USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 555 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 50 SER OG : rot 180:sc= 0.0319 USER MOD Set 1.2: A 54 ASN : amide:sc= 0.0119 X(o=0.044,f=-0.36) USER MOD Set 2.1: A 34 ASN : amide:sc= 0 X(o=-0.41,f=-0.41) USER MOD Set 2.2: A 37 SER OG : rot -170:sc= -0.41 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.76) USER MOD Single : A 18 SER OG : rot 180:sc= -0.186 USER MOD Single : A 19 HIS : no HD1:sc= 0.494 K(o=0.49,f=-2.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -175:sc= 0.886 USER MOD Single : A 24 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= 1.33 (180deg=1.19) USER MOD Single : A 33 MET CE :methyl -144:sc= -0.468 (180deg=-3.77!) USER MOD Single : A 35 GLN : amide:sc= -2.01 K(o=-2,f=-4.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -5.74! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.536 F(o=-1.8,f=-0.54) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 15:sc= 0.911 USER MOD Single : A 56 THR OG1 : rot 115:sc= 1.32 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.049 K(o=0.049,f=-2.5) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -2.97! (180deg=-3.98!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.14 K(o=-2.1,f=-4!) USER MOD Single : A 73 TYR OH : rot 165:sc= -0.331 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HE2:sc= 0.29 F(o=-0.99,f=0.29) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.0206 (180deg=-0.183) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0282 (180deg=-0.234) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.073 0.525 -0.499 1.00 30.21 N ATOM 147 CA HIS A 10 12.840 1.122 -1.823 1.00 35.22 C ATOM 148 C HIS A 10 11.397 0.886 -2.300 1.00 45.32 C ATOM 149 O HIS A 10 11.147 0.629 -3.476 1.00 50.22 O ATOM 150 CB HIS A 10 13.845 0.549 -2.831 1.00 52.13 C ATOM 151 CG HIS A 10 15.278 0.751 -2.424 1.00 63.34 C ATOM 152 ND1 HIS A 10 16.237 -0.234 -2.529 1.00 53.11 N ATOM 153 CD2 HIS A 10 15.915 1.834 -1.911 1.00 24.35 C ATOM 154 CE1 HIS A 10 17.393 0.229 -2.099 1.00 3.52 C ATOM 155 NE2 HIS A 10 17.229 1.478 -1.719 1.00 44.41 N ATOM 0 HA HIS A 10 12.984 2.200 -1.746 1.00 35.22 H new ATOM 0 HB2 HIS A 10 13.657 -0.517 -2.955 1.00 52.13 H new ATOM 0 HB3 HIS A 10 13.681 1.016 -3.802 1.00 52.13 H new ATOM 0 HD2 HIS A 10 15.473 2.795 -1.694 1.00 24.35 H new ATOM 0 HE1 HIS A 10 18.320 -0.324 -2.064 1.00 3.52 H new ATOM 0 HE2 HIS A 10 17.958 2.084 -1.343 1.00 44.41 H new ATOM 164 N MET A 11 10.447 1.024 -1.375 1.00 24.40 N ATOM 165 CA MET A 11 9.027 0.789 -1.661 1.00 64.45 C ATOM 166 C MET A 11 8.286 2.107 -1.947 1.00 30.01 C ATOM 167 O MET A 11 7.061 2.145 -1.982 1.00 61.42 O ATOM 168 CB MET A 11 8.378 0.068 -0.471 1.00 23.34 C ATOM 169 CG MET A 11 9.098 -1.213 -0.073 1.00 44.24 C ATOM 170 SD MET A 11 8.360 -2.012 1.365 1.00 72.34 S ATOM 171 CE MET A 11 9.438 -3.431 1.549 1.00 34.42 C ATOM 0 H MET A 11 10.636 1.300 -0.411 1.00 24.40 H new ATOM 0 HA MET A 11 8.955 0.167 -2.553 1.00 64.45 H new ATOM 0 HB2 MET A 11 8.355 0.743 0.384 1.00 23.34 H new ATOM 0 HB3 MET A 11 7.343 -0.168 -0.719 1.00 23.34 H new ATOM 0 HG2 MET A 11 9.087 -1.907 -0.914 1.00 44.24 H new ATOM 0 HG3 MET A 11 10.143 -0.986 0.139 1.00 44.24 H new ATOM 0 HE1 MET A 11 9.111 -4.028 2.400 1.00 34.42 H new ATOM 0 HE2 MET A 11 9.399 -4.037 0.644 1.00 34.42 H new ATOM 0 HE3 MET A 11 10.461 -3.092 1.715 1.00 34.42 H new ATOM 181 N LEU A 12 9.038 3.186 -2.142 1.00 70.24 N ATOM 182 CA LEU A 12 8.452 4.505 -2.427 1.00 52.33 C ATOM 183 C LEU A 12 8.092 4.675 -3.923 1.00 1.02 C ATOM 184 O LEU A 12 6.993 5.130 -4.242 1.00 21.14 O ATOM 185 CB LEU A 12 9.397 5.637 -1.968 1.00 71.44 C ATOM 186 CG LEU A 12 9.521 5.832 -0.443 1.00 75.51 C ATOM 187 CD1 LEU A 12 10.159 4.617 0.226 1.00 53.24 C ATOM 188 CD2 LEU A 12 10.315 7.097 -0.129 1.00 53.33 C ATOM 0 H LEU A 12 10.057 3.179 -2.109 1.00 70.24 H new ATOM 0 HA LEU A 12 7.524 4.569 -1.859 1.00 52.33 H new ATOM 0 HB2 LEU A 12 10.390 5.441 -2.372 1.00 71.44 H new ATOM 0 HB3 LEU A 12 9.052 6.573 -2.408 1.00 71.44 H new ATOM 0 HG LEU A 12 8.515 5.942 -0.039 1.00 75.51 H new ATOM 0 HD11 LEU A 12 10.231 4.789 1.300 1.00 53.24 H new ATOM 0 HD12 LEU A 12 9.546 3.735 0.040 1.00 53.24 H new ATOM 0 HD13 LEU A 12 11.157 4.458 -0.184 1.00 53.24 H new ATOM 0 HD21 LEU A 12 10.393 7.219 0.951 1.00 53.33 H new ATOM 0 HD22 LEU A 12 11.314 7.015 -0.558 1.00 53.33 H new ATOM 0 HD23 LEU A 12 9.806 7.961 -0.556 1.00 53.33 H new ATOM 200 N PRO A 13 9.004 4.334 -4.867 1.00 4.20 N ATOM 201 CA PRO A 13 8.708 4.431 -6.307 1.00 3.01 C ATOM 202 C PRO A 13 7.882 3.240 -6.834 1.00 75.34 C ATOM 203 O PRO A 13 7.876 2.160 -6.237 1.00 43.22 O ATOM 204 CB PRO A 13 10.107 4.440 -6.933 1.00 71.10 C ATOM 205 CG PRO A 13 10.925 3.599 -6.013 1.00 1.14 C ATOM 206 CD PRO A 13 10.382 3.847 -4.626 1.00 14.01 C ATOM 0 HA PRO A 13 8.101 5.305 -6.546 1.00 3.01 H new ATOM 0 HB2 PRO A 13 10.094 4.029 -7.943 1.00 71.10 H new ATOM 0 HB3 PRO A 13 10.504 5.452 -7.006 1.00 71.10 H new ATOM 0 HG2 PRO A 13 10.850 2.544 -6.278 1.00 1.14 H new ATOM 0 HG3 PRO A 13 11.980 3.868 -6.073 1.00 1.14 H new ATOM 0 HD2 PRO A 13 10.385 2.937 -4.027 1.00 14.01 H new ATOM 0 HD3 PRO A 13 10.979 4.584 -4.089 1.00 14.01 H new ATOM 214 N PRO A 14 7.160 3.427 -7.961 1.00 63.33 N ATOM 215 CA PRO A 14 6.396 2.340 -8.604 1.00 41.24 C ATOM 216 C PRO A 14 7.298 1.206 -9.142 1.00 3.51 C ATOM 217 O PRO A 14 8.496 1.159 -8.857 1.00 23.12 O ATOM 218 CB PRO A 14 5.664 3.050 -9.762 1.00 43.33 C ATOM 219 CG PRO A 14 5.716 4.503 -9.427 1.00 0.32 C ATOM 220 CD PRO A 14 7.004 4.703 -8.681 1.00 74.32 C ATOM 0 HA PRO A 14 5.728 1.847 -7.898 1.00 41.24 H new ATOM 0 HB2 PRO A 14 6.150 2.849 -10.717 1.00 43.33 H new ATOM 0 HB3 PRO A 14 4.634 2.703 -9.849 1.00 43.33 H new ATOM 0 HG2 PRO A 14 5.687 5.114 -10.329 1.00 0.32 H new ATOM 0 HG3 PRO A 14 4.861 4.795 -8.817 1.00 0.32 H new ATOM 0 HD2 PRO A 14 7.838 4.892 -9.356 1.00 74.32 H new ATOM 0 HD3 PRO A 14 6.949 5.550 -7.997 1.00 74.32 H new ATOM 228 N GLU A 15 6.698 0.291 -9.917 1.00 42.42 N ATOM 229 CA GLU A 15 7.420 -0.841 -10.537 1.00 14.51 C ATOM 230 C GLU A 15 7.786 -1.936 -9.514 1.00 13.35 C ATOM 231 O GLU A 15 7.364 -3.086 -9.647 1.00 53.54 O ATOM 232 CB GLU A 15 8.687 -0.354 -11.266 1.00 42.11 C ATOM 233 CG GLU A 15 9.462 -1.462 -11.974 1.00 51.41 C ATOM 234 CD GLU A 15 10.785 -0.977 -12.551 1.00 31.42 C ATOM 235 OE1 GLU A 15 10.781 -0.384 -13.651 1.00 2.12 O ATOM 236 OE2 GLU A 15 11.836 -1.189 -11.909 1.00 14.14 O ATOM 0 H GLU A 15 5.702 0.310 -10.134 1.00 42.42 H new ATOM 0 HA GLU A 15 6.739 -1.284 -11.263 1.00 14.51 H new ATOM 0 HB2 GLU A 15 8.404 0.402 -11.998 1.00 42.11 H new ATOM 0 HB3 GLU A 15 9.345 0.131 -10.545 1.00 42.11 H new ATOM 0 HG2 GLU A 15 9.652 -2.273 -11.271 1.00 51.41 H new ATOM 0 HG3 GLU A 15 8.849 -1.873 -12.776 1.00 51.41 H new ATOM 243 N GLN A 16 8.557 -1.572 -8.490 1.00 22.51 N ATOM 244 CA GLN A 16 9.050 -2.539 -7.497 1.00 4.44 C ATOM 245 C GLN A 16 7.934 -3.017 -6.538 1.00 34.33 C ATOM 246 O GLN A 16 8.166 -3.833 -5.642 1.00 14.30 O ATOM 247 CB GLN A 16 10.224 -1.923 -6.714 1.00 3.44 C ATOM 248 CG GLN A 16 10.901 -2.887 -5.739 1.00 44.11 C ATOM 249 CD GLN A 16 12.182 -2.331 -5.138 1.00 45.12 C ATOM 250 OE1 GLN A 16 12.906 -1.569 -5.770 1.00 63.45 O ATOM 251 NE2 GLN A 16 12.477 -2.714 -3.916 1.00 61.43 N ATOM 0 H GLN A 16 8.857 -0.612 -8.322 1.00 22.51 H new ATOM 0 HA GLN A 16 9.397 -3.423 -8.032 1.00 4.44 H new ATOM 0 HB2 GLN A 16 10.968 -1.559 -7.423 1.00 3.44 H new ATOM 0 HB3 GLN A 16 9.862 -1.057 -6.159 1.00 3.44 H new ATOM 0 HG2 GLN A 16 10.205 -3.128 -4.935 1.00 44.11 H new ATOM 0 HG3 GLN A 16 11.125 -3.819 -6.257 1.00 44.11 H new ATOM 0 HE21 GLN A 16 11.854 -3.349 -3.416 1.00 61.43 H new ATOM 0 HE22 GLN A 16 13.329 -2.376 -3.467 1.00 61.43 H new ATOM 260 N TRP A 17 6.717 -2.514 -6.730 1.00 72.44 N ATOM 261 CA TRP A 17 5.568 -2.970 -5.943 1.00 30.25 C ATOM 262 C TRP A 17 5.159 -4.399 -6.331 1.00 31.32 C ATOM 263 O TRP A 