USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 14 ASN : amide:sc= -0.348 K(o=-0.35,f=-0.85) USER MOD Set 1.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.251 X(o=0.25,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00086 X(o=-0.00086,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 0.804 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0.0155 (180deg=0.000254) USER MOD Single : A 38 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.2) USER MOD Single : A 43 THR OG1 : rot -79:sc= -0.362 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 54 SER OG : rot 30:sc= 1.22 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0697 USER MOD Single : A 57 GLN : amide:sc= -3.16 K(o=-3.2,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.209 (180deg=-1.08) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -116:sc= -0.72 (180deg=-3.64!) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0567 USER MOD Single : A 71 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.829 USER MOD Single : A 80 SER OG : rot -16:sc= 0.667 USER MOD Single : A 84 MET CE :methyl 174:sc= -0.599 (180deg=-0.646) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 136:sc= -0.989 USER MOD Single : A 94 ASN : amide:sc= -0.0713 K(o=-0.071,f=-1.2) USER MOD Single : A 95 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.278 4.029 8.734 1.00 0.00 N ATOM 149 CA ALA A 13 -6.866 4.320 8.949 1.00 0.00 C ATOM 150 C ALA A 13 -6.667 5.755 9.425 1.00 0.00 C ATOM 151 O ALA A 13 -7.597 6.560 9.407 1.00 0.00 O ATOM 152 CB ALA A 13 -6.077 4.071 7.672 1.00 0.00 C ATOM 0 HA ALA A 13 -6.497 3.653 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.024 4.292 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.185 3.028 7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.457 4.715 6.878 1.00 0.00 H new ATOM 158 N ASN A 14 -5.447 6.066 9.849 1.00 0.00 N ATOM 159 CA ASN A 14 -5.123 7.405 10.331 1.00 0.00 C ATOM 160 C ASN A 14 -4.021 8.035 9.485 1.00 0.00 C ATOM 161 O ASN A 14 -4.082 9.218 9.150 1.00 0.00 O ATOM 162 CB ASN A 14 -4.688 7.351 11.797 1.00 0.00 C ATOM 163 CG ASN A 14 -3.509 6.425 12.016 1.00 0.00 C ATOM 164 OD1 ASN A 14 -2.354 6.831 11.889 1.00 0.00 O ATOM 165 ND2 ASN A 14 -3.794 5.170 12.347 1.00 0.00 N ATOM 0 H ASN A 14 -4.666 5.410 9.869 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.018 8.021 10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.426 8.354 12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.526 7.019 12.410 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.041 4.501 12.507 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.766 4.876 12.442 1.00 0.00 H new ATOM 172 N SER A 15 -3.014 7.238 9.146 1.00 0.00 N ATOM 173 CA SER A 15 -1.897 7.718 8.339 1.00 0.00 C ATOM 174 C SER A 15 -1.549 6.715 7.241 1.00 0.00 C ATOM 175 O SER A 15 -1.848 5.527 7.358 1.00 0.00 O ATOM 176 CB SER A 15 -0.675 7.968 9.224 1.00 0.00 C ATOM 177 OG SER A 15 -0.867 9.101 10.053 1.00 0.00 O ATOM 0 H SER A 15 -2.948 6.257 9.417 1.00 0.00 H new ATOM 0 HA SER A 15 -2.195 8.655 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.484 7.090 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.206 8.116 8.599 1.00 0.00 H new ATOM 0 HG SER A 15 -0.072 9.238 10.610 1.00 0.00 H new ATOM 183 N PRO A 16 -0.907 7.183 6.157 1.00 0.00 N ATOM 184 CA PRO A 16 -0.517 6.321 5.037 1.00 0.00 C ATOM 185 C PRO A 16 0.455 5.226 5.463 1.00 0.00 C ATOM 186 O PRO A 16 0.523 4.166 4.842 1.00 0.00 O ATOM 187 CB PRO A 16 0.159 7.283 4.051 1.00 0.00 C ATOM 188 CG PRO A 16 0.533 8.474 4.864 1.00 0.00 C ATOM 189 CD PRO A 16 -0.510 8.584 5.939 1.00 0.00 C ATOM 0 HA PRO A 16 -1.374 5.797 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.037 6.826 3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.517 7.556 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.527 8.356 5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.557 9.374 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.109 9.036 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.353 9.198 5.623 1.00 0.00 H new ATOM 197 N GLN A 17 1.205 5.489 6.529 1.00 0.00 N ATOM 198 CA GLN A 17 2.172 4.525 7.040 1.00 0.00 C ATOM 199 C GLN A 17 1.466 3.287 7.584 1.00 0.00 C ATOM 200 O GLN A 17 1.984 2.174 7.491 1.00 0.00 O ATOM 201 CB GLN A 17 3.028 5.160 8.136 1.00 0.00 C ATOM 202 CG GLN A 17 3.825 6.365 7.665 1.00 0.00 C ATOM 203 CD GLN A 17 4.129 7.339 8.787 1.00 0.00 C ATOM 204 OE1 GLN A 17 5.190 7.278 9.407 1.00 0.00 O ATOM 205 NE2 GLN A 17 3.195 8.244 9.054 1.00 0.00 N ATOM 0 H GLN A 17 1.161 6.362 7.055 1.00 0.00 H new ATOM 0 HA GLN A 17 2.818 4.223 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.382 5.462 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.716 4.411 8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.760 6.026 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.268 6.881 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.330 8.258 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.343 8.925 9.799 1.00 0.00 H new ATOM 214 N GLU A 18 0.281 3.489 8.151 1.00 0.00 N ATOM 215 CA GLU A 18 -0.497 2.389 8.709 1.00 0.00 C ATOM 216 C GLU A 18 -1.282 1.669 7.618 1.00 0.00 C ATOM 217 O GLU A 18 -1.275 0.441 7.543 1.00 0.00 O ATOM 218 CB GLU A 18 -1.456 2.910 9.783 1.00 0.00 C ATOM 219 CG GLU A 18 -1.935 1.834 10.744 1.00 0.00 C ATOM 220 CD GLU A 18 -1.118 1.788 12.020 1.00 0.00 C ATOM 221 OE1 GLU A 18 0.126 1.719 11.927 1.00 0.00 O ATOM 222 OE2 GLU A 18 -1.721 1.819 13.113 1.00 0.00 O ATOM 0 H GLU A 18 -0.161 4.404 8.236 1.00 0.00 H new ATOM 0 HA GLU A 18 0.196 1.679 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.960 3.697 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.320 3.363 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.981 2.013 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.887 0.863 10.251 1.00 0.00 H new ATOM 229 N ALA A 19 -1.959 2.442 6.774 1.00 0.00 N ATOM 230 CA ALA A 19 -2.748 1.878 5.687 1.00 0.00 C ATOM 231 C ALA A 19 -1.876 1.056 4.745 1.00 0.00 C ATOM 232 O ALA A 19 -2.330 0.071 4.163 1.00 0.00 O ATOM 233 CB ALA A 19 -3.458 2.985 4.922 1.00 0.00 C ATOM 0 H ALA A 19 -1.976 3.461 6.823 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.495 1.213 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.044 2.550 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.119 3.528 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.720 3.672 4.507 1.00 0.00 H new ATOM 239 N LEU A 20 -0.621 1.469 4.598 1.00 0.00 N ATOM 240 CA LEU A 20 0.315 0.771 3.725 1.00 0.00 C ATOM 241 C LEU A 20 0.758 -0.549 4.349 1.00 0.00 C ATOM 242 O LEU A 20 1.012 -1.526 3.643 1.00 0.00 O ATOM 243 CB LEU A 20 1.535 1.650 3.444 1.00 0.00 C ATOM 244 CG LEU A 20 2.567 1.039 2.495 1.00 0.00 C ATOM 245 CD1 LEU A 20 2.177 1.293 1.047 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.951 1.601 2.782 1.00 0.00 C ATOM 0 H LEU A 20 -0.229 2.283 5.072 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.194 0.556 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.193 2.596 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.025 1.879 4.390 1.00 0.00 H new ATOM 0 HG LEU A 20 2.592 -0.038 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.923 0.851 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.204 0.843 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.124 2.367 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.674 1.156 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.940 2.682 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.232 1.368 3.809 1.00 0.00 H new ATOM 258 N LEU A 21 0.847 -0.571 5.674 1.00 0.00 N ATOM 259 CA LEU A 21 1.258 -1.771 6.392 1.00 0.00 C ATOM 260 C LEU A 21 0.089 -2.739 6.548 1.00 0.00 C ATOM 261 O LEU A 21 0.277 -3.955 6.573 1.00 0.00 O ATOM 262 CB LEU A 21 1.816 -1.402 7.769 1.00 0.00 C ATOM 263 CG LEU A 21 2.379 -2.573 8.574 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.641 -3.113 7.920 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.658 -2.147 10.008 1.00 0.00 C ATOM 0 H LEU A 21 0.640 0.229 6.272 1.00 0.00 H new ATOM 0 HA LEU A 21 2.039 -2.262 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.603 -0.659 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.024 -0.929 8.350 1.00 0.00 H new ATOM 0 HG LEU A 21 1.635 -3.370 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.027 -3.946 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.410 -3.456 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.392 -2.324 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.058 -2.993 10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.383 -1.333 10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.732 -1.809 10.474 1.00 0.00 H new ATOM 277 N TRP A 22 -1.116 -2.190 6.650 1.00 0.00 N ATOM 278 CA TRP A 22 -2.316 -3.004 6.801 1.00 0.00 C ATOM 279 C TRP A 22 -2.654 -3.725 5.500 1.00 0.00 C ATOM 280 O TRP A 22 -3.201 -4.827 5.514 1.00 0.00 O ATOM 281 CB TRP A 22 -3.497 -2.133 7.238 1.00 0.00 C ATOM 282 CG TRP A 22 -4.652 -2.921 7.773 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.802 -3.395 9.045 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.819 -3.330 7.051 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.992 -4.072 9.158 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.635 -4.046 7.948 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.255 -3.159 5.734 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.860 -4.591 7.569 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.472 -3.699 5.359 1.00 0.00 C ATOM 290 CH2 TRP A 22 -8.262 -4.407 6.274 1.00 0.00 C ATOM 0 H TRP A 22 -1.288 -1.185 6.631 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.122 -3.753 7.569 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.159 -1.433 8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.834 -1.539 6.389 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.089 -3.258 9.845 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.340 -4.521 10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.652 -2.615 5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.470 -5.139 8.