USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 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 56 ASN :FLIP amide:sc= 0.526 F(o=-0.59!,f=1.1) USER MOD Set 1.2: A 59 SER OG : rot 86:sc= 0.591 USER MOD Set 2.1: A 25 TYR OH : rot -149:sc= 0.442 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.365 K(o=0.077,f=-4.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= -0.46 (180deg=-2.15!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 18 CYS SG : rot -129:sc= 0.107 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 20 GLN : amide:sc= -0.0346 K(o=-0.035,f=-1.7!) USER MOD Single : A 21 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.4) USER MOD Single : A 22 THR OG1 : rot -69:sc= 0.692 USER MOD Single : A 26 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.71) USER MOD Single : A 27 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 29 ASN : amide:sc= -2.21 K(o=-2.2,f=-3.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -68:sc= 1.07 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 36 SER OG : rot -24:sc= -1.5 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 74:sc= -0.755 USER MOD Single : A 61 ASN :FLIP amide:sc= -5.13! C(o=-7.4!,f=-5.1!) USER MOD Single : A 68 ASN : amide:sc= -5.4! C(o=-5.4!,f=-16!) USER MOD Single : A 69 ASN : amide:sc= -5.57! C(o=-5.6!,f=-7.6!) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 162:sc= -0.421 (180deg=-1.45) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0504 K(o=-0.05,f=-0.93) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -169:sc= -0.284 (180deg=-0.868) USER MOD Single : A 104 MET CE :methyl -130:sc= -0.573 (180deg=-1.62!) 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+ -130:sc= -0.0456 (180deg=-1.57!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -6.796 -8.133 2.153 1.00 0.00 N ATOM 136 CA SER A 12 -6.948 -8.309 3.593 1.00 0.00 C ATOM 137 C SER A 12 -6.056 -7.336 4.357 1.00 0.00 C ATOM 138 O SER A 12 -6.531 -6.558 5.185 1.00 0.00 O ATOM 139 CB SER A 12 -6.610 -9.748 3.991 1.00 0.00 C ATOM 140 OG SER A 12 -6.161 -9.813 5.333 1.00 0.00 O ATOM 0 HA SER A 12 -7.987 -8.102 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.490 -10.379 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.840 -10.141 3.327 1.00 0.00 H new ATOM 0 HG SER A 12 -5.953 -10.742 5.564 1.00 0.00 H new ATOM 146 N LYS A 13 -4.759 -7.384 4.072 1.00 0.00 N ATOM 147 CA LYS A 13 -3.798 -6.507 4.730 1.00 0.00 C ATOM 148 C LYS A 13 -4.130 -5.041 4.467 1.00 0.00 C ATOM 149 O LYS A 13 -4.126 -4.219 5.384 1.00 0.00 O ATOM 150 CB LYS A 13 -2.380 -6.814 4.243 1.00 0.00 C ATOM 151 CG LYS A 13 -1.725 -7.974 4.973 1.00 0.00 C ATOM 152 CD LYS A 13 -0.725 -8.697 4.086 1.00 0.00 C ATOM 153 CE LYS A 13 0.595 -7.946 4.007 1.00 0.00 C ATOM 154 NZ LYS A 13 0.480 -6.707 3.188 1.00 0.00 N ATOM 0 H LYS A 13 -4.349 -8.021 3.389 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.855 -6.688 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.411 -7.038 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.762 -5.924 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.221 -7.605 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.491 -8.675 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.551 -9.700 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.141 -8.811 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.926 -7.687 5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.357 -8.596 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.355 -6.569 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.325 -6.796 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.329 -5.890 3.814 1.00 0.00 H new ATOM 168 N LEU A 14 -4.419 -4.721 3.211 1.00 0.00 N ATOM 169 CA LEU A 14 -4.756 -3.355 2.827 1.00 0.00 C ATOM 170 C LEU A 14 -5.801 -2.766 3.770 1.00 0.00 C ATOM 171 O LEU A 14 -5.544 -1.778 4.459 1.00 0.00 O ATOM 172 CB LEU A 14 -5.274 -3.320 1.388 1.00 0.00 C ATOM 173 CG LEU A 14 -5.624 -1.939 0.834 1.00 0.00 C ATOM 174 CD1 LEU A 14 -4.361 -1.143 0.546 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.473 -2.069 -0.423 1.00 0.00 C ATOM 0 H LEU A 14 -4.427 -5.389 2.440 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.851 -2.752 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.520 -3.769 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.162 -3.949 1.327 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.203 -1.403 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.630 -0.163 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.791 -1.020 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.755 -1.675 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.713 -1.076 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.919 -2.624 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.395 -2.599 -0.186 1.00 0.00 H new ATOM 187 N LEU A 15 -6.978 -3.381 3.798 1.00 0.00 N ATOM 188 CA LEU A 15 -8.062 -2.919 4.658 1.00 0.00 C ATOM 189 C LEU A 15 -7.529 -2.484 6.019 1.00 0.00 C ATOM 190 O LEU A 15 -7.819 -1.384 6.490 1.00 0.00 O ATOM 191 CB LEU A 15 -9.104 -4.025 4.836 1.00 0.00 C ATOM 192 CG LEU A 15 -10.286 -3.693 5.747 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.306 -2.839 5.009 1.00 0.00 C ATOM 194 CD2 LEU A 15 -10.933 -4.968 6.267 1.00 0.00 C ATOM 0 H LEU A 15 -7.206 -4.201 3.235 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.531 -2.059 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.492 -4.292 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.603 -4.908 5.232 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.914 -3.124 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.140 -2.613 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.837 -1.910 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.673 -3.382 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.772 -4.712 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.290 -5.563 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.200 -5.543 6.834 1.00 0.00 H new ATOM 206 N THR A 16 -6.745 -3.355 6.648 1.00 0.00 N ATOM 207 CA THR A 16 -6.170 -3.061 7.955 1.00 0.00 C ATOM 208 C THR A 16 -5.622 -1.639 8.007 1.00 0.00 C ATOM 209 O THR A 16 -6.035 -0.836 8.843 1.00 0.00 O ATOM 210 CB THR A 16 -5.041 -4.047 8.306 1.00 0.00 C ATOM 211 OG1 THR A 16 -5.482 -5.393 8.095 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.601 -3.874 9.752 1.00 0.00 C ATOM 0 H THR A 16 -6.494 -4.270 6.273 1.00 0.00 H new ATOM 0 HA THR A 16 -6.973 -3.165 8.685 1.00 0.00 H new ATOM 0 HB THR A 16 -4.191 -3.837 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.757 -6.014 8.319 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.803 -4.581 9.977 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.238 -2.857 9.903 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.447 -4.059 10.414 1.00 0.00 H new ATOM 220 N TRP A 17 -4.692 -1.335 7.109 1.00 0.00 N ATOM 221 CA TRP A 17 -4.088 -0.009 7.053 1.00 0.00 C ATOM 222 C TRP A 17 -5.159 1.077 7.052 1.00 0.00 C ATOM 223 O TRP A 17 -5.218 1.903 7.964 1.00 0.00 O ATOM 224 CB TRP A 17 -3.211 0.122 5.807 1.00 0.00 C ATOM 225 CG TRP A 17 -2.509 1.443 5.711 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.387 1.827 6.389 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.885 2.555 4.892 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.043 3.110 6.040 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.945 3.579 5.122 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.922 2.785 3.984 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.015 4.812 4.478 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.990 4.009 3.346 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.041 5.009 3.595 1.00 0.00 C ATOM 0 H TRP A 17 -4.340 -1.989 6.410 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.468 0.119 7.940 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.469 -0.676 5.808 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.829 -0.018 4.920 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.849 1.212 7.096 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.245 3.630 6.405 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.657 2.020 3.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.285 5.585 4.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.788 4.198 2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.121 5.955 3.079 1.00 0.00 H new ATOM 244 N CYS A 18 -6.002 1.069 6.026 1.00 0.00 N ATOM 245 CA CYS A 18 -7.071 2.055 5.908 1.00 0.00 C ATOM 246 C CYS A 18 -7.820 2.206 7.227 1.00 0.00 C ATOM 247 O CYS A 18 -7.999 3.316 7.726 1.00 0.00 O ATOM 248 CB CYS A 18 -8.043 1.652 4.798 1.00 0.00 C ATOM 249 SG CYS A 18 -7.283 1.521 3.162 1.00 0.00 S ATOM 0 H CYS A 18 -5.967 0.392 5.264 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.621 3.015 5.656 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.494 0.694 5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.851 2.383 4.754 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.976 2.210 2.305 1.00 0.00 H new ATOM 255 N GLN A 19 -8.257 1.081 7.785 1.00 0.00 N ATOM 256 CA GLN A 19 -8.990 1.089 9.046 1.00 0.00 C ATOM 257 C GLN A 19 -8.209 1.832 10.125 1.00 0.00 C ATOM 258 O GLN A 19 -8.769 2.643 10.862 1.00 0.00 O ATOM 259 CB GLN A 19 -9.278 -0.342 9.502 1.00 0.00 C ATOM 260 CG GLN A 19 -10.584 -0.901 8.962 1.00 0.00 C ATOM 261 CD GLN A 19 -10.910 -2.270 9.525 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.261 -2.740 10.460 1.00 0.00 O ATOM 263 NE2 GLN A 19 -11.920 -2.919 8.958 1.00 0.00 N ATOM 0 H GLN A 19 -8.116 0.154 7.384 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.935 1.608 8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.458 -0.987 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.304 -0.369 10.591 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.395 -0.212 9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.526 -0.964 7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.431 -2.492 8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.185 -3.844 9.295 1.00 0.00 H new ATOM 272 N GLN A 20 -6.913 1.548 10.211 1.00 0.00 N ATOM 273 CA GLN A 20 -6.056 2.189 11.201 1.00 0.00 C ATOM 274 C GLN A 20 -5.981 3.694 10.964 1.00 0.00 C ATOM 275 O GLN A 20 -6.278 4.487 11.857 1.00 0.00 O ATOM 276 CB GLN A 20 -4.652 1.583 11.160 1.00 0.00 C ATOM 277 CG GLN A 20 -4.599 0.138 11.626 1.00 0.00 C ATOM 278 CD GLN A 20 -4.626 0.010 13.137 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.342 0.968 13.857 1.00 0.00 O ATOM 280 NE2 GLN A 20 -4.969 -1.176 13.625 1.00 0.00 N ATOM 0 H GLN A 20 -6.434 0.879 9.608 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.490 2.017 12.186 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.270 1.642 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.989 2.182 11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.443 -0.407 11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.693 -0.331 11.242 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.196 -1.942 12.991 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.005 -1.321 14.634 1.00 0.00 H new ATOM 289 N GLN A 21 -5.581 4.078 9.756 1.00 0.00 N ATOM 290 CA GLN A 21 -5.466 5.488 9.403 1.00 0.00 C ATOM 291 C GLN A 21 -6.728 6.251 9.790 1.00 0.00 C ATOM 292 O GLN A 21 -6.659 7.346 10.351 1.00 0.00 O ATOM 293 CB GLN A 21 -5.204 5.640 7.904 1.00 0.00 C ATOM 294 CG GLN A 21 -3.934 4.948 7.435 1.00 0.00 C ATOM 295 CD GLN A 21 -2.700 5.428 8.173 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.189 6.516 7.909 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.215 4.617 9.106 1.00 0.00 N ATOM 0 H GLN A 21 -5.331 3.433 9.006 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.626 5.908 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.053 5.236 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.141 6.701 7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.039 3.872 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.804 5.121 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.671 3.724 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.387 4.887 9.636 1.00 0.00 H new ATOM 306 N THR A 22 -7.884 5.667 9.488 1.00 0.00 N ATOM 307 CA THR A 22 -9.162 6.292 9.803 1.00 0.00 C ATOM 308 C THR A 22 -9.689 5.816 11.151 1.00 0.00 C ATOM 309 O THR A 22 -10.893 5.634 11.328 1.00 0.00 O ATOM 310 CB THR A 22 -10.215 5.994 8.719 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.458 4.585 8.645 1.00 0.00 O ATOM 312 CG2 THR A 22 -9.754 6.506 7.362 1.00 0.00 C ATOM 0 H THR A 22 -7.961 4.761 9.025 1.00 0.00 H new ATOM 0 HA THR A 22 -8.987 7.367 9.843 1.00 0.00 H new ATOM 0 HB THR A 22 -11.138 6.507 8.990 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.669 4.136 8.276 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.514 6.284 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.598 7.584 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.819 6.017 7.087 1.00 0.00 H new ATOM 320 N GLU A 23 -8.780 5.617 12.101 1.00 0.00 N ATOM 321 CA GLU