USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 878 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 Single : A 13 SER OG : rot 37:sc= 0.0951 USER MOD Single : A 16 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.52) USER MOD Single : A 17 THR OG1 : rot 69:sc= 1.36 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.0211 (180deg=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.077 K(o=-0.077,f=-2) USER MOD Single : A 44 SER OG : rot 80:sc= 0.692 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -2.17 (180deg=-3.33!) USER MOD Single : A 52 CYS SG : rot 63:sc= -1.98! USER MOD Single : A 62 THR OG1 : rot 92:sc= 0.917 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -2.14! USER MOD Single : A 78 SER OG : rot 170:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.44 K(o=1.4,f=-6.7!) USER MOD Single : A 87 CYS SG : rot 161:sc= 0.288 USER MOD Single : A 90 SER OG : rot 170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.8) USER MOD Single : A 105 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.13) USER MOD Single : A 106 ASN : amide:sc= 0.257 K(o=0.26,f=-0.56) USER MOD Single : A 108 ASN : amide:sc= -0.377 K(o=-0.38,f=-6.4!) USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= 1.19 (180deg=0.798) USER MOD Single : A 112 SER OG : rot 82:sc= 1.01 USER MOD Single : A 113 SER OG : rot 78:sc= 0.523 USER MOD Single : A 116 THR OG1 : rot -158:sc= 0.287 USER MOD Single : A 118 ASN : amide:sc= 1.06 K(o=1.1,f=-0.011) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -83:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.116 6.260 -13.184 1.00 20.40 N ATOM 196 CA SER A 13 2.146 5.873 -12.154 1.00 15.34 C ATOM 197 C SER A 13 2.656 6.199 -10.746 1.00 32.22 C ATOM 198 O SER A 13 1.896 6.656 -9.893 1.00 72.50 O ATOM 199 CB SER A 13 1.831 4.373 -12.260 1.00 65.44 C ATOM 200 OG SER A 13 1.381 4.025 -13.562 1.00 70.14 O ATOM 0 HA SER A 13 1.236 6.449 -12.324 1.00 15.34 H new ATOM 0 HB2 SER A 13 2.722 3.795 -12.016 1.00 65.44 H new ATOM 0 HB3 SER A 13 1.068 4.108 -11.528 1.00 65.44 H new ATOM 0 HG SER A 13 1.876 4.545 -14.229 1.00 70.14 H new ATOM 206 N ALA A 14 3.947 5.982 -10.515 1.00 15.51 N ATOM 207 CA ALA A 14 4.547 6.192 -9.193 1.00 74.04 C ATOM 208 C ALA A 14 4.407 7.647 -8.704 1.00 44.32 C ATOM 209 O ALA A 14 3.967 7.883 -7.579 1.00 42.02 O ATOM 210 CB ALA A 14 6.011 5.771 -9.213 1.00 3.51 C ATOM 0 H ALA A 14 4.603 5.660 -11.226 1.00 15.51 H new ATOM 0 HA ALA A 14 4.000 5.570 -8.485 1.00 74.04 H new ATOM 0 HB1 ALA A 14 6.449 5.930 -8.228 1.00 3.51 H new ATOM 0 HB2 ALA A 14 6.083 4.716 -9.476 1.00 3.51 H new ATOM 0 HB3 ALA A 14 6.551 6.366 -9.950 1.00 3.51 H new ATOM 216 N GLU A 15 4.769 8.616 -9.552 1.00 40.14 N ATOM 217 CA GLU A 15 4.709 10.040 -9.173 1.00 73.44 C ATOM 218 C GLU A 15 3.301 10.445 -8.696 1.00 22.44 C ATOM 219 O GLU A 15 3.147 11.093 -7.654 1.00 3.44 O ATOM 220 CB GLU A 15 5.138 10.939 -10.347 1.00 3.24 C ATOM 221 CG GLU A 15 6.592 10.755 -10.782 1.00 1.43 C ATOM 222 CD GLU A 15 7.036 11.777 -11.823 1.00 71.30 C ATOM 223 OE1 GLU A 15 6.745 11.581 -13.022 1.00 35.04 O ATOM 224 OE2 GLU A 15 7.676 12.784 -11.446 1.00 12.30 O ATOM 0 H GLU A 15 5.105 8.446 -10.500 1.00 40.14 H new ATOM 0 HA GLU A 15 5.403 10.179 -8.344 1.00 73.44 H new ATOM 0 HB2 GLU A 15 4.488 10.739 -11.199 1.00 3.24 H new ATOM 0 HB3 GLU A 15 4.984 11.981 -10.067 1.00 3.24 H new ATOM 0 HG2 GLU A 15 7.239 10.830 -9.908 1.00 1.43 H new ATOM 0 HG3 GLU A 15 6.720 9.752 -11.188 1.00 1.43 H new ATOM 231 N GLN A 16 2.279 10.061 -9.462 1.00 45.21 N ATOM 232 CA GLN A 16 0.883 10.355 -9.101 1.00 64.01 C ATOM 233 C GLN A 16 0.399 9.509 -7.908 1.00 24.22 C ATOM 234 O GLN A 16 -0.435 9.959 -7.119 1.00 61.54 O ATOM 235 CB GLN A 16 -0.041 10.159 -10.319 1.00 40.24 C ATOM 236 CG GLN A 16 0.216 8.873 -11.098 1.00 5.42 C ATOM 237 CD GLN A 16 -0.696 8.709 -12.305 1.00 5.52 C ATOM 238 OE1 GLN A 16 -1.852 9.116 -12.292 1.00 11.23 O ATOM 239 NE2 GLN A 16 -0.173 8.136 -13.371 1.00 21.11 N ATOM 0 H GLN A 16 2.387 9.546 -10.336 1.00 45.21 H new ATOM 0 HA GLN A 16 0.841 11.399 -8.790 1.00 64.01 H new ATOM 0 HB2 GLN A 16 -1.077 10.164 -9.980 1.00 40.24 H new ATOM 0 HB3 GLN A 16 0.078 11.008 -10.992 1.00 40.24 H new ATOM 0 HG2 GLN A 16 1.254 8.859 -11.431 1.00 5.42 H new ATOM 0 HG3 GLN A 16 0.083 8.020 -10.432 1.00 5.42 H new ATOM 0 HE21 GLN A 16 0.792 7.807 -13.351 1.00 21.11 H new ATOM 0 HE22 GLN A 16 -0.734 8.021 -14.215 1.00 21.11 H new ATOM 248 N THR A 17 0.927 8.289 -7.770 1.00 15.22 N ATOM 249 CA THR A 17 0.582 7.425 -6.625 1.00 70.12 C ATOM 250 C THR A 17 1.040 8.057 -5.302 1.00 60.32 C ATOM 251 O THR A 17 0.344 7.974 -4.289 1.00 20.34 O ATOM 252 CB THR A 17 1.195 6.006 -6.757 1.00 54.43 C ATOM 253 OG1 THR A 17 0.654 5.340 -7.909 1.00 42.20 O ATOM 254 CG2 THR A 17 0.921 5.159 -5.516 1.00 65.01 C ATOM 0 H THR A 17 1.589 7.876 -8.427 1.00 15.22 H new ATOM 0 HA THR A 17 -0.504 7.329 -6.625 1.00 70.12 H new ATOM 0 HB THR A 17 2.273 6.123 -6.865 1.00 54.43 H new ATOM 0 HG1 THR A 17 0.983 5.775 -8.723 1.00 42.20 H new ATOM 0 HG21 THR A 17 1.365 4.172 -5.644 1.00 65.01 H new ATOM 0 HG22 THR A 17 1.357 5.643 -4.642 1.00 65.01 H new ATOM 0 HG23 THR A 17 -0.155 5.057 -5.375 1.00 65.01 H new ATOM 262 N VAL A 18 2.212 8.700 -5.321 1.00 12.12 N ATOM 263 CA VAL A 18 2.706 9.446 -4.154 1.00 40.12 C ATOM 264 C VAL A 18 1.652 10.459 -3.679 1.00 12.31 C ATOM 265 O VAL A 18 1.277 10.485 -2.505 1.00 64.32 O ATOM 266 CB VAL A 18 4.028 10.203 -4.470 1.00 41.01 C ATOM 267 CG1 VAL A 18 4.523 10.978 -3.247 1.00 30.14 C ATOM 268 CG2 VAL A 18 5.106 9.242 -4.972 1.00 30.33 C ATOM 0 H VAL A 18 2.836 8.720 -6.128 1.00 12.12 H new ATOM 0 HA VAL A 18 2.902 8.717 -3.368 1.00 40.12 H new ATOM 0 HB VAL A 18 3.817 10.920 -5.264 1.00 41.01 H new ATOM 0 HG11 VAL A 18 5.448 11.498 -3.496 1.00 30.14 H new ATOM 0 HG12 VAL A 18 3.768 11.705 -2.947 1.00 30.14 H new ATOM 0 HG13 VAL A 18 4.706 10.284 -2.426 1.00 30.14 H new ATOM 0 HG21 VAL A 18 6.019 9.798 -5.185 1.00 30.33 H new ATOM 0 HG22 VAL A 18 5.308 8.491 -4.208 1.00 30.33 H new ATOM 0 HG23 VAL A 18 4.760 8.750 -5.881 1.00 30.33 H new ATOM 278 N THR A 19 1.166 11.275 -4.614 1.00 71.12 N ATOM 279 CA THR A 19 0.114 12.257 -4.326 1.00 22.24 C ATOM 280 C THR A 19 -1.148 11.575 -3.783 1.00 15.12 C ATOM 281 O THR A 19 -1.749 12.035 -2.814 1.00 53.03 O ATOM 282 CB THR A 19 -0.276 13.063 -5.588 1.00 62.31 C ATOM 283 OG1 THR A 19 0.898 13.588 -6.223 1.00 74.10 O ATOM 284 CG2 THR A 19 -1.220 14.210 -5.239 1.00 40.01 C ATOM 0 H THR A 19 1.484 11.277 -5.583 1.00 71.12 H new ATOM 0 HA THR A 19 0.523 12.934 -3.575 1.00 22.24 H new ATOM 0 HB THR A 19 -0.789 12.386 -6.271 1.00 62.31 H new ATOM 0 HG1 THR A 19 0.639 14.095 -7.021 1.00 74.10 H new ATOM 0 HG21 THR A 19 -1.477 14.758 -6.145 1.00 40.01 H new ATOM 0 HG22 THR A 19 -2.128 13.810 -4.788 1.00 40.01 H new ATOM 0 HG23 THR A 19 -0.731 14.882 -4.534 1.00 40.01 H new ATOM 292 N TRP A 20 -1.535 10.470 -4.418 1.00 44.52 N ATOM 293 CA TRP A 20 -2.729 9.712 -4.026 1.00 33.31 C ATOM 294 C TRP A 20 -2.658 9.246 -2.558 1.00 35.43 C ATOM 295 O TRP A 20 -3.645 9.317 -1.824 1.00 31.33 O ATOM 296 CB TRP A 20 -2.911 8.512 -4.967 1.00 32.51 C ATOM 297 CG TRP A 20 -4.118 7.669 -4.662 1.00 54.12 C ATOM 298 CD1 TRP A 20 -5.418 8.085 -4.576 1.00 22.02 C ATOM 299 CD2 TRP A 20 -4.132 6.258 -4.418 1.00 61.50 C ATOM 300 NE1 TRP A 20 -6.235 7.018 -4.291 1.00 43.14 N ATOM 301 CE2 TRP A 20 -5.468 5.888 -4.185 1.00 62.14 C ATOM 302 CE3 TRP A 20 -3.139 5.273 -4.370 1.00 43.32 C ATOM 303 CZ2 TRP A 20 -5.839 4.575 -3.913 1.00 62.24 C ATOM 304 CZ3 TRP A 20 -3.509 3.969 -4.099 1.00 51.20 C ATOM 305 CH2 TRP A 20 -4.849 3.630 -3.873 1.00 51.22 C ATOM 0 H TRP A 20 -1.035 10.074 -5.214 1.00 44.52 H new ATOM 0 HA TRP A 20 -3.592 10.372 -4.110 1.00 33.31 H new ATOM 0 HB2 TRP A 20 -2.985 8.876 -5.992 1.00 32.51 H new ATOM 0 HB3 TRP A 20 -2.021 7.885 -4.915 1.00 32.51 H new ATOM 0 HD1 TRP A 20 -5.753 9.103 -4.712 1.00 22.02 H new ATOM 0 HE1 TRP A 20 -7.248 7.060 -4.177 1.00 43.14 H new ATOM 0 HE3 TRP A 20 -2.103 5.527 -4.541 1.00 43.32 H new ATOM 0 HZ2 TRP A 20 -6.872 4.310 -3.739 1.00 62.24 H new ATOM 0 HZ3 TRP A 20 -2.753 3.199 -4.061 1.00 51.20 H new ATOM 0 HH2 TRP A 20 -5.107 2.602 -3.663 1.00 51.22 H new ATOM 316 N LEU A 21 -1.486 8.788 -2.129 1.00 34.20 N ATOM 317 CA LEU A 21 -1.290 8.353 -0.740 1.00 74.23 C ATOM 318 C LEU A 21 -1.335 9.544 0.237 1.00 12.33 C ATOM 319 O LEU A 21 -1.915 9.453 1.325 1.00 51.34 O ATOM 320 CB LEU A 21 0.044 7.608 -0.602 1.00 55.11 C ATOM 321 CG LEU A 21 0.174 6.324 -1.443 1.00 64.52 C ATOM 322 CD1 LEU A 21 1.530 5.661 -1.213 1.00 71.32 C ATOM 323 CD2 LEU A 21 -0.964 5.354 -1.126 1.00 62.35 C ATOM 0 H LEU A 21 -0.657 8.707 -2.717 1.00 34.20 H new ATOM 0 HA LEU A 21 -2.107 7.679 -0.484 1.00 74.23 H new ATOM 0 HB2 LEU A 21 0.850 8.287 -0.880 1.00 55.11 H new ATOM 0 HB3 LEU A 21 0.190 7.351 0.447 1.00 55.11 H new ATOM 0 HG LEU A 21 0.105 6.598 -2.496 1.00 64.52 H new ATOM 0 HD11 LEU A 21 1.600 4.756 -1.817 1.00 71.32 H new ATOM 0 HD12 LEU A 21 2.325 6.350 -1.498 1.00 71.32 H new ATOM 0 HD13 LEU A 21 1.635 5.403 -0.159 1.00 71.32 H new ATOM 0 HD21 LEU A 21 -0.854 4.454 -1.730 1.00 62.35 H new ATOM 0 HD22 LEU A 21 -0.932 5.088 -0.069 1.00 62.35 H new ATOM 0 HD23 LEU A 21 -1.919 5.828 -1.352 1.00 62.35 H new ATOM 335 N ILE A 22 -0.726 10.661 -0.155 1.00 71.21 N ATOM 336 CA ILE A 22 -0.681 11.857 0.698 1.00 71.04 C ATOM 337 C ILE A 22 -2.063 12.534 0.820 1.00 75.33 C ATOM 338 O ILE A 22 -2.454 12.966 1.905 1.00 53.41 O ATOM 339 CB ILE A 22 0.363 12.883 0.179 1.00 71.44 C ATOM 340 CG1 ILE A 22 1.759 12.236 0.105 1.00 74.21 C ATOM 341 CG2 ILE A 22 0.394 14.128 1.071 1.00 42.35 C ATOM 342 CD1 ILE A 22 2.838 13.151 -0.445 1.00 41.24 C ATOM 0 H ILE A 22 -0.257 10.768 -1.054 1.00 71.21 H new ATOM 0 HA ILE A 22 -0.380 11.518 1.689 1.00 71.04 H new ATOM 0 HB ILE A 22 0.069 13.192 -0.824 1.00 71.44 H new ATOM 0 HG12 ILE A 22 2.049 11.909 1.103 1.00 74.21 H new ATOM 0 HG13 ILE A 22 1.702 11.344 -0.519 1.00 74.21 H new ATOM 0 HG21 ILE A 22 1.133 14.832 0.688 1.00 42.35 H new ATOM 0 HG22 ILE A 22 -0.589 14.599 1.073 1.00 42.35 H new ATOM 0 HG23 ILE A 22 0.661 13.840 2.088 1.00 42.35 H new ATOM 0 HD11 ILE A 22 3.790 12.620 -0.464 1.00 41.24 H new ATOM 0 HD12 ILE A 22 2.573 13.459 -1.457 1.00 41.24 H new ATOM 0 HD13 ILE A 22 2.927 14.032 0.191 1.00 41.24 H new ATOM 354 N THR A 23 -2.809 12.614 -0.286 1.00 71.04 N ATOM 355 CA THR A 23 -4.140 13.251 -0.271 1.00 1.40 C ATOM 356 C THR A 23 -5.136 12.479 0.608 1.00 3.11 C ATOM 357 O THR A 23 -6.072 13.063 1.151 1.00 70.35 O ATOM 358 CB THR A 23 -4.738 13.409 -1.695 1.00 42.33 C ATOM 359 OG1 THR A 23 -6.006 14.086 -1.635 1.00 51.31 O ATOM 360 CG2 THR A 23 -4.927 12.060 -2.376 1.00 62.51 C ATOM 0 H THR A 23 -2.523 12.252 -1.196 1.00 71.04 H new ATOM 0 HA THR A 23 -3.983 14.243 0.152 1.00 1.40 H new ATOM 0 HB THR A 23 -4.031 13.998 -2.278 1.00 42.33 H new ATOM 0 HG1 THR A 23 -6.370 14.180 -2.540 1.00 51.31 H new ATOM 0 HG21 THR A 23 -5.347 12.210 -3.370 1.00 62.51 H new ATOM 0 HG22 THR A 23 -3.964 11.557 -2.461 1.00 62.51 H new ATOM 0 HG23 THR A 23 -5.606 11.446 -1.784 1.00 62.51 H new ATOM 368 N LEU A 24 -4.936 11.167 0.740 1.00 24.21 N ATOM 369 CA LEU A 24 -5.761 10.339 1.634 1.00 11.23 C ATOM 370 C LEU A 24 -5.277 10.436 3.095 1.00 72.23 C ATOM 371 O LEU A 24 -5.952 9.978 4.019 1.00 42.43 O ATOM 372 CB LEU A 24 -5.744 8.877 1.164 1.00 21.20 C ATOM 373 CG LEU A 24 -6.404 8.616 -0.202 1.00 31.33 C ATOM 374 CD1 LEU A 24 -6.154 7.183 -0.656 1.00 50.45 C ATOM 375 CD2 LEU A 24 -7.902 8.904 -0.146 1.00 71.42 C ATOM 0 H LEU A 24 -4.211 10.651 0.241 1.00 24.21 H new ATOM 0 HA LEU A 24 -6.783 10.716 1.595 1.00 11.23 H new ATOM 0 HB2 LEU A 24 -4.709 8.539 1.119 1.00 21.20 H new ATOM 0 HB3 LEU A 24 -6.246 8.266 1.914 1.00 21.20 H new ATOM 0 HG LEU A 24 -5.953 9.292 -0.929 1.00 31.33 H new ATOM 0 HD11 LEU A 24 -6.629 7.020 -1.623 1.00 50.45 H new ATOM 0 HD12 LEU A 24 -5.081 7.011 -0.745 1.00 50.45 H new ATOM 0 HD13 LEU A 24 -6.573 6.491 0.075 1.00 50.45 H new ATOM 0 HD21 LEU A 24 -8.346 8.712 -1.123 1.00 71.42 H new ATOM 0 HD22 LEU A 24 -8.369 8.259 0.598 1.00 71.42 H new ATOM 0 HD23 LEU A 24 -8.062 9.947 0.127 1.00 71.42 H new ATOM 387 N GLY A 25 -4.099 11.030 3.289 1.00 52.02 N ATOM 388 CA GLY A 25 -3.553 11.226 4.631 1.00 35.15 C ATOM 389 C GLY A 25 -2.816 10.008 5.183 1.00 12.22 C ATOM 390 O GLY A 25 -2.367 10.018 6.332 1.00 22.34 O ATOM 0 H