USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 590 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 85 ASN : amide:sc= -3.56! C(o=-8!,f=-7.9!) USER MOD Set 1.2: A 87 TYR OH : rot -100:sc= -4.42! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.37) USER MOD Single : A 37 THR OG1 : rot 161:sc= -1.95 USER MOD Single : A 39 THR OG1 : rot 40:sc= -4.17! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 156:sc= 0.00131 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -144:sc= 0.142 USER MOD Single : A 55 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.3!) USER MOD Single : A 56 LYS NZ :NH3+ -139:sc= -7.78! (180deg=-8.22!) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= -0.0143 (180deg=-0.0939) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -157:sc= -0.107 (180deg=-0.686) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-7.4!) USER MOD Single : A 71 TYR OH : rot -175:sc= 0.0175 USER MOD Single : A 72 HIS : no HD1:sc= -1.91! K(o=-1.9!,f=-0.61) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 61:sc= -0.0718! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 149:sc= 1.04 USER MOD Single : A 95 ASN : amide:sc= -0.0122 K(o=-0.012,f=-7.2!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 72:sc= -0.257 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -168:sc= -0.164 (180deg=-0.556) USER MOD Single : A 106 THR OG1 : rot 97:sc= 1.2 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -156:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.648 -12.227 -3.365 1.00 0.00 N ATOM 224 CA GLY A 19 -14.653 -10.814 -3.706 1.00 0.00 C ATOM 225 C GLY A 19 -13.237 -10.236 -3.669 1.00 0.00 C ATOM 226 O GLY A 19 -12.259 -10.981 -3.664 1.00 0.00 O ATOM 0 HA2 GLY A 19 -15.079 -10.678 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.290 -10.270 -3.008 1.00 0.00 H new ATOM 230 N PRO A 20 -13.172 -8.878 -3.642 1.00 0.00 N ATOM 231 CA PRO A 20 -11.892 -8.191 -3.604 1.00 0.00 C ATOM 232 C PRO A 20 -11.262 -8.283 -2.214 1.00 0.00 C ATOM 233 O PRO A 20 -11.884 -8.781 -1.277 1.00 0.00 O ATOM 234 CB PRO A 20 -12.200 -6.763 -4.024 1.00 0.00 C ATOM 235 CG PRO A 20 -13.697 -6.585 -3.831 1.00 0.00 C ATOM 236 CD PRO A 20 -14.311 -7.964 -3.648 1.00 0.00 C ATOM 0 HA PRO A 20 -11.154 -8.638 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.641 -6.049 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.917 -6.592 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.898 -5.959 -2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.136 -6.083 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.874 -8.027 -2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.004 -8.200 -4.456 1.00 0.00 H new ATOM 241 N PRO A 21 -10.000 -7.782 -2.121 1.00 0.00 N ATOM 242 CA PRO A 21 -9.278 -7.802 -0.860 1.00 0.00 C ATOM 243 C PRO A 21 -9.811 -6.732 0.095 1.00 0.00 C ATOM 244 O PRO A 21 -10.320 -5.702 -0.343 1.00 0.00 O ATOM 245 CB PRO A 21 -7.821 -7.590 -1.238 1.00 0.00 C ATOM 246 CG PRO A 21 -7.836 -6.995 -2.637 1.00 0.00 C ATOM 247 CD PRO A 21 -9.232 -7.184 -3.209 1.00 0.00 C ATOM 0 HA PRO A 21 -9.403 -8.740 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.328 -6.920 -0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.272 -8.531 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.577 -5.937 -2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.095 -7.485 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.664 -6.233 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.217 -7.832 -4.086 1.00 0.00 H new ATOM 252 N GLN A 22 -9.675 -7.013 1.383 1.00 0.00 N ATOM 253 CA GLN A 22 -10.136 -6.088 2.403 1.00 0.00 C ATOM 254 C GLN A 22 -9.706 -4.661 2.058 1.00 0.00 C ATOM 255 O GLN A 22 -10.535 -3.752 2.016 1.00 0.00 O ATOM 256 CB GLN A 22 -9.624 -6.496 3.786 1.00 0.00 C ATOM 257 CG GLN A 22 -10.644 -7.376 4.510 1.00 0.00 C ATOM 258 CD GLN A 22 -10.686 -7.049 6.005 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.600 -6.412 6.502 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.648 -7.519 6.691 1.00 0.00 N ATOM 0 H GLN A 22 -9.252 -7.869 1.743 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.225 -6.122 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.681 -7.034 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.420 -5.605 4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.632 -7.228 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.388 -8.426 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.917 -8.045 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.583 -7.353 7.695 1.00 0.00 H new ATOM 267 N ILE A 23 -8.412 -4.507 1.821 1.00 0.00 N ATOM 268 CA ILE A 23 -7.862 -3.205 1.482 1.00 0.00 C ATOM 269 C ILE A 23 -6.531 -3.394 0.751 1.00 0.00 C ATOM 270 O ILE A 23 -5.906 -4.448 0.854 1.00 0.00 O ATOM 271 CB ILE A 23 -7.759 -2.326 2.728 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.877 -0.844 2.366 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.476 -2.625 3.507 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.508 -0.252 2.027 1.00 0.00 C ATOM 0 H ILE A 23 -7.728 -5.263 1.857 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.528 -2.675 0.801 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.597 -2.565 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.549 -0.726 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.318 -0.296 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.428 -1.986 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.473 -3.670 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.611 -2.432 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.620 0.802 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.846 -0.350 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.081 -0.786 1.178 1.00 0.00 H new ATOM 285 N VAL A 24 -6.138 -2.355 0.027 1.00 0.00 N