USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 729 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 91 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.4) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 GLN : amide:sc= 0 K(o=-0.72,f=0.21) USER MOD Set 2.2: A 14 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-0.86) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 39:sc= 0.084 USER MOD Single : A 22 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.38) USER MOD Single : A 23 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.002) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= -0.0151 (180deg=-0.316) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 0:sc= -1.57 USER MOD Single : A 57 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-7.2!) USER MOD Single : A 59 GLN : amide:sc= -3.73 K(o=-3.7,f=-12!) USER MOD Single : A 63 ASN : amide:sc= -2.66 K(o=-2.7,f=-8.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.26!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.0012 (180deg=-0.00417) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.712 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.03 K(o=-2,f=-0.89!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 75:sc= 0.263 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00712 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.64) USER MOD Single : A 105 MET CE :methyl -179:sc= -3.2 (180deg=-3.25) USER MOD Single : A 107 CYS SG : rot 32:sc= 0.00409 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.290 -4.686 1.402 1.00 41.02 N ATOM 148 CA GLN A 12 15.323 -3.571 2.340 1.00 11.44 C ATOM 149 C GLN A 12 13.971 -2.867 2.398 1.00 72.33 C ATOM 150 O GLN A 12 13.162 -2.948 1.473 1.00 31.30 O ATOM 151 CB GLN A 12 16.413 -2.574 1.943 1.00 41.01 C ATOM 152 CG GLN A 12 16.485 -2.316 0.446 1.00 24.15 C ATOM 153 CD GLN A 12 17.152 -0.996 0.113 1.00 11.12 C ATOM 154 OE1 GLN A 12 16.485 -0.022 -0.237 1.00 42.15 O ATOM 155 NE2 GLN A 12 18.475 -0.956 0.221 1.00 32.44 N ATOM 0 HA GLN A 12 15.548 -3.969 3.329 1.00 11.44 H new ATOM 0 HB2 GLN A 12 16.235 -1.630 2.458 1.00 41.01 H new ATOM 0 HB3 GLN A 12 17.378 -2.947 2.286 1.00 41.01 H new ATOM 0 HG2 GLN A 12 17.034 -3.127 -0.033 1.00 24.15 H new ATOM 0 HG3 GLN A 12 15.477 -2.325 0.031 1.00 24.15 H new ATOM 0 HE21 GLN A 12 18.988 -1.787 0.515 1.00 32.44 H new ATOM 0 HE22 GLN A 12 18.978 -0.094 0.010 1.00 32.44 H new ATOM 164 N PRO A 13 13.718 -2.160 3.509 1.00 73.20 N ATOM 165 CA PRO A 13 12.464 -1.429 3.713 1.00 11.34 C ATOM 166 C PRO A 13 12.344 -0.216 2.797 1.00 62.13 C ATOM 167 O PRO A 13 13.344 0.412 2.447 1.00 23.05 O ATOM 168 CB PRO A 13 12.545 -0.987 5.177 1.00 44.03 C ATOM 169 CG PRO A 13 14.004 -0.932 5.475 1.00 30.42 C ATOM 170 CD PRO A 13 14.636 -2.020 4.651 1.00 2.13 C ATOM 0 HA PRO A 13 11.593 -2.044 3.486 1.00 11.34 H new ATOM 0 HB2 PRO A 13 12.074 -0.015 5.324 1.00 44.03 H new ATOM 0 HB3 PRO A 13 12.033 -1.692 5.832 1.00 44.03 H new ATOM 0 HG2 PRO A 13 14.418 0.043 5.218 1.00 30.42 H new ATOM 0 HG3 PRO A 13 14.192 -1.088 6.537 1.00 30.42 H new ATOM 0 HD2 PRO A 13 15.641 -1.747 4.328 1.00 2.13 H new ATOM 0 HD3 PRO A 13 14.723 -2.950 5.213 1.00 2.13 H new ATOM 178 N HIS A 14 11.115 0.109 2.410 1.00 35.22 N ATOM 179 CA HIS A 14 10.864 1.248 1.534 1.00 4.03 C ATOM 180 C HIS A 14 9.661 2.051 2.018 1.00 12.30 C ATOM 181 O HIS A 14 9.017 1.693 3.005 1.00 63.34 O ATOM 182 CB HIS A 14 10.632 0.774 0.099 1.00 24.24 C ATOM 183 CG HIS A 14 11.834 0.130 -0.520 1.00 62.42 C ATOM 184 ND1 HIS A 14 12.064 -1.229 -0.481 1.00 20.54 N ATOM 185 CD2 HIS A 14 12.875 0.666 -1.199 1.00 41.10 C ATOM 186 CE1 HIS A 14 13.195 -1.501 -1.107 1.00 2.14 C ATOM 187 NE2 HIS A 14 13.707 -0.368 -1.552 1.00 50.34 N ATOM 0 H HIS A 14 10.277 -0.400 2.689 1.00 35.22 H new ATOM 0 HA HIS A 14 11.742 1.893 1.558 1.00 4.03 H new ATOM 0 HB2 HIS A 14 9.804 0.065 0.089 1.00 24.24 H new ATOM 0 HB3 HIS A 14 10.331 1.625 -0.512 1.00 24.24 H new ATOM 0 HD2 HIS A 14 13.024 1.712 -1.422 1.00 41.10 H new ATOM 0 HE1 HIS A 14 13.627 -2.483 -1.233 1.00 2.14 H new ATOM 0 HE2 HIS A 14 14.579 -0.276 -2.073 1.00 50.34 H new ATOM 195 N LYS A 15 9.362 3.140 1.318 1.00 42.24 N ATOM 196 CA LYS A 15 8.236 3.995 1.674 1.00 20.12 C ATOM 197 C LYS A 15 7.045 3.736 0.757 1.00 12.22 C ATOM 198 O LYS A 15 6.086 4.508 0.737 1.00 32.13 O ATOM 199 CB LYS A 15 8.643 5.468 1.596 1.00 13.22 C ATOM 200 CG LYS A 15 9.331 5.841 0.295 1.00 45.01 C ATOM 201 CD LYS A 15 10.774 6.259 0.527 1.00 32.21 C ATOM 202 CE LYS A 15 10.925 7.772 0.514 1.00 52.33 C ATOM 203 NZ LYS A 15 11.893 8.242 1.543 1.00 40.32 N ATOM 0 H LYS A 15 9.885 3.452 0.500 1.00 42.24 H new ATOM 0 HA LYS A 15 7.942 3.759 2.697 1.00 20.12 H new ATOM 0 HB2 LYS A 15 7.755 6.088 1.719 1.00 13.22 H new ATOM 0 HB3 LYS A 15 9.309 5.697 2.428 1.00 13.22 H new ATOM 0 HG2 LYS A 15 9.302 4.993 -0.389 1.00 45.01 H new ATOM 0 HG3 LYS A 15 8.788 6.655 -0.184 1.00 45.01 H new ATOM 0 HD2 LYS A 15 11.118 5.866 1.484 1.00 32.21 H new ATOM 0 HD3 LYS A 15 11.409 5.822 -0.244 1.00 32.21 H new ATOM 0 HE2 LYS A 15 11.258 8.095 -0.472 1.00 52.33 H new ATOM 0 HE3 LYS A 15 9.954 8.235 0.690 1.00 52.33 H new ATOM 0 HZ1 LYS A 15 11.968 9.279 1.502 1.00 40.32 H new ATOM 0 HZ2 LYS A 15 11.563 7.956 2.487 1.00 40.32 H new ATOM 0 HZ3 LYS A 15 12.826 7.820 1.360 1.00 40.32 H new ATOM 217 N ARG A 16 7.112 2.646 0.001 1.00 61.42 N ATOM 218 CA ARG A 16 6.039 2.286 -0.918 1.00 32.42 C ATOM 219 C ARG A 16 5.698 0.803 -0.802 1.00 25.41 C ATOM 220 O ARG A 16 6.574 -0.056 -0.914 1.00 11.44 O ATOM 221 CB ARG A 16 6.438 2.617 -2.357 1.00 14.30 C ATOM 222 CG ARG A 16 7.135 3.960 -2.502 1.00 11.14 C ATOM 223 CD ARG A 16 6.673 4.696 -3.750 1.00 0.15 C ATOM 224 NE ARG A 16 7.365 5.971 -3.921 1.00 15.05 N ATOM 225 CZ ARG A 16 7.284 6.709 -5.022 1.00 71.22 C ATOM 226 NH1 ARG A 16 6.545 6.301 -6.045 1.00 24.41 N ATOM 227 NH2 ARG A 16 7.943 7.858 -5.102 1.00 74.13 N ATOM 0 H ARG A 16 7.898 1.996 0.006 1.00 61.42 H new ATOM 0 HA ARG A 16 5.156 2.866 -0.650 1.00 32.42 H new ATOM 0 HB2 ARG A 16 7.096 1.833 -2.732 1.00 14.30 H new ATOM 0 HB3 ARG A 16 5.546 2.611 -2.983 1.00 14.30 H new ATOM 0 HG2 ARG A 16 6.935 4.572 -1.622 1.00 11.14 H new ATOM 0 HG3 ARG A 16 8.214 3.808 -2.546 1.00 11.14 H new ATOM 0 HD2 ARG A 16 6.846 4.070 -4.625 1.00 0.15 H new ATOM 0 HD3 ARG A 16 5.599 4.872 -3.691 1.00 0.15 H new ATOM 0 HE ARG A 16 7.942 6.313 -3.153 1.00 15.05 H new ATOM 0 HH11 ARG A 16 6.037 5.418 -5.987 1.00 24.41 H new ATOM 0 HH12 ARG A 16 6.485 6.870 -6.889 1.00 24.41 H new ATOM 0 HH21 ARG A 16 8.512 8.175 -4.317 1.00 74.13 H new ATOM 0 HH22 ARG A 16 7.880 8.424 -5.948 1.00 74.13 H new ATOM 241 N TRP A 17 4.423 0.510 -0.577 1.00 32.20 N ATOM 242 CA TRP A 17 3.967 -0.869 -0.445 1.00 62.53 C ATOM 243 C TRP A 17 2.517 -1.009 -0.894 1.00 51.14 C ATOM 244 O TRP A 17 1.669 -0.184 -0.553 1.00 61.01 O ATOM 245 CB TRP A 17 4.113 -1.340 1.003 1.00 63.44 C ATOM 246 CG TRP A 17 5.533 -1.609 1.399 1.00 24.15 C ATOM 247 CD1 TRP A 17 6.386 -0.747 2.027 1.00 1.42 C ATOM 248 CD2 TRP A 17 6.266 -2.822 1.193 1.00 10.23 C ATOM 249 NE1 TRP A 17 7.605 -1.350 2.224 1.00 72.12 N ATOM 250 CE2 TRP A 17 7.557 -2.624 1.722 1.00 54.20 C ATOM 251 CE3 TRP A 17 5.957 -4.056 0.616 1.00 71.22 C ATOM 252 CZ2 TRP A 17 8.535 -3.614 1.688 1.00 74.13 C ATOM 253 CZ3 TRP A 17 6.929 -5.038 0.582 1.00 12.13 C ATOM 254 CH2 TRP A 17 8.205 -4.813 1.116 1.00 13.12 C ATOM 0 H TRP A 17 3.686 1.209 -0.482 1.00 32.20 H new ATOM 0 HA TRP A 17 4.588 -1.493 -1.087 1.00 62.53 H new ATOM 0 HB2 TRP A 17 3.695 -0.584 1.668 1.00 63.44 H new ATOM 0 HB3 TRP A 17 3.526 -2.248 1.143 1.00 63.44 H new ATOM 0 HD1 TRP A 17 6.139 0.261 2.325 1.00 1.42 H new ATOM 0 HE1 TRP A 17 8.414 -0.919 2.671 1.00 72.12 H new ATOM 0 HE3 TRP A 17 4.976 -4.240 0.204 1.00 71.22 H new ATOM 0 HZ2 TRP A 17 9.519 -3.442 2.098 1.00 74.13 H new ATOM 0 HZ3 TRP A 17 6.701 -5.995 0.136 1.00 12.13 H new ATOM 0 HH2 TRP A 17 8.942 -5.601 1.075 1.00 13.12 H new ATOM 265 N VAL A 18 2.237 -2.058 -1.662 1.00 5.15 N ATOM 266 CA VAL A 18 0.889 -2.306 -2.156 1.00 55.32 C ATOM 267 C VAL A 18 0.273 -3.528 -1.484 1.00 53.14 C ATOM 268 O VAL A 18 0.980 -4.359 -0.914 1.00 41.40 O ATOM 269 CB VAL A 18 0.880 -2.513 -3.682 1.00 74.33 C ATOM 270 CG1 VAL A 18 1.477 -1.306 -4.389 1.00 65.31 C ATOM 271 CG2 VAL A 18 1.631 -3.784 -4.051 1.00 52.42 C ATOM 0 H VAL A 18 2.927 -2.750 -1.955 1.00 5.15 H new ATOM 0 HA VAL A 18 0.296 -1.424 -1.913 1.00 55.32 H new ATOM 0 HB VAL A 18 -0.154 -2.621 -4.011 1.00 74.33 H new ATOM 0 HG11 VAL A 18 1.462 -1.471 -5.466 1.00 65.31 H new ATOM 0 HG12 VAL A 18 0.892 -0.418 -4.150 1.00 65.31 H new ATOM 0 HG13 VAL A 18 2.506 -1.163 -4.058 1.00 65.31 H new ATOM 0 HG21 VAL A 18 1.615 -3.915 -5.133 1.00 52.42 H new ATOM 0 HG22 VAL A 18 2.664 -3.709 -3.710 1.00 52.42 H new ATOM 0 HG23 VAL A 18 1.153 -4.640 -3.575 1.00 52.42 H new ATOM 281 N PHE A 19 -1.050 -3.632 -1.556 1.00 52.02 N ATOM 282 CA PHE A 19 -1.763 -4.753 -0.954 1.00 64.15 C ATOM 283 C PHE A 19 -2.909 -5.213 -1.850 1.00 51.23 C ATOM 284 O PHE A 19 -3.547 -4.405 -2.527 1.00 65.21 O ATOM 285 CB PHE A 19 -2.302 -4.362 0.423 1.00 41.11 C ATOM 286 CG PHE A 19 -3.306 -3.246 0.379 1.00 53.04 C ATOM 287 CD1 PHE A 19 -2.897 -1.934 0.201 1.00 62.44 C ATOM 288 CD2 PHE A 19 -4.660 -3.509 0.515 1.00 2.45 C ATOM 289 CE1 PHE A 19 -3.818 -0.905 0.159 1.00 74.10 C ATOM 290 CE2 PHE A 19 -5.586 -2.484 0.474 1.00 0.43 C ATOM 291 CZ PHE A 19 -5.165 -1.180 0.297 1.00 23.21 C ATOM 0 H PHE A 19 -1.650 -2.954 -2.025 1.00 52.02 H new ATOM 0 HA PHE A 19 -1.061 -5.579 -0.840 1.00 64.15 H new ATOM 0 HB2 PHE A 19 -2.762 -5.235 0.886 1.00 41.11 H new ATOM 0 HB3 PHE A 19 -1.469 -4.065 1.060 1.00 41.11 H new ATOM 0 HD1 PHE A 19 -1.845 -1.713 0.094 1.00 62.44 H new ATOM 0 HD2 PHE A 19 -4.995 -4.526 0.655 1.00 2.45 H new ATOM 0 HE1 PHE A 19 -3.486 0.113 0.018 1.00 74.10 H new ATOM 0 HE2 PHE A 19 -6.638 -2.702 0.580 1.00 0.43 H new ATOM 0 HZ PHE A 19 -5.887 -0.378 0.267 1.00 23.21 H new ATOM 301 N THR A 20 -3.166 -6.517 -1.850 1.00 70.30 N ATOM 302 CA THR A 20 -4.234 -7.086 -2.663 1.00 25.10 C ATOM 303 C THR A 20 -4.847 -8.308 -1.988 1.00 52.42 C ATOM 304 O THR A 20 -4.137 -9.231 -1.589 1.00 20.40 O ATOM 305 CB THR A 20 -3.723 -7.488 -4.060 1.00 1.33 C ATOM 306 OG1 THR A 20 -2.578 -8.339 -3.937 1.00 1.34 O ATOM 307 CG2 THR A 20 -3.361 -6.257 -4.878 1.00 30.31 C ATOM 0 H THR A 20 -2.649 -7.199 -1.296 1.00 70.30 H new ATOM 0 HA THR A 20 -4.995 -6.313 -2.771 1.00 