17 4.314 -4.608 -7.201 1.00 55.40 O ATOM 264 CB TRP A 17 4.386 -2.004 -6.095 1.00 33.23 C ATOM 265 CG TRP A 17 4.567 -0.740 -5.309 1.00 63.54 C ATOM 266 CD1 TRP A 17 5.144 0.422 -5.734 1.00 44.32 C ATOM 267 CD2 TRP A 17 4.179 -0.523 -3.948 1.00 13.41 C ATOM 268 NE1 TRP A 17 5.135 1.348 -4.719 1.00 64.53 N ATOM 269 CE2 TRP A 17 4.547 0.792 -3.614 1.00 3.40 C ATOM 270 CE3 TRP A 17 3.553 -1.313 -2.982 1.00 12.33 C ATOM 271 CZ2 TRP A 17 4.309 1.332 -2.355 1.00 2.32 C ATOM 272 CZ3 TRP A 17 3.319 -0.776 -1.732 1.00 61.23 C ATOM 273 CH2 TRP A 17 3.695 0.536 -1.427 1.00 43.33 C ATOM 0 H TRP A 17 6.499 -1.794 -7.419 1.00 72.44 H new ATOM 0 HA TRP A 17 5.866 -2.983 -4.895 1.00 30.25 H new ATOM 0 HB2 TRP A 17 4.258 -1.757 -7.149 1.00 33.23 H new ATOM 0 HB3 TRP A 17 3.472 -2.501 -5.771 1.00 33.23 H new ATOM 0 HD1 TRP A 17 5.548 0.589 -6.722 1.00 44.32 H new ATOM 0 HE1 TRP A 17 5.506 2.296 -4.779 1.00 64.53 H new ATOM 0 HE3 TRP A 17 3.257 -2.327 -3.209 1.00 12.33 H new ATOM 0 HZ2 TRP A 17 4.599 2.345 -2.118 1.00 2.32 H new ATOM 0 HZ3 TRP A 17 2.837 -1.379 -0.977 1.00 61.23 H new ATOM 0 HH2 TRP A 17 3.497 0.928 -0.440 1.00 43.33 H new ATOM 284 N SER A 18 5.806 -5.375 -5.700 1.00 23.13 N ATOM 285 CA SER A 18 5.514 -6.795 -5.931 1.00 34.44 C ATOM 286 C SER A 18 4.471 -7.327 -4.932 1.00 11.15 C ATOM 287 O SER A 18 3.974 -6.589 -4.076 1.00 34.01 O ATOM 288 CB SER A 18 6.807 -7.619 -5.822 1.00 43.43 C ATOM 289 OG SER A 18 6.560 -9.005 -6.008 1.00 3.43 O ATOM 0 H SER A 18 6.545 -5.210 -5.016 1.00 23.13 H new ATOM 0 HA SER A 18 5.100 -6.893 -6.934 1.00 34.44 H new ATOM 0 HB2 SER A 18 7.524 -7.273 -6.567 1.00 43.43 H new ATOM 0 HB3 SER A 18 7.261 -7.458 -4.844 1.00 43.43 H new ATOM 0 HG SER A 18 7.402 -9.500 -5.934 1.00 3.43 H new ATOM 295 N HIS A 19 4.162 -8.618 -5.042 1.00 55.21 N ATOM 296 CA HIS A 19 3.178 -9.279 -4.172 1.00 0.43 C ATOM 297 C HIS A 19 3.486 -9.050 -2.678 1.00 64.02 C ATOM 298 O HIS A 19 2.579 -8.855 -1.869 1.00 43.01 O ATOM 299 CB HIS A 19 3.162 -10.785 -4.476 1.00 61.41 C ATOM 300 CG HIS A 19 2.060 -11.536 -3.790 1.00 50.43 C ATOM 301 ND1 HIS A 19 2.117 -11.914 -2.470 1.00 70.35 N ATOM 302 CD2 HIS A 19 0.865 -11.979 -4.250 1.00 10.40 C ATOM 303 CE1 HIS A 19 1.014 -12.552 -2.146 1.00 2.21 C ATOM 304 NE2 HIS A 19 0.233 -12.609 -3.206 1.00 64.25 N ATOM 0 H HIS A 19 4.583 -9.238 -5.734 1.00 55.21 H new ATOM 0 HA HIS A 19 2.200 -8.844 -4.376 1.00 0.43 H new ATOM 0 HB2 HIS A 19 3.068 -10.927 -5.553 1.00 61.41 H new ATOM 0 HB3 HIS A 19 4.119 -11.215 -4.180 1.00 61.41 H new ATOM 0 HD2 HIS A 19 0.481 -11.859 -5.252 1.00 10.40 H new ATOM 0 HE1 HIS A 19 0.786 -12.961 -1.173 1.00 2.21 H new ATOM 0 HE2 HIS A 19 -0.687 -13.048 -3.245 1.00 64.25 H new ATOM 313 N THR A 20 4.769 -9.079 -2.327 1.00 45.31 N ATOM 314 CA THR A 20 5.204 -8.880 -0.935 1.00 3.40 C ATOM 315 C THR A 20 5.274 -7.389 -0.570 1.00 54.55 C ATOM 316 O THR A 20 4.797 -6.974 0.487 1.00 61.35 O ATOM 317 CB THR A 20 6.594 -9.518 -0.688 1.00 55.03 C ATOM 318 OG1 THR A 20 6.584 -10.892 -1.102 1.00 24.54 O ATOM 319 CG2 THR A 20 6.990 -9.434 0.786 1.00 1.14 C ATOM 0 H THR A 20 5.532 -9.238 -2.985 1.00 45.31 H new ATOM 0 HA THR A 20 4.460 -9.367 -0.304 1.00 3.40 H new ATOM 0 HB THR A 20 7.326 -8.961 -1.274 1.00 55.03 H new ATOM 0 HG1 THR A 20 7.467 -11.288 -0.944 1.00 24.54 H new ATOM 0 HG21 THR A 20 7.970 -9.890 0.926 1.00 1.14 H new ATOM 0 HG22 THR A 20 7.029 -8.389 1.093 1.00 1.14 H new ATOM 0 HG23 THR A 20 6.254 -9.963 1.391 1.00 1.14 H new ATOM 327 N THR A 21 5.862 -6.591 -1.467 1.00 75.14 N ATOM 328 CA THR A 21 6.084 -5.150 -1.235 1.00 14.34 C ATOM 329 C THR A 21 4.833 -4.444 -0.693 1.00 11.05 C ATOM 330 O THR A 21 4.911 -3.652 0.250 1.00 1.12 O ATOM 331 CB THR A 21 6.518 -4.439 -2.542 1.00 74.41 C ATOM 332 OG1 THR A 21 7.630 -5.126 -3.137 1.00 52.33 O ATOM 333 CG2 THR A 21 6.898 -2.982 -2.289 1.00 35.13 C ATOM 0 H THR A 21 6.198 -6.919 -2.373 1.00 75.14 H new ATOM 0 HA THR A 21 6.875 -5.084 -0.488 1.00 14.34 H new ATOM 0 HB THR A 21 5.667 -4.459 -3.223 1.00 74.41 H new ATOM 0 HG1 THR A 21 7.947 -4.622 -3.916 1.00 52.33 H new ATOM 0 HG21 THR A 21 7.197 -2.516 -3.228 1.00 35.13 H new ATOM 0 HG22 THR A 21 6.042 -2.449 -1.876 1.00 35.13 H new ATOM 0 HG23 THR A 21 7.727 -2.940 -1.583 1.00 35.13 H new ATOM 341 N VAL A 22 3.682 -4.746 -1.293 1.00 11.24 N ATOM 342 CA VAL A 22 2.408 -4.133 -0.901 1.00 51.44 C ATOM 343 C VAL A 22 2.101 -4.335 0.594 1.00 1.42 C ATOM 344 O VAL A 22 1.794 -3.381 1.309 1.00 53.40 O ATOM 345 CB VAL A 22 1.235 -4.701 -1.745 1.00 33.14 C ATOM 346 CG1 VAL A 22 -0.094 -4.062 -1.344 1.00 2.01 C ATOM 347 CG2 VAL A 22 1.502 -4.502 -3.237 1.00 21.10 C ATOM 0 H VAL A 22 3.603 -5.416 -2.058 1.00 11.24 H new ATOM 0 HA VAL A 22 2.509 -3.064 -1.088 1.00 51.44 H new ATOM 0 HB VAL A 22 1.164 -5.770 -1.546 1.00 33.14 H new ATOM 0 HG11 VAL A 22 -0.897 -4.479 -1.952 1.00 2.01 H new ATOM 0 HG12 VAL A 22 -0.293 -4.265 -0.292 1.00 2.01 H new ATOM 0 HG13 VAL A 22 -0.042 -2.985 -1.502 1.00 2.01 H new ATOM 0 HG21 VAL A 22 0.669 -4.906 -3.813 1.00 21.10 H new ATOM 0 HG22 VAL A 22 1.607 -3.438 -3.449 1.00 21.10 H new ATOM 0 HG23 VAL A 22 2.420 -5.020 -3.515 1.00 21.10 H new ATOM 357 N ARG A 23 2.208 -5.574 1.066 1.00 33.30 N ATOM 358 CA ARG A 23 1.812 -5.910 2.437 1.00 44.24 C ATOM 359 C ARG A 23 2.806 -5.360 3.478 1.00 64.21 C ATOM 360 O ARG A 23 2.417 -4.987 4.588 1.00 11.23 O ATOM 361 CB ARG A 23 1.664 -7.428 2.594 1.00 11.05 C ATOM 362 CG ARG A 23 0.854 -7.830 3.823 1.00 53.24 C ATOM 363 CD ARG A 23 0.709 -9.343 3.951 1.00 52.10 C ATOM 364 NE ARG A 23 -0.347 -9.707 4.899 1.00 51.05 N ATOM 365 CZ ARG A 23 -0.164 -10.414 5.982 1.00 44.23 C ATOM 366 NH1 ARG A 23 1.014 -10.820 6.321 1.00 32.02 N ATOM 367 NH2 ARG A 23 -1.173 -10.708 6.732 1.00 65.42 N ATOM 0 H ARG A 23 2.564 -6.362 0.524 1.00 33.30 H new ATOM 0 HA ARG A 23 0.849 -5.435 2.622 1.00 44.24 H new ATOM 0 HB2 ARG A 23 1.185 -7.834 1.703 1.00 11.05 H new ATOM 0 HB3 ARG A 23 2.655 -7.878 2.657 1.00 11.05 H new ATOM 0 HG2 ARG A 23 1.336 -7.436 4.718 1.00 53.24 H new ATOM 0 HG3 ARG A 23 -0.135 -7.376 3.768 1.00 53.24 H new ATOM 0 HD2 ARG A 23 0.485 -9.771 2.974 1.00 52.10 H new ATOM 0 HD3 ARG A 23 1.656 -9.773 4.278 1.00 52.10 H new ATOM 0 HE ARG A 23 -1.294 -9.385 4.699 1.00 51.05 H new ATOM 0 HH11 ARG A 23 1.820 -10.589 5.740 1.00 32.02 H new ATOM 0 HH12 ARG A 23 1.139 -11.371 7.170 1.00 32.02 H new ATOM 0 HH21 ARG A 23 -2.108 -10.388 6.478 1.00 65.42 H new ATOM 0 HH22 ARG A 23 -1.035 -11.260 7.579 1.00 65.42 H new ATOM 381 N ASN A 24 4.087 -5.317 3.119 1.00 23.32 N ATOM 382 CA ASN A 24 5.126 -4.792 4.015 1.00 43.10 C ATOM 383 C ASN A 24 4.915 -3.295 4.311 1.00 61.13 C ATOM 384 O ASN A 24 5.010 -2.856 5.461 1.00 60.30 O ATOM 385 CB ASN A 24 6.517 -5.022 3.408 1.00 54.41 C ATOM 386 CG ASN A 24 6.884 -6.497 3.332 1.00 22.53 C ATOM 387 OD1 ASN A 24 6.024 -7.360 3.213 1.00 75.52 O ATOM 388 ND2 ASN A 24 8.166 -6.798 3.400 1.00 71.03 N ATOM 0 H ASN A 24 4.435 -5.638 2.215 1.00 23.32 H new ATOM 0 HA ASN A 24 5.054 -5.331 4.959 1.00 43.10 H new ATOM 0 HB2 ASN A 24 6.549 -4.591 2.407 1.00 54.41 H new ATOM 0 HB3 ASN A 24 7.262 -4.496 4.005 1.00 54.41 H new ATOM 0 HD21 ASN A 24 8.464 -7.772 3.353 1.00 71.03 H new ATOM 0 HD22 ASN A 24 8.859 -6.057 3.499 1.00 71.03 H new ATOM 395 N ALA A 25 4.616 -2.519 3.271 1.00 60.01 N ATOM 396 CA ALA A 25 4.378 -1.077 3.423 1.00 25.30 C ATOM 397 C ALA A 25 2.963 -0.779 3.955 1.00 3.20 C ATOM 398 O ALA A 25 2.734 0.252 4.597 1.00 34.00 O ATOM 399 CB ALA A 25 4.606 -0.365 2.092 1.00 15.10 C ATOM 0 H ALA A 25 4.532 -2.860 2.313 1.00 60.01 H new ATOM 0 HA ALA A 25 5.088 -0.701 4.160 1.00 25.30 H new ATOM 0 HB1 ALA A 25 4.427 0.703 2.215 1.00 15.10 H new ATOM 0 HB2 ALA A 25 5.633 -0.525 1.765 1.00 15.10 H new ATOM 0 HB3 ALA A 25 3.921 -0.764 1.344 1.00 15.10 H new ATOM 405 N LEU A 26 2.021 -1.687 3.688 1.00 4.13 N ATOM 406 CA LEU A 26 0.621 -1.524 4.116 1.00 63.40 C ATOM 407 C LEU A 26 0.501 -1.463 5.649 1.00 12.25 C ATOM 408 O