.333 14.634 -10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.897 13.687 -12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.720 14.590 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.645 12.893 -13.005 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.806 8.894 -10.507 1.00 0.00 N ATOM 1358 CA GLU A 90 -20.944 7.473 -10.804 1.00 0.00 C ATOM 1359 C GLU A 90 -20.736 6.632 -9.549 1.00 0.00 C ATOM 1360 O GLU A 90 -21.378 5.598 -9.368 1.00 0.00 O ATOM 1361 CB GLU A 90 -19.942 7.055 -11.883 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.369 7.437 -13.291 1.00 0.00 C ATOM 1363 CD GLU A 90 -19.828 6.487 -14.342 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -18.726 5.938 -14.133 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -20.505 6.294 -15.373 1.00 0.00 O ATOM 0 H GLU A 90 -20.138 9.386 -11.100 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.956 7.302 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -18.977 7.514 -11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.799 5.975 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.458 7.451 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.026 8.448 -13.509 1.00 0.00 H new ATOM 1372 N MET A 91 -19.832 7.083 -8.684 1.00 0.00 N ATOM 1373 CA MET A 91 -19.540 6.372 -7.445 1.00 0.00 C ATOM 1374 C MET A 91 -20.809 6.164 -6.625 1.00 0.00 C ATOM 1375 O MET A 91 -21.177 5.033 -6.310 1.00 0.00 O ATOM 1376 CB MET A 91 -18.507 7.144 -6.621 1.00 0.00 C ATOM 1377 CG MET A 91 -17.715 6.268 -5.664 1.00 0.00 C ATOM 1378 SD MET A 91 -18.713 4.954 -4.938 1.00 0.00 S ATOM 1379 CE MET A 91 -17.511 3.630 -4.840 1.00 0.00 C ATOM 0 H MET A 91 -19.290 7.937 -8.819 1.00 0.00 H new ATOM 0 HA MET A 91 -19.132 5.395 -7.703 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.816 7.646 -7.298 1.00 0.00 H new ATOM 0 HB3 MET A 91 -19.016 7.922 -6.052 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.871 5.827 -6.195 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.302 6.887 -4.868 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.717 3.015 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.573 3.015 -5.738 1.00 0.00 H new ATOM 0 HE3 MET A 91 -16.510 4.053 -4.759 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.473 7.263 -6.281 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.701 7.200 -5.499 1.00 0.00 C ATOM 1391 C ALA A 92 -23.808 6.490 -6.272 1.00 0.00 C ATOM 1392 O ALA A 92 -24.602 5.746 -5.696 1.00 0.00 O ATOM 1393 CB ALA A 92 -23.146 8.599 -5.102 1.00 0.00 C ATOM 0 H ALA A 92 -21.181 8.207 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.498 6.625 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -24.064 8.537 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.367 9.072 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.326 9.192 -5.999 1.00 0.00 H new ATOM 1399 N SER A 93 -23.856 6.727 -7.579 1.00 0.00 N ATOM 1400 CA SER A 93 -24.869 6.114 -8.430 1.00 0.00 C ATOM 1401 C SER A 93 -24.772 4.592 -8.381 1.00 0.00 C ATOM 1402 O SER A 93 -25.722 3.910 -7.998 1.00 0.00 O ATOM 1403 CB SER A 93 -24.716 6.599 -9.873 1.00 0.00 C ATOM 1404 OG SER A 93 -25.941 6.500 -10.577 1.00 0.00 O ATOM 0 H SER A 93 -23.205 7.339 -8.072 1.00 0.00 H new ATOM 0 HA SER A 93 -25.849 6.411 -8.056 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.373 7.634 -9.878 1.00 0.00 H new ATOM 0 HB3 SER A 93 -23.953 6.008 -10.380 1.00 0.00 H new ATOM 0 HG SER A 93 -25.817 6.818 -11.496 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.615 4.066 -8.771 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.391 2.626 -8.770 1.00 0.00 C ATOM 1412 C ALA A 94 -23.758 2.015 -7.422 1.00 0.00 C ATOM 1413 O ALA A 94 -23.103 2.275 -6.414 1.00 0.00 O ATOM 1414 CB ALA A 94 -21.942 2.317 -9.115 1.00 0.00 C ATOM 0 H ALA A 94 -22.818 4.616 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.036 2.182 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.789 1.238 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -21.711 2.712 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.286 2.779 -8.378 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.810 1.202 -7.413 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.264 0.555 -6.188 1.00 0.00 C ATOM 1422 C GLN A 95 -24.148 -0.278 -5.566 1.00 0.00 C ATOM 1423 O GLN A 95 -23.771 -0.065 -4.415 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.479 -0.330 -6.474 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.643 0.419 -7.101 1.00 0.00 C ATOM 1426 CD GLN A 95 -28.529 1.090 -6.070 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.761 0.549 -4.988 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -29.030 2.274 -6.400 1.00 0.00 N ATOM 0 H GLN A 95 -25.363 0.976 -8.240 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.549 1.333 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.179 -1.141 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.812 -0.788 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.257 1.172 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -28.241 -0.275 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -28.812 2.685 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -29.633 2.773 -5.746 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.625 -1.227 -6.337 