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.819 -3.573 4.344 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.208 -4.816 5.951 1.00 0.00 H new ATOM 301 N ALA A 23 -2.326 -3.092 4.378 1.00 0.00 N ATOM 302 CA ALA A 23 -2.595 -3.672 3.068 1.00 0.00 C ATOM 303 C ALA A 23 -1.740 -4.911 2.829 1.00 0.00 C ATOM 304 O ALA A 23 -2.239 -5.948 2.389 1.00 0.00 O ATOM 305 CB ALA A 23 -2.353 -2.642 1.975 1.00 0.00 C ATOM 0 H ALA A 23 -1.874 -2.178 4.350 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.642 -3.975 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.558 -3.089 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.012 -1.788 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.315 -2.310 2.011 1.00 0.00 H new ATOM 311 N LEU A 24 -0.447 -4.797 3.120 1.00 0.00 N ATOM 312 CA LEU A 24 0.478 -5.909 2.935 1.00 0.00 C ATOM 313 C LEU A 24 0.143 -7.060 3.878 1.00 0.00 C ATOM 314 O LEU A 24 0.369 -8.226 3.556 1.00 0.00 O ATOM 315 CB LEU A 24 1.918 -5.445 3.168 1.00 0.00 C ATOM 316 CG LEU A 24 2.408 -4.353 2.215 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.670 -3.702 2.756 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.654 -4.929 0.829 1.00 0.00 C ATOM 0 H LEU A 24 -0.017 -3.947 3.484 1.00 0.00 H new ATOM 0 HA LEU A 24 0.379 -6.265 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.005 -5.079 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.580 -6.306 3.080 1.00 0.00 H new ATOM 0 HG LEU A 24 1.635 -3.589 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.005 -2.928 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.461 -3.256 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.451 -4.455 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.002 -4.139 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.410 -5.712 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.727 -5.349 0.440 1.00 0.00 H new ATOM 330 N ASN A 25 -0.397 -6.724 5.045 1.00 0.00 N ATOM 331 CA ASN A 25 -0.763 -7.730 6.036 1.00 0.00 C ATOM 332 C ASN A 25 -1.953 -8.556 5.557 1.00 0.00 C ATOM 333 O ASN A 25 -2.088 -9.729 5.907 1.00 0.00 O ATOM 334 CB ASN A 25 -1.091 -7.063 7.374 1.00 0.00 C ATOM 335 CG ASN A 25 0.014 -7.245 8.396 1.00 0.00 C ATOM 336 OD1 ASN A 25 -0.002 -8.192 9.182 1.00 0.00 O ATOM 337 ND2 ASN A 25 0.981 -6.336 8.390 1.00 0.00 N ATOM 0 H ASN A 25 -0.591 -5.763 5.328 1.00 0.00 H new ATOM 0 HA ASN A 25 0.087 -8.398 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.263 -5.999 7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.018 -7.480 7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.751 -6.406 9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.954 -5.567 7.720 1.00 0.00 H new ATOM 344 N ASP A 26 -2.814 -7.937 4.756 1.00 0.00 N ATOM 345 CA ASP A 26 -3.993 -8.615 4.229 1.00 0.00 C ATOM 346 C ASP A 26 -3.623 -9.546 3.078 1.00 0.00 C ATOM 347 O ASP A 26 -4.326 -10.520 2.806 1.00 0.00 O ATOM 348 CB ASP A 26 -5.028 -7.590 3.760 1.00 0.00 C ATOM 349 CG ASP A 26 -6.448 -8.013 4.083 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.859 -9.103 3.634 1.00 0.00 O ATOM 351 OD2 ASP A 26 -7.147 -7.254 4.786 1.00 0.00 O ATOM 0 H ASP A 26 -2.717 -6.966 4.457 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.422 -9.216 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.822 -6.629 4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.931 -7.446 2.684 1.00 0.00 H new ATOM 356 N LEU A 27 -2.517 -9.242 2.404 1.00 0.00 N ATOM 357 CA LEU A 27 -2.057 -10.054 1.281 1.00 0.00 C ATOM 358 C LEU A 27 -1.885 -11.512 1.693 1.00 0.00 C ATOM 359 O LEU A 27 -1.858 -11.833 2.882 1.00 0.00 O ATOM 360 CB LEU A 27 -0.736 -9.506 0.737 1.00 0.00 C ATOM 361 CG LEU A 27 -0.874 -8.422 -0.332 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.487 -7.848 -0.689 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.562 -8.980 -1.570 1.00 0.00 C ATOM 0 H LEU A 27 -1.923 -8.440 2.616 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.814 -10.006 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.158 -9.103 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.161 -10.333 0.321 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.490 -7.617 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.369 -7.078 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.942 -7.412 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.128 -8.642 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.652 -8.195 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.972 -9.803 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.555 -9.342 -1.303 1.00 0.00 H new ATOM 375 N GLU A 28 -1.769 -12.392 0.704 1.00 0.00 N ATOM 376 CA GLU A 28 -1.599 -13.817 0.963 1.00 0.00 C ATOM 377 C GLU A 28 -0.155 -14.246 0.723 1.00 0.00 C ATOM 378 O GLU A 28 0.701 -13.424 0.394 1.00 0.00 O ATOM 379 CB GLU A 28 -2.541 -14.634 0.078 1.00 0.00 C ATOM 380 CG GLU A 28 -4.009 -14.462 0.430 1.00 0.00 C ATOM 381 CD GLU A 28 -4.470 -15.436 1.497 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.261 -16.655 1.319 1.00 0.00 O ATOM 383 OE2 GLU A 28 -5.040 -14.980 2.511 1.00 0.00 O ATOM 0 H GLU A 28 -1.790 -12.143 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.844 -14.002 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.389 -14.346 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.278 -15.689 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.179 -13.442 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.613 -14.599 -0.467 1.00 0.00 H new ATOM 390 N GLU A 29 0.108 -15.538 0.889 1.00 0.00 N ATOM 391 CA GLU A 29 1.448 -16.077 0.691 1.00 0.00 C ATOM 392 C GLU A 29 1.844 -16.032 -0.781 1.00 0.00 C ATOM 393 O GLU A 29 2.861 -15.439 -1.143 1.00 0.00 O ATOM 394 CB GLU A 29 1.522 -17.516 1.205 1.00 0.00 C ATOM 395 CG GLU A 29 2.940 -18.049 1.323 1.00 0.00 C ATOM 396 CD GLU A 29 3.130 -18.938 2.537 1.00 0.00 C ATOM 397 OE1 GLU A 29 3.062 -18.418 3.670 1.00 0.00 O ATOM 398 OE2 GLU A 29 3.346 -20.154 2.354 1.00 0.00 O ATOM 0 H GLU A 29 -0.589 -16.231 1.160 1.00 0.00 H new ATOM 0 HA GLU A 29 2.146 -15.458 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.041 -17.569 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.955 -18.162 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.189 -18.611 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.636 -17.212 1.378 1.00 0.00 H new ATOM 405 N ASN A 30 1.034 -16.662 -1.627 1.00 0.00 N ATOM 406 CA ASN A 30 1.301 -16.694 -3.061 1.00 0.00 C ATOM 407 C ASN A 30 1.364 -15.282 -3.637 1.00 0.00 C ATOM 408 O ASN A 30 2.075 -15.031 -4.610 1.00 0.00 O ATOM 409 CB ASN A 30 0.221 -17.504 -3.782 1.00 0.00 C ATOM 410 CG ASN A 30 0.651 -18.934 -4.045 1.00 0.00 C ATOM 411 OD1 ASN A 30 0.579 -19.419 -5.175 1.00 0.00 O ATOM 412 ND2 ASN A 30 1.101 -19.619 -3.000 1.00 0.00 N ATOM 0 H ASN A 30 0.188 -17.157 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 30 2.269 -17.171 -3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.689 -17.505 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.021 -17.020 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.404 -20.586 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.144 -19.178 -2.081 1.00 0.00 H new ATOM 419 N SER A 31 0.618 -14.365 -3.030 1.00 0.00 N ATOM 420 CA SER A 31 0.590 -12.980 -3.485 1.00 0.00 C ATOM 421 C SER A 31 1.866 -12.248 -3.084 1.00 0.00 C ATOM 422 O SER A 31 2.493 -11.578 -3.905 1.00 0.00 O ATOM 423 CB SER A 31 -0.629 -12.256 -2.906 1.00 0.00 C ATOM 424 OG SER A 31 -1.830 -12.746 -3.476 1.00 0.00 O ATOM 0 H SER A 31 0.025 -14.556 -2.222 1.00 0.00 H new ATOM 0 HA SER A 31 0.521 -12.983 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.655 -12.389 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.544 -11.186 -3.094 1.00 0.00 H new ATOM 0 HG SER A 31 -2.594 -12.269 -3.089 1.00 0.00 H new ATOM 430 N PHE A 32 2.245 -12.381 -1.817 1.00 0.00 N ATOM 431 CA PHE A 32 3.448 -11.730 -1.307 1.00 0.00 C ATOM 432 C PHE A 32 4.703 -12.350 -1.914 1.00 0.00 C ATOM 433 O PHE A 32 5.670 -11.650 -2.213 1.00 0.00 O ATOM 434 CB PHE A 32 3.498 -11.834 0.219 1.00 0.00 C ATOM 435 CG PHE A 32 3.847 -10.540 0.897 1.00 0.00 C ATOM 436 CD1 PHE A 32 5.063 -9.920 0.654 1.00 0.00 C ATOM 437 CD2 PHE A 32 2.960 -9.943 1.778 1.00 0.00 C ATOM 438 CE1 PHE A 32 5.386 -8.729 1.277 1.00 0.00 C ATOM 439 CE2 PHE A 32 3.277 -8.753 2.405 1.00 0.00 C ATOM 440 CZ PHE A 32 4.492 -8.145 2.154 1.00 0.00 C ATOM 0 H PHE A 32 1.738 -12.933 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 32 3.412 -10.679 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.530 -12.176 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.230 -12.591 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.766 -10.373 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.009 -10.414 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.336 -8.255 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.576 -8.299 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.743 -7.215 2.642 1.00 0.00 H new ATOM 450 N LYS A 33 4.680 -13.667 -2.094 1.00 0.00 N ATOM 451 CA LYS A 33 5.818 -14.381 -2.663 1.00 0.00 C ATOM 452 C LYS A 33 6.134 -13.872 -4.067 1.00 0.00 C ATOM 453 O LYS A 33 7.290 -13.603 -4.393 1.00 0.00 O ATOM 454 CB LYS A 33 5.533 -15.884 -2.703 1.00 0.00 C ATOM 455 CG LYS A 33 6.137 -16.648 -1.537 1.00 0.00 C ATOM 456 CD LYS A 33 5.792 -18.127 -1.601 1.00 0.00 C ATOM 457 CE LYS A 33 6.842 -18.975 -0.899 1.00 0.00 C ATOM 458 NZ LYS A 33 7.948 -19.363 -1.818 1.00 0.00 N ATOM 0 H LYS A 33 3.886 -14.261 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 33 6.685 -14.199 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.454 -16.041 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.921 -16.294 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.220 -16.525 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.774 -16.229 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.819 -18.295 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.709 -18.438 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.250 -18.421 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.373 -19.873 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.642 -19.940 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.563 -19.913 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.412 -18.507 -2.183 1.00 0.00 H new ATOM 472 N THR A 34 5.100 -13.742 -4.892 1.00 0.00 N ATOM 473 CA THR A 34 5.271 -13.265 -6.259 1.00 0.00 C ATOM 474 C THR A 34 5.458 -11.751 -6.291 1.00 0.00 C ATOM 475 O THR A 34 6.261 -11.232 -7.066 1.00 0.00 O ATOM 476 CB THR A 34 4.063 -13.658 -7.111 1.00 0.00 C ATOM 477 OG1 THR A 34 3.754 -15.030 -6.943 1.00 0.00 O ATOM 478 CG2 THR A 34 4.269 -13.412 -8.590 1.00 0.00 C ATOM 0 H THR A 34 4.136 -13.960 -4.638 1.00 0.00 H new ATOM 0 HA THR A 34 6.167 -13.731 -6.670 1.00 0.00 H new ATOM 0 HB THR A 34 3.247 -13.025 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.177 -15.142 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.375 -13.712 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.459 -12.352 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.121 -13.994 -8.940 1.00 0.00 H new ATOM 486 N LEU A 35 4.712 -11.050 -5.444 1.00 0.00 N ATOM 487 CA LEU A 35 4.796 -9.595 -5.375 1.00 0.00 C ATOM 488 C LEU A 35 6.208 -9.145 -5.014 1.00 0.00 C ATOM 489 O LEU A 35 6.641 -8.059 -5.399 1.00 0.00 O ATOM 490 CB LEU A 35 3.799 -9.056 -4.349 1.00 0.00 C ATOM 491 CG LEU A 35 3.778 -7.532 -4.205 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.743 -6.924 -5.139 1.00 0.00 C ATOM 493 CD2 LEU A 35 3.496 -7.136 -2.764 1.00 0.00 C ATOM 0 H LEU A 35 4.043 -11.465 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 35 4.549 -9.195 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.800 -9.394 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.028 -9.494 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 35 4.759 -7.146 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.741 -5.840 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.989 -7.179 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.756 -7.317 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.485 -6.049 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.527 -7.533 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.273 -7.541 -2.116 1.00 0.00 H new ATOM 505 N LYS A 36 6.923 -9.985 -4.271 1.00 0.00 N ATOM 506 CA LYS A 36 8.285 -9.671 -3.858 1.00 0.00 C ATOM 507 C LYS A 36 9.181 -9.417 -5.067 1.00 0.00 C ATOM 508 O LYS A 36 10.039 -8.535 -5.042 1.00 0.00 O ATOM 509 CB LYS A 36 8.860 -10.811 -3.015 1.00 0.00 C ATOM 510 CG LYS A 36 9.915 -10.358 -2.017 1.00 0.00 C ATOM 511 CD LYS A 36 10.310 -11.485 -1.076 1.00 0.00 C ATOM 512 CE LYS A 36 9.187 -11.821 -0.107 1.00 0.00 C ATOM 513 NZ LYS A 36 9.706 -12.167 1.244 1.00 0.00 N ATOM 0 H LYS A 36 6.581 -10.888 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 36 8.252 -8.762 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.048 -11.299 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.296 -11.558 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.796 -10.004 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.533 -9.516 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.569 -12.371 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.201 -11.198 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.508 -10.972 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.607 -12.657 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.961 -12.644 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.525 -12.800 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.995 -11.299 1.738 1.00 0.00 H new ATOM 527 N PHE A 37 8.975 -10.197 -6.124 1.00 0.00 N ATOM 528 CA PHE A 37 9.765 -10.056 -7.342 1.00 0.00 C ATOM 529 C PHE A 37 9.341 -8.818 -8.127 1.00 0.00 C ATOM 530 O PHE A 37 10.182 -8.063 -8.614 1.00 0.00 O ATOM 531 CB PHE A 37 9.618 -11.304 -8.216 1.00 0.00 C ATOM 532 CG PHE A 37 10.910 -11.756 -8.837 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.892 -12.354 -8.065 1.00 0.00 C ATOM 534 CD2 PHE A 37 11.140 -11.582 -10.192 1.00 0.00 C ATOM 535 CE1 PHE A 37 13.082 -12.770 -8.633 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.327 -11.997 -10.766 1.00 0.00 C ATOM 537 CZ PHE A 37 13.299 -12.592 -9.986 1.00 0.00 C ATOM 0 H PHE A 37 8.269 -10.932 -6.161 1.00 0.00 H new ATOM 0 HA PHE A 37 10.811 -9.941 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.211 -12.115 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.895 -11.101 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.726 -12.497 -7.007 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.383 -11.117 -10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.841 -13.233 -8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.494 -11.856 -11.824 1.00 0.00 H new ATOM 0 HZ PHE A 37 14.227 -12.918 -10.433 1.00 0.00 H new ATOM 547 N HIS A 38 8.034 -8.616 -8.244 1.00 0.00 N ATOM 548 CA HIS A 38 7.497 -7.470 -8.971 1.00 0.00 C ATOM 549 C HIS A 38 7.984 -6.156 -8.364 1.00 0.00 C ATOM 550 O HIS A 38 7.984 -5.119 -9.028 1.00 0.00 O ATOM 551 CB HIS A 38 5.968 -7.510 -8.969 1.00 0.00 C ATOM 552 CG HIS A 38 5.385 -8.146 -10.191 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.706 -7.775 -11.478 1.00 0.00 N ATOM 554 CD2 HIS A 38 4.482 -9.153 -10.307 1.00 0.00 C ATOM 555 CE1 HIS A 38 5.004 -8.549 -12.317 1.00 0.00 C ATOM 556 NE2 HIS A 38 4.246 -9.403 -11.656 1.00 0.00 N ATOM 0 H HIS A 38 7.325 -9.231 -7.845 1.00 0.00 H new ATOM 0 HA HIS A 38 7.856 -7.526 -9.999 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.628 -8.055 -8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.586 -6.493 -8.881 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.020 -9.677 -9.483 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.052 -8.482 -13.394 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.617 -10.102 -12.052 1.00 0.00 H new ATOM 564 N LEU A 39 8.399 -6.203 -7.100 1.00 0.00 N ATOM 565 CA LEU A 39 8.887 -5.013 -6.409 1.00 0.00 C ATOM 566 C LEU A 39 10.015 -4.347 -7.191 1.00 0.00 C ATOM 567 O LEU A 39 9.969 -3.146 -7.464 1.00 0.00 O ATOM 568 CB LEU A 39 9.372 -5.378 -5.004 1.00 0.00 C ATOM 569 CG LEU A 39 8.265 -5.600 -3.974 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.826 -6.253 -2.720 1.00 0.00 C ATOM 571 CD2 LEU A 39 7.586 -4.282 -3.632 1.00 0.00 C ATOM 0 H LEU A 39 8.407 -7.052 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 39 8.060 -4.307 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.974 -6.284 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.027 -4.584 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 39 7.521 -6.270 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.023 -6.403 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.267 -7.216 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.590 -5.608 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.800 -4.457 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.321 -3.591 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.150 -3.853 -4.534 1.00 0.00 H new ATOM 583 N ARG A 40 11.025 -5.131 -7.549 1.00 0.00 N ATOM 584 CA ARG A 40 12.164 -4.616 -8.300 1.00 0.00 C ATOM 585 C ARG A 40 11.734 -4.116 -9.676 1.00 0.00 C ATOM 586 O ARG A 40 12.357 -3.220 -10.244 1.00 0.00 O ATOM 587 CB ARG A 40 13.233 -5.701 -8.451 1.00 0.00 C ATOM 588 CG ARG A 40 14.545 -5.187 -9.024 1.00 0.00 C ATOM 589 CD ARG A 40 15.507 -6.326 -9.317 1.00 0.00 C ATOM 590 NE ARG A 40 15.325 -6.864 -10.663 1.00 0.00 N ATOM 591 CZ ARG A 40 16.082 -7.826 -11.186 1.00 0.00 C ATOM 592 NH1 ARG A 40 17.071 -8.359 -10.479 1.00 0.00 N ATOM 593 NH2 ARG A 40 15.848 -8.258 -12.417 1.00 0.00 N ATOM 0 H ARG A 40 11.079 -6.126 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 40 12.581 -3.776 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.423 -6.150 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.849 -6.491 -9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.350 -4.629 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.004 -4.493 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.532 -5.973 -9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.361 -7.121 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 40 14.574 -6.480 -11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.254 -8.032 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.648 -9.096 -10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.088 -7.853 -12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.428 -8.995 -12.818 1.00 0.00 H new ATOM 607 N ASP A 41 10.667 -4.703 -10.207 1.00 0.00 N ATOM 608 CA ASP A 41 10.155 -4.318 -11.517 1.00 0.00 C ATOM 609 C ASP A 41 9.545 -2.920 -11.481 1.00 0.00 C ATOM 610 O ASP A 41 9.555 -2.203 -12.482 1.00 0.00 O ATOM 611 CB ASP A 41 9.111 -5.329 -11.997 1.00 0.00 C ATOM 612 CG ASP A 41 9.731 -6.656 -12.392 1.00 0.00 C ATOM 613 OD1 ASP A 41 10.804 -6.995 -11.850 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.142 -7.355 -13.244 1.00 0.00 O ATOM 0 H ASP A 41 10.140 -5.447 -9.750 1.00 0.00 H new ATOM 0 HA ASP A 41 10.993 -4.308 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.379 -5.494 -11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.573 -4.914 -12.849 1.00 0.00 H new ATOM 619 N VAL A 42 9.012 -2.539 -10.324 1.00 0.00 N ATOM 620 CA VAL A 42 8.397 -1.226 -10.164 1.00 0.00 C ATOM 621 C VAL A 42 9.381 -0.220 -9.578 1.00 0.00 C ATOM 622 O VAL A 42 9.381 0.953 -9.952 1.00 0.00 O ATOM 623 CB VAL A 42 7.152 -1.295 -9.258 1.00 0.00 C ATOM 624 CG1 VAL A 42 6.005 -1.988 -9.979 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.478 -2.005 -7.954 1.00 0.00 C ATOM 0 H VAL A 42 8.994 -3.119 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 42 8.098 -0.897 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 42 6.841 -0.277 -9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.135 -2.028 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.754 -1.432 -10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.303 -3.001 -10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.587 -2.044 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.816 -3.019 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.265 -1.462 -7.431 1.00 0.00 H new ATOM 635 N THR A 43 10.220 -0.684 -8.658 1.00 0.00 N ATOM 636 CA THR A 43 11.210 0.179 -8.021 1.00 0.00 C ATOM 637 C THR A 43 12.434 0.356 -8.914 1.00 0.00 C ATOM 638 O THR A 43 12.646 1.424 -9.490 1.00 0.00 O ATOM 639 CB THR A 43 11.629 -0.399 -6.668 1.00 0.00 C ATOM 640 OG1 THR A 43 12.160 -1.703 -6.823 1.00 0.00 O ATOM 641 CG2 THR A 43 10.492 -0.478 -5.673 1.00 0.00 C ATOM 0 H THR A 43 10.235 -1.652 -8.337 1.00 0.00 H new ATOM 0 HA THR A 43 10.754 1.156 -7.864 1.00 0.00 H new ATOM 0 HB THR A 43 12.381 0.288 -6.280 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.426 -2.346 -6.917 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.858 -0.897 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.095 0.521 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.703 -1.116 -6.072 1.00 0.00 H new ATOM 649 N GLN A 44 13.237 -0.697 -9.024 1.00 0.00 N ATOM 650 CA GLN A 44 14.441 -0.657 -9.846 1.00 0.00 C ATOM 651 C GLN A 44 15.413 0.403 -9.339 1.00 0.00 C ATOM 652 O GLN A 44 16.119 1.038 -10.122 1.00 0.00 O ATOM 653 CB GLN A 44 14.078 -0.376 -11.306 1.00 0.00 C ATOM 654 CG GLN A 44 15.205 -0.672 -12.281 1.00 0.00 C ATOM 655 CD GLN A 44 15.218 -2.118 -12.736 1.00 0.00 C ATOM 656 OE1 GLN A 44 14.613 -2.467 -13.749 1.00 0.00 O ATOM 657 NE2 GLN A 44 15.911 -2.968 -11.987 1.00 0.00 N ATOM 0 H GLN A 44 13.076 -1.588 -8.555 1.00 0.00 H new ATOM 0 HA GLN A 44 14.927 -1.630 -9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.208 -0.974 -11.577 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.789 0.670 -11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.108 -0.022 -13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.159 -0.434 -11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.398 -2.635 -11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.957 -3.954 -12.244 1.00 0.00 H new ATOM 666 N PHE A 45 15.441 0.591 -8.024 1.00 0.00 N ATOM 667 CA PHE A 45 16.326 1.575 -7.411 1.00 0.00 C ATOM 668 C PHE A 45 17.616 0.920 -6.927 1.00 0.00 C ATOM 669 O PHE A 45 18.714 1.364 -7.264 1.00 0.00 O ATOM 670 CB PHE A 45 15.622 2.266 -6.243 1.00 0.00 C ATOM 671 CG PHE A 45 16.032 3.700 -6.059 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.055 4.570 -7.138 1.00 0.00 C ATOM 673 CD2 PHE A 45 16.392 4.177 -4.809 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.431 5.890 -6.972 1.00 0.00 C ATOM 675 CE2 PHE A 45 16.769 5.495 -4.638 1.00 0.00 C ATOM 676 CZ PHE A 45 16.789 6.353 -5.721 1.00 0.00 C ATOM 0 H PHE A 45 14.861 0.075 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 45 16.579 2.320 -8.166 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.544 2.222 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.832 1.716 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.776 4.213 -8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 45 16.378 3.511 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.445 6.559 -7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.048 5.855 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.084 7.384 -5.589 1.00 0.00 H new ATOM 686 N HIS A 46 17.476 -0.138 -6.135 1.00 0.00 N ATOM 687 CA HIS A 46 18.629 -0.855 -5.604 1.00 0.00 C ATOM 688 C HIS A 46 18.190 -2.082 -4.815 1.00 0.00 C ATOM 689 O HIS A 46 18.787 -2.424 -3.794 1.00 0.00 O ATOM 690 CB HIS A 46 19.464 0.068 -4.714 1.00 0.00 C ATOM 691 CG HIS A 46 20.938 -0.167 -4.825 1.00 0.00 C ATOM 692 ND1 HIS A 46 21.647 -0.063 -6.000 1.00 0.00 N ATOM 693 CD2 HIS A 46 21.843 -0.509 -3.871 1.00 0.00 C ATOM 694 CE1 HIS A 46 22.930 -0.340 -5.732 1.00 0.00 C ATOM 695 NE2 HIS A 46 23.102 -0.616 -4.454 1.00 0.00 N ATOM 0 H HIS A 46 16.574 -0.518 -5.847 1.00 0.00 H new ATOM 0 HA HIS A 46 19.239 -1.186 -6.445 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.249 1.104 -4.976 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.160 -0.068 -3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 46 21.621 -0.672 -2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 46 23.721 -0.338 -6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 46 23.977 -0.858 -3.989 1.00 0.00 H new ATOM 703 N LEU A 47 17.141 -2.744 -5.295 1.00 0.00 N ATOM 704 CA LEU A 47 16.621 -3.935 -4.634 1.00 0.00 C ATOM 705 C LEU A 47 16.768 -5.162 -5.528 1.00 0.00 C ATOM 706 O LEU A 47 15.813 -5.590 -6.175 1.00 0.00 O ATOM 707 CB LEU A 47 15.150 -3.735 -4.263 1.00 0.00 C ATOM 708 CG LEU A 47 14.838 -2.422 -3.541 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.509 -1.853 -4.015 1.00 0.00 C ATOM 710 CD2 LEU A 47 14.822 -2.633 -2.034 1.00 0.00 C ATOM 0 H LEU A 47 16.635 -2.475 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 47 17.200 -4.098 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.552 -3.783 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.835 -4.564 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 47 15.623 -1.704 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.305 -0.920 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.556 -1.663 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.713 -2.568 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.599 -1.689 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.059 -3.368 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.797 -2.994 -1.707 1.00 0.00 H new ATOM 722 N ALA A 48 17.973 -5.724 -5.559 1.00 0.00 N ATOM 723 CA ALA A 48 18.245 -6.901 -6.375 1.00 0.00 C ATOM 724 C ALA A 48 18.993 -7.961 -5.573 1.00 0.00 C ATOM 725 O ALA A 48 20.213 -7.894 -5.423 1.00 0.00 O ATOM 726 CB ALA A 48 19.040 -6.513 -7.612 1.00 0.00 C ATOM 0 H ALA A 48 18.775 -5.383 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 48 17.291 -7.325 -6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.236 -7.402 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.469 -5.796 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.986 -6.063 -7.310 1.00 0.00 H new ATOM 732 N ARG A 49 18.253 -8.940 -5.061 1.00 0.00 N ATOM 733 CA ARG A 49 18.844 -10.017 -4.274 1.00 0.00 C ATOM 734 C ARG A 49 19.467 -9.477 -2.991 1.00 0.00 C ATOM 735 O ARG A 49 20.269 -8.542 -3.025 1.00 0.00 O ATOM 736 CB ARG A 49 19.900 -10.760 -5.095 1.00 0.00 C ATOM 737 CG ARG A 49 20.115 -12.198 -4.650 1.00 0.00 C ATOM 738 CD ARG A 49 21.115 -12.283 -3.508 1.00 0.00 C ATOM 739 NE ARG A 49 22.456 -12.625 -3.978 1.00 0.00 N ATOM 740 CZ ARG A 49 23.564 -12.425 -3.268 1.00 0.00 C ATOM 741 NH1 ARG A 49 23.496 -11.887 -2.057 1.00 0.00 N ATOM 742 NH2 ARG A 49 24.742 -12.764 -3.771 1.00 0.00 N ATOM 0 H ARG A 49 17.242 -9.010 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 49 18.049 -10.712 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.604 -10.753 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.846 -10.222 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.164 -12.629 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.471 -12.791 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 49 21.148 -11.328 -2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.781 -13.031 -2.789 1.00 0.00 H new ATOM 0 HE ARG A 49 22.548 -13.041 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.591 -11.624 -1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 49 24.348 -11.736 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 49 24.799 -13.178 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 49 25.592 -12.611 -3.228 1.00 0.00 H new ATOM 756 N GLY A 50 19.093 -10.069 -1.862 1.00 0.00 N ATOM 757 CA GLY A 50 19.625 -9.634 -0.585 1.00 0.00 C ATOM 758 C GLY A 50 18.707 -8.657 0.123 1.00 0.00 C ATOM 759 O GLY A 50 18.566 -8.700 1.345 1.00 0.00 O ATOM 0 H GLY A 50 18.431 -10.843 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.787 -10.503 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.598 -9.167 -0.740 1.00 0.00 H new ATOM 763 N GLU A 51 18.079 -7.774 -0.647 1.00 0.00 N ATOM 764 CA GLU A 51 17.169 -6.782 -0.088 1.00 0.00 C ATOM 765 C GLU A 51 15.724 -7.099 -0.458 1.00 0.00 C ATOM 766 O GLU A 51 14.819 -6.970 0.366 1.00 0.00 O ATOM 767 CB GLU A 51 17.539 -5.382 -0.583 1.00 0.00 C ATOM 768 CG GLU A 51 18.724 -4.772 0.148 1.00 0.00 C ATOM 769 CD GLU A 51 19.996 -4.801 -0.676 1.00 0.00 C ATOM 770 OE1 GLU A 51 20.144 -3.943 -1.571 1.00 0.00 O ATOM 771 OE2 GLU A 51 20.844 -5.684 -0.427 1.00 0.00 O ATOM 0 H GLU A 51 18.184 -7.726 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 51 17.262 -6.812 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.765 -5.430 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.676 -4.726 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.491 -3.741 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.888 -5.312 1.081 1.00 0.00 H new ATOM 778 N LEU A 52 15.515 -7.516 -1.703 1.00 0.00 N ATOM 779 CA LEU A 52 14.181 -7.854 -2.182 1.00 0.00 C ATOM 780 C LEU A 52 13.630 -9.070 -1.447 1.00 0.00 C ATOM 781 O LEU A 52 12.435 -9.151 -1.166 1.00 0.00 O ATOM 782 CB LEU A 52 14.209 -8.122 -3.688 1.00 0.00 C ATOM 783 CG LEU A 52 12.889 -7.866 -4.417 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.512 -6.395 -4.339 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.986 -8.318 -5.866 1.00 0.00 C ATOM 0 H LEU A 52 16.253 -7.628 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 52 13.526 -7.006 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.982 -7.499 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.501 -9.159 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 52 12.106 -8.446 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.570 -6.232 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.401 -6.103 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.294 -5.794 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.038 -8.129 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.781 -7.765 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.209 -9.384 -5.900 1.00 0.00 H new ATOM 797 N GLU A 53 14.511 -10.016 -1.136 1.00 0.00 N ATOM 798 CA GLU A 53 14.114 -11.230 -0.432 1.00 0.00 C ATOM 799 C GLU A 53 14.044 -10.988 1.071 1.00 0.00 C ATOM 800 O GLU A 53 13.222 -11.582 1.769 1.00 0.00 O ATOM 801 CB GLU A 53 15.097 -12.363 -0.732 1.00 0.00 C ATOM 802 CG GLU A 53 16.518 -12.071 -0.279 1.00 0.00 C ATOM 803 CD GLU A 53 16.849 -12.717 1.052 1.00 0.00 C ATOM 804 OE1 GLU A 53 17.208 -13.913 1.058 1.00 0.00 O ATOM 805 OE2 GLU A 53 16.751 -12.026 2.088 1.00 0.00 O ATOM 0 H GLU A 53 15.505 -9.965 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 53 13.122 -11.516 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.749 -13.274 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.099 -12.557 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.217 -12.427 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.656 -10.993 -0.200 1.00 0.00 H new ATOM 812 N SER A 54 14.911 -10.109 1.564 1.00 0.00 N ATOM 813 CA SER A 54 14.950 -9.787 2.986 1.00 0.00 C ATOM 814 C