USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 TYR OH : rot 55:sc= 1.22 USER MOD Set 1.2: A 91 HIS : no HE2:sc=7.29e-05 K(o=1.2,f=0.7) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0746 USER MOD Single : A 16 HIS : no HE2:sc= 0.808 K(o=0.81,f=-6.1!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -2! C(o=-2!,f=-6.4!) USER MOD Single : A 23 ASN : amide:sc= -0.335 K(o=-0.33,f=-1.3!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc=-0.00977 (180deg=-0.134) USER MOD Single : A 26 SER OG : rot -54:sc= 0.221 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 37 MET CE :methyl -155:sc= 0 (180deg=-1.11) USER MOD Single : A 38 SER OG : rot 180:sc= -0.164 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00412 (180deg=-0.0858) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -2.16! (180deg=-4.06!) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0151 (180deg=-0.202) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.125 USER MOD Single : A 57 MET CE :methyl -175:sc= -3.82! (180deg=-3.84!) USER MOD Single : A 65 SER OG : rot 104:sc= 1.23 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0868) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.048 USER MOD Single : A 83 SER OG : rot 1:sc= 0.65 USER MOD ----------------------------------------------------------------- ATOM 183 N ASP A 13 2.031 -12.102 -8.829 1.00 32.31 N ATOM 184 CA ASP A 13 2.786 -10.873 -8.573 1.00 14.24 C ATOM 185 C ASP A 13 1.867 -9.750 -8.110 1.00 41.12 C ATOM 186 O ASP A 13 1.989 -8.615 -8.575 1.00 14.42 O ATOM 187 CB ASP A 13 3.493 -10.416 -9.855 1.00 72.31 C ATOM 188 CG ASP A 13 4.475 -11.427 -10.407 1.00 13.22 C ATOM 189 OD1 ASP A 13 4.047 -12.542 -10.774 1.00 2.31 O ATOM 190 OD2 ASP A 13 5.674 -11.096 -10.517 1.00 11.12 O ATOM 0 HA ASP A 13 3.514 -11.090 -7.791 1.00 14.24 H new ATOM 0 HB2 ASP A 13 2.742 -10.201 -10.615 1.00 72.31 H new ATOM 0 HB3 ASP A 13 4.021 -9.483 -9.655 1.00 72.31 H new ATOM 195 N SER A 14 0.951 -10.049 -7.201 1.00 52.51 N ATOM 196 CA SER A 14 -0.038 -9.072 -6.784 1.00 14.31 C ATOM 197 C SER A 14 -0.437 -9.240 -5.319 1.00 42.42 C ATOM 198 O SER A 14 -1.294 -10.061 -4.984 1.00 44.32 O ATOM 199 CB SER A 14 -1.278 -9.183 -7.674 1.00 43.03 C ATOM 200 OG SER A 14 -0.919 -9.151 -9.045 1.00 3.33 O ATOM 0 H SER A 14 0.874 -10.956 -6.741 1.00 52.51 H new ATOM 0 HA SER A 14 0.412 -8.085 -6.888 1.00 14.31 H new ATOM 0 HB2 SER A 14 -1.807 -10.110 -7.454 1.00 43.03 H new ATOM 0 HB3 SER A 14 -1.963 -8.365 -7.454 1.00 43.03 H new ATOM 0 HG SER A 14 -1.726 -9.225 -9.596 1.00 3.33 H new ATOM 206 N VAL A 15 0.210 -8.483 -4.446 1.00 13.50 N ATOM 207 CA VAL A 15 -0.255 -8.354 -3.076 1.00 51.44 C ATOM 208 C VAL A 15 -1.526 -7.514 -3.072 1.00 62.13 C ATOM 209 O VAL A 15 -1.681 -6.616 -3.899 1.00 3.11 O ATOM 210 CB VAL A 15 0.811 -7.711 -2.160 1.00 53.03 C ATOM 211 CG1 VAL A 15 2.028 -8.615 -2.043 1.00 4.44 C ATOM 212 CG2 VAL A 15 1.217 -6.335 -2.673 1.00 43.44 C ATOM 0 H VAL A 15 1.054 -7.952 -4.661 1.00 13.50 H new ATOM 0 HA VAL A 15 -0.454 -9.350 -2.681 1.00 51.44 H new ATOM 0 HB VAL A 15 0.373 -7.586 -1.170 1.00 53.03 H new ATOM 0 HG11 VAL A 15 2.768 -8.146 -1.394 1.00 4.44 H new ATOM 0 HG12 VAL A 15 1.730 -9.574 -1.619 1.00 4.44 H new ATOM 0 HG13 VAL A 15 2.460 -8.774 -3.031 1.00 4.44 H new ATOM 0 HG21 VAL A 15 1.968 -5.906 -2.009 1.00 43.44 H new ATOM 0 HG22 VAL A 15 1.631 -6.429 -3.677 1.00 43.44 H new ATOM 0 HG23 VAL A 15 0.343 -5.684 -2.700 1.00 43.44 H new ATOM 222 N HIS A 16 -2.453 -7.813 -2.180 1.00 13.42 N ATOM 223 CA HIS A 16 -3.739 -7.134 -2.206 1.00 33.23 C ATOM 224 C HIS A 16 -3.752 -5.958 -1.236 1.00 1.11 C ATOM 225 O HIS A 16 -4.113 -6.100 -0.067 1.00 34.00 O ATOM 226 CB HIS A 16 -4.880 -8.104 -1.889 1.00 45.11 C ATOM 227 CG HIS A 16 -4.866 -9.346 -2.731 1.00 42.14 C ATOM 228 ND1 HIS A 16 -4.932 -10.607 -2.194 1.00 1.34 N ATOM 229 CD2 HIS A 16 -4.785 -9.518 -4.075 1.00 11.34 C ATOM 230 CE1 HIS A 16 -4.894 -11.501 -3.158 1.00 42.01 C ATOM 231 NE2 HIS A 16 -4.803 -10.872 -4.314 1.00 14.11 N ATOM 0 H HIS A 16 -2.345 -8.508 -1.441 1.00 13.42 H new ATOM 0 HA HIS A 16 -3.891 -6.749 -3.214 1.00 33.23 H new ATOM 0 HB2 HIS A 16 -4.823 -8.387 -0.838 1.00 45.11 H new ATOM 0 HB3 HIS A 16 -5.831 -7.591 -2.030 1.00 45.11 H new ATOM 0 HD1 HIS A 16 -5.000 -10.819 -1.199 1.00 1.34 H new ATOM 0 HD2 HIS A 16 -4.719 -8.737 -4.818 1.00 11.34 H new ATOM 0 HE1 HIS A 16 -4.931 -12.572 -3.025 1.00 42.01 H new ATOM 240 N LEU A 17 -3.324 -4.802 -1.719 1.00 24.34 N ATOM 241 CA LEU A 17 -3.350 -3.584 -0.925 1.00 4.32 C ATOM 242 C LEU A 17 -4.372 -2.605 -1.494 1.00 13.54 C ATOM 243 O LEU A 17 -4.481 -2.443 -2.713 1.00 75.21 O ATOM 244 CB LEU A 17 -1.961 -2.943 -0.886 1.00 5.42 C ATOM 245 CG LEU A 17 -0.870 -3.787 -0.218 1.00 63.44 C ATOM 246 CD1 LEU A 17 0.475 -3.087 -0.313 1.00 24.43 C ATOM 247 CD2 LEU A 17 -1.220 -4.057 1.240 1.00 53.23 C ATOM 0 H LEU A 17 -2.953 -4.682 -2.661 1.00 24.34 H new ATOM 0 HA LEU A 17 -3.641 -3.838 0.094 1.00 4.32 H new ATOM 0 HB2 LEU A 17 -1.652 -2.722 -1.908 1.00 5.42 H new ATOM 0 HB3 LEU A 17 -2.033 -1.990 -0.361 1.00 5.42 H new ATOM 0 HG LEU A 17 -0.806 -4.741 -0.742 1.00 63.44 H new ATOM 0 HD11 LEU A 17 1.239 -3.700 0.166 1.00 24.43 H new ATOM 0 HD12 LEU A 17 0.734 -2.938 -1.361 1.00 24.43 H new ATOM 0 HD13 LEU A 17 0.418 -2.121 0.188 1.00 24.43 H new ATOM 0 HD21 LEU A 17 -0.434 -4.658 1.698 1.00 53.23 H new ATOM 0 HD22 LEU A 17 -1.311 -3.111 1.774 1.00 53.23 H new ATOM 0 HD23 LEU A 17 -2.166 -4.596 1.293 1.00 53.23 H new ATOM 259 N HIS A 18 -5.132 -1.968 -0.616 1.00 65.31 N ATOM 260 CA HIS A 18 -6.180 -1.046 -1.042 1.00 33.43 C ATOM 261 C HIS A 18 -5.821 0.379 -0.643 1.00 24.00 C ATOM 262 O HIS A 18 -5.804 0.708 0.543 1.00 44.43 O ATOM 263 CB HIS A 18 -7.528 -1.432 -0.419 1.00 2.40 C ATOM 264 CG HIS A 18 -7.985 -2.822 -0.753 1.00 71.21 C ATOM 265 ND1 HIS A 18 -8.907 -3.101 -1.740 1.00 12.05 N ATOM 266 CD2 HIS A 18 -7.642 -4.018 -0.216 1.00 43.33 C ATOM 267 CE1 HIS A 18 -9.110 -4.404 -1.794 1.00 2.11 C ATOM 268 NE2 HIS A 18 -8.354 -4.981 -0.882 1.00 34.34 N ATOM 0 H HIS A 18 -5.045 -2.071 0.395 1.00 65.31 H new ATOM 0 HA HIS A 18 -6.265 -1.105 -2.127 1.00 33.43 H new ATOM 0 HB2 HIS A 18 -7.456 -1.336 0.664 1.00 2.40 H new ATOM 0 HB3 HIS A 18 -8.286 -0.723 -0.752 1.00 2.40 H new ATOM 0 HD2 HIS A 18 -6.939 -4.182 0.587 1.00 43.33 H new ATOM 0 HE1 HIS A 18 -9.782 -4.911 -2.471 1.00 2.11 H new ATOM 0 HE2 HIS A 18 -8.306 -5.984 -0.701 1.00 34.34 H new ATOM 277 N ILE A 19 -5.529 1.220 -1.628 1.00 51.41 N ATOM 278 CA ILE A 19 -5.138 2.598 -1.361 1.00 43.45 C ATOM 279 C ILE A 19 -6.349 3.423 -0.939 1.00 74.12 C ATOM 280 O ILE A 19 -7.309 3.569 -1.695 1.00 40.04 O ATOM 281 CB ILE A 19 -4.472 3.245 -2.596 1.00 42.21 C ATOM 282 CG1 ILE A 19 -3.254 2.421 -3.031 1.00 24.14 C ATOM 283 CG2 ILE A 19 -4.069 4.683 -2.298 1.00 4.24 C ATOM 284 CD1 ILE A 19 -2.591 2.932 -4.294 1.00 12.35 C ATOM 0 H ILE A 19 -5.556 0.972 -2.617 1.00 51.41 H new ATOM 0 HA ILE A 19 -4.411 2.582 -0.549 1.00 43.45 H new ATOM 0 HB ILE A 19 -5.193 3.259 -3.413 1.00 42.21 H new ATOM 0 HG12 ILE A 19 -2.522 2.417 -2.223 1.00 24.14 H new ATOM 0 HG13 ILE A 19 -3.563 1.387 -3.186 1.00 24.14 H new ATOM 0 HG21 ILE A 19 -3.602 5.120 -3.180 1.00 4.24 H new ATOM 0 HG22 ILE A 19 -4.954 5.261 -2.032 1.00 4.24 H new ATOM 0 HG23 ILE A 19 -3.362 4.698 -1.468 1.00 4.24 H new ATOM 0 HD11 ILE A 19 -1.738 2.299 -4.539 1.00 12.35 H new ATOM 0 HD12 ILE A 19 -3.307 2.910 -5.115 1.00 12.35 H new ATOM 0 HD13 ILE A 19 -2.250 3.955 -4.138 1.00 12.35 H new ATOM 296 N THR A 20 -6.300 3.947 0.275 1.00 64.12 N ATOM 297 CA THR A 20 -7.411 4.697 0.829 1.00 50.31 C ATOM 298 C THR A 20 -7.007 6.144 1.088 1.00 72.52 C ATOM 299 O THR A 20 -6.221 6.429 1.992 1.00 61.01 O ATOM 300 CB THR A 20 -7.884 4.053 2.143 1.00 42.32 C ATOM 301 OG1 THR A 20 -7.937 2.631 1.981 1.00 35.31 O ATOM 302 CG2 THR A 20 -9.256 4.573 2.545 1.00 22.20 C ATOM 0 H THR A 20 -5.496 3.865 0.898 1.00 64.12 H new ATOM 0 HA THR A 20 -8.226 4.682 0.105 1.00 50.31 H new ATOM 0 HB THR A 20 -7.177 4.313 2.931 1.00 42.32 H new ATOM 0 HG1 THR A 20 -8.237 2.217 2.817 1.00 35.31 H new ATOM 0 HG21 THR A 20 -9.565 4.101 3.477 1.00 22.20 H new ATOM 0 HG22 THR A 20 -9.209 5.653 2.683 1.00 22.20 H new ATOM 0 HG23 THR A 20 -9.978 4.338 1.763 1.00 22.20 H new ATOM 310 N HIS A 21 -7.535 7.050 0.284 1.00 11.32 N ATOM 311 CA HIS A 21 -7.243 8.470 0.436 1.00 60.22 C ATOM 312 C HIS A 21 -8.234 9.088 1.423 1.00 63.12 C ATOM 313 O HIS A 21 -9.357 8.600 1.560 1.00 24.14 O ATOM 314 CB HIS A 21 -7.321 9.165 -0.925 1.00 42.43 C ATOM 315 CG HIS A 21 -6.217 10.149 -1.175 1.00 31.13 C ATOM 316 ND1 HIS A 21 -6.406 11.325 -1.862 1.00 13.04 N ATOM 317 CD2 HIS A 21 -4.901 10.108 -0.858 1.00 64.13 C ATOM 318 CE1 HIS A 21 -5.255 11.965 -1.961 1.00 50.44 C ATOM 319 NE2 HIS A 21 -4.325 11.250 -1.359 1.00 73.43 N ATOM 0 H HIS A 21 -8.170 6.830 -0.483 1.00 11.32 H new ATOM 0 HA HIS A 21 -6.234 8.600 0.827 1.00 60.22 H new ATOM 0 HB2 HIS A 21 -7.303 8.408 -1.709 1.00 42.43 H new ATOM 0 HB3 HIS A 21 -8.278 9.681 -1.003 1.00 42.43 H new ATOM 0 HD2 HIS A 21 -4.398 9.323 -0.313 1.00 64.13 H new ATOM 0 HE1 HIS A 21 -5.101 12.914 -2.452 1.00 50.44 H new ATOM 0 HE2 HIS A 21 -3.340 11.503 -1.279 1.00 73.43 H new ATOM 328 N ALA A 22 -7.826 10.144 2.112 1.00 65.11 