A 23 -9.155 5.161 13.434 1.00 0.00 C ATOM 322 C GLU A 23 -9.403 6.346 14.364 1.00 0.00 C ATOM 323 O GLU A 23 -8.499 7.136 14.634 1.00 0.00 O ATOM 324 CB GLU A 23 -8.063 4.261 14.016 1.00 0.00 C ATOM 325 CG GLU A 23 -8.510 3.475 15.237 1.00 0.00 C ATOM 326 CD GLU A 23 -7.677 2.228 15.465 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.892 1.232 14.744 1.00 0.00 O ATOM 328 OE2 GLU A 23 -6.810 2.249 16.364 1.00 0.00 O ATOM 0 H GLU A 23 -7.779 5.765 11.972 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.079 4.589 13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.730 3.564 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.203 4.874 14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.449 4.114 16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.556 3.192 15.120 1.00 0.00 H new ATOM 335 N GLY A 24 -10.635 6.462 14.850 1.00 0.00 N ATOM 336 CA GLY A 24 -10.980 7.553 15.743 1.00 0.00 C ATOM 337 C GLY A 24 -11.969 8.519 15.122 1.00 0.00 C ATOM 338 O GLY A 24 -12.947 8.912 15.760 1.00 0.00 O ATOM 0 H GLY A 24 -11.400 5.820 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.402 7.147 16.662 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.074 8.093 16.019 1.00 0.00 H new ATOM 342 N TYR A 25 -11.715 8.905 13.877 1.00 0.00 N ATOM 343 CA TYR A 25 -12.589 9.835 13.172 1.00 0.00 C ATOM 344 C TYR A 25 -14.050 9.598 13.542 1.00 0.00 C ATOM 345 O TYR A 25 -14.452 8.472 13.834 1.00 0.00 O ATOM 346 CB TYR A 25 -12.405 9.694 11.660 1.00 0.00 C ATOM 347 CG TYR A 25 -11.264 10.518 11.109 1.00 0.00 C ATOM 348 CD1 TYR A 25 -9.957 10.297 11.526 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.492 11.517 10.171 1.00 0.00 C ATOM 350 CE1 TYR A 25 -8.911 11.049 11.025 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.452 12.273 9.664 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.164 12.035 10.095 1.00 0.00 C ATOM 353 OH TYR A 25 -8.125 12.785 9.593 1.00 0.00 O ATOM 0 H TYR A 25 -10.911 8.588 13.335 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.317 10.847 13.472 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.233 8.645 11.420 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.328 9.988 11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.755 9.525 12.254 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.500 11.706 9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.901 10.865 11.360 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.647 13.045 8.935 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.447 13.684 9.374 1.00 0.00 H new ATOM 363 N GLN A 26 -14.839 10.667 13.526 1.00 0.00 N ATOM 364 CA GLN A 26 -16.255 10.576 13.860 1.00 0.00 C ATOM 365 C GLN A 26 -17.091 10.295 12.615 1.00 0.00 C ATOM 366 O GLN A 26 -16.761 10.747 11.518 1.00 0.00 O ATOM 367 CB GLN A 26 -16.728 11.869 14.526 1.00 0.00 C ATOM 368 CG GLN A 26 -16.890 13.029 13.556 1.00 0.00 C ATOM 369 CD GLN A 26 -15.626 13.854 13.417 1.00 0.00 C ATOM 370 OE1 GLN A 26 -14.875 13.703 12.452 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.384 14.734 14.381 1.00 0.00 N ATOM 0 H GLN A 26 -14.522 11.606 13.285 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.386 9.748 14.557 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.681 11.685 15.022 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.015 12.151 15.301 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.176 12.642 12.578 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.703 13.671 13.896 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.033 14.826 15.162 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.549 15.318 14.340 1.00 0.00 H new ATOM 380 N HIS A 27 -18.175 9.547 12.793 1.00 0.00 N ATOM 381 CA HIS A 27 -19.059 9.206 11.684 1.00 0.00 C ATOM 382 C HIS A 27 -18.279 8.546 10.551 1.00 0.00 C ATOM 383 O HIS A 27 -18.621 8.697 9.378 1.00 0.00 O ATOM 384 CB HIS A 27 -19.770 10.457 11.167 1.00 0.00 C ATOM 385 CG HIS A 27 -20.805 10.989 12.110 1.00 0.00 C ATOM 386 ND1 HIS A 27 -21.996 11.541 11.686 1.00 0.00 N ATOM 387 CD2 HIS A 27 -20.824 11.050 13.462 1.00 0.00 C ATOM 388 CE1 HIS A 27 -22.702 11.920 12.737 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.013 11.633 13.827 1.00 0.00 N ATOM 0 H HIS A 27 -18.462 9.165 13.694 1.00 0.00 H new ATOM 0 HA HIS A 27 -19.804 8.499 12.050 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.029 11.234 10.977 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.243 10.228 10.212 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.049 10.705 14.130 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -23.676 12.385 12.709 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.315 11.815 14.784 1.00 0.00 H new ATOM 398 N VAL A 28 -17.228 7.815 10.909 1.00 0.00 N ATOM 399 CA VAL A 28 -16.400 7.132 9.923 1.00 0.00 C ATOM 400 C VAL A 28 -16.232 5.657 10.273 1.00 0.00 C ATOM 401 O VAL A 28 -15.333 5.286 11.026 1.00 0.00 O ATOM 402 CB VAL A 28 -15.008 7.783 9.811 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.087 6.929 8.953 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.123 9.191 9.248 1.00 0.00 C ATOM 0 H VAL A 28 -16.930 7.681 11.875 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.912 7.219 8.965 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.575 7.850 10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.109 7.404 8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.981 5.942 9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.511 6.827 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.131 9.636 9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -15.576 9.151 8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.745 9.797 9.907 1.00 0.00 H new ATOM 414 N ASN A 29 -17.105 4.821 9.719 1.00 0.00 N ATOM 415 CA ASN A 29 -17.054 3.386 9.973 1.00 0.00 C ATOM 416 C ASN A 29 -16.578 2.631 8.735 1.00 0.00 C ATOM 417 O ASN A 29 -17.276 2.574 7.723 1.00 0.00 O ATOM 418 CB ASN A 29 -18.431 2.872 10.398 1.00 0.00 C ATOM 419 CG ASN A 29 -18.644 1.416 10.032 1.00 0.00 C ATOM 420 OD1 ASN A 29 -18.992 1.095 8.895 1.00 0.00 O ATOM 421 ND2 ASN A 29 -18.436 0.527 10.996 1.00 0.00 N ATOM 0 H ASN A 29 -17.855 5.112 9.092 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.343 3.211 10.780 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.544 2.993 11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.204 3.479 9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.564 -0.468 10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.148 0.839 11.924 1.00 0.00 H new ATOM 428 N VAL A 30 -15.384 2.053 8.824 1.00 0.00 N ATOM 429 CA VAL A 30 -14.814 1.301 7.713 1.00 0.00 C ATOM 430 C VAL A 30 -14.975 -0.200 7.925 1.00 0.00 C ATOM 431 O VAL A 30 -14.267 -0.804 8.731 1.00 0.00 O ATOM 432 CB VAL A 30 -13.320 1.624 7.524 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.728 0.777 6.407 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.128 3.106 7.239 1.00 0.00 C ATOM 0 H VAL A 30 -14.793 2.091 9.654 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.359 1.599 6.817 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.794 1.384 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.672 1.019 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.833 -0.279 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.255 0.984 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.067 3.317 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.666 3.374 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.514 3.690 8.075 1.00 0.00 H new ATOM 444 N THR A 31 -15.913 -0.798 7.197 1.00 0.00 N ATOM 445 CA THR A 31 -16.168 -2.229 7.305 1.00 0.00 C ATOM 446 C THR A 31 -15.763 -2.958 6.030 1.00 0.00 C ATOM 447 O THR A 31 -15.224 -4.064 6.080 1.00 0.00 O ATOM 448 CB THR A 31 -17.654 -2.514 7.596 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.477 -1.863 6.622 1.00 0.00 O ATOM 450 CG2 THR A 31 -18.034 -2.035 8.990 1.00 0.00 C ATOM 0 H THR A 31 -16.509 -0.313 6.526 1.00 0.00 H new ATOM 0 HA THR A 31 -15.565 -2.595 8.136 1.00 0.00 H new ATOM 0 HB THR A 31 -17.812 -3.591 7.543 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.420 -2.050 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.087 -2.247 9.173 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.426 -2.553 9.731 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.861 -0.961 9.065 1.00 0.00 H new ATOM 458 N ASP A 32 -16.025 -2.333 4.888 1.00 0.00 N ATOM 459 CA ASP A 32 -15.686 -2.922 3.597 1.00 0.00 C ATOM 460 C ASP A 32 -14.894 -1.939 2.742 1.00 0.00 C ATOM 461 O ASP A 32 -14.550 -0.845 3.192 1.00 0.00 O ATOM 462 CB ASP A 32 -16.955 -3.352 2.859 1.00 0.00 C ATOM 463 CG ASP A 32 -16.697 -4.466 1.864 1.00 0.00 C ATOM 464 OD1 ASP A 32 -16.373 -4.157 0.698 1.00 0.00 O ATOM 465 OD2 ASP A 32 -16.818 -5.646 2.251 1.00 0.00 O ATOM 0 H ASP A 32 -16.471 -1.418 4.829 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.066 -3.800 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.699 -3.682 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.377 -2.493 2.337 1.00 0.00 H new ATOM 470 N LEU A 33 -14.606 -2.335 1.507 1.00 0.00 N ATOM 471 CA LEU A 33 -13.852 -1.489 0.589 1.00 0.00 C ATOM 472 C LEU A 33 -14.714 -1.072 -0.599 1.00 0.00 C ATOM 473 O LEU A 33 -14.199 -0.672 -1.644 1.00 0.00 O ATOM 474 CB LEU A 33 -12.604 -2.223 0.095 1.00 0.00 C ATOM 475 CG LEU A 33 -11.615 -2.666 1.174 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.711 -3.770 0.649 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.790 -1.483 1.659 1.00 0.00 C ATOM 0 H LEU A 33 -14.883 -3.236 1.118 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.548 -0.591 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.922 -3.104 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.079 -1.574 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.180 -3.059 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.014 -4.072 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.317 -4.626 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.153 -3.404 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.092 -1.817 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.234 -1.059 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.452 -0.724 2.076 1.00 0.00 H new ATOM 489 N THR A 34 -16.029 -1.167 -0.432 1.00 0.00 N ATOM 490 CA THR A 34 -16.963 -0.800 -1.489 1.00 0.00 C ATOM 491 C THR A 34 -18.055 0.123 -0.961 1.00 0.00 C ATOM 492 O THR A 34 -18.551 0.991 -1.681 1.00 0.00 O ATOM 493 CB THR A 34 -17.618 -2.045 -2.117 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.073 -2.931 -1.089 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.638 -2.772 -3.024 1.00 0.00 C ATOM 0 H THR A 34 -16.472 -1.495 0.426 1.00 0.00 H new ATOM 0 HA THR A 34 -16.387 -0.277 -2.253 1.00 0.00 H new ATOM 0 HB THR A 34 -18.468 -1.718 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.301 -3.315 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.123 -3.647 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.317 -2.104 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.770 -3.087 -2.444 1.00 0.00 H new ATOM 503 N THR A 35 -18.426 -0.067 0.301 1.00 0.00 N ATOM 504 CA THR A 35 -19.460 0.749 0.925 1.00 0.00 C ATOM 505 C THR A 35 -18.849 1.882 1.741 1.00 0.00 C ATOM 506 O THR A 35 -19.261 3.036 1.625 1.00 0.00 O ATOM 507 CB THR A 35 -20.366 -0.096 1.840 1.00 0.00 C ATOM 508 OG1 THR A 35 -19.567 -0.879 2.733 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.262 -1.011 1.019 1.00 0.00 C ATOM 0 H THR A 35 -18.026 -0.779 0.911 1.00 0.00 H new ATOM 0 HA THR A 35 -20.061 1.169 0.118 1.00 0.00 H new ATOM 0 HB THR A 35 -20.996 0.582 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.151 -1.412 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 -21.893 -1.598 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.890 -0.410 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.646 -1.681 0.420 1.00 0.00 H new ATOM 517 N SER A 36 -17.862 1.546 2.566 1.00 0.00 N ATOM 518 CA SER A 36 -17.196 2.536 3.404 1.00 0.00 C ATOM 519 C SER A 36 -16.574 3.639 2.552 1.00 0.00 C ATOM 520 O SER A 36 -16.156 4.675 3.068 1.00 0.00 O ATOM 521 CB SER A 36 -16.117 1.868 4.259 1.00 0.00 C ATOM 522 OG SER A 36 -14.931 1.659 3.513 1.00 0.00 O ATOM 0 H SER A 36 -17.506 0.596 2.672 1.00 0.00 H new ATOM 0 HA SER A 36 -17.944 2.984 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.899 2.491 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.486 0.914 4.636 1.00 0.00 H new ATOM 0 HG SER A 36 -15.147 1.626 2.558 1.00 0.00 H new ATOM 528 N TRP A 37 -16.519 3.408 1.246 1.00 0.00 N ATOM 529 CA TRP A 37 -15.949 4.381 0.321 1.00 0.00 C ATOM 530 C TRP A 37 -16.989 4.842 -0.693 1.00 0.00 C ATOM 531 O TRP A 37 -16.647 5.391 -1.741 1.00 0.00 O ATOM 532 CB TRP A 37 -14.742 3.781 -0.403 1.00 0.00 C ATOM 533 CG TRP A 37 -13.803 3.054 0.510 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.004 1.834 1.090 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.515 3.501 0.948 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.919 