SER A 54 13.733 -8.960 3.393 1.00 0.00 C ATOM 815 O SER A 54 13.318 -8.979 4.552 1.00 0.00 O ATOM 816 CB SER A 54 16.233 -9.026 3.323 1.00 0.00 C ATOM 817 OG SER A 54 17.264 -9.914 3.719 1.00 0.00 O ATOM 0 H SER A 54 15.596 -9.607 0.999 1.00 0.00 H new ATOM 0 HA SER A 54 14.933 -10.723 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.557 -8.451 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.037 -8.312 4.123 1.00 0.00 H new ATOM 0 HG SER A 54 17.143 -10.777 3.271 1.00 0.00 H new ATOM 823 N LEU A 55 13.165 -8.235 2.434 1.00 0.00 N ATOM 824 CA LEU A 55 11.996 -7.401 2.694 1.00 0.00 C ATOM 825 C LEU A 55 10.860 -8.224 3.298 1.00 0.00 C ATOM 826 O LEU A 55 10.586 -9.339 2.857 1.00 0.00 O ATOM 827 CB LEU A 55 11.524 -6.730 1.403 1.00 0.00 C ATOM 828 CG LEU A 55 12.187 -5.388 1.091 1.00 0.00 C ATOM 829 CD1 LEU A 55 11.764 -4.891 -0.283 1.00 0.00 C ATOM 830 CD2 LEU A 55 11.842 -4.363 2.161 1.00 0.00 C ATOM 0 H LEU A 55 13.495 -8.208 1.469 1.00 0.00 H new ATOM 0 HA LEU A 55 12.284 -6.632 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.706 -7.410 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.446 -6.580 1.463 1.00 0.00 H new ATOM 0 HG LEU A 55 13.268 -5.529 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.245 -3.935 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.061 -5.617 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.682 -4.765 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.322 -3.414 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.761 -4.224 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.195 -4.716 3.130 1.00 0.00 H new ATOM 842 N SER A 56 10.202 -7.662 4.307 1.00 0.00 N ATOM 843 CA SER A 56 9.097 -8.342 4.972 1.00 0.00 C ATOM 844 C SER A 56 7.829 -7.495 4.920 1.00 0.00 C ATOM 845 O SER A 56 7.774 -6.483 4.222 1.00 0.00 O ATOM 846 CB SER A 56 9.459 -8.650 6.426 1.00 0.00 C ATOM 847 OG SER A 56 9.518 -7.463 7.199 1.00 0.00 O ATOM 0 H SER A 56 10.415 -6.738 4.682 1.00 0.00 H new ATOM 0 HA SER A 56 8.910 -9.278 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.720 -9.329 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.421 -9.161 6.464 1.00 0.00 H new ATOM 0 HG SER A 56 9.749 -7.687 8.125 1.00 0.00 H new ATOM 853 N GLN A 57 6.810 -7.916 5.663 1.00 0.00 N ATOM 854 CA GLN A 57 5.543 -7.197 5.700 1.00 0.00 C ATOM 855 C GLN A 57 5.712 -5.828 6.354 1.00 0.00 C ATOM 856 O GLN A 57 5.005 -4.878 6.018 1.00 0.00 O ATOM 857 CB GLN A 57 4.492 -8.011 6.458 1.00 0.00 C ATOM 858 CG GLN A 57 3.102 -7.926 5.851 1.00 0.00 C ATOM 859 CD GLN A 57 2.396 -9.268 5.819 1.00 0.00 C ATOM 860 OE1 GLN A 57 2.295 -9.904 4.771 1.00 0.00 O ATOM 861 NE2 GLN A 57 1.903 -9.704 6.973 1.00 0.00 N ATOM 0 H GLN A 57 6.838 -8.752 6.247 1.00 0.00 H new ATOM 0 HA GLN A 57 5.208 -7.050 4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.804 -9.055 6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.450 -7.663 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.503 -7.218 6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.176 -7.534 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.010 -9.143 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.417 -10.600 7.014 1.00 0.00 H new ATOM 870 N VAL A 58 6.652 -5.737 7.288 1.00 0.00 N ATOM 871 CA VAL A 58 6.911 -4.485 7.989 1.00 0.00 C ATOM 872 C VAL A 58 8.071 -3.727 7.350 1.00 0.00 C ATOM 873 O VAL A 58 8.020 -2.507 7.200 1.00 0.00 O ATOM 874 CB VAL A 58 7.232 -4.728 9.476 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.304 -3.410 10.231 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.197 -5.653 10.099 1.00 0.00 C ATOM 0 H VAL A 58 7.246 -6.514 7.577 1.00 0.00 H new ATOM 0 HA VAL A 58 6.002 -3.888 7.913 1.00 0.00 H new ATOM 0 HB VAL A 58 8.207 -5.211 9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.532 -3.603 11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.086 -2.785 9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.346 -2.895 10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.439 -5.814 11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.209 -5.200 10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.201 -6.609 9.575 1.00 0.00 H new ATOM 886 N ASP A 59 9.115 -4.459 6.976 1.00 0.00 N ATOM 887 CA ASP A 59 10.288 -3.856 6.353 1.00 0.00 C ATOM 888 C ASP A 59 9.943 -3.281 4.982 1.00 0.00 C ATOM 889 O ASP A 59 10.533 -2.293 4.547 1.00 0.00 O ATOM 890 CB ASP A 59 11.408 -4.889 6.222 1.00 0.00 C ATOM 891 CG ASP A 59 12.479 -4.719 7.282 1.00 0.00 C ATOM 892 OD1 ASP A 59 12.279 -5.212 8.412 1.00 0.00 O ATOM 893 OD2 ASP A 59 13.518 -4.093 6.981 1.00 0.00 O ATOM 0 H ASP A 59 9.173 -5.471 7.093 1.00 0.00 H new ATOM 0 HA ASP A 59 10.629 -3.040 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.985 -5.891 6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.862 -4.806 5.234 1.00 0.00 H new ATOM 898 N LEU A 60 8.984 -3.906 4.307 1.00 0.00 N ATOM 899 CA LEU A 60 8.562 -3.456 2.986 1.00 0.00 C ATOM 900 C LEU A 60 7.809 -2.132 3.076 1.00 0.00 C ATOM 901 O LEU A 60 8.186 -1.148 2.439 1.00 0.00 O ATOM 902 CB LEU A 60 7.678 -4.513 2.321 1.00 0.00 C ATOM 903 CG LEU A 60 7.173 -4.149 0.924 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.333 -4.070 -0.058 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.141 -5.160 0.451 1.00 0.00 C ATOM 0 H LEU A 60 8.485 -4.725 4.653 1.00 0.00 H new ATOM 0 HA LEU A 60 9.455 -3.305 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.239 -5.445 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.818 -4.702 2.964 1.00 0.00 H new ATOM 0 HG LEU A 60 6.697 -3.170 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.955 -3.810 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.039 -3.308 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.837 -5.035 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.792 -4.886 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.592 -6.152 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.297 -5.169 1.141 1.00 0.00 H new ATOM 917 N ALA A 61 6.745 -2.114 3.873 1.00 0.00 N ATOM 918 CA ALA A 61 5.940 -0.912 4.047 1.00 0.00 C ATOM 919 C ALA A 61 6.790 0.254 4.540 1.00 0.00 C ATOM 920 O ALA A 61 6.498 1.415 4.248 1.00 0.00 O ATOM 921 CB ALA A 61 4.794 -1.179 5.011 1.00 0.00 C ATOM 0 H ALA A 61 6.421 -2.919 4.408 1.00 0.00 H new ATOM 0 HA ALA A 61 5.527 -0.639 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.201 -0.272 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.163 -1.975 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.195 -1.481 5.978 1.00 0.00 H new ATOM 927 N SER A 62 7.840 -0.061 5.290 1.00 0.00 N ATOM 928 CA SER A 62 8.733 0.961 5.824 1.00 0.00 C ATOM 929 C SER A 62 9.756 1.391 4.778 1.00 0.00 C ATOM 930 O SER A 62 10.199 2.540 4.763 1.00 0.00 O ATOM 931 CB SER A 62 9.449 0.441 7.071 1.00 0.00 C ATOM 932 OG SER A 62 8.651 0.616 8.229 1.00 0.00 O ATOM 0 H SER A 62 8.094 -1.016 5.542 1.00 0.00 H new ATOM 0 HA SER A 62 8.131 1.828 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.685 -0.616 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.396 0.966 7.196 1.00 0.00 H new ATOM 0 HG SER A 62 9.131 0.274 9.012 1.00 0.00 H new ATOM 938 N LYS A 63 10.127 0.461 3.904 1.00 0.00 N ATOM 939 CA LYS A 63 11.099 0.743 2.854 1.00 0.00 C ATOM 940 C LYS A 63 10.510 1.682 1.805 1.00 0.00 C ATOM 941 O LYS A 63 11.164 2.629 1.368 1.00 0.00 O ATOM 942 CB LYS A 63 11.559 -0.559 2.193 1.00 0.00 C ATOM 943 CG LYS A 63 12.941 -1.012 2.639 1.00 0.00 C ATOM 944 CD LYS A 63 14.002 -0.677 1.600 1.00 0.00 C ATOM 945 CE LYS A 63 15.186 0.044 2.222 1.00 0.00 C ATOM 946 NZ LYS A 63 15.636 -0.610 3.482 1.00 0.00 N ATOM 0 H LYS A 63 9.769 -0.494 3.902 1.00 0.00 H new ATOM 0 HA LYS A 63 11.959 1.233 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.838 -1.345 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.560 -0.427 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.194 -0.534 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.932 -2.087 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.345 -1.594 1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.564 -0.054 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.011 0.067 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.913 1.079 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.666 -0.505 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.164 -0.162 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.392 -1.621 3.455 1.00 0.00 H new ATOM 960 N LEU A 64 9.271 1.413 1.407 1.00 0.00 N ATOM 961 CA LEU A 64 8.593 2.234 0.409 1.00 0.00 C ATOM 962 C LEU A 64 8.489 3.683 0.876 1.00 0.00 C ATOM 963 O LEU A 64 8.487 4.608 0.064 1.00 0.00 O ATOM 964 CB LEU A 64 7.197 1.676 0.123 1.00 0.00 C ATOM 965 CG LEU A 64 7.166 0.226 -0.361 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.738 -0.209 -0.652 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.038 0.059 -1.596 1.00 0.00 C ATOM 0 H LEU A 64 8.716 0.633 1.760 1.00 0.00 H new ATOM 0 HA LEU A 64 9.182 2.208 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.599 1.753 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.718 2.304 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 64 7.564 -0.410 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.736 -1.244 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.140 -0.127 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.313 0.431 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.005 -0.979 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.669 0.706 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.066 0.330 -1.355 1.00 0.00 H new ATOM 979 N ILE A 65 8.401 3.871 2.188 1.00 0.00 N ATOM 980 CA ILE A 65 8.296 5.206 2.763 1.00 0.00 C ATOM 981 C ILE A 65 9.673 5.826 2.970 1.00 0.00 C ATOM 982 O ILE A 65 9.834 7.044 2.895 1.00 0.00 O ATOM 983 CB ILE A 65 7.548 5.180 4.110 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.245 4.391 3.980 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.269 6.597 4.589 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.652 3.979 5.309 1.00 0.00 C ATOM 0 H ILE A 65 8.400 3.115 2.873 1.00 0.00 H new ATOM 0 HA ILE A 65 7.732 5.812 2.054 1.00 0.00 H new ATOM 0 HB ILE A 65 8.179 4.685 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.517 4.995 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.428 