N ATOM 329 CA ALA A 22 -8.656 10.734 3.158 1.00 21.34 C ATOM 330 C ALA A 22 -9.608 11.782 2.595 1.00 25.13 C ATOM 331 O ALA A 22 -10.823 11.702 2.791 1.00 3.31 O ATOM 332 CB ALA A 22 -7.787 11.339 4.247 1.00 20.13 C ATOM 0 H ALA A 22 -6.930 10.610 1.968 1.00 65.11 H new ATOM 0 HA ALA A 22 -9.260 9.936 3.590 1.00 21.34 H new ATOM 0 HB1 ALA A 22 -8.422 11.775 5.019 1.00 20.13 H new ATOM 0 HB2 ALA A 22 -7.162 10.562 4.687 1.00 20.13 H new ATOM 0 HB3 ALA A 22 -7.153 12.115 3.818 1.00 20.13 H new ATOM 338 N ASN A 23 -9.059 12.764 1.892 1.00 72.15 N ATOM 339 CA ASN A 23 -9.874 13.835 1.325 1.00 4.45 C ATOM 340 C ASN A 23 -10.556 13.368 0.049 1.00 3.22 C ATOM 341 O ASN A 23 -11.665 13.791 -0.271 1.00 50.31 O ATOM 342 CB ASN A 23 -9.030 15.082 1.062 1.00 35.22 C ATOM 343 CG ASN A 23 -8.698 15.830 2.340 1.00 74.23 C ATOM 344 OD1 ASN A 23 -9.468 15.821 3.300 1.00 63.05 O ATOM 345 ND2 ASN A 23 -7.547 16.481 2.360 1.00 3.20 N ATOM 0 H ASN A 23 -8.060 12.843 1.701 1.00 72.15 H new ATOM 0 HA ASN A 23 -10.644 14.097 2.050 1.00 4.45 H new ATOM 0 HB2 ASN A 23 -8.106 14.794 0.561 1.00 35.22 H new ATOM 0 HB3 ASN A 23 -9.567 15.745 0.384 1.00 35.22 H new ATOM 0 HD21 ASN A 23 -7.269 17.001 3.193 1.00 3.20 H new ATOM 0 HD22 ASN A 23 -6.937 16.463 1.543 1.00 3.20 H new ATOM 352 N LEU A 24 -9.893 12.485 -0.675 1.00 13.04 N ATOM 353 CA LEU A 24 -10.499 11.859 -1.836 1.00 23.42 C ATOM 354 C LEU A 24 -10.994 10.475 -1.451 1.00 21.30 C ATOM 355 O LEU A 24 -10.307 9.476 -1.653 1.00 34.23 O ATOM 356 CB LEU A 24 -9.520 11.775 -3.015 1.00 43.22 C ATOM 357 CG LEU A 24 -9.233 13.095 -3.746 1.00 41.14 C ATOM 358 CD1 LEU A 24 -8.421 14.049 -2.881 1.00 72.41 C ATOM 359 CD2 LEU A 24 -8.516 12.827 -5.059 1.00 0.21 C ATOM 0 H LEU A 24 -8.937 12.186 -0.481 1.00 13.04 H new ATOM 0 HA LEU A 24 -11.338 12.473 -2.164 1.00 23.42 H new ATOM 0 HB2 LEU A 24 -8.575 11.372 -2.649 1.00 43.22 H new ATOM 0 HB3 LEU A 24 -9.913 11.060 -3.738 1.00 43.22 H new ATOM 0 HG LEU A 24 -10.190 13.573 -3.957 1.00 41.14 H new ATOM 0 HD11 LEU A 24 -8.237 14.972 -3.431 1.00 72.41 H new ATOM 0 HD12 LEU A 24 -8.974 14.274 -1.969 1.00 72.41 H new ATOM 0 HD13 LEU A 24 -7.469 13.585 -2.622 1.00 72.41 H new ATOM 0 HD21 LEU A 24 -8.319 13.772 -5.566 1.00 0.21 H new ATOM 0 HD22 LEU A 24 -7.573 12.318 -4.861 1.00 0.21 H new ATOM 0 HD23 LEU A 24 -9.141 12.198 -5.693 1.00 0.21 H new ATOM 371 N LYS A 25 -12.185 10.428 -0.876 1.00 50.40 N ATOM 372 CA LYS A 25 -12.717 9.196 -0.314 1.00 13.03 C ATOM 373 C LYS A 25 -13.210 8.241 -1.397 1.00 62.52 C ATOM 374 O LYS A 25 -13.449 7.064 -1.135 1.00 25.14 O ATOM 375 CB LYS A 25 -13.832 9.510 0.691 1.00 72.13 C ATOM 376 CG LYS A 25 -14.931 10.413 0.151 1.00 25.11 C ATOM 377 CD LYS A 25 -15.882 10.835 1.257 1.00 42.25 C ATOM 378 CE LYS A 25 -17.009 11.714 0.732 1.00 34.31 C ATOM 379 NZ LYS A 25 -17.881 10.990 -0.231 1.00 63.42 N ATOM 0 H LYS A 25 -12.805 11.233 -0.786 1.00 50.40 H new ATOM 0 HA LYS A 25 -11.905 8.691 0.209 1.00 13.03 H new ATOM 0 HB2 LYS A 25 -14.279 8.573 1.023 1.00 72.13 H new ATOM 0 HB3 LYS A 25 -13.390 9.981 1.569 1.00 72.13 H new ATOM 0 HG2 LYS A 25 -14.488 11.296 -0.309 1.00 25.11 H new ATOM 0 HG3 LYS A 25 -15.484 9.891 -0.630 1.00 25.11 H new ATOM 0 HD2 LYS A 25 -16.304 9.949 1.731 1.00 42.25 H new ATOM 0 HD3 LYS A 25 -15.329 11.375 2.025 1.00 42.25 H new ATOM 0 HE2 LYS A 25 -17.611 12.070 1.569 1.00 34.31 H new ATOM 0 HE3 LYS A 25 -16.586 12.594 0.247 1.00 34.31 H new ATOM 0 HZ1 LYS A 25 -18.741 11.547 -0.407 1.00 63.42 H new ATOM 0 HZ2 LYS A 25 -17.370 10.851 -1.126 1.00 63.42 H new ATOM 0 HZ3 LYS A 25 -18.143 10.065 0.165 1.00 63.42 H new ATOM 393 N SER A 26 -13.358 8.743 -2.613 1.00 61.42 N ATOM 394 CA SER A 26 -13.736 7.898 -3.733 1.00 31.22 C ATOM 395 C SER A 26 -12.557 7.733 -4.692 1.00 55.11 C ATOM 396 O SER A 26 -12.733 7.503 -5.891 1.00 42.12 O ATOM 397 CB SER A 26 -14.950 8.486 -4.464 1.00 11.32 C ATOM 398 OG SER A 26 -15.537 7.532 -5.338 1.00 23.14 O ATOM 0 H SER A 26 -13.223 9.726 -2.848 1.00 61.42 H new ATOM 0 HA SER A 26 -14.011 6.915 -3.351 1.00 31.22 H new ATOM 0 HB2 SER A 26 -15.690 8.819 -3.736 1.00 11.32 H new ATOM 0 HB3 SER A 26 -14.645 9.364 -5.033 1.00 11.32 H new ATOM 0 HG SER A 26 -14.853 7.181 -5.946 1.00 23.14 H new ATOM 404 N PHE A 27 -11.350 7.847 -4.151 1.00 40.34 N ATOM 405 CA PHE A 27 -10.145 7.640 -4.931 1.00 15.32 C ATOM 406 C PHE A 27 -9.868 6.145 -5.048 1.00 61.05 C ATOM 407 O PHE A 27 -9.203 5.557 -4.198 1.00 25.14 O ATOM 408 CB PHE A 27 -8.958 8.360 -4.277 1.00 62.24 C ATOM 409 CG PHE A 27 -7.685 8.312 -5.076 1.00 10.01 C ATOM 410 CD1 PHE A 27 -7.564 9.037 -6.249 1.00 40.50 C ATOM 411 CD2 PHE A 27 -6.610 7.548 -4.647 1.00 41.14 C ATOM 412 CE1 PHE A 27 -6.393 9.002 -6.981 1.00 53.53 C ATOM 413 CE2 PHE A 27 -5.439 7.510 -5.377 1.00 41.33 C ATOM 414 CZ PHE A 27 -5.329 8.236 -6.544 1.00 11.22 C ATOM 0 H PHE A 27 -11.184 8.082 -3.173 1.00 40.34 H new ATOM 0 HA PHE A 27 -10.285 8.055 -5.929 1.00 15.32 H new ATOM 0 HB2 PHE A 27 -9.229 9.403 -4.110 1.00 62.24 H new ATOM 0 HB3 PHE A 27 -8.775 7.917 -3.298 1.00 62.24 H new ATOM 0 HD1 PHE A 27 -8.393 9.636 -6.595 1.00 40.50 H new ATOM 0 HD2 PHE A 27 -6.690 6.978 -3.733 1.00 41.14 H new ATOM 0 HE1 PHE A 27 -6.309 9.573 -7.894 1.00 53.53 H new ATOM 0 HE2 PHE A 27 -4.608 6.911 -5.034 1.00 41.33 H new ATOM 0 HZ PHE A 27 -4.413 8.206 -7.115 1.00 11.22 H new ATOM 424 N SER A 28 -10.418 5.531 -6.082 1.00 14.23 N ATOM 425 CA SER A 28 -10.273 4.101 -6.281 1.00 3.01 C ATOM 426 C SER A 28 -8.906 3.779 -6.869 1.00 12.14 C ATOM 427 O SER A 28 -8.665 3.985 -8.061 1.00 73.25 O ATOM 428 CB SER A 28 -11.381 3.585 -7.200 1.00 44.40 C ATOM 429 OG SER A 28 -12.659 4.015 -6.751 1.00 72.41 O ATOM 0 H SER A 28 -10.970 6.003 -6.798 1.00 14.23 H new ATOM 0 HA SER A 28 -10.356 3.604 -5.314 1.00 3.01 H new ATOM 0 HB2 SER A 28 -11.210 3.941 -8.216 1.00 44.40 H new ATOM 0 HB3 SER A 28 -11.352 2.496 -7.234 1.00 44.40 H new ATOM 0 HG SER A 28 -13.350 3.674 -7.356 1.00 72.41 H new ATOM 435 N ALA A 29 -8.006 3.307 -6.023 1.00 23.00 N ATOM 436 CA ALA A 29 -6.682 2.925 -6.464 1.00 41.13 C ATOM 437 C ALA A 29 -6.259 1.620 -5.811 1.00 35.32 C ATOM 438 O ALA A 29 -6.261 1.493 -4.587 1.00 53.51 O ATOM 439 CB ALA A 29 -5.679 4.027 -6.159 1.00 4.03 C ATOM 0 H ALA A 29 -8.172 3.180 -5.025 1.00 23.00 H new ATOM 0 HA ALA A 29 -6.708 2.775 -7.543 1.00 41.13 H new ATOM 0 HB1 ALA A 29 -4.689 3.722 -6.498 1.00 4.03 H new ATOM 0 HB2 ALA A 29 -5.974 4.940 -6.676 1.00 4.03 H new ATOM 0 HB3 ALA A 29 -5.655 4.210 -5.085 1.00 4.03 H new ATOM 445 N ASP A 30 -5.918 0.647 -6.632 1.00 62.31 N ATOM 446 CA ASP A 30 -5.467 -0.640 -6.131 1.00 65.32 C ATOM 447 C ASP A 30 -3.951 -0.718 -6.212 1.00 12.52 C ATOM 448 O ASP A 30 -3.340 -0.177 -7.139 1.00 30.41 O ATOM 449 CB ASP A 30 -6.104 -1.791 -6.920 1.00 62.44 C ATOM 450 CG ASP A 30 -5.637 -1.861 -8.362 1.00 12.32 C ATOM 451 OD1 ASP A 30 -6.010 -0.977 -9.162 1.00 31.32 O ATOM 452 OD2 ASP A 30 -4.909 -2.813 -8.714 1.00 21.30 O ATOM 0 H ASP A 30 -5.944 0.721 -7.649 1.00 62.31 H new ATOM 0 HA ASP A 30 -5.777 -0.736 -5.090 1.00 65.32 H new ATOM 0 HB2 ASP A 30 -5.873 -2.734 -6.424 1.00 62.44 H new ATOM 0 HB3 ASP A 30 -7.188 -1.679 -6.901 1.00 62.44 H new ATOM 457 N ALA A 31 -3.348 -1.358 -5.227 1.00 11.11 N ATOM 458 CA ALA A 31 -1.909 -1.531 -5.203 1.00 44.13 C ATOM 459 C ALA A 31 -1.555 -3.008 -5.248 1.00 52.41 C ATOM 460 O ALA A 31 -1.633 -3.707 -4.238 1.00 73.44 O ATOM 461 CB ALA A 31 -1.307 -0.870 -3.972 1.00 13.22 C ATOM 0 H ALA A 31 -3.836 -1.768 -4.430 1.00 11.11 H new ATOM 0 HA ALA A 31 -1.488 -1.048 -6.085 1.00 44.13 H new ATOM 0 HB1 ALA A 31 -0.226 -1.012 -3.974 1.00 13.22 H new ATOM 0 HB2 ALA A 31 -1.533 0.196 -3.985 1.00 13.22 H new ATOM 0 HB3 ALA A 31 -1.730 -1.320 -3.074 1.00 13.22 H new ATOM 467 N ARG A 32 -1.198 -3.479 -6.430 1.00 22.51 N ATOM 468 CA ARG A 32 -0.822 -4.869 -6.612 1.00 23.43 C ATOM 469 C ARG A 32 0.585 -4.977 -7.184 1.00 22.20 C ATOM 470 O ARG A 32 0.814 -4.733 -8.373 1.00 2.40 O ATOM 471 CB ARG A 32 -1.831 -5.602 -7.504 1.00 12.14 C ATOM 472 CG ARG A 32 -2.274 -4.810 -8.722 1.00 72.45 C ATOM 473 CD ARG A 32 -3.187 -5.634 -9.615 1.00 73.14 C ATOM 474 NE ARG A 32 -3.911 -4.809 -10.582 1.00 53.20 N ATOM 475 CZ ARG A 32 -4.110 -5.152 -11.854 1.00 15.20 C ATOM 476 NH1 ARG A 32 -3.540 -6.243 -12.351 1.00 2.02 N ATOM 477 NH2 ARG A 32 -4.876 -4.396 -12.629 1.00 11.54 N ATOM 0 H ARG A 32 -1.161 -2.917 -7.280 1.00 22.51 H new ATOM 0 HA ARG A 32 -0.830 -5.350 -5.634 1.00 23.43 H new ATOM 0 HB2 ARG A 32 -1.390 -6.542 -7.836 1.00 12.14 H new ATOM 0 HB3 ARG A 32 -2.709 -5.854 -6.909 1.00 12.14 H new ATOM 0 HG2 ARG A 32 -2.794 -3.907 -8.402 1.00 72.45 H new ATOM 0 HG3 ARG A 32 -1.399 -4.491 -9.289 1.00 72.45 H new ATOM 0 HD2 ARG A 32 -2.595 -6.379 -10.147 1.00 73.14 H new ATOM 0 HD3 ARG A 32 -3.902 -6.177 -8.997 1.00 73.14 H new ATOM 0 HE ARG A 32 -4.287 -3.916 -10.263 1.00 53.20 H new ATOM 0 HH11 ARG A 32 -2.946 -6.823 -11.758 1.00 2.02 H new ATOM 0 HH12 ARG A 32 -3.696 -6.501 -13.325 1.00 2.02 H new ATOM 0 HH21 ARG A 32 -5.311 -3.554 -12.251 1.00 11.54 H new ATOM 0 HH22 ARG A 32 -5.030 -4.656 -13.603 1.00 11.54 H new ATOM 491 N PHE A 33 1.525 -5.311 -6.317 1.00 53.43 N ATOM 492 CA PHE A 33 2.906 -5.511 -6.710 1.00 64.10 C ATOM 493 C PHE A 33 3.374 -6.876 -6.238 1.00 