LEU A 26 -0.329 -0.722 6.181 1.00 72.41 O ATOM 409 CB LEU A 26 -0.229 -2.679 3.541 1.00 42.33 C ATOM 410 CG LEU A 26 -1.764 -2.584 3.727 1.00 73.23 C ATOM 411 CD1 LEU A 26 -2.479 -3.426 2.672 1.00 20.11 C ATOM 412 CD2 LEU A 26 -2.190 -3.039 5.125 1.00 12.13 C ATOM 0 H LEU A 26 2.200 -2.550 3.174 1.00 4.13 H new ATOM 0 HA LEU A 26 0.248 -0.576 3.730 1.00 63.40 H new ATOM 0 HB2 LEU A 26 -0.021 -2.753 2.474 1.00 42.33 H new ATOM 0 HB3 LEU A 26 0.110 -3.609 3.997 1.00 42.33 H new ATOM 0 HG LEU A 26 -2.045 -1.538 3.609 1.00 73.23 H new ATOM 0 HD11 LEU A 26 -3.557 -3.350 2.815 1.00 20.11 H new ATOM 0 HD12 LEU A 26 -2.218 -3.062 1.678 1.00 20.11 H new ATOM 0 HD13 LEU A 26 -2.173 -4.468 2.769 1.00 20.11 H new ATOM 0 HD21 LEU A 26 -3.273 -2.959 5.219 1.00 12.13 H new ATOM 0 HD22 LEU A 26 -1.888 -4.075 5.278 1.00 12.13 H new ATOM 0 HD23 LEU A 26 -1.713 -2.408 5.874 1.00 12.13 H new ATOM 424 N LYS A 27 1.341 -2.230 6.349 1.00 21.12 N ATOM 425 CA LYS A 27 1.275 -2.328 7.818 1.00 5.23 C ATOM 426 C LYS A 27 1.224 -0.945 8.503 1.00 72.11 C ATOM 427 O LYS A 27 0.293 -0.649 9.255 1.00 73.10 O ATOM 428 CB LYS A 27 2.471 -3.135 8.352 1.00 63.51 C ATOM 429 CG LYS A 27 2.492 -3.287 9.875 1.00 34.14 C ATOM 430 CD LYS A 27 1.218 -3.953 10.398 1.00 40.32 C ATOM 431 CE LYS A 27 1.194 -4.025 11.922 1.00 4.40 C ATOM 432 NZ LYS A 27 -0.073 -4.615 12.432 1.00 15.31 N ATOM 0 H LYS A 27 2.077 -2.795 5.926 1.00 21.12 H new ATOM 0 HA LYS A 27 0.346 -2.843 8.061 1.00 5.23 H new ATOM 0 HB2 LYS A 27 2.458 -4.126 7.899 1.00 63.51 H new ATOM 0 HB3 LYS A 27 3.394 -2.651 8.033 1.00 63.51 H new ATOM 0 HG2 LYS A 27 3.359 -3.879 10.169 1.00 34.14 H new ATOM 0 HG3 LYS A 27 2.605 -2.306 10.337 1.00 34.14 H new ATOM 0 HD2 LYS A 27 0.348 -3.397 10.048 1.00 40.32 H new ATOM 0 HD3 LYS A 27 1.140 -4.959 9.986 1.00 40.32 H new ATOM 0 HE2 LYS A 27 2.037 -4.621 12.270 1.00 4.40 H new ATOM 0 HE3 LYS A 27 1.320 -3.024 12.334 1.00 4.40 H new ATOM 0 HZ1 LYS A 27 -0.048 -4.646 13.471 1.00 15.31 H new ATOM 0 HZ2 LYS A 27 -0.877 -4.032 12.122 1.00 15.31 H new ATOM 0 HZ3 LYS A 27 -0.181 -5.580 12.060 1.00 15.31 H new ATOM 446 N ASP A 28 2.218 -0.100 8.236 1.00 71.00 N ATOM 447 CA ASP A 28 2.302 1.223 8.873 1.00 24.31 C ATOM 448 C ASP A 28 1.227 2.199 8.360 1.00 5.04 C ATOM 449 O ASP A 28 0.995 3.248 8.967 1.00 41.24 O ATOM 450 CB ASP A 28 3.703 1.810 8.683 1.00 71.12 C ATOM 451 CG ASP A 28 4.745 1.010 9.441 1.00 4.24 C ATOM 452 OD1 ASP A 28 4.947 1.284 10.644 1.00 2.31 O ATOM 453 OD2 ASP A 28 5.342 0.089 8.852 1.00 13.40 O ATOM 0 H ASP A 28 2.977 -0.302 7.585 1.00 71.00 H new ATOM 0 HA ASP A 28 2.111 1.082 9.937 1.00 24.31 H new ATOM 0 HB2 ASP A 28 3.953 1.823 7.622 1.00 71.12 H new ATOM 0 HB3 ASP A 28 3.715 2.844 9.026 1.00 71.12 H new ATOM 458 N LEU A 29 0.575 1.860 7.251 1.00 22.53 N ATOM 459 CA LEU A 29 -0.560 2.648 6.755 1.00 35.42 C ATOM 460 C LEU A 29 -1.821 2.336 7.575 1.00 45.05 C ATOM 461 O LEU A 29 -2.455 3.231 8.140 1.00 2.41 O ATOM 462 CB LEU A 29 -0.809 2.353 5.266 1.00 11.51 C ATOM 463 CG LEU A 29 0.364 2.682 4.322 1.00 34.21 C ATOM 464 CD1 LEU A 29 0.028 2.301 2.881 1.00 41.33 C ATOM 465 CD2 LEU A 29 0.736 4.161 4.419 1.00 1.50 C ATOM 0 H LEU A 29 0.808 1.049 6.678 1.00 22.53 H new ATOM 0 HA LEU A 29 -0.322 3.706 6.864 1.00 35.42 H new ATOM 0 HB2 LEU A 29 -1.054 1.296 5.158 1.00 11.51 H new ATOM 0 HB3 LEU A 29 -1.683 2.918 4.942 1.00 11.51 H new ATOM 0 HG LEU A 29 1.226 2.092 4.634 1.00 34.21 H new ATOM 0 HD11 LEU A 29 0.872 2.543 2.235 1.00 41.33 H new ATOM 0 HD12 LEU A 29 -0.177 1.232 2.826 1.00 41.33 H new ATOM 0 HD13 LEU A 29 -0.851 2.856 2.553 1.00 41.33 H new ATOM 0 HD21 LEU A 29 1.566 4.372 3.745 1.00 1.50 H new ATOM 0 HD22 LEU A 29 -0.123 4.771 4.140 1.00 1.50 H new ATOM 0 HD23 LEU A 29 1.031 4.396 5.442 1.00 1.50 H new ATOM 477 N LEU A 30 -2.160 1.048 7.651 1.00 53.11 N ATOM 478 CA LEU A 30 -3.308 0.581 8.442 1.00 64.32 C ATOM 479 C LEU A 30 -3.061 0.780 9.952 1.00 50.43 C ATOM 480 O LEU A 30 -3.980 0.708 10.769 1.00 1.13 O ATOM 481 CB LEU A 30 -3.576 -0.900 8.133 1.00 21.22 C ATOM 482 CG LEU A 30 -4.858 -1.482 8.750 1.00 73.12 C ATOM 483 CD1 LEU A 30 -6.096 -0.793 8.180 1.00 14.53 C ATOM 484 CD2 LEU A 30 -4.923 -2.989 8.524 1.00 2.35 C ATOM 0 H LEU A 30 -1.654 0.303 7.172 1.00 53.11 H new ATOM 0 HA LEU A 30 -4.183 1.171 8.169 1.00 64.32 H new ATOM 0 HB2 LEU A 30 -3.625 -1.025 7.051 1.00 21.22 H new ATOM 0 HB3 LEU A 30 -2.726 -1.486 8.483 1.00 21.22 H new ATOM 0 HG LEU A 30 -4.836 -1.298 9.824 1.00 73.12 H new ATOM 0 HD11 LEU A 30 -6.991 -1.221 8.631 1.00 14.53 H new ATOM 0 HD12 LEU A 30 -6.053 0.273 8.401 1.00 14.53 H new ATOM 0 HD13 LEU A 30 -6.129 -0.939 7.100 1.00 14.53 H new ATOM 0 HD21 LEU A 30 -5.837 -3.384 8.967 1.00 2.35 H new ATOM 0 HD22 LEU A 30 -4.919 -3.197 7.454 1.00 2.35 H new ATOM 0 HD23 LEU A 30 -4.059 -3.464 8.989 1.00 2.35 H new ATOM 496 N LYS A 31 -1.799 1.007 10.312 1.00 65.35 N ATOM 497 CA LYS A 31 -1.424 1.351 11.690 1.00 2.21 C ATOM 498 C LYS A 31 -1.963 2.740 12.082 1.00 53.21 C ATOM 499 O LYS A 31 -2.202 3.020 13.259 1.00 70.11 O ATOM 500 CB LYS A 31 0.106 1.335 11.821 1.00 31.34 C ATOM 501 CG LYS A 31 0.631 1.648 13.225 1.00 61.02 C ATOM 502 CD LYS A 31 2.143 1.877 13.218 1.00 4.21 C ATOM 503 CE LYS A 31 2.521 3.109 12.397 1.00 63.22 C ATOM 504 NZ LYS A 31 3.993 3.286 12.290 1.00 64.44 N ATOM 0 H LYS A 31 -1.011 0.959 9.666 1.00 65.35 H new ATOM 0 HA LYS A 31 -1.863 0.613 12.362 1.00 2.21 H new ATOM 0 HB2 LYS A 31 0.473 0.353 11.521 1.00 31.34 H new ATOM 0 HB3 LYS A 31 0.525 2.059 11.122 1.00 31.34 H new ATOM 0 HG2 LYS A 31 0.129 2.534 13.613 1.00 61.02 H new ATOM 0 HG3 LYS A 31 0.389 0.825 13.897 1.00 61.02 H new ATOM 0 HD2 LYS A 31 2.498 1.998 14.241 1.00 4.21 H new ATOM 0 HD3 LYS A 31 2.643 0.999 12.809 1.00 4.21 H new ATOM 0 HE2 LYS A 31 2.094 3.022 11.398 1.00 63.22 H new ATOM 0 HE3 LYS A 31 2.083 3.996 12.854 1.00 63.22 H new ATOM 0 HZ1 LYS A 31 4.205 4.258 11.987 1.00 64.44 H new ATOM 0 HZ2 LYS A 31 4.432 3.109 13.216 1.00 64.44 H new ATOM 0 HZ3 LYS A 31 4.374 2.615 11.592 1.00 64.44 H new ATOM 518 N ASP A 32 -2.140 3.610 11.087 1.00 62.40 N ATOM 519 CA ASP A 32 -2.594 4.986 11.329 1.00 22.02 C ATOM 520 C ASP A 32 -4.087 5.167 10.993 1.00 71.42 C ATOM 521 O ASP A 32 -4.830 5.795 11.751 1.00 30.23 O ATOM 522 CB ASP A 32 -1.747 5.963 10.507 1.00 53.41 C ATOM 523 CG ASP A 32 -2.062 7.412 10.834 1.00 4.41 C ATOM 524 OD1 ASP A 32 -1.683 7.868 11.934 1.00 53.31 O ATOM 525 OD2 ASP A 32 -2.683 8.106 9.998 1.00 73.45 O ATOM 0 H ASP A 32 -1.977 3.389 10.105 1.00 62.40 H new ATOM 0 HA ASP A 32 -2.470 5.196 12.391 1.00 22.02 H new ATOM 0 HB2 ASP A 32 -0.690 5.772 10.694 1.00 53.41 H new ATOM 0 HB3 ASP A 32 -1.920 5.786 9.445 1.00 53.41 H new ATOM 530 N MET A 33 -4.517 4.623 9.855 1.00 12.35 N ATOM 531 CA MET A 33 -5.908 4.775 9.400 1.00 21.04 C ATOM 532 C MET A 33 -6.687 3.450 9.483 1.00 61.52 C ATOM 533 O MET A 33 -6.134 2.377 9.256 1.00 43.33 O ATOM 534 CB MET A 33 -5.926 5.332 7.967 1.00 42.11 C ATOM 535 CG MET A 33 -5.239 4.446 6.930 1.00 52.13 C ATOM 536 SD MET A 33 -4.933 5.310 5.373 1.00 14.34 S ATOM 537 CE MET A 33 -6.561 5.956 4.996 1.00 34.43 C ATOM 0 H MET A 33 -3.928 4.074 9.229 1.00 12.35 H new ATOM 0 HA MET A 33 -6.408 5.479 10.065 1.00 21.04 H new ATOM 0 HB2 MET A 33 -6.962 5.486 7.664 1.00 42.11 H new ATOM 0 HB3 MET A 33 -5.445 6.310 7.966 1.00 42.11 H new ATOM 0 HG2 MET A 33 -4.293 4.087 7.334 1.00 52.13 H new ATOM 0 HG3 MET A 33 -5.858 3.569 6.739 1.00 52.13 H new ATOM 0 HE1 MET A 33 -6.723 5.927 3.919 1.00 34.43 H new ATOM 0 HE2 MET A 33 -7.317 5.349 5.493 1.00 34.43 H new ATOM 0 HE3 MET A 33 -6.634 6.986 5.346 1.00 34.43 H new ATOM 547 N ASN A 34 -7.980 3.543 9.799 1.00 23.23 N ATOM 548 CA ASN A 34 -8.823 2.357 10.025 1.00 15.30 C ATOM 549 C ASN A 34 -9.186 1.624 8.718 1.00 11.03 C ATOM 550 O ASN A 34 -8.900 2.099 7.616 1.00 22.44 O ATOM 551 CB ASN A 34 -10.103 2.768 10.757 1.00 13.34 C ATOM 552 CG ASN A 34 -9.817 3.387 12.113 1.00 44.25 C