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.553 -2.093 -5.860 1.00 0.00 C ATOM 1439 C GLU A 96 -21.333 -2.001 -6.772 1.00 0.00 C ATOM 1440 O GLU A 96 -21.259 -2.645 -7.818 1.00 0.00 O ATOM 1441 CB GLU A 96 -23.035 -3.543 -5.779 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.125 -4.442 -4.960 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.305 -5.911 -5.291 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.234 -6.262 -6.488 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.518 -6.709 -4.355 1.00 0.00 O ATOM 0 H GLU A 96 -23.926 -1.415 -7.293 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.266 -1.757 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -24.035 -3.561 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.118 -3.946 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.087 -4.158 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.324 -4.285 -3.900 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.353 -1.179 -6.367 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.118 -0.983 -7.132 1.00 0.00 C ATOM 1454 C PRO A 97 -18.223 -2.218 -7.117 1.00 0.00 C ATOM 1455 O PRO A 97 -18.420 -3.128 -6.312 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.435 0.182 -6.411 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.962 0.126 -5.019 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.374 -0.380 -5.131 1.00 0.00 C ATOM 0 HA PRO A 97 -19.318 -0.791 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.350 0.077 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.671 1.134 -6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.358 -0.537 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.936 1.111 -4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.654 -0.983 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.091 0.439 -5.194 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.240 -2.241 -8.010 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.314 -3.364 -8.098 1.00 0.00 C ATOM 1468 C ASP A 98 -15.309 -3.330 -6.951 1.00 0.00 C ATOM 1469 O ASP A 98 -14.864 -2.262 -6.531 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.578 -3.342 -9.438 1.00 0.00 C ATOM 1471 CG ASP A 98 -15.215 -4.732 -9.922 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -14.254 -5.317 -9.381 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -15.892 -5.236 -10.843 1.00 0.00 O ATOM 0 H ASP A 98 -17.064 -1.495 -8.683 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.891 -4.286 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -16.203 -2.852 -10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.671 -2.746 -9.341 1.00 0.00 H new ATOM 1478 N LYS A 99 -14.956 -4.508 -6.446 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.003 -4.614 -5.347 1.00 0.00 C ATOM 1480 C LYS A 99 -12.569 -4.573 -5.864 1.00 0.00 C ATOM 1481 O LYS A 99 -11.691 -3.970 -5.244 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.237 -5.909 -4.566 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.978 -7.166 -5.379 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.269 -8.421 -4.574 1.00 0.00 C ATOM 1485 CE LYS A 99 -15.744 -8.787 -4.625 1.00 0.00 C ATOM 1486 NZ LYS A 99 -16.159 -9.229 -5.985 1.00 0.00 N ATOM 0 H LYS A 99 -15.315 -5.402 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.156 -3.763 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.591 -5.915 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.266 -5.925 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.599 -7.155 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.940 -7.178 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.674 -9.249 -4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.967 -8.268 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.946 -9.582 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.342 -7.927 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.031 -9.792 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.332 -8.396 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.405 -9.808 -6.407 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.337 -5.215 -7.004 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.008 -5.250 -7.606 1.00 0.00 C ATOM 1502 C LEU A 100 -10.534 -3.844 -7.960 1.00 0.00 C ATOM 1503 O LEU A 100 -9.416 -3.452 -7.625 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.017 -6.128 -8.858 1.00 0.00 C ATOM 1505 CG LEU A 100 -9.707 -6.846 -9.184 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -8.650 -5.849 -9.632 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -9.219 -7.639 -7.980 1.00 0.00 C ATOM 0 H LEU A 100 -13.051 -5.718 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.317 -5.674 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.801 -6.877 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.290 -5.507 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.890 -7.543 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.724 -6.378 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.998 -5.326 -10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.469 -5.128 -8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.286 -8.143 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.052 -6.962 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.969 -8.380 -7.704 1.00 0.00 H new ATOM 1519 