ATOM 286 CA VAL A 24 -4.893 -2.393 -0.720 1.00 0.00 C ATOM 287 C VAL A 24 -4.159 -1.062 -0.548 1.00 0.00 C ATOM 288 O VAL A 24 -4.608 -0.032 -1.046 1.00 0.00 O ATOM 289 CB VAL A 24 -5.173 -2.736 -2.186 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.873 -2.808 -2.989 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.962 -4.042 -2.302 1.00 0.00 C ATOM 0 H VAL A 24 -6.660 -1.483 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.240 -3.176 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.784 -1.937 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.099 -3.053 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.365 -1.845 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.227 -3.578 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.148 -4.263 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.388 -4.855 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.913 -3.940 -1.779 1.00 0.00 H new ATOM 301 N LYS A 25 -3.041 -1.127 0.159 1.00 0.00 N ATOM 302 CA LYS A 25 -2.239 0.059 0.404 1.00 0.00 C ATOM 303 C LYS A 25 -0.824 -0.167 -0.129 1.00 0.00 C ATOM 304 O LYS A 25 -0.444 -1.298 -0.431 1.00 0.00 O ATOM 305 CB LYS A 25 -2.285 0.441 1.886 1.00 0.00 C ATOM 306 CG LYS A 25 -1.787 -0.709 2.763 1.00 0.00 C ATOM 307 CD LYS A 25 -1.063 -0.179 4.003 1.00 0.00 C ATOM 308 CE LYS A 25 -1.955 -0.275 5.242 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.339 1.075 5.711 1.00 0.00 N ATOM 0 H LYS A 25 -2.671 -1.984 0.571 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.649 0.913 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.671 1.326 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.305 0.702 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.629 -1.330 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.113 -1.344 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.147 -0.748 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.769 0.858 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.849 -0.853 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.429 -0.806 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.944 0.991 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.484 1.615 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.859 1.569 4.958 1.00 0.00 H new ATOM 319 N ILE A 26 -0.081 0.926 -0.228 1.00 0.00 N ATOM 320 CA ILE A 26 1.285 0.860 -0.720 1.00 0.00 C ATOM 321 C ILE A 26 2.252 1.110 0.440 1.00 0.00 C ATOM 322 O ILE A 26 2.443 2.251 0.860 1.00 0.00 O ATOM 323 CB ILE A 26 1.477 1.817 -1.897 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.625 1.392 -3.095 1.00 0.00 C ATOM 325 CG2 ILE A 26 2.957 1.946 -2.264 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.245 2.550 -3.589 1.00 0.00 C ATOM 0 H ILE A 26 -0.399 1.862 0.024 1.00 0.00 H new ATOM 0 HA ILE A 26 1.503 -0.135 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 26 1.133 2.805 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.272 1.049 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.009 0.551 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.065 2.632 -3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.512 2.330 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.350 0.968 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.840 2.220 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.908 2.875 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.393 3.381 -3.892 1.00 0.00 H new ATOM 337 N GLU A 27 2.837 0.024 0.924 1.00 0.00 N ATOM 338 CA GLU A 27 3.780 0.111 2.026 1.00 0.00 C ATOM 339 C GLU A 27 4.656 1.357 1.879 1.00 0.00 C ATOM 340 O GLU A 27 4.852 2.099 2.840 1.00 0.00 O ATOM 341 CB GLU A 27 4.637 -1.154 2.116 1.00 0.00 C ATOM 342 CG GLU A 27 4.446 -1.850 3.466 1.00 0.00 C ATOM 343 CD GLU A 27 5.609 -1.542 4.411 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.683 -0.377 4.858 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.397 -2.478 4.665 1.00 0.00 O ATOM 0 H GLU A 27 2.676 -0.920 0.573 1.00 0.00 H new ATOM 0 HA GLU A 27 3.216 0.195 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.370 -1.837 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.687 -0.896 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.509 -1.524 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.370 -2.927 3.316 1.00 0.00 H new ATOM 350 N ASP A 28 5.160 1.548 0.669 1.00 0.00 N ATOM 351 CA ASP A 28 6.009 2.690 0.383 1.00 0.00 C ATOM 352 C ASP A 28 6.591 2.550 -1.026 1.00 0.00 C ATOM 353 O ASP A 28 6.353 1.550 -1.701 1.00 0.00 O ATOM 354 CB ASP A 28 7.176 2.769 1.370 1.00 0.00 C ATOM 355 CG ASP A 28 7.462 4.167 1.923 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.503 4.969 1.963 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.632 4.402 2.295 1.00 0.00 O ATOM 0 H ASP A 28 4.996 0.930 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 28 5.401 3.591 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.972 2.099 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.075 2.399 0.877 1.00 0.00 H new ATOM 361 N VAL A 29 7.340 3.566 -1.427 1.00 0.00 N ATOM 362 CA VAL A 29 7.956 3.568 -2.742 1.00 0.00 C ATOM 363 C VAL A 29 9.294 4.307 -2.672 1.00 0.00 C ATOM 364 O VAL A 29 9.347 5.466 -2.263 1.00 0.00 O ATOM 365 CB VAL A 29 6.994 4.169 -3.769 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.429 5.503 -3.278 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.676 4.329 -5.130 1.00 0.00 C ATOM 0 H VAL A 29 7.534 4.394 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 29 8.164 2.549 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 29 6.160 3.478 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.749 5.908 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.889 5.348 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.246 6.205 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.971 