25.10 H new ATOM 0 HB THR A 20 -4.520 -8.025 -4.574 1.00 1.33 H new ATOM 0 HG1 THR A 20 -2.708 -8.956 -3.187 1.00 1.34 H new ATOM 0 HG21 THR A 20 -3.003 -6.565 -5.860 1.00 30.31 H new ATOM 0 HG22 THR A 20 -4.242 -5.626 -4.995 1.00 30.31 H new ATOM 0 HG23 THR A 20 -2.579 -5.697 -4.366 1.00 30.31 H new ATOM 315 N LEU A 21 -6.170 -8.307 -1.864 1.00 43.11 N ATOM 316 CA LEU A 21 -6.880 -9.417 -1.238 1.00 1.43 C ATOM 317 C LEU A 21 -8.177 -9.722 -1.980 1.00 40.52 C ATOM 318 O LEU A 21 -8.984 -8.828 -2.232 1.00 33.11 O ATOM 319 CB LEU A 21 -7.181 -9.093 0.227 1.00 72.42 C ATOM 320 CG LEU A 21 -7.898 -10.186 1.022 1.00 42.45 C ATOM 321 CD1 LEU A 21 -6.906 -10.966 1.870 1.00 31.21 C ATOM 322 CD2 LEU A 21 -8.989 -9.582 1.893 1.00 12.23 C ATOM 0 H LEU A 21 -6.772 -7.550 -2.188 1.00 43.11 H new ATOM 0 HA LEU A 21 -6.241 -10.298 -1.286 1.00 1.43 H new ATOM 0 HB2 LEU A 21 -6.241 -8.864 0.728 1.00 72.42 H new ATOM 0 HB3 LEU A 21 -7.789 -8.189 0.261 1.00 72.42 H new ATOM 0 HG LEU A 21 -8.364 -10.876 0.318 1.00 42.45 H new ATOM 0 HD11 LEU A 21 -7.434 -11.739 2.429 1.00 31.21 H new ATOM 0 HD12 LEU A 21 -6.161 -11.430 1.224 1.00 31.21 H new ATOM 0 HD13 LEU A 21 -6.411 -10.289 2.566 1.00 31.21 H new ATOM 0 HD21 LEU A 21 -9.489 -10.374 2.451 1.00 12.23 H new ATOM 0 HD22 LEU A 21 -8.546 -8.870 2.590 1.00 12.23 H new ATOM 0 HD23 LEU A 21 -9.715 -9.069 1.263 1.00 12.23 H new ATOM 334 N ASN A 22 -8.371 -10.990 -2.326 1.00 65.12 N ATOM 335 CA ASN A 22 -9.571 -11.413 -3.039 1.00 23.55 C ATOM 336 C ASN A 22 -10.744 -11.578 -2.077 1.00 51.24 C ATOM 337 O ASN A 22 -10.598 -12.142 -0.994 1.00 42.20 O ATOM 338 CB ASN A 22 -9.314 -12.729 -3.777 1.00 5.23 C ATOM 339 CG ASN A 22 -8.933 -13.855 -2.835 1.00 72.33 C ATOM 340 OD1 ASN A 22 -9.798 -14.525 -2.270 1.00 64.42 O ATOM 341 ND2 ASN A 22 -7.634 -14.069 -2.663 1.00 1.43 N ATOM 0 H ASN A 22 -7.713 -11.743 -2.124 1.00 65.12 H new ATOM 0 HA ASN A 22 -9.824 -10.640 -3.765 1.00 23.55 H new ATOM 0 HB2 ASN A 22 -10.208 -13.011 -4.333 1.00 5.23 H new ATOM 0 HB3 ASN A 22 -8.517 -12.584 -4.506 1.00 5.23 H new ATOM 0 HD21 ASN A 22 -7.318 -14.814 -2.042 1.00 1.43 H new ATOM 0 HD22 ASN A 22 -6.952 -13.489 -3.152 1.00 1.43 H new ATOM 348 N ASN A 23 -11.908 -11.081 -2.483 1.00 73.12 N ATOM 349 CA ASN A 23 -13.107 -11.173 -1.658 1.00 55.34 C ATOM 350 C ASN A 23 -12.843 -10.642 -0.253 1.00 24.34 C ATOM 351 O ASN A 23 -12.834 -11.387 0.728 1.00 73.34 O ATOM 352 CB ASN A 23 -13.592 -12.622 -1.586 1.00 33.12 C ATOM 353 CG ASN A 23 -15.059 -12.723 -1.214 1.00 70.30 C ATOM 354 OD1 ASN A 23 -15.417 -13.361 -0.224 1.00 13.23 O ATOM 355 ND2 ASN A 23 -15.916 -12.093 -2.009 1.00 44.04 N ATOM 0 H ASN A 23 -12.046 -10.611 -3.378 1.00 73.12 H new ATOM 0 HA ASN A 23 -13.882 -10.560 -2.118 1.00 55.34 H new ATOM 0 HB2 ASN A 23 -13.430 -13.105 -2.550 1.00 33.12 H new ATOM 0 HB3 ASN A 23 -12.996 -13.166 -0.853 1.00 33.12 H new ATOM 0 HD21 ASN A 23 -16.916 -12.126 -1.809 1.00 44.04 H new ATOM 0 HD22 ASN A 23 -15.575 -11.576 -2.819 1.00 44.04 H new ATOM 362 N PRO A 24 -12.621 -9.323 -0.150 1.00 35.42 N ATOM 363 CA PRO A 24 -12.353 -8.663 1.131 1.00 35.23 C ATOM 364 C PRO A 24 -13.583 -8.627 2.033 1.00 43.41 C ATOM 365 O PRO A 24 -14.716 -8.591 1.553 1.00 45.42 O ATOM 366 CB PRO A 24 -11.948 -7.245 0.722 1.00 74.04 C ATOM 367 CG PRO A 24 -12.601 -7.032 -0.601 1.00 10.35 C ATOM 368 CD PRO A 24 -12.617 -8.375 -1.276 1.00 45.12 C ATOM 0 HA PRO A 24 -11.592 -9.188 1.709 1.00 35.23 H new ATOM 0 HB2 PRO A 24 -12.285 -6.510 1.453 1.00 74.04 H new ATOM 0 HB3 PRO A 24 -10.865 -7.148 0.649 1.00 74.04 H new ATOM 0 HG2 PRO A 24 -13.612 -6.645 -0.479 1.00 10.35 H new ATOM 0 HG3 PRO A 24 -12.050 -6.303 -1.195 1.00 10.35 H new ATOM 0 HD2 PRO A 24 -13.497 -8.497 -1.907 1.00 45.12 H new ATOM 0 HD3 PRO A 24 -11.745 -8.514 -1.915 1.00 45.12 H new ATOM 376 N SER A 25 -13.351 -8.636 3.342 1.00 53.52 N ATOM 377 CA SER A 25 -14.441 -8.607 4.311 1.00 43.32 C ATOM 378 C SER A 25 -14.772 -7.173 4.714 1.00 43.15 C ATOM 379 O SER A 25 -13.950 -6.270 4.563 1.00 43.31 O ATOM 380 CB SER A 25 -14.071 -9.424 5.550 1.00 21.10 C ATOM 381 OG SER A 25 -13.538 -10.686 5.188 1.00 33.41 O ATOM 0 H SER A 25 -12.419 -8.663 3.756 1.00 53.52 H new ATOM 0 HA SER A 25 -15.322 -9.047 3.843 1.00 43.32 H new ATOM 0 HB2 SER A 25 -13.342 -8.876 6.147 1.00 21.10 H new ATOM 0 HB3 SER A 25 -14.954 -9.564 6.174 1.00 21.10 H new ATOM 0 HG SER A 25 -13.308 -11.188 5.997 1.00 33.41 H new ATOM 387 N GLU A 26 -15.982 -6.973 5.226 1.00 22.23 N ATOM 388 CA GLU A 26 -16.422 -5.649 5.650 1.00 72.30 C ATOM 389 C GLU A 26 -15.527 -5.107 6.760 1.00 24.54 C ATOM 390 O GLU A 26 -15.344 -3.897 6.890 1.00 10.11 O ATOM 391 CB GLU A 26 -17.874 -5.700 6.130 1.00 53.21 C ATOM 392 CG GLU A 26 -18.068 -6.512 7.400 1.00 43.24 C ATOM 393 CD GLU A 26 -18.333 -5.642 8.613 1.00 22.44 C ATOM 394 OE1 GLU A 26 -17.365 -5.063 9.150 1.00 31.10 O ATOM 395 OE2 GLU A 26 -19.507 -5.541 9.027 1.00 63.44 O ATOM 0 H GLU A 26 -16.675 -7.710 5.357 1.00 22.23 H new ATOM 0 HA GLU A 26 -16.353 -4.980 4.793 1.00 72.30 H new ATOM 0 HB2 GLU A 26 -18.227 -4.683 6.302 1.00 53.21 H new ATOM 0 HB3 GLU A 26 -18.494 -6.123 5.340 1.00 53.21 H new ATOM 0 HG2 GLU A 26 -18.901 -7.201 7.263 1.00 43.24 H new ATOM 0 HG3 GLU A 26 -17.180 -7.118 7.579 1.00 43.24 H new ATOM 402 N ASP A 27 -14.971 -6.012 7.559 1.00 74.42 N ATOM 403 CA ASP A 27 -14.094 -5.627 8.658 1.00 13.32 C ATOM 404 C ASP A 27 -12.700 -5.281 8.145 1.00 22.33 C ATOM 405 O ASP A 27 -12.141 -4.241 8.492 1.00 73.11 O ATOM 406 CB ASP A 27 -14.008 -6.753 9.689 1.00 64.30 C ATOM 407 CG ASP A 27 -14.072 -6.240 11.114 1.00 24.31 C ATOM 408 OD1 ASP A 27 -15.073 -5.580 11.463 1.00 2.10 O ATOM 409 OD2 ASP A 27 -13.121 -6.500 11.881 1.00 40.21 O ATOM 0 H ASP A 27 -15.113 -7.018 7.466 1.00 74.42 H new ATOM 0 HA ASP A 27 -14.516 -4.742 9.134 1.00 13.32 H new ATOM 0 HB2 ASP A 27 -14.823 -7.457 9.523 1.00 64.30 H new ATOM 0 HB3 ASP A 27 -13.078 -7.303 9.545 1.00 64.30 H new ATOM 414 N GLU A 28 -12.144 -6.162 7.319 1.00 4.30 N ATOM 415 CA GLU A 28 -10.813 -5.950 6.761 1.00 54.24 C ATOM 416 C GLU A 28 -10.794 -4.723 5.853 1.00 65.42 C ATOM 417 O GLU A 28 -9.910 -3.873 5.960 1.00 65.24 O ATOM 418 CB GLU A 28 -10.362 -7.185 5.978 1.00 41.41 C ATOM 419 CG GLU A 28 -8.999 -7.708 6.399 1.00 11.34 C ATOM 420 CD GLU A 28 -8.884 -9.213 6.261 1.00 22.41 C ATOM 421 OE1 GLU A 28 -9.645 -9.796 5.461 1.00 63.21 O ATOM 422 OE2 GLU A 28 -8.032 -9.809 6.954 1.00 44.55 O ATOM 0 H GLU A 28 -12.594 -7.028 7.022 1.00 4.30 H new ATOM 0 HA GLU A 28 -10.122 -5.780 7.587 1.00 54.24 H new ATOM 0 HB2 GLU A 28 -11.101 -7.976 6.106 1.00 41.41 H new ATOM 0 HB3 GLU A 28 -10.336 -6.942 4.916 1.00 41.41 H new ATOM 0 HG2 GLU A 28 -8.228 -7.231 5.793 1.00 11.34 H new ATOM 0 HG3 GLU A 28 -8.810 -7.426 7.435 1.00 11.34 H new ATOM 429 N ARG A 29 -11.774 -4.640 4.959 1.00 0.25 N ATOM 430 CA ARG A 29 -11.869 -3.519 4.032 1.00 63.23 C ATOM 431 C ARG A 29 -12.009 -2.200 4.785 1.00 1.22 C ATOM 432 O ARG A 29 -11.390 -1.198 4.426 1.00 63.01 O ATOM 433 CB ARG A 29 -13.058 -3.709 3.089 1.00 73.31 C ATOM 434 CG ARG A 29 -13.361 -2.488 2.237 1.00 54.32 C ATOM 435 CD ARG A 29 -14.714 -1.887 2.586 1.00 51.14 C ATOM 436 NE ARG A 29 -15.759 -2.317 1.660 1.00 1.50 N ATOM 437 CZ ARG A 29 -17.020 -1.907 1.735 1.00 75.35 C ATOM 438 NH1 ARG A 29 -17.392 -1.062 2.686 1.00 23.45 N ATOM 439 NH2 ARG A 29 -17.914 -2.343 0.855 1.00 24.13 N ATOM 0 H ARG A 29 -12.513 -5.336 4.857 1.00 0.25 H new ATOM 0 HA ARG A 29 -10.951 -3.486 3.446 1.00 63.23 H new ATOM 0 HB2 ARG A 29 -12.860 -4.558 2.435 1.00 73.31 H new ATOM 0 HB3 ARG A 29 -13.941 -3.959 3.677 1.00 73.31 H new ATOM 0 HG2 ARG A 29 -12.581 -1.740 2.381 1.00 54.32 H new ATOM 0 HG3 ARG A 29 -13.346 -2.766 1.183 1.00 54.32 H new ATOM 0 HD2 ARG A 29 -14.988 -2.175 3.601 1.00 51.14 H new ATOM 0 HD3 ARG A 29 -14.642 -0.799 2.572 1.00 51.14 H new ATOM 0 HE ARG A 29 -15.507 -2.967 0.916 1.00 1.50 H new ATOM 0 HH11 ARG A 29 -16.709 -0.724 3.364 1.00 23.45 H new ATOM 0 HH12 ARG A 29 -18.361 -0.750 2.740 1.00 23.45 H new ATOM 0 HH21 ARG A 29 -17.632 -2.993 0.121 1.00 24.13 H new ATOM 0 HH22 ARG A 29 -18.882 -2.028 0.913 1.00 24.13 H new ATOM 453 N LYS A 30 -12.827 -2.206 5.832 1.00 72.31 N ATOM 454 CA LYS A 30 -13.049 -1.012 6.638 1.00 53.54 C ATOM 455 C LYS A 30 -11.805 -0.663 7.449 1.00 74.41 C ATOM 456 O LYS A 30 -11.500 0.510 7.664 1.00 30.22 O ATOM 457 CB LYS A 30 -14.241 -1.218 7.575 1.00 53.31 C ATOM 458 CG LYS A 30 -15.587 -1.013 6.901 1.00 32.24 C ATOM 459 CD LYS A 30 -16.734 -1.196 7.881 1.00 54.11 C ATOM 460 CE LYS A 30 -18.083 -1.085 7.187 1.00 52.24 C ATOM 461 NZ LYS A 30 -19.166 -0.707 8.136 1.00 33.01 N ATOM 0 H LYS A 30 -13.348 -3.026 6.142 1.00 72.31 H new ATOM 0 HA LYS A 30 -13.265 -0.184 5.963 1.00 53.54 H new ATOM 0 HB2 LYS A 30 -14.200 -2.227 7.986 1.00 53.31 H new ATOM 0 HB3 LYS A 30 -14.156 -0.528 8.415 1.00 53.31 H new ATOM 0 HG2 LYS A 30 -15.631 -0.013 6.471 1.00 32.24 H new ATOM 0 HG3 LYS A 30 -15.694 -1.719 6.078 1.00 32.24 H new ATOM 0 HD2 LYS A 30 -16.651 -2.170 8.363 1.00 54.11 H new ATOM 0 HD3 LYS A 30 -16.665 -0.445 8.668 1.00 54.11 H new ATOM 0 HE2 LYS A 30 -18.022 -0.342 6.391 1.00 52.24 H new ATOM 0 HE3 LYS A 30 -18.329 -2.037 6.716 1.00 52.24 H new ATOM 0 HZ1 LYS A 30 -20.069 -0.642 7.624 1.00 33.01 H new ATOM 0 HZ2 LYS A 30 -19.242 -1.428 8.881 1.00 33.01 H new ATOM 0 HZ3 LYS A 30 -18.945 0.214 8.566 1.00 33.01 H new ATOM 475 N LYS A 31 -11.090 -1.690 7.896 1.00 43.23 N ATOM 476 CA LYS A 31 -9.877 -1.493 8.681 1.00 61.30 C ATOM 477 C LYS A 31 -8.824 -0.738 7.876 1.00 21.50 C ATOM 478 O LYS A 31 -8.243 0.236 8.356 1.00 72.32 O ATOM 479 CB LYS A 31 -9.316 -2.842 9.137 1.00 63.12 C ATOM 480 CG LYS A 31 -7.931 -2.748 9.753 1.00 2.34 C ATOM 481 CD LYS A 31 -6.887 -3.431 8.886 1.00 4.13 C ATOM 482 CE LYS A 31 -6.461 -4.767 9.475 1.00 21.03 C ATOM 483 NZ LYS A 31 -7.631 -5.630 9.796 1.00 13.01 N ATOM 0 H LYS A 31 -11.330 -2.667 7.728 1.00 43.23 H new ATOM 0 HA LYS A 31 -10.134 -0.898 9.557 1.00 61.30 H new ATOM 0 HB2 LYS A 31 -9.998 -3.283 9.864 1.00 63.12 H new ATOM 0 HB3 LYS A 31 -9.279 -3.518 8.283 1.00 63.12 H new ATOM 0 HG2 LYS A 31 -7.663 -1.700 9.889 1.00 2.34 H new ATOM 0 HG3 LYS A 31 -7.940 -3.206 10.742 1.00 2.34 H new ATOM 0 HD2 LYS A 31 -7.289 -3.585 7.884 1.00 4.13 H new ATOM 0 HD3 LYS A 31 -6.017 -2.783 8.784 1.00 4.13 H new ATOM 0 HE2 LYS A 31 -5.811 -5.284 8.769 1.00 21.03 H new ATOM 0 HE3 LYS A 31 -5.877 -4.596 10.379 1.00 21.03 H new ATOM 0 HZ1 