N SER A 101 -11.392 -3.089 -8.639 1.00 0.00 N ATOM 1520 CA SER A 101 -11.061 -1.727 -9.040 1.00 0.00 C ATOM 1521 C SER A 101 -10.830 -0.842 -7.819 1.00 0.00 C ATOM 1522 O SER A 101 -9.904 -0.031 -7.793 1.00 0.00 O ATOM 1523 CB SER A 101 -12.179 -1.141 -9.905 1.00 0.00 C ATOM 1524 OG SER A 101 -12.002 -1.484 -11.268 1.00 0.00 O ATOM 0 H SER A 101 -12.322 -3.398 -8.923 1.00 0.00 H new ATOM 0 HA SER A 101 -10.140 -1.760 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.144 -1.509 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.195 -0.056 -9.799 1.00 0.00 H new ATOM 0 HG SER A 101 -12.730 -1.099 -11.799 1.00 0.00 H new ATOM 1530 N MET A 102 -11.678 -1.004 -6.809 1.00 0.00 N ATOM 1531 CA MET A 102 -11.567 -0.221 -5.584 1.00 0.00 C ATOM 1532 C MET A 102 -10.257 -0.524 -4.863 1.00 0.00 C ATOM 1533 O MET A 102 -9.539 0.386 -4.449 1.00 0.00 O ATOM 1534 CB MET A 102 -12.751 -0.509 -4.660 1.00 0.00 C ATOM 1535 CG MET A 102 -13.914 0.453 -4.845 1.00 0.00 C ATOM 1536 SD MET A 102 -13.848 1.849 -3.706 1.00 0.00 S ATOM 1537 CE MET A 102 -13.041 3.080 -4.727 1.00 0.00 C ATOM 0 H MET A 102 -12.450 -1.671 -6.815 1.00 0.00 H new ATOM 0 HA MET A 102 -11.576 0.835 -5.854 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.100 -1.526 -4.836 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.413 -0.463 -3.625 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.914 0.825 -5.870 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.851 -0.084 -4.701 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.178 4.067 -4.284 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.976 2.857 -4.793 1.00 0.00 H new ATOM 0 HE3 MET A 102 -13.477 3.067 -5.726 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.953 -1.810 -4.715 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.729 -2.233 -4.043 1.00 0.00 C ATOM 1549 C VAL A 103 -7.494 -1.763 -4.804 1.00 0.00 C ATOM 1550 O VAL A 103 -6.655 -1.045 -4.261 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.673 -3.765 -3.892 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.370 -4.189 -3.233 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.870 -4.265 -3.097 1.00 0.00 C ATOM 0 H VAL A 103 -10.537 -2.576 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.737 -1.777 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.712 -4.213 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.348 -5.274 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.529 -3.863 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.297 -3.734 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.815 -5.349 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.864 -3.811 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.790 -3.994 -3.615 1.00 0.00 H new ATOM 1563 N MET A 104 -7.391 -2.171 -6.064 1.00 0.00 N ATOM 1564 CA MET A 104 -6.259 -1.790 -6.901 1.00 0.00 C ATOM 1565 C MET A 104 -6.053 -0.279 -6.881 1.00 0.00 C ATOM 1566 O MET A 104 -4.921 0.203 -6.854 1.00 0.00 O ATOM 1567 CB MET A 104 -6.475 -2.269 -8.337 1.00 0.00 C ATOM 1568 CG MET A 104 -7.589 -1.531 -9.063 1.00 0.00 C ATOM 1569 SD MET A 104 -7.838 -2.131 -10.745 1.00 0.00 S ATOM 1570 CE MET A 104 -8.186 -0.598 -11.603 1.00 0.00 C ATOM 0 H MET A 104 -8.078 -2.766 -6.528 1.00 0.00 H new ATOM 0 HA MET A 104 -5.365 -2.266 -6.499 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.547 -2.148 -8.895 1.00 0.00 H new ATOM 0 HB3 MET A 104 -6.704 -3.335 -8.325 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.517 -1.639 -8.502 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.356 -0.467 -9.092 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.363 -0.804 -12.659 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.072 -0.132 -11.171 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.336 0.076 -11.502 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.155 0.464 -6.896 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.095 1.921 -6.883 1.00 0.00 C ATOM 1582 C TYR A 105 -6.636 2.435 -5.522 1.00 0.00 C ATOM 1583 O TYR A 105 -5.716 3.249 -5.430 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.462 2.512 -7.229 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.482 4.023 -7.247 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.017 4.730 -8.350 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.964 4.745 -6.162 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -8.032 6.112 -8.370 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.984 6.126 -6.175 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.517 6.805 -7.281 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.534 8.181 -7.297 1.00 0.00 O ATOM 0 H TYR A 105 -8.100 0.081 -6.917 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.370 2.236 -7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.772 2.141 -8.206 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.196 2.156 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.638 4.191 -9.205 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.329 4.217 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.666 6.646 -9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.363 6.671 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.907 8.513 -6.454 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.283 1.953 -4.466 