20.04 C ATOM 494 O PHE A 33 2.648 -7.571 -5.521 1.00 71.21 O ATOM 495 CB PHE A 33 3.800 -4.417 -6.118 1.00 23.23 C ATOM 496 CG PHE A 33 3.417 -3.026 -6.538 1.00 11.21 C ATOM 497 CD1 PHE A 33 3.863 -2.505 -7.743 1.00 31.15 C ATOM 498 CD2 PHE A 33 2.615 -2.239 -5.728 1.00 4.03 C ATOM 499 CE1 PHE A 33 3.516 -1.223 -8.128 1.00 4.32 C ATOM 500 CE2 PHE A 33 2.266 -0.959 -6.109 1.00 0.45 C ATOM 501 CZ PHE A 33 2.715 -0.451 -7.312 1.00 4.44 C ATOM 0 H PHE A 33 1.351 -5.451 -5.322 1.00 53.43 H new ATOM 0 HA PHE A 33 2.974 -5.458 -7.797 1.00 64.10 H new ATOM 0 HB2 PHE A 33 3.764 -4.481 -5.030 1.00 23.23 H new ATOM 0 HB3 PHE A 33 4.832 -4.605 -6.414 1.00 23.23 H new ATOM 0 HD1 PHE A 33 4.487 -3.106 -8.387 1.00 31.15 H new ATOM 0 HD2 PHE A 33 2.259 -2.632 -4.787 1.00 4.03 H new ATOM 0 HE1 PHE A 33 3.872 -0.826 -9.067 1.00 4.32 H new ATOM 0 HE2 PHE A 33 1.642 -0.355 -5.467 1.00 0.45 H new ATOM 0 HZ PHE A 33 2.440 0.549 -7.614 1.00 4.44 H new ATOM 511 N SER A 34 4.572 -7.264 -6.643 1.00 34.25 N ATOM 512 CA SER A 34 5.139 -8.534 -6.235 1.00 11.34 C ATOM 513 C SER A 34 5.442 -8.526 -4.735 1.00 3.22 C ATOM 514 O SER A 34 5.844 -7.500 -4.181 1.00 74.05 O ATOM 515 CB SER A 34 6.401 -8.826 -7.054 1.00 25.33 C ATOM 516 OG SER A 34 7.238 -7.682 -7.128 1.00 32.41 O ATOM 0 H SER A 34 5.172 -6.713 -7.257 1.00 34.25 H new ATOM 0 HA SER A 34 4.415 -9.327 -6.424 1.00 11.34 H new ATOM 0 HB2 SER A 34 6.949 -9.653 -6.601 1.00 25.33 H new ATOM 0 HB3 SER A 34 6.121 -9.141 -8.059 1.00 25.33 H new ATOM 0 HG SER A 34 8.037 -7.895 -7.654 1.00 32.41 H new ATOM 522 N PRO A 35 5.252 -9.673 -4.058 1.00 61.13 N ATOM 523 CA PRO A 35 5.456 -9.789 -2.606 1.00 65.31 C ATOM 524 C PRO A 35 6.914 -9.588 -2.192 1.00 53.43 C ATOM 525 O PRO A 35 7.249 -9.605 -1.007 1.00 51.41 O ATOM 526 CB PRO A 35 5.012 -11.225 -2.296 1.00 43.22 C ATOM 527 CG PRO A 35 5.125 -11.954 -3.587 1.00 2.30 C ATOM 528 CD PRO A 35 4.811 -10.946 -4.654 1.00 53.04 C ATOM 0 HA PRO A 35 4.901 -9.024 -2.063 1.00 65.31 H new ATOM 0 HB2 PRO A 35 5.645 -11.677 -1.532 1.00 43.22 H new ATOM 0 HB3 PRO A 35 3.990 -11.249 -1.918 1.00 43.22 H new ATOM 0 HG2 PRO A 35 6.126 -12.364 -3.718 1.00 2.30 H new ATOM 0 HG3 PRO A 35 4.430 -12.793 -3.625 1.00 2.30 H new ATOM 0 HD2 PRO A 35 5.343 -11.162 -5.581 1.00 53.04 H new ATOM 0 HD3 PRO A 35 3.748 -10.931 -4.893 1.00 53.04 H new ATOM 536 N GLN A 36 7.781 -9.400 -3.175 1.00 33.43 N ATOM 537 CA GLN A 36 9.194 -9.179 -2.923 1.00 73.50 C ATOM 538 C GLN A 36 9.462 -7.702 -2.655 1.00 34.41 C ATOM 539 O GLN A 36 10.566 -7.316 -2.269 1.00 43.25 O ATOM 540 CB GLN A 36 10.012 -9.678 -4.115 1.00 0.33 C ATOM 541 CG GLN A 36 9.852 -11.173 -4.359 1.00 43.33 C ATOM 542 CD GLN A 36 10.489 -11.644 -5.650 1.00 30.43 C ATOM 543 OE1 GLN A 36 11.477 -11.076 -6.117 1.00 2.03 O ATOM 544 NE2 GLN A 36 9.930 -12.695 -6.229 1.00 5.21 N ATOM 0 H GLN A 36 7.526 -9.396 -4.163 1.00 33.43 H new ATOM 0 HA GLN A 36 9.493 -9.738 -2.036 1.00 73.50 H new ATOM 0 HB2 GLN A 36 9.709 -9.134 -5.010 1.00 0.33 H new ATOM 0 HB3 GLN A 36 11.065 -9.453 -3.946 1.00 0.33 H new ATOM 0 HG2 GLN A 36 10.293 -11.719 -3.525 1.00 43.33 H new ATOM 0 HG3 GLN A 36 8.790 -11.419 -4.376 1.00 43.33 H new ATOM 0 HE21 GLN A 36 9.112 -13.135 -5.807 1.00 5.21 H new ATOM 0 HE22 GLN A 36 10.317 -13.065 -7.097 1.00 5.21 H new ATOM 553 N MET A 37 8.435 -6.883 -2.848 1.00 60.53 N ATOM 554 CA MET A 37 8.522 -5.455 -2.579 1.00 72.13 C ATOM 555 C MET A 37 8.294 -5.180 -1.093 1.00 73.52 C ATOM 556 O MET A 37 7.604 -5.941 -0.411 1.00 62.33 O ATOM 557 CB MET A 37 7.493 -4.691 -3.428 1.00 54.05 C ATOM 558 CG MET A 37 7.443 -3.196 -3.141 1.00 11.53 C ATOM 559 SD MET A 37 6.241 -2.319 -4.163 1.00 40.45 S ATOM 560 CE MET A 37 6.233 -0.713 -3.367 1.00 53.22 C ATOM 0 H MET A 37 7.525 -7.188 -3.193 1.00 60.53 H new ATOM 0 HA MET A 37 9.521 -5.109 -2.846 1.00 72.13 H new ATOM 0 HB2 MET A 37 7.724 -4.841 -4.483 1.00 54.05 H new ATOM 0 HB3 MET A 37 6.505 -5.117 -3.254 1.00 54.05 H new ATOM 0 HG2 MET A 37 7.199 -3.042 -2.090 1.00 11.53 H new ATOM 0 HG3 MET A 37 8.432 -2.767 -3.305 1.00 11.53 H new ATOM 0 HE1 MET A 37 5.281 -0.217 -3.558 1.00 53.22 H new ATOM 0 HE2 MET A 37 6.368 -0.839 -2.293 1.00 53.22 H new ATOM 0 HE3 MET A 37 7.045 -0.105 -3.766 1.00 53.22 H new ATOM 570 N SER A 38 8.895 -4.108 -0.597 1.00 71.35 N ATOM 571 CA SER A 38 8.698 -3.680 0.777 1.00 22.12 C ATOM 572 C SER A 38 8.128 -2.263 0.806 1.00 4.32 C ATOM 573 O SER A 38 8.172 -1.553 -0.206 1.00 21.13 O ATOM 574 CB SER A 38 10.029 -3.738 1.530 1.00 34.20 C ATOM 575 OG SER A 38 11.050 -3.056 0.816 1.00 53.11 O ATOM 0 H SER A 38 9.529 -3.515 -1.133 1.00 71.35 H new ATOM 0 HA SER A 38 7.988 -4.348 1.265 1.00 22.12 H new ATOM 0 HB2 SER A 38 9.911 -3.292 2.518 1.00 34.20 H new ATOM 0 HB3 SER A 38 10.319 -4.778 1.682 1.00 34.20 H new ATOM 0 HG SER A 38 11.890 -3.106 1.319 1.00 53.11 H new ATOM 581 N VAL A 39 7.600 -1.846 1.955 1.00 73.40 N ATOM 582 CA VAL A 39 7.054 -0.499 2.100 1.00 33.12 C ATOM 583 C VAL A 39 8.173 0.538 1.966 1.00 5.21 C ATOM 584 O VAL A 39 7.936 1.702 1.645 1.00 25.13 O ATOM 585 CB VAL A 39 6.319 -0.328 3.452 1.00 71.22 C ATOM 586 CG1 VAL A 39 7.292 -0.391 4.616 1.00 54.15 C ATOM 587 CG2 VAL A 39 5.522 0.966 3.484 1.00 43.14 C ATOM 0 H VAL A 39 7.539 -2.420 2.796 1.00 73.40 H new ATOM 0 HA VAL A 39 6.325 -0.343 1.305 1.00 33.12 H new ATOM 0 HB VAL A 39 5.618 -1.157 3.553 1.00 71.22 H new ATOM 0 HG11 VAL A 39 6.748 -0.268 5.552 1.00 54.15 H new ATOM 0 HG12 VAL A 39 7.799 -1.356 4.615 1.00 54.15 H new ATOM 0 HG13 VAL A 39 8.029 0.406 4.518 1.00 54.15 H new ATOM 0 HG21 VAL A 39 5.017 1.059 4.445 1.00 43.14 H new ATOM 0 HG22 VAL A 39 6.196 1.812 3.345 1.00 43.14 H new ATOM 0 HG23 VAL A 39 4.781 0.957 2.684 1.00 43.14 H new ATOM 597 N GLU A 40 9.397 0.081 2.191 1.00 15.34 N ATOM 598 CA GLU A 40 10.592 0.895 2.010 1.00 11.35 C ATOM 599 C GLU A 40 10.640 1.496 0.602 1.00 21.25 C ATOM 600 O GLU A 40 11.051 2.642 0.414 1.00 0.40 O ATOM 601 CB GLU A 40 11.818 0.012 2.252 1.00 13.42 C ATOM 602 CG GLU A 40 13.150 0.698 2.021 1.00 3.44 C ATOM 603 CD GLU A 40 14.307 -0.271 2.136 1.00 54.10 C ATOM 604 OE1 GLU A 40 14.663 -0.900 1.120 1.00 24.34 O ATOM 605 OE2 GLU A 40 14.853 -0.428 3.245 1.00 4.21 O ATOM 0 H GLU A 40 9.590 -0.870 2.506 1.00 15.34 H new ATOM 0 HA GLU A 40 10.578 1.723 2.719 1.00 11.35 H new ATOM 0 HB2 GLU A 40 11.787 -0.355 3.278 1.00 13.42 H new ATOM 0 HB3 GLU A 40 11.756 -0.859 1.600 1.00 13.42 H new ATOM 0 HG2 GLU A 40 13.156 1.156 1.032 1.00 3.44 H new ATOM 0 HG3 GLU A 40 13.276 1.502 2.746 1.00 3.44 H new ATOM 612 N ALA A 41 10.183 0.723 -0.377 1.00 22.03 N ATOM 613 CA ALA A 41 10.242 1.130 -1.772 1.00 75.23 C ATOM 614 C ALA A 41 9.278 2.279 -2.068 1.00 20.03 C ATOM 615 O ALA A 41 9.582 3.157 -2.875 1.00 72.22 O ATOM 616 CB ALA A 41 9.947 -0.057 -2.677 1.00 2.10 C ATOM 0 H ALA A 41 9.765 -0.195 -0.226 1.00 22.03 H new ATOM 0 HA ALA A 41 11.251 1.490 -1.971 1.00 75.23 H new ATOM 0 HB1 ALA A 41 9.994 0.259 -3.719 1.00 2.10 H new ATOM 0 HB2 ALA A 41 10.685 -0.840 -2.502 1.00 2.10 H new ATOM 0 HB3 ALA A 41 8.951 -0.442 -2.459 1.00 2.10 H new ATOM 622 N VAL A 42 8.121 2.284 -1.415 1.00 31.33 N ATOM 623 CA VAL A 42 7.131 3.323 -1.669 1.00 24.24 C ATOM 624 C VAL A 42 7.460 4.576 -0.857 1.00 20.53 C ATOM 625 O VAL A 42 7.153 5.694 -1.274 1.00 75.34 O ATOM 626 CB VAL A 42 5.683 2.846 -1.382 1.00 54.33 C ATOM 627 CG1 VAL A 42 5.450 2.610 0.103 1.00 15.44 C ATOM 628 CG2 VAL A 42 4.670 3.840 -1.937 1.00 73.32 C ATOM 0 H VAL A 42 7.849 1.592 -0.717 1.00 31.33 H new ATOM 0 HA VAL A 42 7.177 3.563 -2.731 1.00 24.24 H new ATOM 0 HB VAL A 42 5.546 1.891 -1.889 1.00 54.33 H new ATOM 0 HG11 VAL A 42 4.424 2.277 0.262 1.00 15.44 H new ATOM 0 HG12 VAL A 42 6.139 1.846 0.463 1.00 15.44 H new ATOM 0 HG13 VAL A 42 5.619 3.538 0.650 1.00 15.44 H new ATOM 0 HG21 VAL A 42 3.661 3.487 -1.725 1.00 73.32 H new ATOM 0 HG22 VAL A 42 4.820 4.813 -1.468 1.00 73.32 H new ATOM 0 HG23 VAL A 42 4.804 3.932 -3.015 1.00 73.32 H new ATOM 638 N LYS A 43 8.108 4.382 0.288 1.00 34.20 N ATOM 639 CA LYS A 43 8.580 5.503 1.095 1.00 21.22 C ATOM 640 C LYS A 43 9.608 6.314 0.319 1.00 65.44 C ATOM 641 O LYS A 43 9.452 7.522 0.137 1.00 41.11 O ATOM 642 CB LYS A 43 9.193 5.003 2.405 1.00 24.42 C ATOM 643 CG LYS A 43 8.166 4.626 3.460 1.00 23.33 C ATOM 644 CD LYS A 43 7.356 5.838 3.897 1.00 65.55 C ATOM 645 CE LYS A 43 6.332 5.490 4.968 1.00 13.33 C ATOM 646 NZ LYS A 43 6.972 5.064 6.237 1.00 52.05 N ATOM 0 H LYS A 43 8.318 3.463 0.677 1.00 34.20 H new ATOM 0 HA LYS A 43 7.727 6.140 1.329 1.00 21.22 H new ATOM 0 HB2 LYS A 43 9.819 4.136 2.194 1.00 24.42 H new ATOM 0 HB3 LYS A 43 9.846 5.777 2.808 1.00 24.42 H new ATOM 0 HG2 LYS A 43 7.497 3.862 3.064 1.00 23.33 H new ATOM 0 HG3 LYS A 43 8.670 4.192 4.323 1.00 23.33 H new ATOM 0 HD2 LYS A 43 8.030 6.605 4.277 1.00 65.55 H new ATOM 0 HD3 LYS A 43 6.845 6.262 3.033 1.00 65.55 H new ATOM 0 HE2 LYS A 43 5.697 6.356 5.156 1.00 13.33 H new ATOM 0 HE3 LYS A 43 5.684 4.692 4.604 1.00 13.33 H new ATOM 0 HZ1 LYS A 43 6.249 4.984 6.981 1.00 52.05 H new ATOM 0 HZ2 LYS A 43 7.432 4.141 6.101 1.00 52.05 H new ATOM 0 HZ3 LYS A 43 7.684 5.768 6.520 1.00 52.05 H new ATOM 660 N GLU A 44 10.639 5.627 -0.163 1.00 54.02 N ATOM 661 CA GLU A 44 11.701 6.263 -0.932 1.00 70.32 C ATOM 662 C GLU A 