LYS A 31 -7.336 -6.627 9.801 1.00 13.01 H new ATOM 0 HZ2 LYS A 31 -8.004 -5.375 10.733 1.00 13.01 H new ATOM 0 HZ3 LYS A 31 -8.372 -5.492 9.079 1.00 13.01 H new ATOM 497 N ILE A 32 -8.584 -1.193 6.651 1.00 61.31 N ATOM 498 CA ILE A 32 -7.603 -0.559 5.780 1.00 42.35 C ATOM 499 C ILE A 32 -8.000 0.879 5.460 1.00 24.40 C ATOM 500 O ILE A 32 -7.164 1.782 5.476 1.00 4.21 O ATOM 501 CB ILE A 32 -7.433 -1.338 4.462 1.00 51.43 C ATOM 502 CG1 ILE A 32 -6.558 -2.573 4.683 1.00 4.31 C ATOM 503 CG2 ILE A 32 -6.832 -0.441 3.390 1.00 2.41 C ATOM 504 CD1 ILE A 32 -6.459 -3.469 3.468 1.00 3.24 C ATOM 0 H ILE A 32 -9.056 -1.998 6.239 1.00 61.31 H new ATOM 0 HA ILE A 32 -6.655 -0.561 6.318 1.00 42.35 H new ATOM 0 HB ILE A 32 -8.415 -1.668 4.123 1.00 51.43 H new ATOM 0 HG12 ILE A 32 -5.557 -2.252 4.970 1.00 4.31 H new ATOM 0 HG13 ILE A 32 -6.960 -3.148 5.517 1.00 4.31 H new ATOM 0 HG21 ILE A 32 -6.718 -1.006 2.465 1.00 2.41 H new ATOM 0 HG22 ILE A 32 -7.490 0.410 3.217 1.00 2.41 H new ATOM 0 HG23 ILE A 32 -5.856 -0.084 3.719 1.00 2.41 H new ATOM 0 HD11 ILE A 32 -5.823 -4.324 3.697 1.00 3.24 H new ATOM 0 HD12 ILE A 32 -7.454 -3.820 3.193 1.00 3.24 H new ATOM 0 HD13 ILE A 32 -6.029 -2.910 2.637 1.00 3.24 H new ATOM 516 N ARG A 33 -9.281 1.083 5.172 1.00 63.24 N ATOM 517 CA ARG A 33 -9.789 2.411 4.849 1.00 20.40 C ATOM 518 C ARG A 33 -9.852 3.287 6.097 1.00 63.32 C ATOM 519 O ARG A 33 -9.866 4.514 6.005 1.00 1.34 O ATOM 520 CB ARG A 33 -11.177 2.308 4.214 1.00 12.34 C ATOM 521 CG ARG A 33 -11.897 3.643 4.106 1.00 71.50 C ATOM 522 CD ARG A 33 -12.965 3.613 3.024 1.00 60.03 C ATOM 523 NE ARG A 33 -14.173 4.329 3.427 1.00 65.24 N ATOM 524 CZ ARG A 33 -15.288 4.353 2.705 1.00 3.02 C ATOM 525 NH1 ARG A 33 -15.348 3.704 1.551 1.00 54.24 N ATOM 526 NH2 ARG A 33 -16.345 5.027 3.139 1.00 73.02 N ATOM 0 H ARG A 33 -9.986 0.346 5.156 1.00 63.24 H new ATOM 0 HA ARG A 33 -9.104 2.872 4.137 1.00 20.40 H new ATOM 0 HB2 ARG A 33 -11.081 1.875 3.218 1.00 12.34 H new ATOM 0 HB3 ARG A 33 -11.787 1.622 4.802 1.00 12.34 H new ATOM 0 HG2 ARG A 33 -12.355 3.889 5.064 1.00 71.50 H new ATOM 0 HG3 ARG A 33 -11.176 4.430 3.885 1.00 71.50 H new ATOM 0 HD2 ARG A 33 -12.568 4.057 2.111 1.00 60.03 H new ATOM 0 HD3 ARG A 33 -13.217 2.578 2.792 1.00 60.03 H new ATOM 0 HE ARG A 33 -14.160 4.838 4.311 1.00 65.24 H new ATOM 0 HH11 ARG A 33 -14.537 3.184 1.215 1.00 54.24 H new ATOM 0 HH12 ARG A 33 -16.205 3.724 0.999 1.00 54.24 H new ATOM 0 HH21 ARG A 33 -16.302 5.527 4.027 1.00 73.02 H new ATOM 0 HH22 ARG A 33 -17.201 5.045 2.585 1.00 73.02 H new ATOM 540 N ASP A 34 -9.890 2.647 7.261 1.00 45.53 N ATOM 541 CA ASP A 34 -9.950 3.368 8.527 1.00 12.01 C ATOM 542 C ASP A 34 -8.550 3.609 9.083 1.00 51.12 C ATOM 543 O ASP A 34 -8.390 4.066 10.216 1.00 72.44 O ATOM 544 CB ASP A 34 -10.788 2.589 9.542 1.00 30.20 C ATOM 545 CG ASP A 34 -12.276 2.709 9.278 1.00 31.12 C ATOM 546 OD1 ASP A 34 -12.649 3.175 8.181 1.00 61.00 O ATOM 547 OD2 ASP A 34 -13.068 2.336 10.169 1.00 50.04 O ATOM 0 H ASP A 34 -9.880 1.631 7.354 1.00 45.53 H new ATOM 0 HA ASP A 34 -10.420 4.335 8.344 1.00 12.01 H new ATOM 0 HB2 ASP A 34 -10.501 1.538 9.515 1.00 30.20 H new ATOM 0 HB3 ASP A 34 -10.569 2.954 10.546 1.00 30.20 H new ATOM 552 N LEU A 35 -7.539 3.299 8.279 1.00 22.33 N ATOM 553 CA LEU A 35 -6.151 3.480 8.691 1.00 51.53 C ATOM 554 C LEU A 35 -5.811 4.962 8.819 1.00 22.22 C ATOM 555 O LEU A 35 -6.492 5.830 8.274 1.00 15.10 O ATOM 556 CB LEU A 35 -5.209 2.814 7.686 1.00 13.41 C ATOM 557 CG LEU A 35 -4.975 1.316 7.878 1.00 62.44 C ATOM 558 CD1 LEU A 35 -4.176 0.747 6.715 1.00 52.43 C ATOM 559 CD2 LEU A 35 -4.262 1.051 9.196 1.00 51.51 C ATOM 0 H LEU A 35 -7.654 2.921 7.339 1.00 22.33 H new ATOM 0 HA LEU A 35 -6.022 3.010 9.666 1.00 51.53 H new ATOM 0 HB2 LEU A 35 -5.607 2.974 6.684 1.00 13.41 H new ATOM 0 HB3 LEU A 35 -4.245 3.321 7.731 1.00 13.41 H new ATOM 0 HG LEU A 35 -5.944 0.818 7.906 1.00 62.44 H new ATOM 0 HD11 LEU A 35 -4.019 -0.321 6.869 1.00 52.43 H new ATOM 0 HD12 LEU A 35 -4.724 0.903 5.786 1.00 52.43 H new ATOM 0 HD13 LEU A 35 -3.211 1.251 6.656 1.00 52.43 H new ATOM 0 HD21 LEU A 35 -4.104 -0.021 9.315 1.00 51.51 H new ATOM 0 HD22 LEU A 35 -3.299 1.562 9.198 1.00 51.51 H new ATOM 0 HD23 LEU A 35 -4.871 1.422 10.020 1.00 51.51 H new ATOM 571 N PRO A 36 -4.730 5.259 9.556 1.00 41.25 N ATOM 572 CA PRO A 36 -4.273 6.635 9.771 1.00 43.35 C ATOM 573 C PRO A 36 -3.702 7.261 8.503 1.00 53.45 C ATOM 574 O PRO A 36 -2.738 6.755 7.929 1.00 61.54 O ATOM 575 CB PRO A 36 -3.179 6.484 10.831 1.00 51.12 C ATOM 576 CG PRO A 36 -2.682 5.089 10.667 1.00 55.23 C ATOM 577 CD PRO A 36 -3.870 4.275 10.234 1.00 34.15 C ATOM 0 HA PRO A 36 -5.089 7.293 10.071 1.00 43.35 H new ATOM 0 HB2 PRO A 36 -2.379 7.209 10.681 1.00 51.12 H new ATOM 0 HB3 PRO A 36 -3.574 6.648 11.834 1.00 51.12 H new ATOM 0 HG2 PRO A 36 -1.886 5.043 9.924 1.00 55.23 H new ATOM 0 HG3 PRO A 36 -2.268 4.710 11.601 1.00 55.23 H new ATOM 0 HD2 PRO A 36 -3.580 3.466 9.564 1.00 34.15 H new ATOM 0 HD3 PRO A 36 -4.376 3.818 11.085 1.00 34.15 H new ATOM 585 N ILE A 37 -4.303 8.365 8.071 1.00 14.02 N ATOM 586 CA ILE A 37 -3.853 9.060 6.872 1.00 54.52 C ATOM 587 C ILE A 37 -2.502 9.729 7.099 1.00 40.44 C ATOM 588 O ILE A 37 -1.670 9.793 6.194 1.00 25.31 O ATOM 589 CB ILE A 37 -4.872 10.125 6.423 1.00 43.11 C ATOM 590 CG1 ILE A 37 -5.119 11.132 7.548 1.00 42.31 C ATOM 591 CG2 ILE A 37 -6.176 9.466 5.999 1.00 24.42 C ATOM 592 CD1 ILE A 37 -6.152 12.182 7.203 1.00 42.11 C ATOM 0 H ILE A 37 -5.103 8.797 8.534 1.00 14.02 H new ATOM 0 HA ILE A 37 -3.756 8.308 6.089 1.00 54.52 H new ATOM 0 HB ILE A 37 -4.463 10.659 5.566 1.00 43.11 H new ATOM 0 HG12 ILE A 37 -5.442 10.596 8.440 1.00 42.31 H new ATOM 0 HG13 ILE A 37 -4.179 11.626 7.795 1.00 42.31 H new ATOM 0 HG21 ILE A 37 -6.885 10.232 5.685 1.00 24.42 H new ATOM 0 HG22 ILE A 37 -5.986 8.785 5.170 1.00 24.42 H new ATOM 0 HG23 ILE A 37 -6.592 8.909 6.838 1.00 24.42 H new ATOM 0 HD11 ILE A 37 -6.276 12.862 8.046 1.00 42.11 H new ATOM 0 HD12 ILE A 37 -5.822 12.744 6.329 1.00 42.11 H new ATOM 0 HD13 ILE A 37 -7.104 11.698 6.984 1.00 42.11 H new ATOM 604 N SER A 38 -2.290 10.226 8.313 1.00 11.02 N ATOM 605 CA SER A 38 -1.040 10.892 8.659 1.00 10.33 C ATOM 606 C SER A 38 0.126 9.908 8.632 1.00 53.41 C ATOM 607 O SER A 38 1.291 10.308 8.619 1.00 13.03 O ATOM 608 CB SER A 38 -1.147 11.536 10.043 1.00 24.11 C ATOM 609 OG SER A 38 -1.667 12.851 9.955 1.00 4.21 O ATOM 0 H SER A 38 -2.968 10.180 9.074 1.00 11.02 H new ATOM 0 HA SER A 38 -0.854 11.669 7.918 1.00 10.33 H new ATOM 0 HB2 SER A 38 -1.790 10.929 10.681 1.00 24.11 H new ATOM 0 HB3 SER A 38 -0.164 11.561 10.513 1.00 24.11 H new ATOM 0 HG SER A 38 -1.727 13.240 10.853 1.00 4.21 H new ATOM 615 N LEU A 39 -0.197 8.620 8.623 1.00 65.31 N ATOM 616 CA LEU A 39 0.823 7.576 8.597 1.00 12.40 C ATOM 617 C LEU A 39 1.343 7.359 7.180 1.00 62.51 C ATOM 618 O LEU A 39 2.491 6.960 6.983 1.00 5.33 O ATOM 619 CB LEU A 39 0.256 6.268 9.151 1.00 12.11 C ATOM 620 CG LEU A 39 1.205 5.439 10.017 1.00 33.12 C ATOM 621 CD1 LEU A 39 0.457 4.826 11.191 1.00 23.51 C ATOM 622 CD2 LEU A 39 1.877 4.356 9.186 1.00 74.22 C ATOM 0 H LEU A 39 -1.156 8.273 8.633 1.00 65.31 H new ATOM 0 HA LEU A 39 1.654 7.898 9.224 1.00 12.40 H new ATOM 0 HB2 LEU A 39 -0.631 6.500 9.740 1.00 12.11 H new ATOM 0 HB3 LEU A 39 -0.070 5.653 8.313 1.00 12.11 H new ATOM 0 HG LEU A 39 1.978 6.099 10.410 1.00 33.12 H new ATOM 0 HD11 LEU A 39 1.148 4.239 11.796 1.00 23.51 H new ATOM 0 HD12 LEU A 39 0.024 5.619 11.800 1.00 23.51 H new ATOM 0 HD13 LEU A 39 -0.338 4.180 10.819 1.00 23.51 H new ATOM 0 HD21 LEU A 39 2.549 3.776 9.819 1.00 74.22 H new ATOM 0 HD22 LEU A 39 1.118 3.698 8.764 1.00 74.22 H new ATOM 0 HD23 LEU A 39 2.447 4.817 8.379 1.00 74.22 H new ATOM 634 N PHE A 40 0.491 7.624 6.195 1.00 45.30 N ATOM 635 CA PHE A 40 0.866 7.459 4.795 1.00 35.43 C ATOM 636 C PHE A 40 0.661 8.757 4.020 1.00 0.13 C ATOM 637 O PHE A 40 -0.453 9.275 3.939 1.00 2.32 O ATOM 638 CB PHE A 40 0.046 6.336 4.156 1.00 63.50 C ATOM 639 CG PHE A 40 -0.121 5.136 5.044 1.00 60.43 C ATOM 640 CD1 PHE A 40 -1.170 5.066 5.947 1.00 43.24 C ATOM 641 CD2 PHE A 40 0.770 4.077 4.975 1.00 20.20 C ATOM 642 CE1 PHE A 40 -1.325 3.964 6.765 1.00 34.42 C ATOM 643 CE2 PHE A 40 0.619 2.971 5.791 1.00 42.22 C ATOM 644 CZ PHE A 40 -0.431 2.914 6.686 1.00 3.23 C ATOM 0 H PHE A 40 -0.463 7.954 6.340 1.00 45.30 H new ATOM 0 HA PHE A 40 1.923 7.197 4.756 1.00 35.43 H new ATOM 0 HB2 PHE A 40 -0.938 6.722 3.891 1.00 63.50 H new ATOM 0 HB3 PHE A 40 0.528 6.027 3.228 1.00 63.50 H new ATOM 0 HD1 PHE A 40 -1.874 5.882 6.012 1.00 43.24 H new ATOM 0 HD2 PHE A 40 1.592 4.116 4.276 1.00 20.20 H new ATOM 0 HE1 PHE A 40 -2.145 3.923 7.466 1.00 34.42 H new ATOM 0 HE2 PHE A 40 1.321 2.153 5.728 1.00 42.22 H new ATOM 0 HZ PHE A 40 -0.553 2.050 7.323 1.00 3.23 H new ATOM 654 N ASP A 41 1.744 9.277 3.453 1.00 11.12 N ATOM 655 CA ASP A 41 1.685 10.515 2.684 1.00 34.30 C ATOM 656 C ASP A 41 0.695 10.390 1.530 1.00 50.32 C ATOM 657 O ASP A 41 0.154 11.388 1.052 1.00 1.13 O ATOM 658 CB ASP A 41 3.071 10.873 2.147 1.00 41.30 C ATOM 659 CG ASP A 41 3.110 12.253 1.520 1.00 1.12 C ATOM 660 OD1 ASP A 41 2.711 12.381 0.344 1.00 45.41 O ATOM 661 OD2 ASP A 41 3.540 13.205 2.206 1.00 62.44 O ATOM 0 H ASP A 41 2.673 8.861 3.511 1.00 11.12 H new ATOM 0 HA ASP A 41 1.345 11.310 3.347 1.00 34.30 H new ATOM 0 HB2 ASP A 41 3.796 10.826 2.960 1.00 41.30 H new ATOM 0 HB3 ASP A 41 3.373 10.132 1.407 1.00 41.30 H new ATOM 666 N TYR A 42 0.464 9.160 1.086 1.00 53.03 N ATOM 667 CA TYR A 42 -0.458 8.905 -0.015 1.00 11.40 C ATOM 668 C TYR A 42 -1.173 7.570 0.171 1.00 43.43 C ATOM 669 O TYR A 42 -0.536 6.526 0.308 1.00 61.45 O ATOM 670 CB TYR A 42 0.292 8.914 -1.348 1.00 53.22 C ATOM 671 CG TYR A 42 -0.596 8.654 -2.544 1.00 33.10 C ATOM 672 CD1 TYR A 42 -1.865 9.215 -2.627 1.00 62.01 C ATOM 673 CD2 TYR A 42 -0.168 7.846 -3.590 1.00 45.40 C ATOM 674 CE1 TYR A 42 -2.680 8.979 -3.717 1.00 50.53 C ATOM 675 CE2 TYR A 42 -0.975 7.607 -4.685 1.00 33.43 C ATOM 676 CZ TYR A 42 -2.231 8.175 -4.744 1.00 4.14 C ATOM 677 OH TYR A 42 -3.039 7.938 -5.832 1.00 22.53 O ATOM 0 H TYR A 42 0.902 8.323 1.471 1.00 53.03 H new ATOM 0 HA TYR A 42 -1.205 9.698 -0.021 1.00 11.40 H new ATOM 0 HB2 TYR A 42 0.782 9.880 -1.473 1.00 53.22 H new ATOM 0 HB3 TYR A 42 1.078 8.159 -1.318 1.00 53.22 H new ATOM 0 HD1 TYR A 42 -2.220 9.846 -1.826 1.00 62.01 H new ATOM 0 HD2 TYR A 42 0.813 7.397 -3.546 1.00 45.40 H new ATOM 0 