1.496 1.863 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.992 2.502 1.792 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.753 4.648 0.709 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.743 2.618 2.396 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.514 4.761 1.310 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.018 3.751 2.145 1.00 0.00 C ATOM 0 H TRP A 37 -16.862 2.556 0.803 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.624 5.247 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -15.094 3.094 -1.173 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.199 4.578 -0.911 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.886 1.224 0.960 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.820 0.636 2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -12.126 5.432 0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.360 1.841 3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.917 5.644 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.045 3.869 2.599 1.00 0.00 H new ATOM 552 N ARG A 38 -18.260 4.617 -0.376 1.00 0.00 N ATOM 553 CA ARG A 38 -19.350 5.009 -1.261 1.00 0.00 C ATOM 554 C ARG A 38 -19.567 6.519 -1.220 1.00 0.00 C ATOM 555 O ARG A 38 -19.751 7.158 -2.256 1.00 0.00 O ATOM 556 CB ARG A 38 -20.640 4.287 -0.867 1.00 0.00 C ATOM 557 CG ARG A 38 -21.257 4.802 0.423 1.00 0.00 C ATOM 558 CD ARG A 38 -22.412 3.924 0.877 1.00 0.00 C ATOM 559 NE ARG A 38 -23.578 4.061 0.009 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.820 3.796 0.399 1.00 0.00 C ATOM 561 NH1 ARG A 38 -25.055 3.381 1.637 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.830 3.945 -0.449 1.00 0.00 N ATOM 0 H ARG A 38 -18.560 4.165 0.488 1.00 0.00 H new ATOM 0 HA ARG A 38 -19.079 4.725 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.366 4.391 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.432 3.222 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.496 4.837 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.610 5.823 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.091 2.882 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.688 4.187 1.898 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.431 4.378 -0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.281 3.265 2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -26.009 3.178 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.653 4.263 -1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.783 3.741 -0.148 1.00 0.00 H new ATOM 576 N SER A 39 -19.543 7.083 -0.017 1.00 0.00 N ATOM 577 CA SER A 39 -19.742 8.517 0.159 1.00 0.00 C ATOM 578 C SER A 39 -18.473 9.288 -0.192 1.00 0.00 C ATOM 579 O SER A 39 -18.529 10.345 -0.819 1.00 0.00 O ATOM 580 CB SER A 39 -20.156 8.822 1.600 1.00 0.00 C ATOM 581 OG SER A 39 -20.567 10.171 1.737 1.00 0.00 O ATOM 0 H SER A 39 -19.388 6.569 0.850 1.00 0.00 H new ATOM 0 HA SER A 39 -20.537 8.835 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.969 8.159 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.321 8.623 2.272 1.00 0.00 H new ATOM 0 HG SER A 39 -20.828 10.341 2.666 1.00 0.00 H new ATOM 587 N GLY A 40 -17.328 8.750 0.218 1.00 0.00 N ATOM 588 CA GLY A 40 -16.061 9.400 -0.062 1.00 0.00 C ATOM 589 C GLY A 40 -15.323 9.798 1.201 1.00 0.00 C ATOM 590 O GLY A 40 -14.097 9.697 1.270 1.00 0.00 O ATOM 0 H GLY A 40 -17.255 7.876 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.434 8.729 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.238 10.287 -0.671 1.00 0.00 H new ATOM 594 N LEU A 41 -16.068 10.254 2.201 1.00 0.00 N ATOM 595 CA LEU A 41 -15.477 10.671 3.468 1.00 0.00 C ATOM 596 C LEU A 41 -14.296 9.779 3.838 1.00 0.00 C ATOM 597 O LEU A 41 -13.183 10.260 4.043 1.00 0.00 O ATOM 598 CB LEU A 41 -16.527 10.635 4.580 1.00 0.00 C ATOM 599 CG LEU A 41 -17.758 11.516 4.369 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.816 11.215 5.420 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.373 12.988 4.404 1.00 0.00 C ATOM 0 H LEU A 41 -17.083 10.345 2.159 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.114 11.692 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.860 9.605 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.049 10.931 5.514 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.176 11.294 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.685 11.852 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.113 10.169 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.409 11.409 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.262 13.600 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.930 13.225 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.651 13.194 3.614 1.00 0.00 H new ATOM 613 N ALA A 42 -14.548 8.476 3.918 1.00 0.00 N ATOM 614 CA ALA A 42 -13.506 7.516 4.258 1.00 0.00 C ATOM 615 C ALA A 42 -12.155 7.952 3.701 1.00 0.00 C ATOM 616 O ALA A 42 -11.242 8.292 4.454 1.00 0.00 O ATOM 617 CB ALA A 42 -13.872 6.133 3.739 1.00 0.00 C ATOM 0 H ALA A 42 -15.465 8.062 3.752 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.425 7.474 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.084 5.426 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.811 5.812 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.983 6.169 2.655 1.00 0.00 H new ATOM 623 N LEU A 43 -12.034 7.939 2.378 1.00 0.00 N ATOM 624 CA LEU A 43 -10.793 8.332 1.720 1.00 0.00 C ATOM 625 C LEU A 43 -10.376 9.738 2.140 1.00 0.00 C ATOM 626 O LEU A 43 -9.243 9.957 2.569 1.00 0.00 O ATOM 627 CB LEU A 43 -10.957 8.269 0.200 1.00 0.00 C ATOM 628 CG LEU A 43 -9.723 8.638 -0.624 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.579 7.681 -0.329 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.054 8.636 -2.110 1.00 0.00 C ATOM 0 H LEU A 43 -12.780 7.661 1.740 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.012 7.635 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.261 7.258 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.772 8.934 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.409 9.644 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.709 7.959 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.325 7.733 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.881 6.664 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.164 8.901 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.393 7.643 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.842 9.363 -2.308 1.00 0.00 H new ATOM 642 N CYS A 44 -11.298 10.685 2.015 1.00 0.00 N ATOM 643 CA CYS A 44 -11.027 12.070 2.383 1.00 0.00 C ATOM 644 C CYS A 44 -10.347 12.147 3.746 1.00 0.00 C ATOM 645 O CYS A 44 -9.469 12.981 3.967 1.00 0.00 O ATOM 646 CB CYS A 44 -12.324 12.879 2.400 1.00 0.00 C ATOM 647 SG CYS A 44 -13.126 13.023 0.786 1.00 0.00 S ATOM 0 H CYS A 44 -12.240 10.519 1.662 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.354 12.493 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.020 12.415 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.111 13.879 2.778 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.681 11.890 0.475 1.00 0.00 H new ATOM 653 N ALA A 45 -10.760 11.273 4.658 1.00 0.00 N ATOM 654 CA ALA A 45 -10.191 11.242 5.999 1.00 0.00 C ATOM 655 C ALA A 45 -8.698 10.937 5.955 1.00 0.00 C ATOM 656 O ALA A 45 -7.896 11.627 6.585 1.00 0.00 O ATOM 657 CB ALA A 45 -10.916 10.215 6.856 1.00 0.00 C ATOM 0 H ALA A 45 -11.487 10.577 4.492 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.321 12.228 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.481 10.202 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.972 10.478 6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.816 9.228 6.404 1.00 0.00 H new ATOM 663 N ILE A 46 -8.332 9.901 5.208 1.00 0.00 N ATOM 664 CA ILE A 46 -6.934 9.507 5.082 1.00 0.00 C ATOM 665 C ILE A 46 -6.069 10.682 4.642 1.00 0.00 C ATOM 666 O ILE A 46 -4.974 10.890 5.165 1.00 0.00 O ATOM 667 CB ILE A 46 -6.764 8.352 4.077 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.539 7.120 4.546 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.290 8.021 3.897 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.809 6.120 3.444 1.00 0.00 C ATOM 0 H ILE A 46 -8.984 9.319 4.681 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.610 9.171 6.067 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.167 8.665 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.978 6.629 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.488 7.440 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.185 7.203 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.763 8.899 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.864 7.724 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.362 5.273 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.397 6.594 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.863 5.771 3.029 1.00 0.00 H new ATOM 682 N ILE A 47 -6.568 11.448 3.677 1.00 0.00 N ATOM 683 CA ILE A 47 -5.841 12.605 3.168 1.00 0.00 C ATOM 684 C ILE A 47 -5.833 13.740 4.186 1.00 0.00 C ATOM 685 O ILE A 47 -4.772 14.220 4.588 1.00 0.00 O ATOM 686 CB ILE A 47 -6.450 13.117 1.850 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.502 11.990 0.815 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.648 14.295 1.318 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.441 12.270 -0.337 1.00 0.00 C ATOM 0 H ILE A 47 -7.472 11.288 3.232 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.818 12.279 2.983 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.468 13.454 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.499 11.821 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.810 11.068 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.091 14.646 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.658 15.102 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.620 13.983 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.427 11.429 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.453 12.409 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.121 13.174 -0.856 1.00 0.00 H new ATOM 701 N HIS A 48 -7.022 14.165 4.601 1.00 0.00 N ATOM 702 CA HIS A 48 -7.152 15.243 5.574 1.00 0.00 C ATOM 703 C HIS A 48 -6.256 14.994 6.784 1.00 0.00 C ATOM 704 O HIS A 48 -5.528 15.884 7.223 1.00 0.00 O ATOM 705 CB HIS A 48 -8.608 15.381 6.023 1.00 0.00 C ATOM 706 CG HIS A 48 -8.764 16.053 7.352 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.911 15.360 8.534 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.793 17.366 7.681 1.00 0.00 C ATOM 709 CE1 HIS A 48 -9.026 16.216 9.533 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.958 17.440 9.043 1.00 0.00 N ATOM 0 H HIS A 48 -7.909 13.779 4.278 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.838 16.171 5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.159 15.947 5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.060 14.390 6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.703 18.199 7.000 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.154 15.958 10.574 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.018 18.301 9.587 1.00 0.00 H new ATOM 719 N ARG A 49 -6.316 13.778 7.318 1.00 0.00 N ATOM 720 CA ARG A 49 -5.512 13.413 8.478 1.00 0.00 C ATOM 721 C ARG A 49 -4.105 13.993 8.368 1.00 0.00 C ATOM 722 O ARG A 49 -3.703 14.831 9.175 1.00 0.00 O ATOM 723 CB ARG A 49 -5.439 11.891 8.616 1.00 0.00 C ATOM 724 CG ARG A 49 -5.292 11.416 10.052 1.00 0.00 C ATOM 725 CD ARG A 49 -3.936 11.793 10.628 1.00 0.00 C ATOM 726 NE ARG A 49 -3.648 11.074 11.866 1.00 0.00 N ATOM 727 CZ ARG A 49 -4.063 11.477 13.063 1.00 0.00 C ATOM 728 NH1 ARG A 49 -4.780 12.586 13.181 1.00 0.00 N ATOM 729 NH2 ARG A 49 -3.761 10.769 14.144 1.00 0.00 N ATOM 0 H ARG A 49 -6.913 13.030 6.966 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.989 13.829 9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.340 11.452 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.596 11.522 8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.082 11.852 10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.418 10.334 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.158 11.578 9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.908 12.866 10.817 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.099 10.216 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.015 13.132 12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.097 12.893 14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.210 9.915 14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.080 11.079 15.062 1.00 0.00 H new ATOM 743 N PHE A 50 -3.361 13.539 7.365 1.00 0.00 N ATOM 744 CA PHE A 50 -1.998 14.011 7.150 1.00 0.00 C ATOM 745 C PHE A 50 -1.992 15.465 6.687 1.00 0.00 C ATOM 746 O PHE A 50 -1.289 16.304 7.251 1.00 0.00 O ATOM 747 CB PHE A 50 -1.288 13.133 6.117 1.00 0.00 C ATOM 748 CG PHE A 50 -0.946 11.763 6.629 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.897 10.756 6.640 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.327 