4.758 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.538 4.989 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.006 3.354 -5.489 1.00 0.00 H new ATOM 377 N TRP A 30 10.343 3.607 -3.080 1.00 0.00 N ATOM 378 CA TRP A 30 11.677 4.182 -3.069 1.00 0.00 C ATOM 379 C TRP A 30 12.310 3.933 -4.439 1.00 0.00 C ATOM 380 O TRP A 30 12.087 2.889 -5.050 1.00 0.00 O ATOM 381 CB TRP A 30 12.508 3.616 -1.916 1.00 0.00 C ATOM 382 CG TRP A 30 12.668 2.094 -1.951 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.737 1.386 -2.339 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.679 1.116 -1.567 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.511 0.029 -2.233 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.220 -0.141 -1.748 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.371 1.288 -1.081 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.523 -1.322 -1.469 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.688 0.097 -0.807 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.218 -1.176 -0.985 1.00 0.00 C ATOM 0 H TRP A 30 10.296 2.647 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 30 11.632 5.257 -2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.496 4.075 -1.935 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.042 3.900 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.660 1.823 -2.691 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.170 -0.713 -2.468 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.928 2.262 -0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.968 -2.294 -1.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.678 0.172 -0.431 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.625 -2.048 -0.751 1.00 0.00 H new ATOM 400 N GLY A 31 13.086 4.912 -4.883 1.00 0.00 N ATOM 401 CA GLY A 31 13.753 4.812 -6.170 1.00 0.00 C ATOM 402 C GLY A 31 12.848 4.140 -7.205 1.00 0.00 C ATOM 403 O GLY A 31 11.765 4.639 -7.506 1.00 0.00 O ATOM 0 H GLY A 31 13.267 5.777 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.033 5.807 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.675 4.241 -6.062 1.00 0.00 H new ATOM 407 N GLU A 32 13.327 3.019 -7.723 1.00 0.00 N ATOM 408 CA GLU A 32 12.576 2.273 -8.718 1.00 0.00 C ATOM 409 C GLU A 32 12.010 0.990 -8.106 1.00 0.00 C ATOM 410 O GLU A 32 12.080 -0.076 -8.715 1.00 0.00 O ATOM 411 CB GLU A 32 13.443 1.962 -9.940 1.00 0.00 C ATOM 412 CG GLU A 32 14.279 3.178 -10.344 1.00 0.00 C ATOM 413 CD GLU A 32 15.049 2.908 -11.638 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.781 1.850 -12.249 1.00 0.00 O ATOM 415 OE2 GLU A 32 15.888 3.765 -11.987 1.00 0.00 O ATOM 0 H GLU A 32 14.227 2.609 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 32 11.742 2.890 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.101 1.121 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.808 1.660 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.629 4.043 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.978 3.425 -9.545 1.00 0.00 H new ATOM 420 N ASN A 33 11.463 1.136 -6.907 1.00 0.00 N ATOM 421 CA ASN A 33 10.886 0.002 -6.206 1.00 0.00 C ATOM 422 C ASN A 33 9.641 0.461 -5.443 1.00 0.00 C ATOM 423 O ASN A 33 9.697 1.421 -4.676 1.00 0.00 O ATOM 424 CB ASN A 33 11.874 -0.580 -5.194 1.00 0.00 C ATOM 425 CG ASN A 33 13.214 -0.902 -5.858 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.504 -2.032 -6.215 1.00 0.00 O ATOM 427 ND2 ASN A 33 14.012 0.152 -6.003 1.00 0.00 N ATOM 0 H ASN A 33 11.408 2.022 -6.404 1.00 0.00 H new ATOM 0 HA ASN A 33 10.636 -0.760 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.028 0.130 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.457 -1.485 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.929 0.042 -6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.707 1.071 -5.682 1.00 0.00 H new ATOM 433 N VAL A 34 8.547 -0.248 -5.678 1.00 0.00 N ATOM 434 CA VAL A 34 7.291 0.073 -5.023 1.00 0.00 C ATOM 435 C VAL A 34 6.913 -1.062 -4.070 1.00 0.00 C ATOM 436 O VAL A 34 7.148 -2.232 -4.368 1.00 0.00 O ATOM 437 CB VAL A 34 6.212 0.360 -6.070 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.833 -0.073 -5.568 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.213 1.837 -6.466 1.00 0.00 C ATOM 0 H VAL A 34 8.505 -1.045 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 34 7.393 0.979 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 34 6.443 -0.225 -6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.084 0.142 -6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.841 -1.143 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.590 0.473 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.437 2.014 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.018 2.450 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.185 2.101 -6.884 1.00 0.00 H new ATOM 449 N ALA A 35 6.333 -0.677 -2.942 1.00 0.00 N ATOM 450 CA ALA A 35 5.919 -1.649 -1.943 1.00 0.00 C ATOM 451 C ALA A 35 4.393 -1.650 -1.840 1.00 0.00 C ATOM 452 O ALA A 35 3.789 -0.627 -1.519 1.00 0.00 O ATOM 453 CB ALA A 35 6.595 -1.328 -0.609 1.00 0.00 C ATOM 0 H ALA A 35 6.140 0.294 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 35 6.229 -2.653 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.285 -2.056 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.677 -1.370 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.305 -0.328 -0.285 1.00 0.00 H new ATOM 459 N LEU A 36 3.814 -2.808 -2.118 1.00 0.00 N ATOM 460 CA LEU A 36 2.369 -2.955 -2.059 1.00 0.00 C ATOM 461 C LEU A 36 1.989 -3.716 -0.789 1.00 0.00 C ATOM 462 O LEU A 36 2.767 -4.528 -0.290 1.00 0.00 O ATOM 463 CB LEU A 36 1.845 -3.602 -3.343 1.00 0.00 C ATOM 464 CG LEU A 36 1.781 -2.695 -4.574 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.948 -3.505 -5.862 