HE1 TYR A 42 -3.664 9.422 -3.765 1.00 50.53 H new ATOM 0 HE2 TYR A 42 -0.625 6.979 -5.491 1.00 33.43 H new ATOM 0 HH TYR A 42 -3.890 8.411 -5.717 1.00 22.53 H new ATOM 687 N PHE A 43 -2.501 7.613 0.174 1.00 40.14 N ATOM 688 CA PHE A 43 -3.304 6.408 0.342 1.00 33.15 C ATOM 689 C PHE A 43 -4.435 6.360 -0.681 1.00 62.12 C ATOM 690 O PHE A 43 -5.343 7.192 -0.658 1.00 63.53 O ATOM 691 CB PHE A 43 -3.881 6.348 1.759 1.00 64.24 C ATOM 692 CG PHE A 43 -3.959 4.955 2.315 1.00 2.14 C ATOM 693 CD1 PHE A 43 -4.054 3.861 1.470 1.00 4.23 C ATOM 694 CD2 PHE A 43 -3.938 4.740 3.684 1.00 31.20 C ATOM 695 CE1 PHE A 43 -4.125 2.578 1.979 1.00 14.13 C ATOM 696 CE2 PHE A 43 -4.009 3.459 4.199 1.00 52.12 C ATOM 697 CZ PHE A 43 -4.104 2.377 3.346 1.00 52.15 C ATOM 0 H PHE A 43 -3.044 8.469 0.062 1.00 40.14 H new ATOM 0 HA PHE A 43 -2.657 5.546 0.183 1.00 33.15 H new ATOM 0 HB2 PHE A 43 -3.267 6.960 2.419 1.00 64.24 H new ATOM 0 HB3 PHE A 43 -4.879 6.786 1.755 1.00 64.24 H new ATOM 0 HD1 PHE A 43 -4.073 4.013 0.401 1.00 4.23 H new ATOM 0 HD2 PHE A 43 -3.865 5.582 4.356 1.00 31.20 H new ATOM 0 HE1 PHE A 43 -4.197 1.734 1.309 1.00 14.13 H new ATOM 0 HE2 PHE A 43 -3.990 3.304 5.268 1.00 52.12 H new ATOM 0 HZ PHE A 43 -4.162 1.376 3.747 1.00 52.15 H new ATOM 707 N ILE A 44 -4.372 5.382 -1.578 1.00 23.50 N ATOM 708 CA ILE A 44 -5.390 5.225 -2.609 1.00 65.55 C ATOM 709 C ILE A 44 -5.759 3.757 -2.799 1.00 4.13 C ATOM 710 O ILE A 44 -4.890 2.909 -3.003 1.00 73.41 O ATOM 711 CB ILE A 44 -4.919 5.802 -3.957 1.00 63.35 C ATOM 712 CG1 ILE A 44 -5.885 5.401 -5.074 1.00 12.40 C ATOM 713 CG2 ILE A 44 -3.509 5.326 -4.274 1.00 22.20 C ATOM 714 CD1 ILE A 44 -6.133 6.502 -6.082 1.00 62.52 C ATOM 0 H ILE A 44 -3.627 4.686 -1.612 1.00 23.50 H new ATOM 0 HA ILE A 44 -6.267 5.777 -2.273 1.00 65.55 H new ATOM 0 HB ILE A 44 -4.907 6.890 -3.885 1.00 63.35 H new ATOM 0 HG12 ILE A 44 -5.487 4.528 -5.592 1.00 12.40 H new ATOM 0 HG13 ILE A 44 -6.836 5.103 -4.632 1.00 12.40 H new ATOM 0 HG21 ILE A 44 -3.191 5.742 -5.230 1.00 22.20 H new ATOM 0 HG22 ILE A 44 -2.828 5.657 -3.489 1.00 22.20 H new ATOM 0 HG23 ILE A 44 -3.496 4.238 -4.330 1.00 22.20 H new ATOM 0 HD11 ILE A 44 -6.827 6.148 -6.844 1.00 62.52 H new ATOM 0 HD12 ILE A 44 -6.560 7.368 -5.577 1.00 62.52 H new ATOM 0 HD13 ILE A 44 -5.191 6.784 -6.552 1.00 62.52 H new ATOM 726 N VAL A 45 -7.054 3.465 -2.731 1.00 24.30 N ATOM 727 CA VAL A 45 -7.539 2.100 -2.898 1.00 0.12 C ATOM 728 C VAL A 45 -8.744 2.056 -3.831 1.00 21.53 C ATOM 729 O VAL A 45 -9.496 3.024 -3.938 1.00 24.54 O ATOM 730 CB VAL A 45 -7.927 1.473 -1.545 1.00 52.25 C ATOM 731 CG1 VAL A 45 -8.026 -0.040 -1.667 1.00 13.21 C ATOM 732 CG2 VAL A 45 -6.926 1.866 -0.470 1.00 23.52 C ATOM 0 H VAL A 45 -7.786 4.155 -2.562 1.00 24.30 H new ATOM 0 HA VAL A 45 -6.723 1.525 -3.336 1.00 0.12 H new ATOM 0 HB VAL A 45 -8.906 1.854 -1.254 1.00 52.25 H new ATOM 0 HG11 VAL A 45 -8.301 -0.466 -0.702 1.00 13.21 H new ATOM 0 HG12 VAL A 45 -8.785 -0.297 -2.406 1.00 13.21 H new ATOM 0 HG13 VAL A 45 -7.063 -0.444 -1.980 1.00 13.21 H new ATOM 0 HG21 VAL A 45 -7.215 1.415 0.479 1.00 23.52 H new ATOM 0 HG22 VAL A 45 -5.933 1.515 -0.751 1.00 23.52 H new ATOM 0 HG23 VAL A 45 -6.911 2.951 -0.366 1.00 23.52 H new ATOM 742 N GLY A 46 -8.922 0.923 -4.505 1.00 51.41 N ATOM 743 CA GLY A 46 -10.038 0.773 -5.421 1.00 0.14 C ATOM 744 C GLY A 46 -10.553 -0.651 -5.478 1.00 61.40 C ATOM 745 O GLY A 46 -9.770 -1.601 -5.483 1.00 52.20 O ATOM 0 H GLY A 46 -8.314 0.107 -4.433 1.00 51.41 H new ATOM 0 HA2 GLY A 46 -10.847 1.437 -5.115 1.00 0.14 H new ATOM 0 HA3 GLY A 46 -9.730 1.085 -6.419 1.00 0.14 H new ATOM 749 N GLU A 47 -11.873 -0.801 -5.520 1.00 13.43 N ATOM 750 CA GLU A 47 -12.491 -2.120 -5.574 1.00 62.43 C ATOM 751 C GLU A 47 -13.103 -2.378 -6.948 1.00 73.20 C ATOM 752 O GLU A 47 -13.792 -1.522 -7.502 1.00 2.01 O ATOM 753 CB GLU A 47 -13.565 -2.250 -4.492 1.00 60.53 C ATOM 754 CG GLU A 47 -14.408 -3.508 -4.619 1.00 62.35 C ATOM 755 CD GLU A 47 -14.485 -4.292 -3.324 1.00 22.32 C ATOM 756 OE1 GLU A 47 -15.310 -3.929 -2.459 1.00 43.23 O ATOM 757 OE2 GLU A 47 -13.721 -5.269 -3.174 1.00 41.40 O ATOM 0 H GLU A 47 -12.535 -0.025 -5.518 1.00 13.43 H new ATOM 0 HA GLU A 47 -11.715 -2.864 -5.396 1.00 62.43 H new ATOM 0 HB2 GLU A 47 -13.086 -2.241 -3.513 1.00 60.53 H new ATOM 0 HB3 GLU A 47 -14.219 -1.379 -4.534 1.00 60.53 H new ATOM 0 HG2 GLU A 47 -15.415 -3.236 -4.935 1.00 62.35 H new ATOM 0 HG3 GLU A 47 -13.990 -4.144 -5.400 1.00 62.35 H new ATOM 875 N PRO A 56 -15.388 -9.891 -5.904 1.00 44.12 N ATOM 876 CA PRO A 56 -14.774 -8.568 -5.756 1.00 43.12 C ATOM 877 C PRO A 56 -13.405 -8.635 -5.087 1.00 60.54 C ATOM 878 O PRO A 56 -13.248 -9.249 -4.031 1.00 75.23 O ATOM 879 CB PRO A 56 -15.766 -7.814 -4.868 1.00 13.31 C ATOM 880 CG PRO A 56 -16.473 -8.878 -4.101 1.00 4.21 C ATOM 881 CD PRO A 56 -16.550 -10.067 -5.018 1.00 13.10 C ATOM 0 HA PRO A 56 -14.596 -8.092 -6.720 1.00 43.12 H new ATOM 0 HB2 PRO A 56 -15.253 -7.120 -4.202 1.00 13.31 H new ATOM 0 HB3 PRO A 56 -16.464 -7.226 -5.464 1.00 13.31 H new ATOM 0 HG2 PRO A 56 -15.933 -9.124 -3.187 1.00 4.21 H new ATOM 0 HG3 PRO A 56 -17.469 -8.549 -3.804 1.00 4.21 H new ATOM 0 HD2 PRO A 56 -16.495 -11.005 -4.465 1.00 13.10 H new ATOM 0 HD3 PRO A 56 -17.484 -10.082 -5.579 1.00 13.10 H new ATOM 889 N HIS A 57 -12.416 -8.001 -5.709 1.00 1.44 N ATOM 890 CA HIS A 57 -11.060 -7.988 -5.172 1.00 64.11 C ATOM 891 C HIS A 57 -10.658 -6.580 -4.742 1.00 74.24 C ATOM 892 O HIS A 57 -10.998 -5.598 -5.403 1.00 45.34 O ATOM 893 CB HIS A 57 -10.072 -8.517 -6.213 1.00 31.25 C ATOM 894 CG HIS A 57 -8.752 -8.923 -5.633 1.00 43.43 C ATOM 895 ND1 HIS A 57 -8.271 -10.214 -5.686 1.00 73.04 N ATOM 896 CD2 HIS A 57 -7.808 -8.198 -4.988 1.00 33.04 C ATOM 897 CE1 HIS A 57 -7.090 -10.267 -5.097 1.00 13.42 C ATOM 898 NE2 HIS A 57 -6.786 -9.056 -4.664 1.00 71.24 N ATOM 0 H HIS A 57 -12.528 -7.490 -6.585 1.00 1.44 H new ATOM 0 HA HIS A 57 -11.037 -8.636 -4.296 1.00 64.11 H new ATOM 0 HB2 HIS A 57 -10.516 -9.374 -6.721 1.00 31.25 H new ATOM 0 HB3 HIS A 57 -9.907 -7.749 -6.969 1.00 31.25 H new ATOM 0 HD1 HIS A 57 -8.752 -11.005 -6.114 1.00 73.04 H new ATOM 0 HD2 HIS A 57 -7.851 -7.141 -4.769 1.00 33.04 H new ATOM 0 HE1 HIS A 57 -6.477 -11.150 -4.988 1.00 13.42 H new ATOM 906 N LEU A 58 -9.936 -6.489 -3.632 1.00 24.55 N ATOM 907 CA LEU A 58 -9.488 -5.201 -3.113 1.00 35.43 C ATOM 908 C LEU A 58 -8.041 -4.928 -3.507 1.00 64.33 C ATOM 909 O LEU A 58 -7.127 -5.631 -3.075 1.00 51.31 O ATOM 910 CB LEU A 58 -9.629 -5.166 -1.590 1.00 34.01 C ATOM 911 CG LEU A 58 -10.509 -4.051 -1.023 1.00 73.40 C ATOM 912 CD1 LEU A 58 -10.426 -4.025 0.495 1.00 21.42 C ATOM 913 CD2 LEU A 58 -10.104 -2.705 -1.604 1.00 55.53 C ATOM 0 H LEU A 58 -9.648 -7.292 -3.073 1.00 24.55 H new ATOM 0 HA LEU A 58 -10.116 -4.424 -3.548 1.00 35.43 H new ATOM 0 HB2 LEU A 58 -10.033 -6.123 -1.260 1.00 34.01 H new ATOM 0 HB3 LEU A 58 -8.634 -5.073 -1.155 1.00 34.01 H new ATOM 0 HG LEU A 58 -11.542 -4.251 -1.306 1.00 73.40 H new ATOM 0 HD11 LEU A 58 -11.059 -3.225 0.880 1.00 21.42 H new ATOM 0 HD12 LEU A 58 -10.766 -4.981 0.894 1.00 21.42 H new ATOM 0 HD13 LEU A 58 -9.394 -3.850 0.800 1.00 21.42 H new ATOM 0 HD21 LEU A 58 -10.741 -1.923 -1.190 1.00 55.53 H new ATOM 0 HD22 LEU A 58 -9.064 -2.498 -1.352 1.00 55.53 H new ATOM 0 HD23 LEU A 58 -10.217 -2.728 -2.688 1.00 55.53 H new ATOM 925 N GLN A 59 -7.840 -3.903 -4.329 1.00 2.24 N ATOM 926 CA GLN A 59 -6.503 -3.536 -4.780 1.00 25.43 C ATOM 927 C GLN A 59 -6.222 -2.062 -4.510 1.00 1.13 C ATOM 928 O GLN A 59 -6.822 -1.182 -5.126 1.00 35.44 O ATOM 929 CB GLN A 59 -6.346 -3.833 -6.272 1.00 42.31 C ATOM 930 CG GLN A 59 -5.150 -3.142 -6.907 1.00 51.43 C ATOM 931 CD GLN A 59 -3.836 -3.545 -6.268 1.00 43.35 C ATOM 932 OE1 GLN A 59 -3.609 -3.303 -5.083 1.00 3.04 O ATOM 933 NE2 GLN A 59 -2.961 -4.163 -7.053 1.00 71.40 N ATOM 0 H GLN A 59 -8.586 -3.312 -4.696 1.00 2.24 H new ATOM 0 HA GLN A 59 -5.782 -4.132 -4.220 1.00 25.43 H new ATOM 0 HB2 GLN A 59 -6.249 -4.910 -6.411 1.00 42.31 H new ATOM 0 HB3 GLN A 59 -7.252 -3.524 -6.793 1.00 42.31 H new ATOM 0 HG2 GLN A 59 -5.120 -3.380 -7.970 1.00 51.43 H new ATOM 0 HG3 GLN A 59 -5.273 -2.062 -6.825 1.00 51.43 H new ATOM 0 HE21 GLN A 59 -3.191 -4.343 -8.030 1.00 71.40 H new ATOM 0 HE22 GLN A 59 -2.059 -4.457 -6.679 1.00 71.40 H new ATOM 942 N GLY A 60 -5.305 -1.799 -3.584 1.00 4.33 N ATOM 943 CA GLY A 60 -4.961 -0.429 -3.248 1.00 61.31 C ATOM 944 C GLY A 60 -3.486 -0.260 -2.941 1.00 71.25 C ATOM 945 O GLY A 60 -2.799 -1.226 -2.610 1.00 23.41 O ATOM 0 H GLY A 60 -4.794 -2.510 -3.060 1.00 4.33 H new ATOM 0 HA2 GLY A 60 -5.234 0.224 -4.077 1.00 61.31 H new ATOM 0 HA3 GLY A 60 -5.547 -0.112 -2.386 1.00 61.31 H new ATOM 949 N PHE A 61 -2.997 0.970 -3.054 1.00 14.44 N ATOM 950 CA PHE A 61 -1.593 1.263 -2.789 1.00 35.45 C ATOM 951 C PHE A 61 -1.455 2.352 -1.729 1.00 33.54 C ATOM 952 O PHE A 61 -2.218 3.317 -1.712 1.00 35.20 O ATOM 953 CB PHE A 61 -0.889 1.696 -4.076 1.00 22.22 C ATOM 954 CG PHE A 61 0.433 2.368 -3.838 1.00 50.44 C ATOM 955 CD1 PHE A 61 1.444 1.715 -3.153 1.00 3.25 C ATOM 956 CD2 PHE A 61 0.664 3.654 -4.302 1.00 24.55 C ATOM 957 CE1 PHE A 61 2.661 2.332 -2.932 1.00 42.21 C ATOM 958 CE2 PHE A 61 1.880 4.276 -4.084 1.00 75.45 C ATOM 959 CZ PHE A 61 2.880 3.613 -3.400 1.00 15.53 C ATOM 0 H PHE A 61 -3.552 1.781 -3.327 1.00 14.44 H new ATOM 0 HA PHE A 61 -1.123 0.354 -2.414 1.00 35.45 H new ATOM 0 HB2 PHE A 61 -0.735 0.822 -4.708 1.00 22.22 H new ATOM 0 HB3 PHE A 61 -1.540 2.376 -4.626 1.00 22.22 H new ATOM 0 HD1 PHE A 61 1.280 0.712 -2.787 1.00 3.25 H new ATOM 0 HD2 PHE A 61 -0.114 4.176 -4.839 1.00 24.55 H new ATOM 0 HE1 PHE A 61 3.440 1.813 -2.394 1.00 42.21 H new ATOM 0 HE2 PHE A 61 2.047 5.279 -4.448 1.00 75.45 H new ATOM 0 HZ PHE A 61 3.832 4.095 -3.231 1.00 15.53 H new ATOM 969 N ALA A 62 -0.476 2.188 -0.845 1.00 33.11 N ATOM 970 CA ALA A 62 -0.236 3.157 0.218 1.00 74.45 C ATOM 971 C ALA A 62 1.249 3.479 0.341 1.00 31.04 C ATOM 972 O ALA A 62 2.096 2.593 0.239 1.00 44.21 O ATOM 973 CB ALA A 62 -0.777 2.634 1.540 1.00 32.12 C ATOM 0 H ALA A 62 0.164 1.393 -0.844 1.00 33.11 H new ATOM 0 HA ALA A 62 -0.760 4.078 -0.037 1.00 74.45 H new ATOM 0 HB1 ALA A 62 -0.591 3.367 2.325 1.00 32.12 H new ATOM 0 HB2 ALA A 62 -1.850 2.461 1.451 1.00 32.12 H new ATOM 0 HB3 ALA A 62 -0.278 1.698 1.792 1.00 32.12 H new ATOM 979 N ASN A 63 1.557 4.753 0.562 1.00 72.01 N ATOM 980 CA ASN A 63 2.941 5.192 0.698 1.00 12.24 C ATOM 981 C ASN A 63 