44 11.139 6.905 -2.201 1.00 34.23 C ATOM 663 O GLU A 44 11.600 7.962 -2.634 1.00 23.00 O ATOM 664 CB GLU A 44 12.773 5.228 -1.294 1.00 61.13 C ATOM 665 CG GLU A 44 13.989 5.821 -1.983 1.00 53.21 C ATOM 666 CD GLU A 44 14.948 4.762 -2.476 1.00 21.24 C ATOM 667 OE1 GLU A 44 15.799 4.304 -1.686 1.00 70.34 O ATOM 668 OE2 GLU A 44 14.853 4.378 -3.662 1.00 21.15 O ATOM 0 H GLU A 44 10.761 4.623 -0.033 1.00 54.02 H new ATOM 0 HA GLU A 44 12.151 7.046 -0.322 1.00 70.32 H new ATOM 0 HB2 GLU A 44 13.094 4.718 -0.386 1.00 61.13 H new ATOM 0 HB3 GLU A 44 12.331 4.473 -1.944 1.00 61.13 H new ATOM 0 HG2 GLU A 44 13.664 6.432 -2.825 1.00 53.21 H new ATOM 0 HG3 GLU A 44 14.508 6.483 -1.290 1.00 53.21 H new ATOM 675 N LYS A 45 10.128 6.261 -2.781 1.00 1.22 N ATOM 676 CA LYS A 45 9.510 6.751 -4.008 1.00 74.11 C ATOM 677 C LYS A 45 8.867 8.116 -3.784 1.00 15.45 C ATOM 678 O LYS A 45 9.161 9.073 -4.498 1.00 21.10 O ATOM 679 CB LYS A 45 8.453 5.764 -4.509 1.00 3.33 C ATOM 680 CG LYS A 45 7.867 6.144 -5.861 1.00 11.33 C ATOM 681 CD LYS A 45 6.709 5.235 -6.249 1.00 4.45 C ATOM 682 CE LYS A 45 7.125 3.774 -6.294 1.00 72.42 C ATOM 683 NZ LYS A 45 6.024 2.896 -6.774 1.00 24.41 N ATOM 0 H LYS A 45 9.720 5.399 -2.420 1.00 1.22 H new ATOM 0 HA LYS A 45 10.293 6.849 -4.760 1.00 74.11 H new ATOM 0 HB2 LYS A 45 8.897 4.771 -4.580 1.00 3.33 H new ATOM 0 HB3 LYS A 45 7.648 5.702 -3.777 1.00 3.33 H new ATOM 0 HG2 LYS A 45 7.524 7.178 -5.831 1.00 11.33 H new ATOM 0 HG3 LYS A 45 8.644 6.088 -6.623 1.00 11.33 H new ATOM 0 HD2 LYS A 45 5.895 5.359 -5.534 1.00 4.45 H new ATOM 0 HD3 LYS A 45 6.325 5.533 -7.224 1.00 4.45 H new ATOM 0 HE2 LYS A 45 7.989 3.663 -6.949 1.00 72.42 H new ATOM 0 HE3 LYS A 45 7.436 3.455 -5.299 1.00 72.42 H new ATOM 0 HZ1 LYS A 45 6.349 1.908 -6.790 1.00 24.41 H new ATOM 0 HZ2 LYS A 45 5.208 2.982 -6.135 1.00 24.41 H new ATOM 0 HZ3 LYS A 45 5.744 3.183 -7.733 1.00 24.41 H new ATOM 697 N LEU A 46 8.002 8.202 -2.780 1.00 32.51 N ATOM 698 CA LEU A 46 7.285 9.440 -2.492 1.00 53.40 C ATOM 699 C LEU A 46 8.226 10.494 -1.920 1.00 44.31 C ATOM 700 O LEU A 46 8.007 11.696 -2.097 1.00 20.40 O ATOM 701 CB LEU A 46 6.126 9.183 -1.526 1.00 64.23 C ATOM 702 CG LEU A 46 5.022 8.275 -2.072 1.00 12.10 C ATOM 703 CD1 LEU A 46 3.922 8.098 -1.038 1.00 64.42 C ATOM 704 CD2 LEU A 46 4.450 8.843 -3.363 1.00 32.34 C ATOM 0 H LEU A 46 7.780 7.430 -2.152 1.00 32.51 H new ATOM 0 HA LEU A 46 6.878 9.817 -3.430 1.00 53.40 H new ATOM 0 HB2 LEU A 46 6.524 8.738 -0.614 1.00 64.23 H new ATOM 0 HB3 LEU A 46 5.685 10.140 -1.248 1.00 64.23 H new ATOM 0 HG LEU A 46 5.456 7.299 -2.289 1.00 12.10 H new ATOM 0 HD11 LEU A 46 3.144 7.450 -1.442 1.00 64.42 H new ATOM 0 HD12 LEU A 46 4.339 7.648 -0.137 1.00 64.42 H new ATOM 0 HD13 LEU A 46 3.493 9.070 -0.793 1.00 64.42 H new ATOM 0 HD21 LEU A 46 3.667 8.183 -3.735 1.00 32.34 H new ATOM 0 HD22 LEU A 46 4.031 9.831 -3.172 1.00 32.34 H new ATOM 0 HD23 LEU A 46 5.242 8.922 -4.108 1.00 32.34 H new ATOM 716 N TRP A 47 9.274 10.031 -1.250 1.00 52.15 N ATOM 717 CA TRP A 47 10.297 10.913 -0.700 1.00 22.51 C ATOM 718 C TRP A 47 10.886 11.814 -1.783 1.00 34.22 C ATOM 719 O TRP A 47 10.872 13.036 -1.656 1.00 34.40 O ATOM 720 CB TRP A 47 11.394 10.080 -0.026 1.00 54.41 C ATOM 721 CG TRP A 47 12.598 10.872 0.384 1.00 40.31 C ATOM 722 CD1 TRP A 47 12.698 11.735 1.435 1.00 61.33 C ATOM 723 CD2 TRP A 47 13.877 10.864 -0.255 1.00 51.14 C ATOM 724 NE1 TRP A 47 13.965 12.270 1.485 1.00 35.21 N ATOM 725 CE2 TRP A 47 14.709 11.744 0.459 1.00 34.30 C ATOM 726 CE3 TRP A 47 14.400 10.186 -1.359 1.00 62.35 C ATOM 727 CZ2 TRP A 47 16.034 11.973 0.093 1.00 5.51 C ATOM 728 CZ3 TRP A 47 15.712 10.414 -1.720 1.00 51.34 C ATOM 729 CH2 TRP A 47 16.519 11.298 -0.994 1.00 11.32 C ATOM 0 H TRP A 47 9.439 9.040 -1.073 1.00 52.15 H new ATOM 0 HA TRP A 47 9.835 11.558 0.048 1.00 22.51 H new ATOM 0 HB2 TRP A 47 10.976 9.593 0.855 1.00 54.41 H new ATOM 0 HB3 TRP A 47 11.707 9.290 -0.709 1.00 54.41 H new ATOM 0 HD1 TRP A 47 11.901 11.965 2.126 1.00 61.33 H new ATOM 0 HE1 TRP A 47 14.297 12.947 2.172 1.00 35.21 H new ATOM 0 HE3 TRP A 47 13.788 9.495 -1.920 1.00 62.35 H new ATOM 0 HZ2 TRP A 47 16.656 12.659 0.648 1.00 5.51 H new ATOM 0 HZ3 TRP A 47 16.123 9.902 -2.577 1.00 51.34 H new ATOM 0 HH2 TRP A 47 17.544 11.450 -1.298 1.00 11.32 H new ATOM 740 N LYS A 48 11.363 11.214 -2.869 1.00 10.02 N ATOM 741 CA LYS A 48 11.970 11.981 -3.953 1.00 24.54 C ATOM 742 C LYS A 48 10.928 12.383 -4.993 1.00 62.11 C ATOM 743 O LYS A 48 11.268 12.867 -6.072 1.00 31.25 O ATOM 744 CB LYS A 48 13.095 11.188 -4.624 1.00 71.41 C ATOM 745 CG LYS A 48 12.641 9.877 -5.246 1.00 75.33 C ATOM 746 CD LYS A 48 13.733 9.239 -6.097 1.00 41.15 C ATOM 747 CE LYS A 48 13.879 9.917 -7.458 1.00 45.11 C ATOM 748 NZ LYS A 48 14.463 11.283 -7.366 1.00 54.24 N ATOM 0 H LYS A 48 11.342 10.206 -3.022 1.00 10.02 H new ATOM 0 HA LYS A 48 12.392 12.886 -3.515 1.00 24.54 H new ATOM 0 HB2 LYS A 48 13.551 11.807 -5.397 1.00 71.41 H new ATOM 0 HB3 LYS A 48 13.869 10.979 -3.886 1.00 71.41 H new ATOM 0 HG2 LYS A 48 12.346 9.185 -4.457 1.00 75.33 H new ATOM 0 HG3 LYS A 48 11.759 10.054 -5.862 1.00 75.33 H new ATOM 0 HD2 LYS A 48 14.682 9.291 -5.564 1.00 41.15 H new ATOM 0 HD3 LYS A 48 13.506 8.183 -6.242 1.00 41.15 H new ATOM 0 HE2 LYS A 48 14.509 9.301 -8.099 1.00 45.11 H new ATOM 0 HE3 LYS A 48 12.901 9.977 -7.935 1.00 45.11 H new ATOM 0 HZ1 LYS A 48 14.996 11.492 -8.234 1.00 54.24 H new ATOM 0 HZ2 LYS A 48 13.700 11.980 -7.252 1.00 54.24 H new ATOM 0 HZ3 LYS A 48 15.102 11.333 -6.547 1.00 54.24 H new ATOM 762 N LYS A 49 9.662 12.170 -4.671 1.00 32.15 N ATOM 763 CA LYS A 49 8.582 12.565 -5.559 1.00 34.50 C ATOM 764 C LYS A 49 7.964 13.871 -5.080 1.00 42.32 C ATOM 765 O LYS A 49 7.851 14.836 -5.837 1.00 64.24 O ATOM 766 CB LYS A 49 7.512 11.470 -5.624 1.00 50.13 C ATOM 767 CG LYS A 49 6.426 11.740 -6.653 1.00 75.55 C ATOM 768 CD LYS A 49 5.362 10.653 -6.656 1.00 42.03 C ATOM 769 CE LYS A 49 4.355 10.865 -7.776 1.00 24.42 C ATOM 770 NZ LYS A 49 4.969 10.682 -9.118 1.00 10.35 N ATOM 0 H LYS A 49 9.358 11.727 -3.804 1.00 32.15 H new ATOM 0 HA LYS A 49 8.991 12.710 -6.559 1.00 34.50 H new ATOM 0 HB2 LYS A 49 7.991 10.519 -5.855 1.00 50.13 H new ATOM 0 HB3 LYS A 49 7.052 11.365 -4.642 1.00 50.13 H new ATOM 0 HG2 LYS A 49 5.960 12.703 -6.444 1.00 75.55 H new ATOM 0 HG3 LYS A 49 6.875 11.811 -7.644 1.00 75.55 H new ATOM 0 HD2 LYS A 49 5.836 9.678 -6.771 1.00 42.03 H new ATOM 0 HD3 LYS A 49 4.845 10.645 -5.696 1.00 42.03 H new ATOM 0 HE2 LYS A 49 3.528 10.165 -7.657 1.00 24.42 H new ATOM 0 HE3 LYS A 49 3.937 11.869 -7.702 1.00 24.42 H new ATOM 0 HZ1 LYS A 49 4.220 10.599 -9.834 1.00 10.35 H new ATOM 0 HZ2 LYS A 49 5.570 11.501 -9.339 1.00 10.35 H new ATOM 0 HZ3 LYS A 49 5.547 9.818 -9.120 1.00 10.35 H new ATOM 784 N CYS A 50 7.571 13.899 -3.817 1.00 0.53 N ATOM 785 CA CYS A 50 6.927 15.068 -3.244 1.00 73.23 C ATOM 786 C CYS A 50 7.910 15.899 -2.421 1.00 42.00 C ATOM 787 O CYS A 50 7.693 17.090 -2.208 1.00 32.54 O ATOM 788 CB CYS A 50 5.742 14.638 -2.379 1.00 41.42 C ATOM 789 SG CYS A 50 4.463 13.735 -3.289 1.00 42.33 S ATOM 0 H CYS A 50 7.688 13.122 -3.167 1.00 0.53 H new ATOM 0 HA CYS A 50 6.568 15.693 -4.062 1.00 73.23 H new ATOM 0 HB2 CYS A 50 6.107 14.011 -1.565 1.00 41.42 H new ATOM 0 HB3 CYS A 50 5.296 15.523 -1.925 1.00 41.42 H new ATOM 0 HG CYS A 50 3.501 13.409 -2.477 1.00 42.33 H new ATOM 795 N GLY A 51 8.995 15.272 -1.972 1.00 40.43 N ATOM 796 CA GLY A 51 9.966 15.974 -1.151 1.00 3.22 C ATOM 797 C GLY A 51 9.397 16.349 0.200 1.00 10.42 C ATOM 798 O GLY A 51 9.640 17.445 0.706 1.00 33.21 O ATOM 0 H GLY A 51 9.218 14.295 -2.161 1.00 40.43 H new ATOM 0 HA2 GLY A 51 10.846 15.346 -1.013 1.00 3.22 H new ATOM 0 HA3 GLY A 51 10.296 16.875 -1.669 1.00 3.22 H new ATOM 802 N THR A 52 8.633 15.435 0.778 1.00 54.12 N ATOM 803 CA THR A 52 7.968 15.685 2.044 1.00 13.55 C ATOM 804 C THR A 52 8.665 14.927 3.171 1.00 14.02 C ATOM 805 O THR A 52 9.566 14.118 2.929 1.00 12.33 O ATOM 806 CB THR A 52 6.472 15.291 1.975 1.00 65.02 C ATOM 807 OG1 THR A 52 5.811 15.595 3.212 1.00 22.35 O ATOM 808 CG2 THR A 52 6.313 13.810 1.664 1.00 5.44 C ATOM 0 H THR A 52 8.459 14.509 0.387 1.00 54.12 H new ATOM 0 HA THR A 52 8.028 16.754 2.250 1.00 13.55 H new ATOM 0 HB THR A 52 6.014 15.870 1.173 1.00 65.02 H new ATOM 0 HG1 THR A 52 4.867 15.341 3.149 1.00 22.35 H new ATOM 0 HG21 THR A 52 5.253 13.559 1.621 1.00 5.44 H new ATOM 0 HG22 THR A 52 6.778 13.588 0.703 1.00 5.44 H new ATOM 0 HG23 THR A 52 6.794 13.221 2.445 1.00 5.44 H new ATOM 816 N SER A 53 8.250 15.197 4.397 1.00 32.04 N ATOM 817 CA SER A 53 8.857 14.588 5.564 1.00 1.24 C ATOM 818 C SER A 53 8.226 13.224 5.841 1.00 4.44 C ATOM 819 O SER A 53 7.000 13.073 5.798 1.00 74.24 O ATOM 820 CB SER A 53 8.689 15.515 6.766 1.00 42.43 C ATOM 821 OG SER A 53 9.160 16.823 6.471 1.00 23.24 O ATOM 0 H SER A 53 7.488 15.841 4.609 1.00 32.04 H new ATOM 0 HA SER A 53 9.920 14.436 5.380 1.00 1.24 H new ATOM 0 HB2 SER A 53 7.638 15.559 7.052 1.00 42.43 H new ATOM 0 HB3 SER A 53 9.235 15.112 7.619 1.00 42.43 H new ATOM 0 HG SER A 53 9.040 17.398 7.255 1.00 23.24 H new ATOM 827 N VAL A 54 9.066 12.234 6.126 1.00 73.03 N ATOM 828 CA VAL A 54 8.606 10.865 6.332 1.00 54.11 C ATOM 829 C VAL A 54 7.851 10.708 7.651 1.00 61.55 C