3.499 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.740 6.562 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.211 7.130 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.655 7.116 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.730 3.423 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.362 3.349 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.436 4.868 5.902 1.00 0.00 H new ATOM 998 N SER A 66 10.664 4.981 3.232 1.00 0.00 N ATOM 999 CA SER A 66 12.028 5.446 3.450 1.00 0.00 C ATOM 1000 C SER A 66 12.715 5.764 2.125 1.00 0.00 C ATOM 1001 O SER A 66 13.564 6.651 2.052 1.00 0.00 O ATOM 1002 CB SER A 66 12.832 4.394 4.215 1.00 0.00 C ATOM 1003 OG SER A 66 14.057 4.929 4.685 1.00 0.00 O ATOM 0 H SER A 66 10.548 3.970 3.299 1.00 0.00 H new ATOM 0 HA SER A 66 11.982 6.360 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.246 4.026 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.030 3.541 3.566 1.00 0.00 H new ATOM 0 HG SER A 66 14.551 4.237 5.172 1.00 0.00 H new ATOM 1009 N MET A 67 12.340 5.031 1.080 1.00 0.00 N ATOM 1010 CA MET A 67 12.920 5.234 -0.242 1.00 0.00 C ATOM 1011 C MET A 67 12.248 6.402 -0.957 1.00 0.00 C ATOM 1012 O MET A 67 12.904 7.377 -1.326 1.00 0.00 O ATOM 1013 CB MET A 67 12.786 3.962 -1.081 1.00 0.00 C ATOM 1014 CG MET A 67 13.621 2.802 -0.563 1.00 0.00 C ATOM 1015 SD MET A 67 13.858 1.511 -1.800 1.00 0.00 S ATOM 1016 CE MET A 67 12.210 0.815 -1.884 1.00 0.00 C ATOM 0 H MET A 67 11.638 4.292 1.124 1.00 0.00 H new ATOM 0 HA MET A 67 13.977 5.468 -0.116 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.738 3.662 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.080 4.181 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.593 3.174 -0.241 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.137 2.374 0.315 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.235 -0.220 -1.544 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.539 1.391 -1.246 1.00 0.00 H new ATOM 0 HE3 MET A 67 11.852 0.851 -2.913 1.00 0.00 H new ATOM 1026 N TYR A 68 10.938 6.298 -1.151 1.00 0.00 N ATOM 1027 CA TYR A 68 10.177 7.345 -1.822 1.00 0.00 C ATOM 1028 C TYR A 68 9.414 8.196 -0.812 1.00 0.00 C ATOM 1029 O TYR A 68 9.687 9.385 -0.654 1.00 0.00 O ATOM 1030 CB TYR A 68 9.203 6.733 -2.829 1.00 0.00 C ATOM 1031 CG TYR A 68 9.831 5.683 -3.718 1.00 0.00 C ATOM 1032 CD1 TYR A 68 9.970 4.370 -3.284 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.284 6.004 -4.992 1.00 0.00 C ATOM 1034 CE1 TYR A 68 10.543 3.408 -4.093 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.858 5.047 -5.808 1.00 0.00 C ATOM 1036 CZ TYR A 68 10.986 3.752 -5.353 1.00 0.00 C ATOM 1037 OH TYR A 68 11.556 2.796 -6.163 1.00 0.00 O ATOM 0 H TYR A 68 10.380 5.498 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 68 10.881 7.986 -2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.368 6.287 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.792 7.527 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.624 4.097 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.186 7.018 -5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.644 2.392 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.204 5.312 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 68 11.813 3.202 -7.017 1.00 0.00 H new ATOM 1047 N GLY A 69 8.454 7.577 -0.132 1.00 0.00 N ATOM 1048 CA GLY A 69 7.665 8.292 0.853 1.00 0.00 C ATOM 1049 C GLY A 69 6.326 7.631 1.115 1.00 0.00 C ATOM 1050 O GLY A 69 5.963 6.663 0.445 1.00 0.00 O ATOM 0 H GLY A 69 8.209 6.593 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.225 8.354 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.501 9.314 0.511 1.00 0.00 H new ATOM 1054 N ALA A 70 5.592 8.151 2.093 1.00 0.00 N ATOM 1055 CA ALA A 70 4.287 7.604 2.443 1.00 0.00 C ATOM 1056 C ALA A 70 3.259 7.886 1.351 1.00 0.00 C ATOM 1057 O ALA A 70 2.302 7.132 1.178 1.00 0.00 O ATOM 1058 CB ALA A 70 3.817 8.176 3.772 1.00 0.00 C ATOM 0 H ALA A 70 5.879 8.951 2.657 1.00 0.00 H new ATOM 0 HA ALA A 70 4.388 6.523 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.841 7.760 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.533 7.918 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.740 9.260 3.694 1.00 0.00 H new ATOM 1064 N GLN A 71 3.462 8.977 0.619 1.00 0.00 N ATOM 1065 CA GLN A 71 2.550 9.357 -0.454 1.00 0.00 C ATOM 1066 C GLN A 71 2.818 8.542 -1.716 1.00 0.00 C ATOM 1067 O GLN A 71 1.904 8.266 -2.492 1.00 0.00 O ATOM 1068 CB GLN A 71 2.684 10.850 -0.760 1.00 0.00 C ATOM 1069 CG GLN A 71 2.562 11.736 0.471 1.00 0.00 C ATOM 1070 CD GLN A 71 3.801 12.575 0.712 1.00 0.00 C ATOM 1071 OE1 GLN A 71 3.933 13.677 0.179 1.00 0.00 O ATOM 1072 NE2 GLN A 71 4.719 12.056 1.521 1.00 0.00 N ATOM 0 H GLN A 71 4.249 9.613 0.749 1.00 0.00 H new ATOM 0 HA GLN A 71 1.533 9.150 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.649 11.030 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.917 11.135 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.700 12.393 0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.374 11.113 1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.568 11.139 1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.574 12.575 1.721 1.00 0.00 H new ATOM 1081 N GLU A 72 4.076 8.161 -1.915 1.00 0.00 N ATOM 1082 CA GLU A 72 4.460 7.379 -3.084 1.00 0.00 C ATOM 1083 C GLU A 72 4.442 5.886 -2.776 1.00 0.00 C ATOM 1084 O GLU A 72 4.206 5.062 -3.661 1.00 0.00 O ATOM 1085 CB GLU A 72 5.851 7.796 -3.568 1.00 0.00 C ATOM 1086 CG GLU A 72 5.996 7.783 -5.081 1.00 0.00 C ATOM 1087 CD GLU A 72 7.315 8.371 -5.545 1.00 0.00 C ATOM 1088 OE1 GLU A 72 7.538 9.579 -5.318 1.00 0.00 O ATOM 1089 OE2 GLU A 72 8.124 7.624 -6.134 1.00 0.00 O ATOM 0 H GLU A 72 4.845 8.381 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 72 3.733 7.575 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.070 8.798 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.594 7.127 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.912 6.758 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.175 8.345 -5.526 1.00 0.00 H new ATOM 1096 N ALA A 73 4.694 5.540 -1.517 1.00 0.00 N ATOM 1097 CA ALA A 73 4.706 4.143 -1.095 1.00 0.00 C ATOM 1098 C ALA A 73 3.381 3.459 -1.413 1.00 0.00 C ATOM 1099 O ALA A 73 3.356 2.369 -1.985 1.00 0.00 O ATOM 1100 CB ALA A 73 5.010 4.045 0.392 1.00 0.00 C ATOM 0 H ALA A 73 4.893 6.207 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 73 5.490 3.629 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.016 2.998 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.986 4.486 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.246 4.581 0.956 1.00 0.00 H new ATOM 1106 N VAL A 74 2.281 4.105 -1.038 1.00 0.00 N ATOM 1107 CA VAL A 74 0.953 3.557 -1.284 1.00 0.00 C ATOM 1108 C VAL A 74 0.658 3.479 -2.778 1.00 0.00 C ATOM 1109 O VAL A 74 -0.090 2.612 -3.229 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.140 4.402 -0.599 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.499 3.731 -0.733 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.203 4.637 0.865 1.00 0.00 C ATOM 0 H VAL A 74 2.284 5.008 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 74 0.943 2.552 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.188 5.370 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.257 4.343 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.748 3.621 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.467 2.748 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.580 5.235 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.282 3.679 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.154 5.166 0.936 1.00 0.00 H new ATOM 1122 N ARG A 75 1.250 4.393 -3.543 1.00 0.00 N ATOM 1123 CA ARG A 75 1.049 4.426 -4.987 1.00 0.00 C ATOM 1124 C ARG A 75 1.771 3.265 -5.664 1.00 0.00 C ATOM 1125 O ARG A 75 1.225 2.617 -6.557 1.00 0.00 O ATOM 1126 CB ARG A 75 1.542 5.759 -5.559 1.00 0.00 C ATOM 1127 CG ARG A 75 0.439 6.595 -6.186 1.00 0.00 C ATOM 1128 CD ARG A 75 0.229 6.235 -7.648 1.00 0.00 C ATOM 1129 NE ARG A 75 -0.546 7.250 -8.356 1.00 0.00 N ATOM 1130 CZ ARG A 75 -0.080 8.461 -8.657 1.00 0.00 C ATOM 1131 NH1 ARG A 75 1.154 8.809 -8.314 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -0.850 9.325 -9.304 1.00 0.00 N ATOM 0 H ARG A 75 1.872 5.119 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.018 4.327 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.015 6.334 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.309 5.562 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.490 6.445 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.691 7.652 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.197 6.114 -8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.284 5.275 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.499 7.018 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.751 8.148 -7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.505 9.738 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.799 9.062 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.494 10.252 -9.535 1.00 0.00 H new ATOM 1146 N VAL A 76 3.002 3.008 -5.234 1.00 0.00 N ATOM 1147 CA VAL A 76 3.799 1.926 -5.799 1.00 0.00 C ATOM 1148 C VAL A 76 3.104 0.580 -5.621 1.00 0.00 C ATOM 1149 O VAL A 76 2.985 -0.199 -6.567 1.00 0.00 O ATOM 1150 CB VAL A 76 5.197 1.860 -5.152 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.064 0.827 -5.856 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.861 3.229 -5.173 1.00 0.00 C ATOM 0 H VAL A 76 3.469 3.535 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 76 3.909 2.137 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 76 5.081 1.554 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.047 0.795 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.594 -0.154 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.173 1.099 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.847 3.162 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.965 3.567 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.248 3.939 -4.618 1.00 0.00 H new ATOM 1162 N VAL A 77 2.647 0.312 -4.402 1.00 0.00 N ATOM 1163 CA VAL A 77 1.965 -0.941 -4.100 1.00 0.00 C ATOM 1164 C VAL A 77 0.666 -1.062 -4.889 1.00 0.00 