GLY A 25 -3.507 11.382 2.537 1.00 52.02 H new ATOM 0 HA2 GLY A 25 -2.870 12.075 4.614 1.00 35.15 H new ATOM 0 HA3 GLY A 25 -4.366 11.485 5.309 1.00 35.15 H new ATOM 394 N VAL A 26 -2.670 8.965 4.367 1.00 60.42 N ATOM 395 CA VAL A 26 -2.017 7.725 4.808 1.00 51.23 C ATOM 396 C VAL A 26 -0.487 7.845 4.759 1.00 50.04 C ATOM 397 O VAL A 26 0.229 7.149 5.484 1.00 43.23 O ATOM 398 CB VAL A 26 -2.475 6.514 3.958 1.00 1.03 C ATOM 399 CG1 VAL A 26 -3.998 6.453 3.907 1.00 75.12 C ATOM 400 CG2 VAL A 26 -1.888 6.558 2.547 1.00 42.31 C ATOM 0 H VAL A 26 -2.993 8.950 3.399 1.00 60.42 H new ATOM 0 HA VAL A 26 -2.318 7.560 5.843 1.00 51.23 H new ATOM 0 HB VAL A 26 -2.100 5.609 4.437 1.00 1.03 H new ATOM 0 HG11 VAL A 26 -4.308 5.598 3.307 1.00 75.12 H new ATOM 0 HG12 VAL A 26 -4.392 6.349 4.918 1.00 75.12 H new ATOM 0 HG13 VAL A 26 -4.384 7.369 3.460 1.00 75.12 H new ATOM 0 HG21 VAL A 26 -2.233 5.692 1.982 1.00 42.31 H new ATOM 0 HG22 VAL A 26 -2.212 7.470 2.046 1.00 42.31 H new ATOM 0 HG23 VAL A 26 -0.800 6.544 2.605 1.00 42.31 H new ATOM 410 N LEU A 27 -0.001 8.732 3.896 1.00 32.33 N ATOM 411 CA LEU A 27 1.432 9.009 3.774 1.00 23.21 C ATOM 412 C LEU A 27 1.710 10.499 4.020 1.00 25.54 C ATOM 413 O LEU A 27 0.982 11.362 3.531 1.00 74.44 O ATOM 414 CB LEU A 27 1.930 8.592 2.380 1.00 23.44 C ATOM 415 CG LEU A 27 3.441 8.756 2.133 1.00 5.22 C ATOM 416 CD1 LEU A 27 4.248 7.926 3.130 1.00 62.52 C ATOM 417 CD2 LEU A 27 3.794 8.372 0.696 1.00 40.11 C ATOM 0 H LEU A 27 -0.584 9.279 3.262 1.00 32.33 H new ATOM 0 HA LEU A 27 1.969 8.431 4.526 1.00 23.21 H new ATOM 0 HB2 LEU A 27 1.666 7.547 2.218 1.00 23.44 H new ATOM 0 HB3 LEU A 27 1.393 9.176 1.633 1.00 23.44 H new ATOM 0 HG LEU A 27 3.700 9.805 2.281 1.00 5.22 H new ATOM 0 HD11 LEU A 27 5.312 8.058 2.936 1.00 62.52 H new ATOM 0 HD12 LEU A 27 4.021 8.254 4.144 1.00 62.52 H new ATOM 0 HD13 LEU A 27 3.987 6.873 3.022 1.00 62.52 H new ATOM 0 HD21 LEU A 27 4.866 8.494 0.540 1.00 40.11 H new ATOM 0 HD22 LEU A 27 3.517 7.333 0.519 1.00 40.11 H new ATOM 0 HD23 LEU A 27 3.251 9.015 0.004 1.00 40.11 H new ATOM 429 N GLU A 28 2.756 10.788 4.783 1.00 2.31 N ATOM 430 CA GLU A 28 3.101 12.172 5.131 1.00 54.30 C ATOM 431 C GLU A 28 3.840 12.895 3.988 1.00 42.30 C ATOM 432 O GLU A 28 4.286 12.277 3.021 1.00 4.33 O ATOM 433 CB GLU A 28 3.947 12.184 6.412 1.00 20.21 C ATOM 434 CG GLU A 28 5.212 11.338 6.330 1.00 71.12 C ATOM 435 CD GLU A 28 5.922 11.219 7.668 1.00 1.43 C ATOM 436 OE1 GLU A 28 5.430 10.470 8.538 1.00 71.12 O ATOM 437 OE2 GLU A 28 6.975 11.870 7.857 1.00 62.12 O ATOM 0 H GLU A 28 3.384 10.087 5.176 1.00 2.31 H new ATOM 0 HA GLU A 28 2.172 12.716 5.299 1.00 54.30 H new ATOM 0 HB2 GLU A 28 4.225 13.213 6.641 1.00 20.21 H new ATOM 0 HB3 GLU A 28 3.337 11.826 7.241 1.00 20.21 H new ATOM 0 HG2 GLU A 28 4.956 10.342 5.969 1.00 71.12 H new ATOM 0 HG3 GLU A 28 5.892 11.777 5.600 1.00 71.12 H new ATOM 444 N SER A 29 3.964 14.217 4.114 1.00 33.31 N ATOM 445 CA SER A 29 4.612 15.044 3.084 1.00 64.10 C ATOM 446 C SER A 29 6.143 14.889 3.121 1.00 35.22 C ATOM 447 O SER A 29 6.748 14.849 4.197 1.00 44.53 O ATOM 448 CB SER A 29 4.236 16.523 3.272 1.00 63.14 C ATOM 449 OG SER A 29 4.680 17.017 4.530 1.00 24.41 O ATOM 0 H SER A 29 3.625 14.743 4.919 1.00 33.31 H new ATOM 0 HA SER A 29 4.257 14.701 2.112 1.00 64.10 H new ATOM 0 HB2 SER A 29 4.676 17.116 2.471 1.00 63.14 H new ATOM 0 HB3 SER A 29 3.155 16.637 3.196 1.00 63.14 H new ATOM 0 HG SER A 29 4.428 17.960 4.619 1.00 24.41 H new ATOM 455 N PRO A 30 6.795 14.801 1.944 1.00 50.45 N ATOM 456 CA PRO A 30 8.258 14.643 1.854 1.00 51.43 C ATOM 457 C PRO A 30 9.030 15.955 2.105 1.00 75.04 C ATOM 458 O PRO A 30 8.473 17.051 2.032 1.00 73.24 O ATOM 459 CB PRO A 30 8.458 14.164 0.412 1.00 14.32 C ATOM 460 CG PRO A 30 7.331 14.784 -0.345 1.00 64.35 C ATOM 461 CD PRO A 30 6.161 14.837 0.609 1.00 44.33 C ATOM 0 HA PRO A 30 8.641 13.960 2.613 1.00 51.43 H new ATOM 0 HB2 PRO A 30 9.423 14.482 0.018 1.00 14.32 H new ATOM 0 HB3 PRO A 30 8.429 13.076 0.347 1.00 14.32 H new ATOM 0 HG2 PRO A 30 7.597 15.783 -0.690 1.00 64.35 H new ATOM 0 HG3 PRO A 30 7.086 14.196 -1.229 1.00 64.35 H new ATOM 0 HD2 PRO A 30 5.572 15.743 0.470 1.00 44.33 H new ATOM 0 HD3 PRO A 30 5.487 13.993 0.463 1.00 44.33 H new ATOM 469 N LYS A 31 10.323 15.827 2.399 1.00 23.44 N ATOM 470 CA LYS A 31 11.194 16.982 2.647 1.00 2.02 C ATOM 471 C LYS A 31 11.475 17.765 1.354 1.00 4.33 C ATOM 472 O LYS A 31 11.615 18.990 1.370 1.00 13.14 O ATOM 473 CB LYS A 31 12.515 16.501 3.264 1.00 44.14 C ATOM 474 CG LYS A 31 13.508 17.618 3.595 1.00 13.10 C ATOM 475 CD LYS A 31 13.012 18.530 4.718 1.00 30.34 C ATOM 476 CE LYS A 31 12.730 17.756 6.004 1.00 73.11 C ATOM 477 NZ LYS A 31 13.891 16.932 6.436 1.00 63.41 N ATOM 0 H LYS A 31 10.797 14.927 2.472 1.00 23.44 H new ATOM 0 HA LYS A 31 10.683 17.653 3.338 1.00 2.02 H new ATOM 0 HB2 LYS A 31 12.294 15.947 4.176 1.00 44.14 H new ATOM 0 HB3 LYS A 31 12.990 15.803 2.574 1.00 44.14 H new ATOM 0 HG2 LYS A 31 14.462 17.177 3.884 1.00 13.10 H new ATOM 0 HG3 LYS A 31 13.690 18.214 2.701 1.00 13.10 H new ATOM 0 HD2 LYS A 31 13.758 19.300 4.915 1.00 30.34 H new ATOM 0 HD3 LYS A 31 12.104 19.040 4.396 1.00 30.34 H new ATOM 0 HE2 LYS A 31 12.470 18.457 6.797 1.00 73.11 H new ATOM 0 HE3 LYS A 31 11.865 17.110 5.854 1.00 73.11 H new ATOM 0 HZ1 LYS A 31 13.717 16.562 7.392 1.00 63.41 H new ATOM 0 HZ2 LYS A 31 14.019 16.139 5.776 1.00 63.41 H new ATOM 0 HZ3 LYS A 31 14.750 17.519 6.443 1.00 63.41 H new ATOM 491 N LYS A 32 11.560 17.050 0.236 1.00 13.33 N ATOM 492 CA LYS A 32 11.846 17.671 -1.061 1.00 53.32 C ATOM 493 C LYS A 32 11.080 16.982 -2.200 1.00 60.24 C ATOM 494 O LYS A 32 10.515 15.899 -2.022 1.00 0.23 O ATOM 495 CB LYS A 32 13.354 17.630 -1.353 1.00 63.32 C ATOM 496 CG LYS A 32 13.937 16.222 -1.409 1.00 3.54 C ATOM 497 CD LYS A 32 15.416 16.236 -1.791 1.00 4.24 C ATOM 498 CE LYS A 32 16.003 14.828 -1.841 1.00 60.42 C ATOM 499 NZ LYS A 32 17.445 14.837 -2.212 1.00 64.32 N ATOM 0 H LYS A 32 11.435 16.038 0.198 1.00 13.33 H new ATOM 0 HA LYS A 32 11.514 18.708 -1.007 1.00 53.32 H new ATOM 0 HB2 LYS A 32 13.543 18.129 -2.304 1.00 63.32 H new ATOM 0 HB3 LYS A 32 13.878 18.199 -0.585 1.00 63.32 H new ATOM 0 HG2 LYS A 32 13.817 15.740 -0.439 1.00 3.54 H new ATOM 0 HG3 LYS A 32 13.380 15.626 -2.132 1.00 3.54 H new ATOM 0 HD2 LYS A 32 15.536 16.714 -2.763 1.00 4.24 H new ATOM 0 HD3 LYS A 32 15.972 16.836 -1.070 1.00 4.24 H new ATOM 0 HE2 LYS A 32 15.882 14.350 -0.869 1.00 60.42 H new ATOM 0 HE3 LYS A 32 15.447 14.229 -2.562 1.00 60.42 H new ATOM 0 HZ1 LYS A 32 17.804 13.861 -2.234 1.00 64.32 H new ATOM 0 HZ2 LYS A 32 17.559 15.269 -3.151 1.00 64.32 H new ATOM 0 HZ3 LYS A 32 17.981 15.387 -1.510 1.00 64.32 H new ATOM 513 N THR A 33 11.075 17.624 -3.369 1.00 62.21 N ATOM 514 CA THR A 33 10.431 17.071 -4.567 1.00 32.33 C ATOM 515 C THR A 33 11.042 15.714 -4.940 1.00 54.10 C ATOM 516 O THR A 33 12.265 15.558 -4.976 1.00 50.20 O ATOM 517 CB THR A 33 10.558 18.041 -5.771 1.00 42.42 C ATOM 518 OG1 THR A 33 9.979 19.317 -5.443 1.00 73.43 O ATOM 519 CG2 THR A 33 9.870 17.479 -7.014 1.00 31.12 C ATOM 0 H THR A 33 11.512 18.534 -3.515 1.00 62.21 H new ATOM 0 HA THR A 33 9.375 16.936 -4.333 1.00 32.33 H new ATOM 0 HB THR A 33 11.619 18.162 -5.987 1.00 42.42 H new ATOM 0 HG1 THR A 33 10.066 19.922 -6.209 1.00 73.43 H new ATOM 0 HG21 THR A 33 9.978 18.183 -7.839 1.00 31.12 H new ATOM 0 HG22 THR A 33 10.329 16.529 -7.286 1.00 31.12 H new ATOM 0 HG23 THR A 33 8.812 17.324 -6.805 1.00 31.12 H new ATOM 527 N ILE A 34 10.191 14.733 -5.213 1.00 2.43 N ATOM 528 CA ILE A 34 10.647 13.364 -5.458 1.00 41.43 C ATOM 529 C ILE A 34 10.813 13.059 -6.960 1.00 41.04 C ATOM 530 O ILE A 34 9.831 12.978 -7.703 1.00 72.54 O ATOM 531 CB ILE A 34 9.668 12.341 -4.830 1.00 62.23 C ATOM 532 CG1 ILE A 34 9.401 12.692 -3.356 1.00 1.51 C ATOM 533 CG2 ILE A 34 10.226 10.923 -4.951 1.00 45.41 C ATOM 534 CD1 ILE A 34 8.394 11.782 -2.683 1.00 61.25 C ATOM 0 H ILE A 34 9.180 14.857 -5.271 1.00 2.43 H new ATOM 0 HA ILE A 34 11.626 13.274 -4.988 1.00 41.43 H new ATOM 0 HB ILE A 34 8.724 12.386 -5.373 1.00 62.23 H new ATOM 0 HG12 ILE A 34 10.341 12.648 -2.806 1.00 1.51 H new ATOM 0 HG13 ILE A 34 9.044 13.720 -3.296 1.00 1.51 H new ATOM 0 HG21 ILE A 34 9.526 10.217 -4.505 1.00 45.41 H new ATOM 0 HG22 ILE A 34 10.369 10.677 -6.003 1.00 45.41 H new ATOM 0 HG23 ILE A 34 11.182 10.863 -4.431 1.00 45.41 H new ATOM 0 HD11 ILE A 34 8.259 12.092 -1.647 1.00 61.25 H new ATOM 0 HD12 ILE A 34 7.440 11.843 -3.208 1.00 61.25 H new ATOM 0 HD13 ILE A 34 8.757 10.755 -2.710 1.00 61.25 H new ATOM 546 N SER A 35 12.065 12.906 -7.398 1.00 51.14 N ATOM 547 CA SER A 35 12.371 12.501 -8.784 1.00 0.41 C ATOM 548 C SER A 35 12.380 10.975 -8.923 1.00 13.02 C ATOM 549 O SER A 35 12.099 10.435 -9.993 1.00 65.14 O ATOM 550 CB SER A 35 13.728 13.066 -9.236 1.00 73.14 C ATOM 551 OG SER A 35 13.715 14.486 -9.276 1.00 55.22 O ATOM 0 H SER A 35 12.889 13.055 -6.816 1.00 51.14 H new ATOM 0 HA SER A 35 11.587 12.909 -9.422 1.00 0.41 H new ATOM 0 HB2 SER A 35 14.509 12.728 -8.555 1.00 73.14 H new ATOM 0 HB3 SER A 35 13.975 12.676 -10.223 1.00 73.14 H new ATOM 0 HG SER A 35 14.592 14.813 -9.565 1.00 55.22 H new ATOM 557 N ASP A 36 12.725 10.282 -7.837 1.00 23.03 N ATOM 558 CA ASP A 36 12.666 8.816 -7.793 1.00 63.24 C ATOM 559 C ASP A 36 11.539 8.345 -6.853 1.00 53.35 C ATOM 560 O ASP A 36 11.774 8.060 -5.678 1.00 4.10 O ATOM 561 CB ASP A 36 14.013 8.241 -7.338 1.00 3.42 C ATOM 562 CG ASP A 36 15.136 8.551 -8.312 1.00 50.22 C ATOM 563 OD1 ASP A 36 15.294 7.803 -9.300 1.00 32.31 O ATOM 564 OD2 ASP A 36 15.871 9.538 -8.092 1.00 75.12 O ATOM 0 H ASP A 36 13.050 10.713 -6.971 1.00 23.03 H new ATOM 0 HA ASP A 36 12.451 8.451 -8.798 1.00 63.24 H new ATOM 0 HB2 ASP A 36 14.265 8.646 -6.358 1.00 3.42 H new ATOM 0 HB3 ASP A 36 13.923 7.161 -7.224 1.00 3.42 H new ATOM 569 N PRO A 37 10.290 8.281 -7.353 1.00 34.24 N ATOM 570 CA PRO A 37 9.118 7.949 -6.523 1.00 62.20 C ATOM 571 C PRO A 37 8.969 6.448 -6.227 1.00 35.53 C ATOM 572 O PRO A 37 8.486 6.069 -5.161 1.00 3.23 O ATOM 573 CB PRO A 37 7.951 8.453 -7.378 1.00 65.55 C ATOM 574 CG PRO A 37 8.424 8.294 -8.786 1.00 70.35 C ATOM 575 CD PRO A 37 9.913 8.538 -8.761 1.00 32.33 C ATOM 0 HA PRO A 37 9.186 8.399 -5.533 1.00 62.20 H new ATOM 0 HB2 PRO A 37 7.046 7.874 -7.195 1.00 65.55 H new ATOM 0 HB3 PRO A 37 7.715 9.493 -7.154 1.00 65.55 H new ATOM 0 HG2 PRO A 37 8.200 7.296 -9.161 1.00 70.35 H new ATOM 0 HG3 PRO A 37 7.925 9.003 -9.447 1.00 70.35 H new ATOM 0 HD2 PRO A 37 10.439 7.871 -9.444 1.00 32.33 H new ATOM 0 HD3 PRO A 37 10.156 9.557 -9.060 1.00 32.33 H new ATOM 583 N GLU A 38 9.387 5.601 -7.168 1.00 41.51 N ATOM 584 CA GLU A 38 9.235 4.145 -7.030 1.00 24.41 C ATOM 585 C GLU A 38 9.903 3.616 -5.748 1.00 43.42 C ATOM 586 O GLU A 38 9.265 2.936 -4.940 1.00 12.13 O ATOM 587 CB GLU A 38 9.811 3.438 -8.265 1.00 3.14 C ATOM 588 CG GLU A 38 9.160 3.874 -9.577 1.00 52.21 C ATOM 589 CD GLU A 38 9.699 3.123 -10.787 1.00 20.14 C ATOM 590 OE1 GLU A 38 10.850 3.387 -11.191 1.00 2.40 O ATOM 591 OE2 GLU A 38 8.976 2.267 -11.339 1.00 15.41 O ATOM 0 H GLU A 38 9.834 5.895 -8.036 1.00 41.51 H new ATOM 0 HA GLU A 38 8.170 3.928 -6.954 1.00 24.41 H new ATOM 0 HB2 GLU A 38 10.882 3.632 -8.318 1.00 3.14 H new ATOM 0 HB3 GLU A 38 9.688 2.361 -8.148 1.00 3.14 H new ATOM 0 HG2 GLU A 38 8.083 3.720 -9.511 1.00 52.21 H new ATOM 0 HG3 GLU A 38 9.321 4.943 -9.718 1.00 52.21 H new ATOM 598 N GLY A 39 11.181 3.946 -5.563 1.00 15.34 N ATOM 599 CA GLY A 39 11.903 3.532 -4.359 1.00 15.35 C ATOM 600 C GLY A 39 11.292 4.093 -3.075 1.00 60.53 C ATOM 601 O GLY A 39 11.102 3.363 -2.101 1.00 12.23 O ATOM 0 H GLY A 39 11.733 4.493 -6.223 1.00 15.34 H new ATOM 0 HA2 GLY A 39 11.914 2.443 -4.305 1.00 15.35 H new ATOM 0 HA3 GLY A 39 12.941 3.858 -4.434 1.00 15.35 H new ATOM 605 N PHE A 40 10.988 5.390 -3.081 1.00 55.25 N ATOM 606 CA PHE A 40 10.345 6.053 -1.937 1.00 32.21 C ATOM 607 C PHE A 40 9.060 5.322 -1.503 1.00 41.04 C ATOM 608 O PHE A 40 8.857 5.046 -0.318 1.00 63.42 O ATOM 609 CB PHE A 40 10.026 7.514 -2.295 1.00 20.55 C ATOM 610 CG PHE A 40 9.347 8.288 -1.186 1.00 55.33 C ATOM 611 CD1 PHE A 40 10.087 8.821 -0.138 1.00 54.44 C ATOM 612 CD2 PHE A 40 7.970 8.482 -1.193 1.00 40.24 C ATOM 613 CE1 PHE A 40 9.469 9.532 0.876 1.00 64.15 C ATOM 614 CE2 PHE A 40 7.350 9.192 -0.181 1.00 61.23 C ATOM 615 CZ PHE A 40 8.099 9.718 0.855 1.00 61.30 C ATOM 0 H PHE A 40 