3.284 5.464 2.160 1.00 33.20 C ATOM 982 O ASN A 63 2.735 6.376 2.778 1.00 0.15 O ATOM 983 CB ASN A 63 3.183 6.451 -0.136 1.00 53.53 C ATOM 984 CG ASN A 63 3.791 6.140 -1.490 1.00 23.21 C ATOM 985 OD1 ASN A 63 4.771 5.400 -1.587 1.00 52.41 O ATOM 986 ND2 ASN A 63 3.212 6.704 -2.543 1.00 51.30 N ATOM 0 H ASN A 63 0.867 5.499 0.651 1.00 72.01 H new ATOM 0 HA ASN A 63 3.587 4.393 0.334 1.00 12.24 H new ATOM 0 HB2 ASN A 63 2.239 6.977 -0.277 1.00 53.53 H new ATOM 0 HB3 ASN A 63 3.844 7.124 0.410 1.00 53.53 H new ATOM 0 HD21 ASN A 63 3.577 6.531 -3.479 1.00 51.30 H new ATOM 0 HD22 ASN A 63 2.402 7.310 -2.416 1.00 51.30 H new ATOM 993 N PHE A 64 4.195 4.666 2.706 1.00 21.24 N ATOM 994 CA PHE A 64 4.612 4.819 4.095 1.00 15.34 C ATOM 995 C PHE A 64 5.451 6.081 4.275 1.00 21.33 C ATOM 996 O PHE A 64 6.423 6.302 3.552 1.00 32.34 O ATOM 997 CB PHE A 64 5.408 3.594 4.550 1.00 54.13 C ATOM 998 CG PHE A 64 4.623 2.662 5.428 1.00 64.40 C ATOM 999 CD1 PHE A 64 4.383 2.977 6.756 1.00 50.14 C ATOM 1000 CD2 PHE A 64 4.126 1.470 4.926 1.00 62.21 C ATOM 1001 CE1 PHE A 64 3.662 2.120 7.566 1.00 43.21 C ATOM 1002 CE2 PHE A 64 3.404 0.609 5.731 1.00 4.14 C ATOM 1003 CZ PHE A 64 3.171 0.935 7.053 1.00 44.51 C ATOM 0 H PHE A 64 4.659 3.906 2.208 1.00 21.24 H new ATOM 0 HA PHE A 64 3.716 4.909 4.709 1.00 15.34 H new ATOM 0 HB2 PHE A 64 5.754 3.048 3.672 1.00 54.13 H new ATOM 0 HB3 PHE A 64 6.295 3.927 5.088 1.00 54.13 H new ATOM 0 HD1 PHE A 64 4.764 3.902 7.163 1.00 50.14 H new ATOM 0 HD2 PHE A 64 4.305 1.210 3.893 1.00 62.21 H new ATOM 0 HE1 PHE A 64 3.483 2.377 8.600 1.00 43.21 H new ATOM 0 HE2 PHE A 64 3.023 -0.317 5.327 1.00 4.14 H new ATOM 0 HZ PHE A 64 2.606 0.265 7.684 1.00 44.51 H new ATOM 1013 N VAL A 65 5.068 6.906 5.245 1.00 63.14 N ATOM 1014 CA VAL A 65 5.785 8.145 5.521 1.00 50.20 C ATOM 1015 C VAL A 65 7.234 7.868 5.905 1.00 0.13 C ATOM 1016 O VAL A 65 8.105 8.723 5.745 1.00 1.34 O ATOM 1017 CB VAL A 65 5.109 8.944 6.651 1.00 3.23 C ATOM 1018 CG1 VAL A 65 5.984 10.115 7.074 1.00 33.33 C ATOM 1019 CG2 VAL A 65 3.734 9.426 6.214 1.00 22.22 C ATOM 0 H VAL A 65 4.266 6.738 5.852 1.00 63.14 H new ATOM 0 HA VAL A 65 5.762 8.735 4.605 1.00 50.20 H new ATOM 0 HB VAL A 65 4.982 8.287 7.511 1.00 3.23 H new ATOM 0 HG11 VAL A 65 5.490 10.668 7.873 1.00 33.33 H new ATOM 0 HG12 VAL A 65 6.944 9.742 7.430 1.00 33.33 H new ATOM 0 HG13 VAL A 65 6.145 10.775 6.222 1.00 33.33 H new ATOM 0 HG21 VAL A 65 3.271 9.989 7.025 1.00 22.22 H new ATOM 0 HG22 VAL A 65 3.835 10.067 5.338 1.00 22.22 H new ATOM 0 HG23 VAL A 65 3.110 8.568 5.965 1.00 22.22 H new ATOM 1029 N LYS A 66 7.486 6.666 6.413 1.00 2.41 N ATOM 1030 CA LYS A 66 8.830 6.274 6.819 1.00 22.45 C ATOM 1031 C LYS A 66 9.243 4.969 6.146 1.00 71.14 C ATOM 1032 O LYS A 66 8.520 4.438 5.302 1.00 22.10 O ATOM 1033 CB LYS A 66 8.901 6.119 8.340 1.00 13.04 C ATOM 1034 CG LYS A 66 7.754 5.311 8.923 1.00 3.04 C ATOM 1035 CD LYS A 66 6.626 6.209 9.401 1.00 15.11 C ATOM 1036 CE LYS A 66 6.796 6.588 10.864 1.00 2.32 C ATOM 1037 NZ LYS A 66 6.060 7.837 11.203 1.00 55.30 N ATOM 0 H LYS A 66 6.777 5.947 6.553 1.00 2.41 H new ATOM 0 HA LYS A 66 9.520 7.058 6.507 1.00 22.45 H new ATOM 0 HB2 LYS A 66 9.843 5.639 8.604 1.00 13.04 H new ATOM 0 HB3 LYS A 66 8.907 7.108 8.798 1.00 13.04 H new ATOM 0 HG2 LYS A 66 7.376 4.619 8.170 1.00 3.04 H new ATOM 0 HG3 LYS A 66 8.118 4.709 9.755 1.00 3.04 H new ATOM 0 HD2 LYS A 66 6.596 7.112 8.791 1.00 15.11 H new ATOM 0 HD3 LYS A 66 5.672 5.700 9.265 1.00 15.11 H new ATOM 0 HE2 LYS A 66 6.438 5.774 11.494 1.00 2.32 H new ATOM 0 HE3 LYS A 66 7.855 6.720 11.084 1.00 2.32 H new ATOM 0 HZ1 LYS A 66 6.201 8.061 12.209 1.00 55.30 H new ATOM 0 HZ2 LYS A 66 6.418 8.620 10.620 1.00 55.30 H new ATOM 0 HZ3 LYS A 66 5.045 7.703 11.017 1.00 55.30 H new ATOM 1051 N LYS A 67 10.409 4.456 6.524 1.00 33.20 N ATOM 1052 CA LYS A 67 10.917 3.212 5.959 1.00 61.40 C ATOM 1053 C LYS A 67 10.400 2.008 6.740 1.00 31.13 C ATOM 1054 O LYS A 67 10.578 1.923 7.955 1.00 14.00 O ATOM 1055 CB LYS A 67 12.447 3.215 5.960 1.00 24.43 C ATOM 1056 CG LYS A 67 13.054 4.366 5.177 1.00 61.33 C ATOM 1057 CD LYS A 67 13.784 3.874 3.938 1.00 21.32 C ATOM 1058 CE LYS A 67 14.476 5.015 3.209 1.00 4.11 C ATOM 1059 NZ LYS A 67 14.872 4.630 1.826 1.00 3.50 N ATOM 0 H LYS A 67 11.020 4.883 7.220 1.00 33.20 H new ATOM 0 HA LYS A 67 10.560 3.137 4.932 1.00 61.40 H new ATOM 0 HB2 LYS A 67 12.801 3.261 6.990 1.00 24.43 H new ATOM 0 HB3 LYS A 67 12.804 2.274 5.542 1.00 24.43 H new ATOM 0 HG2 LYS A 67 12.268 5.063 4.885 1.00 61.33 H new ATOM 0 HG3 LYS A 67 13.747 4.916 5.814 1.00 61.33 H new ATOM 0 HD2 LYS A 67 14.521 3.123 4.223 1.00 21.32 H new ATOM 0 HD3 LYS A 67 13.076 3.388 3.266 1.00 21.32 H new ATOM 0 HE2 LYS A 67 13.811 5.877 3.169 1.00 4.11 H new ATOM 0 HE3 LYS A 67 15.360 5.320 3.768 1.00 4.11 H new ATOM 0 HZ1 LYS A 67 15.340 5.434 1.362 1.00 3.50 H new ATOM 0 HZ2 LYS A 67 15.527 3.823 1.864 1.00 3.50 H new ATOM 0 HZ3 LYS A 67 14.025 4.363 1.284 1.00 3.50 H new ATOM 1073 N GLN A 68 9.761 1.080 6.035 1.00 44.03 N ATOM 1074 CA GLN A 68 9.220 -0.119 6.663 1.00 12.14 C ATOM 1075 C GLN A 68 9.547 -1.360 5.840 1.00 32.41 C ATOM 1076 O GLN A 68 9.717 -1.285 4.623 1.00 55.23 O ATOM 1077 CB GLN A 68 7.705 0.009 6.835 1.00 43.40 C ATOM 1078 CG GLN A 68 7.288 1.201 7.682 1.00 33.41 C ATOM 1079 CD GLN A 68 7.624 1.020 9.149 1.00 32.33 C ATOM 1080 OE1 GLN A 68 8.789 0.865 9.517 1.00 51.53 O ATOM 1081 NE2 GLN A 68 6.602 1.038 9.998 1.00 64.05 N ATOM 0 H GLN A 68 9.605 1.136 5.028 1.00 44.03 H new ATOM 0 HA GLN A 68 9.683 -0.224 7.644 1.00 12.14 H new ATOM 0 HB2 GLN A 68 7.242 0.092 5.852 1.00 43.40 H new ATOM 0 HB3 GLN A 68 7.321 -0.903 7.292 1.00 43.40 H new ATOM 0 HG2 GLN A 68 7.782 2.098 7.308 1.00 33.41 H new ATOM 0 HG3 GLN A 68 6.215 1.360 7.576 1.00 33.41 H new ATOM 0 HE21 GLN A 68 5.652 1.169 9.650 1.00 64.05 H new ATOM 0 HE22 GLN A 68 6.767 0.921 10.998 1.00 64.05 H new ATOM 1090 N THR A 69 9.634 -2.504 6.512 1.00 25.22 N ATOM 1091 CA THR A 69 9.943 -3.762 5.844 1.00 53.14 C ATOM 1092 C THR A 69 8.670 -4.514 5.474 1.00 74.25 C ATOM 1093 O THR A 69 7.571 -4.133 5.879 1.00 23.42 O ATOM 1094 CB THR A 69 10.822 -4.667 6.727 1.00 71.00 C ATOM 1095 OG1 THR A 69 10.023 -5.287 7.741 1.00 61.43 O ATOM 1096 CG2 THR A 69 11.942 -3.867 7.375 1.00 32.34 C ATOM 0 H THR A 69 9.495 -2.585 7.519 1.00 25.22 H new ATOM 0 HA THR A 69 10.491 -3.511 4.936 1.00 53.14 H new ATOM 0 HB THR A 69 11.265 -5.436 6.094 1.00 71.00 H new ATOM 0 HG1 THR A 69 10.589 -5.862 8.297 1.00 61.43 H new ATOM 0 HG21 THR A 69 12.550 -4.527 7.994 1.00 32.34 H new ATOM 0 HG22 THR A 69 12.565 -3.420 6.600 1.00 32.34 H new ATOM 0 HG23 THR A 69 11.515 -3.080 7.996 1.00 32.34 H new ATOM 1104 N PHE A 70 8.824 -5.585 4.701 1.00 12.34 N ATOM 1105 CA PHE A 70 7.685 -6.391 4.276 1.00 5.02 C ATOM 1106 C PHE A 70 6.972 -7.002 5.479 1.00 64.12 C ATOM 1107 O PHE A 70 5.766 -6.834 5.650 1.00 51.22 O ATOM 1108 CB PHE A 70 8.144 -7.498 3.325 1.00 44.35 C ATOM 1109 CG PHE A 70 7.185 -8.650 3.238 1.00 31.12 C ATOM 1110 CD1 PHE A 70 6.020 -8.545 2.495 1.00 3.11 C ATOM 1111 CD2 PHE A 70 7.448 -9.838 3.901 1.00 75.44 C ATOM 1112 CE1 PHE A 70 5.135 -9.604 2.413 1.00 3.52 C ATOM 1113 CE2 PHE A 70 6.567 -10.901 3.822 1.00 14.50 C ATOM 1114 CZ PHE A 70 5.409 -10.783 3.079 1.00 54.55 C ATOM 0 H PHE A 70 9.726 -5.914 4.357 1.00 12.34 H new ATOM 0 HA PHE A 70 6.985 -5.739 3.753 1.00 5.02 H new ATOM 0 HB2 PHE A 70 8.284 -7.076 2.330 1.00 44.35 H new ATOM 0 HB3 PHE A 70 9.115 -7.868 3.653 1.00 44.35 H new ATOM 0 HD1 PHE A 70 5.801 -7.625 1.974 1.00 3.11 H new ATOM 0 HD2 PHE A 70 8.351 -9.935 4.486 1.00 75.44 H new ATOM 0 HE1 PHE A 70 4.231 -9.510 1.829 1.00 3.52 H new ATOM 0 HE2 PHE A 70 6.784 -11.823 4.341 1.00 14.50 H new ATOM 0 HZ PHE A 70 4.718 -11.611 3.019 1.00 54.55 H new ATOM 1124 N ASN A 71 7.729 -7.713 6.309 1.00 34.11 N ATOM 1125 CA ASN A 71 7.170 -8.351 7.496 1.00 54.15 C ATOM 1126 C ASN A 71 6.571 -7.313 8.440 1.00 21.12 C ATOM 1127 O ASN A 71 5.493 -7.515 9.000 1.00 51.45 O ATOM 1128 CB ASN A 71 8.248 -9.157 8.223 1.00 52.04 C ATOM 1129 CG ASN A 71 8.168 -10.640 7.914 1.00 42.43 C ATOM 1130 OD1 ASN A 71 8.189 -11.045 6.751 1.00 3.23 O ATOM 1131 ND2 ASN A 71 8.076 -11.457 8.956 1.00 11.22 N ATOM 0 H ASN A 71 8.730 -7.862 6.182 1.00 34.11 H new ATOM 0 HA ASN A 71 6.376 -9.026 7.176 1.00 54.15 H new ATOM 0 HB2 ASN A 71 9.231 -8.782 7.939 1.00 52.04 H new ATOM 0 HB3 ASN A 71 8.147 -9.007 9.298 1.00 52.04 H new ATOM 0 HD21 ASN A 71 8.019 -12.465 8.810 1.00 11.22 H new ATOM 0 HD22 ASN A 71 8.062 -11.077 9.902 1.00 11.22 H new ATOM 1138 N LYS A 72 7.278 -6.201 8.613 1.00 32.31 N ATOM 1139 CA LYS A 72 6.817 -5.130 9.488 1.00 42.41 C ATOM 1140 C LYS A 72 5.528 -4.510 8.957 1.00 4.12 C ATOM 1141 O LYS A 72 4.558 -4.343 9.696 1.00 50.30 O ATOM 1142 CB LYS A 72 7.896 -4.053 9.621 1.00 43.30 C ATOM 1143 CG LYS A 72 7.835 -3.289 10.933 1.00 64.33 C ATOM 1144 CD LYS A 72 6.845 -2.139 10.863 1.00 33.31 C ATOM 1145 CE LYS A 72 6.348 -1.747 12.246 1.00 5.42 C ATOM 1146 NZ LYS A 72 7.434 -1.156 13.078 1.00 74.51 N ATOM 0 H LYS A 72 8.173 -6.018 8.158 1.00 32.31 H new ATOM 0 HA LYS A 72 6.616 -5.558 10.470 1.00 42.41 H new ATOM 0 HB2 LYS A 72 8.877 -4.520 9.527 1.00 43.30 H new ATOM 0 HB3 LYS A 72 7.798 -3.348 8.795 1.00 43.30 H new ATOM 0 HG2 LYS A 72 7.550 -3.967 11.737 1.00 64.33 H new ATOM 0 HG3 LYS A 72 8.825 -2.904 11.177 1.00 64.33 H new ATOM 0 HD2 LYS A 72 7.317 -1.279 10.388 1.00 33.31 H new ATOM 0 HD3 LYS A 72 5.999 -2.424 10.238 1.00 33.31 H new ATOM 0 HE2 LYS A 72 5.533 -1.030 12.149 1.00 5.42 H new ATOM 0 HE3 LYS A 72 5.942 -2.625 12.749 1.00 5.42 H new ATOM 0 HZ1 LYS A 72 7.056 -0.902 14.013 1.00 74.51 H new ATOM 0 HZ2 LYS A 72 8.201 -1.849 13.191 1.00 74.51 H new ATOM 0 HZ3 LYS A 72 7.804 -0.304 12.611 1.00 74.51 H new ATOM 1160 N VAL A 73 5.525 -4.172 7.671 1.00 21.25 N ATOM 1161 CA VAL A 73 4.355 -3.574 7.041 1.00 15.43 C ATOM 1162 C VAL A 73 3.113 -4.431 7.261 1.00 64.24 C ATOM 1163 O VAL A 73 1.989 -3.930 7.251 1.00 72.13 O ATOM 1164 CB VAL A 73 4.570 -3.378 5.529 1.00 74.43 C ATOM 1165 CG1 VAL A 73 3.247 -3.094 4.833 1.00 10.15 C ATOM 1166 CG2 VAL A 73 5.567 -2.259 5.273 1.00 65.11 C ATOM 0 H VAL A 73 6.320 -4.302 7.046 1.00 21.25 H new ATOM 0 HA VAL A 73 4.207 -2.600 7.508 1.00 15.43 H new ATOM 0 HB VAL A 73 4.980 -4.300 5.116 1.00 74.43 H new ATOM 0 HG11 VAL A 73 3.419 -2.958 3.765 1.00 10.15 H new ATOM 0 HG12 VAL A 73 2.567 -3.932 4.987 1.00 10.15 H new ATOM 