C ATOM 1165 O VAL A 77 0.347 -2.127 -5.417 1.00 0.00 O ATOM 1166 CB VAL A 77 1.653 -1.063 -2.596 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.083 -2.437 -2.276 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.900 -0.790 -1.766 1.00 0.00 C ATOM 0 H VAL A 77 2.737 0.946 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 77 2.640 -1.747 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 77 0.902 -0.315 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.869 -2.503 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.163 -2.590 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.808 -3.204 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.659 -0.881 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.675 -1.512 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.260 0.218 -1.971 1.00 0.00 H new ATOM 1178 N SER A 78 -0.080 0.036 -4.965 1.00 0.00 N ATOM 1179 CA SER A 78 -1.344 0.051 -5.691 1.00 0.00 C ATOM 1180 C SER A 78 -1.129 -0.262 -7.169 1.00 0.00 C ATOM 1181 O SER A 78 -1.991 -0.853 -7.820 1.00 0.00 O ATOM 1182 CB SER A 78 -2.027 1.412 -5.541 1.00 0.00 C ATOM 1183 OG SER A 78 -2.901 1.424 -4.426 1.00 0.00 O ATOM 0 H SER A 78 0.169 0.926 -4.533 1.00 0.00 H new ATOM 0 HA SER A 78 -1.986 -0.720 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.273 2.190 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.586 1.644 -6.448 1.00 0.00 H new ATOM 0 HG SER A 78 -3.324 2.305 -4.351 1.00 0.00 H new ATOM 1189 N ARG A 79 0.026 0.137 -7.690 1.00 0.00 N ATOM 1190 CA ARG A 79 0.354 -0.101 -9.091 1.00 0.00 C ATOM 1191 C ARG A 79 0.587 -1.586 -9.351 1.00 0.00 C ATOM 1192 O ARG A 79 0.278 -2.094 -10.429 1.00 0.00 O ATOM 1193 CB ARG A 79 1.596 0.701 -9.489 1.00 0.00 C ATOM 1194 CG ARG A 79 1.276 2.046 -10.118 1.00 0.00 C ATOM 1195 CD ARG A 79 2.432 3.022 -9.965 1.00 0.00 C ATOM 1196 NE ARG A 79 3.683 2.472 -10.481 1.00 0.00 N ATOM 1197 CZ ARG A 79 4.744 3.212 -10.796 1.00 0.00 C ATOM 1198 NH1 ARG A 79 4.710 4.531 -10.650 1.00 0.00 N ATOM 1199 NH2 ARG A 79 5.843 2.632 -11.258 1.00 0.00 N ATOM 0 H ARG A 79 0.750 0.626 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.491 0.226 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.214 0.860 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.188 0.113 -10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.051 1.910 -11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.383 2.463 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.198 3.947 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.555 3.277 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 79 3.747 1.462 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.868 4.983 -10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.526 5.092 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.876 1.619 -11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.656 3.199 -11.499 1.00 0.00 H new ATOM 1213 N SER A 80 1.134 -2.276 -8.356 1.00 0.00 N ATOM 1214 CA SER A 80 1.409 -3.703 -8.476 1.00 0.00 C ATOM 1215 C SER A 80 0.153 -4.524 -8.201 1.00 0.00 C ATOM 1216 O SER A 80 -0.029 -5.605 -8.762 1.00 0.00 O ATOM 1217 CB SER A 80 2.521 -4.113 -7.509 1.00 0.00 C ATOM 1218 OG SER A 80 2.148 -3.859 -6.165 1.00 0.00 O ATOM 0 H SER A 80 1.396 -1.870 -7.458 1.00 0.00 H new ATOM 0 HA SER A 80 1.734 -3.900 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.743 -5.173 -7.634 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.433 -3.566 -7.746 1.00 0.00 H new ATOM 0 HG SER A 80 1.380 -3.251 -6.148 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.711 -4.005 -7.336 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.951 -4.689 -6.987 1.00 0.00 C ATOM 1226 C LEU A 81 -2.821 -4.901 -8.221 1.00 0.00 C ATOM 1227 O LEU A 81 -3.561 -5.881 -8.311 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.721 -3.889 -5.936 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.126 -3.929 -4.527 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -2.719 -2.824 -3.667 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.360 -5.289 -3.889 1.00 0.00 C ATOM 0 H LEU A 81 -0.575 -3.112 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.695 -5.665 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.776 -2.850 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.743 -4.264 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.051 -3.766 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.285 -2.867 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.499 -1.856 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.799 -2.956 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.930 -5.300 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.431 -5.482 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.887 -6.061 -4.495 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.729 -3.975 -9.171 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.509 -4.060 -10.400 1.00 0.00 C ATOM 1245 C LEU A 82 -3.089 -5.269 -11.230 1.00 0.00 C ATOM 1246 O LEU A 82 -3.926 -5.956 -11.814 1.00 0.00 O ATOM 1247 CB LEU A 82 -3.347 -2.780 -11.222 1.00 0.00 C ATOM 1248 CG LEU A 82 -4.330 -1.660 -10.877 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -4.114 -0.462 -11.789 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.763 -2.161 -10.981 1.00 0.00 C ATOM 0 H LEU A 82 -2.122 -3.157 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.558 -4.177 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.332 -2.406 -11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.458 -3.028 -12.278 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.149 -1.345 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.822 0.325 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.097 -0.090 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.268 -0.761 -12.826 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.450 -1.352 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.956 -2.502 -11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.910 -2.988 -10.287 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.785 -5.524 -11.275 1.00 0.00 N ATOM 1263 CA ALA A 83 -1.253 -6.651 -12.033 1.00 0.00 C ATOM 1264 C ALA A 83 -1.812 -7.972 -11.516 1.00 0.00 C ATOM 1265 O ALA A 83 -2.173 -8.853 -12.296 1.00 0.00 O ATOM 1266 CB ALA A 83 0.266 -6.657 -11.971 1.00 0.00 C ATOM 0 H ALA A 83 -1.078 -4.966 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.562 -6.538 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.650 -7.503 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.651 -5.729 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.587 -6.743 -10.933 1.00 0.00 H new ATOM 1272 N MET A 84 -1.879 -8.102 -10.195 1.00 0.00 N ATOM 1273 CA MET A 84 -2.395 -9.317 -9.572 1.00 0.00 C ATOM 1274 C MET A 84 -3.922 -9.307 -9.511 1.00 0.00 C ATOM 1275 O MET A 84 -4.535 -10.252 -9.016 1.00 0.00 O ATOM 1276 CB MET A 84 -1.820 -9.473 -8.163 1.00 0.00 C ATOM 1277 CG MET A 84 -0.305 -9.592 -8.133 1.00 0.00 C ATOM 1278 SD MET A 84 0.420 -8.862 -6.652 1.00 0.00 S ATOM 1279 CE MET A 84 0.106 -10.155 -5.452 1.00 0.00 C ATOM 0 H MET A 84 -1.583 -7.382 -9.535 1.00 0.00 H new ATOM 0 HA MET A 84 -2.085 -10.163 -10.185 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.121 -8.616 -7.560 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.255 -10.358 -7.698 1.00 0.00 H new ATOM 0 HG2 MET A 84 -0.026 -10.644 -8.189 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.111 -9.105 -9.015 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.589 -9.901 -4.509 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.968 -10.253 -5.295 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.506 -11.099 -5.822 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.534 -8.236 -10.014 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.987 -8.116 -10.010 1.00 0.00 C ATOM 1291 C ASN A 85 -6.532 -8.134 -8.585 1.00 0.00 C ATOM 1292 O ASN A 85 -7.020 -9.159 -8.111 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.616 -9.247 -10.825 1.00 0.00 C ATOM 1294 CG ASN A 85 -6.390 -9.082 -12.315 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -5.251 -8.996 -12.775 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -7.475 -9.035 -13.078 1.00 0.00 N ATOM 0 H ASN A 85 -4.046 -7.442 -10.428 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.248 -7.161 -10.466 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.199 -10.200 -10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.687 -9.283 -10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.384 -8.924 -14.088 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.400 -9.110 -12.655 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.444 -6.994 -7.908 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.927 -6.879 -6.538 1.00 0.00 C ATOM 1305 C LEU A 86 -7.447 -5.470 -6.261 1.00 0.00 C ATOM 1306 O LEU A 86 -6.819 -4.697 -5.539 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.813 -7.230 -5.550 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.248 -8.645 -5.689 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -4.001 -8.808 -4.835 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.298 -9.677 -5.306 1.00 0.00 C ATOM 0 H LEU A 86 -6.042 -6.136 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.750 -7.582 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.999 -6.516 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.194 -7.105 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.972 -8.805 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.613 -9.821 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.244 -8.092 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.250 -8.628 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.879 -10.678 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.604 -9.518 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.164 -9.575 -5.961 1.00 0.00 H new ATOM 1322 N MET A 87 -8.598 -5.146 -6.842 1.00 0.00 N ATOM 1323 CA MET A 87 -9.204 -3.833 -6.659 1.00 0.00 C ATOM 1324 C MET A 87 -9.531 -3.577 -5.189 1.00 0.00 C ATOM 1325 O MET A 87 -9.635 -2.428 -4.759 1.00 0.00 O ATOM 1326 CB MET A 87 -10.473 -3.712 -7.504 1.00 0.00 C ATOM 1327 CG MET A 87 -10.203 -3.391 -8.965 1.00 0.00 C ATOM 1328 SD MET A 87 -10.888 -1.801 -9.471 1.00 0.00 