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.493 -1.869 -4.580 1.00 0.00 C ATOM 0 H LEU A 36 4.318 -3.653 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 36 1.889 -1.978 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.478 -4.458 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.845 -3.989 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 36 2.614 -1.993 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.899 -2.836 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.913 -4.011 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.151 -4.245 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.473 -1.233 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.368 -2.537 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.455 -1.247 -3.686 1.00 0.00 H new ATOM 477 N THR A 37 0.791 -3.426 -0.299 1.00 0.00 N ATOM 478 CA THR A 37 0.299 -4.073 0.905 1.00 0.00 C ATOM 479 C THR A 37 -1.225 -4.194 0.859 1.00 0.00 C ATOM 480 O THR A 37 -1.934 -3.196 0.973 1.00 0.00 O ATOM 481 CB THR A 37 0.810 -3.280 2.110 1.00 0.00 C ATOM 482 OG1 THR A 37 0.920 -1.945 1.626 1.00 0.00 O ATOM 483 CG2 THR A 37 2.242 -3.658 2.494 1.00 0.00 C ATOM 0 H THR A 37 0.148 -2.752 -0.714 1.00 0.00 H new ATOM 0 HA THR A 37 0.673 -5.094 0.987 1.00 0.00 H new ATOM 0 HB THR A 37 0.150 -3.447 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.944 -1.323 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.556 -3.067 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.283 -4.717 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.908 -3.460 1.654 1.00 0.00 H new ATOM 491 N TRP A 38 -1.684 -5.426 0.692 1.00 0.00 N ATOM 492 CA TRP A 38 -3.112 -5.690 0.630 1.00 0.00 C ATOM 493 C TRP A 38 -3.466 -6.644 1.773 1.00 0.00 C ATOM 494 O TRP A 38 -2.619 -7.408 2.234 1.00 0.00 O ATOM 495 CB TRP A 38 -3.509 -6.233 -0.744 1.00 0.00 C ATOM 496 CG TRP A 38 -2.826 -7.551 -1.115 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.284 -8.797 -0.933 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.536 -7.703 -1.745 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.388 -9.737 -1.396 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.291 -9.052 -1.905 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.608 -6.735 -2.163 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.121 -9.554 -2.487 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.556 -7.252 -2.742 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.819 -8.607 -2.913 1.00 0.00 C ATOM 0 H TRP A 38 -1.093 -6.252 0.598 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.681 -4.769 0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.589 -6.376 -0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.270 -5.486 -1.501 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.235 -9.035 -0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.508 -10.750 -1.370 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.779 -5.675 -2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 0.048 -10.615 -2.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.303 -6.549 -3.080 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.743 -8.927 -3.372 1.00 0.00 H new ATOM 514 N THR A 39 -4.718 -6.567 2.199 1.00 0.00 N ATOM 515 CA THR A 39 -5.195 -7.412 3.279 1.00 0.00 C ATOM 516 C THR A 39 -5.923 -8.635 2.718 1.00 0.00 C ATOM 517 O THR A 39 -6.337 -8.638 1.559 1.00 0.00 O ATOM 518 CB THR A 39 -6.066 -6.557 4.200 1.00 0.00 C ATOM 519 OG1 THR A 39 -6.910 -5.834 3.308 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.266 -5.469 4.921 1.00 0.00 C ATOM 0 H THR A 39 -5.417 -5.931 1.815 1.00 0.00 H new ATOM 0 HA THR A 39 -4.366 -7.807 3.866 1.00 0.00 H new ATOM 0 HB THR A 39 -6.552 -7.197 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.194 -6.422 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.933 -4.891 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.489 -5.932 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.806 -4.808 4.186 1.00 0.00 H new ATOM 528 N PRO A 40 -6.060 -9.672 3.587 1.00 0.00 N ATOM 529 CA PRO A 40 -6.731 -10.899 3.190 1.00 0.00 C ATOM 530 C PRO A 40 -8.247 -10.700 3.133 1.00 0.00 C ATOM 531 O PRO A 40 -8.772 -9.735 3.685 1.00 0.00 O ATOM 532 CB PRO A 40 -6.306 -11.931 4.222 1.00 0.00 C ATOM 533 CG PRO A 40 -5.790 -11.142 5.414 1.00 0.00 C ATOM 534 CD PRO A 40 -5.583 -9.704 4.966 1.00 0.00 C ATOM 0 HA PRO A 40 -6.457 -11.223 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.145 -12.566 4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.532 -12.586 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.502 -11.186 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.854 -11.567 5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.141 -9.010 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.533 -9.417 5.028 1.00 0.00 H new ATOM 539 N PRO A 41 -8.926 -11.656 2.443 1.00 0.00 N ATOM 540 CA PRO A 41 -10.371 -11.596 2.307 1.00 0.00 C ATOM 541 C PRO A 41 -11.061 -11.998 3.611 1.00 0.00 C ATOM 542 O PRO A 41 -10.598 -12.895 4.313 1.00 0.00 O ATOM 543 CB PRO A 41 -10.697 -12.527 1.151 1.00 0.00 C ATOM 544 CG PRO A 41 -9.482 -13.426 0.985 1.00 0.00 C ATOM 545 CD PRO A 41 -8.337 -12.813 1.777 1.00 0.00 C ATOM 0 HA PRO A 41 -10.733 -10.588 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.591 -13.114 1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.893 -11.963 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.699 -14.432 1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.214 -13.515 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.931 -13.521 2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.516 -12.518 1.123 1.00 0.00 H new ATOM 550 N LYS A 42 -12.160 -11.315 3.897 1.00 0.00 N ATOM 551 CA LYS A 42 -12.921 -11.590 5.104 1.00 0.00 C ATOM 552 C LYS A 42 -13.925 -12.709 4.826 