11.176 6.010 -3.869 1.00 55.25 H new ATOM 0 HA PHE A 40 11.040 6.025 -1.098 1.00 32.21 H new ATOM 0 HB2 PHE A 40 10.953 8.022 -2.563 1.00 20.55 H new ATOM 0 HB3 PHE A 40 9.387 7.529 -3.178 1.00 20.55 H new ATOM 0 HD1 PHE A 40 11.157 8.679 -0.114 1.00 54.44 H new ATOM 0 HD2 PHE A 40 7.378 8.073 -1.998 1.00 40.24 H new ATOM 0 HE1 PHE A 40 10.057 9.942 1.684 1.00 64.15 H new ATOM 0 HE2 PHE A 40 6.280 9.336 -0.200 1.00 61.23 H new ATOM 0 HZ PHE A 40 7.616 10.273 1.646 1.00 61.30 H new ATOM 625 N LEU A 41 8.197 5.017 -2.470 1.00 54.15 N ATOM 626 CA LEU A 41 6.951 4.294 -2.195 1.00 41.13 C ATOM 627 C LEU A 41 7.232 2.892 -1.638 1.00 73.20 C ATOM 628 O LEU A 41 6.656 2.495 -0.629 1.00 11.22 O ATOM 629 CB LEU A 41 6.098 4.191 -3.466 1.00 44.33 C ATOM 630 CG LEU A 41 5.569 5.527 -4.011 1.00 13.12 C ATOM 631 CD1 LEU A 41 4.802 5.315 -5.316 1.00 73.25 C ATOM 632 CD2 LEU A 41 4.688 6.218 -2.972 1.00 35.01 C ATOM 0 H LEU A 41 8.335 5.258 -3.451 1.00 54.15 H new ATOM 0 HA LEU A 41 6.401 4.857 -1.441 1.00 41.13 H new ATOM 0 HB2 LEU A 41 6.691 3.709 -4.244 1.00 44.33 H new ATOM 0 HB3 LEU A 41 5.249 3.539 -3.262 1.00 44.33 H new ATOM 0 HG LEU A 41 6.422 6.172 -4.221 1.00 13.12 H new ATOM 0 HD11 LEU A 41 4.437 6.274 -5.683 1.00 73.25 H new ATOM 0 HD12 LEU A 41 5.464 4.870 -6.059 1.00 73.25 H new ATOM 0 HD13 LEU A 41 3.957 4.649 -5.138 1.00 73.25 H new ATOM 0 HD21 LEU A 41 4.322 7.162 -3.375 1.00 35.01 H new ATOM 0 HD22 LEU A 41 3.842 5.576 -2.728 1.00 35.01 H new ATOM 0 HD23 LEU A 41 5.270 6.410 -2.071 1.00 35.01 H new ATOM 644 N GLN A 42 8.126 2.155 -2.294 1.00 34.43 N ATOM 645 CA GLN A 42 8.499 0.806 -1.850 1.00 42.04 C ATOM 646 C GLN A 42 8.975 0.819 -0.385 1.00 71.21 C ATOM 647 O GLN A 42 8.509 0.032 0.440 1.00 63.31 O ATOM 648 CB GLN A 42 9.589 0.236 -2.782 1.00 20.45 C ATOM 649 CG GLN A 42 10.024 -1.201 -2.469 1.00 74.33 C ATOM 650 CD GLN A 42 11.017 -1.302 -1.318 1.00 51.40 C ATOM 651 OE1 GLN A 42 11.817 -0.401 -1.086 1.00 12.45 O ATOM 652 NE2 GLN A 42 10.970 -2.396 -0.586 1.00 72.10 N ATOM 0 H GLN A 42 8.608 2.467 -3.137 1.00 34.43 H new ATOM 0 HA GLN A 42 7.621 0.162 -1.902 1.00 42.04 H new ATOM 0 HB2 GLN A 42 9.224 0.274 -3.808 1.00 20.45 H new ATOM 0 HB3 GLN A 42 10.464 0.884 -2.731 1.00 20.45 H new ATOM 0 HG2 GLN A 42 9.142 -1.795 -2.229 1.00 74.33 H new ATOM 0 HG3 GLN A 42 10.470 -1.639 -3.362 1.00 74.33 H new ATOM 0 HE21 GLN A 42 10.293 -3.127 -0.805 1.00 72.10 H new ATOM 0 HE22 GLN A 42 11.610 -2.512 0.199 1.00 72.10 H new ATOM 661 N ALA A 43 9.892 1.730 -0.070 1.00 30.10 N ATOM 662 CA ALA A 43 10.429 1.863 1.288 1.00 53.43 C ATOM 663 C ALA A 43 9.329 2.193 2.313 1.00 12.12 C ATOM 664 O ALA A 43 9.311 1.652 3.420 1.00 75.10 O ATOM 665 CB ALA A 43 11.514 2.933 1.312 1.00 42.32 C ATOM 0 H ALA A 43 10.283 2.393 -0.739 1.00 30.10 H new ATOM 0 HA ALA A 43 10.858 0.902 1.572 1.00 53.43 H new ATOM 0 HB1 ALA A 43 11.909 3.028 2.323 1.00 42.32 H new ATOM 0 HB2 ALA A 43 12.318 2.651 0.633 1.00 42.32 H new ATOM 0 HB3 ALA A 43 11.091 3.887 0.997 1.00 42.32 H new ATOM 671 N SER A 44 8.412 3.080 1.932 1.00 15.45 N ATOM 672 CA SER A 44 7.318 3.503 2.824 1.00 22.04 C ATOM 673 C SER A 44 6.282 2.384 3.028 1.00 55.43 C ATOM 674 O SER A 44 5.826 2.136 4.145 1.00 21.45 O ATOM 675 CB SER A 44 6.622 4.752 2.261 1.00 23.13 C ATOM 676 OG SER A 44 7.528 5.838 2.131 1.00 3.03 O ATOM 0 H SER A 44 8.399 3.523 1.013 1.00 15.45 H new ATOM 0 HA SER A 44 7.761 3.736 3.792 1.00 22.04 H new ATOM 0 HB2 SER A 44 6.188 4.521 1.288 1.00 23.13 H new ATOM 0 HB3 SER A 44 5.800 5.039 2.917 1.00 23.13 H new ATOM 0 HG SER A 44 8.060 5.724 1.316 1.00 3.03 H new ATOM 682 N LEU A 45 5.923 1.706 1.939 1.00 42.32 N ATOM 683 CA LEU A 45 4.901 0.648 1.971 1.00 13.10 C ATOM 684 C LEU A 45 5.469 -0.687 2.485 1.00 75.13 C ATOM 685 O LEU A 45 4.713 -1.606 2.800 1.00 11.22 O ATOM 686 CB LEU A 45 4.307 0.452 0.566 1.00 35.12 C ATOM 687 CG LEU A 45 3.682 1.707 -0.069 1.00 24.22 C ATOM 688 CD1 LEU A 45 3.157 1.401 -1.470 1.00 1.33 C ATOM 689 CD2 LEU A 45 2.571 2.273 0.814 1.00 14.21 C ATOM 0 H LEU A 45 6.325 1.868 1.016 1.00 42.32 H new ATOM 0 HA LEU A 45 4.121 0.965 2.663 1.00 13.10 H new ATOM 0 HB2 LEU A 45 5.093 0.085 -0.094 1.00 35.12 H new ATOM 0 HB3 LEU A 45 3.545 -0.326 0.618 1.00 35.12 H new ATOM 0 HG LEU A 45 4.462 2.464 -0.155 1.00 24.22 H new ATOM 0 HD11 LEU A 45 2.720 2.302 -1.900 1.00 1.33 H new ATOM 0 HD12 LEU A 45 3.979 1.061 -2.100 1.00 1.33 H new ATOM 0 HD13 LEU A 45 2.397 0.621 -1.412 1.00 1.33 H new ATOM 0 HD21 LEU A 45 2.147 3.159 0.342 1.00 14.21 H new ATOM 0 HD22 LEU A 45 1.791 1.522 0.944 1.00 14.21 H new ATOM 0 HD23 LEU A 45 2.981 2.542 1.787 1.00 14.21 H new ATOM 701 N LYS A 46 6.796 -0.772 2.573 1.00 33.32 N ATOM 702 CA LYS A 46 7.499 -1.995 3.001 1.00 21.43 C ATOM 703 C LYS A 46 6.892 -2.624 4.273 1.00 33.24 C ATOM 704 O LYS A 46 6.716 -3.837 4.360 1.00 63.34 O ATOM 705 CB LYS A 46 8.977 -1.670 3.266 1.00 31.45 C ATOM 706 CG LYS A 46 9.849 -2.902 3.499 1.00 70.31 C ATOM 707 CD LYS A 46 11.235 -2.547 4.049 1.00 65.12 C ATOM 708 CE LYS A 46 11.218 -2.276 5.558 1.00 13.35 C ATOM 709 NZ LYS A 46 10.570 -0.984 5.912 1.00 24.14 N ATOM 0 H LYS A 46 7.421 0.003 2.351 1.00 33.32 H new ATOM 0 HA LYS A 46 7.394 -2.719 2.193 1.00 21.43 H new ATOM 0 HB2 LYS A 46 9.374 -1.111 2.418 1.00 31.45 H new ATOM 0 HB3 LYS A 46 9.045 -1.019 4.137 1.00 31.45 H new ATOM 0 HG2 LYS A 46 9.346 -3.572 4.196 1.00 70.31 H new ATOM 0 HG3 LYS A 46 9.963 -3.445 2.561 1.00 70.31 H new ATOM 0 HD2 LYS A 46 11.926 -3.363 3.838 1.00 65.12 H new ATOM 0 HD3 LYS A 46 11.614 -1.667 3.530 1.00 65.12 H new ATOM 0 HE2 LYS A 46 10.694 -3.088 6.061 1.00 13.35 H new ATOM 0 HE3 LYS A 46 12.242 -2.277 5.933 1.00 13.35 H new ATOM 0 HZ1 LYS A 46 10.888 -0.683 6.855 1.00 24.14 H new ATOM 0 HZ2 LYS A 46 10.831 -0.261 5.211 1.00 24.14 H new ATOM 0 HZ3 LYS A 46 9.537 -1.104 5.917 1.00 24.14 H new ATOM 723 N ASP A 47 6.589 -1.784 5.258 1.00 61.02 N ATOM 724 CA ASP A 47 6.125 -2.254 6.569 1.00 2.25 C ATOM 725 C ASP A 47 4.615 -2.554 6.588 1.00 52.25 C ATOM 726 O ASP A 47 4.072 -2.969 7.612 1.00 32.53 O ATOM 727 CB ASP A 47 6.474 -1.208 7.627 1.00 31.25 C ATOM 728 CG ASP A 47 7.931 -0.800 7.541 1.00 5.23 C ATOM 729 OD1 ASP A 47 8.264 0.036 6.676 1.00 13.44 O ATOM 730 OD2 ASP A 47 8.758 -1.335 8.310 1.00 12.12 O ATOM 0 H ASP A 47 6.655 -0.769 5.177 1.00 61.02 H new ATOM 0 HA ASP A 47 6.631 -3.194 6.788 1.00 2.25 H new ATOM 0 HB2 ASP A 47 5.841 -0.331 7.496 1.00 31.25 H new ATOM 0 HB3 ASP A 47 6.264 -1.608 8.619 1.00 31.25 H new ATOM 735 N GLY A 48 3.940 -2.326 5.463 1.00 45.33 N ATOM 736 CA GLY A 48 2.519 -2.646 5.351 1.00 11.24 C ATOM 737 C GLY A 48 1.584 -1.640 6.026 1.00 0.44 C ATOM 738 O GLY A 48 0.476 -1.410 5.547 1.00 42.24 O ATOM 0 H GLY A 48 4.351 -1.923 4.621 1.00 45.33 H new ATOM 0 HA2 GLY A 48 2.257 -2.713 4.295 1.00 11.24 H new ATOM 0 HA3 GLY A 48 2.346 -3.631 5.786 1.00 11.24 H new ATOM 742 N VAL A 49 2.027 -1.035 7.132 1.00 63.12 N ATOM 743 CA VAL A 49 1.182 -0.114 7.917 1.00 4.44 C ATOM 744 C VAL A 49 0.520 0.971 7.043 1.00 4.35 C ATOM 745 O VAL A 49 -0.679 1.228 7.161 1.00 15.35 O ATOM 746 CB VAL A 49 1.989 0.571 9.051 1.00 11.52 C ATOM 747 CG1 VAL A 49 1.063 1.376 9.966 1.00 35.24 C ATOM 748 CG2 VAL A 49 2.789 -0.457 9.851 1.00 41.22 C ATOM 0 H VAL A 49 2.966 -1.163 7.509 1.00 63.12 H new ATOM 0 HA VAL A 49 0.396 -0.731 8.352 1.00 4.44 H new ATOM 0 HB VAL A 49 2.696 1.262 8.593 1.00 11.52 H new ATOM 0 HG11 VAL A 49 1.650 1.848 10.754 1.00 35.24 H new ATOM 0 HG12 VAL A 49 0.554 2.144 9.384 1.00 35.24 H new ATOM 0 HG13 VAL A 49 0.325 0.710 10.413 1.00 35.24 H new ATOM 0 HG21 VAL A 49 3.346 0.049 10.640 1.00 41.22 H new ATOM 0 HG22 VAL A 49 2.108 -1.182 10.296 1.00 41.22 H new ATOM 0 HG23 VAL A 49 3.485 -0.972 9.189 1.00 41.22 H new ATOM 758 N VAL A 50 1.301 1.603 6.161 1.00 4.22 N ATOM 759 CA VAL A 50 0.762 2.624 5.249 1.00 52.35 C ATOM 760 C VAL A 50 -0.335 2.036 4.339 1.00 11.23 C ATOM 761 O VAL A 50 -1.322 2.703 4.026 1.00 11.11 O ATOM 762 CB VAL A 50 1.877 3.256 4.373 1.00 64.12 C ATOM 763 CG1 VAL A 50 1.303 4.341 3.460 1.00 22.32 C ATOM 764 CG2 VAL A 50 3.000 3.824 5.245 1.00 22.13 C ATOM 0 H VAL A 50 2.301 1.430 6.057 1.00 4.22 H new ATOM 0 HA VAL A 50 0.326 3.404 5.873 1.00 52.35 H new ATOM 0 HB VAL A 50 2.297 2.470 3.746 1.00 64.12 H new ATOM 0 HG11 VAL A 50 2.103 4.769 2.856 1.00 22.32 H new ATOM 0 HG12 VAL A 50 0.548 3.904 2.806 1.00 22.32 H new ATOM 0 HG13 VAL A 50 0.848 5.124 4.067 1.00 22.32 H new ATOM 0 HG21 VAL A 50 3.769 4.261 4.608 1.00 22.13 H new ATOM 0 HG22 VAL A 50 2.596 4.592 5.905 1.00 22.13 H new ATOM 0 HG23 VAL A 50 3.436 3.024 5.844 1.00 22.13 H new ATOM 774 N LEU A 51 -0.159 0.776 3.934 1.00 45.02 N ATOM 775 CA LEU A 51 -1.159 0.072 3.119 1.00 73.22 C ATOM 776 C LEU A 51 -2.446 -0.178 3.918 1.00 3.22 C ATOM 777 O LEU A 51 -3.552 -0.028 3.397 1.00 53.54 O ATOM 778 CB LEU A 51 -0.596 -1.265 2.612 1.00 62.25 C ATOM 779 CG LEU A 51 0.555 -1.164 1.601 1.00 70.13 C ATOM 780 CD1 LEU A 51 1.081 -2.554 1.257 1.00 62.13 C ATOM 781 CD2 LEU A 51 0.101 -0.432 0.337 1.00 32.14 C ATOM 0 H LEU A 51 0.667 0.220 4.156 1.00 45.02 H new ATOM 0 HA LEU A 51 -1.398 0.706 2.265 1.00 73.22 H new ATOM 0 HB2 LEU A 51 -0.251 -1.841 3.470 1.00 62.25 H new ATOM 0 HB3 LEU A 51 -1.408 -1.830 2.154 1.00 62.25 H new ATOM 0 HG LEU A 51 1.363 -0.590 2.054 1.00 70.13 H new ATOM 0 HD11 LEU A 51 1.897 -2.467 0.539 1.00 62.13 H new ATOM 0 HD12 LEU A 51 1.445 -3.040 2.162 1.00 62.13 H new ATOM 0 HD13 LEU A 51 0.278 -3.150 0.823 1.00 62.13 H new ATOM 0 HD21 LEU A 51 0.931 -0.371 -0.366 1.00 32.14 H new ATOM 0 HD22 LEU A 51 -0.724 -0.976 -0.122 1.00 32.14 H new ATOM 0 HD23 LEU A 51 -0.228 0.574 0.597 1.00 32.14 H new ATOM 793 N CYS A 52 -2.297 -0.565 5.184 1.00 51.01 N ATOM 794 CA CYS A 52 -3.446 -0.766 6.074 1.00 11.44 C ATOM 795 C CYS A 52 -4.251 0.532 6.218 1.00 23.12 C ATOM 796 O CYS A 52 -5.479 0.527 6.119 1.00 40.02 O ATOM 797 CB CYS A 52 -2.971 -1.254 7.447 1.00 51.41 C ATOM 798 SG CYS A 52 -1.959 -2.756 7.383 1.00 21.42 S ATOM 0 H CYS A 52 -1.393 -0.746 5.619 1.00 51.01 H new ATOM 0 HA CYS A 52 -4.095 -1.525 5.637 1.00 11.44 H new ATOM 0 HB2 CYS A 52 -2.396 -0.461 7.925 1.00 51.41 H new ATOM 0 HB3 CYS A 52 -3.841 -1.441 8.076 1.00 51.41 H new ATOM 0 HG CYS A 52 -0.872 -2.519 6.710 1.00 21.42 H new ATOM 804 N ARG A 53 -3.547 1.645 6.446 1.00 1.53 N ATOM 805 CA ARG A 53 -4.173 2.976 6.453 1.00 54.42 C ATOM 806 C ARG A 53 -4.939 3.217 5.142 1.00 74.14 C ATOM 807 O ARG A 53 -6.108 3.602 5.145 1.00 54.44 O ATOM 808 CB ARG A 53 -3.113 4.077 6.612 1.00 65.51 C ATOM 809 CG ARG A 53 -2.260 3.978 7.871 1.00 31.34 C ATOM 810 CD ARG A 53 -1.202 5.077 7.905 1.00 64.31 C ATOM 811 NE ARG A 53 -0.357 4.998 9.093 1.00 61.21 N ATOM 812 CZ ARG A 53 0.657 5.791 9.324 1.00 71.11 C ATOM 813 NH1 ARG A 53 0.978 6.715 8.472 1.00 55.41 N ATOM 814 NH2 ARG A 53 1.346 5.653 10.411 1.00 11.52 N ATOM 0 H ARG A 53 -2.543 1.653 6.628 1.00 1.53 H new ATOM 0 HA ARG A 53 -4.863 3.011 7.296 1.00 54.42 H new ATOM 0 HB2 ARG A 53 -2.455 4.054 5.743 1.00 65.51 H new ATOM 0 HB3 ARG A 53 -3.614 5.045 6.607 1.00 65.51 H new ATOM 0 HG2 ARG A 53 -2.897 4.054 8.752 1.00 31.34 H new ATOM 0 HG3 ARG A 53 -1.776 3.002 7.911 1.00 31.34 H new ATOM 0 HD2 ARG A 53 -0.579 5.006 7.014 1.00 64.31 H new ATOM 0 HD3 ARG A 53 -1.692 6.050 7.875 1.00 64.31 H new ATOM 0 HE ARG A 53 -0.571 4.280 9.785 1.00 61.21 H new ATOM 0 HH11 ARG A 53 0.438 6.827 7.614 1.00 55.41 H new ATOM 0 HH12 ARG A 53 1.770 7.329 8.660 1.00 55.41 H new ATOM 0 HH21 ARG A 53 1.097 4.928 11.084 1.00 11.52 H new ATOM 0 HH22 ARG A 53 2.138 6.269 10.595 1.00 11.52 H new ATOM 828 N LEU A 54 -4.249 2.981 4.026 1.00 1.42 N ATOM 829 CA LEU A 54 -4.817 3.142 2.682 1.00 10.55 C ATOM 830 C LEU A 54 -6.125 2.352 2.517 1.00 10.21 C ATOM 831 O LEU A 54 -7.139 2.890 2.062 1.00 20.05 O ATOM 832 CB LEU A 54 -3.783 2.682 1.644 1.00 34.44 C ATOM 833 CG LEU A 54 -4.211 2.788 0.173 1.00 50.21 C ATOM 834 CD1 LEU A 54 -4.499 4.238 -0.204 1.00 53.45 C ATOM 835 CD2 LEU A 54 -3.140 2.194 -0.738 1.00 43.11 C ATOM 0 H LEU A 54 -3.277 2.672 4.026 1.00 1.42 H new ATOM 0 HA LEU A 54 -5.056 4.195 2.531 1.00 10.55 H new ATOM 0 HB2 LEU A 54 -2.875 3.269 1.780 1.00 34.44 H new ATOM 0 HB3 LEU A 54 -3.526 1.644 1.853 1.00 34.44 H new ATOM 0 HG LEU A 54 -5.130 2.217 0.041 1.00 50.21 H new ATOM 0 HD11 LEU A 54 -4.800 4.289 -1.250 1.00 53.45 H new ATOM 0 HD12 LEU A 54 -5.302 4.625 0.424 1.00 53.45 H new ATOM 0 HD13 LEU