ATOM 553 OD1 ASN A 34 -9.729 2.693 13.118 1.00 53.12 O ATOM 554 ND2 ASN A 34 -9.677 4.697 12.156 1.00 60.21 N ATOM 0 H ASN A 34 -8.472 4.430 9.906 1.00 23.23 H new ATOM 0 HA ASN A 34 -8.243 1.662 10.632 1.00 15.30 H new ATOM 0 HB2 ASN A 34 -10.657 3.480 10.145 1.00 13.34 H new ATOM 0 HB3 ASN A 34 -10.742 1.894 10.886 1.00 13.34 H new ATOM 0 HD21 ASN A 34 -9.490 5.161 13.045 1.00 60.21 H new ATOM 0 HD22 ASN A 34 -9.756 5.247 11.300 1.00 60.21 H new ATOM 561 N GLN A 35 -9.853 0.473 8.861 1.00 60.20 N ATOM 562 CA GLN A 35 -10.232 -0.370 7.716 1.00 3.51 C ATOM 563 C GLN A 35 -11.074 0.407 6.688 1.00 40.32 C ATOM 564 O GLN A 35 -10.690 0.539 5.522 1.00 33.21 O ATOM 565 CB GLN A 35 -11.018 -1.601 8.198 1.00 74.30 C ATOM 566 CG GLN A 35 -10.250 -2.504 9.164 1.00 23.31 C ATOM 567 CD GLN A 35 -9.015 -3.147 8.547 1.00 2.32 C ATOM 568 OE1 GLN A 35 -8.038 -3.418 9.234 1.00 53.12 O ATOM 569 NE2 GLN A 35 -9.046 -3.408 7.252 1.00 14.42 N ATOM 0 H GLN A 35 -10.144 0.100 9.765 1.00 60.20 H new ATOM 0 HA GLN A 35 -9.311 -0.689 7.228 1.00 3.51 H new ATOM 0 HB2 GLN A 35 -11.933 -1.264 8.685 1.00 74.30 H new ATOM 0 HB3 GLN A 35 -11.316 -2.189 7.330 1.00 74.30 H new ATOM 0 HG2 GLN A 35 -9.949 -1.919 10.033 1.00 23.31 H new ATOM 0 HG3 GLN A 35 -10.917 -3.288 9.523 1.00 23.31 H new ATOM 0 HE21 GLN A 35 -9.873 -3.172 6.704 1.00 14.42 H new ATOM 0 HE22 GLN A 35 -8.243 -3.846 6.801 1.00 14.42 H new ATOM 578 N SER A 36 -12.224 0.918 7.128 1.00 21.31 N ATOM 579 CA SER A 36 -13.122 1.687 6.250 1.00 24.34 C ATOM 580 C SER A 36 -12.457 2.990 5.785 1.00 4.12 C ATOM 581 O SER A 36 -12.707 3.468 4.676 1.00 14.22 O ATOM 582 CB SER A 36 -14.446 2.000 6.962 1.00 24.04 C ATOM 583 OG SER A 36 -15.349 2.681 6.102 1.00 44.33 O ATOM 0 H SER A 36 -12.560 0.816 8.086 1.00 21.31 H new ATOM 0 HA SER A 36 -13.331 1.073 5.374 1.00 24.34 H new ATOM 0 HB2 SER A 36 -14.902 1.073 7.310 1.00 24.04 H new ATOM 0 HB3 SER A 36 -14.251 2.610 7.844 1.00 24.04 H new ATOM 0 HG SER A 36 -16.183 2.865 6.583 1.00 44.33 H new ATOM 589 N SER A 37 -11.605 3.557 6.638 1.00 32.43 N ATOM 590 CA SER A 37 -10.841 4.765 6.293 1.00 53.53 C ATOM 591 C SER A 37 -9.963 4.525 5.059 1.00 31.11 C ATOM 592 O SER A 37 -9.933 5.340 4.136 1.00 13.01 O ATOM 593 CB SER A 37 -9.956 5.199 7.471 1.00 55.01 C ATOM 594 OG SER A 37 -10.712 5.315 8.663 1.00 14.25 O ATOM 0 H SER A 37 -11.423 3.201 7.577 1.00 32.43 H new ATOM 0 HA SER A 37 -11.557 5.556 6.069 1.00 53.53 H new ATOM 0 HB2 SER A 37 -9.155 4.474 7.614 1.00 55.01 H new ATOM 0 HB3 SER A 37 -9.484 6.154 7.242 1.00 55.01 H new ATOM 0 HG SER A 37 -10.166 5.741 9.357 1.00 14.25 H new ATOM 600 N LEU A 38 -9.251 3.398 5.053 1.00 61.31 N ATOM 601 CA LEU A 38 -8.403 3.019 3.919 1.00 11.21 C ATOM 602 C LEU A 38 -9.248 2.756 2.662 1.00 31.10 C ATOM 603 O LEU A 38 -8.915 3.218 1.568 1.00 21.12 O ATOM 604 CB LEU A 38 -7.571 1.775 4.278 1.00 13.01 C ATOM 605 CG LEU A 38 -6.577 1.303 3.202 1.00 11.41 C ATOM 606 CD1 LEU A 38 -5.557 2.394 2.884 1.00 5.55 C ATOM 607 CD2 LEU A 38 -5.874 0.021 3.648 1.00 75.14 C ATOM 0 H LEU A 38 -9.244 2.729 5.823 1.00 61.31 H new ATOM 0 HA LEU A 38 -7.728 3.847 3.702 1.00 11.21 H new ATOM 0 HB2 LEU A 38 -7.016 1.983 5.193 1.00 13.01 H new ATOM 0 HB3 LEU A 38 -8.254 0.955 4.500 1.00 13.01 H new ATOM 0 HG LEU A 38 -7.138 1.091 2.292 1.00 11.41 H new ATOM 0 HD11 LEU A 38 -4.866 2.035 2.121 1.00 5.55 H new ATOM 0 HD12 LEU A 38 -6.075 3.280 2.517 1.00 5.55 H new ATOM 0 HD13 LEU A 38 -5.001 2.647 3.787 1.00 5.55 H new ATOM 0 HD21 LEU A 38 -5.175 -0.298 2.875 1.00 75.14 H new ATOM 0 HD22 LEU A 38 -5.331 0.207 4.574 1.00 75.14 H new ATOM 0 HD23 LEU A 38 -6.615 -0.762 3.813 1.00 75.14 H new ATOM 619 N ALA A 39 -10.355 2.030 2.833 1.00 51.41 N ATOM 620 CA ALA A 39 -11.272 1.727 1.724 1.00 51.43 C ATOM 621 C ALA A 39 -11.897 3.002 1.128 1.00 20.42 C ATOM 622 O ALA A 39 -12.308 3.018 -0.033 1.00 55.14 O ATOM 623 CB ALA A 39 -12.364 0.769 2.196 1.00 70.12 C ATOM 0 H ALA A 39 -10.642 1.639 3.730 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.691 1.252 0.934 1.00 51.43 H new ATOM 0 HB1 ALA A 39 -13.039 0.550 1.368 1.00 70.12 H new ATOM 0 HB2 ALA A 39 -11.909 -0.157 2.548 1.00 70.12 H new ATOM 0 HB3 ALA A 39 -12.925 1.229 3.009 1.00 70.12 H new ATOM 629 N LYS A 40 -11.972 4.066 1.927 1.00 33.32 N ATOM 630 CA LYS A 40 -12.509 5.351 1.457 1.00 31.51 C ATOM 631 C LYS A 40 -11.519 6.074 0.527 1.00 75.41 C ATOM 632 O LYS A 40 -11.923 6.815 -0.368 1.00 40.33 O ATOM 633 CB LYS A 40 -12.854 6.252 2.655 1.00 73.44 C ATOM 634 CG LYS A 40 -13.436 7.609 2.260 1.00 33.42 C ATOM 635 CD LYS A 40 -13.694 8.502 3.471 1.00 74.52 C ATOM 636 CE LYS A 40 -14.739 7.911 4.411 1.00 61.31 C ATOM 637 NZ LYS A 40 -14.969 8.778 5.598 1.00 43.42 N ATOM 0 H LYS A 40 -11.670 4.068 2.901 1.00 33.32 H new ATOM 0 HA LYS A 40 -13.414 5.142 0.887 1.00 31.51 H new ATOM 0 HB2 LYS A 40 -13.568 5.733 3.294 1.00 73.44 H new ATOM 0 HB3 LYS A 40 -11.954 6.412 3.248 1.00 73.44 H new ATOM 0 HG2 LYS A 40 -12.749 8.112 1.580 1.00 33.42 H new ATOM 0 HG3 LYS A 40 -14.369 7.458 1.717 1.00 33.42 H new ATOM 0 HD2 LYS A 40 -12.761 8.651 4.015 1.00 74.52 H new ATOM 0 HD3 LYS A 40 -14.026 9.483 3.132 1.00 74.52 H new ATOM 0 HE2 LYS A 40 -15.677 7.776 3.873 1.00 61.31 H new ATOM 0 HE3 LYS A 40 -14.415 6.924 4.740 1.00 61.31 H new ATOM 0 HZ1 LYS A 40 -15.686 8.342 6.213 1.00 43.42 H new ATOM 0 HZ2 LYS A 40 -14.080 8.887 6.126 1.00 43.42 H new ATOM 0 HZ3 LYS A 40 -15.303 9.712 5.286 1.00 43.42 H new ATOM 651 N GLU A 41 -10.223 5.857 0.744 1.00 25.12 N ATOM 652 CA GLU A 41 -9.181 6.522 -0.053 1.00 33.23 C ATOM 653 C GLU A 41 -8.775 5.677 -1.273 1.00 43.51 C ATOM 654 O GLU A 41 -8.687 6.180 -2.397 1.00 43.04 O ATOM 655 CB GLU A 41 -7.942 6.792 0.815 1.00 70.52 C ATOM 656 CG GLU A 41 -8.222 7.596 2.085 1.00 44.42 C ATOM 657 CD GLU A 41 -8.786 8.986 1.819 1.00 43.24 C ATOM 658 OE1 GLU A 41 -8.269 9.685 0.923 1.00 33.03 O ATOM 659 OE2 GLU A 41 -9.745 9.387 2.514 1.00 74.52 O ATOM 0 H GLU A 41 -9.865 5.228 1.463 1.00 25.12 H new ATOM 0 HA GLU A 41 -9.594 7.465 -0.411 1.00 33.23 H new ATOM 0 HB2 GLU A 41 -7.495 5.838 1.095 1.00 70.52 H new ATOM 0 HB3 GLU A 41 -7.204 7.327 0.217 1.00 70.52 H new ATOM 0 HG2 GLU A 41 -8.924 7.042 2.708 1.00 44.42 H new ATOM 0 HG3 GLU A 41 -7.298 7.692 2.655 1.00 44.42 H new ATOM 666 N CYS A 42 -8.531 4.387 -1.039 1.00 64.32 N ATOM 667 CA CYS A 42 -8.051 3.472 -2.086 1.00 41.44 C ATOM 668 C CYS A 42 -9.206 2.670 -2.714 1.00 45.12 C ATOM 669 O CYS A 42 -10.096 2.193 -2.007 1.00 3.05 O ATOM 670 CB CYS A 42 -7.013 2.506 -1.499 1.00 64.43 C ATOM 671 SG CYS A 42 -6.226 1.427 -2.718 1.00 41.24 S ATOM 0 H CYS A 42 -8.658 3.946 -0.128 1.00 64.32 H new ATOM 0 HA CYS A 42 -7.594 4.075 -2.870 1.00 41.44 H new ATOM 0 HB2 CYS A 42 -6.241 3.085 -0.992 1.00 64.43 H new ATOM 0 HB3 CYS A 42 -7.496 1.888 -0.743 1.00 64.43 H new ATOM 0 HG CYS A 42 -5.367 0.654 -2.123 1.00 41.24 H new ATOM 677 N PRO A 43 -9.203 2.488 -4.052 1.00 42.53 N ATOM 678 CA PRO A 43 -10.294 1.786 -4.770 1.00 2.01 C ATOM 679 C PRO A 43 -10.278 0.250 -4.593 1.00 12.42 C ATOM 680 O PRO A 43 -10.803 -0.489 -5.432 1.00 40.24 O ATOM 681 CB PRO A 43 -10.025 2.163 -6.234 1.00 22.33 C ATOM 682 CG PRO A 43 -8.547 2.342 -6.302 1.00 11.02 C ATOM 683 CD PRO A 43 -8.146 2.951 -4.981 1.00 2.12 C ATOM 0 HA PRO A 43 -11.274 2.078 -4.393 1.00 2.01 H new ATOM 0 HB2 PRO A 43 -10.363 1.382 -6.915 1.00 22.33 H new ATOM 0 HB3 PRO A 43 -10.550 3.077 -6.512 1.00 22.33 H new ATOM 0 HG2 PRO A 43 -8.044 1.388 -6.462 1.00 11.02 H new ATOM 0 HG3 PRO A 43 -8.269 2.991 -7.132 1.00 11.02 H new ATOM 0 HD2 PRO A 43 -7.159 2.613 -4.666 1.00 2.12 H new ATOM 0 HD3 PRO A 43 -8.108 4.039 -5.036 1.00 2.12 H new ATOM 691 N LEU A 44 -9.687 -0.228 -3.498 1.00 54.02 N ATOM 692 CA LEU A 44 -9.632 -1.665 -3.206 1.00 15.40 C ATOM 693 C LEU A 44 -10.789 -2.091 -2.289 1.00 33.32 C ATOM 694 O LEU A 44 -11.177 -1.361 -1.375 1.00 50.14 O ATOM 695 CB LEU A 44 -8.290 -2.029 -2.555 1.00 50.20 C ATOM 696 CG