11.483 7.099 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.585 9.494 7.110 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.645 10.223 7.570 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.312 9.228 7.577 1.00 0.00 C ATOM 0 H PHE A 50 -3.679 12.845 6.688 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.465 13.948 8.099 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.923 13.035 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.373 13.631 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.894 10.959 6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.079 12.258 7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.335 8.717 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.641 10.017 7.932 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.066 8.244 7.947 1.00 0.00 H new ATOM 763 N ARG A 51 -2.781 15.755 5.658 1.00 0.00 N ATOM 764 CA ARG A 51 -2.866 17.107 5.118 1.00 0.00 C ATOM 765 C ARG A 51 -4.309 17.602 5.116 1.00 0.00 C ATOM 766 O ARG A 51 -5.057 17.408 4.158 1.00 0.00 O ATOM 767 CB ARG A 51 -2.300 17.148 3.697 1.00 0.00 C ATOM 768 CG ARG A 51 -0.798 16.925 3.633 1.00 0.00 C ATOM 769 CD ARG A 51 -0.032 18.170 4.049 1.00 0.00 C ATOM 770 NE ARG A 51 0.152 18.241 5.496 1.00 0.00 N ATOM 771 CZ ARG A 51 0.825 19.211 6.105 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.375 20.187 5.396 1.00 0.00 N ATOM 773 NH2 ARG A 51 0.950 19.206 7.426 1.00 0.00 N ATOM 0 H ARG A 51 -3.370 15.072 5.181 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.275 17.764 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.798 16.388 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.535 18.114 3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.524 16.094 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.514 16.643 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.942 18.177 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.567 19.056 3.708 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.259 17.505 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.282 20.194 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.891 20.931 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.529 18.457 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.467 19.951 7.892 1.00 0.00 H new ATOM 787 N PRO A 52 -4.712 18.256 6.216 1.00 0.00 N ATOM 788 CA PRO A 52 -6.068 18.792 6.366 1.00 0.00 C ATOM 789 C PRO A 52 -6.327 19.980 5.445 1.00 0.00 C ATOM 790 O PRO A 52 -7.472 20.268 5.098 1.00 0.00 O ATOM 791 CB PRO A 52 -6.115 19.232 7.832 1.00 0.00 C ATOM 792 CG PRO A 52 -4.695 19.500 8.192 1.00 0.00 C ATOM 793 CD PRO A 52 -3.874 18.524 7.397 1.00 0.00 C ATOM 0 HA PRO A 52 -6.828 18.057 6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.730 20.123 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.544 18.455 8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.419 20.527 7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.532 19.367 9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.908 18.945 7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.673 17.614 7.962 1.00 0.00 H new ATOM 801 N GLU A 53 -5.257 20.664 5.053 1.00 0.00 N ATOM 802 CA GLU A 53 -5.371 21.820 4.172 1.00 0.00 C ATOM 803 C GLU A 53 -5.899 21.410 2.801 1.00 0.00 C ATOM 804 O GLU A 53 -6.582 22.184 2.129 1.00 0.00 O ATOM 805 CB GLU A 53 -4.013 22.510 4.022 1.00 0.00 C ATOM 806 CG GLU A 53 -2.931 21.607 3.455 1.00 0.00 C ATOM 807 CD GLU A 53 -2.169 20.861 4.532 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.687 19.838 5.026 1.00 0.00 O ATOM 809 OE2 GLU A 53 -1.053 21.301 4.882 1.00 0.00 O ATOM 0 H GLU A 53 -4.302 20.438 5.331 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.078 22.518 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.126 23.379 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.693 22.879 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.384 20.888 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.233 22.206 2.870 1.00 0.00 H new ATOM 816 N LEU A 54 -5.579 20.187 2.392 1.00 0.00 N ATOM 817 CA LEU A 54 -6.021 19.673 1.100 1.00 0.00 C ATOM 818 C LEU A 54 -7.514 19.360 1.120 1.00 0.00 C ATOM 819 O LEU A 54 -8.241 19.697 0.186 1.00 0.00 O ATOM 820 CB LEU A 54 -5.230 18.416 0.732 1.00 0.00 C ATOM 821 CG LEU A 54 -3.708 18.563 0.713 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.044 17.209 0.515 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.279 19.534 -0.377 1.00 0.00 C ATOM 0 H LEU A 54 -5.016 19.533 2.936 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.840 20.442 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.490 17.627 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.555 18.082 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.389 18.964 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.961 17.333 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.325 16.543 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.370 16.779 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.193 19.626 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.610 19.162 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.726 20.511 -0.191 1.00 0.00 H new ATOM 835 N ILE A 55 -7.964 18.716 2.192 1.00 0.00 N ATOM 836 CA ILE A 55 -9.370 18.361 2.335 1.00 0.00 C ATOM 837 C ILE A 55 -9.903 18.765 3.705 1.00 0.00 C ATOM 838 O ILE A 55 -9.260 18.527 4.727 1.00 0.00 O ATOM 839 CB ILE A 55 -9.593 16.850 2.135 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.146 16.427 0.734 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.055 16.496 2.360 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.227 14.935 0.499 1.00 0.00 C ATOM 0 H ILE A 55 -7.375 18.430 2.974 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.912 18.905 1.562 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.992 16.309 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.764 16.937 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.119 16.757 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.197 15.425 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.342 16.766 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.675 17.043 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.895 14.708 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.587 14.419 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.257 14.602 0.627 1.00 0.00 H new ATOM 854 N ASN A 56 -11.082 19.378 3.718 1.00 0.00 N ATOM 855 CA ASN A 56 -11.703 19.814 4.964 1.00 0.00 C ATOM 856 C ASN A 56 -12.918 18.954 5.297 1.00 0.00 C ATOM 857 O ASN A 56 -14.045 19.282 4.925 1.00 0.00 O ATOM 858 CB ASN A 56 -12.116 21.284 4.864 1.00 0.00 C ATOM 859 CG ASN A 56 -12.534 21.859 6.204 1.00 0.00 C ATOM 860 OD1 ASN A 56 -13.795 22.262 6.307 1.00 0.00 O flip ATOM 861 ND2 ASN A 56 -11.732 21.940 7.134 1.00 0.00 N flip ATOM 0 H ASN A 56 -11.627 19.584 2.881 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.972 19.702 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.285 21.866 4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.940 21.380 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.772 21.618 7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.027 22.329 8.029 1.00 0.00 H new ATOM 868 N PHE A 57 -12.681 17.853 6.002 1.00 0.00 N ATOM 869 CA PHE A 57 -13.756 16.944 6.385 1.00 0.00 C ATOM 870 C PHE A 57 -14.947 17.717 6.943 1.00 0.00 C ATOM 871 O PHE A 57 -16.080 17.539 6.496 1.00 0.00 O ATOM 872 CB PHE A 57 -13.255 15.938 7.423 1.00 0.00 C ATOM 873 CG PHE A 57 -14.038 14.656 7.441 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.225 14.564 8.149 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.586 13.543 6.749 1.00 0.00 C ATOM 876 CE1 PHE A 57 -15.947 13.385 8.168 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.304 12.362 6.763 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.486 12.283 7.473 1.00 0.00 C ATOM 0 H PHE A 57 -11.755 17.568 6.320 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.079 16.406 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.208 15.712 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.299 16.395 8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.591 15.423 8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.662 13.599 6.193 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.870 13.325 8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.941 11.502 6.219 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.049 11.362 7.485 1.00 0.00 H new ATOM 888 N ASP A 58 -14.682 18.575 7.922 1.00 0.00 N ATOM 889 CA ASP A 58 -15.732 19.376 8.542 1.00 0.00 C ATOM 890 C ASP A 58 -16.726 19.872 7.496 1.00 0.00 C ATOM 891 O ASP A 58 -17.931 19.918 7.743 1.00 0.00 O ATOM 892 CB ASP A 58 -15.123 20.563 9.289 1.00 0.00 C ATOM 893 CG ASP A 58 -16.177 21.510 9.829 1.00 0.00 C ATOM 894 OD1 ASP A 58 -17.313 21.054 10.075 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.866 22.707 10.003 1.00 0.00 O ATOM 0 H ASP A 58 -13.749 18.734 8.304 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.265 18.745 9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.513 20.195 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.458 21.108 8.619 1.00 0.00 H new ATOM 900 N SER A 59 -16.212 20.243 6.328 1.00 0.00 N ATOM 901 CA SER A 59 -17.053 20.741 5.246 1.00 0.00 C ATOM 902 C SER A 59 -17.768 19.592 4.541 1.00 0.00 C ATOM 903 O SER A 59 -18.950 19.691 4.210 1.00 0.00 O ATOM 904 CB SER A 59 -16.213 21.529 4.239 1.00 0.00 C ATOM 905 OG SER A 59 -16.074 22.881 4.638 1.00 0.00 O ATOM 0 H SER A 59 -15.217 20.208 6.107 1.00 0.00 H new ATOM 0 HA SER A 59 -17.804 21.403 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.228 21.071 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.681 21.483 3.256 1.00 0.00 H new ATOM 0 HG SER A 59 -15.318 22.964 5.256 1.00 0.00 H new ATOM 911 N LEU A 60 -17.042 18.503 4.314 1.00 0.00 N ATOM 912 CA LEU A 60 -17.606 17.334 3.649 1.00 0.00 C ATOM 913 C LEU A 60 -18.920 16.917 4.300 1.00 0.00 C ATOM 914 O LEU A 60 -18.961 16.589 5.485 1.00 0.00 O ATOM 915 CB LEU A 60 -16.612 16.171 3.689 1.00 0.00 C ATOM 916 CG LEU A 60 -15.232 16.446 3.090 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.284 15.294 3.384 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.339 16.683 1.591 1.00 0.00 C ATOM 0 H LEU A 60 -16.062 18.405 4.580 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.805 17.599 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.481 15.867 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.053 15.325 3.162 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.829 17.348 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.307 15.507 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.183 15.172 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.681 14.376 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.348 16.877 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.763 15.800 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.983 17.542 1.404 1.00 0.00 H new ATOM 930 N ASN A 61 -19.994 16.930 3.516 1.00 0.00 N ATOM 931 CA ASN A 61 -21.310 16.552 4.016 1.00 0.00 C ATOM 932 C ASN A 61 -21.758 15.222 3.417 1.00 0.00 C ATOM 933 O ASN A 61 -21.901 15.096 2.201 1.00 0.00 O ATOM 934 CB ASN A 61 -22.334 17.641 3.692 1.00 0.00 C ATOM 935 CG ASN A 61 -23.755 17.110 3.665 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.041 16.144 4.529 1.00 0.00 O flip ATOM 937 ND2 ASN A 61 -24.584 17.564 2.876 1.00 0.00 N flip ATOM 0 H ASN A 61 -19.978 17.198 2.532 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.241 16.438 5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.261 18.437 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.096 18.083 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -24.319 18.307 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -25.536 17.197 2.869 1.00 0.00 H new ATOM 944 N GLU A 62 -21.979 14.235 4.279 1.00 0.00 N ATOM 945 CA GLU A 62 -22.411 12.915 3.835 1.00 0.00 C ATOM 946 C GLU A 62 -23.338 13.024 2.628 1.00 0.00 C ATOM 947 O GLU A 62 -23.114 12.385 1.600 1.00 0.00 O ATOM 948 CB GLU A 62 -23.120 12.176 4.971 1.00 0.00 C ATOM 949 CG GLU A 62 -24.245 12.975 5.608 1.00 0.00 C ATOM 950 CD GLU A 62 -25.583 12.738 4.934 1.00 0.00 C ATOM 951 OE1 GLU A 62 -25.798 11.622 4.418 1.00 0.00 O ATOM 952 OE2 GLU A 62 -26.414 13.670 4.924 1.00 0.00 O ATOM 0 H GLU A 62 -21.866 14.324 5.289 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.525 12.351 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.523 11.239 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.389 11.919 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.322 12.710 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.002 14.037 5.563 1.00 0.00 H new ATOM 959 N ASP A 63 -24.379 13.839 2.761 1.00 0.00 N ATOM 960 CA ASP A 63 -25.341 14.033 1.682 1.00 0.00 C ATOM 961 C ASP A 63 -24.639 14.473 0.401 1.00 0.00 C ATOM 962 O ASP A 63 -24.966 14.006 -0.690 1.00 0.00 O ATOM 963 CB ASP A 63 -26.390 