A 54 -3.601 4.838 -0.055 1.00 53.45 H new ATOM 0 HD21 LEU A 54 -3.459 2.277 -1.777 1.00 43.11 H new ATOM 0 HD22 LEU A 54 -2.204 2.736 -0.601 1.00 43.11 H new ATOM 0 HD23 LEU A 54 -2.991 1.144 -0.487 1.00 43.11 H new ATOM 847 N LEU A 55 -6.098 1.081 2.907 1.00 31.01 N ATOM 848 CA LEU A 55 -7.261 0.204 2.767 1.00 75.31 C ATOM 849 C LEU A 55 -8.404 0.624 3.708 1.00 73.30 C ATOM 850 O LEU A 55 -9.571 0.477 3.368 1.00 13.32 O ATOM 851 CB LEU A 55 -6.862 -1.257 3.024 1.00 20.45 C ATOM 852 CG LEU A 55 -7.948 -2.302 2.711 1.00 61.03 C ATOM 853 CD1 LEU A 55 -8.394 -2.201 1.252 1.00 62.35 C ATOM 854 CD2 LEU A 55 -7.438 -3.706 3.016 1.00 12.34 C ATOM 0 H LEU A 55 -5.282 0.632 3.324 1.00 31.01 H new ATOM 0 HA LEU A 55 -7.626 0.296 1.744 1.00 75.31 H new ATOM 0 HB2 LEU A 55 -5.979 -1.485 2.427 1.00 20.45 H new ATOM 0 HB3 LEU A 55 -6.574 -1.359 4.070 1.00 20.45 H new ATOM 0 HG LEU A 55 -8.811 -2.099 3.346 1.00 61.03 H new ATOM 0 HD11 LEU A 55 -9.162 -2.949 1.054 1.00 62.35 H new ATOM 0 HD12 LEU A 55 -8.799 -1.207 1.063 1.00 62.35 H new ATOM 0 HD13 LEU A 55 -7.540 -2.375 0.598 1.00 62.35 H new ATOM 0 HD21 LEU A 55 -8.217 -4.433 2.789 1.00 12.34 H new ATOM 0 HD22 LEU A 55 -6.559 -3.914 2.406 1.00 12.34 H new ATOM 0 HD23 LEU A 55 -7.172 -3.775 4.071 1.00 12.34 H new ATOM 866 N GLU A 56 -8.063 1.152 4.885 1.00 61.22 N ATOM 867 CA GLU A 56 -9.076 1.635 5.842 1.00 22.04 C ATOM 868 C GLU A 56 -9.661 2.998 5.430 1.00 13.15 C ATOM 869 O GLU A 56 -10.810 3.309 5.741 1.00 71.21 O ATOM 870 CB GLU A 56 -8.480 1.727 7.256 1.00 63.45 C ATOM 871 CG GLU A 56 -8.213 0.373 7.908 1.00 64.25 C ATOM 872 CD GLU A 56 -9.489 -0.424 8.157 1.00 22.44 C ATOM 873 OE1 GLU A 56 -10.234 -0.083 9.102 1.00 54.04 O ATOM 874 OE2 GLU A 56 -9.757 -1.388 7.414 1.00 53.51 O ATOM 0 H GLU A 56 -7.100 1.258 5.203 1.00 61.22 H new ATOM 0 HA GLU A 56 -9.890 0.911 5.838 1.00 22.04 H new ATOM 0 HB2 GLU A 56 -7.546 2.287 7.209 1.00 63.45 H new ATOM 0 HB3 GLU A 56 -9.161 2.296 7.890 1.00 63.45 H new ATOM 0 HG2 GLU A 56 -7.546 -0.207 7.270 1.00 64.25 H new ATOM 0 HG3 GLU A 56 -7.695 0.526 8.855 1.00 64.25 H new ATOM 881 N ARG A 57 -8.866 3.813 4.738 1.00 22.01 N ATOM 882 CA ARG A 57 -9.333 5.125 4.261 1.00 75.32 C ATOM 883 C ARG A 57 -10.314 4.990 3.084 1.00 3.24 C ATOM 884 O ARG A 57 -11.122 5.886 2.831 1.00 24.22 O ATOM 885 CB ARG A 57 -8.142 6.002 3.847 1.00 13.32 C ATOM 886 CG ARG A 57 -7.347 6.573 5.020 1.00 21.02 C ATOM 887 CD ARG A 57 -8.212 7.459 5.915 1.00 41.44 C ATOM 888 NE ARG A 57 -8.919 8.491 5.154 1.00 3.04 N ATOM 889 CZ ARG A 57 -9.760 9.346 5.677 1.00 12.04 C ATOM 890 NH1 ARG A 57 -9.971 9.371 6.955 1.00 25.12 N ATOM 891 NH2 ARG A 57 -10.378 10.187 4.915 1.00 13.31 N ATOM 0 H ARG A 57 -7.900 3.595 4.493 1.00 22.01 H new ATOM 0 HA ARG A 57 -9.862 5.600 5.087 1.00 75.32 H new ATOM 0 HB2 ARG A 57 -7.472 5.413 3.221 1.00 13.32 H new ATOM 0 HB3 ARG A 57 -8.508 6.826 3.235 1.00 13.32 H new ATOM 0 HG2 ARG A 57 -6.932 5.756 5.610 1.00 21.02 H new ATOM 0 HG3 ARG A 57 -6.505 7.152 4.641 1.00 21.02 H new ATOM 0 HD2 ARG A 57 -8.936 6.840 6.445 1.00 41.44 H new ATOM 0 HD3 ARG A 57 -7.585 7.933 6.670 1.00 41.44 H new ATOM 0 HE ARG A 57 -8.744 8.547 4.151 1.00 3.04 H new ATOM 0 HH11 ARG A 57 -9.479 8.719 7.566 1.00 25.12 H new ATOM 0 HH12 ARG A 57 -10.629 10.043 7.350 1.00 25.12 H new ATOM 0 HH21 ARG A 57 -10.210 10.183 3.909 1.00 13.31 H new ATOM 0 HH22 ARG A 57 -11.034 10.855 5.320 1.00 13.31 H new ATOM 905 N LEU A 58 -10.216 3.880 2.355 1.00 72.03 N ATOM 906 CA LEU A 58 -11.119 3.598 1.228 1.00 41.21 C ATOM 907 C LEU A 58 -12.204 2.576 1.618 1.00 63.01 C ATOM 908 O LEU A 58 -13.375 2.724 1.261 1.00 2.24 O ATOM 909 CB LEU A 58 -10.306 3.074 0.033 1.00 4.45 C ATOM 910 CG LEU A 58 -9.201 4.022 -0.468 1.00 53.31 C ATOM 911 CD1 LEU A 58 -8.404 3.378 -1.598 1.00 60.02 C ATOM 912 CD2 LEU A 58 -9.796 5.356 -0.920 1.00 2.40 C ATOM 0 H LEU A 58 -9.518 3.155 2.522 1.00 72.03 H new ATOM 0 HA LEU A 58 -11.620 4.526 0.952 1.00 41.21 H new ATOM 0 HB2 LEU A 58 -9.850 2.124 0.312 1.00 4.45 H new ATOM 0 HB3 LEU A 58 -10.990 2.870 -0.791 1.00 4.45 H new ATOM 0 HG LEU A 58 -8.520 4.215 0.361 1.00 53.31 H new ATOM 0 HD11 LEU A 58 -7.629 4.067 -1.935 1.00 60.02 H new ATOM 0 HD12 LEU A 58 -7.941 2.459 -1.239 1.00 60.02 H new ATOM 0 HD13 LEU A 58 -9.071 3.148 -2.429 1.00 60.02 H new ATOM 0 HD21 LEU A 58 -8.998 6.010 -1.270 1.00 2.40 H new ATOM 0 HD22 LEU A 58 -10.504 5.183 -1.730 1.00 2.40 H new ATOM 0 HD23 LEU A 58 -10.311 5.827 -0.083 1.00 2.40 H new ATOM 924 N LEU A 59 -11.799 1.539 2.346 1.00 72.12 N ATOM 925 CA LEU A 59 -12.719 0.498 2.834 1.00 23.01 C ATOM 926 C LEU A 59 -12.590 0.326 4.363 1.00 40.41 C ATOM 927 O LEU A 59 -11.907 -0.584 4.839 1.00 64.01 O ATOM 928 CB LEU A 59 -12.428 -0.840 2.133 1.00 55.53 C ATOM 929 CG LEU A 59 -12.577 -0.839 0.604 1.00 25.44 C ATOM 930 CD1 LEU A 59 -12.135 -2.179 0.021 1.00 22.43 C ATOM 931 CD2 LEU A 59 -14.015 -0.525 0.200 1.00 73.03 C ATOM 0 H LEU A 59 -10.827 1.390 2.618 1.00 72.12 H new ATOM 0 HA LEU A 59 -13.738 0.809 2.603 1.00 23.01 H new ATOM 0 HB2 LEU A 59 -11.411 -1.145 2.380 1.00 55.53 H new ATOM 0 HB3 LEU A 59 -13.096 -1.597 2.544 1.00 55.53 H new ATOM 0 HG LEU A 59 -11.932 -0.059 0.199 1.00 25.44 H new ATOM 0 HD11 LEU A 59 -12.248 -2.159 -1.063 1.00 22.43 H new ATOM 0 HD12 LEU A 59 -11.090 -2.359 0.274 1.00 22.43 H new ATOM 0 HD13 LEU A 59 -12.751 -2.977 0.435 1.00 22.43 H new ATOM 0 HD21 LEU A 59 -14.097 -0.530 -0.887 1.00 73.03 H new ATOM 0 HD22 LEU A 59 -14.683 -1.278 0.617 1.00 73.03 H new ATOM 0 HD23 LEU A 59 -14.294 0.458 0.581 1.00 73.03 H new ATOM 943 N PRO A 60 -13.235 1.206 5.154 1.00 64.51 N ATOM 944 CA PRO A 60 -13.110 1.189 6.626 1.00 43.04 C ATOM 945 C PRO A 60 -13.735 -0.058 7.276 1.00 51.13 C ATOM 946 O PRO A 60 -14.906 -0.377 7.044 1.00 62.15 O ATOM 947 CB PRO A 60 -13.859 2.461 7.059 1.00 2.14 C ATOM 948 CG PRO A 60 -14.817 2.734 5.949 1.00 35.13 C ATOM 949 CD PRO A 60 -14.125 2.287 4.688 1.00 24.41 C ATOM 0 HA PRO A 60 -12.066 1.159 6.938 1.00 43.04 H new ATOM 0 HB2 PRO A 60 -14.381 2.311 8.004 1.00 2.14 H new ATOM 0 HB3 PRO A 60 -13.172 3.295 7.203 1.00 2.14 H new ATOM 0 HG2 PRO A 60 -15.750 2.191 6.096 1.00 35.13 H new ATOM 0 HG3 PRO A 60 -15.069 3.793 5.902 1.00 35.13 H new ATOM 0 HD2 PRO A 60 -14.837 1.929 3.944 1.00 24.41 H new ATOM 0 HD3 PRO A 60 -13.564 3.100 4.227 1.00 24.41 H new ATOM 957 N GLY A 61 -12.946 -0.753 8.098 1.00 24.21 N ATOM 958 CA GLY A 61 -13.435 -1.937 8.801 1.00 43.24 C ATOM 959 C GLY A 61 -13.045 -3.244 8.118 1.00 4.24 C ATOM 960 O GLY A 61 -13.731 -4.258 8.264 1.00 24.33 O ATOM 0 H GLY A 61 -11.973 -0.517 8.291 1.00 24.21 H new ATOM 0 HA2 GLY A 61 -13.044 -1.935 9.818 1.00 43.24 H new ATOM 0 HA3 GLY A 61 -14.521 -1.884 8.877 1.00 43.24 H new ATOM 964 N THR A 62 -11.941 -3.224 7.376 1.00 44.31 N ATOM 965 CA THR A 62 -11.466 -4.410 6.649 1.00 32.24 C ATOM 966 C THR A 62 -10.267 -5.065 7.354 1.00 71.11 C ATOM 967 O THR A 62 -10.175 -6.293 7.444 1.00 61.35 O ATOM 968 CB THR A 62 -11.061 -4.050 5.198 1.00 21.40 C ATOM 969 OG1 THR A 62 -12.155 -3.410 4.521 1.00 21.13 O ATOM 970 CG2 THR A 62 -10.645 -5.291 4.418 1.00 52.44 C ATOM 0 H THR A 62 -11.353 -2.399 7.259 1.00 44.31 H new ATOM 0 HA THR A 62 -12.295 -5.118 6.630 1.00 32.24 H new ATOM 0 HB THR A 62 -10.212 -3.369 5.250 1.00 21.40 H new ATOM 0 HG1 THR A 62 -12.081 -2.438 4.625 1.00 21.13 H new ATOM 0 HG21 THR A 62 -10.366 -5.007 3.403 1.00 52.44 H new ATOM 0 HG22 THR A 62 -9.794 -5.761 4.910 1.00 52.44 H new ATOM 0 HG23 THR A 62 -11.477 -5.994 4.382 1.00 52.44 H new ATOM 978 N ILE A 63 -9.342 -4.243 7.841 1.00 32.21 N ATOM 979 CA ILE A 63 -8.166 -4.741 8.564 1.00 12.53 C ATOM 980 C ILE A 63 -8.552 -5.244 9.965 1.00 35.21 C ATOM 981 O ILE A 63 -9.174 -4.519 10.746 1.00 10.22 O ATOM 982 CB ILE A 63 -7.078 -3.642 8.700 1.00 34.24 C ATOM 983 CG1 ILE A 63 -6.686 -3.087 7.320 1.00 55.41 C ATOM 984 CG2 ILE A 63 -5.849 -4.184 9.431 1.00 45.43 C ATOM 985 CD1 ILE A 63 -6.070 -4.114 6.392 1.00 31.24 C ATOM 0 H ILE A 63 -9.380 -3.228 7.750 1.00 32.21 H new ATOM 0 HA ILE A 63 -7.762 -5.569 7.982 1.00 12.53 H new ATOM 0 HB ILE A 63 -7.494 -2.825 9.290 1.00 34.24 H new ATOM 0 HG12 ILE A 63 -7.572 -2.668 6.844 1.00 55.41 H new ATOM 0 HG13 ILE A 63 -5.980 -2.267 7.457 1.00 55.41 H new ATOM 0 HG21 ILE A 63 -5.099 -3.397 9.515 1.00 45.43 H new ATOM 0 HG22 ILE A 63 -6.137 -4.519 10.427 1.00 45.43 H new ATOM 0 HG23 ILE A 63 -5.434 -5.023 8.872 1.00 45.43 H new ATOM 0 HD11 ILE A 63 -5.822 -3.643 5.441 1.00 31.24 H new ATOM 0 HD12 ILE A 63 -5.164 -4.516 6.845 1.00 31.24 H new ATOM 0 HD13 ILE A 63 -6.780 -4.923 6.222 1.00 31.24 H new ATOM 997 N GLU A 64 -8.185 -6.483 10.285 1.00 34.21 N ATOM 998 CA GLU A 64 -8.514 -7.064 11.592 1.00 50.11 C ATOM 999 C GLU A 64 -7.342 -6.949 12.575 1.00 62.22 C ATOM 1000 O GLU A 64 -7.512 -6.500 13.712 1.00 63.34 O ATOM 1001 CB GLU A 64 -8.935 -8.532 11.444 1.00 2.31 C ATOM 1002 CG GLU A 64 -9.311 -9.191 12.769 1.00 1.44 C ATOM 1003 CD GLU A 64 -9.885 -10.585 12.594 1.00 21.52 C ATOM 1004 OE1 GLU A 64 -9.100 -11.539 12.425 1.00 10.31 O ATOM 1005 OE2 GLU A 64 -11.125 -10.731 12.637 1.00 25.10 O ATOM 0 H GLU A 64 -7.664 -7.103 9.665 1.00 34.21 H new ATOM 0 HA GLU A 64 -9.350 -6.495 11.998 1.00 50.11 H new ATOM 0 HB2 GLU A 64 -9.784 -8.592 10.763 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -8.119 -9.092 10.987 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -8.428 -9.245 13.406 1.00 1.44 H new ATOM 0 HG3 GLU A 64 -10.039 -8.566 13.286 1.00 1.44 H new ATOM 1012 N LYS A 65 -6.150 -7.350 12.142 1.00 50.31 N ATOM 1013 CA LYS A 65 -4.958 -7.269 12.997 1.00 71.23 C ATOM 1014 C LYS A 65 -3.777 -6.618 12.263 1.00 72.14 C ATOM 1015 O LYS A 65 -3.075 -7.270 11.488 1.00 34.21 O ATOM 1016 CB LYS A 65 -4.563 -8.666 13.506 1.00 44.30 C ATOM 1017 CG LYS A 65 -3.304 -8.684 14.378 1.00 75.44 C ATOM 1018 CD LYS A 65 -3.440 -7.790 15.614 1.00 63.33 C ATOM 1019 CE LYS A 65 -2.184 -7.819 16.481 1.00 74.25 C ATOM 1020 NZ LYS A 65 -2.315 -6.963 17.691 1.00 41.52 N ATOM 0 H LYS A 65 -5.979 -7.732 11.212 1.00 50.31 H new ATOM 0 HA LYS A 65 -5.209 -6.638 13.850 1.00 71.23 H new ATOM 0 HB2 LYS A 65 -5.393 -9.080 14.078 1.00 44.30 H new ATOM 0 HB3 LYS A 65 -4.407 -9.322 12.649 1.00 44.30 H new ATOM 0 HG2 LYS A 65 -3.098 -9.707 14.693 1.00 75.44 H new ATOM 0 HG3 LYS A 65 -2.450 -8.354 13.786 1.00 75.44 H new ATOM 0 HD2 LYS A 65 -3.641 -6.766 15.300 1.00 63.33 H new ATOM 0 HD3 LYS A 65 -4.296 -8.116 16.205 1.00 63.33 H new ATOM 0 HE2 LYS A 65 -1.978 -8.845 16.785 1.00 74.25 H new ATOM 0 HE3 LYS A 65 -1.330 -7.484 15.892 1.00 74.25 H new ATOM 0 HZ1 LYS A 65 -1.439 -7.014 18.249 1.00 41.52 H new ATOM 0 HZ2 LYS A 65 -2.485 -5.978 17.403 1.00 41.52 H new ATOM 0 HZ3 LYS A 65 -3.113 -7.298 18.268 1.00 41.52 H new ATOM 1034 N VAL A 66 -3.572 -5.325 12.506 1.00 42.54 N ATOM 1035 CA VAL A 66 -2.419 -4.609 11.953 1.00 13.31 C ATOM 1036 C VAL A 66 -1.360 -4.362 13.038 1.00 54.05 C ATOM 1037 O VAL A 66 -1.679 -4.256 14.223 1.00 22.10 O ATOM 1038 CB VAL A 66 -2.829 -3.249 11.321 1.00 50.44 C ATOM 1039 CG1 VAL A 66 -3.390 -2.295 12.377 1.00 74.34 C ATOM 1040 CG2 VAL A 66 -1.650 -2.609 10.587 1.00 22.43 C ATOM 0 H VAL A 66 -4.187 -4.750 13.081 1.00 42.54 H new ATOM 0 HA VAL A 66 -2.001 -5.242 11.170 1.00 13.31 H new ATOM 0 HB VAL A 66 -3.617 -3.446 10.594 1.00 50.44 H new ATOM 0 HG11 VAL A 66 -3.668 -1.353 11.905 1.00 74.34 H new ATOM 0 HG12 VAL A 66 -4.269 -2.742 12.841 1.00 74.34 H new ATOM 0 HG13 VAL A 66 -2.633 -2.110 13.139 1.00 74.34 H new ATOM 0 HG21 VAL A 66 -1.963 -1.659 10.154 1.00 22.43 H new ATOM 0 HG22 VAL A 66 -0.835 -2.436 11.289 1.00 22.43 H new ATOM 0 HG23 VAL A 66 -1.311 -3.275 9.794 1.00 22.43 H new ATOM 1050 N TYR A 67 -0.104 -4.287 12.625 1.00 55.10 N ATOM 1051 CA TYR A 67 0.996 -3.955 13.529 1.00 73.14 C ATOM 1052 C TYR A 67 1.574 -2.576 13.181 1.00 42.33 C ATOM 1053 O TYR A 67 2.447 -2.466 12.318 1.00 70.32 O ATOM 1054 CB TYR A 67 2.098 -5.022 13.447 1.00 1.11 C ATOM 1055 CG TYR A 67 1.628 -6.416 13.814 1.00 30.44 C ATOM 1056 CD1 TYR A 67 1.650 -6.851 15.135 1.00 63.44 C ATOM 1057 CD2 TYR A 67 1.167 -7.300 12.842 1.00 20.11 C ATOM 1058 CE1 TYR A 67 1.224 -8.119 15.475 1.00 10.03 C ATOM 1059 CE2 TYR A 67 0.742 -8.570 13.175 1.00 45.33 C ATOM 1060 CZ TYR A 67 0.774 -8.975 14.491 1.00 53.55 C ATOM 1061 OH TYR A 67 0.359 -10.246 14.829 1.00 0.21 O ATOM 0 H TYR A 67 0.184 -4.453 11.661 1.00 55.10 H new ATOM 0 HA TYR A 67 0.609 -3.928 14.548 