1.00 0.00 C ATOM 553 O LYS A 42 -14.558 -13.225 5.747 1.00 0.00 O ATOM 554 CB LYS A 42 -13.562 -10.307 5.638 1.00 0.00 C ATOM 555 CG LYS A 42 -13.158 -10.057 7.093 1.00 0.00 C ATOM 556 CD LYS A 42 -13.937 -8.880 7.683 1.00 0.00 C ATOM 557 CE LYS A 42 -15.296 -9.336 8.220 1.00 0.00 C ATOM 558 NZ LYS A 42 -16.153 -8.167 8.520 1.00 0.00 N ATOM 0 H LYS A 42 -12.542 -10.571 3.313 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.262 -11.943 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.258 -9.461 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.647 -10.381 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.343 -10.953 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.088 -9.854 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.359 -8.423 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.081 -8.116 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.787 -9.976 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.156 -9.933 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.071 -8.494 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.690 -7.571 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.301 -7.613 7.652 1.00 0.00 H new ATOM 630 N ILE A 49 -8.370 -19.860 -0.609 1.00 0.00 N ATOM 631 CA ILE A 49 -7.584 -18.824 -1.258 1.00 0.00 C ATOM 632 C ILE A 49 -6.181 -19.362 -1.548 1.00 0.00 C ATOM 633 O ILE A 49 -5.324 -19.377 -0.667 1.00 0.00 O ATOM 634 CB ILE A 49 -7.591 -17.543 -0.423 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.020 -17.054 -0.179 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.718 -16.464 -1.068 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.558 -17.577 1.155 1.00 0.00 C ATOM 0 HA ILE A 49 -8.027 -18.554 -2.216 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.158 -17.768 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.041 -15.964 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.666 -17.387 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.740 -15.563 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.692 -16.825 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.099 -16.235 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.575 -17.215 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.559 -18.667 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.924 -17.222 1.967 1.00 0.00 H new ATOM 648 N THR A 50 -5.991 -19.789 -2.788 1.00 0.00 N ATOM 649 CA THR A 50 -4.707 -20.327 -3.205 1.00 0.00 C ATOM 650 C THR A 50 -3.627 -19.245 -3.134 1.00 0.00 C ATOM 651 O THR A 50 -2.602 -19.428 -2.478 1.00 0.00 O ATOM 652 CB THR A 50 -4.877 -20.924 -4.604 1.00 0.00 C ATOM 653 OG1 THR A 50 -5.447 -19.864 -5.367 1.00 0.00 O ATOM 654 CG2 THR A 50 -5.937 -22.026 -4.646 1.00 0.00 C ATOM 0 H THR A 50 -6.704 -19.773 -3.517 1.00 0.00 H new ATOM 0 HA THR A 50 -4.374 -21.120 -2.535 1.00 0.00 H new ATOM 0 HB THR A 50 -3.923 -21.326 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.242 -19.997 -6.316 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.017 -22.415 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.651 -22.832 -3.970 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.899 -21.617 -4.337 1.00 0.00 H new ATOM 662 N GLY A 51 -3.895 -18.141 -3.816 1.00 0.00 N ATOM 663 CA GLY A 51 -2.959 -17.029 -3.838 1.00 0.00 C ATOM 664 C GLY A 51 -3.666 -15.725 -4.212 1.00 0.00 C ATOM 665 O GLY A 51 -4.854 -15.558 -3.938 1.00 0.00 O ATOM 0 H GLY A 51 -4.747 -17.993 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.490 -16.925 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.163 -17.233 -4.554 1.00 0.00 H new ATOM 669 N TYR A 52 -2.906 -14.834 -4.831 1.00 0.00 N ATOM 670 CA TYR A 52 -3.444 -13.549 -5.244 1.00 0.00 C ATOM 671 C TYR A 52 -2.784 -13.070 -6.539 1.00 0.00 C ATOM 672 O TYR A 52 -1.641 -13.421 -6.824 1.00 0.00 O ATOM 673 CB TYR A 52 -3.107 -12.569 -4.120 1.00 0.00 C ATOM 674 CG TYR A 52 -3.624 -12.996 -2.745 1.00 0.00 C ATOM 675 CD1 TYR A 52 -4.982 -13.015 -2.494 1.00 0.00 C ATOM 676 CD2 TYR A 52 -2.734 -13.363 -1.756 1.00 0.00 C ATOM 677 CE1 TYR A 52 -5.468 -13.416 -1.200 1.00 0.00 C ATOM 678 CE2 TYR A 52 -3.222 -13.766 -0.462 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.565 -13.773 -0.248 1.00 0.00 C ATOM 680 OH TYR A 52 -5.025 -14.152 0.974 1.00 0.00 O ATOM 0 H TYR A 52 -1.922 -14.977 -5.057 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.516 -13.622 -5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.025 -12.450 -4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.524 -11.593 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.679 -12.729 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.672 -13.348 -1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.527 -13.433 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.537 -14.056 0.321 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.267 -14.380 1.552 1.00 0.00 H new ATOM 689 N THR A 53 -3.534 -12.274 -7.288 1.00 0.00 N ATOM 690 CA THR A 53 -3.036 -11.743 -8.545 1.00 0.00 C ATOM 691 C THR A 53 -2.845 -10.228 -8.445 1.00 0.00 C ATOM 692 O THR A 53 -3.704 -9.523 -7.919 1.00 0.00 O ATOM 693 CB THR A 53 -4.005 -12.161 -9.652 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.815 -13.568 -9.767 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.599 -11.618 -11.023 1.00 0.00 C ATOM 0 H THR A 53 -4.482 -11.984 -7.048 1.00 0.00 H new ATOM 0 HA THR A 53 -2.053 -12.148 -8.784 1.00 0.00 H new ATOM 0 HB THR A 53 -5.008 -11.812 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.897 -13.833 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.321 -11.944 -11.772 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.577 -10.529 -10.991 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.610 -11.993 -11.285 1.00 0.00 H new ATOM 703 N ILE A 54 -1.712 -9.771 -8.959 1.00 