15.070 2.085 1.00 0.00 C ATOM 964 CG ASP A 63 -27.605 15.047 1.179 1.00 0.00 C ATOM 965 OD1 ASP A 63 -28.204 13.963 1.016 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.957 16.113 0.633 1.00 0.00 O ATOM 0 H ASP A 63 -24.578 14.376 3.605 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.837 13.080 1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.703 14.885 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.942 16.063 2.062 1.00 0.00 H new ATOM 971 N ASP A 64 -23.674 15.375 0.541 1.00 0.00 N ATOM 972 CA ASP A 64 -22.925 15.878 -0.604 1.00 0.00 C ATOM 973 C ASP A 64 -21.843 14.889 -1.024 1.00 0.00 C ATOM 974 O ASP A 64 -20.709 15.276 -1.306 1.00 0.00 O ATOM 975 CB ASP A 64 -22.295 17.232 -0.274 1.00 0.00 C ATOM 976 CG ASP A 64 -23.266 18.382 -0.455 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.021 18.371 -1.450 1.00 0.00 O ATOM 978 OD2 ASP A 64 -23.272 19.294 0.398 1.00 0.00 O ATOM 0 H ASP A 64 -23.392 15.773 1.437 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.620 16.002 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.937 17.221 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.426 17.390 -0.912 1.00 0.00 H new ATOM 983 N ALA A 65 -22.200 13.609 -1.062 1.00 0.00 N ATOM 984 CA ALA A 65 -21.260 12.564 -1.448 1.00 0.00 C ATOM 985 C ALA A 65 -20.512 12.942 -2.722 1.00 0.00 C ATOM 986 O ALA A 65 -19.288 13.070 -2.720 1.00 0.00 O ATOM 987 CB ALA A 65 -21.989 11.242 -1.633 1.00 0.00 C ATOM 0 H ALA A 65 -23.134 13.271 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.528 12.454 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.275 10.470 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.472 10.959 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.743 11.348 -2.413 1.00 0.00 H new ATOM 993 N VAL A 66 -21.257 13.119 -3.809 1.00 0.00 N ATOM 994 CA VAL A 66 -20.664 13.482 -5.091 1.00 0.00 C ATOM 995 C VAL A 66 -19.502 14.452 -4.904 1.00 0.00 C ATOM 996 O VAL A 66 -18.377 14.174 -5.316 1.00 0.00 O ATOM 997 CB VAL A 66 -21.704 14.120 -6.030 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.051 14.559 -7.331 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.845 13.150 -6.298 1.00 0.00 C ATOM 0 H VAL A 66 -22.272 13.017 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.296 12.560 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.115 15.004 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.802 15.007 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.272 15.291 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.611 13.694 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.571 13.617 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.453 12.247 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.330 12.890 -5.357 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.784 15.591 -4.279 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.762 16.602 -4.037 1.00 0.00 C ATOM 1011 C GLU A 67 -17.595 16.018 -3.247 1.00 0.00 C ATOM 1012 O GLU A 67 -16.435 16.169 -3.629 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.359 17.792 -3.283 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.201 18.706 -4.156 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.983 19.725 -3.350 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -21.505 19.357 -2.277 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -21.074 20.889 -3.793 1.00 0.00 O ATOM 0 H GLU A 67 -20.711 15.836 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.389 16.943 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.973 17.420 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.550 18.372 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.553 19.226 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.894 18.104 -4.744 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.911 15.351 -2.141 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.889 14.745 -1.296 1.00 0.00 C ATOM 1026 C ASN A 68 -15.964 13.851 -2.116 1.00 0.00 C ATOM 1027 O ASN A 68 -14.755 14.071 -2.166 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.541 13.932 -0.175 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.325 14.802 0.789 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.893 15.899 1.144 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.483 14.314 1.218 1.00 0.00 N ATOM 0 H ASN A 68 -18.866 15.217 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.295 15.546 -0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.206 13.186 -0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.770 13.390 0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.054 14.853 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.801 13.400 0.897 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.543 12.841 -2.758 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.771 11.913 -3.576 1.00 0.00 C ATOM 1040 C ASN A 69 -14.970 12.660 -4.638 1.00 0.00 C ATOM 1041 O ASN A 69 -13.743 12.576 -4.677 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.699 10.896 -4.244 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.126 9.793 -3.294 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.290 9.130 -2.680 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.433 9.592 -3.171 1.00 0.00 N ATOM 0 H ASN A 69 -17.543 12.645 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.074 11.387 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.583 11.409 -4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.193 10.456 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.780 8.863 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.089 10.166 -3.700 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.674 13.392 -5.496 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.028 14.154 -6.559 1.00 0.00 C ATOM 1054 C GLN A 70 -13.832 14.932 -6.020 1.00 0.00 C ATOM 1055 O GLN A 70 -12.755 14.929 -6.618 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.027 15.114 -7.206 1.00 0.00 C ATOM 1057 CG GLN A 70 -16.782 14.509 -8.378 1.00 0.00 C ATOM 1058 CD GLN A 70 -16.054 14.687 -9.696 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -14.997 13.910 -9.899 1.00 0.00 O flip ATOM 1060 NE2 GLN A 70 -16.437 15.516 -10.522 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.691 13.474 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.672 13.451 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.744 15.441 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.496 16.002 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.939 13.446 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.768 14.969 -8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.255 16.093 -10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.936 15.626 -11.404 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.027 15.598 -4.888 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.965 16.382 -4.268 1.00 0.00 C ATOM 1071 C LEU A 71 -11.696 15.551 -4.110 1.00 0.00 C ATOM 1072 O LEU A 71 -10.666 15.851 -4.714 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.418 16.905 -2.904 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.332 17.536 -2.031 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.780 18.790 -2.691 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.879 17.855 -0.648 1.00 0.00 C ATOM 0 H LEU A 71 -14.911 15.611 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.745 17.228 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.203 17.644 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.866 16.079 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.518 16.820 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.009 19.226 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.351 18.533 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.585 19.512 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.093 18.303 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.711 18.553 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.226 16.937 -0.173 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.778 14.503 -3.297 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.638 13.625 -3.064 1.00 0.00 C ATOM 1090 C ALA A 72 -9.979 13.221 -4.378 1.00 0.00 C ATOM 1091 O ALA A 72 -8.763 13.336 -4.535 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.072 12.391 -2.287 1.00 0.00 C ATOM 0 H ALA A 72 -12.623 14.241 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.904 14.173 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.210 11.744 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.490 12.694 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.827 11.849 -2.857 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.787 12.746 -5.319 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.282 12.323 -6.620 1.00 0.00 C ATOM 1100 C PHE A 73 -9.487 13.443 -7.285 1.00 0.00 C ATOM 1101 O PHE A 73 -8.370 13.231 -7.757 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.438 11.895 -7.526 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.189 10.700 -7.014 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.512 9.617 -6.476 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.573 10.658 -7.072 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.201 8.516 -6.004 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.267 9.559 -6.602 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.580 8.486 -6.068 1.00 0.00 C ATOM 0 H PHE A 73 -11.795 12.644 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.618 11.473 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.131 12.729 -7.637 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.048 11.671 -8.519 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.433 9.634 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -14.115 11.494 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.661 7.680 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.346 9.539 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.120 7.626 -5.701 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.072 14.636 -7.319 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.419 15.790 -7.925 1.00 0.00 C ATOM 1120 C ASP A 74 -8.122 16.127 -7.196 1.00 0.00 C ATOM 1121 O ASP A 74 -7.103 16.418 -7.822 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.356 16.999 -7.909 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.996 18.025 -8.966 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -8.926 18.656 -8.839 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -10.785 18.197 -9.919 1.00 0.00 O ATOM 0 H ASP A 74 -10.997 14.828 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.179 15.539 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.381 16.663 -8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.323 17.468 -6.926 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.168 16.086 -5.868 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.997 16.387 -5.053 1.00 0.00 C ATOM 1132 C VAL A 75 -5.896 15.355 -5.272 1.00 0.00 C ATOM 1133 O VAL A 75 -4.711 15.688 -5.278 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.352 16.433 -3.555 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.098 16.613 -2.714 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.353 17.544 -3.280 1.00 0.00 C ATOM 0 H VAL A 75 -9.004 15.847 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.639 17.368 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.812 15.484 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.369 16.643 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.419 15.779 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.606 17.546 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.593 17.563 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.923 18.502 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.262 17.365 -3.854 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.296 14.100 -5.451 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.343 13.019 -5.673 1.00 0.00 C ATOM 1148 C ALA A 76 -4.698 13.130 -7.050 1.00 0.00 C ATOM 1149 O ALA A 76 -3.550 12.730 -7.241 1.00 0.00 O ATOM 1150 CB ALA A 76 -6.030 11.671 -5.516 1.00 0.00 C ATOM 0 H ALA A 76 -7.273 13.807 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.555 13.102 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.307 10.873 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.437 11.585 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.838 11.588 -6.242 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.445 13.674 -8.006 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.944 13.835 -9.366 1.00 0.00 C ATOM 1158 C GLU A 77 -4.171 15.142 -9.511 1.00 0.00 C ATOM 1159 O GLU A 77 -3.429 15.334 -10.474 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.102 13.801 -10.366 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.714 13.249 -11.728 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.778 14.170 -12.486 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -5.193 15.302 -12.810 