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.943 2.363 -3.108 1.00 0.00 C ATOM 1603 C LEU A 106 -5.474 2.083 -2.807 1.00 0.00 C ATOM 1604 O LEU A 106 -4.775 2.923 -2.240 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.830 1.633 -2.097 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.304 2.037 -2.085 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -10.147 0.957 -1.424 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.487 3.369 -1.372 1.00 0.00 C ATOM 0 H LEU A 106 -8.046 1.278 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.114 3.436 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.769 0.563 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.421 1.796 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.638 2.151 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.194 1.261 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.041 0.023 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.812 0.811 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.543 3.640 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.136 3.283 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.914 4.139 -1.888 1.00 0.00 H new ATOM 1620 N SER A 107 -5.011 0.899 -3.193 1.00 0.00 N ATOM 1621 CA SER A 107 -3.625 0.508 -2.963 1.00 0.00 C ATOM 1622 C SER A 107 -2.680 1.675 -3.232 1.00 0.00 C ATOM 1623 O SER A 107 -1.781 1.957 -2.439 1.00 0.00 O ATOM 1624 CB SER A 107 -3.254 -0.680 -3.854 1.00 0.00 C ATOM 1625 OG SER A 107 -2.154 -1.395 -3.317 1.00 0.00 O ATOM 0 H SER A 107 -5.575 0.193 -3.667 1.00 0.00 H new ATOM 0 HA SER A 107 -3.524 0.215 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.111 -1.346 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.008 -0.325 -4.855 1.00 0.00 H new ATOM 0 HG SER A 107 -1.937 -2.150 -3.903 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.889 2.350 -4.358 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.058 3.487 -4.733 1.00 0.00 C ATOM 1633 C LYS A 108 -1.807 4.398 -3.535 1.00 0.00 C ATOM 1634 O LYS A 108 -0.662 4.715 -3.213 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.723 4.281 -5.860 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.950 3.470 -7.124 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.002 4.359 -8.355 1.00 0.00 C ATOM 1638 CE LYS A 108 -2.915 3.543 -9.636 1.00 0.00 C ATOM 1639 NZ LYS A 108 -2.674 4.404 -10.827 1.00 0.00 N ATOM 0 H LYS A 108 -3.627 2.129 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.099 3.104 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.681 4.664 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.103 5.145 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.150 2.738 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.883 2.912 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.928 4.934 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.181 5.076 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.111 2.813 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.840 2.983 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.621 3.811 -11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.454 5.085 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.778 4.919 -10.708 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.885 4.813 -2.878 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.782 5.687 -1.715 1.00 0.00 C ATOM 1655 C PHE A 109 -2.109 4.965 -0.551 1.00 0.00 C ATOM 1656 O PHE A 109 -1.147 5.466 0.032 1.00 0.00 O ATOM 1657 CB PHE A 109 -4.169 6.176 -1.293 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.874 6.969 -2.357 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.342 8.163 -2.817 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -6.068 6.520 -2.896 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.988 8.894 -3.795 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.718 7.246 -3.876 1.00 0.00 C ATOM 1663 CZ PHE A 109 -6.178 8.436 -4.325 1.00 0.00 C ATOM 0 H PHE A 109 -3.840 4.558 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 109 -2.170 6.546 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.783 5.316 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.072 6.790 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.412 8.526 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.496 5.592 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.563 9.823 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.647 6.884 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.686 9.007 -5.089 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.623 3.786 -0.218 1.00 0.00 N ATOM 1674 CA TYR A 110 -2.075 2.996 0.878 1.00 0.00 C ATOM 1675 C TYR A 110 -0.550 2.972 0.824 1.00 0.00 C ATOM 1676 O TYR A 110 0.122 3.365 1.777 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.620 1.568 0.828 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.720 0.552 1.493 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.814 0.298 2.856 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.774 -0.154 0.759 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.993 -0.629 3.468 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.050 -1.084 1.363 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.063 -1.318 2.718 1.00 0.00 C ATOM 1684 OH TYR A 110 0.757 -2.242 3.323 1.00 0.00 O ATOM 0 H TYR