ATOM 830 O VAL A 54 6.974 9.853 7.770 1.00 11.30 O ATOM 831 CB VAL A 54 9.773 9.857 6.280 1.00 61.51 C ATOM 832 CG1 VAL A 54 10.363 9.799 4.881 1.00 22.02 C ATOM 833 CG2 VAL A 54 10.849 10.214 7.296 1.00 44.43 C ATOM 0 H VAL A 54 10.074 12.356 6.220 1.00 73.03 H new ATOM 0 HA VAL A 54 7.919 10.648 5.514 1.00 54.11 H new ATOM 0 HB VAL A 54 9.380 8.872 6.535 1.00 61.51 H new ATOM 0 HG11 VAL A 54 11.185 9.083 4.862 1.00 22.02 H new ATOM 0 HG12 VAL A 54 9.594 9.487 4.174 1.00 22.02 H new ATOM 0 HG13 VAL A 54 10.734 10.785 4.601 1.00 22.02 H new ATOM 0 HG21 VAL A 54 11.660 9.487 7.238 1.00 44.43 H new ATOM 0 HG22 VAL A 54 11.238 11.209 7.080 1.00 44.43 H new ATOM 0 HG23 VAL A 54 10.421 10.201 8.299 1.00 44.43 H new ATOM 843 N ASN A 55 8.177 11.539 8.635 1.00 22.44 N ATOM 844 CA ASN A 55 7.500 11.491 9.930 1.00 42.25 C ATOM 845 C ASN A 55 6.073 12.009 9.795 1.00 62.41 C ATOM 846 O ASN A 55 5.180 11.621 10.546 1.00 1.24 O ATOM 847 CB ASN A 55 8.265 12.313 10.975 1.00 10.12 C ATOM 848 CG ASN A 55 7.695 12.166 12.376 1.00 61.34 C ATOM 849 OD1 ASN A 55 8.043 11.238 13.108 1.00 33.21 O ATOM 850 ND2 ASN A 55 6.836 13.090 12.770 1.00 63.42 N ATOM 0 H ASN A 55 8.903 12.252 8.563 1.00 22.44 H new ATOM 0 HA ASN A 55 7.471 10.454 10.264 1.00 42.25 H new ATOM 0 HB2 ASN A 55 9.310 12.004 10.979 1.00 10.12 H new ATOM 0 HB3 ASN A 55 8.245 13.364 10.689 1.00 10.12 H new ATOM 0 HD21 ASN A 55 6.438 13.049 13.708 1.00 63.42 H new ATOM 0 HD22 ASN A 55 6.571 13.844 12.136 1.00 63.42 H new ATOM 857 N SER A 56 5.867 12.875 8.812 1.00 13.34 N ATOM 858 CA SER A 56 4.552 13.437 8.542 1.00 34.45 C ATOM 859 C SER A 56 3.693 12.447 7.763 1.00 52.42 C ATOM 860 O SER A 56 2.491 12.653 7.585 1.00 24.43 O ATOM 861 CB SER A 56 4.695 14.737 7.750 1.00 34.21 C ATOM 862 OG SER A 56 5.591 15.623 8.400 1.00 3.44 O ATOM 0 H SER A 56 6.600 13.205 8.184 1.00 13.34 H new ATOM 0 HA SER A 56 4.063 13.646 9.493 1.00 34.45 H new ATOM 0 HB2 SER A 56 5.056 14.519 6.745 1.00 34.21 H new ATOM 0 HB3 SER A 56 3.720 15.212 7.642 1.00 34.21 H new ATOM 0 HG SER A 56 5.671 16.448 7.878 1.00 3.44 H new ATOM 868 N MET A 57 4.313 11.370 7.298 1.00 11.04 N ATOM 869 CA MET A 57 3.602 10.368 6.520 1.00 31.14 C ATOM 870 C MET A 57 3.127 9.235 7.424 1.00 50.34 C ATOM 871 O MET A 57 3.813 8.223 7.590 1.00 51.24 O ATOM 872 CB MET A 57 4.488 9.822 5.399 1.00 0.13 C ATOM 873 CG MET A 57 3.777 8.830 4.494 1.00 71.12 C ATOM 874 SD MET A 57 4.836 8.219 3.171 1.00 41.43 S ATOM 875 CE MET A 57 3.731 7.071 2.356 1.00 21.14 C ATOM 0 H MET A 57 5.302 11.170 7.446 1.00 11.04 H new ATOM 0 HA MET A 57 2.731 10.841 6.066 1.00 31.14 H new ATOM 0 HB2 MET A 57 4.853 10.654 4.797 1.00 0.13 H new ATOM 0 HB3 MET A 57 5.361 9.340 5.839 1.00 0.13 H new ATOM 0 HG2 MET A 57 3.424 7.988 5.090 1.00 71.12 H new ATOM 0 HG3 MET A 57 2.897 9.305 4.060 1.00 71.12 H new ATOM 0 HE1 MET A 57 4.270 6.545 1.568 1.00 21.14 H new ATOM 0 HE2 MET A 57 3.355 6.350 3.082 1.00 21.14 H new ATOM 0 HE3 MET A 57 2.895 7.618 1.921 1.00 21.14 H new ATOM 885 N ALA A 58 1.968 9.430 8.033 1.00 42.34 N ATOM 886 CA ALA A 58 1.376 8.421 8.895 1.00 52.22 C ATOM 887 C ALA A 58 0.495 7.484 8.080 1.00 42.03 C ATOM 888 O ALA A 58 -0.563 7.882 7.587 1.00 74.25 O ATOM 889 CB ALA A 58 0.579 9.081 10.012 1.00 34.32 C ATOM 0 H ALA A 58 1.416 10.283 7.945 1.00 42.34 H new ATOM 0 HA ALA A 58 2.174 7.833 9.348 1.00 52.22 H new ATOM 0 HB1 ALA A 58 0.141 8.313 10.650 1.00 34.32 H new ATOM 0 HB2 ALA A 58 1.239 9.713 10.606 1.00 34.32 H new ATOM 0 HB3 ALA A 58 -0.215 9.691 9.581 1.00 34.32 H new ATOM 895 N LEU A 59 0.951 6.254 7.916 1.00 34.35 N ATOM 896 CA LEU A 59 0.198 5.255 7.180 1.00 15.21 C ATOM 897 C LEU A 59 -0.724 4.496 8.121 1.00 41.45 C ATOM 898 O LEU A 59 -0.272 3.661 8.911 1.00 65.22 O ATOM 899 CB LEU A 59 1.142 4.283 6.471 1.00 42.50 C ATOM 900 CG LEU A 59 1.995 4.897 5.360 1.00 64.34 C ATOM 901 CD1 LEU A 59 2.942 3.859 4.785 1.00 11.12 C ATOM 902 CD2 LEU A 59 1.104 5.470 4.269 1.00 4.30 C ATOM 0 H LEU A 59 1.843 5.923 8.285 1.00 34.35 H new ATOM 0 HA LEU A 59 -0.404 5.763 6.427 1.00 15.21 H new ATOM 0 HB2 LEU A 59 1.805 3.839 7.213 1.00 42.50 H new ATOM 0 HB3 LEU A 59 0.551 3.472 6.047 1.00 42.50 H new ATOM 0 HG LEU A 59 2.589 5.707 5.783 1.00 64.34 H new ATOM 0 HD11 LEU A 59 3.542 4.312 3.996 1.00 11.12 H new ATOM 0 HD12 LEU A 59 3.598 3.489 5.573 1.00 11.12 H new ATOM 0 HD13 LEU A 59 2.367 3.030 4.373 1.00 11.12 H new ATOM 0 HD21 LEU A 59 1.723 5.904 3.484 1.00 4.30 H new ATOM 0 HD22 LEU A 59 0.488 4.676 3.848 1.00 4.30 H new ATOM 0 HD23 LEU A 59 0.461 6.242 4.692 1.00 4.30 H new ATOM 914 N GLU A 60 -2.006 4.806 8.048 1.00 2.14 N ATOM 915 CA GLU A 60 -3.005 4.140 8.863 1.00 21.14 C ATOM 916 C GLU A 60 -3.342 2.777 8.277 1.00 34.10 C ATOM 917 O GLU A 60 -4.271 2.640 7.480 1.00 44.53 O ATOM 918 CB GLU A 60 -4.261 4.997 8.967 1.00 32.31 C ATOM 919 CG GLU A 60 -4.087 6.230 9.832 1.00 25.15 C ATOM 920 CD GLU A 60 -3.900 5.880 11.290 1.00 73.01 C ATOM 921 OE1 GLU A 60 -4.867 5.399 11.911 1.00 74.23 O ATOM 922 OE2 GLU A 60 -2.793 6.088 11.825 1.00 53.30 O ATOM 0 H GLU A 60 -2.382 5.522 7.426 1.00 2.14 H new ATOM 0 HA GLU A 60 -2.598 3.997 9.864 1.00 21.14 H new ATOM 0 HB2 GLU A 60 -4.564 5.306 7.966 1.00 32.31 H new ATOM 0 HB3 GLU A 60 -5.071 4.391 9.372 1.00 32.31 H new ATOM 0 HG2 GLU A 60 -3.225 6.799 9.483 1.00 25.15 H new ATOM 0 HG3 GLU A 60 -4.959 6.875 9.723 1.00 25.15 H new ATOM 929 N LEU A 61 -2.558 1.784 8.657 1.00 71.32 N ATOM 930 CA LEU A 61 -2.738 0.434 8.162 1.00 72.24 C ATOM 931 C LEU A 61 -3.699 -0.331 9.065 1.00 51.34 C ATOM 932 O LEU A 61 -3.343 -0.739 10.175 1.00 0.54 O ATOM 933 CB LEU A 61 -1.385 -0.278 8.086 1.00 51.53 C ATOM 934 CG LEU A 61 -1.387 -1.626 7.366 1.00 44.33 C ATOM 935 CD1 LEU A 61 -1.788 -1.455 5.910 1.00 40.02 C ATOM 936 CD2 LEU A 61 -0.020 -2.285 7.469 1.00 74.41 C ATOM 0 H LEU A 61 -1.784 1.891 9.313 1.00 71.32 H new ATOM 0 HA LEU A 61 -3.166 0.474 7.160 1.00 72.24 H new ATOM 0 HB2 LEU A 61 -0.676 0.380 7.584 1.00 51.53 H new ATOM 0 HB3 LEU A 61 -1.017 -0.429 9.101 1.00 51.53 H new ATOM 0 HG LEU A 61 -2.120 -2.273 7.849 1.00 44.33 H new ATOM 0 HD11 LEU A 61 -1.783 -2.426 5.415 1.00 40.02 H new ATOM 0 HD12 LEU A 61 -2.788 -1.025 5.856 1.00 40.02 H new ATOM 0 HD13 LEU A 61 -1.080 -0.791 5.413 1.00 40.02 H new ATOM 0 HD21 LEU A 61 -0.038 -3.244 6.951 1.00 74.41 H new ATOM 0 HD22 LEU A 61 0.730 -1.640 7.012 1.00 74.41 H new ATOM 0 HD23 LEU A 61 0.229 -2.444 8.518 1.00 74.41 H new ATOM 948 N TYR A 62 -4.925 -0.502 8.595 1.00 23.12 N ATOM 949 CA TYR A 62 -5.948 -1.192 9.366 1.00 30.24 C ATOM 950 C TYR A 62 -6.133 -2.612 8.857 1.00 4.45 C ATOM 951 O TYR A 62 -5.926 -2.887 7.672 1.00 1.45 O ATOM 952 CB TYR A 62 -7.293 -0.465 9.277 1.00 64.25 C ATOM 953 CG TYR A 62 -7.250 0.999 9.643 1.00 34.11 C ATOM 954 CD1 TYR A 62 -6.968 1.411 10.939 1.00 31.13 C ATOM 955 CD2 TYR A 62 -7.503 1.971 8.685 1.00 60.44 C ATOM 956 CE1 TYR A 62 -6.940 2.753 11.266 1.00 60.32 C ATOM 957 CE2 TYR A 62 -7.476 3.310 9.006 1.00 61.33 C ATOM 958 CZ TYR A 62 -7.194 3.696 10.295 1.00 51.43 C ATOM 959 OH TYR A 62 -7.165 5.036 10.611 1.00 32.43 O ATOM 0 H TYR A 62 -5.236 -0.172 7.682 1.00 23.12 H new ATOM 0 HA TYR A 62 -5.614 -1.208 10.404 1.00 30.24 H new ATOM 0 HB2 TYR A 62 -7.674 -0.559 8.260 1.00 64.25 H new ATOM 0 HB3 TYR A 62 -8.005 -0.967 9.932 1.00 64.25 H new ATOM 0 HD1 TYR A 62 -6.768 0.673 11.701 1.00 31.13 H new ATOM 0 HD2 TYR A 62 -7.725 1.672 7.671 1.00 60.44 H new ATOM 0 HE1 TYR A 62 -6.720 3.061 12.278 1.00 60.32 H new ATOM 0 HE2 TYR A 62 -7.675 4.053 8.248 1.00 61.33 H new ATOM 0 HH TYR A 62 -6.304 5.256 11.025 1.00 32.43 H new ATOM 969 N ASP A 63 -6.544 -3.502 9.750 1.00 42.24 N ATOM 970 CA ASP A 63 -6.896 -4.869 9.373 1.00 3.22 C ATOM 971 C ASP A 63 -8.344 -4.912 8.886 1.00 64.31 C ATOM 972 O ASP A 63 -8.855 -5.964 8.501 1.00 41.51 O ATOM 973 CB ASP A 63 -6.719 -5.814 10.565 1.00 53.50 C ATOM 974 CG ASP A 63 -7.918 -5.803 11.498 1.00 32.43 C ATOM 975 OD1 ASP A 63 -8.314 -4.710 11.969 1.00 1.02 O ATOM 976 OD2 ASP A 63 -8.495 -6.886 11.732 1.00 0.21 O ATOM 0 H ASP A 63 -6.643 -3.303 10.745 1.00 42.24 H new ATOM 0 HA ASP A 63 -6.235 -5.194 8.570 1.00 3.22 H new ATOM 0 HB2 ASP A 63 -6.556 -6.828 10.200 1.00 53.50 H new ATOM 0 HB3 ASP A 63 -5.827 -5.528 11.122 1.00 53.50 H new ATOM 981 N ASP A 64 -8.986 -3.743 8.945 1.00 22.25 N ATOM 982 CA ASP A 64 -10.366 -3.529 8.487 1.00 13.52 C ATOM 983 C ASP A 64 -11.386 -3.981 9.537 1.00 1.51 C ATOM 984 O ASP A 64 -12.593 -3.828 9.350 1.00 4.53 O ATOM 985 CB ASP A 64 -10.632 -4.206 7.134 1.00 71.03 C ATOM 986 CG ASP A 64 -11.963 -3.796 6.525 1.00 24.15 C ATOM 987 OD1 ASP A 64 -12.157 -2.590 6.273 1.00 31.01 O ATOM 988 OD2 ASP A 64 -12.822 -4.672 6.298 1.00 60.30 O ATOM 0 H ASP A 64 -8.554 -2.899 9.320 1.00 22.25 H new ATOM 0 HA ASP A 64 -10.488 -2.455 8.345 1.00 13.52 H new ATOM 0 HB2 ASP A 64 -9.828 -3.955 6.442 1.00 71.03 H new ATOM 0 HB3 ASP A 64 -10.614 -5.288 7.264 1.00 71.03 H new ATOM 993 N SER A 65 -10.908 -4.520 10.648 1.00 3.52 N ATOM 994 CA SER A 65 -11.790 -4.850 11.756 1.00 62.34 C ATOM 995 C SER A 65 -11.771 -3.722 12.781 1.00 41.32 C ATOM 996 O SER A 65 -12.802 -3.372 13.358 1.00 61.24 O ATOM 997 CB SER A 65 -11.369 -6.164 12.411 1.00 0.24 C ATOM 998 OG SER A 65 -11.129 -7.165 11.433 1.00 