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.630 13.758 -12.755 1.00 0.00 O ATOM 0 H GLU A 77 -6.398 14.010 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.266 13.008 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.909 13.195 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.493 14.811 -10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.236 12.278 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.615 13.086 -12.320 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.351 16.039 -8.546 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.673 17.329 -8.566 1.00 0.00 C ATOM 1173 C ARG A 78 -2.444 17.311 -7.662 1.00 0.00 C ATOM 1174 O ARG A 78 -1.443 17.967 -7.947 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.628 18.439 -8.123 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.624 18.848 -9.196 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.962 19.682 -10.282 1.00 0.00 C ATOM 1178 NE ARG A 78 -5.901 20.050 -11.338 1.00 0.00 N ATOM 1179 CZ ARG A 78 -5.529 20.375 -12.571 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.245 20.379 -12.901 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -6.443 20.698 -13.478 1.00 0.00 N ATOM 0 H ARG A 78 -4.961 15.895 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.349 17.525 -9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.174 18.106 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.046 19.312 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.068 17.957 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.436 19.417 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.542 20.585 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.132 19.122 -10.714 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.897 20.058 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.539 20.132 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.963 20.629 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.432 20.697 -13.228 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.156 20.947 -14.425 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.529 16.555 -6.571 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.424 16.453 -5.626 1.00 0.00 C ATOM 1197 C GLU A 79 -0.596 15.199 -5.889 1.00 0.00 C ATOM 1198 O GLU A 79 0.618 15.272 -6.082 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.952 16.437 -4.190 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.394 17.801 -3.688 1.00 0.00 C ATOM 1201 CD GLU A 79 -1.252 18.602 -3.092 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.336 17.986 -2.509 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -1.276 19.845 -3.210 1.00 0.00 O ATOM 0 H GLU A 79 -3.351 16.005 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.783 17.325 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.793 15.747 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.175 16.051 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.835 18.362 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.173 17.672 -2.937 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.261 14.049 -5.896 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.587 12.777 -6.134 1.00 0.00 C ATOM 1212 C PHE A 80 -0.488 12.486 -7.629 1.00 0.00 C ATOM 1213 O PHE A 80 0.374 11.726 -8.068 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.333 11.641 -5.430 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.604 11.912 -3.978 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.583 12.315 -3.132 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.879 11.763 -3.458 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.829 12.564 -1.795 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.132 12.010 -2.122 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.106 12.412 -1.290 1.00 0.00 C ATOM 0 H PHE A 80 -2.266 13.971 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 80 0.422 12.847 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.279 11.466 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.750 10.725 -5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.417 12.436 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.685 11.450 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.024 12.877 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.131 11.889 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.301 12.607 -0.246 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.378 13.097 -8.405 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.374 12.891 -9.842 1.00 0.00 C ATOM 1232 C GLY A 81 -1.888 11.519 -10.232 1.00 0.00 C ATOM 1233 O GLY A 81 -1.467 10.956 -11.243 1.00 0.00 O ATOM 0 H GLY A 81 -2.101 13.731 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.989 13.655 -10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.360 13.017 -10.221 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.798 10.979 -9.428 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.368 9.665 -9.695 1.00 0.00 C ATOM 1239 C ILE A 82 -4.750 9.783 -10.330 1.00 0.00 C ATOM 1240 O ILE A 82 -5.674 10.364 -9.760 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.478 8.827 -8.407 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.132 8.792 -7.679 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.947 7.417 -8.731 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.195 8.119 -6.326 1.00 0.00 C ATOM 0 H ILE A 82 -3.156 11.431 -8.587 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.693 9.164 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.213 9.292 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.405 8.271 -8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.770 9.812 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.020 6.837 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.925 7.460 -9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.233 6.942 -9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.206 8.130 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.898 8.653 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.527 7.088 -6.448 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.896 9.219 -11.538 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.162 9.246 -12.276 1.00 0.00 C ATOM 1258 C PRO A 83 -7.229 8.370 -11.629 1.00 0.00 C ATOM 1259 O PRO A 83 -7.031 7.176 -11.400 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.781 8.697 -13.653 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.579 7.853 -13.405 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.837 8.511 -12.276 1.00 0.00 C ATOM 0 HA PRO A 83 -6.596 10.246 -12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.593 8.112 -14.085 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.561 9.503 -14.353 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.865 6.834 -13.143 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.956 7.790 -14.297 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.330 7.779 -11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.075 9.198 -12.643 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.388 8.973 -11.327 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.510 8.265 -10.703 1.00 0.00 C ATOM 1272 C PRO A 84 -10.164 7.266 -11.651 1.00 0.00 C ATOM 1273 O PRO A 84 -10.288 7.521 -12.849 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.488 9.389 -10.352 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.173 10.480 -11.317 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.693 10.393 -11.571 1.00 0.00 C ATOM 0 HA PRO A 84 -9.192 7.675 -9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.522 9.059 -10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.356 9.721 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.736 10.357 -12.242 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.442 11.453 -10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.442 10.689 -12.590 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.131 11.045 -10.902 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.583 6.127 -11.107 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.226 5.090 -11.905 1.00 0.00 C ATOM 1286 C VAL A 85 -12.692 5.422 -12.158 1.00 0.00 C ATOM 1287 O VAL A 85 -13.254 5.059 -13.192 1.00 0.00 O ATOM 1288 CB VAL A 85 -11.134 3.715 -11.217 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.682 3.284 -11.078 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.820 3.752 -9.860 1.00 0.00 C ATOM 0 H VAL A 85 -10.488 5.900 -10.117 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.696 5.048 -12.857 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.648 2.982 -11.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.637 2.311 -10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.226 3.216 -12.066 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.141 4.016 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.746 2.772 -9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.337 4.497 -9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.870 4.013 -9.990 1.00 0.00 H new ATOM 1300 N THR A 86 -13.309 6.117 -11.207 1.00 0.00 N ATOM 1301 CA THR A 86 -14.711 6.498 -11.326 1.00 0.00 C ATOM 1302 C THR A 86 -14.933 7.930 -10.853 1.00 0.00 C ATOM 1303 O THR A 86 -14.134 8.475 -10.090 1.00 0.00 O ATOM 1304 CB THR A 86 -15.620 5.555 -10.516 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.988 5.956 -10.652 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.230 5.557 -9.046 1.00 0.00 C ATOM 0 H THR A 86 -12.859 6.427 -10.346 1.00 0.00 H new ATOM 0 HA THR A 86 -14.971 6.422 -12.382 1.00 0.00 H new ATOM 0 HB THR A 86 -15.497 4.545 -10.907 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.559 5.350 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.886 4.884 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.198 5.223 -8.943 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.326 6.566 -8.645 1.00 0.00 H new ATOM 1314 N THR A 87 -16.024 8.536 -11.310 1.00 0.00 N ATOM 1315 CA THR A 87 -16.352 9.906 -10.934 1.00 0.00 C ATOM 1316 C THR A 87 -17.337 9.936 -9.771 1.00 0.00 C ATOM 1317 O THR A 87 -18.275 9.142 -9.718 1.00 0.00 O ATOM 1318 CB THR A 87 -16.951 10.686 -12.120 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.193 10.095 -12.518 1.00 0.00 O ATOM 1320 CG2 THR A 87 -15.990 10.701 -13.299 1.00 0.00 C ATOM 0 H THR A 87 -16.696 8.100 -11.941 1.00 0.00 H new ATOM 0 HA THR A 87 -15.420 10.382 -10.629 1.00 0.00 H new ATOM 0 HB THR A 87 -17.124 11.713 -11.800 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.568 10.598 -13.271 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.435 11.257 -14.124 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.056 11.178 -13.001 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.789 9.678 -13.618 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.118 10.860 -8.840 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.995 10.977 -7.690 1.00 0.00 C ATOM 1330 C GLY A 88 -19.445 10.706 -8.038 1.00 0.00 C ATOM 1331 O GLY A 88 -20.124 9.941 -7.352 1.00 0.00 O ATOM 0 H GLY A 88 -16.349 11.529 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.673 10.278 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.906 11.979 -7.270 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.924 11.336 -9.105 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.303 11.161 -9.543 1.00 0.00 C ATOM 1337 C LYS A 89 -21.674 9.682 -9.595 1.00 0.00 C ATOM 1338 O LYS A 89 -22.678 9.264 -9.019 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.508 11.797 -10.920 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.786 13.289 -10.865 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.274 13.574 -10.744 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.539 15.047 -10.470 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.973 15.397 -10.661 1.00 0.00 N ATOM 0 H LYS A 89 -19.376 11.973 -9.683 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.952 11.656 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.619 11.624 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.338 11.299 -11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.260 13.727 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.395 13.766 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.778 13.277 -11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.697 12.971 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.240 15.286 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.925 15.656 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.113 16.409 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -25.253 15.193 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.557 14.834 -10.010 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.856 8.895 -10.287 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.099 7.463 -10.412 1.00 0.00 C ATOM 1359 C GLU A 90 -20.870 6.754 -9.081 1.00 0.00 C ATOM 1360 O GLU A 90 -21.643 5.879 -8.690 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.190 6.861 -11.486 