0 HG13 VAL A 73 2.805 -2.188 5.247 1.00 10.15 H new ATOM 0 HG21 VAL A 73 5.707 -2.135 4.199 1.00 65.11 H new ATOM 0 HG22 VAL A 73 5.189 -1.330 5.700 1.00 65.11 H new ATOM 0 HG23 VAL A 73 6.521 -2.509 5.736 1.00 65.11 H new ATOM 1176 N LYS A 74 3.325 -5.728 7.459 1.00 14.12 N ATOM 1177 CA LYS A 74 2.224 -6.657 7.683 1.00 32.42 C ATOM 1178 C LYS A 74 1.493 -6.332 8.982 1.00 74.03 C ATOM 1179 O LYS A 74 0.408 -6.853 9.241 1.00 11.12 O ATOM 1180 CB LYS A 74 2.744 -8.096 7.725 1.00 4.13 C ATOM 1181 CG LYS A 74 3.515 -8.501 6.480 1.00 12.35 C ATOM 1182 CD LYS A 74 3.172 -9.916 6.048 1.00 21.53 C ATOM 1183 CE LYS A 74 2.240 -9.922 4.846 1.00 23.11 C ATOM 1184 NZ LYS A 74 2.065 -11.291 4.287 1.00 75.11 N ATOM 0 H LYS A 74 4.249 -6.159 7.469 1.00 14.12 H new ATOM 0 HA LYS A 74 1.522 -6.555 6.856 1.00 32.42 H new ATOM 0 HB2 LYS A 74 3.388 -8.215 8.596 1.00 4.13 H new ATOM 0 HB3 LYS A 74 1.901 -8.774 7.857 1.00 4.13 H new ATOM 0 HG2 LYS A 74 3.290 -7.808 5.670 1.00 12.35 H new ATOM 0 HG3 LYS A 74 4.585 -8.428 6.674 1.00 12.35 H new ATOM 0 HD2 LYS A 74 4.087 -10.454 5.803 1.00 21.53 H new ATOM 0 HD3 LYS A 74 2.702 -10.447 6.876 1.00 21.53 H new ATOM 0 HE2 LYS A 74 1.269 -9.522 5.137 1.00 23.11 H new ATOM 0 HE3 LYS A 74 2.638 -9.263 4.075 1.00 23.11 H new ATOM 0 HZ1 LYS A 74 1.134 -11.363 3.829 1.00 75.11 H new ATOM 0 HZ2 LYS A 74 2.811 -11.478 3.587 1.00 75.11 H new ATOM 0 HZ3 LYS A 74 2.128 -11.990 5.054 1.00 75.11 H new ATOM 1198 N TRP A 75 2.092 -5.468 9.792 1.00 4.31 N ATOM 1199 CA TRP A 75 1.497 -5.072 11.063 1.00 35.13 C ATOM 1200 C TRP A 75 0.257 -4.213 10.839 1.00 2.44 C ATOM 1201 O TRP A 75 -0.588 -4.083 11.725 1.00 2.44 O ATOM 1202 CB TRP A 75 2.515 -4.309 11.912 1.00 70.21 C ATOM 1203 CG TRP A 75 2.683 -2.879 11.496 1.00 72.24 C ATOM 1204 CD1 TRP A 75 2.714 -2.396 10.219 1.00 51.43 C ATOM 1205 CD2 TRP A 75 2.844 -1.749 12.359 1.00 44.40 C ATOM 1206 NE1 TRP A 75 2.885 -1.032 10.236 1.00 22.44 N ATOM 1207 CE2 TRP A 75 2.967 -0.611 11.537 1.00 21.12 C ATOM 1208 CE3 TRP A 75 2.895 -1.586 13.746 1.00 63.01 C ATOM 1209 CZ2 TRP A 75 3.138 0.668 12.059 1.00 45.54 C ATOM 1210 CZ3 TRP A 75 3.066 -0.315 14.262 1.00 73.52 C ATOM 1211 CH2 TRP A 75 3.185 0.798 13.420 1.00 11.41 C ATOM 0 H TRP A 75 2.990 -5.028 9.592 1.00 4.31 H new ATOM 0 HA TRP A 75 1.199 -5.977 11.593 1.00 35.13 H new ATOM 0 HB2 TRP A 75 2.204 -4.342 12.956 1.00 70.21 H new ATOM 0 HB3 TRP A 75 3.479 -4.813 11.851 1.00 70.21 H new ATOM 0 HD1 TRP A 75 2.618 -2.997 9.327 1.00 51.43 H new ATOM 0 HE1 TRP A 75 2.942 -0.431 9.414 1.00 22.44 H new ATOM 0 HE3 TRP A 75 2.802 -2.438 14.403 1.00 63.01 H new ATOM 0 HZ2 TRP A 75 3.230 1.528 11.412 1.00 45.54 H new ATOM 0 HZ3 TRP A 75 3.109 -0.178 15.332 1.00 73.52 H new ATOM 0 HH2 TRP A 75 3.316 1.778 13.854 1.00 11.41 H new ATOM 1222 N TYR A 76 0.155 -3.628 9.651 1.00 32.10 N ATOM 1223 CA TYR A 76 -0.981 -2.779 9.312 1.00 10.03 C ATOM 1224 C TYR A 76 -1.827 -3.414 8.213 1.00 12.00 C ATOM 1225 O TYR A 76 -3.046 -3.535 8.343 1.00 52.53 O ATOM 1226 CB TYR A 76 -0.497 -1.398 8.866 1.00 72.44 C ATOM 1227 CG TYR A 76 -0.643 -0.333 9.928 1.00 53.40 C ATOM 1228 CD1 TYR A 76 -1.781 -0.267 10.722 1.00 12.33 C ATOM 1229 CD2 TYR A 76 0.358 0.608 10.138 1.00 14.21 C ATOM 1230 CE1 TYR A 76 -1.919 0.706 11.694 1.00 70.15 C ATOM 1231 CE2 TYR A 76 0.229 1.584 11.108 1.00 30.50 C ATOM 1232 CZ TYR A 76 -0.911 1.629 11.883 1.00 73.52 C ATOM 1233 OH TYR A 76 -1.044 2.598 12.850 1.00 12.12 O ATOM 0 H TYR A 76 0.845 -3.726 8.906 1.00 32.10 H new ATOM 0 HA TYR A 76 -1.599 -2.669 10.203 1.00 10.03 H new ATOM 0 HB2 TYR A 76 0.551 -1.467 8.574 1.00 72.44 H new ATOM 0 HB3 TYR A 76 -1.056 -1.095 7.980 1.00 72.44 H new ATOM 0 HD1 TYR A 76 -2.572 -0.988 10.577 1.00 12.33 H new ATOM 0 HD2 TYR A 76 1.252 0.576 9.533 1.00 14.21 H new ATOM 0 HE1 TYR A 76 -2.811 0.744 12.302 1.00 70.15 H new ATOM 0 HE2 TYR A 76 1.017 2.308 11.258 1.00 30.50 H new ATOM 0 HH TYR A 76 -0.159 2.841 13.193 1.00 12.12 H new ATOM 1243 N LEU A 77 -1.172 -3.819 7.131 1.00 61.21 N ATOM 1244 CA LEU A 77 -1.862 -4.443 6.007 1.00 31.24 C ATOM 1245 C LEU A 77 -2.298 -5.863 6.356 1.00 1.35 C ATOM 1246 O LEU A 77 -3.080 -6.478 5.633 1.00 21.44 O ATOM 1247 CB LEU A 77 -0.956 -4.464 4.775 1.00 73.21 C ATOM 1248 CG LEU A 77 -0.689 -3.111 4.115 1.00 10.12 C ATOM 1249 CD1 LEU A 77 0.466 -3.215 3.132 1.00 64.31 C ATOM 1250 CD2 LEU A 77 -1.941 -2.601 3.417 1.00 35.32 C ATOM 0 H LEU A 77 -0.164 -3.727 7.008 1.00 61.21 H new ATOM 0 HA LEU A 77 -2.752 -3.853 5.786 1.00 31.24 H new ATOM 0 HB2 LEU A 77 0.001 -4.902 5.060 1.00 73.21 H new ATOM 0 HB3 LEU A 77 -1.401 -5.126 4.033 1.00 73.21 H new ATOM 0 HG LEU A 77 -0.415 -2.398 4.892 1.00 10.12 H new ATOM 0 HD11 LEU A 77 0.641 -2.242 2.672 1.00 64.31 H new ATOM 0 HD12 LEU A 77 1.365 -3.534 3.659 1.00 64.31 H new ATOM 0 HD13 LEU A 77 0.221 -3.943 2.359 1.00 64.31 H new ATOM 0 HD21 LEU A 77 -1.732 -1.637 2.953 1.00 35.32 H new ATOM 0 HD22 LEU A 77 -2.246 -3.314 2.651 1.00 35.32 H new ATOM 0 HD23 LEU A 77 -2.743 -2.486 4.146 1.00 35.32 H new ATOM 1262 N GLY A 78 -1.787 -6.376 7.472 1.00 54.30 N ATOM 1263 CA GLY A 78 -2.137 -7.718 7.899 1.00 41.01 C ATOM 1264 C GLY A 78 -1.594 -8.783 6.966 1.00 10.35 C ATOM 1265 O GLY A 78 -1.348 -8.520 5.790 1.00 45.31 O ATOM 0 H GLY A 78 -1.137 -5.886 8.087 1.00 54.30 H new ATOM 0 HA2 GLY A 78 -1.751 -7.889 8.904 1.00 41.01 H new ATOM 0 HA3 GLY A 78 -3.222 -7.807 7.955 1.00 41.01 H new ATOM 1269 N ALA A 79 -1.406 -9.988 7.493 1.00 23.23 N ATOM 1270 CA ALA A 79 -0.889 -11.096 6.700 1.00 62.31 C ATOM 1271 C ALA A 79 -1.961 -11.652 5.769 1.00 71.11 C ATOM 1272 O ALA A 79 -1.654 -12.193 4.707 1.00 73.53 O ATOM 1273 CB ALA A 79 -0.357 -12.194 7.610 1.00 44.43 C ATOM 0 H ALA A 79 -1.604 -10.222 8.466 1.00 23.23 H new ATOM 0 HA ALA A 79 -0.071 -10.720 6.086 1.00 62.31 H new ATOM 0 HB1 ALA A 79 0.026 -13.015 7.004 1.00 44.43 H new ATOM 0 HB2 ALA A 79 0.446 -11.795 8.230 1.00 44.43 H new ATOM 0 HB3 ALA A 79 -1.161 -12.559 8.249 1.00 44.43 H new ATOM 1279 N ARG A 80 -3.219 -11.515 6.175 1.00 72.33 N ATOM 1280 CA ARG A 80 -4.337 -12.006 5.377 1.00 2.22 C ATOM 1281 C ARG A 80 -4.272 -11.457 3.955 1.00 63.42 C ATOM 1282 O ARG A 80 -4.526 -12.178 2.989 1.00 43.02 O ATOM 1283 CB ARG A 80 -5.665 -11.613 6.026 1.00 32.33 C ATOM 1284 CG ARG A 80 -5.802 -12.083 7.465 1.00 11.35 C ATOM 1285 CD ARG A 80 -5.749 -13.599 7.564 1.00 33.32 C ATOM 1286 NE ARG A 80 -6.846 -14.234 6.838 1.00 50.53 N ATOM 1287 CZ ARG A 80 -6.860 -15.519 6.505 1.00 74.42 C ATOM 1288 NH1 ARG A 80 -5.843 -16.304 6.832 1.00 2.21 N ATOM 1289 NH2 ARG A 80 -7.895 -16.023 5.844 1.00 63.34 N ATOM 0 H ARG A 80 -3.490 -11.068 7.051 1.00 72.33 H new ATOM 0 HA ARG A 80 -4.269 -13.093 5.332 1.00 2.22 H new ATOM 0 HB2 ARG A 80 -5.768 -10.528 5.996 1.00 32.33 H new ATOM 0 HB3 ARG A 80 -6.484 -12.027 5.438 1.00 32.33 H new ATOM 0 HG2 ARG A 80 -5.004 -11.650 8.068 1.00 11.35 H new ATOM 0 HG3 ARG A 80 -6.744 -11.723 7.878 1.00 11.35 H new ATOM 0 HD2 ARG A 80 -4.798 -13.955 7.168 1.00 33.32 H new ATOM 0 HD3 ARG A 80 -5.789 -13.895 8.612 1.00 33.32 H new ATOM 0 HE ARG A 80 -7.645 -13.658 6.572 1.00 50.53 H new ATOM 0 HH11 ARG A 80 -5.046 -15.921 7.341 1.00 2.21 H new ATOM 0 HH12 ARG A 80 -5.857 -17.291 6.575 1.00 2.21 H new ATOM 0 HH21 ARG A 80 -8.680 -15.423 5.592 1.00 63.34 H new ATOM 0 HH22 ARG A 80 -7.905 -17.010 5.588 1.00 63.34 H new ATOM 1303 N CYS A 81 -3.931 -10.179 3.834 1.00 22.23 N ATOM 1304 CA CYS A 81 -3.834 -9.533 2.530 1.00 23.40 C ATOM 1305 C CYS A 81 -2.406 -9.595 1.998 1.00 63.12 C ATOM 1306 O CYS A 81 -1.453 -9.265 2.705 1.00 33.34 O ATOM 1307 CB CYS A 81 -4.294 -8.078 2.623 1.00 41.11 C ATOM 1308 SG CYS A 81 -5.824 -7.846 3.558 1.00 3.43 S ATOM 0 H CYS A 81 -3.717 -9.569 4.623 1.00 22.23 H new ATOM 0 HA CYS A 81 -4.484 -10.068 1.838 1.00 23.40 H new ATOM 0 HB2 CYS A 81 -3.504 -7.487 3.087 1.00 41.11 H new ATOM 0 HB3 CYS A 81 -4.434 -7.687 1.615 1.00 41.11 H new ATOM 0 HG CYS A 81 -6.130 -6.583 3.583 1.00 3.43 H new ATOM 1314 N HIS A 82 -2.264 -10.021 0.747 1.00 62.23 N ATOM 1315 CA HIS A 82 -0.951 -10.127 0.119 1.00 33.54 C ATOM 1316 C HIS A 82 -0.394 -8.746 -0.212 1.00 71.30 C ATOM 1317 O HIS A 82 -1.049 -7.947 -0.882 1.00 1.13 O ATOM 1318 CB HIS A 82 -1.037 -10.974 -1.151 1.00 23.01 C ATOM 1319 CG HIS A 82 0.297 -11.430 -1.657 1.00 72.35 C ATOM 1320 ND1 HIS A 82 0.994 -12.481 -1.100 1.00 63.21 N ATOM 1321 CD2 HIS A 82 1.060 -10.973 -2.678 1.00 21.05 C ATOM 1322 CE1 HIS A 82 2.130 -12.649 -1.754 1.00 74.42 C ATOM 1323 NE2 HIS A 82 2.194 -11.747 -2.717 1.00 34.13 N ATOM 0 H HIS A 82 -3.042 -10.298 0.148 1.00 62.23 H new ATOM 0 HA HIS A 82 -0.276 -10.611 0.824 1.00 33.54 H new ATOM 0 HB2 HIS A 82 -1.660 -11.847 -0.955 1.00 23.01 H new ATOM 0 HB3 HIS A 82 -1.534 -10.396 -1.930 1.00 23.01 H new ATOM 0 HD2 HIS A 82 0.821 -10.153 -3.339 1.00 21.05 H new ATOM 0 HE1 HIS A 82 2.879 -13.397 -1.538 1.00 74.42 H new ATOM 0 HE2 HIS A 82 2.961 -11.642 -3.381 1.00 34.13 H new ATOM 1331 N ILE A 83 0.817 -8.473 0.262 1.00 52.04 N ATOM 1332 CA ILE A 83 1.461 -7.189 0.015 1.00 41.11 C ATOM 1333 C ILE A 83 2.706 -7.356 -0.849 1.00 44.33 C ATOM 1334 O ILE A 83 3.383 -8.382 -0.788 1.00 0.52 O ATOM 1335 CB ILE A 83 1.853 -6.494 1.332 1.00 43.40 C ATOM 1336 CG1 ILE A 83 2.880 -7.336 2.092 1.00 11.55 C ATOM 1337 CG2 ILE A 83 0.621 -6.250 2.190 1.00 55.44 C ATOM 1338 CD1 ILE A 83 3.388 -6.674 3.354 1.00 21.03 C ATOM 0 H ILE A 83 1.371 -9.123 0.819 1.00 52.04 H new ATOM 0 HA ILE A 83 0.737 -6.568 -0.512 1.00 41.11 H new ATOM 0 HB ILE A 83 2.304 -5.530 1.096 1.00 43.40 H new ATOM 0 HG12 ILE A 83 2.432 -8.296 2.350 1.00 11.55 H new ATOM 0 HG13 ILE A 83 3.725 -7.545 1.435 1.00 11.55 H new ATOM 0 HG21 ILE A 83 0.915 -5.758 3.117 1.00 55.44 H new ATOM 0 HG22 ILE A 83 -0.080 -5.614 1.648 1.00 55.44 H new ATOM 0 HG23 ILE A 83 0.143 -7.202 2.420 1.00 55.44 H new ATOM 0 HD11 ILE A 83 4.112 -7.327 3.841 1.00 21.03 H new ATOM 0 HD12 ILE A 83 3.865 -5.727 3.101 1.00 21.03 H new ATOM 0 HD13 ILE A 83 2.553 -6.490 4.030 1.00 21.03 H new ATOM 1350 N GLU A 84 3.003 -6.339 -1.653 1.00 1.13 N ATOM 1351 CA GLU A 84 4.168 -6.373 -2.529 1.00 23.33 C ATOM 1352 C GLU A 84 4.730 -4.971 -2.742 1.00 50.42 C ATOM 1353 O GLU A 84 4.066 -3.973 -2.458 1.00 23.33 O ATOM 1354 CB GLU A 84 3.803 -6.999 -3.876 1.00 54.34 C ATOM 1355 CG GLU A 84 4.719 -8.139 -4.287 1.00 30.01 C ATOM 1356 CD GLU A 84 3.999 -9.207 -5.087 1.00 50.24 C ATOM 1357 OE1 GLU A 84 2.848 -8.960 -5.504 1.00 13.21 O ATOM 1358 OE2 