60.13 O ATOM 0 H SER A 65 -9.924 -4.736 10.806 1.00 3.52 H new ATOM 0 HA SER A 65 -12.803 -4.971 11.372 1.00 62.34 H new ATOM 0 HB2 SER A 65 -10.468 -6.007 13.004 1.00 0.24 H new ATOM 0 HB3 SER A 65 -12.148 -6.499 13.096 1.00 0.24 H new ATOM 0 HG SER A 65 -10.163 -7.287 11.320 1.00 60.13 H new ATOM 1004 N GLY A 66 -10.593 -3.146 12.993 1.00 71.03 N ATOM 1005 CA GLY A 66 -10.465 -2.034 13.916 1.00 44.53 C ATOM 1006 C GLY A 66 -9.101 -1.974 14.567 1.00 72.41 C ATOM 1007 O GLY A 66 -8.753 -0.978 15.209 1.00 75.11 O ATOM 0 H GLY A 66 -9.723 -3.430 12.542 1.00 71.03 H new ATOM 0 HA2 GLY A 66 -10.651 -1.101 13.384 1.00 44.53 H new ATOM 0 HA3 GLY A 66 -11.229 -2.118 14.689 1.00 44.53 H new ATOM 1011 N SER A 67 -8.322 -3.028 14.397 1.00 55.14 N ATOM 1012 CA SER A 67 -7.003 -3.094 14.998 1.00 20.10 C ATOM 1013 C SER A 67 -5.947 -2.564 14.034 1.00 3.12 C ATOM 1014 O SER A 67 -5.931 -2.916 12.850 1.00 40.13 O ATOM 1015 CB SER A 67 -6.680 -4.533 15.403 1.00 34.24 C ATOM 1016 OG SER A 67 -7.611 -5.008 16.363 1.00 20.13 O ATOM 0 H SER A 67 -8.580 -3.848 13.848 1.00 55.14 H new ATOM 0 HA SER A 67 -6.997 -2.468 15.891 1.00 20.10 H new ATOM 0 HB2 SER A 67 -6.698 -5.176 14.523 1.00 34.24 H new ATOM 0 HB3 SER A 67 -5.671 -4.582 15.813 1.00 34.24 H new ATOM 0 HG SER A 67 -7.387 -5.930 16.607 1.00 20.13 H new ATOM 1022 N LYS A 68 -5.087 -1.686 14.535 1.00 51.31 N ATOM 1023 CA LYS A 68 -3.980 -1.179 13.749 1.00 64.44 C ATOM 1024 C LYS A 68 -2.940 -2.279 13.558 1.00 1.34 C ATOM 1025 O LYS A 68 -2.510 -2.925 14.516 1.00 74.32 O ATOM 1026 CB LYS A 68 -3.341 0.051 14.412 1.00 33.15 C ATOM 1027 CG LYS A 68 -2.673 -0.235 15.753 1.00 53.24 C ATOM 1028 CD LYS A 68 -1.977 0.995 16.310 1.00 74.50 C ATOM 1029 CE LYS A 68 -1.153 0.663 17.547 1.00 54.04 C ATOM 1030 NZ LYS A 68 -1.978 0.047 18.618 1.00 13.55 N ATOM 0 H LYS A 68 -5.139 -1.313 15.483 1.00 51.31 H new ATOM 0 HA LYS A 68 -4.362 -0.869 12.776 1.00 64.44 H new ATOM 0 HB2 LYS A 68 -2.600 0.472 13.732 1.00 33.15 H new ATOM 0 HB3 LYS A 68 -4.109 0.811 14.556 1.00 33.15 H new ATOM 0 HG2 LYS A 68 -3.421 -0.583 16.465 1.00 53.24 H new ATOM 0 HG3 LYS A 68 -1.948 -1.040 15.634 1.00 53.24 H new ATOM 0 HD2 LYS A 68 -1.329 1.424 15.546 1.00 74.50 H new ATOM 0 HD3 LYS A 68 -2.720 1.752 16.560 1.00 74.50 H new ATOM 0 HE2 LYS A 68 -0.347 -0.018 17.273 1.00 54.04 H new ATOM 0 HE3 LYS A 68 -0.687 1.572 17.927 1.00 54.04 H new ATOM 0 HZ1 LYS A 68 -1.407 -0.054 19.481 1.00 13.55 H new ATOM 0 HZ2 LYS A 68 -2.800 0.653 18.815 1.00 13.55 H new ATOM 0 HZ3 LYS A 68 -2.306 -0.890 18.308 1.00 13.55 H new ATOM 1044 N VAL A 69 -2.563 -2.510 12.319 1.00 3.22 N ATOM 1045 CA VAL A 69 -1.570 -3.523 12.005 1.00 24.10 C ATOM 1046 C VAL A 69 -0.315 -2.858 11.450 1.00 52.20 C ATOM 1047 O VAL A 69 0.542 -3.502 10.844 1.00 42.12 O ATOM 1048 CB VAL A 69 -2.129 -4.565 11.005 1.00 71.05 C ATOM 1049 CG1 VAL A 69 -3.270 -5.349 11.636 1.00 13.53 C ATOM 1050 CG2 VAL A 69 -2.593 -3.894 9.723 1.00 31.01 C ATOM 0 H VAL A 69 -2.928 -2.010 11.508 1.00 3.22 H new ATOM 0 HA VAL A 69 -1.314 -4.055 12.921 1.00 24.10 H new ATOM 0 HB VAL A 69 -1.326 -5.258 10.754 1.00 71.05 H new ATOM 0 HG11 VAL A 69 -3.651 -6.077 10.920 1.00 13.53 H new ATOM 0 HG12 VAL A 69 -2.908 -5.868 12.523 1.00 13.53 H new ATOM 0 HG13 VAL A 69 -4.070 -4.664 11.918 1.00 13.53 H new ATOM 0 HG21 VAL A 69 -2.981 -4.648 9.038 1.00 31.01 H new ATOM 0 HG22 VAL A 69 -3.378 -3.174 9.953 1.00 31.01 H new ATOM 0 HG23 VAL A 69 -1.753 -3.379 9.258 1.00 31.01 H new ATOM 1060 N ALA A 70 -0.209 -1.556 11.701 1.00 62.23 N ATOM 1061 CA ALA A 70 0.897 -0.755 11.198 1.00 54.13 C ATOM 1062 C ALA A 70 2.117 -0.852 12.107 1.00 75.22 C ATOM 1063 O ALA A 70 2.571 0.146 12.668 1.00 53.13 O ATOM 1064 CB ALA A 70 0.467 0.697 11.044 1.00 23.23 C ATOM 0 H ALA A 70 -0.885 -1.031 12.256 1.00 62.23 H new ATOM 0 HA ALA A 70 1.178 -1.150 10.222 1.00 54.13 H new ATOM 0 HB1 ALA A 70 1.303 1.286 10.667 1.00 23.23 H new ATOM 0 HB2 ALA A 70 -0.365 0.758 10.342 1.00 23.23 H new ATOM 0 HB3 ALA A 70 0.155 1.089 12.012 1.00 23.23 H new ATOM 1070 N VAL A 71 2.628 -2.061 12.264 1.00 60.32 N ATOM 1071 CA VAL A 71 3.874 -2.275 12.979 1.00 31.21 C ATOM 1072 C VAL A 71 4.920 -2.838 12.017 1.00 74.41 C ATOM 1073 O VAL A 71 5.070 -4.050 11.849 1.00 42.11 O ATOM 1074 CB VAL A 71 3.682 -3.187 14.223 1.00 62.50 C ATOM 1075 CG1 VAL A 71 2.981 -4.492 13.861 1.00 21.23 C ATOM 1076 CG2 VAL A 71 5.014 -3.461 14.909 1.00 33.43 C ATOM 0 H VAL A 71 2.197 -2.913 11.904 1.00 60.32 H new ATOM 0 HA VAL A 71 4.227 -1.317 13.360 1.00 31.21 H new ATOM 0 HB VAL A 71 3.040 -2.652 14.923 1.00 62.50 H new ATOM 0 HG11 VAL A 71 2.865 -5.103 14.756 1.00 21.23 H new ATOM 0 HG12 VAL A 71 1.999 -4.273 13.441 1.00 21.23 H new ATOM 0 HG13 VAL A 71 3.577 -5.034 13.127 1.00 21.23 H new ATOM 0 HG21 VAL A 71 4.852 -4.101 15.776 1.00 33.43 H new ATOM 0 HG22 VAL A 71 5.687 -3.959 14.211 1.00 33.43 H new ATOM 0 HG23 VAL A 71 5.458 -2.519 15.231 1.00 33.43 H new ATOM 1086 N LEU A 72 5.620 -1.938 11.348 1.00 54.21 N ATOM 1087 CA LEU A 72 6.529 -2.326 10.285 1.00 42.03 C ATOM 1088 C LEU A 72 7.931 -2.575 10.821 1.00 43.34 C ATOM 1089 O LEU A 72 8.787 -1.690 10.797 1.00 55.30 O ATOM 1090 CB LEU A 72 6.565 -1.271 9.169 1.00 5.04 C ATOM 1091 CG LEU A 72 5.291 -1.144 8.319 1.00 1.12 C ATOM 1092 CD1 LEU A 72 4.802 -2.515 7.878 1.00 21.45 C ATOM 1093 CD2 LEU A 72 4.200 -0.391 9.067 1.00 31.55 C ATOM 0 H LEU A 72 5.576 -0.934 11.523 1.00 54.21 H new ATOM 0 HA LEU A 72 6.153 -3.258 9.863 1.00 42.03 H new ATOM 0 HB2 LEU A 72 6.775 -0.301 9.620 1.00 5.04 H new ATOM 0 HB3 LEU A 72 7.399 -1.501 8.506 1.00 5.04 H new ATOM 0 HG LEU A 72 5.538 -0.566 7.428 1.00 1.12 H new ATOM 0 HD11 LEU A 72 3.899 -2.403 7.277 1.00 21.45 H new ATOM 0 HD12 LEU A 72 5.575 -3.003 7.284 1.00 21.45 H new ATOM 0 HD13 LEU A 72 4.581 -3.122 8.756 1.00 21.45 H new ATOM 0 HD21 LEU A 72 3.312 -0.318 8.439 1.00 31.55 H new ATOM 0 HD22 LEU A 72 3.953 -0.925 9.984 1.00 31.55 H new ATOM 0 HD23 LEU A 72 4.553 0.610 9.314 1.00 31.55 H new ATOM 1105 N SER A 73 8.142 -3.773 11.344 1.00 20.40 N ATOM 1106 CA SER A 73 9.465 -4.201 11.773 1.00 4.11 C ATOM 1107 C SER A 73 10.230 -4.762 10.576 1.00 21.14 C ATOM 1108 O SER A 73 11.454 -4.647 10.486 1.00 52.41 O ATOM 1109 CB SER A 73 9.345 -5.255 12.882 1.00 40.21 C ATOM 1110 OG SER A 73 10.614 -5.728 13.296 1.00 23.25 O ATOM 0 H SER A 73 7.410 -4.470 11.482 1.00 20.40 H new ATOM 0 HA SER A 73 10.012 -3.347 12.173 1.00 4.11 H new ATOM 0 HB2 SER A 73 8.820 -4.826 13.736 1.00 40.21 H new ATOM 0 HB3 SER A 73 8.744 -6.091 12.525 1.00 40.21 H new ATOM 0 HG SER A 73 10.499 -6.396 14.004 1.00 23.25 H new ATOM 1116 N ASP A 74 9.483 -5.338 9.642 1.00 35.14 N ATOM 1117 CA ASP A 74 10.054 -5.932 8.440 1.00 21.22 C ATOM 1118 C ASP A 74 9.830 -5.006 7.252 1.00 13.51 C ATOM 1119 O ASP A 74 9.780 -5.445 6.107 1.00 61.35 O ATOM 1120 CB ASP A 74 9.410 -7.296 8.172 1.00 55.11 C ATOM 1121 CG ASP A 74 9.669 -8.296 9.279 1.00 52.03 C ATOM 1122 OD1 ASP A 74 9.035 -8.185 10.351 1.00 31.11 O ATOM 1123 OD2 ASP A 74 10.499 -9.202 9.086 1.00 20.42 O ATOM 0 H ASP A 74 8.467 -5.406 9.696 1.00 35.14 H new ATOM 0 HA ASP A 74 11.125 -6.072 8.585 1.00 21.22 H new ATOM 0 HB2 ASP A 74 8.335 -7.167 8.050 1.00 55.11 H new ATOM 0 HB3 ASP A 74 9.792 -7.694 7.232 1.00 55.11 H new ATOM 1128 N ASP A 75 9.727 -3.714 7.541 1.00 1.20 N ATOM 1129 CA ASP A 75 9.458 -2.697 6.524 1.00 20.54 C ATOM 1130 C ASP A 75 10.564 -2.649 5.477 1.00 52.40 C ATOM 1131 O ASP A 75 10.332 -2.275 4.325 1.00 54.22 O ATOM 1132 CB ASP A 75 9.304 -1.320 7.182 1.00 21.44 C ATOM 1133 CG ASP A 75 10.585 -0.800 7.808 1.00 31.11 C ATOM 1134 OD1 ASP A 75 11.401 -1.613 8.294 1.00 14.23 O ATOM 1135 OD2 ASP A 75 10.768 0.434 7.843 1.00 71.44 O ATOM 0 H ASP A 75 9.827 -3.339 8.484 1.00 1.20 H new ATOM 0 HA ASP A 75 8.528 -2.966 6.022 1.00 20.54 H new ATOM 0 HB2 ASP A 75 8.959 -0.606 6.434 1.00 21.44 H new ATOM 0 HB3 ASP A 75 8.532 -1.377 7.949 1.00 21.44 H new ATOM 1140 N SER A 76 11.760 -3.037 5.882 1.00 14.42 N ATOM 1141 CA SER A 76 12.915 -3.029 5.004 1.00 40.12 C ATOM 1142 C SER A 76 13.178 -4.420 4.424 1.00 1.42 C ATOM 1143 O SER A 76 14.248 -4.682 3.871 1.00 13.20 O ATOM 1144 CB SER A 76 14.123 -2.515 5.785 1.00 4.51 C ATOM 1145 OG SER A 76 14.024 -2.874 7.157 1.00 54.35 O ATOM 0 H SER A 76 11.957 -3.366 6.827 1.00 14.42 H new ATOM 0 HA SER A 76 12.724 -2.367 4.160 1.00 40.12 H new ATOM 0 HB2 SER A 76 15.039 -2.927 5.361 1.00 4.51 H new ATOM 0 HB3 SER A 76 14.188 -1.431 5.691 1.00 4.51 H new ATOM 0 HG SER A 76 14.807 -2.538 7.641 1.00 54.35 H new ATOM 1151 N ARG A 77 12.193 -5.306 4.542 1.00 33.45 N ATOM 1152 CA ARG A 77 12.308 -6.661 4.016 1.00 1.35 C ATOM 1153 C ARG A 77 11.086 -6.994 3.157 1.00 60.32 C ATOM 1154 O ARG A 77 10.064 -6.319 3.248 1.00 13.22 O ATOM 1155 CB ARG A 77 12.452 -7.677 5.159 1.00 3.11 C ATOM 1156 CG ARG A 77 13.598 -7.363 6.108 1.00 52.42 C ATOM 1157 CD ARG A 77 14.132 -8.609 6.797 1.00 62.41 C ATOM 1158 NE ARG A 77 13.140 -9.276 7.639 1.00 42.43 N ATOM 1159 CZ ARG A 77 13.305 -10.496 8.149 1.00 44.34 C ATOM 1160 NH1 ARG A 77 14.368 -11.222 7.822 1.00 35.30 N ATOM 1161 NH2 ARG A 77 12.389 -11.002 8.959 1.00 14.45 N ATOM 0 H ARG A 77 11.303 -5.108 4.999 1.00 33.45 H new ATOM 0 HA ARG A 77 13.202 -6.718 3.396 1.00 1.35 H new ATOM 0 