1.00 73.14 H new ATOM 0 HB2 TYR A 67 2.500 -5.039 12.434 1.00 1.11 H new ATOM 0 HB3 TYR A 67 2.916 -4.738 14.109 1.00 1.11 H new ATOM 0 HD1 TYR A 67 2.006 -6.186 15.907 1.00 63.44 H new ATOM 0 HD2 TYR A 67 1.142 -6.986 11.809 1.00 20.11 H new ATOM 0 HE1 TYR A 67 1.243 -8.440 16.506 1.00 10.03 H new ATOM 0 HE2 TYR A 67 0.386 -9.242 12.408 1.00 45.33 H new ATOM 0 HH TYR A 67 0.071 -10.722 14.022 1.00 0.21 H new ATOM 1071 N PRO A 68 1.081 -1.499 13.833 1.00 2.33 N ATOM 1072 CA PRO A 68 1.594 -0.136 13.605 1.00 34.32 C ATOM 1073 C PRO A 68 3.066 -0.012 14.018 1.00 11.25 C ATOM 1074 O PRO A 68 3.784 0.890 13.579 1.00 15.43 O ATOM 1075 CB PRO A 68 0.697 0.741 14.496 1.00 63.40 C ATOM 1076 CG PRO A 68 0.143 -0.192 15.522 1.00 11.22 C ATOM 1077 CD PRO A 68 -0.005 -1.522 14.832 1.00 53.11 C ATOM 0 HA PRO A 68 1.564 0.151 12.554 1.00 34.32 H new ATOM 0 HB2 PRO A 68 1.267 1.545 14.961 1.00 63.40 H new ATOM 0 HB3 PRO A 68 -0.099 1.208 13.916 1.00 63.40 H new ATOM 0 HG2 PRO A 68 0.810 -0.269 16.381 1.00 11.22 H new ATOM 0 HG3 PRO A 68 -0.817 0.163 15.895 1.00 11.22 H new ATOM 0 HD2 PRO A 68 0.105 -2.353 15.529 1.00 53.11 H new ATOM 0 HD3 PRO A 68 -0.983 -1.627 14.363 1.00 53.11 H new ATOM 1085 N GLU A 69 3.501 -0.939 14.862 1.00 55.32 N ATOM 1086 CA GLU A 69 4.893 -1.025 15.307 1.00 33.10 C ATOM 1087 C GLU A 69 5.448 -2.447 15.071 1.00 53.15 C ATOM 1088 O GLU A 69 5.628 -3.223 16.010 1.00 41.01 O ATOM 1089 CB GLU A 69 4.979 -0.631 16.793 1.00 63.43 C ATOM 1090 CG GLU A 69 3.986 -1.379 17.682 1.00 13.23 C ATOM 1091 CD GLU A 69 3.957 -0.856 19.107 1.00 45.52 C ATOM 1092 OE1 GLU A 69 4.726 -1.357 19.954 1.00 31.13 O ATOM 1093 OE2 GLU A 69 3.159 0.060 19.391 1.00 44.34 O ATOM 0 H GLU A 69 2.898 -1.658 15.261 1.00 55.32 H new ATOM 0 HA GLU A 69 5.504 -0.334 14.727 1.00 33.10 H new ATOM 0 HB2 GLU A 69 5.990 -0.820 17.153 1.00 63.43 H new ATOM 0 HB3 GLU A 69 4.803 0.441 16.887 1.00 63.43 H new ATOM 0 HG2 GLU A 69 2.988 -1.299 17.251 1.00 13.23 H new ATOM 0 HG3 GLU A 69 4.244 -2.438 17.694 1.00 13.23 H new ATOM 1100 N PRO A 70 5.706 -2.813 13.797 1.00 70.30 N ATOM 1101 CA PRO A 70 6.150 -4.168 13.441 1.00 33.13 C ATOM 1102 C PRO A 70 7.611 -4.440 13.832 1.00 2.40 C ATOM 1103 O PRO A 70 8.541 -3.890 13.240 1.00 4.40 O ATOM 1104 CB PRO A 70 5.968 -4.205 11.917 1.00 31.13 C ATOM 1105 CG PRO A 70 6.129 -2.787 11.482 1.00 52.15 C ATOM 1106 CD PRO A 70 5.597 -1.938 12.611 1.00 44.23 C ATOM 0 HA PRO A 70 5.585 -4.936 13.969 1.00 33.13 H new ATOM 0 HB2 PRO A 70 6.709 -4.850 11.445 1.00 31.13 H new ATOM 0 HB3 PRO A 70 4.987 -4.594 11.645 1.00 31.13 H new ATOM 0 HG2 PRO A 70 7.176 -2.557 11.282 1.00 52.15 H new ATOM 0 HG3 PRO A 70 5.579 -2.598 10.560 1.00 52.15 H new ATOM 0 HD2 PRO A 70 6.180 -1.025 12.733 1.00 44.23 H new ATOM 0 HD3 PRO A 70 4.565 -1.636 12.431 1.00 44.23 H new ATOM 1114 N ARG A 71 7.805 -5.287 14.841 1.00 1.01 N ATOM 1115 CA ARG A 71 9.148 -5.615 15.328 1.00 5.32 C ATOM 1116 C ARG A 71 9.772 -6.778 14.535 1.00 54.05 C ATOM 1117 O ARG A 71 10.951 -6.735 14.177 1.00 53.23 O ATOM 1118 CB ARG A 71 9.102 -5.965 16.822 1.00 12.31 C ATOM 1119 CG ARG A 71 10.478 -6.208 17.440 1.00 53.52 C ATOM 1120 CD ARG A 71 11.341 -4.950 17.412 1.00 21.44 C ATOM 1121 NE ARG A 71 12.720 -5.227 17.804 1.00 32.41 N ATOM 1122 CZ ARG A 71 13.363 -4.596 18.746 1.00 44.45 C ATOM 1123 NH1 ARG A 71 12.795 -3.641 19.414 1.00 75.21 N ATOM 1124 NH2 ARG A 71 14.587 -4.915 19.005 1.00 1.44 N ATOM 0 H ARG A 71 7.051 -5.760 15.339 1.00 1.01 H new ATOM 0 HA ARG A 71 9.775 -4.735 15.182 1.00 5.32 H new ATOM 0 HB2 ARG A 71 8.610 -5.155 17.361 1.00 12.31 H new ATOM 0 HB3 ARG A 71 8.490 -6.857 16.958 1.00 12.31 H new ATOM 0 HG2 ARG A 71 10.360 -6.545 18.470 1.00 53.52 H new ATOM 0 HG3 ARG A 71 10.984 -7.008 16.899 1.00 53.52 H new ATOM 0 HD2 ARG A 71 11.327 -4.523 16.409 1.00 21.44 H new ATOM 0 HD3 ARG A 71 10.916 -4.203 18.083 1.00 21.44 H new ATOM 0 HE ARG A 71 13.215 -5.966 17.306 1.00 32.41 H new ATOM 0 HH11 ARG A 71 11.833 -3.375 19.205 1.00 75.21 H new ATOM 0 HH12 ARG A 71 13.310 -3.156 20.149 1.00 75.21 H new ATOM 0 HH21 ARG A 71 15.044 -5.656 18.474 1.00 1.44 H new ATOM 0 HH22 ARG A 71 15.097 -4.426 19.741 1.00 1.44 H new ATOM 1138 N SER A 72 8.983 -7.820 14.287 1.00 35.35 N ATOM 1139 CA SER A 72 9.445 -8.980 13.506 1.00 23.44 C ATOM 1140 C SER A 72 9.113 -8.828 12.017 1.00 20.23 C ATOM 1141 O SER A 72 8.154 -8.147 11.647 1.00 30.42 O ATOM 1142 CB SER A 72 8.802 -10.275 14.021 1.00 43.34 C ATOM 1143 OG SER A 72 9.158 -11.384 13.205 1.00 2.24 O ATOM 0 H SER A 72 8.019 -7.891 14.613 1.00 35.35 H new ATOM 0 HA SER A 72 10.527 -9.029 13.626 1.00 23.44 H new ATOM 0 HB2 SER A 72 9.119 -10.459 15.048 1.00 43.34 H new ATOM 0 HB3 SER A 72 7.718 -10.165 14.037 1.00 43.34 H new ATOM 0 HG SER A 72 8.737 -12.197 13.556 1.00 2.24 H new ATOM 1149 N GLU A 73 9.896 -9.492 11.167 1.00 32.30 N ATOM 1150 CA GLU A 73 9.650 -9.494 9.724 1.00 32.44 C ATOM 1151 C GLU A 73 8.250 -10.046 9.410 1.00 42.53 C ATOM 1152 O GLU A 73 7.556 -9.546 8.519 1.00 30.25 O ATOM 1153 CB GLU A 73 10.727 -10.326 9.012 1.00 24.04 C ATOM 1154 CG GLU A 73 10.602 -10.343 7.493 1.00 33.42 C ATOM 1155 CD GLU A 73 11.733 -11.104 6.821 1.00 72.51 C ATOM 1156 OE1 GLU A 73 12.881 -10.614 6.846 1.00 74.31 O ATOM 1157 OE2 GLU A 73 11.484 -12.200 6.271 1.00 52.30 O ATOM 0 H GLU A 73 10.709 -10.037 11.454 1.00 32.30 H new ATOM 0 HA GLU A 73 9.697 -8.467 9.361 1.00 32.44 H new ATOM 0 HB2 GLU A 73 11.708 -9.935 9.280 1.00 24.04 H new ATOM 0 HB3 GLU A 73 10.681 -11.351 9.380 1.00 24.04 H new ATOM 0 HG2 GLU A 73 9.650 -10.795 7.216 1.00 33.42 H new ATOM 0 HG3 GLU A 73 10.588 -9.318 7.122 1.00 33.42 H new ATOM 1164 N SER A 74 7.827 -11.060 10.171 1.00 41.52 N ATOM 1165 CA SER A 74 6.496 -11.660 9.997 1.00 53.53 C ATOM 1166 C SER A 74 5.385 -10.629 10.236 1.00 0.24 C ATOM 1167 O SER A 74 4.331 -10.684 9.602 1.00 35.10 O ATOM 1168 CB SER A 74 6.300 -12.856 10.941 1.00 61.55 C ATOM 1169 OG SER A 74 7.240 -13.885 10.674 1.00 4.21 O ATOM 0 H SER A 74 8.384 -11.484 10.913 1.00 41.52 H new ATOM 0 HA SER A 74 6.434 -12.010 8.966 1.00 53.53 H new ATOM 0 HB2 SER A 74 6.403 -12.526 11.975 1.00 61.55 H new ATOM 0 HB3 SER A 74 5.289 -13.247 10.830 1.00 61.55 H new ATOM 0 HG SER A 74 7.092 -14.632 11.291 1.00 4.21 H new ATOM 1175 N GLU A 75 5.635 -9.688 11.149 1.00 22.11 N ATOM 1176 CA GLU A 75 4.677 -8.616 11.445 1.00 33.50 C ATOM 1177 C GLU A 75 4.493 -7.686 10.234 1.00 52.41 C ATOM 1178 O GLU A 75 3.370 -7.458 9.782 1.00 13.11 O ATOM 1179 CB GLU A 75 5.145 -7.808 12.666 1.00 41.54 C ATOM 1180 CG GLU A 75 5.147 -8.598 13.975 1.00 5.22 C ATOM 1181 CD GLU A 75 5.654 -7.784 15.161 1.00 15.32 C ATOM 1182 OE1 GLU A 75 5.161 -6.661 15.373 1.00 74.11 O ATOM 1183 OE2 GLU A 75 6.548 -8.269 15.891 1.00 20.14 O ATOM 0 H GLU A 75 6.494 -9.645 11.698 1.00 22.11 H new ATOM 0 HA GLU A 75 3.714 -9.076 11.669 1.00 33.50 H new ATOM 0 HB2 GLU A 75 6.152 -7.436 12.477 1.00 41.54 H new ATOM 0 HB3 GLU A 75 4.500 -6.937 12.781 1.00 41.54 H new ATOM 0 HG2 GLU A 75 4.135 -8.945 14.185 1.00 5.22 H new ATOM 0 HG3 GLU A 75 5.770 -9.485 13.857 1.00 5.22 H new ATOM 1190 N CYS A 76 5.601 -7.161 9.703 1.00 74.13 N ATOM 1191 CA CYS A 76 5.555 -6.312 8.501 1.00 14.25 C ATOM 1192 C CYS A 76 4.832 -7.028 7.350 1.00 1.32 C ATOM 1193 O CYS A 76 3.959 -6.456 6.693 1.00 24.50 O ATOM 1194 CB CYS A 76 6.973 -5.925 8.056 1.00 14.32 C ATOM 1195 SG CYS A 76 7.898 -4.941 9.263 1.00 33.52 S ATOM 0 H CYS A 76 6.537 -7.306 10.081 1.00 74.13 H new ATOM 0 HA CYS A 76 5.002 -5.408 8.755 1.00 14.25 H new ATOM 0 HB2 CYS A 76 7.534 -6.835 7.842 1.00 14.32 H new ATOM 0 HB3 CYS A 76 6.907 -5.364 7.124 1.00 14.32 H new ATOM 0 HG CYS A 76 9.079 -4.672 8.790 1.00 33.52 H new ATOM 1201 N LEU A 77 5.195 -8.291 7.122 1.00 61.34 N ATOM 1202 CA LEU A 77 4.545 -9.114 6.091 1.00 45.01 C ATOM 1203 C LEU A 77 3.047 -9.305 6.388 1.00 23.30 C ATOM 1204 O LEU A 77 2.220 -9.298 5.477 1.00 62.31 O ATOM 1205 CB LEU A 77 5.240 -10.481 5.986 1.00 32.23 C ATOM 1206 CG LEU A 77 6.722 -10.438 5.574 1.00 2.44 C ATOM 1207 CD1 LEU A 77 7.323 -11.843 5.562 1.00 1.31 C ATOM 1208 CD2 LEU A 77 6.886 -9.770 4.211 1.00 33.54 C ATOM 0 H LEU A 77 5.935 -8.770 7.635 1.00 61.34 H new ATOM 0 HA LEU A 77 4.636 -8.591 5.139 1.00 45.01 H new ATOM 0 HB2 LEU A 77 5.163 -10.984 6.950 1.00 32.23 H new ATOM 0 HB3 LEU A 77 4.697 -11.091 5.264 1.00 32.23 H new ATOM 0 HG LEU A 77 7.261 -9.844 6.312 1.00 2.44 H new ATOM 0 HD11 LEU A 77 8.371 -11.788 5.268 1.00 1.31 H new ATOM 0 HD12 LEU A 77 7.248 -12.279 6.558 1.00 1.31 H new ATOM 0 HD13 LEU A 77 6.779 -12.465 4.851 1.00 1.31 H new ATOM 0 HD21 LEU A 77 7.942 -9.751 3.940 1.00 33.54 H new ATOM 0 HD22 LEU A 77 6.329 -10.332 3.461 1.00 33.54 H new ATOM 0 HD23 LEU A 77 6.505 -8.750 4.257 1.00 33.54 H new ATOM 1220 N SER A 78 2.705 -9.461 7.669 1.00 34.33 N ATOM 1221 CA SER A 78 1.305 -9.649 8.086 1.00 45.01 C ATOM 1222 C SER A 78 0.449 -8.435 7.711 1.00 61.32 C ATOM 1223 O SER A 78 -0.670 -8.580 7.215 1.00 75.23 O ATOM 1224 CB SER A 78 1.214 -9.897 9.601 1.00 45.01 C ATOM 1225 OG SER A 78 -0.119 -10.190 10.003 1.00 0.40 O ATOM 0 H SER A 78 3.375 -9.462 8.438 1.00 34.33 H new ATOM 0 HA SER A 78 0.922 -10.523 7.559 1.00 45.01 H new ATOM 0 HB2 SER A 78 1.868 -10.725 9.875 1.00 45.01 H new ATOM 0 HB3 SER A 78 1.572 -9.018 10.137 1.00 45.01 H new ATOM 0 HG SER A 78 -0.120 -10.499 10.933 1.00 0.40 H new ATOM 1231 N ASN A 79 0.987 -7.239 7.942 1.00 35.04 N ATOM 1232 CA ASN A 79 0.306 -5.993 7.571 1.00 22.02 C ATOM 1233 C ASN A 79 0.001 -5.960 6.065 1.00 25.02 C ATOM 1234 O ASN A 79 -1.116 -5.639 5.649 1.00 42.24 O ATOM 1235 CB ASN A 79 1.165 -4.783 7.962 1.00 3.44 C ATOM 1236 CG ASN A 79 1.516 -4.782 9.437 1.00 61.44 C ATOM 1237 OD1 ASN A 79 0.786 -5.315 10.259 1.00 13.34 O ATOM 1238 ND2 ASN A 79 2.637 -4.182 9.785 1.00 12.23 N ATOM 0 H ASN A 79 1.895 -7.103 8.386 1.00 35.04 H new ATOM 0 HA ASN A 79 -0.639 -5.948 8.112 1.00 22.02 H new ATOM 0 HB2 ASN A 79 2.082 -4.785 7.372 1.00 3.44 H new ATOM 0 HB3 ASN A 79 0.630 -3.865 7.717 1.00 3.44 H new ATOM 0 HD21 ASN A 79 2.917 -4.153 10.765 1.00 12.23 H new ATOM 0 HD22 ASN A 79 3.224 -3.746 9.074 1.00 12.23 H new ATOM 1245 N ILE A 80 1.000 -6.309 5.254 1.00 25.21 N ATOM 1246 CA ILE A 80 0.824 -6.391 3.800 1.00 54.23 C ATOM 1247 C ILE A 80 -0.233 -7.449 3.435 1.00 40.14 C ATOM 1248 O ILE A 80 -1.074 -7.231 2.563 1.00 72.31 O ATOM 1249 CB ILE A 80 2.159 -6.735 3.083 1.00 25.00 C ATOM 1250 CG1 ILE A 80 3.255 -5.719 3.458 1.00 21.53 C ATOM 1251 CG2 ILE A 80 1.961 -6.781 1.564 1.00 10.05 C ATOM 1252 CD1 ILE A 80 4.609 -6.021 2.842 1.00 72.31 C ATOM 0 H ILE A 80 1.940 -6.540 5.577 1.00 25.21 H new ATOM 0 HA ILE A 80 0.488 -5.410 3.463 1.00 54.23 H new ATOM 0 HB ILE A 80 2.480 -7.722 3.415 1.00 25.00 H new ATOM 0 HG12 ILE A 80 2.938 -4.724 3.144 1.00 21.53 H new ATOM 0 HG13 ILE A 80 3.358 -5.694 4.543 1.00 21.53 H new ATOM 0 HG21 ILE A 80 2.908 -7.023 1.081 1.00 10.05 H new ATOM 0 HG22 ILE A 80 1.222 -7.543 1.316 1.00 10.05 H new ATOM 0 HG23 ILE A 80 1.613 -5.810 1.213 1.00 10.05 H new ATOM 0 HD11 ILE A 80 5.327 -5.262 3.152 1.00 72.31 H new ATOM 0 HD12 ILE A 80 4.950 -7.001 3.175 1.00 72.31 H new ATOM 0 HD13 ILE A 80 4.523 -6.017 1.755 1.00 72.31 H new ATOM 1264 N ARG A 81 -0.192 -8.588 4.128 1.00 31.12 N ATOM 1265 CA ARG A 81 -1.149 -9.680 3.902 1.00 54.43 C ATOM 1266 C ARG A 81 -2.592 -9.262 4.245 1.00 43.12 C ATOM 1267 O ARG A 81 -3.544 -9.723 3.611 1.00 72.24 O ATOM 1268 CB ARG A 81 -0.749 -10.915 4.719 1.00 23.35 C ATOM 1269 CG ARG A 81 0.530 -11.594 4.228 1.00 55.22 C ATOM 1270 CD ARG A 81 0.978 -12.704 5.173 1.00 0.52 C ATOM 1271 NE ARG A 81 -0.113 -13.624 5.485 1.00 53.31 N ATOM 1272 CZ ARG A 81 -0.477 -13.945 6.694 1.00 10.44 C ATOM 1273 NH1 ARG A 81 0.196 -13.517 7.718 1.00 72.35 N ATOM 1274 NH2 ARG A 81 -1.501 -14.714 6.883 1.00 52.01 N ATOM 0 H ARG A 81 0.497 -8.782 4.855 1.00 31.12 H new ATOM 0 HA ARG A 81 -1.121 -9.924 2.840 1.00 54.43 H new ATOM 0 HB2 ARG A 81 -0.617 -10.622 5.761 1.00 23.35 H new ATOM 0 HB3 ARG A 81 -1.565 -11.637 4.692 1.00 23.35 H new ATOM 0 HG2 ARG A 81 0.363 -12.008 3.234 1.00 55.22 H new ATOM 0 HG3 ARG A 81 1.323 -10.852 4.136 1.00 55.22 H new ATOM 0 HD2 ARG A 81 1.801 -13.257 4.720 1.00 0.52 H new ATOM 0 HD3 ARG A 81 1.358 -12.265 6.095 1.00 0.52 H new ATOM 0 HE ARG A 81 -0.622 -14.042 4.706 1.00 53.31 H new ATOM 0 HH11 ARG A 81 1.015 -12.926 7.579 1.00 72.35 H new ATOM 0 HH12 ARG A 81 -0.094 -13.772 8.662 