GLU A 84 4.586 -10.289 -5.297 1.00 51.21 O ATOM 0 H GLU A 84 2.453 -5.482 -1.715 1.00 1.13 H new ATOM 0 HA GLU A 84 4.934 -6.983 -2.049 1.00 23.33 H new ATOM 0 HB2 GLU A 84 2.778 -7.367 -3.830 1.00 54.34 H new ATOM 0 HB3 GLU A 84 3.831 -6.227 -4.645 1.00 54.34 H new ATOM 0 HG2 GLU A 84 5.544 -7.742 -4.878 1.00 30.01 H new ATOM 0 HG3 GLU A 84 5.154 -8.590 -3.395 1.00 30.01 H new ATOM 1365 N LYS A 85 5.958 -4.902 -3.245 1.00 1.43 N ATOM 1366 CA LYS A 85 6.611 -3.623 -3.498 1.00 1.22 C ATOM 1367 C LYS A 85 6.046 -2.962 -4.751 1.00 62.13 C ATOM 1368 O LYS A 85 5.881 -3.610 -5.785 1.00 11.44 O ATOM 1369 CB LYS A 85 8.121 -3.819 -3.648 1.00 43.13 C ATOM 1370 CG LYS A 85 8.846 -4.001 -2.326 1.00 32.22 C ATOM 1371 CD LYS A 85 10.293 -4.413 -2.535 1.00 44.11 C ATOM 1372 CE LYS A 85 10.409 -5.891 -2.874 1.00 60.10 C ATOM 1373 NZ LYS A 85 11.801 -6.267 -3.248 1.00 34.33 N ATOM 0 H LYS A 85 6.521 -5.718 -3.486 1.00 1.43 H new ATOM 0 HA LYS A 85 6.419 -2.970 -2.646 1.00 1.22 H new ATOM 0 HB2 LYS A 85 8.305 -4.690 -4.276 1.00 43.13 H new ATOM 0 HB3 LYS A 85 8.541 -2.957 -4.167 1.00 43.13 H new ATOM 0 HG2 LYS A 85 8.810 -3.071 -1.759 1.00 32.22 H new ATOM 0 HG3 LYS A 85 8.334 -4.757 -1.730 1.00 32.22 H new ATOM 0 HD2 LYS A 85 10.729 -3.819 -3.338 1.00 44.11 H new ATOM 0 HD3 LYS A 85 10.867 -4.199 -1.633 1.00 44.11 H new ATOM 0 HE2 LYS A 85 10.090 -6.486 -2.018 1.00 60.10 H new ATOM 0 HE3 LYS A 85 9.735 -6.129 -3.697 1.00 60.10 H new ATOM 0 HZ1 LYS A 85 11.838 -7.282 -3.472 1.00 34.33 H new ATOM 0 HZ2 LYS A 85 12.097 -5.718 -4.080 1.00 34.33 H new ATOM 0 HZ3 LYS A 85 12.441 -6.064 -2.454 1.00 34.33 H new ATOM 1387 N ALA A 86 5.753 -1.670 -4.653 1.00 3.44 N ATOM 1388 CA ALA A 86 5.211 -0.921 -5.779 1.00 75.15 C ATOM 1389 C ALA A 86 6.321 -0.238 -6.570 1.00 52.53 C ATOM 1390 O ALA A 86 7.414 -0.007 -6.053 1.00 42.33 O ATOM 1391 CB ALA A 86 4.198 0.105 -5.293 1.00 31.11 C ATOM 0 H ALA A 86 5.882 -1.120 -3.804 1.00 3.44 H new ATOM 0 HA ALA A 86 4.708 -1.625 -6.443 1.00 75.15 H new ATOM 0 HB1 ALA A 86 3.802 0.657 -6.145 1.00 31.11 H new ATOM 0 HB2 ALA A 86 3.382 -0.404 -4.779 1.00 31.11 H new ATOM 0 HB3 ALA A 86 4.683 0.798 -4.606 1.00 31.11 H new ATOM 1397 N LYS A 87 6.034 0.084 -7.827 1.00 71.12 N ATOM 1398 CA LYS A 87 7.007 0.742 -8.691 1.00 24.25 C ATOM 1399 C LYS A 87 6.329 1.770 -9.590 1.00 4.40 C ATOM 1400 O LYS A 87 5.213 1.557 -10.062 1.00 3.35 O ATOM 1401 CB LYS A 87 7.743 -0.293 -9.545 1.00 41.32 C ATOM 1402 CG LYS A 87 6.898 -0.863 -10.671 1.00 20.41 C ATOM 1403 CD LYS A 87 7.020 -2.376 -10.748 1.00 20.11 C ATOM 1404 CE LYS A 87 5.837 -2.994 -11.477 1.00 71.20 C ATOM 1405 NZ LYS A 87 6.265 -4.056 -12.429 1.00 44.02 N ATOM 0 H LYS A 87 5.134 -0.100 -8.270 1.00 71.12 H new ATOM 0 HA LYS A 87 7.727 1.259 -8.057 1.00 24.25 H new ATOM 0 HB2 LYS A 87 8.636 0.167 -9.969 1.00 41.32 H new ATOM 0 HB3 LYS A 87 8.078 -1.109 -8.904 1.00 41.32 H new ATOM 0 HG2 LYS A 87 5.854 -0.588 -10.519 1.00 20.41 H new ATOM 0 HG3 LYS A 87 7.208 -0.423 -11.619 1.00 20.41 H new ATOM 0 HD2 LYS A 87 7.944 -2.642 -11.261 1.00 20.11 H new ATOM 0 HD3 LYS A 87 7.084 -2.789 -9.741 1.00 20.11 H new ATOM 0 HE2 LYS A 87 5.143 -3.416 -10.750 1.00 71.20 H new ATOM 0 HE3 LYS A 87 5.298 -2.217 -12.019 1.00 71.20 H new ATOM 0 HZ1 LYS A 87 5.430 -4.452 -12.906 1.00 44.02 H new ATOM 0 HZ2 LYS A 87 6.907 -3.648 -13.138 1.00 44.02 H new ATOM 0 HZ3 LYS A 87 6.757 -4.810 -11.909 1.00 44.02 H new ATOM 1419 N GLY A 88 7.013 2.887 -9.825 1.00 32.41 N ATOM 1420 CA GLY A 88 6.461 3.931 -10.668 1.00 71.44 C ATOM 1421 C GLY A 88 6.244 5.229 -9.917 1.00 41.10 C ATOM 1422 O GLY A 88 6.837 5.451 -8.861 1.00 4.31 O ATOM 0 H GLY A 88 7.939 3.087 -9.446 1.00 32.41 H new ATOM 0 HA2 GLY A 88 7.133 4.109 -11.508 1.00 71.44 H new ATOM 0 HA3 GLY A 88 5.512 3.593 -11.085 1.00 71.44 H new ATOM 1426 N THR A 89 5.392 6.092 -10.463 1.00 23.24 N ATOM 1427 CA THR A 89 5.101 7.376 -9.839 1.00 11.31 C ATOM 1428 C THR A 89 3.707 7.384 -9.221 1.00 24.22 C ATOM 1429 O THR A 89 2.943 6.432 -9.379 1.00 32.12 O ATOM 1430 CB THR A 89 5.206 8.530 -10.854 1.00 2.44 C ATOM 1431 OG1 THR A 89 4.058 8.537 -11.709 1.00 62.55 O ATOM 1432 CG2 THR A 89 6.469 8.401 -11.692 1.00 22.44 C ATOM 0 H THR A 89 4.892 5.924 -11.336 1.00 23.24 H new ATOM 0 HA THR A 89 5.844 7.522 -9.055 1.00 11.31 H new ATOM 0 HB THR A 89 5.251 9.468 -10.300 1.00 2.44 H new ATOM 0 HG1 THR A 89 4.132 9.275 -12.350 1.00 62.55 H new ATOM 0 HG21 THR A 89 6.521 9.227 -12.401 1.00 22.44 H new ATOM 0 HG22 THR A 89 7.342 8.427 -11.040 1.00 22.44 H new ATOM 0 HG23 THR A 89 6.450 7.457 -12.236 1.00 22.44 H new ATOM 1440 N ASP A 90 3.383 8.463 -8.518 1.00 2.15 N ATOM 1441 CA ASP A 90 2.080 8.595 -7.877 1.00 12.12 C ATOM 1442 C ASP A 90 0.956 8.491 -8.904 1.00 5.43 C ATOM 1443 O ASP A 90 -0.107 7.941 -8.620 1.00 11.33 O ATOM 1444 CB ASP A 90 1.986 9.928 -7.133 1.00 1.21 C ATOM 1445 CG ASP A 90 1.542 11.064 -8.034 1.00 23.13 C ATOM 1446 OD1 ASP A 90 2.345 11.490 -8.891 1.00 13.01 O ATOM 1447 OD2 ASP A 90 0.392 11.526 -7.882 1.00 44.12 O ATOM 0 H ASP A 90 4.005 9.259 -8.377 1.00 2.15 H new ATOM 0 HA ASP A 90 1.971 7.780 -7.161 1.00 12.12 H new ATOM 0 HB2 ASP A 90 1.284 9.830 -6.305 1.00 1.21 H new ATOM 0 HB3 ASP A 90 2.957 10.169 -6.701 1.00 1.21 H new ATOM 1452 N GLN A 91 1.201 9.025 -10.096 1.00 72.44 N ATOM 1453 CA GLN A 91 0.209 8.993 -11.164 1.00 54.24 C ATOM 1454 C GLN A 91 0.009 7.572 -11.681 1.00 4.03 C ATOM 1455 O GLN A 91 -1.102 7.182 -12.038 1.00 1.22 O ATOM 1456 CB GLN A 91 0.635 9.910 -12.312 1.00 55.40 C ATOM 1457 CG GLN A 91 0.396 11.385 -12.033 1.00 11.54 C ATOM 1458 CD GLN A 91 -1.067 11.706 -11.800 1.00 14.05 C ATOM 1459 OE1 GLN A 91 -1.516 11.817 -10.658 1.00 53.43 O ATOM 1460 NE2 GLN A 91 -1.821 11.856 -12.883 1.00 4.53 N ATOM 0 H GLN A 91 2.077 9.484 -10.346 1.00 72.44 H new ATOM 0 HA GLN A 91 -0.737 9.348 -10.756 1.00 54.24 H new ATOM 0 HB2 GLN A 91 1.694 9.754 -12.516 1.00 55.40 H new ATOM 0 HB3 GLN A 91 0.092 9.626 -13.213 1.00 55.40 H new ATOM 0 HG2 GLN A 91 0.973 11.683 -11.158 1.00 11.54 H new ATOM 0 HG3 GLN A 91 0.764 11.974 -12.873 1.00 11.54 H new ATOM 0 HE21 GLN A 91 -1.408 11.755 -13.810 1.00 4.53 H new ATOM 0 HE22 GLN A 91 -2.813 12.072 -12.788 1.00 4.53 H new ATOM 1469 N GLN A 92 1.093 6.804 -11.717 1.00 62.43 N ATOM 1470 CA GLN A 92 1.037 5.426 -12.191 1.00 74.23 C ATOM 1471 C GLN A 92 0.227 4.555 -11.237 1.00 21.54 C ATOM 1472 O GLN A 92 -0.556 3.709 -11.666 1.00 34.01 O ATOM 1473 CB GLN A 92 2.449 4.859 -12.345 1.00 31.30 C ATOM 1474 CG GLN A 92 3.003 4.980 -13.755 1.00 71.54 C ATOM 1475 CD GLN A 92 3.782 3.752 -14.184 1.00 20.44 C ATOM 1476 OE1 GLN A 92 3.206 2.769 -14.652 1.00 23.14 O ATOM 1477 NE2 GLN A 92 5.100 3.801 -14.026 1.00 14.34 N ATOM 0 H GLN A 92 2.020 7.112 -11.424 1.00 62.43 H new ATOM 0 HA GLN A 92 0.545 5.423 -13.163 1.00 74.23 H new ATOM 0 HB2 GLN A 92 3.116 5.376 -11.656 1.00 31.30 H new ATOM 0 HB3 GLN A 92 2.443 3.808 -12.055 1.00 31.30 H new ATOM 0 HG2 GLN A 92 2.181 5.145 -14.451 1.00 71.54 H new ATOM 0 HG3 GLN A 92 3.651 5.855 -13.813 1.00 71.54 H new ATOM 0 HE21 GLN A 92 5.536 4.636 -13.634 1.00 14.34 H new ATOM 0 HE22 GLN A 92 5.676 3.004 -14.297 1.00 14.34 H new ATOM 1486 N ASN A 93 0.423 4.767 -9.939 1.00 52.12 N ATOM 1487 CA ASN A 93 -0.289 4.000 -8.923 1.00 43.02 C ATOM 1488 C ASN A 93 -1.708 4.529 -8.737 1.00 23.21 C ATOM 1489 O ASN A 93 -2.646 3.760 -8.523 1.00 4.53 O ATOM 1490 CB ASN A 93 0.466 4.053 -7.593 1.00 71.43 C ATOM 1491 CG ASN A 93 1.653 3.109 -7.564 1.00 73.02 C ATOM 1492 OD1 ASN A 93 1.839 2.357 -6.607 1.00 73.15 O ATOM 1493 ND2 ASN A 93 2.463 3.145 -8.616 1.00 11.12 N ATOM 0 H ASN A 93 1.069 5.463 -9.566 1.00 52.12 H new ATOM 0 HA ASN A 93 -0.348 2.965 -9.259 1.00 43.02 H new ATOM 0 HB2 ASN A 93 0.811 5.071 -7.414 1.00 71.43 H new ATOM 0 HB3 ASN A 93 -0.216 3.800 -6.781 1.00 71.43 H new ATOM 0 HD21 ASN A 93 3.278 2.533 -8.653 1.00 11.12 H new ATOM 0 HD22 ASN A 93 2.270 3.784 -9.387 1.00 11.12 H new ATOM 1500 N LYS A 94 -1.858 5.846 -8.820 1.00 41.34 N ATOM 1501 CA LYS A 94 -3.162 6.480 -8.663 1.00 63.33 C ATOM 1502 C LYS A 94 -4.130 6.008 -9.744 1.00 24.02 C ATOM 1503 O LYS A 94 -5.269 5.645 -9.453 1.00 23.21 O ATOM 1504 CB LYS A 94 -3.022 8.003 -8.719 1.00 22.34 C ATOM 1505 CG LYS A 94 -4.317 8.743 -8.432 1.00 43.23 C ATOM 1506 CD LYS A 94 -4.056 10.177 -8.001 1.00 64.30 C ATOM 1507 CE LYS A 94 -4.591 11.171 -9.020 1.00 3.44 C ATOM 1508 NZ LYS A 94 -4.238 12.574 -8.664 1.00 30.24 N ATOM 0 H LYS A 94 -1.092 6.496 -8.995 1.00 41.34 H new ATOM 0 HA LYS A 94 -3.563 6.194 -7.691 1.00 63.33 H new ATOM 0 HB2 LYS A 94 -2.267 8.317 -7.999 1.00 22.34 H new ATOM 0 HB3 LYS A 94 -2.660 8.290 -9.706 1.00 22.34 H new ATOM 0 HG2 LYS A 94 -4.945 8.738 -9.323 1.00 43.23 H new ATOM 0 HG3 LYS A 94 -4.869 8.222 -7.650 1.00 43.23 H new ATOM 0 HD2 LYS A 94 -4.524 10.358 -7.034 1.00 64.30 H new ATOM 0 HD3 LYS A 94 -2.985 10.329 -7.870 1.00 64.30 H new ATOM 0 HE2 LYS A 94 -4.188 10.934 -10.005 1.00 3.44 H new ATOM 0 HE3 LYS A 94 -5.675 11.075 -9.087 1.00 3.44 H new ATOM 0 HZ1 LYS A 94 -4.620 13.221 -9.383 1.00 30.24 H new ATOM 0 HZ2 LYS A 94 -4.643 12.809 -7.736 1.00 30.24 H new ATOM 0 HZ3 LYS A 94 -3.203 12.672 -8.625 1.00 30.24 H new ATOM 1522 N GLU A 95 -3.667 6.015 -10.990 1.00 53.22 N ATOM 1523 CA GLU A 95 -4.493 5.587 -12.113 1.00 13.10 C ATOM 1524 C GLU A 95 -4.705 4.076 -12.088 1.00 25.00 C ATOM 1525 O GLU A 95 -5.773 3.581 -12.450 1.00 5.44 O ATOM 1526 CB GLU A 95 -3.848 6.001 -13.437 1.00 25.10 C ATOM 1527 CG GLU A 95 -4.032 7.472 -13.771 1.00 31.33 C ATOM 1528 CD GLU A 95 -5.086 7.700 -14.837 1.00 11.34 C ATOM 1529 OE1 GLU A 95 -6.276 7.443 -14.558 1.00 71.41 O ATOM 1530 OE2 GLU A 95 -4.722 8.136 -15.948 1.00 44.34 O ATOM 0 H GLU A 95 -2.726 6.312 -11.247 1.00 53.22 H new ATOM 0 HA GLU A 95 -5.464 6.074 -12.023 1.00 13.10 H new ATOM 0 HB2 GLU A 95 -2.782 5.777 -13.398 1.00 25.10 H new ATOM 0 HB3 GLU A 95 -4.271 5.399 -14.241 1.00 25.10 H new ATOM 0 HG2 GLU A 95 -4.311 8.014 -12.867 1.00 31.33 H new ATOM 0 HG3 GLU A 95 -3.082 7.885 -14.110 1.00 31.33 H new ATOM 1537 N TYR A 96 -3.679 3.348 -11.659 1.00 52.53 N ATOM 1538 CA TYR A 96 -3.750 1.894 -11.590 1.00 33.24 C ATOM 1539 C TYR A 96 -4.925 1.447 -10.724 1.00 65.43 C ATOM 1540 O TYR A 96 -5.708 0.582 -11.120 1.00 1.41 O ATOM 1541 CB TYR A 96 -2.445 1.325 -11.031 1.00 60.41 C ATOM 1542 CG TYR A 96 -2.398 -0.187 -11.024 1.00 5.42 C ATOM 1543 CD1 TYR A 96 -3.024 -0.916 -10.021 1.00 13.13 C ATOM 1544 CD2 TYR A 