LEU A 44 -7.044 -1.695 -3.391 1.00 12.52 C ATOM 697 CD1 LEU A 44 -5.771 -2.098 -2.650 1.00 14.32 C ATOM 698 CD2 LEU A 44 -7.111 -2.366 -4.763 1.00 51.10 C ATOM 0 H LEU A 44 -9.238 0.359 -2.795 1.00 54.02 H new ATOM 0 HA LEU A 44 -9.728 -2.200 -4.151 1.00 15.40 H new ATOM 0 HB2 LEU A 44 -8.216 -1.511 -1.599 1.00 50.20 H new ATOM 0 HB3 LEU A 44 -8.287 -3.097 -2.339 1.00 50.20 H new ATOM 0 HG LEU A 44 -7.020 -0.616 -3.545 1.00 12.52 H new ATOM 0 HD11 LEU A 44 -4.902 -1.853 -3.260 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -5.714 -1.559 -1.704 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -5.787 -3.170 -2.456 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -6.218 -2.114 -5.335 1.00 51.10 H new ATOM 0 HD22 LEU A 44 -7.168 -3.447 -4.637 1.00 51.10 H new ATOM 0 HD23 LEU A 44 -7.995 -2.016 -5.297 1.00 51.10 H new ATOM 710 N SER A 45 -11.323 -3.286 -2.532 1.00 75.44 N ATOM 711 CA SER A 45 -12.462 -3.800 -1.757 1.00 74.55 C ATOM 712 C SER A 45 -12.067 -4.091 -0.301 1.00 14.24 C ATOM 713 O SER A 45 -11.048 -4.737 -0.039 1.00 20.43 O ATOM 714 CB SER A 45 -13.022 -5.079 -2.401 1.00 53.25 C ATOM 715 OG SER A 45 -13.439 -4.851 -3.740 1.00 41.13 O ATOM 0 H SER A 45 -10.989 -3.920 -3.258 1.00 75.44 H new ATOM 0 HA SER A 45 -13.230 -3.027 -1.759 1.00 74.55 H new ATOM 0 HB2 SER A 45 -12.261 -5.859 -2.384 1.00 53.25 H new ATOM 0 HB3 SER A 45 -13.865 -5.444 -1.814 1.00 53.25 H new ATOM 0 HG SER A 45 -13.788 -5.684 -4.120 1.00 41.13 H new ATOM 721 N GLN A 46 -12.897 -3.635 0.640 1.00 14.51 N ATOM 722 CA GLN A 46 -12.628 -3.785 2.080 1.00 14.14 C ATOM 723 C GLN A 46 -12.384 -5.260 2.449 1.00 65.30 C ATOM 724 O GLN A 46 -11.431 -5.580 3.163 1.00 22.45 O ATOM 725 CB GLN A 46 -13.808 -3.204 2.887 1.00 1.50 C ATOM 726 CG GLN A 46 -13.491 -2.831 4.343 1.00 23.41 C ATOM 727 CD GLN A 46 -13.386 -4.025 5.281 1.00 3.10 C ATOM 728 OE1 GLN A 46 -12.187 -4.540 5.468 1.00 10.42 O flip ATOM 729 NE2 GLN A 46 -14.376 -4.475 5.849 1.00 63.25 N flip ATOM 0 H GLN A 46 -13.771 -3.153 0.431 1.00 14.51 H new ATOM 0 HA GLN A 46 -11.721 -3.234 2.328 1.00 14.14 H new ATOM 0 HB2 GLN A 46 -14.174 -2.315 2.374 1.00 1.50 H new ATOM 0 HB3 GLN A 46 -14.620 -3.931 2.885 1.00 1.50 H new ATOM 0 HG2 GLN A 46 -12.552 -2.278 4.369 1.00 23.41 H new ATOM 0 HG3 GLN A 46 -14.266 -2.160 4.712 1.00 23.41 H new ATOM 0 HE21 GLN A 46 -15.292 -4.057 5.686 1.00 63.25 H new ATOM 0 HE22 GLN A 46 -14.283 -5.267 6.485 1.00 63.25 H new ATOM 738 N SER A 47 -13.241 -6.152 1.947 1.00 51.41 N ATOM 739 CA SER A 47 -13.089 -7.600 2.180 1.00 25.13 C ATOM 740 C SER A 47 -11.696 -8.097 1.762 1.00 33.35 C ATOM 741 O SER A 47 -11.066 -8.885 2.471 1.00 5.12 O ATOM 742 CB SER A 47 -14.158 -8.389 1.411 1.00 21.34 C ATOM 743 OG SER A 47 -15.468 -8.007 1.802 1.00 33.00 O ATOM 0 H SER A 47 -14.049 -5.903 1.376 1.00 51.41 H new ATOM 0 HA SER A 47 -13.212 -7.766 3.250 1.00 25.13 H new ATOM 0 HB2 SER A 47 -14.034 -8.224 0.341 1.00 21.34 H new ATOM 0 HB3 SER A 47 -14.021 -9.456 1.587 1.00 21.34 H new ATOM 0 HG SER A 47 -16.126 -8.526 1.293 1.00 33.00 H new ATOM 749 N MET A 48 -11.217 -7.624 0.609 1.00 34.05 N ATOM 750 CA MET A 48 -9.889 -8.001 0.108 1.00 13.40 C ATOM 751 C MET A 48 -8.784 -7.478 1.035 1.00 23.51 C ATOM 752 O MET A 48 -7.858 -8.210 1.380 1.00 24.31 O ATOM 753 CB MET A 48 -9.679 -7.473 -1.318 1.00 74.13 C ATOM 754 CG MET A 48 -10.606 -8.115 -2.340 1.00 64.24 C ATOM 755 SD MET A 48 -10.433 -9.911 -2.388 1.00 61.21 S ATOM 756 CE MET A 48 -11.614 -10.343 -3.666 1.00 43.25 C ATOM 0 H MET A 48 -11.727 -6.980 0.004 1.00 34.05 H new ATOM 0 HA MET A 48 -9.834 -9.089 0.089 1.00 13.40 H new ATOM 0 HB2 MET A 48 -9.833 -6.394 -1.325 1.00 74.13 H new ATOM 0 HB3 MET A 48 -8.645 -7.649 -1.615 1.00 74.13 H new ATOM 0 HG2 MET A 48 -11.638 -7.858 -2.103 1.00 64.24 H new ATOM 0 HG3 MET A 48 -10.394 -7.705 -3.328 1.00 64.24 H new ATOM 0 HE1 MET A 48 -11.618 -11.424 -3.807 1.00 43.25 H new ATOM 0 HE2 MET A 48 -12.609 -10.012 -3.369 1.00 43.25 H new ATOM 0 HE3 MET A 48 -11.334 -9.856 -4.600 1.00 43.25 H new ATOM 766 N ILE A 49 -8.899 -6.211 1.439 1.00 64.10 N ATOM 767 CA ILE A 49 -7.959 -5.610 2.393 1.00 74.42 C ATOM 768 C ILE A 49 -7.880 -6.445 3.685 1.00 40.32 C ATOM 769 O ILE A 49 -6.793 -6.732 4.192 1.00 53.31 O ATOM 770 CB ILE A 49 -8.369 -4.154 2.742 1.00 23.02 C ATOM 771 CG1 ILE A 49 -8.426 -3.291 1.467 1.00 74.35 C ATOM 772 CG2 ILE A 49 -7.401 -3.549 3.762 1.00 21.14 C ATOM 773 CD1 ILE A 49 -8.878 -1.863 1.705 1.00 72.14 C ATOM 0 H ILE A 49 -9.634 -5.579 1.121 1.00 64.10 H new ATOM 0 HA ILE A 49 -6.978 -5.594 1.917 1.00 74.42 H new ATOM 0 HB ILE A 49 -9.363 -4.174 3.189 1.00 23.02 H new ATOM 0 HG12 ILE A 49 -7.438 -3.276 1.007 1.00 74.35 H new ATOM 0 HG13 ILE A 49 -9.103 -3.761 0.753 1.00 74.35 H new ATOM 0 HG21 ILE A 49 -7.707 -2.528 3.993 1.00 21.14 H new ATOM 0 HG22 ILE A 49 -7.413 -4.146 4.674 1.00 21.14 H new ATOM 0 HG23 ILE A 49 -6.393 -3.541 3.347 1.00 21.14 H new ATOM 0 HD11 ILE A 49 -8.891 -1.323 0.758 1.00 72.14 H new ATOM 0 HD12 ILE A 49 -9.879 -1.865 2.135 1.00 72.14 H new ATOM 0 HD13 ILE A 49 -8.189 -1.373 2.393 1.00 72.14 H new ATOM 785 N SER A 50 -9.044 -6.846 4.197 1.00 52.31 N ATOM 786 CA SER A 50 -9.119 -7.692 5.397 1.00 62.45 C ATOM 787 C SER A 50 -8.424 -9.041 5.170 1.00 72.32 C ATOM 788 O SER A 50 -7.595 -9.464 5.974 1.00 0.25 O ATOM 789 CB SER A 50 -10.580 -7.934 5.795 1.00 11.41 C ATOM 790 OG SER A 50 -10.668 -8.779 6.930 1.00 74.34 O ATOM 0 H SER A 50 -9.951 -6.600 3.801 1.00 52.31 H new ATOM 0 HA SER A 50 -8.606 -7.165 6.202 1.00 62.45 H new ATOM 0 HB2 SER A 50 -11.064 -6.981 6.009 1.00 11.41 H new ATOM 0 HB3 SER A 50 -11.117 -8.384 4.960 1.00 11.41 H new ATOM 0 HG SER A 50 -11.610 -8.916 7.164 1.00 74.34 H new ATOM 796 N SER A 51 -8.758 -9.704 4.062 1.00 13.22 N ATOM 797 CA SER A 51 -8.147 -10.998 3.710 1.00 62.14 C ATOM 798 C SER A 51 -6.613 -10.916 3.695 1.00 71.15 C ATOM 799 O SER A 51 -5.927 -11.817 4.188 1.00 4.11 O ATOM 800 CB SER A 51 -8.647 -11.471 2.337 1.00 70.11 C ATOM 801 OG SER A 51 -8.020 -12.684 1.949 1.00 44.11 O ATOM 0 H SER A 51 -9.448 -9.371 3.389 1.00 13.22 H new ATOM 0 HA SER A 51 -8.444 -11.715 4.475 1.00 62.14 H new ATOM 0 HB2 SER A 51 -9.727 -11.612 2.370 1.00 70.11 H new ATOM 0 HB3 SER A 51 -8.449 -10.702 1.591 1.00 70.11 H new ATOM 0 HG SER A 51 -8.359 -12.961 1.072 1.00 44.11 H new ATOM 807 N ILE A 52 -6.083 -9.828 3.137 1.00 54.41 N ATOM 808 CA ILE A 52 -4.634 -9.600 3.092 1.00 65.11 C ATOM 809 C ILE A 52 -4.042 -9.460 4.505 1.00 54.14 C ATOM 810 O ILE A 52 -3.045 -10.102 4.842 1.00 61.51 O ATOM 811 CB ILE A 52 -4.294 -8.331 2.265 1.00 23.15 C ATOM 812 CG1 ILE A 52 -4.787 -8.487 0.815 1.00 31.13 C ATOM 813 CG2 ILE A 52 -2.791 -8.051 2.293 1.00 51.32 C ATOM 814 CD1 ILE A 52 -4.574 -7.258 -0.049 1.00 2.34 C ATOM 0 H ILE A 52 -6.636 -9.086 2.707 1.00 54.41 H new ATOM 0 HA ILE A 52 -4.190 -10.471 2.610 1.00 65.11 H new ATOM 0 HB ILE A 52 -4.806 -7.481 2.716 1.00 23.15 H new ATOM 0 HG12 ILE A 52 -4.274 -9.333 0.357 1.00 31.13 H new ATOM 0 HG13 ILE A 52 -5.850 -8.728 0.828 1.00 31.13 H new ATOM 0 HG21 ILE A 52 -2.576 -7.157 1.707 1.00 51.32 H new ATOM 0 HG22 ILE A 52 -2.469 -7.896 3.323 1.00 51.32 H new ATOM 0 HG23 ILE A 52 -2.255 -8.900 1.869 1.00 51.32 H new ATOM 0 HD11 ILE A 52 -4.948 -7.451 -1.054 1.00 2.34 H new ATOM 0 HD12 ILE A 52 -5.111 -6.413 0.382 1.00 2.34 H new ATOM 0 HD13 ILE A 52 -3.510 -7.026 -0.096 1.00 2.34 H new ATOM 826 N VAL A 53 -4.661 -8.620 5.331 1.00 53.41 N ATOM 827 CA VAL A 53 -4.201 -8.414 6.711 1.00 53.11 C ATOM 828 C VAL A 53 -4.275 -9.717 7.528 1.00 10.43 C ATOM 829 O VAL A 53 -3.348 -10.056 8.265 1.00 31.24 O ATOM 830 CB VAL A 53 -5.028 -7.312 7.419 1.00 54.14 C ATOM 831 CG1 VAL A 53 -4.558 -7.111 8.861 1.00 40.01 C ATOM 832 CG2 VAL A 53 -4.959 -6.002 6.635 1.00 61.15 C ATOM 0 H VAL A 53 -5.481 -8.070 5.074 1.00 53.41 H new ATOM 0 HA VAL A 53 -3.160 -8.094 6.655 1.00 53.11 H new ATOM 0 HB VAL A 53 -6.068 -7.637 7.451 1.00 54.14 H new ATOM 0 