1.00 72.35 H new ATOM 0 HH21 ARG A 81 -2.025 -15.070 6.084 1.00 52.01 H new ATOM 0 HH22 ARG A 81 -1.783 -14.963 7.831 1.00 52.01 H new ATOM 1288 N GLU A 82 -2.754 -8.406 5.253 1.00 22.14 N ATOM 1289 CA GLU A 82 -4.074 -7.850 5.593 1.00 70.04 C ATOM 1290 C GLU A 82 -4.579 -6.901 4.492 1.00 52.32 C ATOM 1291 O GLU A 82 -5.770 -6.875 4.173 1.00 13.54 O ATOM 1292 CB GLU A 82 -4.024 -7.124 6.946 1.00 11.31 C ATOM 1293 CG GLU A 82 -3.980 -8.060 8.154 1.00 73.24 C ATOM 1294 CD GLU A 82 -5.248 -8.892 8.304 1.00 32.22 C ATOM 1295 OE1 GLU A 82 -6.278 -8.339 8.754 1.00 24.13 O ATOM 1296 OE2 GLU A 82 -5.227 -10.103 7.966 1.00 32.04 O ATOM 0 H GLU A 82 -1.994 -8.080 5.850 1.00 22.14 H new ATOM 0 HA GLU A 82 -4.776 -8.681 5.670 1.00 70.04 H new ATOM 0 HB2 GLU A 82 -3.146 -6.478 6.968 1.00 11.31 H new ATOM 0 HB3 GLU A 82 -4.897 -6.478 7.032 1.00 11.31 H new ATOM 0 HG2 GLU A 82 -3.123 -8.727 8.060 1.00 73.24 H new ATOM 0 HG3 GLU A 82 -3.828 -7.471 9.059 1.00 73.24 H new ATOM 1303 N PHE A 83 -3.667 -6.120 3.915 1.00 21.05 N ATOM 1304 CA PHE A 83 -3.993 -5.281 2.755 1.00 43.02 C ATOM 1305 C PHE A 83 -4.450 -6.154 1.572 1.00 50.54 C ATOM 1306 O PHE A 83 -5.493 -5.912 0.958 1.00 40.25 O ATOM 1307 CB PHE A 83 -2.773 -4.434 2.357 1.00 13.35 C ATOM 1308 CG PHE A 83 -2.981 -3.598 1.118 1.00 24.20 C ATOM 1309 CD1 PHE A 83 -3.768 -2.456 1.157 1.00 31.41 C ATOM 1310 CD2 PHE A 83 -2.387 -3.954 -0.087 1.00 34.25 C ATOM 1311 CE1 PHE A 83 -3.955 -1.687 0.025 1.00 34.14 C ATOM 1312 CE2 PHE A 83 -2.572 -3.187 -1.221 1.00 23.11 C ATOM 1313 CZ PHE A 83 -3.358 -2.052 -1.165 1.00 35.14 C ATOM 0 H PHE A 83 -2.699 -6.048 4.228 1.00 21.05 H new ATOM 0 HA PHE A 83 -4.811 -4.613 3.025 1.00 43.02 H new ATOM 0 HB2 PHE A 83 -2.514 -3.776 3.187 1.00 13.35 H new ATOM 0 HB3 PHE A 83 -1.921 -5.095 2.197 1.00 13.35 H new ATOM 0 HD1 PHE A 83 -4.240 -2.165 2.084 1.00 31.41 H new ATOM 0 HD2 PHE A 83 -1.773 -4.841 -0.137 1.00 34.25 H new ATOM 0 HE1 PHE A 83 -4.569 -0.800 0.071 1.00 34.14 H new ATOM 0 HE2 PHE A 83 -2.103 -3.474 -2.150 1.00 23.11 H new ATOM 0 HZ PHE A 83 -3.505 -1.452 -2.051 1.00 35.14 H new ATOM 1323 N LEU A 84 -3.657 -7.182 1.277 1.00 51.41 N ATOM 1324 CA LEU A 84 -3.982 -8.151 0.222 1.00 3.53 C ATOM 1325 C LEU A 84 -5.285 -8.900 0.543 1.00 51.13 C ATOM 1326 O LEU A 84 -6.027 -9.299 -0.358 1.00 11.41 O ATOM 1327 CB LEU A 84 -2.823 -9.146 0.055 1.00 33.51 C ATOM 1328 CG LEU A 84 -1.466 -8.506 -0.287 1.00 21.14 C ATOM 1329 CD1 LEU A 84 -0.355 -9.550 -0.265 1.00 31.24 C ATOM 1330 CD2 LEU A 84 -1.527 -7.801 -1.642 1.00 12.01 C ATOM 0 H LEU A 84 -2.776 -7.370 1.756 1.00 51.41 H new ATOM 0 HA LEU A 84 -4.128 -7.609 -0.712 1.00 3.53 H new ATOM 0 HB2 LEU A 84 -2.717 -9.717 0.978 1.00 33.51 H new ATOM 0 HB3 LEU A 84 -3.082 -9.855 -0.731 1.00 33.51 H new ATOM 0 HG LEU A 84 -1.240 -7.758 0.473 1.00 21.14 H new ATOM 0 HD11 LEU A 84 0.595 -9.075 -0.510 1.00 31.24 H new ATOM 0 HD12 LEU A 84 -0.293 -9.995 0.728 1.00 31.24 H new ATOM 0 HD13 LEU A 84 -0.572 -10.327 -0.998 1.00 31.24 H new ATOM 0 HD21 LEU A 84 -0.557 -7.355 -1.864 1.00 12.01 H new ATOM 0 HD22 LEU A 84 -1.780 -8.524 -2.417 1.00 12.01 H new ATOM 0 HD23 LEU A 84 -2.287 -7.020 -1.612 1.00 12.01 H new ATOM 1342 N ARG A 85 -5.553 -9.081 1.837 1.00 34.52 N ATOM 1343 CA ARG A 85 -6.792 -9.709 2.308 1.00 11.31 C ATOM 1344 C ARG A 85 -8.018 -8.939 1.795 1.00 1.31 C ATOM 1345 O ARG A 85 -8.860 -9.483 1.083 1.00 60.02 O ATOM 1346 CB ARG A 85 -6.819 -9.732 3.847 1.00 41.32 C ATOM 1347 CG ARG A 85 -7.921 -10.607 4.449 1.00 34.32 C ATOM 1348 CD ARG A 85 -7.414 -12.007 4.775 1.00 71.45 C ATOM 1349 NE ARG A 85 -6.379 -11.974 5.810 1.00 53.35 N ATOM 1350 CZ ARG A 85 -5.616 -12.982 6.127 1.00 13.12 C ATOM 1351 NH1 ARG A 85 -5.689 -14.103 5.484 1.00 10.32 N ATOM 1352 NH2 ARG A 85 -4.761 -12.855 7.086 1.00 11.40 N ATOM 0 H ARG A 85 -4.922 -8.798 2.587 1.00 34.52 H new ATOM 0 HA ARG A 85 -6.824 -10.729 1.924 1.00 11.31 H new ATOM 0 HB2 ARG A 85 -5.854 -10.085 4.210 1.00 41.32 H new ATOM 0 HB3 ARG A 85 -6.943 -8.712 4.211 1.00 41.32 H new ATOM 0 HG2 ARG A 85 -8.303 -10.138 5.356 1.00 34.32 H new ATOM 0 HG3 ARG A 85 -8.754 -10.675 3.750 1.00 34.32 H new ATOM 0 HD2 ARG A 85 -8.245 -12.628 5.110 1.00 71.45 H new ATOM 0 HD3 ARG A 85 -7.014 -12.470 3.873 1.00 71.45 H new ATOM 0 HE ARG A 85 -6.246 -11.100 6.319 1.00 53.35 H new ATOM 0 HH11 ARG A 85 -6.351 -14.208 4.716 1.00 10.32 H new ATOM 0 HH12 ARG A 85 -5.084 -14.881 5.746 1.00 10.32 H new ATOM 0 HH21 ARG A 85 -4.687 -11.971 7.589 1.00 11.40 H new ATOM 0 HH22 ARG A 85 -4.160 -13.639 7.341 1.00 11.40 H new ATOM 1366 N GLY A 86 -8.094 -7.659 2.155 1.00 75.43 N ATOM 1367 CA GLY A 86 -9.231 -6.833 1.766 1.00 43.01 C ATOM 1368 C GLY A 86 -9.350 -6.626 0.261 1.00 13.20 C ATOM 1369 O GLY A 86 -10.419 -6.837 -0.319 1.00 64.12 O ATOM 0 H GLY A 86 -7.388 -7.176 2.710 1.00 75.43 H new ATOM 0 HA2 GLY A 86 -10.147 -7.295 2.134 1.00 43.01 H new ATOM 0 HA3 GLY A 86 -9.146 -5.861 2.252 1.00 43.01 H new ATOM 1373 N CYS A 87 -8.254 -6.214 -0.376 1.00 41.42 N ATOM 1374 CA CYS A 87 -8.233 -6.008 -1.832 1.00 45.45 C ATOM 1375 C CYS A 87 -8.641 -7.282 -2.588 1.00 44.33 C ATOM 1376 O CYS A 87 -9.265 -7.220 -3.647 1.00 73.21 O ATOM 1377 CB CYS A 87 -6.840 -5.558 -2.288 1.00 1.03 C ATOM 1378 SG CYS A 87 -6.303 -3.982 -1.579 1.00 62.41 S ATOM 0 H CYS A 87 -7.368 -6.015 0.089 1.00 41.42 H new ATOM 0 HA CYS A 87 -8.959 -5.228 -2.064 1.00 45.45 H new ATOM 0 HB2 CYS A 87 -6.116 -6.329 -2.023 1.00 1.03 H new ATOM 0 HB3 CYS A 87 -6.834 -5.476 -3.375 1.00 1.03 H new ATOM 0 HG CYS A 87 -5.011 -3.878 -1.681 1.00 62.41 H new ATOM 1384 N GLY A 88 -8.285 -8.435 -2.027 1.00 21.42 N ATOM 1385 CA GLY A 88 -8.620 -9.718 -2.637 1.00 22.25 C ATOM 1386 C GLY A 88 -9.999 -10.255 -2.238 1.00 25.31 C ATOM 1387 O GLY A 88 -10.592 -11.039 -2.970 1.00 73.10 O ATOM 0 H GLY A 88 -7.765 -8.507 -1.152 1.00 21.42 H new ATOM 0 HA2 GLY A 88 -8.581 -9.615 -3.721 1.00 22.25 H new ATOM 0 HA3 GLY A 88 -7.862 -10.450 -2.359 1.00 22.25 H new ATOM 1391 N ALA A 89 -10.506 -9.851 -1.070 1.00 11.52 N ATOM 1392 CA ALA A 89 -11.822 -10.317 -0.589 1.00 4.41 C ATOM 1393 C ALA A 89 -12.969 -9.364 -0.978 1.00 75.32 C ATOM 1394 O ALA A 89 -13.931 -9.762 -1.640 1.00 21.24 O ATOM 1395 CB ALA A 89 -11.791 -10.508 0.924 1.00 21.53 C ATOM 0 H ALA A 89 -10.032 -9.205 -0.438 1.00 11.52 H new ATOM 0 HA ALA A 89 -12.019 -11.271 -1.077 1.00 4.41 H new ATOM 0 HB1 ALA A 89 -12.767 -10.852 1.267 1.00 21.53 H new ATOM 0 HB2 ALA A 89 -11.034 -11.249 1.182 1.00 21.53 H new ATOM 0 HB3 ALA A 89 -11.550 -9.560 1.406 1.00 21.53 H new ATOM 1401 N SER A 90 -12.869 -8.107 -0.543 1.00 2.13 N ATOM 1402 CA SER A 90 -13.923 -7.102 -0.783 1.00 42.01 C ATOM 1403 C SER A 90 -13.965 -6.663 -2.254 1.00 62.33 C ATOM 1404 O SER A 90 -15.037 -6.531 -2.851 1.00 72.13 O ATOM 1405 CB SER A 90 -13.703 -5.872 0.114 1.00 50.41 C ATOM 1406 OG SER A 90 -14.728 -4.905 -0.058 1.00 5.54 O ATOM 0 H SER A 90 -12.068 -7.753 -0.020 1.00 2.13 H new ATOM 0 HA SER A 90 -14.878 -7.568 -0.539 1.00 42.01 H new ATOM 0 HB2 SER A 90 -13.669 -6.184 1.158 1.00 50.41 H new ATOM 0 HB3 SER A 90 -12.737 -5.423 -0.116 1.00 50.41 H new ATOM 0 HG SER A 90 -14.648 -4.217 0.635 1.00 5.54 H new ATOM 1412 N LEU A 91 -12.789 -6.435 -2.830 1.00 71.21 N ATOM 1413 CA LEU A 91 -12.675 -5.961 -4.216 1.00 21.31 C ATOM 1414 C LEU A 91 -12.357 -7.102 -5.197 1.00 51.10 C ATOM 1415 O LEU A 91 -12.842 -7.106 -6.332 1.00 35.03 O ATOM 1416 CB LEU A 91 -11.589 -4.879 -4.293 1.00 41.23 C ATOM 1417 CG LEU A 91 -11.927 -3.569 -3.562 1.00 52.32 C ATOM 1418 CD1 LEU A 91 -10.681 -2.711 -3.384 1.00 20.04 C ATOM 1419 CD2 LEU A 91 -13.003 -2.798 -4.326 1.00 43.32 C ATOM 0 H LEU A 91 -11.894 -6.570 -2.360 1.00 71.21 H new ATOM 0 HA LEU A 91 -13.639 -5.547 -4.510 1.00 21.31 H new ATOM 0 HB2 LEU A 91 -10.665 -5.282 -3.878 1.00 41.23 H new ATOM 0 HB3 LEU A 91 -11.395 -4.653 -5.342 1.00 41.23 H new ATOM 0 HG LEU A 91 -12.312 -3.818 -2.573 1.00 52.32 H new ATOM 0 HD11 LEU A 91 -10.945 -1.790 -2.865 1.00 20.04 H new ATOM 0 HD12 LEU A 91 -9.943 -3.259 -2.799 1.00 20.04 H new ATOM 0 HD13 LEU A 91 -10.263 -2.470 -4.361 1.00 20.04 H new ATOM 0 HD21 LEU A 91 -13.232 -1.873 -3.797 1.00 43.32 H new ATOM 0 HD22 LEU A 91 -12.641 -2.564 -5.327 1.00 43.32 H new ATOM 0 HD23 LEU A 91 -13.904 -3.407 -4.399 1.00 43.32 H new ATOM 1431 N ARG A 92 -11.538 -8.059 -4.753 1.00 1.44 N ATOM 1432 CA ARG A 92 -11.116 -9.198 -5.587 1.00 42.31 C ATOM 1433 C ARG A 92 -10.412 -8.719 -6.868 1.00 15.52 C ATOM 1434 O ARG A 92 -10.730 -9.150 -7.977 1.00 73.11 O ATOM 1435 CB ARG A 92 -12.315 -10.109 -5.912 1.00 61.02 C ATOM 1436 CG ARG A 92 -13.058 -10.573 -4.661 1.00 41.41 C ATOM 1437 CD ARG A 92 -14.060 -11.691 -4.933 1.00 72.51 C ATOM 1438 NE ARG A 92 -14.806 -12.038 -3.720 1.00 13.24 N ATOM 1439 CZ ARG A 92 -15.239 -13.235 -3.421 1.00 10.31 C ATOM 1440 NH1 ARG A 92 -15.039 -14.235 -4.217 1.00 71.24 N ATOM 1441 NH2 ARG A 92 -15.882 -13.427 -2.313 1.00 65.24 N ATOM 0 H ARG A 92 -11.148 -8.071 -3.811 1.00 1.44 H new ATOM 0 HA ARG A 92 -10.394 -9.784 -5.019 1.00 42.31 H new ATOM 0 HB2 ARG A 92 -13.007 -9.574 -6.563 1.00 61.02 H new ATOM 0 HB3 ARG A 92 -11.965 -10.980 -6.466 1.00 61.02 H new ATOM 0 HG2 ARG A 92 -12.333 -10.916 -3.923 1.00 41.41 H new ATOM 0 HG3 ARG A 92 -13.582 -9.724 -4.222 1.00 41.41 H new ATOM 0 HD2 ARG A 92 -14.754 -11.380 -5.714 1.00 72.51 H new ATOM 0 HD3 ARG A 92 -13.535 -12.571 -5.305 1.00 72.51 H new ATOM 0 HE ARG A 92 -15.003 -11.288 -3.058 1.00 13.24 H new ATOM 0 HH11 ARG A 92 -14.536 -14.096 -5.094 1.00 71.24 H new ATOM 0 HH12 ARG A 92 -15.384 -15.162 -3.968 1.00 71.24 H new ATOM 0 HH21 ARG A 92 -16.049 -12.646 -1.678 1.00 65.24 H new ATOM 0 HH22 ARG A 92 -16.222 -14.359 -2.075 1.00 65.24 H new ATOM 1455 N LEU A 93 -9.442 -7.819 -6.693 1.00 21.42 N ATOM 1456 CA LEU A 93 -8.688 -7.238 -7.815 1.00 52.42 C ATOM 1457 C LEU A 93 -7.279 -7.847 -7.937 1.00 34.14 C ATOM 1458 O LEU A 93 -6.881 -8.684 -7.127 1.00 23.42 O ATOM 1459 CB LEU A 93 -8.613 -5.703 -7.651 1.00 50.43 C ATOM 1460 CG LEU A 93 -8.067 -5.186 -6.299 1.00 72.13 C ATOM 1461 CD1 LEU A 93 -6.542 -5.201 -6.259 1.00 74.53 C ATOM 1462 CD2 LEU A 93 -8.587 -3.784 -6.002 1.00 22.13 C ATOM 0 H LEU A 93 -9.156 -7.472 -5.778 1.00 21.42 H new ATOM 0 HA LEU A 93 -9.216 -7.475 -8.739 1.00 52.42 H new ATOM 0 HB2 LEU A 93 -7.987 -5.304 -8.449 1.00 50.43 H new ATOM 0 HB3 LEU A 93 -9.613 -5.294 -7.796 1.00 50.43 H new ATOM 0 HG LEU A 93 -8.428 -5.866 -5.528 1.00 72.13 H new ATOM 0 HD11 LEU A 93 -6.200 -4.831 -5.293 1.00 74.53 H new ATOM 0 HD12 LEU A 93 -6.184 -6.220 -6.404 1.00 74.53 H new ATOM 0 HD13 LEU A 93 -6.151 -4.563 -7.051 1.00 74.53 H new ATOM 0 HD21 LEU A 93 -8.189 -3.443 -5.046 1.00 22.13 H new ATOM 0 HD22 LEU A 93 -8.269 -3.103 -6.791 1.00 22.13 H new ATOM 0 HD23 LEU A 93 -9.676 -3.802 -5.956 1.00 22.13 H new ATOM 1474 N GLU A 94 -6.528 -7.419 -8.955 1.00 15.05 N ATOM 1475 CA GLU A 94 -5.157 -7.909 -9.175 1.00 71.35 C ATOM 1476 C GLU A 94 -4.236 -7.579 -7.980 1.00 52.30 C ATOM 1477 O GLU A 94 -3.973 -6.414 -7.671 1.00 30.45 O ATOM 1478 CB GLU A 94 -4.590 -7.331 -10.485 1.00 13.22 C ATOM 1479 CG GLU A 94 -4.574 -5.806 -10.550 1.00 41.22 C ATOM 1480 CD GLU A 94 -4.171 -5.278 -11.921 1.00 4.10 C ATOM 1481 OE1 GLU A 94 -2.993 -5.429 -12.305 1.00 12.23 O ATOM 1482 OE2 GLU A 94 -5.038 -4.719 -12.627 1.00 74.44 O ATOM 0 H GLU A 94 -6.843 -6.734 -9.642 1.00 15.05 H new ATOM 0 HA GLU A 94 -5.196 -8.995 -9.260 1.00 71.35 H new ATOM 0 HB2 GLU A 94 -3.573 -7.698 -10.619 1.00 13.22 H new ATOM 0 HB3 GLU A 94 -5.179 -7.711 -11.320 1.00 13.22 H new ATOM 0 HG2 GLU A 94 -5.563 -5.426 -10.296 1.00 41.22 H new ATOM 0 HG3 GLU A 94 -3.882 -5.422 -9.800 1.00 41.22 H new ATOM 1489 N THR A 95 -3.752 -8.623 -7.305 1.00 63.32 N ATOM 1490 CA THR A 95 -2.953 -8.464 -6.080 1.00 15.31 C ATOM 1491 C THR A 95 -1.497 -8.912 -6.266 1.00 3.40 C ATOM 1492 O THR A 95 -1.177 -9.704 -7.155 1.00 5.43 O ATOM 1493 CB THR A 95 -3.555 -9.274 -4.903 1.00 24.45 C ATOM 1494 OG1 THR A 95 -3.603 -10.672 -5.237 1.00 25.25 O ATOM 1495 CG2 THR A 95 -4.956 -8.782 -4.548 1.00 63.35 C ATOM 0 H THR A 95 -3.898 -9.593 -7.584 1.00 63.32 H new ATOM 0 HA THR A 95 -2.973 -7.398 -5.855 1.00 15.31 H new ATOM 0 HB THR A 95 -2.912 -9.128 -4.035 1.00 24.45 H new ATOM 0 HG1 THR A 95 -3.983 -11.175 -4.487 1.00 25.25 H new ATOM 0 HG21 THR A 95 -5.349 -9.371 -3.719 1.00 63.35 H new ATOM 0 HG22 THR A 95 -4.910 -7.732 -4.258 1.00 63.35 H new ATOM 0 HG23 THR A 95 -5.610 -8.891 -5.413 1.00 63.35 H new ATOM 1503 N PHE A 96 -0.619 -8.397 -5.408 1.00 11.31 N ATOM 1504 CA PHE A 96 0.785 -8.826 -5.356 1.00 22.41 C ATOM 1505 C PHE A 96 1.032 -9.702 -4.115 1.00 24.24 C ATOM 1506 O PHE A 96 0.109 -9.971 -3.345 1.00 12.41 O ATOM 1507 CB PHE A 96 1.716 -7.601 -5.342 1.00 60.32 C ATOM 1508 CG PHE A 96 1.476 -6.656 -4.184 1.00 64.50 C ATOM 1509 CD1 PHE A 96 0.480 -5.689 -4.252 1.00 2.45 C ATOM 1510 CD2 PHE A 96 2.249 -6.731 -3.031 1.00 22.30 C ATOM 1511 CE1 PHE A 96 0.261 -4.822 -3.198 1.00 62.34 C ATOM 1512 CE2 PHE A 96 2.031 -5.867 -1.975 1.00 11.53 C ATOM 1513 CZ PHE A 96 1.037 -4.909 -2.058 1.00 4.12 C ATOM 0 H PHE A 96 -0.855 -7.673 -4.730 1.00 11.31 H new ATOM 0 HA PHE A 96 1.002 -9.418 -6.245 1.00 22.41 H new ATOM 0 HB2 PHE A 96 2.750 -7.944 -5.309 1.00 60.32 H new ATOM 0 HB3 PHE A 96 1.592 -7.053 -6.276 1.00 60.32 H new ATOM 0 HD1 PHE A 96 -0.131 -5.614 -5.140 1.00 2.45 H new ATOM 0 HD2 PHE A 96 3.030 -7.474 -2.960 1.00 22.30 H new ATOM 0 HE1 PHE A 96 -0.517 -4.076 -3.266 1.00 62.34 H new ATOM 0 HE2 PHE A 96 2.637 -5.940 -1.084 1.00 11.53 H new ATOM 0 HZ PHE A 96 0.868 -4.231 -1.234 1.00 4.12 H new ATOM 1523 N ASP A 97 2.265 -10.167 -3.935 1.00 13.32 N ATOM 1524 CA ASP A 97 2.632 -10.921 -2.733 1.00 44.43 C ATOM 1525 C ASP A 97 3.522 -10.068 -1.809 1.00 31.44 C ATOM 1526 O ASP A 97 4.242 -9.179 -2.272 1.00 3.32 O ATOM 1527 CB ASP A 97 3.346 -12.220 -3.122 1.00 61.43 C ATOM 1528 CG ASP A 97 3.648 -13.101 -1.924 1.00 20.33 C ATOM 1529 OD1 ASP A 97 2.789 -13.926 -1.554 1.00 61.04 O ATOM 1530 OD2 ASP A 97 4.741 -12.965 -1.340 1.00 23.24 O ATOM 0 H ASP A 97 3.026 -10.037 -4.601 1.00 13.32 H new ATOM 0 HA ASP A 97 1.722 -11.174 -2.189 1.00 44.43 H new ATOM 0 HB2 ASP A 97 2.727 -12.773 -3.828 1.00 61.43 H new ATOM 0 HB3 ASP A 97 4.277 -11.979 -3.635 1.00 61.43 H new ATOM 1535 N ALA A 98 3.466 -10.342 -0.506 1.00 55.01 N ATOM 1536 CA ALA A 98 4.232 -9.577 0.486 1.00 72.14 C ATOM 1537 C ALA A 98 5.733 -9.520 0.149 1.00 2.42 C ATOM 1538 O ALA A 98 6.388 -8.497 0.361 1.00 22.31 O ATOM 1539 CB ALA A 98 4.020 -10.166 1.876 1.00 41.42 C ATOM 0 H ALA A 98 2.897 -11.090 -0.109 1.00 55.01 H new ATOM 0 HA ALA A 98 3.862 -8.552 0.466 1.00 72.14 H new ATOM 0 HB1 ALA A 98 4.592 -9.592 2.605 1.00 41.42 H new ATOM 0 HB2 ALA A 98 2.961 -10.124 2.131 1.00 41.42 H new ATOM 0 HB3 ALA A 98 4.355 -11.203 1.887 1.00 41.42 H new ATOM 1545 N ASN A 99 6.269 -10.616 -0.389 1.00 71.33 N ATOM 1546 CA ASN A 99 7.689 -10.686 -0.763 1.00 44.42 C ATOM 1547 C ASN A 99 8.035 -9.703 -1.899 1.00 41.25 C ATOM 1548 O ASN A 99 9.112 -9.098 -1.895 1.00 75.23 O ATOM 1549 CB ASN A 99 8.059 -12.122 -1.162 1.00 44.32 C ATOM 1550 CG ASN A 99 8.085 -13.063 0.034 1.00 31.32 C ATOM 1551 OD1 ASN A 99 7.058 -13.580 0.461 1.00 74.32 O ATOM 1552 ND2 ASN A 99 9.262 -13.306 0.576 1.00 20.34 N ATOM 0 H ASN A 99 5.744 -11.470 -0.577 1.00 71.33 H new ATOM 0 HA ASN A 99 8.276 -10.393 0.107 1.00 44.42 H new ATOM 0 HB2 ASN A 99 7.342 -12.490 -1.896 1.00 44.32 H new ATOM 0 HB3 ASN A 99 9.037 -12.123 -1.644 1.00 44.32 H new ATOM 0 HD21 ASN A 99 9.336 -13.939 1.372 1.00 20.34 H new ATOM 0 HD22 ASN A 99 10.099 -12.861 0.199 1.00 20.34 H new ATOM 1559 N ASP A 100 7.113 -9.528 -2.854 1.00 61.15 N ATOM 1560 CA ASP A 100 7.328 -8.602 -3.978 1.00 33.13 C ATOM 1561 C ASP A 100 7.638 -7.183 -3.479 1.00 51.23 C ATOM 1562 O ASP A 100 8.621 -6.561 -3.895 1.00 43.15 O ATOM 1563 CB ASP A 100 6.095 -8.563 -4.898 1.00 55.03 C ATOM 1564 CG ASP A 100 5.869 -9.864 -5.648 1.00 41.02 C ATOM 1565 OD1 ASP A 100 6.750 -10.258 -6.435 1.00 3.41 O ATOM 1566 OD2 ASP A 100 4.797 -10.486 -5.485 1.00 1.43 O ATOM 0 H ASP A 100 6.215 -10.012 -2.873 1.00 61.15 H new ATOM 0 HA ASP A 100 8.185 -8.970 -4.542 1.00 33.13 H new ATOM 0 HB2 ASP A 100 5.211 -8.336 -4.302 1.00 55.03 H new ATOM 0 HB3 ASP A 100 6.211 -7.752 -5.617 1.00 55.03 H new ATOM 1571 N LEU A 101 6.796 -6.686 -2.577 1.00 74.43 N ATOM 1572 CA LEU A 101 6.928 -5.324 -2.049 1.00 63.02 C ATOM 1573 C LEU A 101 8.024 -5.220 -0.977 1.00 73.12 C ATOM 1574 O LEU A 101 8.915 -4.374 -1.068 1.00 71.34 O ATOM 1575 CB LEU A 101 5.590 -4.861 -1.455 1.00 51.34 C ATOM 1576 CG LEU A 101 5.608 -3.488 -0.760 1.00 0.51 C ATOM 1577 CD1 LEU A 101 6.038 -2.384 -1.724 1.00 24.01 C ATOM 1578 CD2 LEU A 101 4.242 -3.178 -0.160 1.00 13.54 C ATOM 0 H LEU A 101 6.009 -7.208 -2.192 1.00 74.43 H new ATOM 0 HA LEU A 101 7.213 -4.681 -2.882 1.00 63.02 H new ATOM 0 HB2 LEU A 101 4.849 -4.834 -2.254 1.00 51.34 H new ATOM 0 HB3 LEU A 101 5.255 -5.608 -0.735 1.00 51.34 H new ATOM 0 HG LEU A 101 6.341 -3.528 0.046 1.00 0.51 H new ATOM 0 HD11 LEU A 101 6.041 -1.427 -1.203 1.00 24.01 H new ATOM 0 HD12 LEU A 101 7.040 -2.597 -2.097 1.00 24.01 H new ATOM 0 HD13 LEU A 101 5.341 -2.340 -2.561 1.00 24.01 H new ATOM 0 HD21 LEU A 101 4.271 -2.204 0.328 1.00 13.54 H new ATOM 0 HD22 LEU A 101 3.492 -3.165 -0.951 1.00 13.54 H new ATOM 0 HD23 LEU A 101 3.984 -3.943 0.573 1.00 13.54 H new ATOM 1590 N TYR A 102 7.958 -6.092 0.027 1.00 13.34 N ATOM 1591 CA TYR A 102 8.875 -6.032 1.173 1.00 72.24 C ATOM 1592 C TYR A 102 10.349 -6.087 0.739 1.00 32.40 C ATOM 1593 O TYR A 102 11.190 -5.359 1.267 1.00 43.51 O ATOM 1594 CB TYR A 102 8.571 -7.174 2.152 1.00 20.11 C ATOM 1595 CG TYR A 102 9.355 -7.094 3.451 1.00 44.01 C ATOM 1596 CD1 TYR A 102 8.980 -6.206 4.455 1.00 44.23 C ATOM 1597 CD2 TYR A 102 10.467 -7.901 3.674 1.00 14.11 C ATOM 1598 CE1 TYR A 102 9.685 -6.126 5.639 1.00 12.00 C ATOM 1599 CE2 TYR A 102 11.177 -7.825 4.856 1.00 71.44 C ATOM 1600 CZ TYR A 102 10.784 -6.935 5.836 1.00 75.22 C ATOM 1601 OH TYR A 102 11.485 -6.859 7.018 1.00 31.33 O ATOM 0 H TYR A 102 7.279 -6.852 0.074 1.00 13.34 H new ATOM 0 HA TYR A 102 8.716 -5.074 1.668 1.00 72.24 H new ATOM 0 HB2 TYR A 102 7.505 -7.170 2.381 1.00 20.11 H new ATOM 0 HB3 TYR A 102 8.789 -8.125 1.665 1.00 20.11 H new ATOM 0 HD1 TYR A 102 8.122 -5.568 4.305 1.00 44.23 H new ATOM 0 HD2 TYR A 102 10.780 -8.598 2.910 1.00 14.11 H new ATOM 0 HE1 TYR A 102 9.377 -5.433 6.408 1.00 12.00 H new ATOM 0 HE2 TYR A 102 12.037 -8.459 5.013 1.00 71.44 H new ATOM 0 HH TYR A 102 12.230 -7.495 6.998 1.00 31.33 H new ATOM 1611 N GLN A 103 10.659 -6.954 -0.225 1.00 14.20 N ATOM 1612 CA GLN A 103 12.032 -7.081 -0.735 1.00 61.22 C ATOM 1613 C GLN A 103 12.288 -6.156 -1.935 1.00 25.30 C ATOM 1614 O GLN A 103 13.401 -6.096 -2.453 1.00 72.03 O ATOM 1615 CB GLN A 103 12.328 -8.539 -1.118 1.00 0.14 C ATOM 1616 CG GLN A 103 12.299 -9.508 0.062 1.00 32.43 C ATOM 1617 CD GLN A 103 13.288 -9.140 1.161 1.00 63.15 C ATOM 1618 OE1 GLN A 103 14.323 -8.529 0.910 1.00 35.45 O ATOM 1619 NE2 GLN A 103 12.992 -9.526 2.384 1.00 64.20 N ATOM 0 H GLN A 103 9.985 -7.577 -0.669 1.00 14.20 H new ATOM 0 HA GLN A 103 12.705 -6.775 0.066 1.00 61.22 H new ATOM 0 HB2 GLN A 103 11.599 -8.864 -1.860 1.00 0.14 H new ATOM 0 HB3 GLN A 103 13.309 -8.588 -1.591 1.00 0.14 H new ATOM 0 HG2 GLN A 103 11.293 -9.532 0.480 1.00 32.43 H new ATOM 0 HG3 GLN A 103 12.520 -10.514 -0.296 1.00 32.43 H new ATOM 0 HE21 GLN A 103 12.125 -10.032 2.563 1.00 64.20 H new ATOM 0 HE22 GLN A 103 13.630 -9.319 3.153 1.00 64.20 H new ATOM 1628 N GLY A 104 11.253 -5.438 -2.375 1.00 33.51 N ATOM 1629 CA GLY A 104 11.398 -4.495 -3.483 1.00 60.10 C ATOM 1630 C GLY A 104 11.762 -5.154 -4.812 1.00 42.54 C ATOM 1631 O GLY A 104 12.356 -4.517 -5.685 1.00 2.21 O ATOM 0 H GLY A 104 10.312 -5.491 -1.984 1.00 33.51 H new ATOM 0 HA2 GLY A 104 10.464 -3.946 -3.605 1.00 60.10 H new ATOM 0 HA3 GLY A 104 12.166 -3.765 -3.228 1.00 60.10 H new ATOM 1635 N GLN A 105 11.391 -6.422 -4.972 1.00 71.13 N ATOM 1636 CA GLN A 105 11.698 -7.176 -6.193 1.00 51.42 C ATOM 1637 C GLN A 105 10.820 -6.721 -7.368 1.00 43.21 C ATOM 1638 O GLN A 105 11.321 -6.261 -8.397 1.00 41.54 O ATOM 1639 CB GLN A 105 11.511 -8.680 -5.951 1.00 40.33 C ATOM 1640 CG GLN A 105 12.457 -9.263 -4.904 1.00 11.45 C ATOM 1641 CD GLN A 105 13.922 -9.135 -5.298 1.00 45.13 C ATOM 1642 OE1 GLN A 105 14.587 -8.154 -4.975 1.00 51.44 O ATOM 1643 NE2 GLN A 105 14.432 -10.120 -6.011 1.00 53.32 N ATOM 0 H GLN A 105 10.875 -6.954 -4.271 1.00 71.13 H new ATOM 0 HA GLN A 105 12.739 -6.980 -6.452 1.00 51.42 H new ATOM 0 HB2 GLN A 105 10.483 -8.862 -5.638 1.00 40.33 H new ATOM 0 HB3 GLN A 105 11.656 -9.210 -6.892 1.00 40.33 H new ATOM 0 HG2 GLN A 105 12.296 -8.756 -3.952 1.00 11.45 H new ATOM 0 HG3 GLN A 105 12.217 -10.315 -4.750 1.00 11.45 H new ATOM 0 HE21 GLN A 105 13.852 -10.921 -6.262 1.00 53.32 H new ATOM 0 HE22 GLN A 105 15.406 -10.081 -6.311 1.00 53.32 H new ATOM 1652 N ASN A 106 9.508 -6.853 -7.207 1.00 50.11 N ATOM 1653 CA ASN A 106 8.553 -6.449 -8.245 1.00 13.13 C ATOM 1654 C ASN A 106 7.679 -5.278 -7.782 1.00 21.13 C ATOM 1655 O ASN A 106 6.574 -5.479 -7.270 1.00 44.12 O ATOM 1656 CB ASN A 106 7.657 -7.629 -8.639 1.00 70.35 C ATOM 1657 CG ASN A 106 8.410 -8.759 -9.314 1.00 31.24 C ATOM 1658 OD1 ASN A 106 9.399 -8.546 -10.013 1.00 44.13 O ATOM 1659 ND2 ASN A 106 7.948 -9.973 -9.108 1.00 32.54 N ATOM 0 H ASN A 106 9.076 -7.237 -6.367 1.00 50.11 H new ATOM 0 HA ASN A 106 9.132 -6.126 -9.110 1.00 13.13 H new ATOM 0 HB2 ASN A 106 7.163 -8.014 -7.747 1.00 70.35 H new ATOM 0 HB3 ASN A 106 6.874 -7.273 -9.309 1.00 70.35 H new ATOM 0 HD21 ASN A 106 8.413 -10.775 -9.534 1.00 32.54 H new ATOM 0 HD22 ASN A 106 7.125 -10.113 -8.522 1.00 32.54 H new ATOM 1666 N PHE A 107 8.174 -4.054 -7.956 1.00 64.14 N ATOM 1667 CA PHE A 107 7.398 -2.866 -7.596 1.00 23.31 C ATOM 1668 C PHE A 107 6.275 -2.625 -8.616 1.00 24.21 C ATOM 1669 O PHE A 107 5.231 -2.074 -8.280 1.00 33.43 O ATOM 1670 CB PHE A 107 8.299 -1.627 -7.495 1.00 2.32 C ATOM 1671 CG PHE A 107 7.560 -0.387 -7.052 1.00 74.41 C ATOM 1672 CD1 PHE A 107 7.167 -0.237 -5.729 1.00 45.43 C ATOM 1673 CD2 PHE A 107 7.246 0.618 -7.957 1.00 10.43 C ATOM 1674 CE1 PHE A 107 6.478 0.889 -5.319 1.00 64.51 C ATOM 1675 CE2 PHE A 107 6.559 1.745 -7.549 1.00 64.10 C ATOM 1676 CZ PHE A 107 6.174 1.879 -6.230 1.00 43.24 C ATOM 0 H PHE A 107 9.099 -3.858 -8.340 1.00 64.14 H new ATOM 0 HA PHE A 107 6.951 -3.043 -6.618 1.00 23.31 H new ATOM 0 HB2 PHE A 107 9.108 -1.830 -6.793 1.00 2.32 H new ATOM 0 HB3 PHE A 107 8.759 -1.440 -8.465 1.00 2.32 H new ATOM 0 HD1 PHE A 107 7.402 -1.009 -5.012 1.00 45.43 H new ATOM 0 HD2 PHE A 107 7.542 0.518 -8.991 1.00 10.43 H new ATOM 0 HE1 PHE A 107 6.178 0.993 -4.287 1.00 64.51 H new ATOM 0 HE2 PHE A 107 6.323 2.521 -8.262 1.00 64.10 H new ATOM 0 HZ PHE A 107 5.635 2.759 -5.912 1.00 43.24 H new ATOM 1686 N ASN A 108 6.497 -3.054 -9.858 1.00 22.23 N ATOM 1687 CA ASN A 108 5.486 -2.940 -10.916 1.00 25.53 C ATOM 1688 C ASN A 108 4.175 -3.641 -10.522 1.00 22.01 C ATOM 1689 O ASN A 108 3.087 -3.125 -10.777 1.00 54.41 O ATOM 1690 CB ASN A 108 6.024 -3.518 -12.235 1.00 2.32 C ATOM 1691 CG ASN A 108 6.452 -4.973 -12.117 1.00 32.40 C ATOM 1692 OD1 ASN A 108 6.896 -5.421 -11.065 1.00 51.31 O ATOM 1693 ND2 ASN A 108 6.312 -5.725 -13.189 1.00 51.50 N ATOM 0 H ASN A 108 7.370 -3.486 -10.160 1.00 22.23 H new ATOM 0 HA ASN A 108 5.269 -1.881 -11.055 1.00 25.53 H new ATOM 0 HB2 ASN A 108 5.255 -3.433 -13.003 1.00 2.32 H new ATOM 0 HB3 ASN A 108 6.874 -2.921 -12.567 1.00 2.32 H new ATOM 0 HD21 ASN A 108 6.576 -6.710 -13.159 1.00 51.50 H new ATOM 0 HD22 ASN A 108 5.940 -5.323 -14.049 1.00 51.50 H new ATOM 1700 N LYS A 109 4.285 -4.817 -9.897 1.00 35.44 N ATOM 1701 CA LYS A 109 3.106 -5.546 -9.406 1.00 53.35 C ATOM 1702 C LYS A 109 2.359 -4.735 -8.335 1.00 42.43 C ATOM 1703 O LYS A 109 1.137 -4.585 -8.391 1.00 42.43 O ATOM 1704 CB LYS A 109 3.515 -6.907 -8.823 1.00 43.10 C ATOM 1705 CG LYS A 109 4.168 -7.850 -9.831 1.00 11.21 C ATOM 1706 CD LYS A 109 4.567 -9.180 -9.191 1.00 61.21 C ATOM 1707 CE LYS A 109 3.358 -9.966 -8.701 1.00 31.23 C ATOM 1708 NZ LYS A 109 3.751 -11.215 -7.996 1.00 1.52 N ATOM 0 H LYS A 109 5.173 -5.285 -9.718 1.00 35.44 H new ATOM 0 HA LYS A 109 2.441 -5.703 -10.255 1.00 53.35 H new ATOM 0 HB2 LYS A 109 4.206 -6.742 -7.996 1.00 43.10 H new ATOM 0 HB3 LYS A 109 2.631 -7.392 -8.408 1.00 43.10 H new ATOM 0 HG2 LYS A 109 3.478 -8.036 -10.654 1.00 11.21 H new ATOM 0 HG3 LYS A 109 5.051 -7.372 -10.256 1.00 11.21 H new ATOM 0 HD2 LYS A 109 5.119 -9.779 -9.915 1.00 61.21 H new ATOM 0 HD3 LYS A 109 5.240 -8.992 -8.354 1.00 61.21 H new ATOM 0 HE2 LYS A 109 2.768 -9.342 -8.030 1.00 31.23 H new ATOM 0 HE3 LYS A 109 2.720 -10.214 -9.549 1.00 31.23 H new ATOM 0 HZ1 LYS A 109 2.956 -11.886 -8.009 1.00 1.52 H new ATOM 0 HZ2 LYS