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.345 5.357 -11.641 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.684 4.968 -12.238 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.723 5.385 -11.686 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -21.692 4.245 -13.257 1.00 0.00 O ATOM 0 H GLU A 90 -20.020 9.225 -10.769 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.139 7.321 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.404 7.340 -12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.152 7.088 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.544 4.976 -12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.234 4.881 -10.667 1.00 0.00 H new ATOM 1372 N MET A 91 -19.803 7.138 -8.388 1.00 0.00 N ATOM 1373 CA MET A 91 -19.472 6.540 -7.100 1.00 0.00 C ATOM 1374 C MET A 91 -20.700 6.484 -6.196 1.00 0.00 C ATOM 1375 O MET A 91 -20.912 5.504 -5.482 1.00 0.00 O ATOM 1376 CB MET A 91 -18.357 7.333 -6.417 1.00 0.00 C ATOM 1377 CG MET A 91 -17.632 6.551 -5.333 1.00 0.00 C ATOM 1378 SD MET A 91 -16.698 5.156 -5.990 1.00 0.00 S ATOM 1379 CE MET A 91 -16.894 3.964 -4.667 1.00 0.00 C ATOM 0 H MET A 91 -19.153 7.861 -8.697 1.00 0.00 H new ATOM 0 HA MET A 91 -19.126 5.522 -7.278 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.635 7.651 -7.169 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.781 8.237 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.954 7.218 -4.800 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.358 6.187 -4.606 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.661 2.966 -5.039 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.218 4.214 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 91 -17.923 3.986 -4.307 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.503 7.541 -6.231 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.710 7.611 -5.416 1.00 0.00 C ATOM 1391 C ALA A 92 -23.893 6.965 -6.129 1.00 0.00 C ATOM 1392 O ALA A 92 -24.714 6.294 -5.506 1.00 0.00 O ATOM 1393 CB ALA A 92 -23.028 9.057 -5.066 1.00 0.00 C ATOM 0 H ALA A 92 -21.340 8.361 -6.815 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.528 7.057 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.932 9.094 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.197 9.488 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.184 9.627 -5.982 1.00 0.00 H new ATOM 1399 N SER A 93 -23.973 7.173 -7.439 1.00 0.00 N ATOM 1400 CA SER A 93 -25.058 6.615 -8.237 1.00 0.00 C ATOM 1401 C SER A 93 -25.023 5.090 -8.210 1.00 0.00 C ATOM 1402 O SER A 93 -25.962 4.444 -7.746 1.00 0.00 O ATOM 1403 CB SER A 93 -24.967 7.113 -9.681 1.00 0.00 C ATOM 1404 OG SER A 93 -26.243 7.128 -10.297 1.00 0.00 O ATOM 0 H SER A 93 -23.299 7.724 -7.970 1.00 0.00 H new ATOM 0 HA SER A 93 -26.002 6.948 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.540 8.116 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.293 6.471 -10.249 1.00 0.00 H new ATOM 0 HG SER A 93 -26.158 7.452 -11.218 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.932 4.520 -8.712 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.772 3.072 -8.744 1.00 0.00 C ATOM 1412 C ALA A 94 -24.057 2.458 -7.378 1.00 0.00 C ATOM 1413 O ALA A 94 -23.307 2.667 -6.425 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.369 2.706 -9.207 1.00 0.00 C ATOM 0 H ALA A 94 -23.146 5.040 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.494 2.667 -9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.264 1.621 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.200 3.105 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.637 3.130 -8.519 1.00 0.00 H new ATOM 1420 N GLN A 95 -25.146 1.700 -7.290 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.530 1.057 -6.040 1.00 0.00 C ATOM 1422 C GLN A 95 -24.318 0.444 -5.347 1.00 0.00 C ATOM 1423 O GLN A 95 -24.014 0.772 -4.201 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.584 -0.021 -6.299 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.020 -0.760 -5.043 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.670 0.155 -4.024 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.216 1.203 -4.372 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -27.614 -0.236 -2.757 1.00 0.00 N ATOM 0 H GLN A 95 -25.777 1.517 -8.070 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.953 1.819 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -27.457 0.440 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.187 -0.741 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.720 -1.550 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -26.154 -1.244 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.152 -1.112 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.033 0.339 -2.027 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.628 -0.448 -6.052 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.449 -1.107 -5.504 1.00 0.00 C ATOM 1439 C GLU A 96 -21.318 -1.140 -6.528 1.00 0.00 C ATOM 1440 O GLU A 96 -21.413 -1.781 -7.575 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.793 -2.531 -5.061 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.637 -3.256 -4.392 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.046 -4.598 -3.816 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -21.968 -5.606 -4.550 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.443 -4.641 -2.634 1.00 0.00 O ATOM 0 H GLU A 96 -23.866 -0.730 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.115 -0.536 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.636 -2.494 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.117 -3.105 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.837 -3.405 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.233 -2.631 -3.596 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.221 -0.432 -6.221 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.051 -0.363 -7.101 1.00 0.00 C ATOM 1454 C PRO A 97 -18.297 -1.687 -7.167 1.00 0.00 C ATOM 1455 O PRO A 97 -18.614 -2.630 -6.442 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.181 0.716 -6.452 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.577 0.707 -5.016 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.039 0.356 -4.991 1.00 0.00 C ATOM 0 HA PRO A 97 -19.329 -0.142 -8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.120 0.495 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.356 1.692 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.991 -0.021 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.401 1.680 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.299 -0.220 -4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.666 1.247 -4.988 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.298 -1.751 -8.041 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.498 -2.959 -8.200 1.00 0.00 C ATOM 1468 C ASP A 98 -15.463 -3.077 -7.085 1.00 0.00 C ATOM 1469 O ASP A 98 -14.697 -2.146 -6.834 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.801 -2.960 -9.562 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.774 -2.772 -10.710 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.170 -1.617 -10.969 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.138 -3.781 -11.349 1.00 0.00 O ATOM 0 H ASP A 98 -17.023 -0.980 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.167 -3.818 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.056 -2.164 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.267 -3.901 -9.693 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.447 -4.226 -6.418 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.507 -4.466 -5.330 1.00 0.00 C ATOM 1480 C LYS A 99 -13.067 -4.373 -5.824 1.00 0.00 C ATOM 1481 O LYS A 99 -12.224 -3.734 -5.195 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.756 -5.842 -4.708 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.084 -6.031 -3.359 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.178 -7.472 -2.886 1.00 0.00 C ATOM 1485 CE LYS A 99 -15.600 -7.835 -2.486 1.00 0.00 C ATOM 1486 NZ LYS A 99 -15.936 -7.341 -1.122 1.00 0.00 N ATOM 0 H LYS A 99 -16.075 -5.006 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.663 -3.698 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.830 -5.991 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.399 -6.611 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.037 -5.738 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.550 -5.375 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.840 -8.139 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.511 -7.622 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.299 -7.413 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.722 -8.918 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.913 -7.609 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.285 -7.764 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.845 -6.305 -1.096 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.792 -5.014 -6.955 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.454 -5.002 -7.535 1.00 0.00 C ATOM 1502 C LEU A 100 -11.007 -3.577 -7.844 1.00 0.00 C ATOM 1503 O LEU A 100 -10.068 -3.065 -7.235 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.422 -5.847 -8.810 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.076 -7.325 -8.628 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -12.324 -8.129 -8.297 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -10.402 -7.873 -9.878 1.00 0.00 C ATOM 0 H LEU A 100 -13.478 -5.548 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.765 -5.429 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.398 -5.780 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.698 -5.407 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.379 -7.415 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.058 -9.178 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.765 -7.753 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.045 -8.032 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.163 -8.926 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.075 -7.770 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.485 -7.316 -10.071 1.00 0.00 H new ATOM 1519 N SER A 101 -11.687 -2.942 -8.793 1.00 0.00 N ATOM 1520 CA SER A 101 -11.359 -1.576 -9.185 1.00 0.00 C ATOM 1521 C SER A 101 -11.027 -0.726 -7.962 1.00 0.00 C ATOM 1522 O SER A 101 -10.069 0.048 -7.972 1.00 0.00 O ATOM 1523 CB SER A 101 -12.523 -0.950 -9.955 1.00 0.00 C ATOM 1524 OG SER A 101 -12.106 0.209 -10.655 1.00 0.00 O ATOM 0 H SER A 101 -12.469 -3.351 -9.305 1.00 0.00 H new ATOM 0 HA SER A 101 -10.482 -1.610 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.931 -1.676 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.324 -0.692 -9.263 1.00 0.00 H new ATOM 0 HG SER A 101 -12.867 0.590 -11.140 1.00 0.00 H new ATOM 1530 N MET A 102 -11.826 -0.875 -6.911 1.00 0.00 N ATOM 1531 CA MET A 102 -11.617 -0.122 -5.679 1.00 0.00 C ATOM 1532 C MET A 102 -10.323 -0.549 -4.994 1.00 0.00 C ATOM 1533 O MET A 102 -9.463 0.281 -4.696 1.00 0.00 O ATOM 1534 CB MET A 102 -12.799 -0.319 -4.729 1.00 0.00 C ATOM 1535 CG MET A 102 -13.990 0.571 -5.048 1.00 0.00 C ATOM 1536 SD MET A 102 -13.563 2.323 -5.064 1.00 0.00 S ATOM 1537 CE MET A 102 -12.727 2.482 -3.488 1.00 0.00 C ATOM 0 H MET A 102 -12.624 -1.510 -6.887 1.00 0.00 H new ATOM 0 HA MET A 102 -11.540 0.934 -5.937 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.115 -1.362 -4.766 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.471 -0.121 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.398 0.291 -6.019 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.775 0.399 -4.311 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.575 3.537 -3.261 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.335 2.027 -2.706 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.761 1.979 -3.536 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.190 -1.848 -4.746 1.00 0.00 N ATOM 1548 CA VAL A 103 -9.000 -2.385 -4.097 1.00 0.00 C ATOM 1549 C VAL A 103 -7.732 -1.930 -4.810 1.00 0.00 C ATOM 1550 O VAL A 103 -6.782 -1.472 -4.176 1.00 0.00 O ATOM 1551 CB VAL A 103 -9.029 -3.925 -4.057 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.760 -4.466 -3.416 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -10.262 -4.415 -3.313 1.00 0.00 C ATOM 0 H VAL A 103 -10.892 -2.548 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.996 -2.002 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.078 -4.297 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.798 -5.555 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.894 -4.144 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.677 -4.087 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.266 -5.505 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.246 -4.035 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.159 -4.057 -3.819 1.00 0.00 H new ATOM 1563 N MET A 104 -7.724 -2.059 -6.132 1.00 0.00 N ATOM 1564 CA MET A 104 -6.573 -1.659 -6.933 1.00 0.00 C ATOM 1565 C MET A 104 -6.286 -0.170 -6.766 1.00 0.00 C ATOM 1566 O MET A 104 -5.130 0.243 -6.675 1.00 0.00 O ATOM 1567 CB MET A 104 -6.813 -1.983 -8.409 1.00 0.00 C ATOM 1568 CG MET A 104 -8.025 -1.278 -8.996 1.00 0.00 C ATOM 1569 SD MET A 104 -8.079 -1.371 -10.795 1.00 0.00 S ATOM 1570 CE MET A 104 -8.685 -3.040 -11.030 1.00 0.00 C ATOM 0 H MET A 104 -8.502 -2.438 -6.672 1.00 0.00 H new ATOM 0 HA MET A 104 -5.706 -2.219 -6.583 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.928 -1.705 -8.982 1.00 0.00 H new ATOM 0 HB3 MET A 104 -6.940 -3.060 -8.520 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.932 -1.721 -8.586 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.015 -0.232 -8.690 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.045 -3.563 -11.741 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.676 -3.568 -10.077 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.704 -3.006 -11.416 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.345 0.631 -6.729 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.207 2.074 -6.577 1.00 0.00 C ATOM 1582 C TYR A 105 -6.641 2.426 -5.204 1.00 0.00 C ATOM 1583 O TYR A 105 -5.599 3.073 -5.096 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.559 2.761 -6.774 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.462 4.264 -6.902 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.052 4.854 -8.092 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.778 5.095 -5.835 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.961 6.227 -8.214 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.692 6.469 -5.948 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.282 7.030 -7.140 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.193 8.399 -7.256 1.00 0.00 O ATOM 0 H TYR A 105 -8.309 0.305 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.512 2.428 -7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.034 2.359 -7.669 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.207 2.518 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.800 4.228 -8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.097 4.659 -4.900 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.640 6.669 -9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.944 7.100 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.455 8.817 -6.409 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.335 1.993 -4.157 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.903 2.260 -2.790 1.00 0.00 C ATOM 1603 C LEU A 106 -5.436 1.886 -2.599 1.00 0.00 C ATOM 1604 O LEU A 106 -4.644 2.679 -2.090 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.772 1.484 -1.799 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.278 1.733 -1.888 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -10.036 0.740 -1.020 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.607 3.161 -1.479 1.00 0.00 C ATOM 0 H LEU A 106 -8.199 1.456 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.014 3.328 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.591 0.419 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.443 1.728 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.590 1.591 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.106 0.933 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.825 -0.274 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.721 0.849 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.683 3.321 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.280 3.330 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.094 3.857 -2.142 1.00 0.00 H new ATOM 1620 N SER A 107 -5.081 0.674 -3.014 1.00 0.00 N ATOM 1621 CA SER A 107 -3.710 0.194 -2.887 1.00 0.00 C ATOM 1622 C SER A 107 -2.715 1.286 -3.266 1.00 0.00 C ATOM 1623 O SER A 107 -1.648 1.407 -2.663 1.00 0.00 O ATOM 1624 CB SER A 107 -3.495 -1.037 -3.770 1.00 0.00 C ATOM 1625 OG SER A 107 -2.363 -1.776 -3.347 1.00 0.00 O ATOM 0 H SER A 107 -5.724 0.007 -3.441 1.00 0.00 H new ATOM 0 HA SER A 107 -3.542 -0.081 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.381 -1.672 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.364 -0.727 -4.807 1.00 0.00 H new ATOM 0 HG SER A 107 -2.248 -2.558 -3.926 1.00 0.00 H new ATOM 1631 N LYS A 108 -3.072 2.080 -4.270 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.213 3.164 -4.731 1.00 0.00 C ATOM 1633 C LYS A 108 -1.836 4.088 -3.577 1.00 0.00 C ATOM 1634 O LYS A 108 -0.676 4.472 -3.430 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.913 3.965 -5.832 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.216 3.150 -7.077 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.268 4.026 -8.318 1.00 0.00 C ATOM 1638 CE LYS A 108 -1.879 4.269 -8.887 1.00 0.00 C ATOM 1639 NZ LYS A 108 -1.936 4.800 -10.278 1.00 0.00 N ATOM 0 H LYS A 108 -3.951 1.993 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.301 2.724 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.845 4.371 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.286 4.814 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.453 2.382 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.169 2.636 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.894 3.551 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.734 4.980 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.344 4.974 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.314 3.337 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.307 4.241 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.911 4.736 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.630 5.794 -10.283 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.824 4.441 -2.761 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.596 5.320 -1.620 1.00 0.00 C ATOM 1655 C PHE A 109 -1.943 4.559 -0.470 1.00 0.00 C ATOM 1656 O PHE A 109 -0.999 5.045 0.154 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.915 5.938 -1.154 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.551 6.836 -2.177 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.820 7.844 -2.783 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.880 6.670 -2.531 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.403 8.671 -3.725 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.468 7.494 -3.473 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.729 8.496 -4.070 1.00 0.00 C ATOM 0 H PHE A 109 -3.790 4.132 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.922 6.116 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.612 5.139 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.738 6.508 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.783 7.986 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.463 5.889 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.822 9.453 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.505 7.354 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.187 9.141 -4.805 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.453 3.364 -0.195 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.922 2.536 0.882 1.00 0.00 C ATOM 1675 C TYR A 110 -0.397 2.538 0.870 1.00 0.00 C ATOM 1676 O TYR A 110 0.241 2.928 1.847 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.442 1.103 0.756 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.575 0.080 1.454 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.380 0.129 2.829 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.950 -0.934 0.739 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.588 -0.803 3.471 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -0.157 -1.871 1.373 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.021 -1.801 2.739 1.00 0.00 C ATOM 1684 OH TYR A 110 0.811 -2.732 3.375 1.00 0.00 O ATOM 0 H TYR A 110 -3.233 2.947 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.260 2.956 1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.450 1.054 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.516 0.844 -0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.856 0.909 3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.086 -0.991 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.446 -0.751 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.321 -2.654 0.802 1.00 0.00 H new ATOM 0 HH TYR A 110 1.164 -3.366 2.716 1.00 0.00 H new ATOM 1694 N GLU A 111 0.180 2.100 -0.245 1.00 0.00 N ATOM 1695 CA GLU A 111 1.631 2.051 -0.384 1.00 0.00 C ATOM 1696 C GLU A 111 2.220 3.458 -0.439 1.00 0.00 C ATOM 1697 O GLU A 111 3.239 3.742 0.193 1.00 0.00 O ATOM 1698 CB GLU A 111 2.018 1.275 -1.645 1.00 0.00 C ATOM 1699 CG GLU A 111 1.703 -0.209 -1.566 1.00 0.00 C ATOM 1700 CD GLU A 111 2.662 -1.053 -2.385 1.00 0.00 C ATOM 1701 OE1 GLU A 111 3.858 -1.103 -2.032 1.00 0.00 O ATOM 1702 OE2 GLU A 111 2.214 -1.663 -3.378 1.00 0.00 O ATOM 0 H GLU A 111 -0.334 1.775 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 111 2.037 1.539 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.496 1.704 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.085 1.402 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.741 -0.530 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.685 -0.380 -1.916 1.00 0.00 H new ATOM 1709 N LEU A 112 1.573 4.335 -1.198 1.00 0.00 N ATOM 1710 CA LEU A 112 2.031 5.713 -1.337 1.00 0.00 C ATOM 1711 C LEU A 112 2.438 6.290 0.015 1.00 0.00 C ATOM 1712 O LEU A 112 3.494 6.909 0.145 1.00 0.00 O ATOM 1713 CB LEU A 112 0.935 6.576 -1.963 1.00 0.00 C ATOM 1714 CG LEU A 112 1.208 8.079 -2.010 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.167 8.413 -3.142 1.00 0.00 C ATOM 1716 CD2 LEU A 112 -0.093 8.854 -2.165 1.00 0.00 C ATOM 0 H LEU A 112 0.729 4.116 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 112 2.903 5.715 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.763 6.227 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.011 6.412 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 112 1.673 8.373 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.349 9.488 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.109 7.888 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.731 8.104 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.121 9.922 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.586 8.555 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.747 8.640 -1.320 1.00 0.00 H new ATOM 1728 N PHE A 113 1.595 6.080 1.020 1.00 0.00 N ATOM 1729 CA PHE A 113 1.867 6.578 2.364 1.00 0.00 C ATOM 1730 C PHE A 113 2.581 5.521 3.201 1.00 0.00 C ATOM 1731 O PHE A 113 3.627 5.786 3.793 1.00 0.00 O ATOM 1732 CB PHE A 113 0.564 6.995 3.050 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.211 8.030 2.286 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.260 9.329 2.180 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.411 7.705 1.674 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.452 10.283 1.479 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.127 8.655 0.971 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.646 9.946 0.873 1.00 0.00 C ATOM 0 H PHE A 113 0.717 5.568 0.930 1.00 0.00 H new ATOM 0 HA PHE A 113 2.518 7.448 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.062 6.114 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.793 7.383 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.194 9.598 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.791 6.697 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.075 11.292 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.061 8.388 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.203 10.691 0.323 1.00 0.00 H new ATOM 1748 N ARG A 114 2.007 4.324 3.246 1.00 0.00 N ATOM 1749 CA ARG A 114 2.586 3.227 4.012 1.00 0.00 C ATOM 1750 C ARG A 114 4.027 2.966 3.583 1.00 0.00 C ATOM 1751 O ARG A 114 4.961 3.153 4.362 1.00 0.00 O ATOM 1752 CB ARG A 114 1.752 1.957 3.836 1.00 0.00 C ATOM 1753 CG ARG A 114 2.137 0.838 4.790 1.00 0.00 C ATOM 1754 CD ARG A 114 3.235 -0.038 4.206 1.00 0.00 C ATOM 1755 NE ARG A 114 3.972 -0.756 5.243 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.716 -0.155 6.165 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.820 1.167 6.179 1.00 0.00 N ATOM 1758 NH2 ARG A 114 5.356 -0.876 7.076 1.00 0.00 N ATOM 0 H ARG A 114 1.141 4.089 2.761 1.00 0.00 H new ATOM 0 HA ARG A 114 2.584 3.511 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.700 2.201 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.858 1.602 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.474 1.264 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.261 0.228 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.796 -0.754 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.926 0.580 3.633 1.00 0.00 H new ATOM 0 HE ARG A 114 3.912 -1.774 5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.328 1.725 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.392 1.626 6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.277 -1.893 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.927 -0.414 7.783 1.00 0.00 H new