A 110 -3.418 3.357 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.380 3.462 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.598 1.544 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.770 1.282 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.541 0.835 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.682 0.028 -0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.079 -0.813 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.779 -1.625 0.778 1.00 0.00 H new ATOM 0 HH TYR A 110 1.353 -2.638 2.654 1.00 0.00 H new ATOM 1694 N GLU A 111 -0.012 2.509 -0.300 1.00 0.00 N ATOM 1695 CA GLU A 111 1.433 2.433 -0.480 1.00 0.00 C ATOM 1696 C GLU A 111 2.055 3.827 -0.480 1.00 0.00 C ATOM 1697 O GLU A 111 3.042 4.079 0.213 1.00 0.00 O ATOM 1698 CB GLU A 111 1.770 1.713 -1.787 1.00 0.00 C ATOM 1699 CG GLU A 111 1.713 0.198 -1.679 1.00 0.00 C ATOM 1700 CD GLU A 111 2.586 -0.493 -2.709 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.517 -0.111 -3.896 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.336 -1.416 -2.328 1.00 0.00 O ATOM 0 H GLU A 111 -0.555 2.181 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 111 1.848 1.868 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.076 2.040 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.769 2.009 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.028 -0.104 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.682 -0.133 -1.801 1.00 0.00 H new ATOM 1709 N LEU A 112 1.471 4.729 -1.262 1.00 0.00 N ATOM 1710 CA LEU A 112 1.967 6.098 -1.353 1.00 0.00 C ATOM 1711 C LEU A 112 2.262 6.664 0.032 1.00 0.00 C ATOM 1712 O LEU A 112 3.329 7.230 0.269 1.00 0.00 O ATOM 1713 CB LEU A 112 0.948 6.983 -2.073 1.00 0.00 C ATOM 1714 CG LEU A 112 1.350 8.445 -2.270 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.572 8.546 -3.169 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.192 9.243 -2.849 1.00 0.00 C ATOM 0 H LEU A 112 0.654 4.537 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 112 2.895 6.085 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.746 6.548 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.013 6.956 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 112 1.604 8.866 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.843 9.594 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.404 8.009 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.346 8.108 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.496 10.281 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.094 8.822 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.657 9.199 -2.167 1.00 0.00 H new ATOM 1728 N PHE A 113 1.309 6.505 0.945 1.00 0.00 N ATOM 1729 CA PHE A 113 1.466 7.000 2.308 1.00 0.00 C ATOM 1730 C PHE A 113 2.376 6.081 3.118 1.00 0.00 C ATOM 1731 O PHE A 113 3.266 6.543 3.832 1.00 0.00 O ATOM 1732 CB PHE A 113 0.103 7.117 2.991 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.786 8.162 2.379 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.439 9.502 2.431 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.969 7.804 1.753 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.256 10.466 1.869 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.790 8.762 1.189 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.432 10.095 1.246 1.00 0.00 C ATOM 0 H PHE A 113 0.420 6.037 0.766 1.00 0.00 H new ATOM 0 HA PHE A 113 1.926 7.987 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.401 6.151 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.252 7.350 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.480 9.797 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.253 6.763 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.975 11.508 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.710 8.469 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.070 10.846 0.804 1.00 0.00 H new ATOM 1748 N ARG A 114 2.146 4.777 3.002 1.00 0.00 N ATOM 1749 CA ARG A 114 2.942 3.793 3.724 1.00 0.00 C ATOM 1750 C ARG A 114 4.420 4.172 3.708 1.00 0.00 C ATOM 1751 O ARG A 114 5.092 4.136 4.738 1.00 0.00 O ATOM 1752 CB ARG A 114 2.755 2.404 3.111 1.00 0.00 C ATOM 1753 CG ARG A 114 3.248 1.274 4.000 1.00 0.00 C ATOM 1754 CD ARG A 114 2.217 0.905 5.055 1.00 0.00 C ATOM 1755 NE ARG A 114 2.498 -0.392 5.665 1.00 0.00 N ATOM 1756 CZ ARG A 114 1.591 -1.109 6.319 1.00 0.00 C ATOM 1757 NH1 ARG A 114 0.351 -0.657 6.446 1.00 0.00 N ATOM 1758 NH2 ARG A 114 1.923 -2.280 6.846 1.00 0.00 N ATOM 0 H ARG A 114 1.414 4.378 2.414 1.00 0.00 H new ATOM 0 HA ARG A 114 2.600 3.775 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.698 2.251 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.283 2.362 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.473 0.400 3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.177 1.571 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.199 1.673 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.226 0.885 4.602 1.00 0.00 H new ATOM 0 HE ARG A 114 3.443 -0.768 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.092 0.243 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.344 -1.209 6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.876 -2.631 6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.226 -2.829 7.348 1.00 0.00 H new