HB2 ARG A 77 11.521 -7.710 5.725 1.00 3.11 H new ATOM 0 HB3 ARG A 77 12.603 -8.670 4.735 1.00 3.11 H new ATOM 0 HG2 ARG A 77 14.405 -6.882 5.554 1.00 52.42 H new ATOM 0 HG3 ARG A 77 13.259 -6.651 6.860 1.00 52.42 H new ATOM 0 HD2 ARG A 77 14.486 -9.310 6.041 1.00 62.41 H new ATOM 0 HD3 ARG A 77 14.993 -8.337 7.408 1.00 62.41 H new ATOM 0 HE ARG A 77 12.274 -8.780 7.848 1.00 42.43 H new ATOM 0 HH11 ARG A 77 15.063 -10.846 7.177 1.00 35.30 H new ATOM 0 HH12 ARG A 77 14.489 -12.155 8.216 1.00 35.30 H new ATOM 0 HH21 ARG A 77 11.558 -10.458 9.192 1.00 14.45 H new ATOM 0 HH22 ARG A 77 12.514 -11.936 9.350 1.00 14.45 H new ATOM 1175 N PRO A 78 11.184 -8.019 2.288 1.00 23.15 N ATOM 1176 CA PRO A 78 10.066 -8.438 1.432 1.00 0.11 C ATOM 1177 C PRO A 78 8.810 -8.771 2.235 1.00 52.10 C ATOM 1178 O PRO A 78 8.845 -9.601 3.146 1.00 24.44 O ATOM 1179 CB PRO A 78 10.595 -9.695 0.733 1.00 4.32 C ATOM 1180 CG PRO A 78 12.078 -9.568 0.780 1.00 54.22 C ATOM 1181 CD PRO A 78 12.390 -8.835 2.056 1.00 70.12 C ATOM 0 HA PRO A 78 9.767 -7.646 0.746 1.00 0.11 H new ATOM 0 HB2 PRO A 78 10.260 -10.599 1.241 1.00 4.32 H new ATOM 0 HB3 PRO A 78 10.237 -9.755 -0.295 1.00 4.32 H new ATOM 0 HG2 PRO A 78 12.554 -10.548 0.766 1.00 54.22 H new ATOM 0 HG3 PRO A 78 12.451 -9.021 -0.086 1.00 54.22 H new ATOM 0 HD2 PRO A 78 12.573 -9.524 2.880 1.00 70.12 H new ATOM 0 HD3 PRO A 78 13.281 -8.215 1.955 1.00 70.12 H new ATOM 1189 N LEU A 79 7.703 -8.133 1.878 1.00 1.20 N ATOM 1190 CA LEU A 79 6.438 -8.322 2.583 1.00 24.51 C ATOM 1191 C LEU A 79 5.980 -9.779 2.515 1.00 21.34 C ATOM 1192 O LEU A 79 5.403 -10.312 3.466 1.00 62.43 O ATOM 1193 CB LEU A 79 5.365 -7.410 1.978 1.00 23.44 C ATOM 1194 CG LEU A 79 4.035 -7.372 2.731 1.00 51.02 C ATOM 1195 CD1 LEU A 79 4.224 -6.760 4.111 1.00 64.15 C ATOM 1196 CD2 LEU A 79 2.995 -6.596 1.935 1.00 24.11 C ATOM 0 H LEU A 79 7.654 -7.476 1.100 1.00 1.20 H new ATOM 0 HA LEU A 79 6.590 -8.062 3.631 1.00 24.51 H new ATOM 0 HB2 LEU A 79 5.762 -6.396 1.925 1.00 23.44 H new ATOM 0 HB3 LEU A 79 5.174 -7.732 0.954 1.00 23.44 H new ATOM 0 HG LEU A 79 3.677 -8.394 2.856 1.00 51.02 H new ATOM 0 HD11 LEU A 79 3.268 -6.740 4.634 1.00 64.15 H new ATOM 0 HD12 LEU A 79 4.937 -7.358 4.680 1.00 64.15 H new ATOM 0 HD13 LEU A 79 4.603 -5.743 4.009 1.00 64.15 H new ATOM 0 HD21 LEU A 79 2.054 -6.579 2.485 1.00 24.11 H new ATOM 0 HD22 LEU A 79 3.343 -5.575 1.779 1.00 24.11 H new ATOM 0 HD23 LEU A 79 2.842 -7.078 0.969 1.00 24.11 H new ATOM 1208 N GLY A 80 6.268 -10.423 1.390 1.00 64.40 N ATOM 1209 CA GLY A 80 5.851 -11.795 1.181 1.00 34.52 C ATOM 1210 C GLY A 80 6.614 -12.783 2.039 1.00 1.40 C ATOM 1211 O GLY A 80 6.201 -13.933 2.182 1.00 32.41 O ATOM 0 H GLY A 80 6.787 -10.014 0.613 1.00 64.40 H new ATOM 0 HA2 GLY A 80 4.786 -11.882 1.396 1.00 34.52 H new ATOM 0 HA3 GLY A 80 5.986 -12.054 0.131 1.00 34.52 H new ATOM 1215 N PHE A 81 7.728 -12.344 2.614 1.00 14.45 N ATOM 1216 CA PHE A 81 8.512 -13.200 3.496 1.00 10.10 C ATOM 1217 C PHE A 81 7.750 -13.429 4.795 1.00 32.23 C ATOM 1218 O PHE A 81 7.644 -14.555 5.281 1.00 5.42 O ATOM 1219 CB PHE A 81 9.880 -12.572 3.777 1.00 3.51 C ATOM 1220 CG PHE A 81 10.782 -13.429 4.625 1.00 11.21 C ATOM 1221 CD1 PHE A 81 11.501 -14.472 4.061 1.00 24.03 C ATOM 1222 CD2 PHE A 81 10.912 -13.190 5.987 1.00 33.15 C ATOM 1223 CE1 PHE A 81 12.332 -15.259 4.836 1.00 51.45 C ATOM 1224 CE2 PHE A 81 11.742 -13.975 6.766 1.00 30.51 C ATOM 1225 CZ PHE A 81 12.453 -15.012 6.190 1.00 74.22 C ATOM 0 H PHE A 81 8.107 -11.406 2.486 1.00 14.45 H new ATOM 0 HA PHE A 81 8.676 -14.160 3.007 1.00 10.10 H new ATOM 0 HB2 PHE A 81 10.376 -12.367 2.829 1.00 3.51 H new ATOM 0 HB3 PHE A 81 9.733 -11.613 4.274 1.00 3.51 H new ATOM 0 HD1 PHE A 81 11.411 -14.672 3.003 1.00 24.03 H new ATOM 0 HD2 PHE A 81 10.359 -12.382 6.443 1.00 33.15 H new ATOM 0 HE1 PHE A 81 12.887 -16.067 4.383 1.00 51.45 H new ATOM 0 HE2 PHE A 81 11.835 -13.778 7.824 1.00 30.51 H new ATOM 0 HZ PHE A 81 13.101 -15.627 6.797 1.00 74.22 H new ATOM 1235 N PHE A 82 7.196 -12.352 5.338 1.00 15.44 N ATOM 1236 CA PHE A 82 6.395 -12.436 6.549 1.00 35.34 C ATOM 1237 C PHE A 82 5.020 -13.017 6.234 1.00 42.13 C ATOM 1238 O PHE A 82 4.496 -13.834 6.995 1.00 54.14 O ATOM 1239 CB PHE A 82 6.253 -11.050 7.193 1.00 0.24 C ATOM 1240 CG PHE A 82 5.359 -11.034 8.403 1.00 24.33 C ATOM 1241 CD1 PHE A 82 5.787 -11.567 9.608 1.00 64.34 C ATOM 1242 CD2 PHE A 82 4.086 -10.487 8.331 1.00 64.11 C ATOM 1243 CE1 PHE A 82 4.962 -11.558 10.717 1.00 11.10 C ATOM 1244 CE2 PHE A 82 3.259 -10.475 9.437 1.00 64.03 C ATOM 1245 CZ PHE A 82 3.698 -11.010 10.631 1.00 2.34 C ATOM 0 H PHE A 82 7.288 -11.410 4.957 1.00 15.44 H new ATOM 0 HA PHE A 82 6.899 -13.096 7.254 1.00 35.34 H new ATOM 0 HB2 PHE A 82 7.241 -10.688 7.478 1.00 0.24 H new ATOM 0 HB3 PHE A 82 5.860 -10.354 6.452 1.00 0.24 H new ATOM 0 HD1 PHE A 82 6.776 -11.994 9.682 1.00 64.34 H new ATOM 0 HD2 PHE A 82 3.738 -10.066 7.399 1.00 64.11 H new ATOM 0 HE1 PHE A 82 5.306 -11.979 11.650 1.00 11.10 H new ATOM 0 HE2 PHE A 82 2.270 -10.047 9.368 1.00 64.03 H new ATOM 0 HZ PHE A 82 3.053 -11.000 11.497 1.00 2.34 H new ATOM 1255 N SER A 83 4.458 -12.594 5.102 1.00 41.14 N ATOM 1256 CA SER A 83 3.129 -13.027 4.677 1.00 34.04 C ATOM 1257 C SER A 83 2.069 -12.593 5.691 1.00 12.21 C ATOM 1258 O SER A 83 1.762 -13.319 6.636 1.00 1.24 O ATOM 1259 CB SER A 83 3.084 -14.545 4.473 1.00 64.31 C ATOM 1260 OG SER A 83 4.059 -14.970 3.531 1.00 13.43 O ATOM 0 H SER A 83 4.909 -11.945 4.457 1.00 41.14 H new ATOM 0 HA SER A 83 2.911 -12.549 3.722 1.00 34.04 H new ATOM 0 HB2 SER A 83 3.253 -15.047 5.426 1.00 64.31 H new ATOM 0 HB3 SER A 83 2.092 -14.838 4.130 1.00 64.31 H new ATOM 0 HG SER A 83 4.565 -14.194 3.211 1.00 13.43 H new ATOM 1266 N PRO A 84 1.517 -11.385 5.521 1.00 52.32 N ATOM 1267 CA PRO A 84 0.516 -10.836 6.425 1.00 63.21 C ATOM 1268 C PRO A 84 -0.885 -11.373 6.135 1.00 50.11 C ATOM 1269 O PRO A 84 -1.052 -12.313 5.358 1.00 11.43 O ATOM 1270 CB PRO A 84 0.574 -9.323 6.157 1.00 74.45 C ATOM 1271 CG PRO A 84 1.618 -9.121 5.100 1.00 32.32 C ATOM 1272 CD PRO A 84 1.822 -10.453 4.438 1.00 50.31 C ATOM 0 HA PRO A 84 0.718 -11.105 7.462 1.00 63.21 H new ATOM 0 HB2 PRO A 84 -0.394 -8.950 5.823 1.00 74.45 H new ATOM 0 HB3 PRO A 84 0.830 -8.777 7.065 1.00 74.45 H new ATOM 0 HG2 PRO A 84 1.296 -8.373 4.375 1.00 32.32 H new ATOM 0 HG3 PRO A 84 2.548 -8.760 5.538 1.00 32.32 H new ATOM 0 HD2 PRO A 84 1.158 -10.589 3.584 1.00 50.31 H new ATOM 0 HD3 PRO A 84 2.841 -10.574 4.072 1.00 50.31 H new ATOM 1280 N PHE A 85 -1.891 -10.761 6.757 1.00 61.10 N ATOM 1281 CA PHE A 85 -3.279 -11.176 6.571 1.00 61.44 C ATOM 1282 C PHE A 85 -3.727 -10.945 5.127 1.00 52.44 C ATOM 1283 O PHE A 85 -4.541 -11.705 4.600 1.00 12.32 O ATOM 1284 CB PHE A 85 -4.189 -10.419 7.545 1.00 3.24 C ATOM 1285 CG PHE A 85 -5.635 -10.825 7.481 1.00 74.31 C ATOM 1286 CD1 PHE A 85 -6.065 -11.996 8.083 1.00 72.42 C ATOM 1287 CD2 PHE A 85 -6.564 -10.035 6.823 1.00 23.41 C ATOM 1288 CE1 PHE A 85 -7.392 -12.374 8.028 1.00 64.24 C ATOM 1289 CE2 PHE A 85 -7.894 -10.406 6.766 1.00 20.25 C ATOM 1290 CZ PHE A 85 -8.308 -11.577 7.370 1.00 40.43 C ATOM 0 H PHE A 85 -1.770 -9.975 7.395 1.00 61.10 H new ATOM 0 HA PHE A 85 -3.352 -12.243 6.779 1.00 61.44 H new ATOM 0 HB2 PHE A 85 -3.824 -10.574 8.560 1.00 3.24 H new ATOM 0 HB3 PHE A 85 -4.114 -9.351 7.339 1.00 3.24 H new ATOM 0 HD1 PHE A 85 -5.354 -12.621 8.602 1.00 72.42 H new ATOM 0 HD2 PHE A 85 -6.245 -9.118 6.349 1.00 23.41 H new ATOM 0 HE1 PHE A 85 -7.713 -13.291 8.499 1.00 64.24 H new ATOM 0 HE2 PHE A 85 -8.608 -9.781 6.250 1.00 20.25 H new ATOM 0 HZ PHE A 85 -9.347 -11.869 7.328 1.00 40.43 H new ATOM 1300 N ASP A 86 -3.167 -9.899 4.501 1.00 64.34 N ATOM 1301 CA ASP A 86 -3.456 -9.548 3.103 1.00 1.35 C ATOM 1302 C ASP A 86 -4.859 -8.953 2.953 1.00 33.33 C ATOM 1303 O ASP A 86 -5.837 -9.491 3.469 1.00 12.32 O ATOM 1304 CB ASP A 86 -3.273 -10.763 2.180 1.00 32.02 C ATOM 1305 CG ASP A 86 -3.679 -10.484 0.745 1.00 61.03 C ATOM 1306 OD1 ASP A 86 -2.833 -9.995 -0.040 1.00 33.44 O ATOM 1307 OD2 ASP A 86 -4.846 -10.761 0.391 1.00 72.54 O ATOM 0 H ASP A 86 -2.500 -9.272 4.951 1.00 64.34 H new ATOM 0 HA ASP A 86 -2.740 -8.784 2.802 1.00 1.35 H new ATOM 0 HB2 ASP A 86 -2.229 -11.075 2.202 1.00 32.02 H new ATOM 0 HB3 ASP A 86 -3.863 -11.596 2.563 1.00 32.02 H new ATOM 1312 N GLY A 87 -4.945 -7.839 2.236 1.00 0.44 N ATOM 1313 CA GLY A 87 -6.213 -7.151 2.084 1.00 43.25 C ATOM 1314 C GLY A 87 -6.382 -6.041 3.100 1.00 73.23 C ATOM 1315 O GLY A 87 -7.454 -5.878 3.684 1.00 50.43 O ATOM 0 H GLY A 87 -4.159 -7.400 1.757 1.00 0.44 H new ATOM 0 HA2 GLY A 87 -6.282 -6.736 1.079 1.00 43.25 H new ATOM 0 HA3 GLY A 87 -7.029 -7.866 2.190 1.00 43.25 H new ATOM 1319 N PHE A 88 -5.328 -5.258 3.298 1.00 55.33 N ATOM 1320 CA PHE A 88 -5.335 -4.213 4.313 1.00 14.54 C ATOM 1321 C PHE A 88 -5.786 -2.875 3.744 1.00 73.41 C ATOM 1322 O PHE A 88 -5.850 -2.685 2.524 1.00 50.44 O ATOM 1323 CB PHE A 88 -3.947 -4.048 4.931 1.00 35.01 C ATOM 1324 CG PHE A 88 -3.468 -5.248 5.689 1.00 31.53 C ATOM 1325 CD1 PHE A 88 -4.067 -5.613 6.882 1.00 31.20 C ATOM 1326 CD2 PHE A 88 -2.411 -6.001 5.216 1.00 2.35 C ATOM 1327 CE1 PHE A 88 -3.618 -6.710 7.589 1.00 51.15 C ATOM 1328 CE2 PHE A 88 -1.957 -7.099 5.915 1.00 43.11 C ATOM 1329 CZ PHE