0.00 N ATOM 704 CA ILE A 54 -1.397 -8.354 -8.935 1.00 0.00 C ATOM 705 C ILE A 54 -1.399 -7.810 -10.364 1.00 0.00 C ATOM 706 O ILE A 54 -0.810 -8.411 -11.262 1.00 0.00 O ATOM 707 CB ILE A 54 -0.085 -8.109 -8.186 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.251 -8.376 -6.688 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.449 -6.702 -8.462 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.740 -9.439 -6.208 1.00 0.00 C ATOM 0 H ILE A 54 -1.001 -10.358 -9.395 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.160 -7.804 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 54 0.658 -8.814 -8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.097 -7.452 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.270 -8.705 -6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.382 -6.554 -7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.629 -6.584 -9.531 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.283 -5.964 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.601 -9.610 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.567 -10.369 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.758 -9.096 -6.391 1.00 0.00 H new ATOM 721 N GLN A 55 -2.069 -6.679 -10.533 1.00 0.00 N ATOM 722 CA GLN A 55 -2.156 -6.047 -11.838 1.00 0.00 C ATOM 723 C GLN A 55 -1.891 -4.545 -11.720 1.00 0.00 C ATOM 724 O GLN A 55 -2.632 -3.831 -11.046 1.00 0.00 O ATOM 725 CB GLN A 55 -3.515 -6.315 -12.487 1.00 0.00 C ATOM 726 CG GLN A 55 -3.781 -7.817 -12.604 1.00 0.00 C ATOM 727 CD GLN A 55 -4.425 -8.158 -13.948 1.00 0.00 C ATOM 728 OE1 GLN A 55 -4.191 -7.515 -14.959 1.00 0.00 O ATOM 729 NE2 GLN A 55 -5.248 -9.202 -13.906 1.00 0.00 N ATOM 0 H GLN A 55 -2.557 -6.184 -9.787 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.391 -6.481 -12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.303 -5.848 -11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.546 -5.859 -13.476 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.845 -8.365 -12.496 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.434 -8.138 -11.792 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.400 -9.697 -13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.727 -9.508 -14.753 1.00 0.00 H new ATOM 736 N LYS A 56 -0.831 -4.109 -12.386 1.00 0.00 N ATOM 737 CA LYS A 56 -0.460 -2.705 -12.365 1.00 0.00 C ATOM 738 C LYS A 56 -0.602 -2.123 -13.772 1.00 0.00 C ATOM 739 O LYS A 56 -0.746 -2.864 -14.743 1.00 0.00 O ATOM 740 CB LYS A 56 0.937 -2.529 -11.765 1.00 0.00 C ATOM 741 CG LYS A 56 1.991 -3.249 -12.609 1.00 0.00 C ATOM 742 CD LYS A 56 3.343 -3.276 -11.894 1.00 0.00 C ATOM 743 CE LYS A 56 3.167 -3.552 -10.400 1.00 0.00 C ATOM 744 NZ LYS A 56 2.300 -4.733 -10.189 1.00 0.00 N ATOM 0 H LYS A 56 -0.218 -4.704 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.133 -2.143 -11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.179 -1.468 -11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.952 -2.920 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.664 -4.268 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.095 -2.748 -13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.978 -4.044 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.852 -2.322 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.140 -3.721 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.730 -2.681 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.650 -4.550 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.751 -4.919 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.889 -5.561 -9.969 1.00 0.00 H new ATOM 754 N ALA A 57 -0.556 -0.800 -13.838 1.00 0.00 N ATOM 755 CA ALA A 57 -0.679 -0.109 -15.110 1.00 0.00 C ATOM 756 C ALA A 57 -0.028 1.271 -15.002 1.00 0.00 C ATOM 757 O ALA A 57 0.205 1.766 -13.899 1.00 0.00 O ATOM 758 CB ALA A 57 -2.154 -0.028 -15.508 1.00 0.00 C ATOM 0 H ALA A 57 -0.435 -0.189 -13.031 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.159 -0.658 -15.895 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.245 0.491 -16.462 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.561 -1.035 -15.602 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.708 0.518 -14.744 1.00 0.00 H new ATOM 764 N ASP A 58 0.248 1.853 -16.160 1.00 0.00 N ATOM 765 CA ASP A 58 0.867 3.166 -16.208 1.00 0.00 C ATOM 766 C ASP A 58 -0.207 4.224 -16.469 1.00 0.00 C ATOM 767 O ASP A 58 -1.341 3.890 -16.810 1.00 0.00 O ATOM 768 CB ASP A 58 1.896 3.249 -17.337 1.00 0.00 C ATOM 769 CG ASP A 58 1.844 2.098 -18.344 1.00 0.00 C ATOM 770 OD1 ASP A 58 1.040 2.212 -19.295 1.00 0.00 O ATOM 771 OD2 ASP A 58 2.609 1.131 -18.140 1.00 0.00 O ATOM 0 H ASP A 58 0.054 1.439 -17.072 1.00 0.00 H new ATOM 0 HA ASP A 58 1.364 3.339 -15.253 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.751 4.187 -17.872 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.893 3.283 -16.898 1.00 0.00 H new ATOM 775 N LYS A 59 0.188 5.477 -16.300 1.00 0.00 N ATOM 776 CA LYS A 59 -0.728 6.585 -16.514 1.00 0.00 C ATOM 777 C LYS A 59 -0.612 7.065 -17.963 1.00 0.00 C ATOM 778 O LYS A 59 -0.910 8.220 -18.263 1.00 0.00 O ATOM 779 CB LYS A 59 -0.486 7.687 -15.480 1.00 0.00 C ATOM 780 CG LYS A 59 -1.616 7.729 -14.450 1.00 0.00 C ATOM 781 CD LYS A 59 -2.625 8.829 -14.787 1.00 0.00 C ATOM 782 CE LYS A 59 -2.135 10.192 -14.295 1.00 0.00 C ATOM 783 NZ LYS A 59 -1.790 11.063 -15.440 1.00 0.00 N ATOM 0 H LYS A 59 1.129 5.750 -16.018 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.758 6.261 -16.367 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.465 7.515 -14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.410 8.652 -15.982 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.121 6.764 -14.