96 -1.725 -0.885 -12.019 1.00 34.20 C ATOM 1545 CE1 TYR A 96 -2.983 -2.297 -10.009 1.00 51.34 C ATOM 1546 CE2 TYR A 96 -1.680 -2.266 -12.017 1.00 13.15 C ATOM 1547 CZ TYR A 96 -2.310 -2.967 -11.010 1.00 34.14 C ATOM 1548 OH TYR A 96 -2.267 -4.342 -11.003 1.00 25.42 O ATOM 0 H TYR A 96 -2.789 3.742 -11.354 1.00 52.53 H new ATOM 0 HA TYR A 96 -3.901 1.514 -12.600 1.00 33.24 H new ATOM 0 HB2 TYR A 96 -1.611 1.703 -11.622 1.00 60.41 H new ATOM 0 HB3 TYR A 96 -2.306 1.689 -10.013 1.00 60.41 H new ATOM 0 HD1 TYR A 96 -3.552 -0.394 -9.237 1.00 13.13 H new ATOM 0 HD2 TYR A 96 -1.229 -0.339 -12.807 1.00 34.20 H new ATOM 0 HE1 TYR A 96 -3.475 -2.848 -9.221 1.00 51.34 H new ATOM 0 HE2 TYR A 96 -1.155 -2.793 -12.799 1.00 13.15 H new ATOM 0 HH TYR A 96 -1.755 -4.657 -11.777 1.00 25.42 H new ATOM 1558 N CYS A 97 -5.040 2.042 -9.542 1.00 60.53 N ATOM 1559 CA CYS A 97 -6.118 1.706 -8.619 1.00 73.53 C ATOM 1560 C CYS A 97 -7.465 2.169 -9.165 1.00 31.22 C ATOM 1561 O CYS A 97 -8.489 1.519 -8.953 1.00 63.43 O ATOM 1562 CB CYS A 97 -5.863 2.340 -7.251 1.00 61.04 C ATOM 1563 SG CYS A 97 -4.321 1.811 -6.468 1.00 74.24 S ATOM 0 H CYS A 97 -4.400 2.759 -9.200 1.00 60.53 H new ATOM 0 HA CYS A 97 -6.144 0.622 -8.509 1.00 73.53 H new ATOM 0 HB2 CYS A 97 -5.848 3.424 -7.362 1.00 61.04 H new ATOM 0 HB3 CYS A 97 -6.695 2.099 -6.590 1.00 61.04 H new ATOM 0 HG CYS A 97 -3.316 2.389 -7.056 1.00 74.24 H new ATOM 1569 N SER A 98 -7.457 3.298 -9.866 1.00 61.34 N ATOM 1570 CA SER A 98 -8.679 3.852 -10.438 1.00 22.52 C ATOM 1571 C SER A 98 -9.079 3.096 -11.701 1.00 61.43 C ATOM 1572 O SER A 98 -10.189 3.255 -12.209 1.00 60.14 O ATOM 1573 CB SER A 98 -8.491 5.336 -10.756 1.00 41.11 C ATOM 1574 OG SER A 98 -9.600 5.848 -11.474 1.00 50.13 O ATOM 0 H SER A 98 -6.618 3.847 -10.052 1.00 61.34 H new ATOM 0 HA SER A 98 -9.477 3.744 -9.703 1.00 22.52 H new ATOM 0 HB2 SER A 98 -8.363 5.896 -9.830 1.00 41.11 H new ATOM 0 HB3 SER A 98 -7.581 5.474 -11.340 1.00 41.11 H new ATOM 0 HG SER A 98 -9.456 6.799 -11.664 1.00 50.13 H new ATOM 1580 N LYS A 99 -8.166 2.272 -12.204 1.00 62.41 N ATOM 1581 CA LYS A 99 -8.421 1.489 -13.407 1.00 60.44 C ATOM 1582 C LYS A 99 -9.659 0.615 -13.235 1.00 73.34 C ATOM 1583 O LYS A 99 -10.284 0.209 -14.215 1.00 24.31 O ATOM 1584 CB LYS A 99 -7.209 0.615 -13.739 1.00 31.24 C ATOM 1585 CG LYS A 99 -7.265 -0.766 -13.109 1.00 61.42 C ATOM 1586 CD LYS A 99 -5.936 -1.492 -13.237 1.00 3.50 C ATOM 1587 CE LYS A 99 -6.133 -2.965 -13.559 1.00 13.04 C ATOM 1588 NZ LYS A 99 -5.615 -3.312 -14.911 1.00 10.21 N ATOM 0 H LYS A 99 -7.242 2.129 -11.797 1.00 62.41 H new ATOM 0 HA LYS A 99 -8.598 2.182 -14.230 1.00 60.44 H new ATOM 0 HB2 LYS A 99 -7.134 0.509 -14.821 1.00 31.24 H new ATOM 0 HB3 LYS A 99 -6.304 1.121 -13.404 1.00 31.24 H new ATOM 0 HG2 LYS A 99 -7.531 -0.676 -12.056 1.00 61.42 H new ATOM 0 HG3 LYS A 99 -8.049 -1.353 -13.587 1.00 61.42 H new ATOM 0 HD2 LYS A 99 -5.339 -1.024 -14.020 1.00 3.50 H new ATOM 0 HD3 LYS A 99 -5.376 -1.394 -12.307 1.00 3.50 H new ATOM 0 HE2 LYS A 99 -5.625 -3.572 -12.809 1.00 13.04 H new ATOM 0 HE3 LYS A 99 -7.194 -3.210 -13.503 1.00 13.04 H new ATOM 0 HZ1 LYS A 99 -5.768 -4.325 -15.092 1.00 10.21 H new ATOM 0 HZ2 LYS A 99 -6.117 -2.752 -15.629 1.00 10.21 H new ATOM 0 HZ3 LYS A 99 -4.597 -3.102 -14.957 1.00 10.21 H new ATOM 1602 N GLU A 100 -10.009 0.331 -11.985 1.00 22.24 N ATOM 1603 CA GLU A 100 -11.173 -0.494 -11.686 1.00 74.42 C ATOM 1604 C GLU A 100 -12.466 0.270 -11.959 1.00 21.43 C ATOM 1605 O GLU A 100 -13.535 -0.325 -12.091 1.00 41.43 O ATOM 1606 CB GLU A 100 -11.139 -0.956 -10.228 1.00 22.12 C ATOM 1607 CG GLU A 100 -9.777 -1.460 -9.781 1.00 62.10 C ATOM 1608 CD GLU A 100 -9.317 -2.673 -10.566 1.00 74.31 C ATOM 1609 OE1 GLU A 100 -9.139 -2.552 -11.796 1.00 71.20 O ATOM 1610 OE2 GLU A 100 -9.136 -3.744 -9.950 1.00 21.24 O ATOM 0 H GLU A 100 -9.503 0.660 -11.163 1.00 22.24 H new ATOM 0 HA GLU A 100 -11.143 -1.368 -12.337 1.00 74.42 H new ATOM 0 HB2 GLU A 100 -11.439 -0.128 -9.586 1.00 22.12 H new ATOM 0 HB3 GLU A 100 -11.874 -1.749 -10.090 1.00 22.12 H new ATOM 0 HG2 GLU A 100 -9.044 -0.661 -9.892 1.00 62.10 H new ATOM 0 HG3 GLU A 100 -9.817 -1.712 -8.721 1.00 62.10 H new ATOM 1617 N GLY A 101 -12.359 1.592 -12.040 1.00 43.54 N ATOM 1618 CA GLY A 101 -13.525 2.417 -12.296 1.00 34.12 C ATOM 1619 C GLY A 101 -14.311 2.716 -11.035 1.00 33.04 C ATOM 1620 O GLY A 101 -15.283 3.470 -11.065 1.00 4.31 O ATOM 0 H GLY A 101 -11.485 2.107 -11.933 1.00 43.54 H new ATOM 0 HA2 GLY A 101 -13.210 3.354 -12.755 1.00 34.12 H new ATOM 0 HA3 GLY A 101 -14.173 1.913 -13.013 1.00 34.12 H new ATOM 1624 N ASN A 102 -13.891 2.122 -9.922 1.00 71.45 N ATOM 1625 CA ASN A 102 -14.564 2.327 -8.645 1.00 72.11 C ATOM 1626 C ASN A 102 -13.553 2.594 -7.534 1.00 72.12 C ATOM 1627 O ASN A 102 -12.647 1.793 -7.299 1.00 11.44 O ATOM 1628 CB ASN A 102 -15.416 1.106 -8.292 1.00 12.11 C ATOM 1629 CG ASN A 102 -16.762 1.490 -7.707 1.00 24.33 C ATOM 1630 OD1 ASN A 102 -17.419 2.414 -8.186 1.00 60.53 O ATOM 1631 ND2 ASN A 102 -17.177 0.780 -6.664 1.00 73.22 N ATOM 0 H ASN A 102 -13.088 1.495 -9.879 1.00 71.45 H new ATOM 0 HA ASN A 102 -15.212 3.199 -8.740 1.00 72.11 H new ATOM 0 HB2 ASN A 102 -15.570 0.503 -9.187 1.00 12.11 H new ATOM 0 HB3 ASN A 102 -14.876 0.484 -7.578 1.00 12.11 H new ATOM 0 HD21 ASN A 102 -18.074 0.992 -6.227 1.00 73.22 H new ATOM 0 HD22 ASN A 102 -16.599 0.022 -6.300 1.00 73.22 H new ATOM 1638 N LEU A 103 -13.715 3.723 -6.854 1.00 3.50 N ATOM 1639 CA LEU A 103 -12.817 4.097 -5.767 1.00 23.25 C ATOM 1640 C LEU A 103 -13.440 3.776 -4.412 1.00 4.04 C ATOM 1641 O LEU A 103 -14.512 4.280 -4.074 1.00 44.20 O ATOM 1642 CB LEU A 103 -12.480 5.587 -5.846 1.00 23.32 C ATOM 1643 CG LEU A 103 -11.046 5.930 -6.253 1.00 32.13 C ATOM 1644 CD1 LEU A 103 -10.078 5.598 -5.128 1.00 11.12 C ATOM 1645 CD2 LEU A 103 -10.662 5.190 -7.526 1.00 5.14 C ATOM 0 H LEU A 103 -14.460 4.396 -7.036 1.00 3.50 H new ATOM 0 HA LEU A 103 -11.899 3.518 -5.871 1.00 23.25 H new ATOM 0 HB2 LEU A 103 -13.160 6.056 -6.557 1.00 23.32 H new ATOM 0 HB3 LEU A 103 -12.677 6.036 -4.873 1.00 23.32 H new ATOM 0 HG LEU A 103 -10.990 7.001 -6.448 1.00 32.13 H new ATOM 0 HD11 LEU A 103 -9.063 5.849 -5.436 1.00 11.12 H new ATOM 0 HD12 LEU A 103 -10.341 6.173 -4.240 1.00 11.12 H new ATOM 0 HD13 LEU A 103 -10.136 4.534 -4.901 1.00 11.12 H new ATOM 0 HD21 LEU A 103 -9.639 5.446 -7.801 1.00 5.14 H new ATOM 0 HD22 LEU A 103 -10.735 4.115 -7.358 1.00 5.14 H new ATOM 0 HD23 LEU A 103 -11.337 5.478 -8.332 1.00 5.14 H new ATOM 1657 N LEU A 104 -12.760 2.936 -3.638 1.00 53.41 N ATOM 1658 CA LEU A 104 -13.246 2.550 -2.318 1.00 25.22 C ATOM 1659 C LEU A 104 -12.573 3.377 -1.227 1.00 14.22 C ATOM 1660 O LEU A 104 -13.123 3.552 -0.140 1.00 10.33 O ATOM 1661 CB LEU A 104 -12.991 1.061 -2.075 1.00 4.22 C ATOM 1662 CG LEU A 104 -13.519 0.496 -0.756 1.00 55.11 C ATOM 1663 CD1 LEU A 104 -14.988 0.848 -0.575 1.00 41.22 C ATOM 1664 CD2 LEU A 104 -13.320 -1.012 -0.704 1.00 13.41 C ATOM 0 H LEU A 104 -11.872 2.510 -3.902 1.00 53.41 H new ATOM 0 HA LEU A 104 -14.319 2.740 -2.283 1.00 25.22 H new ATOM 0 HB2 LEU A 104 -13.439 0.498 -2.894 1.00 4.22 H new ATOM 0 HB3 LEU A 104 -11.916 0.885 -2.118 1.00 4.22 H new ATOM 0 HG LEU A 104 -12.955 0.945 0.061 1.00 55.11 H new ATOM 0 HD11 LEU A 104 -15.347 0.438 0.369 1.00 41.22 H new ATOM 0 HD12 LEU A 104 -15.104 1.932 -0.567 1.00 41.22 H new ATOM 0 HD13 LEU A 104 -15.567 0.427 -1.397 1.00 41.22 H new ATOM 0 HD21 LEU A 104 -13.702 -1.397 0.242 1.00 13.41 H new ATOM 0 HD22 LEU A 104 -13.858 -1.479 -1.529 1.00 13.41 H new ATOM 0 HD23 LEU A 104 -12.258 -1.242 -0.787 1.00 13.41 H new ATOM 1676 N MET A 105 -11.382 3.885 -1.526 1.00 13.32 N ATOM 1677 CA MET A 105 -10.637 4.698 -0.571 1.00 61.42 C ATOM 1678 C MET A 105 -9.921 5.845 -1.276 1.00 43.03 C ATOM 1679 O MET A 105 -9.320 5.657 -2.334 1.00 34.32 O ATOM 1680 CB MET A 105 -9.623 3.835 0.183 1.00 73.10 C ATOM 1681 CG MET A 105 -9.448 4.235 1.639 1.00 54.51 C ATOM 1682 SD MET A 105 -8.280 5.593 1.850 1.00 32.43 S ATOM 1683 CE MET A 105 -7.074 4.835 2.936 1.00 64.44 C ATOM 0 H MET A 105 -10.912 3.748 -2.421 1.00 13.32 H new ATOM 0 HA MET A 105 -11.346 5.119 0.141 1.00 61.42 H new ATOM 0 HB2 MET A 105 -9.939 2.793 0.137 1.00 73.10 H new ATOM 0 HB3 MET A 105 -8.659 3.898 -0.321 1.00 73.10 H new ATOM 0 HG2 MET A 105 -10.415 4.525 2.051 1.00 54.51 H new ATOM 0 HG3 MET A 105 -9.104 3.373 2.210 1.00 54.51 H new ATOM 0 HE1 MET A 105 -6.294 5.558 3.174 1.00 64.44 H new ATOM 0 HE2 MET A 105 -7.563 4.514 3.855 1.00 64.44 H new ATOM 0 HE3 MET A 105 -6.630 3.972 2.440 1.00 64.44 H new ATOM 1693 N GLU A 106 -9.989 7.033 -0.684 1.00 31.04 N ATOM 1694 CA GLU A 106 -9.348 8.210 -1.257 1.00 45.21 C ATOM 1695 C GLU A 106 -8.782 9.109 -0.162 1.00 5.33 C ATOM 1696 O GLU A 106 -9.524 9.812 0.525 1.00 54.13 O ATOM 1697 CB GLU A 106 -10.344 8.995 -2.113 1.00 2.54 C ATOM 1698 CG GLU A 106 -9.703 9.714 -3.288 1.00 61.12 C ATOM 1699 CD GLU A 106 -10.573 10.828 -3.836 1.00 55.00 C ATOM 1700 OE1 GLU A 106 -10.619 11.907 -3.209 1.00 41.31 O ATOM 1701 OE2 GLU A 106 -11.209 10.621 -4.891 1.00 12.14 O ATOM 0 H GLU A 106 -10.482 7.206 0.192 1.00 31.04 H new ATOM 0 HA GLU A 106 -8.525 7.873 -1.887 1.00 45.21 H new ATOM 0 HB2 GLU A 106 -11.106 8.311 -2.488 1.00 2.54 H new ATOM 0 HB3 GLU A 106 -10.853 9.726 -1.485 1.00 2.54 H new ATOM 0 HG2 GLU A 106 -8.744 10.127 -2.977 1.00 61.12 H new ATOM 0 HG3 GLU A 106 -9.498 8.995 -4.081 1.00 61.12 H new ATOM 1708 N CYS A 107 -7.463 9.081 -0.004 1.00 61.21 N ATOM 1709 CA CYS A 107 -6.796 9.892 1.009 1.00 73.14 C ATOM 1710 C CYS A 107 -5.352 10.180 0.610 1.00 15.23 C ATOM 1711 O CYS A 107 -4.875 9.704 -0.419 1.00 3.34 O ATOM 1712 CB CYS A 107 -6.833 9.184 2.364 1.00 44.02 C ATOM 1713 SG CYS A 107 -8.301 9.555 3.351 1.00 11.12 S ATOM 0 H CYS A 107 -6.834 8.506 -0.564 1.00 61.21 H new ATOM 0 HA CYS A 107 -7.327 10.840 1.089 1.00 73.14 H new ATOM 0 HB2 CYS A 107 -6.781 8.108 2.201 1.00 44.02 H new ATOM 0 HB3 CYS A 107 -5.946 9.464 2.932 1.00 44.02 H new ATOM 0 HG CYS A 107 -9.312 9.770 2.562 1.00 11.12 H new ATOM 1719 N GLY A 108 -4.663 10.965 1.433 1.00 45.04 N ATOM 1720 CA GLY A 108 -3.281 11.305 1.148 1.00 3.10 C ATOM 1721 C GLY A 108 -3.143 12.211 -0.060 1.00 34.33 C ATOM 1722 O GLY A 108 -4.125 12.497 -0.744 1.00 13.21 O ATOM 0 H GLY A 108 -5.037 11.371 2.291 1.00 45.04 H new ATOM 0 HA2 GLY A 108 -2.844 11.796 2.018 1.00 3.10 H new ATOM 0 HA3 GLY A 108 -2.713 10.390 0.979 1.00 3.10 H new