A 88 -2.560 -7.453 7.106 1.00 62.00 C ATOM 0 H PHE A 88 -4.459 -5.327 2.769 1.00 55.33 H new ATOM 0 HA PHE A 88 -6.045 -4.523 5.080 1.00 14.54 H new ATOM 0 HB2 PHE A 88 -3.233 -3.823 4.139 1.00 35.01 H new ATOM 0 HB3 PHE A 88 -3.960 -3.189 5.602 1.00 35.01 H new ATOM 0 HD1 PHE A 88 -4.894 -5.033 7.264 1.00 31.20 H new ATOM 0 HD2 PHE A 88 -1.934 -5.726 4.287 1.00 2.35 H new ATOM 0 HE1 PHE A 88 -4.094 -6.986 8.518 1.00 51.15 H new ATOM 0 HE2 PHE A 88 -1.132 -7.681 5.532 1.00 43.11 H new ATOM 0 HZ PHE A 88 -2.204 -8.310 7.659 1.00 62.00 H new ATOM 1339 N ARG A 89 -6.091 -1.952 4.644 1.00 32.53 N ATOM 1340 CA ARG A 89 -6.469 -0.597 4.273 1.00 63.04 C ATOM 1341 C ARG A 89 -5.248 0.313 4.304 1.00 1.35 C ATOM 1342 O ARG A 89 -4.657 0.519 5.364 1.00 33.43 O ATOM 1343 CB ARG A 89 -7.517 -0.047 5.246 1.00 34.54 C ATOM 1344 CG ARG A 89 -8.795 -0.863 5.338 1.00 21.54 C ATOM 1345 CD ARG A 89 -9.635 -0.746 4.078 1.00 1.44 C ATOM 1346 NE ARG A 89 -10.965 -1.319 4.265 1.00 20.44 N ATOM 1347 CZ ARG A 89 -11.960 -1.231 3.386 1.00 52.30 C ATOM 1348 NH1 ARG A 89 -11.791 -0.613 2.226 1.00 33.14 N ATOM 1349 NH2 ARG A 89 -13.128 -1.778 3.676 1.00 12.45 N ATOM 0 H ARG A 89 -6.083 -2.121 5.650 1.00 32.53 H new ATOM 0 HA ARG A 89 -6.886 -0.625 3.266 1.00 63.04 H new ATOM 0 HB2 ARG A 89 -7.072 0.017 6.239 1.00 34.54 H new ATOM 0 HB3 ARG A 89 -7.773 0.969 4.945 1.00 34.54 H new ATOM 0 HG2 ARG A 89 -8.545 -1.910 5.512 1.00 21.54 H new ATOM 0 HG3 ARG A 89 -9.379 -0.528 6.195 1.00 21.54 H new ATOM 0 HD2 ARG A 89 -9.726 0.303 3.797 1.00 1.44 H new ATOM 0 HD3 ARG A 89 -9.131 -1.254 3.256 1.00 1.44 H new ATOM 0 HE ARG A 89 -11.144 -1.824 5.133 1.00 20.44 H new ATOM 0 HH11 ARG A 89 -10.889 -0.197 1.997 1.00 33.14 H new ATOM 0 HH12 ARG A 89 -12.563 -0.554 1.562 1.00 33.14 H new ATOM 0 HH21 ARG A 89 -13.258 -2.261 4.565 1.00 12.45 H new ATOM 0 HH22 ARG A 89 -13.899 -1.717 3.011 1.00 12.45 H new ATOM 1363 N LEU A 90 -4.863 0.846 3.153 1.00 34.54 N ATOM 1364 CA LEU A 90 -3.774 1.814 3.096 1.00 3.02 C ATOM 1365 C LEU A 90 -4.333 3.218 3.268 1.00 34.43 C ATOM 1366 O LEU A 90 -4.455 3.971 2.302 1.00 22.34 O ATOM 1367 CB LEU A 90 -3.015 1.722 1.766 1.00 21.14 C ATOM 1368 CG LEU A 90 -2.338 0.380 1.481 1.00 72.32 C ATOM 1369 CD1 LEU A 90 -1.650 0.419 0.124 1.00 62.32 C ATOM 1370 CD2 LEU A 90 -1.338 0.039 2.576 1.00 44.33 C ATOM 0 H LEU A 90 -5.285 0.627 2.250 1.00 34.54 H new ATOM 0 HA LEU A 90 -3.075 1.589 3.902 1.00 3.02 H new ATOM 0 HB2 LEU A 90 -3.712 1.936 0.955 1.00 21.14 H new ATOM 0 HB3 LEU A 90 -2.255 2.503 1.748 1.00 21.14 H new ATOM 0 HG LEU A 90 -3.102 -0.397 1.465 1.00 72.32 H new ATOM 0 HD11 LEU A 90 -1.171 -0.541 -0.069 1.00 62.32 H new ATOM 0 HD12 LEU A 90 -2.388 0.619 -0.653 1.00 62.32 H new ATOM 0 HD13 LEU A 90 -0.897 1.207 0.120 1.00 62.32 H new ATOM 0 HD21 LEU A 90 -0.868 -0.919 2.354 1.00 44.33 H new ATOM 0 HD22 LEU A 90 -0.574 0.815 2.626 1.00 44.33 H new ATOM 0 HD23 LEU A 90 -1.855 -0.024 3.534 1.00 44.33 H new ATOM 1382 N HIS A 91 -4.701 3.554 4.492 1.00 43.45 N ATOM 1383 CA HIS A 91 -5.333 4.834 4.769 1.00 12.43 C ATOM 1384 C HIS A 91 -4.287 5.937 4.894 1.00 12.24 C ATOM 1385 O HIS A 91 -3.605 6.054 5.911 1.00 55.51 O ATOM 1386 CB HIS A 91 -6.181 4.747 6.042 1.00 1.44 C ATOM 1387 CG HIS A 91 -6.949 5.996 6.362 1.00 11.12 C ATOM 1388 ND1 HIS A 91 -7.149 6.445 7.649 1.00 53.24 N ATOM 1389 CD2 HIS A 91 -7.592 6.877 5.556 1.00 22.33 C ATOM 1390 CE1 HIS A 91 -7.878 7.545 7.622 1.00 22.25 C ATOM 1391 NE2 HIS A 91 -8.159 7.831 6.364 1.00 42.25 N ATOM 0 H HIS A 91 -4.573 2.959 5.311 1.00 43.45 H new ATOM 0 HA HIS A 91 -5.988 5.081 3.934 1.00 12.43 H new ATOM 0 HB2 HIS A 91 -6.883 3.919 5.940 1.00 1.44 H new ATOM 0 HB3 HIS A 91 -5.529 4.511 6.883 1.00 1.44 H new ATOM 0 HD1 HIS A 91 -6.790 5.997 8.492 1.00 53.24 H new ATOM 0 HD2 HIS A 91 -7.648 6.836 4.478 1.00 22.33 H new ATOM 0 HE1 HIS A 91 -8.192 8.115 8.484 1.00 22.25 H new ATOM 1400 N ILE A 92 -4.168 6.732 3.845 1.00 35.20 N ATOM 1401 CA ILE A 92 -3.236 7.846 3.826 1.00 23.42 C ATOM 1402 C ILE A 92 -3.903 9.089 4.398 1.00 2.34 C ATOM 1403 O ILE A 92 -4.982 9.483 3.951 1.00 23.42 O ATOM 1404 CB ILE A 92 -2.740 8.146 2.392 1.00 33.01 C ATOM 1405 CG1 ILE A 92 -2.108 6.891 1.780 1.00 42.31 C ATOM 1406 CG2 ILE A 92 -1.744 9.300 2.400 1.00 14.11 C ATOM 1407 CD1 ILE A 92 -1.688 7.065 0.337 1.00 11.21 C ATOM 0 H ILE A 92 -4.711 6.625 2.988 1.00 35.20 H new ATOM 0 HA ILE A 92 -2.376 7.570 4.436 1.00 23.42 H new ATOM 0 HB ILE A 92 -3.594 8.439 1.781 1.00 33.01 H new ATOM 0 HG12 ILE A 92 -1.237 6.608 2.371 1.00 42.31 H new ATOM 0 HG13 ILE A 92 -2.819 6.068 1.846 1.00 42.31 H new ATOM 0 HG21 ILE A 92 -1.406 9.496 1.382 1.00 14.11 H new ATOM 0 HG22 ILE A 92 -2.224 10.192 2.801 1.00 14.11 H new ATOM 0 HG23 ILE A 92 -0.888 9.038 3.022 1.00 14.11 H new ATOM 0 HD11 ILE A 92 -1.249 6.137 -0.029 1.00 11.21 H new ATOM 0 HD12 ILE A 92 -2.559 7.318 -0.268 1.00 11.21 H new ATOM 0 HD13 ILE A 92 -0.953 7.866 0.266 1.00 11.21 H new ATOM 1419 N ILE A 93 -3.272 9.686 5.398 1.00 51.44 N ATOM 1420 CA ILE A 93 -3.792 10.897 6.013 1.00 41.43 C ATOM 1421 C ILE A 93 -3.488 12.108 5.139 1.00 13.55 C ATOM 1422 O ILE A 93 -2.330 12.494 4.978 1.00 42.14 O ATOM 1423 CB ILE A 93 -3.202 11.115 7.425 1.00 53.11 C ATOM 1424 CG1 ILE A 93 -3.518 9.917 8.328 1.00 64.54 C ATOM 1425 CG2 ILE A 93 -3.737 12.403 8.041 1.00 0.54 C ATOM 1426 CD1 ILE A 93 -5.000 9.655 8.511 1.00 23.32 C ATOM 0 H ILE A 93 -2.397 9.350 5.801 1.00 51.44 H new ATOM 0 HA ILE A 93 -4.871 10.779 6.108 1.00 41.43 H new ATOM 0 HB ILE A 93 -2.120 11.205 7.333 1.00 53.11 H new ATOM 0 HG12 ILE A 93 -3.051 9.026 7.908 1.00 64.54 H new ATOM 0 HG13 ILE A 93 -3.066 10.083 9.306 1.00 64.54 H new ATOM 0 HG21 ILE A 93 -3.309 12.536 9.034 1.00 0.54 H new ATOM 0 HG22 ILE A 93 -3.463 13.249 7.411 1.00 0.54 H new ATOM 0 HG23 ILE A 93 -4.823 12.346 8.119 1.00 0.54 H new ATOM 0 HD11 ILE A 93 -5.139 8.792 9.162 1.00 23.32 H new ATOM 0 HD12 ILE A 93 -5.471 10.529 8.961 1.00 23.32 H new ATOM 0 HD13 ILE A 93 -5.457 9.455 7.542 1.00 23.32 H new ATOM 1438 N ASP A 94 -4.527 12.687 4.556 1.00 3.21 N ATOM 1439 CA ASP A 94 -4.366 13.876 3.733 1.00 52.14 C ATOM 1440 C ASP A 94 -4.350 15.115 4.609 1.00 24.15 C ATOM 1441 O ASP A 94 -5.401 15.659 4.958 1.00 24.11 O ATOM 1442 CB ASP A 94 -5.485 13.986 2.690 1.00 41.23 C ATOM 1443 CG ASP A 94 -5.352 12.981 1.563 1.00 41.50 C ATOM 1444 OD1 ASP A 94 -4.268 12.919 0.949 1.00 53.32 O ATOM 1445 OD2 ASP A 94 -6.335 12.254 1.284 1.00 4.11 O ATOM 0 H ASP A 94 -5.488 12.354 4.637 1.00 3.21 H new ATOM 0 HA ASP A 94 -3.417 13.795 3.203 1.00 52.14 H new ATOM 0 HB2 ASP A 94 -6.447 13.845 3.183 1.00 41.23 H new ATOM 0 HB3 ASP A 94 -5.486 14.993 2.272 1.00 41.23 H new ATOM 1450 N LEU A 95 -3.161 15.539 4.994 1.00 11.04 N ATOM 1451 CA LEU A 95 -3.011 16.695 5.864 1.00 54.55 C ATOM 1452 C LEU A 95 -2.114 17.743 5.216 1.00 32.13 C ATOM 1453 O LEU A 95 -1.778 18.753 5.834 1.00 34.50 O ATOM 1454 CB LEU A 95 -2.434 16.286 7.232 1.00 44.34 C ATOM 1455 CG LEU A 95 -0.923 15.990 7.273 1.00 15.31 C ATOM 1456 CD1 LEU A 95 -0.451 15.872 8.713 1.00 64.03 C ATOM 1457 CD2 LEU A 95 -0.580 14.714 6.516 1.00 54.23 C ATOM 0 H LEU A 95 -2.282 15.101 4.718 1.00 11.04 H new ATOM 0 HA LEU A 95 -4.001 17.124 6.019 1.00 54.55 H new ATOM 0 HB2 LEU A 95 -2.646 17.083 7.945 1.00 44.34 H new ATOM 0 HB3 LEU A 95 -2.966 15.399 7.577 1.00 44.34 H new ATOM 0 HG LEU A 95 -0.412 16.821 6.787 1.00 15.31 H new ATOM 0 HD11 LEU A 95 0.619 15.663 8.729 1.00 64.03 H new ATOM 0 HD12 LEU A 95 -0.646 16.807 9.238 1.00 64.03 H new ATOM 0 HD13 LEU A 95 -0.987 15.061 9.206 1.00 64.03 H new ATOM 0 HD21 LEU A 95 0.495 14.538 6.567 1.00 54.23 H new ATOM 0 HD22 LEU A 95 -1.107 13.872 6.965 1.00 54.23 H new ATOM 0 HD23 LEU A 95 -0.882 14.817 5.474 1.00 54.23 H new ATOM 1469 N ASP A 96 -1.735 17.503 3.965 1.00 31.24 N ATOM 1470 CA ASP A 96 -0.821 18.398 3.269 1.00 13.54 C ATOM 1471 C ASP A 96 -1.579 19.589 2.687 1.00 53.41 C ATOM 1472 O ASP A 96 -2.467 19.436 1.844 1.00 23.15 O ATOM 1473 CB ASP A 96 -0.039 17.646 2.176 1.00 5.23 C ATOM 1474 CG ASP A 96 -0.886 17.242 0.983 1.00 25.44 C ATOM 1475 OD1 ASP A 96 -1.754 16.356 1.129 1.00 72.50 O ATOM 1476 OD2 ASP A 96 -0.672 17.808 -0.114 1.00 10.05 O ATOM 0 H ASP A 96 -2.045 16.701 3.416 1.00 31.24 H new ATOM 0 HA ASP A 96 -0.097 18.778 3.990 1.00 13.54 H new ATOM 0 HB2 ASP A 96 0.781 18.276 1.831 1.00 5.23 H new ATOM 0 HB3 ASP A 96 0.407 16.752 2.612 1.00 5.23 H new ATOM 1481 N PRO A 97 -1.262 20.797 3.164 1.00 1.33 N ATOM 1482 CA PRO A 97 -1.897 22.019 2.712 1.00 72.55 C ATOM 1483 C PRO A 97 -1.132 22.672 1.564 1.00 2.53 C ATOM 1484 O PRO A 97 -0.346 23.611 1.822 1.00 36.04 O ATOM 1485 CB PRO A 97 -1.859 22.894 3.966 1.00 64.55 C ATOM 1486 CG PRO A 97 -0.691 22.408 4.773 1.00 71.04 C ATOM 1487 CD PRO A 97 -0.262 21.073 4.203 1.00 72.30 C ATOM 1488 OXT PRO A 97 -1.300 22.229 0.411 1.00 36.04 O ATOM 0 HA PRO A 97 -2.900 21.856 2.317 1.00 72.55 H new ATOM 0 HB2 PRO A 97 -1.742 23.946 3.705 1.00 64.55 H new ATOM 0 HB3 PRO A 97 -2.787 22.807 4.531 1.00 64.55 H new ATOM 0 HG2 PRO A 97 0.129 23.124 4.728 1.00 71.04 H new ATOM 0 HG3 PRO A 97 -0.967 22.305 5.822 1.00 71.04 H new ATOM 0 HD2 PRO A 97 0.744 21.121 3.787 1.00 72.30 H new ATOM 0 HD3 PRO A 97 -0.254 20.296 4.967 1.00 72.30 H new