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.201 7.903 -13.457 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.785 8.863 -15.865 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.587 8.598 -14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.908 10.666 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.263 10.062 -13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.987 11.673 -15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.530 10.475 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.609 11.655 -15.685 1.00 0.00 H new ATOM 793 N LYS A 60 -0.180 6.153 -18.821 1.00 0.00 N ATOM 794 CA LYS A 60 -0.021 6.469 -20.231 1.00 0.00 C ATOM 795 C LYS A 60 -1.080 5.716 -21.040 1.00 0.00 C ATOM 796 O LYS A 60 -1.790 6.313 -21.847 1.00 0.00 O ATOM 797 CB LYS A 60 1.413 6.188 -20.685 1.00 0.00 C ATOM 798 CG LYS A 60 2.415 6.530 -19.580 1.00 0.00 C ATOM 799 CD LYS A 60 2.422 8.034 -19.294 1.00 0.00 C ATOM 800 CE LYS A 60 3.763 8.473 -18.704 1.00 0.00 C ATOM 801 NZ LYS A 60 4.000 9.910 -18.967 1.00 0.00 N ATOM 0 H LYS A 60 0.065 5.196 -18.568 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.183 7.533 -20.403 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.512 5.138 -20.959 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.637 6.772 -21.577 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.160 5.984 -18.671 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.413 6.208 -19.876 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.228 8.584 -20.215 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.618 8.280 -18.601 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.772 8.288 -17.630 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.569 7.880 -19.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.915 10.191 -18.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.012 10.078 -19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.240 10.472 -18.533 1.00 0.00 H new ATOM 811 N SER A 61 -1.154 4.416 -20.794 1.00 0.00 N ATOM 812 CA SER A 61 -2.114 3.577 -21.489 1.00 0.00 C ATOM 813 C SER A 61 -3.096 2.964 -20.487 1.00 0.00 C ATOM 814 O SER A 61 -4.206 2.582 -20.855 1.00 0.00 O ATOM 815 CB SER A 61 -1.409 2.473 -22.282 1.00 0.00 C ATOM 816 OG SER A 61 -2.251 1.919 -23.289 1.00 0.00 O ATOM 0 H SER A 61 -0.564 3.924 -20.123 1.00 0.00 H new ATOM 0 HA SER A 61 -2.664 4.200 -22.194 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.508 2.877 -22.744 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.091 1.684 -21.601 1.00 0.00 H new ATOM 0 HG SER A 61 -1.765 1.220 -23.774 1.00 0.00 H new ATOM 821 N MET A 62 -2.652 2.891 -19.241 1.00 0.00 N ATOM 822 CA MET A 62 -3.477 2.332 -18.185 1.00 0.00 C ATOM 823 C MET A 62 -3.830 0.872 -18.477 1.00 0.00 C ATOM 824 O MET A 62 -4.974 0.458 -18.296 1.00 0.00 O ATOM 825 CB MET A 62 -4.762 3.152 -18.054 1.00 0.00 C ATOM 826 CG MET A 62 -4.523 4.419 -17.230 1.00 0.00 C ATOM 827 SD MET A 62 -4.100 3.986 -15.551 1.00 0.00 S ATOM 828 CE MET A 62 -5.682 3.388 -14.978 1.00 0.00 C ATOM 0 H MET A 62 -1.731 3.210 -18.939 1.00 0.00 H new ATOM 0 HA MET A 62 -2.914 2.369 -17.252 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.128 3.422 -19.045 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.537 2.548 -17.582 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.720 5.006 -17.676 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.417 5.042 -17.239 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.726 3.460 -13.891 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.479 3.991 -15.414 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.808 2.348 -15.278 1.00 0.00 H new ATOM 836 N GLU A 63 -2.826 0.133 -18.926 1.00 0.00 N ATOM 837 CA GLU A 63 -3.016 -1.271 -19.246 1.00 0.00 C ATOM 838 C GLU A 63 -2.767 -2.136 -18.009 1.00 0.00 C ATOM 839 O GLU A 63 -1.812 -1.906 -17.268 1.00 0.00 O ATOM 840 CB GLU A 63 -2.111 -1.697 -20.404 1.00 0.00 C ATOM 841 CG GLU A 63 -2.523 -1.005 -21.705 1.00 0.00 C ATOM 842 CD GLU A 63 -2.924 -2.030 -22.768 1.00 0.00 C ATOM 843 OE1 GLU A 63 -4.018 -2.615 -22.608 1.00 0.00 O ATOM 844 OE2 GLU A 63 -2.128 -2.206 -23.716 1.00 0.00 O ATOM 0 H GLU A 63 -1.879 0.480 -19.076 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.049 -1.414 -19.564 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.075 -1.452 -20.170 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.162 -2.778 -20.531 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.357 -0.329 -21.514 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.698 -0.396 -22.075 1.00 0.00 H new ATOM 849 N TRP A 64 -3.643 -3.113 -17.823 1.00 0.00 N ATOM 850 CA TRP A 64 -3.529 -4.012 -16.688 1.00 0.00 C ATOM 851 C TRP A 64 -2.903 -5.318 -17.180 1.00 0.00 C ATOM 852 O TRP A 64 -3.551 -6.098 -17.876 1.00 0.00 O ATOM 853 CB TRP A 64 -4.888 -4.219 -16.014 1.00 0.00 C ATOM 854 CG TRP A 64 -5.526 -2.929 -15.493 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.509 -2.211 -16.051 1.00 0.00 C ATOM 856 CD2 TRP A 64 -5.181 -2.229 -14.278 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.823 -1.104 -15.288 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.990 -1.116 -14.176 1.00 0.00 C ATOM 859 CE3 TRP A 64 -4.217 -2.528 -13.299 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.918 -0.212 -13.110 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -4.159 -1.614 -12.239 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.966 -0.488 -12.122 1.00 0.00 C ATOM 0 H TRP A 64 -4.434 -3.301 -18.439 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.884 -3.584 -15.921 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.568 -4.687 -16.726 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.768 -4.914 -15.183 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.995 -2.466 -16.981 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.535 -0.406 -15.501 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.573 -3.393 -13.