S ATOM 1329 CE MET A 87 -9.774 -0.672 -8.640 1.00 0.00 C ATOM 0 H MET A 87 -9.129 -5.775 -7.444 1.00 0.00 H new ATOM 0 HA MET A 87 -8.484 -3.083 -6.985 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.031 -4.647 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.108 -2.934 -7.081 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.127 -3.389 -9.139 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.626 -4.178 -9.589 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.068 0.355 -8.857 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.818 -0.843 -7.564 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.756 -0.840 -8.992 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.695 -4.653 -4.425 1.00 0.00 N ATOM 1340 CA GLU A 88 -10.012 -4.541 -3.005 1.00 0.00 C ATOM 1341 C GLU A 88 -8.976 -3.690 -2.276 1.00 0.00 C ATOM 1342 O GLU A 88 -9.322 -2.728 -1.588 1.00 0.00 O ATOM 1343 CB GLU A 88 -10.089 -5.932 -2.368 1.00 0.00 C ATOM 1344 CG GLU A 88 -11.302 -6.126 -1.475 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.115 -5.521 -0.097 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -9.951 -5.343 0.319 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -12.132 -5.225 0.564 1.00 0.00 O ATOM 0 H GLU A 88 -9.614 -5.611 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.982 -4.051 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.106 -6.683 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.186 -6.105 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.174 -5.676 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.508 -7.192 -1.375 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.706 -4.050 -2.430 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.621 -3.318 -1.786 1.00 0.00 C ATOM 1356 C LEU A 89 -6.370 -1.988 -2.486 1.00 0.00 C ATOM 1357 O LEU A 89 -6.077 -0.980 -1.841 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.343 -4.158 -1.786 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.281 -5.246 -0.713 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -4.291 -6.331 -1.109 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -4.907 -4.645 0.633 1.00 0.00 C ATOM 0 H LEU A 89 -7.403 -4.844 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.914 -3.114 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.235 -4.627 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.489 -3.493 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.268 -5.700 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.260 -7.096 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.603 -6.782 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.300 -5.894 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.867 -5.433 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.931 -4.165 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.654 -3.905 0.921 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.485 -1.990 -3.810 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.269 -0.783 -4.599 1.00 0.00 C ATOM 1375 C VAL A 90 -7.329 0.271 -4.293 1.00 0.00 C ATOM 1376 O VAL A 90 -7.045 1.468 -4.288 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.285 -1.087 -6.109 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -5.904 0.151 -6.909 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.352 -2.246 -6.433 1.00 0.00 C ATOM 0 H VAL A 90 -6.727 -2.815 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.287 -0.398 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.298 -1.376 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.921 -0.084 -7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.615 0.951 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.902 0.474 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.378 -2.445 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.335 -1.989 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.674 -3.135 -5.891 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.551 -0.184 -4.039 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.654 0.720 -3.734 1.00 0.00 C ATOM 1391 C ASP A 91 -9.446 1.400 -2.384 1.00 0.00 C ATOM 1392 O ASP A 91 -9.899 2.524 -2.168 1.00 0.00 O ATOM 1393 CB ASP A 91 -10.981 -0.043 -3.734 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.180 0.884 -3.747 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.455 1.486 -4.806 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -12.847 1.008 -2.697 1.00 0.00 O ATOM 0 H ASP A 91 -8.803 -1.172 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.683 1.489 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.021 -0.697 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.029 -0.683 -2.853 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.758 0.711 -1.479 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.490 1.249 -0.150 1.00 0.00 C ATOM 1403 C TYR A 92 -7.211 2.080 -0.145 1.00 0.00 C ATOM 1404 O TYR A 92 -7.092 3.050 0.603 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.379 0.114 0.870 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.205 0.593 2.293 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -9.302 0.964 3.061 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.943 0.675 2.869 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -9.146 1.403 4.362 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.780 1.113 4.170 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.884 1.475 4.911 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.724 1.911 6.206 1.00 0.00 O ATOM 0 H TYR A 92 -8.376 -0.221 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.322 1.896 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.274 -0.505 0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.534 -0.521 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.293 0.908 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.076 0.392 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.009 1.688 4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.793 1.171 4.603 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.086 1.330 6.670 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.256 1.693 -0.984 1.00 0.00 N ATOM 1423 CA LEU A 93 -4.985 2.403 -1.075 1.00 0.00 C ATOM 1424 C LEU A 93 -5.127 3.671 -1.910 1.00 0.00 C ATOM 1425 O LEU A 93 -4.451 4.669 -1.661 1.00 0.00 O ATOM 1426 CB LEU A 93 -3.913 1.496 -1.683 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.465 0.337 -0.791 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.353 -0.453 -1.462 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.009 0.855 0.566 1.00 0.00 C ATOM 0 H LEU A 93 -6.338 0.892 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.683 2.686 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.292 1.088 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.042 2.103 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.315 -0.329 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.047 -1.273 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.713 -0.854 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.501 0.202 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.694 0.017 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.173 1.542 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.833 1.377 1.052 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.012 3.625 -2.901 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.243 4.770 -3.773 1.00 0.00 C ATOM 1443 C ASN A 94 -6.890 5.918 -3.004 1.00 0.00 C ATOM 1444 O ASN A 94 -6.583 7.087 -3.239 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.129 4.369 -4.953 1.00 0.00 C ATOM 1446 CG ASN A 94 -6.321 3.916 -6.154 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -5.128 3.637 -6.045 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -6.971 3.842 -7.310 1.00 0.00 N ATOM 0 H ASN A 94 -6.581 2.807 -3.120 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.278 5.107 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.798 3.566 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.755 5.215 -5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.480 3.544 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.961 4.083 -7.355 1.00 0.00 H new ATOM 1455 N GLN A 95 -7.787 5.576 -2.085 1.00 0.00 N ATOM 1456 CA GLN A 95 -8.477 6.579 -1.282 1.00 0.00 C ATOM 1457 C GLN A 95 -7.504 7.300 -0.356 1.00 0.00 C ATOM 1458 O GLN A 95 -7.473 8.530 -0.307 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.591 5.925 -0.460 1.00 0.00 C ATOM 1460 CG GLN A 95 -10.650 6.905 0.018 1.00 0.00 C ATOM 1461 CD GLN A 95 -11.264 7.700 -1.118 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -10.799 8.789 -1.451 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -12.317 7.157 -1.717 1.00 0.00 N ATOM 0 H GLN A 95 -8.053 4.613 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.915 7.312 -1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.069 5.152 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.150 5.429 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.435 6.359 0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.206 7.592 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.669 6.251 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.774 7.646 -2.487 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.710 6.527 0.378 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.736 7.092 1.303 1.00 0.00 C ATOM 1474 C VAL A 96 -4.597 7.774 0.551 1.00 0.00 C ATOM 1475 O VAL A 96 -3.912 7.150 -0.258 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.149 6.013 2.233 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.255 6.643 3.290 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.261 5.201 2.880 1.00 0.00 C ATOM 0 H VAL A 96 -6.723 5.507 0.350 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.265 7.830 1.906 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.540 5.338 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.851 5.864 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.436 7.173 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.837 7.344 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.826 4.444 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.900 5.862 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.854 4.715 2.106 1.00 0.00 H new