HG11 VAL A 53 -5.156 -6.332 9.333 1.00 40.01 H new ATOM 0 HG12 VAL A 53 -4.674 -8.043 9.415 1.00 40.01 H new ATOM 0 HG13 VAL A 53 -3.509 -6.815 8.864 1.00 40.01 H new ATOM 0 HG21 VAL A 53 -5.546 -5.240 7.148 1.00 61.15 H new ATOM 0 HG22 VAL A 53 -3.922 -5.675 6.564 1.00 61.15 H new ATOM 0 HG23 VAL A 53 -5.360 -6.156 5.633 1.00 61.15 H new ATOM 842 N ASN A 54 -5.371 -10.453 7.367 1.00 52.44 N ATOM 843 CA ASN A 54 -5.583 -11.716 8.087 1.00 73.21 C ATOM 844 C ASN A 54 -4.688 -12.847 7.549 1.00 24.14 C ATOM 845 O ASN A 54 -4.386 -13.799 8.272 1.00 63.24 O ATOM 846 CB ASN A 54 -7.057 -12.129 7.987 1.00 75.11 C ATOM 847 CG ASN A 54 -7.997 -11.070 8.535 1.00 43.12 C ATOM 848 OD1 ASN A 54 -7.654 -10.333 9.452 1.00 44.01 O ATOM 849 ND2 ASN A 54 -9.191 -10.989 7.983 1.00 73.14 N ATOM 0 H ASN A 54 -6.134 -10.198 6.740 1.00 52.44 H new ATOM 0 HA ASN A 54 -5.312 -11.550 9.130 1.00 73.21 H new ATOM 0 HB2 ASN A 54 -7.306 -12.326 6.944 1.00 75.11 H new ATOM 0 HB3 ASN A 54 -7.208 -13.061 8.532 1.00 75.11 H new ATOM 0 HD21 ASN A 54 -9.862 -10.297 8.318 1.00 73.14 H new ATOM 0 HD22 ASN A 54 -9.444 -11.618 7.221 1.00 73.14 H new ATOM 856 N SER A 55 -4.283 -12.740 6.277 1.00 3.31 N ATOM 857 CA SER A 55 -3.453 -13.767 5.610 1.00 70.44 C ATOM 858 C SER A 55 -4.028 -15.177 5.810 1.00 71.54 C ATOM 859 O SER A 55 -3.374 -16.057 6.372 1.00 22.31 O ATOM 860 CB SER A 55 -1.986 -13.706 6.088 1.00 63.32 C ATOM 861 OG SER A 55 -1.863 -13.917 7.488 1.00 43.11 O ATOM 0 H SER A 55 -4.516 -11.947 5.680 1.00 3.31 H new ATOM 0 HA SER A 55 -3.471 -13.546 4.543 1.00 70.44 H new ATOM 0 HB2 SER A 55 -1.402 -14.458 5.557 1.00 63.32 H new ATOM 0 HB3 SER A 55 -1.563 -12.735 5.831 1.00 63.32 H new ATOM 0 HG SER A 55 -2.701 -14.285 7.838 1.00 43.11 H new ATOM 867 N THR A 56 -5.257 -15.382 5.339 1.00 33.03 N ATOM 868 CA THR A 56 -5.990 -16.632 5.590 1.00 13.41 C ATOM 869 C THR A 56 -5.877 -17.649 4.439 1.00 71.13 C ATOM 870 O THR A 56 -5.074 -18.582 4.504 1.00 72.43 O ATOM 871 CB THR A 56 -7.488 -16.351 5.869 1.00 30.11 C ATOM 872 OG1 THR A 56 -8.050 -15.590 4.788 1.00 23.24 O ATOM 873 CG2 THR A 56 -7.671 -15.586 7.175 1.00 53.05 C ATOM 0 H THR A 56 -5.771 -14.701 4.780 1.00 33.03 H new ATOM 0 HA THR A 56 -5.520 -17.074 6.469 1.00 13.41 H new ATOM 0 HB THR A 56 -8.001 -17.309 5.955 1.00 30.11 H new ATOM 0 HG1 THR A 56 -8.731 -16.126 4.330 1.00 23.24 H new ATOM 0 HG21 THR A 56 -8.732 -15.403 7.344 1.00 53.05 H new ATOM 0 HG22 THR A 56 -7.268 -16.173 8.000 1.00 53.05 H new ATOM 0 HG23 THR A 56 -7.144 -14.634 7.116 1.00 53.05 H new ATOM 881 N TYR A 57 -6.678 -17.468 3.383 1.00 72.42 N ATOM 882 CA TYR A 57 -6.804 -18.487 2.324 1.00 3.30 C ATOM 883 C TYR A 57 -6.427 -17.969 0.923 1.00 4.43 C ATOM 884 O TYR A 57 -6.787 -18.585 -0.080 1.00 63.00 O ATOM 885 CB TYR A 57 -8.244 -19.031 2.307 1.00 53.11 C ATOM 886 CG TYR A 57 -9.316 -17.972 2.063 1.00 14.23 C ATOM 887 CD1 TYR A 57 -9.617 -17.540 0.774 1.00 35.43 C ATOM 888 CD2 TYR A 57 -10.027 -17.410 3.120 1.00 32.32 C ATOM 889 CE1 TYR A 57 -10.586 -16.584 0.549 1.00 23.42 C ATOM 890 CE2 TYR A 57 -10.999 -16.452 2.898 1.00 55.21 C ATOM 891 CZ TYR A 57 -11.274 -16.043 1.611 1.00 72.41 C ATOM 892 OH TYR A 57 -12.248 -15.096 1.383 1.00 21.03 O ATOM 0 H TYR A 57 -7.246 -16.634 3.235 1.00 72.42 H new ATOM 0 HA TYR A 57 -6.093 -19.278 2.562 1.00 3.30 H new ATOM 0 HB2 TYR A 57 -8.322 -19.794 1.533 1.00 53.11 H new ATOM 0 HB3 TYR A 57 -8.445 -19.521 3.259 1.00 53.11 H new ATOM 0 HD1 TYR A 57 -9.082 -17.961 -0.065 1.00 35.43 H new ATOM 0 HD2 TYR A 57 -9.816 -17.728 4.130 1.00 32.32 H new ATOM 0 HE1 TYR A 57 -10.804 -16.261 -0.458 1.00 23.42 H new ATOM 0 HE2 TYR A 57 -11.540 -16.026 3.730 1.00 55.21 H new ATOM 0 HH TYR A 57 -12.639 -14.817 2.237 1.00 21.03 H new ATOM 902 N TYR A 58 -5.700 -16.860 0.842 1.00 60.44 N ATOM 903 CA TYR A 58 -5.329 -16.294 -0.466 1.00 60.42 C ATOM 904 C TYR A 58 -3.850 -16.567 -0.795 1.00 20.44 C ATOM 905 O TYR A 58 -2.987 -16.517 0.085 1.00 42.43 O ATOM 906 CB TYR A 58 -5.610 -14.778 -0.507 1.00 65.43 C ATOM 907 CG TYR A 58 -4.557 -13.924 0.185 1.00 2.43 C ATOM 908 CD1 TYR A 58 -4.556 -13.763 1.567 1.00 72.44 C ATOM 909 CD2 TYR A 58 -3.558 -13.283 -0.549 1.00 74.53 C ATOM 910 CE1 TYR A 58 -3.595 -12.993 2.193 1.00 32.25 C ATOM 911 CE2 TYR A 58 -2.596 -12.511 0.075 1.00 22.44 C ATOM 912 CZ TYR A 58 -2.618 -12.373 1.446 1.00 5.52 C ATOM 913 OH TYR A 58 -1.659 -11.608 2.075 1.00 21.13 O ATOM 0 H TYR A 58 -5.357 -16.337 1.647 1.00 60.44 H new ATOM 0 HA TYR A 58 -5.943 -16.785 -1.221 1.00 60.42 H new ATOM 0 HB2 TYR A 58 -5.689 -14.464 -1.548 1.00 65.43 H new ATOM 0 HB3 TYR A 58 -6.577 -14.588 -0.042 1.00 65.43 H new ATOM 0 HD1 TYR A 58 -5.318 -14.247 2.159 1.00 72.44 H new ATOM 0 HD2 TYR A 58 -3.536 -13.392 -1.623 1.00 74.53 H new ATOM 0 HE1 TYR A 58 -3.610 -12.877 3.267 1.00 32.25 H new ATOM 0 HE2 TYR A 58 -1.832 -12.019 -0.508 1.00 22.44 H new ATOM 0 HH TYR A 58 -1.043 -11.241 1.407 1.00 21.13 H new ATOM 923 N ALA A 59 -3.563 -16.857 -2.063 1.00 43.03 N ATOM 924 CA ALA A 59 -2.182 -17.046 -2.525 1.00 31.40 C ATOM 925 C ALA A 59 -1.787 -15.938 -3.518 1.00 5.12 C ATOM 926 O ALA A 59 -1.193 -14.929 -3.132 1.00 14.14 O ATOM 927 CB ALA A 59 -2.019 -18.430 -3.145 1.00 30.13 C ATOM 0 H ALA A 59 -4.267 -16.967 -2.793 1.00 43.03 H new ATOM 0 HA ALA A 59 -1.511 -16.978 -1.668 1.00 31.40 H new ATOM 0 HB1 ALA A 59 -0.991 -18.558 -3.484 1.00 30.13 H new ATOM 0 HB2 ALA A 59 -2.254 -19.192 -2.401 1.00 30.13 H new ATOM 0 HB3 ALA A 59 -2.696 -18.531 -3.994 1.00 30.13 H new ATOM 933 N ASN A 60 -2.137 -16.109 -4.794 1.00 22.42 N ATOM 934 CA ASN A 60 -1.926 -15.056 -5.796 1.00 44.54 C ATOM 935 C ASN A 60 -3.120 -14.086 -5.811 1.00 53.01 C ATOM 936 O ASN A 60 -4.247 -14.468 -5.494 1.00 54.21 O ATOM 937 CB ASN A 60 -1.710 -15.666 -7.185 1.00 61.04 C ATOM 938 CG ASN A 60 -1.336 -14.623 -8.225 1.00 1.30 C ATOM 939 OD1 ASN A 60 -0.728 -13.604 -7.909 1.00 73.33 O ATOM 940 ND2 ASN A 60 -1.693 -14.865 -9.469 1.00 41.45 N ATOM 0 H ASN A 60 -2.565 -16.960 -5.159 1.00 22.42 H new ATOM 0 HA ASN A 60 -1.029 -14.498 -5.527 1.00 44.54 H new ATOM 0 HB2 ASN A 60 -0.923 -16.418 -7.130 1.00 61.04 H new ATOM 0 HB3 ASN A 60 -2.619 -16.178 -7.499 1.00 61.04 H new ATOM 0 HD21 ASN A 60 -1.465 -14.196 -10.204 1.00 41.45 H new ATOM 0 HD22 ASN A 60 -2.197 -15.722 -9.697 1.00 41.45 H new ATOM 947 N VAL A 61 -2.879 -12.835 -6.190 1.00 44.22 N ATOM 948 CA VAL A 61 -3.915 -11.797 -6.123 1.00 21.12 C ATOM 949 C VAL A 61 -4.317 -11.301 -7.524 1.00 22.52 C ATOM 950 O VAL A 61 -3.519 -11.342 -8.459 1.00 63.52 O ATOM 951 CB VAL A 61 -3.440 -10.604 -5.254 1.00 13.11 C ATOM 952 CG1 VAL A 61 -2.268 -9.878 -5.909 1.00 52.10 C ATOM 953 CG2 VAL A 61 -4.593 -9.648 -4.961 1.00 53.31 C ATOM 0 H VAL A 61 -1.980 -12.511 -6.546 1.00 44.22 H new ATOM 0 HA VAL A 61 -4.794 -12.247 -5.661 1.00 21.12 H new ATOM 0 HB VAL A 61 -3.089 -11.001 -4.302 1.00 13.11 H new ATOM 0 HG11 VAL A 61 -1.956 -9.046 -5.277 1.00 52.10 H new ATOM 0 HG12 VAL A 61 -1.435 -10.570 -6.035 1.00 52.10 H new ATOM 0 HG13 VAL A 61 -2.574 -9.498 -6.884 1.00 52.10 H new ATOM 0 HG21 VAL A 61 -4.233 -8.820 -4.350 1.00 53.31 H new ATOM 0 HG22 VAL A 61 -4.992 -9.260 -5.899 1.00 53.31 H new ATOM 0 HG23 VAL A 61 -5.379 -10.180 -4.425 1.00 53.31 H new ATOM 963 N SER A 62 -5.560 -10.837 -7.657 1.00 4.41 N ATOM 964 CA SER A 62 -6.088 -10.359 -8.946 1.00 2.32 C ATOM 965 C SER A 62 -5.296 -9.151 -9.480 1.00 20.33 C ATOM 966 O SER A 62 -4.756 -8.354 -8.707 1.00 25.21 O ATOM 967 CB SER A 62 -7.567 -9.980 -8.803 1.00 31.44 C ATOM 968 OG SER A 62 -8.322 -11.035 -8.222 1.00 11.31 O ATOM 0 H SER A 62 -6.227 -10.780 -6.887 1.00 4.41 H new ATOM 0 HA SER A 62 -5.982 -11.174 -9.662 1.00 2.32 H new ATOM 0 HB2 SER A 62 -7.656 -9.085 -8.187 1.00 31.44 H new ATOM 0 HB3 SER A 62 -7.977 -9.735 -9.783 1.00 31.44 H new ATOM 0 HG SER A 62 -9.260 -10.761 -8.143 1.00 11.31 H new ATOM 974 N ALA A 63 -5.260 -9.009 -10.806 1.00 31.22 N ATOM 975 CA ALA A 63 -4.455 -7.973 -11.473 