A 109 4.571 -11.640 -8.474 1.00 1.52 H new ATOM 0 HZ3 LYS A 109 4.001 -10.994 -7.011 1.00 1.52 H new ATOM 1722 N VAL A 110 3.109 -4.219 -7.363 1.00 60.31 N ATOM 1723 CA VAL A 110 2.537 -3.412 -6.278 1.00 30.00 C ATOM 1724 C VAL A 110 1.874 -2.142 -6.823 1.00 33.33 C ATOM 1725 O VAL A 110 0.702 -1.871 -6.559 1.00 43.52 O ATOM 1726 CB VAL A 110 3.624 -3.006 -5.252 1.00 44.33 C ATOM 1727 CG1 VAL A 110 3.008 -2.270 -4.059 1.00 13.02 C ATOM 1728 CG2 VAL A 110 4.421 -4.228 -4.797 1.00 43.31 C ATOM 0 H VAL A 110 4.119 -4.344 -7.302 1.00 60.31 H new ATOM 0 HA VAL A 110 1.786 -4.029 -5.785 1.00 30.00 H new ATOM 0 HB VAL A 110 4.313 -2.319 -5.742 1.00 44.33 H new ATOM 0 HG11 VAL A 110 3.794 -1.997 -3.355 1.00 13.02 H new ATOM 0 HG12 VAL A 110 2.504 -1.369 -4.408 1.00 13.02 H new ATOM 0 HG13 VAL A 110 2.287 -2.920 -3.564 1.00 13.02 H new ATOM 0 HG21 VAL A 110 5.179 -3.920 -4.077 1.00 43.31 H new ATOM 0 HG22 VAL A 110 3.748 -4.948 -4.331 1.00 43.31 H new ATOM 0 HG23 VAL A 110 4.905 -4.688 -5.659 1.00 43.31 H new ATOM 1738 N LEU A 111 2.642 -1.379 -7.594 1.00 53.31 N ATOM 1739 CA LEU A 111 2.176 -0.127 -8.192 1.00 53.04 C ATOM 1740 C LEU A 111 0.896 -0.344 -9.018 1.00 64.30 C ATOM 1741 O LEU A 111 -0.064 0.414 -8.898 1.00 14.03 O ATOM 1742 CB LEU A 111 3.290 0.459 -9.072 1.00 2.44 C ATOM 1743 CG LEU A 111 3.054 1.886 -9.589 1.00 0.21 C ATOM 1744 CD1 LEU A 111 2.911 2.866 -8.426 1.00 64.24 C ATOM 1745 CD2 LEU A 111 4.192 2.308 -10.516 1.00 1.35 C ATOM 0 H LEU A 111 3.609 -1.610 -7.824 1.00 53.31 H new ATOM 0 HA LEU A 111 1.935 0.574 -7.393 1.00 53.04 H new ATOM 0 HB2 LEU A 111 4.220 0.448 -8.503 1.00 2.44 H new ATOM 0 HB3 LEU A 111 3.433 -0.199 -9.929 1.00 2.44 H new ATOM 0 HG LEU A 111 2.123 1.899 -10.156 1.00 0.21 H new ATOM 0 HD11 LEU A 111 2.745 3.871 -8.815 1.00 64.24 H new ATOM 0 HD12 LEU A 111 2.065 2.573 -7.805 1.00 64.24 H new ATOM 0 HD13 LEU A 111 3.822 2.855 -7.827 1.00 64.24 H new ATOM 0 HD21 LEU A 111 4.012 3.321 -10.875 1.00 1.35 H new ATOM 0 HD22 LEU A 111 5.135 2.279 -9.971 1.00 1.35 H new ATOM 0 HD23 LEU A 111 4.242 1.626 -11.365 1.00 1.35 H new ATOM 1757 N SER A 112 0.888 -1.392 -9.844 1.00 60.54 N ATOM 1758 CA SER A 112 -0.304 -1.746 -10.634 1.00 73.03 C ATOM 1759 C SER A 112 -1.515 -2.006 -9.729 1.00 13.35 C ATOM 1760 O SER A 112 -2.612 -1.500 -9.983 1.00 51.41 O ATOM 1761 CB SER A 112 -0.038 -2.982 -11.508 1.00 1.14 C ATOM 1762 OG SER A 112 0.950 -2.718 -12.492 1.00 62.34 O ATOM 0 H SER A 112 1.686 -2.011 -9.986 1.00 60.54 H new ATOM 0 HA SER A 112 -0.527 -0.897 -11.280 1.00 73.03 H new ATOM 0 HB2 SER A 112 0.285 -3.811 -10.879 1.00 1.14 H new ATOM 0 HB3 SER A 112 -0.963 -3.292 -11.993 1.00 1.14 H new ATOM 0 HG SER A 112 1.841 -2.806 -12.093 1.00 62.34 H new ATOM 1768 N SER A 113 -1.309 -2.782 -8.665 1.00 10.12 N ATOM 1769 CA SER A 113 -2.380 -3.083 -7.706 1.00 32.10 C ATOM 1770 C SER A 113 -2.916 -1.798 -7.056 1.00 10.10 C ATOM 1771 O SER A 113 -4.121 -1.644 -6.853 1.00 10.40 O ATOM 1772 CB SER A 113 -1.881 -4.050 -6.622 1.00 70.40 C ATOM 1773 OG SER A 113 -2.935 -4.455 -5.764 1.00 20.43 O ATOM 0 H SER A 113 -0.413 -3.215 -8.443 1.00 10.12 H new ATOM 0 HA SER A 113 -3.193 -3.558 -8.255 1.00 32.10 H new ATOM 0 HB2 SER A 113 -1.435 -4.927 -7.092 1.00 70.40 H new ATOM 0 HB3 SER A 113 -1.098 -3.569 -6.036 1.00 70.40 H new ATOM 0 HG SER A 113 -3.475 -5.140 -6.210 1.00 20.43 H new ATOM 1779 N LEU A 114 -2.008 -0.867 -6.752 1.00 30.24 N ATOM 1780 CA LEU A 114 -2.386 0.444 -6.207 1.00 23.23 C ATOM 1781 C LEU A 114 -3.215 1.250 -7.220 1.00 71.10 C ATOM 1782 O LEU A 114 -4.234 1.849 -6.869 1.00 30.32 O ATOM 1783 CB LEU A 114 -1.134 1.240 -5.805 1.00 71.31 C ATOM 1784 CG LEU A 114 -0.258 0.589 -4.721 1.00 4.13 C ATOM 1785 CD1 LEU A 114 0.985 1.431 -4.451 1.00 5.32 C ATOM 1786 CD2 LEU A 114 -1.056 0.371 -3.435 1.00 24.34 C ATOM 0 H LEU A 114 -1.003 -0.995 -6.874 1.00 30.24 H new ATOM 0 HA LEU A 114 -2.999 0.271 -5.322 1.00 23.23 H new ATOM 0 HB2 LEU A 114 -0.524 1.399 -6.694 1.00 71.31 H new ATOM 0 HB3 LEU A 114 -1.447 2.223 -5.453 1.00 71.31 H new ATOM 0 HG LEU A 114 0.066 -0.385 -5.088 1.00 4.13 H new ATOM 0 HD11 LEU A 114 1.589 0.951 -3.681 1.00 5.32 H new ATOM 0 HD12 LEU A 114 1.569 1.522 -5.367 1.00 5.32 H new ATOM 0 HD13 LEU A 114 0.686 2.423 -4.112 1.00 5.32 H new ATOM 0 HD21 LEU A 114 -0.416 -0.090 -2.683 1.00 24.34 H new ATOM 0 HD22 LEU A 114 -1.418 1.330 -3.064 1.00 24.34 H new ATOM 0 HD23 LEU A 114 -1.904 -0.282 -3.639 1.00 24.34 H new ATOM 1798 N VAL A 115 -2.775 1.258 -8.481 1.00 71.51 N ATOM 1799 CA VAL A 115 -3.511 1.938 -9.557 1.00 71.54 C ATOM 1800 C VAL A 115 -4.922 1.346 -9.732 1.00 54.25 C ATOM 1801 O VAL A 115 -5.881 2.070 -10.002 1.00 40.53 O ATOM 1802 CB VAL A 115 -2.746 1.868 -10.909 1.00 53.33 C ATOM 1803 CG1 VAL A 115 -3.554 2.518 -12.033 1.00 3.42 C ATOM 1804 CG2 VAL A 115 -1.370 2.526 -10.789 1.00 54.01 C ATOM 0 H VAL A 115 -1.914 0.803 -8.785 1.00 71.51 H new ATOM 0 HA VAL A 115 -3.601 2.984 -9.262 1.00 71.54 H new ATOM 0 HB VAL A 115 -2.605 0.816 -11.158 1.00 53.33 H new ATOM 0 HG11 VAL A 115 -2.995 2.455 -12.967 1.00 3.42 H new ATOM 0 HG12 VAL A 115 -4.506 1.999 -12.144 1.00 3.42 H new ATOM 0 HG13 VAL A 115 -3.738 3.565 -11.791 1.00 3.42 H new ATOM 0 HG21 VAL A 115 -0.853 2.465 -11.747 1.00 54.01 H new ATOM 0 HG22 VAL A 115 -1.490 3.572 -10.507 1.00 54.01 H new ATOM 0 HG23 VAL A 115 -0.785 2.010 -10.027 1.00 54.01 H new ATOM 1814 N THR A 116 -5.046 0.029 -9.577 1.00 32.54 N ATOM 1815 CA THR A 116 -6.358 -0.631 -9.636 1.00 5.24 C ATOM 1816 C THR A 116 -7.203 -0.286 -8.405 1.00 22.23 C ATOM 1817 O THR A 116 -8.404 -0.050 -8.517 1.00 1.05 O ATOM 1818 CB THR A 116 -6.234 -2.167 -9.760 1.00 24.35 C ATOM 1819 OG1 THR A 116 -5.571 -2.493 -10.989 1.00 71.51 O ATOM 1820 CG2 THR A 116 -7.604 -2.846 -9.721 1.00 51.44 C ATOM 0 H THR A 116 -4.262 -0.602 -9.411 1.00 32.54 H new ATOM 0 HA THR A 116 -6.853 -0.256 -10.532 1.00 5.24 H new ATOM 0 HB THR A 116 -5.654 -2.531 -8.912 1.00 24.35 H new ATOM 0 HG1 THR A 116 -5.788 -3.414 -11.243 1.00 71.51 H new ATOM 0 HG21 THR A 116 -7.478 -3.925 -9.811 1.00 51.44 H new ATOM 0 HG22 THR A 116 -8.098 -2.616 -8.777 1.00 51.44 H new ATOM 0 HG23 THR A 116 -8.214 -2.482 -10.548 1.00 51.44 H new ATOM 1828 N LEU A 117 -6.568 -0.249 -7.232 1.00 70.04 N ATOM 1829 CA LEU A 117 -7.244 0.177 -6.000 1.00 41.00 C ATOM 1830 C LEU A 117 -7.787 1.609 -6.147 1.00 44.11 C ATOM 1831 O LEU A 117 -8.862 1.941 -5.636 1.00 13.35 O ATOM 1832 CB LEU A 117 -6.281 0.089 -4.805 1.00 74.14 C ATOM 1833 CG LEU A 117 -6.881 0.472 -3.439 1.00 41.12 C ATOM 1834 CD1 LEU A 117 -8.068 -0.423 -3.092 1.00 62.42 C ATOM 1835 CD2 LEU A 117 -5.820 0.402 -2.347 1.00 13.23 C ATOM 0 H LEU A 117 -5.589 -0.508 -7.107 1.00 70.04 H new ATOM 0 HA LEU A 117 -8.085 -0.492 -5.820 1.00 41.00 H new ATOM 0 HB2 LEU A 117 -5.901 -0.930 -4.742 1.00 74.14 H new ATOM 0 HB3 LEU A 117 -5.426 0.737 -5.001 1.00 74.14 H new ATOM 0 HG LEU A 117 -7.240 1.499 -3.505 1.00 41.12 H new ATOM 0 HD11 LEU A 117 -8.473 -0.131 -2.123 1.00 62.42 H new ATOM 0 HD12 LEU A 117 -8.840 -0.316 -3.855 1.00 62.42 H new ATOM 0 HD13 LEU A 117 -7.741 -1.462 -3.050 1.00 62.42 H new ATOM 0 HD21 LEU A 117 -6.264 0.676 -1.390 1.00 13.23 H new ATOM 0 HD22 LEU A 117 -5.426 -0.613 -2.287 1.00 13.23 H new ATOM 0 HD23 LEU A 117 -5.010 1.092 -2.582 1.00 13.23 H new ATOM 1847 N ASN A 118 -7.033 2.451 -6.853 1.00 14.14 N ATOM 1848 CA ASN A 118 -7.486 3.800 -7.199 1.00 70.25 C ATOM 1849 C ASN A 118 -8.669 3.743 -8.182 1.00 41.22 C ATOM 1850 O ASN A 118 -9.694 4.377 -7.959 1.00 53.41 O ATOM 1851 CB ASN A 118 -6.327 4.612 -7.798 1.00 61.24 C ATOM 1852 CG ASN A 118 -6.745 6.015 -8.210 1.00 61.44 C ATOM 1853 OD1 ASN A 118 -7.118 6.258 -9.353 1.00 4.32 O ATOM 1854 ND2 ASN A 118 -6.697 6.947 -7.280 1.00 33.03 N ATOM 0 H ASN A 118 -6.101 2.222 -7.198 1.00 14.14 H new ATOM 0 HA ASN A 118 -7.825 4.294 -6.288 1.00 70.25 H new ATOM 0 HB2 ASN A 118 -5.519 4.677 -7.069 1.00 61.24 H new ATOM 0 HB3 ASN A 118 -5.931 4.086 -8.666 1.00 61.24 H new ATOM 0 HD21 ASN A 118 -6.975 7.903 -7.501 1.00 33.03 H new ATOM 0 HD22 ASN A 118 -6.382 6.712 -6.339 1.00 33.03 H new ATOM 1861 N LYS A 119 -8.521 2.964 -9.256 1.00 70.02 N ATOM 1862 CA LYS A 119 -9.582 2.814 -10.267 1.00 13.31 C ATOM 1863 C LYS A 119 -10.915 2.349 -9.655 1.00 32.13 C ATOM 1864 O LYS A 119 -11.951 2.977 -9.863 1.00 74.42 O ATOM 1865 CB LYS A 119 -9.150 1.823 -11.360 1.00 62.55 C ATOM 1866 CG LYS A 119 -8.229 2.422 -12.421 1.00 44.50 C ATOM 1867 CD LYS A 119 -7.733 1.365 -13.408 1.00 42.23 C ATOM 1868 CE LYS A 119 -8.876 0.557 -14.025 1.00 41.41 C ATOM 1869 NZ LYS A 119 -9.796 1.391 -14.847 1.00 42.25 N ATOM 0 H LYS A 119 -7.678 2.425 -9.452 1.00 70.02 H new ATOM 0 HA LYS A 119 -9.740 3.801 -10.703 1.00 13.31 H new ATOM 0 HB2 LYS A 119 -8.644 0.980 -10.890 1.00 62.55 H new ATOM 0 HB3 LYS A 119 -10.041 1.428 -11.849 1.00 62.55 H new ATOM 0 HG2 LYS A 119 -8.760 3.204 -12.963 1.00 44.50 H new ATOM 0 HG3 LYS A 119 -7.375 2.895 -11.936 1.00 44.50 H new ATOM 0 HD2 LYS A 119 -7.166 1.852 -14.202 1.00 42.23 H new ATOM 0 HD3 LYS A 119 -7.049 0.688 -12.897 1.00 42.23 H new ATOM 0 HE2 LYS A 119 -8.460 -0.236 -14.646 1.00 41.41 H new ATOM 0 HE3 LYS A 119 -9.444 0.074 -13.230 1.00 41.41 H new ATOM 0 HZ1 LYS A 119 -10.550 0.792 -15.240 1.00 42.25 H new ATOM 0 HZ2 LYS A 119 -10.217 2.133 -14.252 1.00 42.25 H new ATOM 0 HZ3 LYS A 119 -9.264 1.832 -15.624 1.00 42.25 H new ATOM 1883 N VAL A 120 -10.882 1.247 -8.905 1.00 63.45 N ATOM 1884 CA VAL A 120 -12.102 0.667 -8.334 1.00 22.13 C ATOM 1885 C VAL A 120 -12.837 1.657 -7.408 1.00 60.31 C ATOM 1886 O VAL A 120 -14.052 1.812 -7.498 1.00 25.22 O ATOM 1887 CB VAL A 120 -11.812 -0.660 -7.573 1.00 43.51 C ATOM 1888 CG1 VAL A 120 -11.279 -1.725 -8.532 1.00 13.14 C ATOM 1889 CG2 VAL A 120 -10.833 -0.440 -6.419 1.00 64.41 C ATOM 0 H VAL A 120 -10.028 0.738 -8.678 1.00 63.45 H new ATOM 0 HA VAL A 120 -12.755 0.444 -9.178 1.00 22.13 H new ATOM 0 HB VAL A 120 -12.753 -1.011 -7.149 1.00 43.51 H new ATOM 0 HG11 VAL A 120 -11.082 -2.645 -7.981 1.00 13.14 H new ATOM 0 HG12 VAL A 120 -12.019 -1.918 -9.309 1.00 13.14 H new ATOM 0 HG13 VAL A 120 -10.355 -1.372 -8.991 1.00 13.14 H new ATOM 0 HG21 VAL A 120 -10.653 -1.386 -5.909 1.00 64.41 H new ATOM 0 HG22 VAL A 120 -9.892 -0.053 -6.809 1.00 64.41 H new ATOM 0 HG23 VAL A 120 -11.256 0.277 -5.715 1.00 64.41 H new ATOM 1899 N THR A 121 -12.097 2.348 -6.546 1.00 42.52 N ATOM 1900 CA THR A 121 -12.702 3.312 -5.613 1.00 70.03 C ATOM 1901 C THR A 121 -13.120 4.604 -6.325 1.00 32.12 C ATOM 1902 O THR A 121 -14.197 5.151 -6.070 1.00 64.15 O ATOM 1903 CB THR A 121 -11.741 3.657 -4.453 1.00 21.12 C ATOM 1904 OG1 THR A 121 -10.503 4.177 -4.970 1.00 12.32 O ATOM 1905 CG2 THR A 121 -11.469 2.425 -3.593 1.00 54.21 C ATOM 0 H THR A 121 -11.083 2.264 -6.469 1.00 42.52 H new ATOM 0 HA THR A 121 -13.592 2.831 -5.206 1.00 70.03 H new ATOM 0 HB THR A 121 -12.215 4.417 -3.832 1.00 21.12 H new ATOM 0 HG1 THR A 121 -9.917 3.434 -5.224 1.00 12.32 H new ATOM 0 HG21 THR A 121 -10.790 2.690 -2.782 1.00 54.21 H new ATOM 0 HG22 THR A 121 -12.407 2.058 -3.176 1.00 54.21 H new ATOM 0 HG23 THR A 121 -11.015 1.646 -4.206 1.00 54.21 H new ATOM 1913 N ALA A 122 -12.266 5.082 -7.227 1.00 40.21 N ATOM 1914 CA ALA A 122 -12.566 6.271 -8.031 1.00 12.21 C ATOM 1915 C ALA A 122 -13.830 6.074 -8.872 1.00 24.13 C ATOM 1916 O ALA A 122 -14.633 6.997 -9.041 1.00 22.53 O ATOM 1917 CB ALA A 122 -11.385 6.615 -8.934 1.00 55.03 C ATOM 0 H ALA A 122 -11.356 4.664 -7.422 1.00 40.21 H new ATOM 0 HA ALA A 122 -12.743 7.099 -7.344 1.00 12.21 H new ATOM 0 HB1 ALA A 122 -11.624 7.500 -9.524 1.00 55.03 H new ATOM 0 HB2 ALA A 122 -10.505 6.813 -8.322 1.00 55.03 H new ATOM 0 HB3 ALA A 122 -11.181 5.778 -9.602 1.00 55.03 H new ATOM 1923 N ASP A 123 -14.001 4.865 -9.393 1.00 62.43 N ATOM 1924 CA ASP A 123 -15.153 4.533 -10.227 1.00 13.23 C ATOM 1925 C ASP A 123 -16.439 4.446 -9.386 1.00 23.23 C ATOM 1926 O ASP A 123 -17.524 4.802 -9.852 1.00 63.21 O ATOM 1927 CB ASP A 123 -14.892 3.214 -10.956 1.00 52.32 C ATOM 1928 CG ASP A 123 -15.792 3.025 -12.162 1.00 63.34 C ATOM 1929 OD1 ASP A 123 -15.526 3.659 -13.206 1.00 42.12 O ATOM 1930 OD2 ASP A 123 -16.754 2.231 -12.077 1.00 34.21 O ATOM 0 H ASP A 123 -13.351 4.091 -9.252 1.00 62.43 H new ATOM 0 HA ASP A 123 -15.295 5.326 -10.962 1.00 13.23 H new ATOM 0 HB2 ASP A 123 -13.851 3.180 -11.276 1.00 52.32 H new ATOM 0 HB3 ASP A 123 -15.040 2.385 -10.264 1.00 52.32 H new