1.00 60.15 C ATOM 976 C ALA A 63 -4.806 -6.548 -11.006 1.00 44.02 C ATOM 977 O ALA A 63 -3.933 -5.800 -10.558 1.00 52.43 O ATOM 978 CB ALA A 63 -4.621 -8.079 -12.983 1.00 2.33 C ATOM 0 H ALA A 63 -5.784 -9.603 -11.449 1.00 31.22 H new ATOM 0 HA ALA A 63 -3.416 -8.151 -11.196 1.00 60.15 H new ATOM 0 HB1 ALA A 63 -4.022 -7.309 -13.470 1.00 2.33 H new ATOM 0 HB2 ALA A 63 -4.289 -9.062 -13.317 1.00 2.33 H new ATOM 0 HB3 ALA A 63 -5.670 -7.942 -13.244 1.00 2.33 H new ATOM 984 N ALA A 64 -6.082 -6.176 -11.109 1.00 61.40 N ATOM 985 CA ALA A 64 -6.532 -4.818 -10.755 1.00 22.31 C ATOM 986 C ALA A 64 -6.129 -4.423 -9.325 1.00 30.32 C ATOM 987 O ALA A 64 -5.798 -3.264 -9.063 1.00 24.21 O ATOM 988 CB ALA A 64 -8.042 -4.700 -10.928 1.00 20.32 C ATOM 0 H ALA A 64 -6.827 -6.792 -11.434 1.00 61.40 H new ATOM 0 HA ALA A 64 -6.034 -4.126 -11.434 1.00 22.31 H new ATOM 0 HB1 ALA A 64 -8.361 -3.692 -10.663 1.00 20.32 H new ATOM 0 HB2 ALA A 64 -8.306 -4.903 -11.966 1.00 20.32 H new ATOM 0 HB3 ALA A 64 -8.540 -5.420 -10.279 1.00 20.32 H new ATOM 994 N LYS A 65 -6.144 -5.396 -8.408 1.00 63.55 N ATOM 995 CA LYS A 65 -5.753 -5.165 -7.008 1.00 61.23 C ATOM 996 C LYS A 65 -4.318 -4.609 -6.928 1.00 12.32 C ATOM 997 O LYS A 65 -3.948 -3.933 -5.971 1.00 40.40 O ATOM 998 CB LYS A 65 -5.854 -6.487 -6.211 1.00 1.41 C ATOM 999 CG LYS A 65 -6.279 -6.334 -4.742 1.00 23.11 C ATOM 1000 CD LYS A 65 -5.270 -5.573 -3.870 1.00 42.41 C ATOM 1001 CE LYS A 65 -3.952 -6.327 -3.659 1.00 43.11 C ATOM 1002 NZ LYS A 65 -3.060 -6.280 -4.851 1.00 23.51 N ATOM 0 H LYS A 65 -6.424 -6.356 -8.609 1.00 63.55 H new ATOM 0 HA LYS A 65 -6.431 -4.430 -6.574 1.00 61.23 H new ATOM 0 HB2 LYS A 65 -6.567 -7.142 -6.713 1.00 1.41 H new ATOM 0 HB3 LYS A 65 -4.886 -6.987 -6.242 1.00 1.41 H new ATOM 0 HG2 LYS A 65 -7.237 -5.816 -4.705 1.00 23.11 H new ATOM 0 HG3 LYS A 65 -6.436 -7.325 -4.316 1.00 23.11 H new ATOM 0 HD2 LYS A 65 -5.058 -4.609 -4.332 1.00 42.41 H new ATOM 0 HD3 LYS A 65 -5.722 -5.369 -2.899 1.00 42.41 H new ATOM 0 HE2 LYS A 65 -3.429 -5.901 -2.803 1.00 43.11 H new ATOM 0 HE3 LYS A 65 -4.169 -7.367 -3.415 1.00 43.11 H new ATOM 0 HZ1 LYS A 65 -2.093 -6.542 -4.572 1.00 23.51 H new ATOM 0 HZ2 LYS A 65 -3.406 -6.947 -5.570 1.00 23.51 H new ATOM 0 HZ3 LYS A 65 -3.057 -5.317 -5.245 1.00 23.51 H new ATOM 1016 N CYS A 66 -3.501 -4.937 -7.922 1.00 42.10 N ATOM 1017 CA CYS A 66 -2.110 -4.467 -7.978 1.00 71.32 C ATOM 1018 C CYS A 66 -1.983 -3.225 -8.871 1.00 31.42 C ATOM 1019 O CYS A 66 -1.402 -2.213 -8.473 1.00 14.34 O ATOM 1020 CB CYS A 66 -1.193 -5.581 -8.503 1.00 3.35 C ATOM 1021 SG CYS A 66 0.572 -5.216 -8.357 1.00 33.12 S ATOM 0 H CYS A 66 -3.774 -5.529 -8.707 1.00 42.10 H new ATOM 0 HA CYS A 66 -1.805 -4.197 -6.967 1.00 71.32 H new ATOM 0 HB2 CYS A 66 -1.409 -6.501 -7.959 1.00 3.35 H new ATOM 0 HB3 CYS A 66 -1.429 -5.767 -9.551 1.00 3.35 H new ATOM 0 HG CYS A 66 1.262 -6.214 -8.824 1.00 33.12 H new ATOM 1027 N GLN A 67 -2.557 -3.307 -10.072 1.00 33.34 N ATOM 1028 CA GLN A 67 -2.493 -2.220 -11.058 1.00 50.03 C ATOM 1029 C GLN A 67 -3.069 -0.905 -10.513 1.00 64.51 C ATOM 1030 O GLN A 67 -2.356 0.090 -10.378 1.00 52.25 O ATOM 1031 CB GLN A 67 -3.261 -2.615 -12.325 1.00 32.05 C ATOM 1032 CG GLN A 67 -2.747 -3.881 -12.999 1.00 53.03 C ATOM 1033 CD GLN A 67 -3.557 -4.263 -14.228 1.00 40.20 C ATOM 1034 OE1 GLN A 67 -3.705 -5.434 -14.546 1.00 55.30 O ATOM 1035 NE2 GLN A 67 -4.076 -3.279 -14.939 1.00 14.31 N ATOM 0 H GLN A 67 -3.078 -4.124 -10.391 1.00 33.34 H new ATOM 0 HA GLN A 67 -1.440 -2.058 -11.287 1.00 50.03 H new ATOM 0 HB2 GLN A 67 -4.312 -2.753 -12.071 1.00 32.05 H new ATOM 0 HB3 GLN A 67 -3.211 -1.792 -13.038 1.00 32.05 H new ATOM 0 HG2 GLN A 67 -1.705 -3.737 -13.286 1.00 53.03 H new ATOM 0 HG3 GLN A 67 -2.770 -4.703 -12.284 1.00 53.03 H new ATOM 0 HE21 GLN A 67 -3.936 -2.311 -14.649 1.00 14.31 H new ATOM 0 HE22 GLN A 67 -4.617 -3.487 -15.778 1.00 14.31 H new ATOM 1044 N GLU A 68 -4.364 -0.908 -10.198 1.00 72.45 N ATOM 1045 CA GLU A 68 -5.047 0.308 -9.756 1.00 43.50 C ATOM 1046 C GLU A 68 -4.519 0.789 -8.394 1.00 32.55 C ATOM 1047 O GLU A 68 -4.674 1.958 -8.043 1.00 63.33 O ATOM 1048 CB GLU A 68 -6.567 0.084 -9.702 1.00 4.02 C ATOM 1049 CG GLU A 68 -7.172 -0.398 -11.023 1.00 25.22 C ATOM 1050 CD GLU A 68 -6.837 0.500 -12.211 1.00 34.41 C ATOM 1051 OE1 GLU A 68 -7.449 1.583 -12.345 1.00 33.45 O ATOM 1052 OE2 GLU A 68 -5.973 0.118 -13.031 1.00 54.42 O ATOM 0 H GLU A 68 -4.959 -1.735 -10.240 1.00 72.45 H new ATOM 0 HA GLU A 68 -4.837 1.091 -10.485 1.00 43.50 H new ATOM 0 HB2 GLU A 68 -6.789 -0.647 -8.924 1.00 4.02 H new ATOM 0 HB3 GLU A 68 -7.051 1.016 -9.411 1.00 4.02 H new ATOM 0 HG2 GLU A 68 -6.816 -1.407 -11.229 1.00 25.22 H new ATOM 0 HG3 GLU A 68 -8.255 -0.457 -10.917 1.00 25.22 H new ATOM 1059 N PHE A 69 -3.888 -0.114 -7.638 1.00 3.22 N ATOM 1060 CA PHE A 69 -3.236 0.252 -6.375 1.00 52.53 C ATOM 1061 C PHE A 69 -1.990 1.113 -6.636 1.00 51.34 C ATOM 1062 O PHE A 69 -1.852 2.207 -6.083 1.00 42.30 O ATOM 1063 CB PHE A 69 -2.856 -1.007 -5.579 1.00 14.40 C ATOM 1064 CG PHE A 69 -2.119 -0.710 -4.295 1.00 25.13 C ATOM 1065 CD1 PHE A 69 -2.786 -0.171 -3.204 1.00 54.54 C ATOM 1066 CD2 PHE A 69 -0.760 -0.970 -4.181 1.00 63.12 C ATOM 1067 CE1 PHE A 69 -2.113 0.106 -2.030 1.00 23.24 C ATOM 1068 CE2 PHE A 69 -0.085 -0.693 -3.009 1.00 64.13 C ATOM 1069 CZ PHE A 69 -0.761 -0.157 -1.931 1.00 0.23 C ATOM 0 H PHE A 69 -3.814 -1.103 -7.877 1.00 3.22 H new ATOM 0 HA PHE A 69 -3.942 0.837 -5.785 1.00 52.53 H new ATOM 0 HB2 PHE A 69 -3.762 -1.567 -5.347 1.00 14.40 H new ATOM 0 HB3 PHE A 69 -2.235 -1.649 -6.204 1.00 14.40 H new ATOM 0 HD1 PHE A 69 -3.844 0.034 -3.274 1.00 54.54 H new ATOM 0 HD2 PHE A 69 -0.225 -1.394 -5.018 1.00 63.12 H new ATOM 0 HE1 PHE A 69 -2.644 0.528 -1.190 1.00 23.24 H new ATOM 0 HE2 PHE A 69 0.973 -0.896 -2.935 1.00 64.13 H new ATOM 0 HZ PHE A 69 -0.234 0.056 -1.013 1.00 0.23 H new ATOM 1079 N GLY A 70 -1.086 0.613 -7.481 1.00 21.55 N ATOM 1080 CA GLY A 70 0.085 1.391 -7.880 1.00 72.23 C ATOM 1081 C GLY A 70 -0.300 2.681 -8.599 1.00 70.02 C ATOM 1082 O GLY A 70 0.289 3.741 -8.370 1.00 43.51 O ATOM 0 H GLY A 70 -1.142 -0.316 -7.897 1.00 21.55 H new ATOM 0 HA2 GLY A 70 0.678 1.632 -6.997 1.00 72.23 H new ATOM 0 HA3 GLY A 70 0.716 0.787 -8.533 1.00 72.23 H new ATOM 1086 N ARG A 71 -1.300 2.583 -9.470 1.00 31.42 N ATOM 1087 CA ARG A 71 -1.872 3.751 -10.146 1.00 75.44 C ATOM 1088 C ARG A 71 -2.404 4.766 -9.117 1.00 13.42 C ATOM 1089 O ARG A 71 -2.203 5.972 -9.250 1.00 30.25 O ATOM 1090 CB ARG A 71 -3.001 3.299 -11.082 1.00 74.03 C ATOM 1091 CG ARG A 71 -3.633 4.424 -11.893 1.00 54.52 C ATOM 1092 CD ARG A 71 -4.780 3.906 -12.754 1.00 32.34 C ATOM 1093 NE ARG A 71 -5.359 4.949 -13.594 1.00 74.55 N ATOM 1094 CZ ARG A 71 -6.470 4.814 -14.264 1.00 61.23 C ATOM 1095 NH1 ARG A 71 -7.172 3.727 -14.171 1.00 53.22 N ATOM 1096 NH2 ARG A 71 -6.889 5.777 -15.018 1.00 73.10 N ATOM 0 H ARG A 71 -1.737 1.698 -9.728 1.00 31.42 H new ATOM 0 HA ARG A 71 -1.093 4.239 -10.732 1.00 75.44 H new ATOM 0 HB2 ARG A 71 -2.609 2.548 -11.768 1.00 74.03 H new ATOM 0 HB3 ARG A 71 -3.777 2.815 -10.489 1.00 74.03 H new ATOM 0 HG2 ARG A 71 -4.001 5.199 -11.220 1.00 54.52 H new ATOM 0 HG3 ARG A 71 -2.878 4.886 -12.529 1.00 54.52 H new ATOM 0 HD2 ARG A 71 -4.419 3.094 -13.385 1.00 32.34 H new ATOM 0 HD3 ARG A 71 -5.555 3.490 -12.110 1.00 32.34 H new ATOM 0 HE ARG A 71 -4.865 5.839 -13.661 1.00 74.55 H new ATOM 0 HH11 ARG A 71 -6.857 2.966 -13.569 1.00 53.22 H new ATOM 0 HH12 ARG A 71 -8.039 3.633 -14.700 1.00 53.22 H new ATOM 0 HH21 ARG A 71 -6.351 6.641 -15.088 1.00 73.10 H new ATOM 0 HH22 ARG A 71 -7.758 5.673 -15.543 1.00 73.10 H new ATOM 1110 N TRP A 72 -3.076 4.259 -8.085 1.00 4.03 N ATOM 1111 CA TRP A 72 -3.554 5.096 -6.976 1.00 35.50 C ATOM 1112 C TRP A 72 -2.375 5.702 -6.199 1.00 35.14 C ATOM 1113 O TRP A 72 -2.418 6.861 -5.781 1.00 53.14 O ATOM 1114 CB TRP A 72 -4.442 4.262 -6.039 1.00 62.33 C ATOM 1115 CG TRP A 72 -4.896 4.994 -4.811 1.00 75.23 C ATOM 1116 CD1 TRP A 72 -5.925 5.886 -4.719 1.00 43.25 C ATOM 1117 CD2 TRP A 72 -4.342 4.884 -3.496 1.00 2.35 C ATOM 1118 NE1 TRP A 72 -6.041 6.337 -3.428 1.00 2.53 N ATOM 1119 CE2 TRP A 72 -5.082 5.738 -2.659 1.00 51.23 C ATOM 1120 CE3 TRP A 72 -3.292 4.144 -2.945 1.00 5.04 C ATOM 1121 CZ2 TRP A 72 -4.806 5.874 -1.303 1.00 34.24 C ATOM 1122 CZ3 TRP A 72 -3.018 4.280 -1.598 1.00 32.22 C ATOM 1123 CH2 TRP A 72 -3.774 5.139 -0.789 1.00 3.03 C ATOM 0 H TRP A 72 -3.304 3.269 -7.990 1.00 4.03 H new ATOM 0 HA TRP A 72 -4.142 5.916 -7.388 1.00 35.50 H new ATOM 0 HB2 TRP A 72 -5.318 3.924 -6.592 1.00 62.33 H new ATOM 0 HB3 TRP A 72 -3.894 3.370 -5.735 1.00 62.33 H new ATOM 0 HD1 TRP A 72 -6.555 6.192 -5.541 1.00 43.25 H new ATOM 0 HE1 TRP A 72 -6.731 7.010 -3.096 1.00 2.53 H new ATOM 0 HE3 TRP A 72 -2.706 3.478 -3.561 1.00 5.04 H new ATOM 0 HZ2 TRP A 72 -5.386 6.537 -0.678 1.00 34.24 H new ATOM 0 HZ3 TRP A 72 -2.208 3.715 -1.161 1.00 32.22 H new ATOM 0 HH2 TRP A 72 -3.537 5.222 0.261 1.00 3.03 H new ATOM 1134 N TYR A 73 -1.315 4.917 -6.032 1.00 21.24 N ATOM 1135 CA TYR A 73 -0.111 5.370 -5.330 1.00 34.23 C ATOM 1136 C TYR A 73 0.542 6.543 -6.080 1.00 45.04 C ATOM 1137 O TYR A 73 1.162 7.422 -5.475 1.00 3.41 O ATOM 1138 CB TYR A 73 0.873 4.200 -5.177 1.00 10.04 C ATOM 1139 CG TYR A 73 1.835 4.350 -4.013 1.00 65.25 C ATOM 1140 CD1 TYR A 73 1.457 3.978 -2.727 1.00 3.01 C ATOM 1141 CD2 TYR A 73 3.117 4.856 -4.197 1.00 71.42 C ATOM 1142 CE1 TYR A 73 2.324 4.106 -1.661 1.00 2.34 C ATOM 1143 CE2 TYR A 73 3.992 4.985 -3.134 1.00 23.15 C ATOM 1144 CZ TYR A 73 3.590 4.609 -1.870 1.00 53.13 C ATOM 1145 OH TYR A 73 4.461 4.726 -0.808 1.00 72.31 O ATOM 0 H TYR A 73 -1.262 3.958 -6.374 1.00 21.24 H new ATOM 0 HA TYR A 73 -0.390 5.723 -4.337 1.00 34.23 H new ATOM 0 HB2 TYR A 73 0.307 3.277 -5.051 1.00 10.04 H new ATOM 0 HB3 TYR A 73 1.447 4.098 -6.098 1.00 10.04 H new ATOM 0 HD1 TYR A 73 0.466 3.582 -2.560 1.00 3.01 H new ATOM 0 HD2 TYR A 73 3.434 5.153 -5.186 1.00 71.42 H new ATOM 0 HE1 TYR A 73 2.012 3.814 -0.669 1.00 2.34 H new ATOM 0 HE2 TYR A 73 4.985 5.378 -3.293 1.00 23.15 H new ATOM 0 HH TYR A 73 5.371 4.863 -1.145 1.00 72.31 H new ATOM 1155 N LYS A 74 0.378 6.555 -7.407 1.00 24.24 N ATOM 1156 CA LYS A 74 0.808 7.685 -8.246 1.00 10.11 C ATOM 1157 C LYS A 74 0.112 8.989 -7.800 1.00 74.32 C ATOM 1158 O LYS A 74 0.649 10.086 -7.952 1.00 63.30 O ATOM 1159 CB LYS A 74 0.474 7.398 -9.722 1.00 73.03 C ATOM 1160 CG LYS A 74 1.037 8.422 -10.715 1.00 42.25 C ATOM 1161 CD LYS A 74 2.485 8.121 -11.106 1.00 75.32 C ATOM 1162 CE LYS A 74 2.597 6.813 -11.883 1.00 3.51 C ATOM 1163 NZ LYS A 74 3.970 6.583 -12.406 1.00 21.43 N ATOM 0 H LYS A 74 -0.052 5.791 -7.928 1.00 24.24 H new ATOM 0 HA LYS A 74 1.885 7.808 -8.135 1.00 10.11 H new ATOM 0 HB2 LYS A 74 0.857 6.411 -9.982 1.00 73.03 H new ATOM 0 HB3 LYS A 74 -0.609 7.360 -9.835 1.00 73.03 H new ATOM 0 HG2 LYS A 74 0.417 8.434 -11.611 1.00 42.25 H new ATOM 0 HG3 LYS A 74 0.982 9.418 -10.276 1.00 42.25 H new ATOM 0 HD2 LYS A 74 2.877 8.939 -11.711 1.00 75.32 H new ATOM 0 HD3 LYS A 74 3.101 8.065 -10.208 1.00 75.32 H new ATOM 0 HE2 LYS A 74 2.313 5.983 -11.236 1.00 3.51 H new ATOM 0 HE3 LYS A 74 1.891 6.825 -12.714 1.00 3.51 H new ATOM 0 HZ1 LYS A 74 3.997 5.683 -12.926 1.00 21.43 H new ATOM 0 HZ2 LYS A 74 4.233 7.360 -13.045 1.00 21.43 H new ATOM 0 HZ3 LYS A 74 4.642 6.545 -11.613 1.00 21.43 H new ATOM 1177 N HIS A 75 -1.095 8.851 -7.251 1.00 62.50 N ATOM 1178 CA HIS A 75 -1.854 9.995 -6.729 1.00 70.12 C ATOM 1179 C HIS A 75 -1.590 10.199 -5.227 1.00 64.33 C ATOM 1180 O HIS A 75 -1.742 11.301 -4.704 1.00 10.34 O ATOM 1181 CB HIS A 75 -3.355 9.793 -6.983 1.00 1.22 C ATOM 1182 CG HIS A 75 -3.709 9.682 -8.438 1.00 43.41 C ATOM 1183 ND1 HIS A 75 -3.707 8.617 -9.276 1.00 50.54 N flip ATOM 1184 CD2 HIS A 75 -4.123 10.755 -9.197 1.00 23.44 C flip ATOM 1185 CE1 HIS A 75 -4.114 9.067 -10.507 1.00 24.31 C flip ATOM 1186 NE2 HIS A 75 -4.358 10.357 -10.431 1.00 52.12 N flip ATOM 0 H HIS A 75 -1.573 7.955 -7.155 1.00 62.50 H new ATOM 0 HA HIS A 75 -1.521 10.891 -7.253 1.00 70.12 H new ATOM 0 HB2 HIS A 75 -3.684 8.890 -6.468 1.00 1.22 H new ATOM 0 HB3 HIS A 75 -3.904 10.627 -6.547 1.00 1.22 H new ATOM 0 HD1 HIS A 75 -3.451 7.659 -9.036 1.00 50.54 H new ATOM 0 HD2 HIS A 75 -4.237 11.766 -8.836 1.00 23.44 H new ATOM 0 HE1 HIS A 75 -4.217 8.460 -11.394 1.00 24.31 H new ATOM 1195 N PHE A 76 -1.195 9.128 -4.538 1.00 55.21 N ATOM 1196 CA PHE A 76 -0.881 9.195 -3.104 1.00 14.21 C ATOM 1197 C PHE A 76 0.413 9.988 -2.839 1.00 15.24 C ATOM 1198 O PHE A 76 0.450 10.862 -1.965 1.00 5.04 O ATOM 1199 CB PHE A 76 -0.767 7.777 -2.524 1.00 54.23 C ATOM 1200 CG PHE A 76 -0.476 7.739 -1.042 1.00 2.14 C ATOM 1201 CD1 PHE A 76 -1.445 8.116 -0.120 1.00 72.14 C ATOM 1202 CD2 PHE A 76 0.766 7.330 -0.569 1.00 1.43 C ATOM 1203 CE1 PHE A 76 -1.183 8.082 1.238 1.00 62.22 C ATOM 1204 CE2 PHE A 76 1.032 7.294 0.787 1.00 64.21 C ATOM 1205 CZ PHE A 76 0.056 7.672 1.691 1.00 60.44 C ATOM 0 H PHE A 76 -1.084 8.201 -4.948 1.00 55.21 H new ATOM 0 HA PHE A 76 -1.696 9.723 -2.608 1.00 14.21 H new ATOM 0 HB2 PHE A 76 -1.697 7.242 -2.715 1.00 54.23 H new ATOM 0 HB3 PHE A 76 0.022 7.242 -3.052 1.00 54.23 H new ATOM 0 HD1 PHE A 76 -2.415 8.440 -0.468 1.00 72.14 H new ATOM 0 HD2 PHE A 76 1.533 7.037 -1.270 1.00 1.43 H new ATOM 0 HE1 PHE A 76 -1.946 8.376 1.943 1.00 62.22 H new ATOM 0 HE2 PHE A 76 2.000 6.971 1.140 1.00 64.21 H new ATOM 0 HZ PHE A 76 0.262 7.647 2.751 1.00 60.44 H new ATOM 1215 N LYS A 77 1.476 9.674 -3.581 1.00 1.13 N ATOM 1216 CA LYS A 77 2.762 10.373 -3.430 1.00 1.20 C ATOM 1217 C LYS A 77 3.113 11.235 -4.656 1.00 2.01 C ATOM 1218 O LYS A 77 3.507 12.394 -4.504 1.00 63.13 O ATOM 1219 CB LYS A 77 3.902 9.377 -3.158 1.00 72.10 C ATOM 1220 CG LYS A 77 3.915 8.815 -1.737 1.00 53.12 C ATOM 1221 CD LYS A 77 5.174 7.987 -1.468 1.00 54.04 C ATOM 1222 CE LYS A 77 5.255 7.515 -0.019 1.00 21.41 C ATOM 1223 NZ LYS A 77 5.325 8.647 0.943 1.00 22.30 N ATOM 0 H LYS A 77 1.476 8.943 -4.292 1.00 1.13 H new ATOM 0 HA LYS A 77 2.649 11.039 -2.575 1.00 1.20 H new ATOM 0 HB2 LYS A 77 3.823 8.550 -3.863 1.00 72.10 H new ATOM 0 HB3 LYS A 77 4.855 9.870 -3.351 1.00 72.10 H new ATOM 0 HG2 LYS A 77 3.858 9.635 -1.021 1.00 53.12 H new ATOM 0 HG3 LYS A 77 3.032 8.195 -1.583 1.00 53.12 H new ATOM 0 HD2 LYS A 77 5.187 7.122 -2.131 1.00 54.04 H new ATOM 0 HD3 LYS A 77 6.056 8.583 -1.704 1.00 54.04 H new ATOM 0 HE2 LYS A 77 4.384 6.901 0.209 1.00 21.41 H new ATOM 0 HE3 LYS A 77 6.133 6.881 0.105 1.00 21.41 H new ATOM 0 HZ1 LYS A 77 5.598 8.289 1.881 1.00 22.30 H new ATOM 0 HZ2 LYS A 77 6.031 9.337 0.617 1.00 22.30 H new ATOM 0 HZ3 LYS A 77 4.395 9.108 1.005 1.00 22.30 H new ATOM 1237 N LYS A 78 2.976 10.662 -5.859 1.00 42.35 N ATOM 1238 CA LYS A 78 3.377 11.331 -7.115 1.00 35.11 C ATOM 1239 C LYS A 78 4.903 11.550 -7.174 1.00 54.23 C ATOM 1240 O LYS A 78 5.607 10.852 -7.907 1.00 40.22 O ATOM 1241 CB LYS A 78 2.633 12.670 -7.293 1.00 61.04 C ATOM 1242 CG LYS A 78 2.993 13.421 -8.576 1.00 12.31 C ATOM 1243 CD LYS A 78 2.606 12.636 -9.830 1.00 64.55 C ATOM 1244 CE LYS A 78 2.971 13.391 -11.104 1.00 20.02 C ATOM 1245 NZ LYS A 78 2.313 14.724 -11.172 1.00 5.03 N ATOM 0 H LYS A 78 2.588 9.729 -5.995 1.00 42.35 H new ATOM 0 HA LYS A 78 3.099 10.672 -7.937 1.00 35.11 H new ATOM 0 HB2 LYS A 78 1.560 12.480 -7.285 1.00 61.04 H new ATOM 0 HB3 LYS A 78 2.850 13.310 -6.438 1.00 61.04 H new ATOM 0 HG2 LYS A 78 2.489 14.387 -8.584 1.00 12.31 H new ATOM 0 HG3 LYS A 78 4.064 13.621 -8.590 1.00 12.31 H new ATOM 0 HD2 LYS A 78 3.109 11.669 -9.823 1.00 64.55 H new ATOM 0 HD3 LYS A 78 1.534 12.438 -9.819 1.00 64.55 H new ATOM 0 HE2 LYS A 78 4.052 13.518 -11.152 1.00 20.02 H new ATOM 0 HE3 LYS A 78 2.680 12.799 -11.972 1.00 20.02 H new ATOM 0 HZ1 LYS A 78 2.405 15.108 -12.134 1.00 5.03 H new ATOM 0 HZ2 LYS A 78 1.306 14.626 -10.933 1.00 5.03 H new ATOM 0 HZ3 LYS A 78 2.768 15.371 -10.497 1.00 5.03 H new