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.563 0.653 -13.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.436 -1.797 -11.458 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.859 0.171 -11.273 1.00 0.00 H new ATOM 872 N PHE A 65 -1.649 -5.516 -16.800 1.00 0.00 N ATOM 873 CA PHE A 65 -0.927 -6.715 -17.194 1.00 0.00 C ATOM 874 C PHE A 65 -0.511 -7.532 -15.970 1.00 0.00 C ATOM 875 O PHE A 65 0.306 -7.082 -15.167 1.00 0.00 O ATOM 876 CB PHE A 65 0.329 -6.255 -17.938 1.00 0.00 C ATOM 877 CG PHE A 65 0.252 -6.430 -19.456 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.650 -7.599 -20.027 1.00 0.00 C ATOM 879 CD2 PHE A 65 -0.215 -5.417 -20.234 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.579 -7.761 -21.436 1.00 0.00 C ATOM 881 CE2 PHE A 65 -0.286 -5.580 -21.644 1.00 0.00 C ATOM 882 CZ PHE A 65 0.112 -6.748 -22.214 1.00 0.00 C ATOM 0 H PHE A 65 -1.114 -4.866 -16.223 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.562 -7.344 -17.817 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.508 -5.204 -17.712 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.187 -6.812 -17.561 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.020 -8.404 -19.409 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.532 -4.489 -19.781 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.896 -8.688 -21.890 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.656 -4.776 -22.263 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.057 -6.872 -23.286 1.00 0.00 H new ATOM 891 N THR A 66 -1.091 -8.718 -15.865 1.00 0.00 N ATOM 892 CA THR A 66 -0.791 -9.602 -14.752 1.00 0.00 C ATOM 893 C THR A 66 0.693 -9.519 -14.391 1.00 0.00 C ATOM 894 O THR A 66 1.556 -9.736 -15.242 1.00 0.00 O ATOM 895 CB THR A 66 -1.245 -11.013 -15.132 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.668 -10.936 -15.111 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.911 -12.047 -14.055 1.00 0.00 C ATOM 0 H THR A 66 -1.768 -9.088 -16.533 1.00 0.00 H new ATOM 0 HA THR A 66 -1.330 -9.303 -13.853 1.00 0.00 H new ATOM 0 HB THR A 66 -0.775 -11.305 -16.071 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.046 -11.809 -15.348 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.255 -13.030 -14.376 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.167 -12.073 -13.898 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.407 -11.775 -13.123 1.00 0.00 H new ATOM 905 N VAL A 67 0.946 -9.206 -13.129 1.00 0.00 N ATOM 906 CA VAL A 67 2.312 -9.091 -12.645 1.00 0.00 C ATOM 907 C VAL A 67 2.701 -10.381 -11.920 1.00 0.00 C ATOM 908 O VAL A 67 3.860 -10.790 -11.953 1.00 0.00 O ATOM 909 CB VAL A 67 2.453 -7.846 -11.767 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.686 -7.947 -10.867 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.497 -6.576 -12.619 1.00 0.00 C ATOM 0 H VAL A 67 0.228 -9.028 -12.426 1.00 0.00 H new ATOM 0 HA VAL A 67 3.003 -8.965 -13.478 1.00 0.00 H new ATOM 0 HB VAL A 67 1.574 -7.787 -11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.763 -7.049 -10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.595 -8.821 -10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.580 -8.043 -11.484 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.598 -5.706 -11.970 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.348 -6.623 -13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.576 -6.493 -13.197 1.00 0.00 H new ATOM 921 N ILE A 68 1.709 -10.986 -11.282 1.00 0.00 N ATOM 922 CA ILE A 68 1.934 -12.221 -10.551 1.00 0.00 C ATOM 923 C ILE A 68 0.598 -12.937 -10.346 1.00 0.00 C ATOM 924 O ILE A 68 -0.451 -12.297 -10.276 1.00 0.00 O ATOM 925 CB ILE A 68 2.690 -11.944 -9.250 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.701 -13.053 -8.955 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.717 -11.731 -8.086 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.029 -12.468 -8.471 1.00 0.00 C ATOM 0 H ILE A 68 0.748 -10.644 -11.256 1.00 0.00 H new ATOM 0 HA ILE A 68 2.572 -12.893 -11.125 1.00 0.00 H new ATOM 0 HB ILE A 68 3.254 -11.020 -9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.298 -13.726 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.867 -13.647 -9.853 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.279 -11.536 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.071 -10.880 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.108 -12.625 -7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.731 -13.277 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.441 -11.815 -9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.863 -11.894 -7.559 1.00 0.00 H new ATOM 939 N GLU A 69 0.677 -14.257 -10.255 1.00 0.00 N ATOM 940 CA GLU A 69 -0.513 -15.066 -10.059 1.00 0.00 C ATOM 941 C GLU A 69 -0.259 -16.134 -8.993 1.00 0.00 C ATOM 942 O GLU A 69 0.852 -16.652 -8.879 1.00 0.00 O ATOM 943 CB GLU A 69 -0.966 -15.703 -11.374 1.00 0.00 C ATOM 944 CG GLU A 69 -1.644 -14.670 -12.277 1.00 0.00 C ATOM 945 CD GLU A 69 -2.856 -15.276 -12.989 1.00 0.00 C ATOM 946 OE1 GLU A 69 -3.941 -15.267 -12.369 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.670 -15.734 -14.137 1.00 0.00 O ATOM 0 H GLU A 69 1.547 -14.786 -10.314 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.316 -14.416 -9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.107 -16.134 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.657 -16.520 -11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.958 -13.812 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.931 -14.302 -13.015 1.00 0.00 H new ATOM 952 N HIS A 70 -1.306 -16.433 -8.238 1.00 0.00 N ATOM 953 CA HIS A 70 -1.210 -17.430 -7.186 1.00 0.00 C ATOM 954 C HIS A 70 0.015 -17.142 -6.316 1.00 0.00 C ATOM 955 O HIS A 70 0.780 -18.051 -5.995 1.00 0.00 O ATOM 956 CB HIS A 70 -1.201 -18.842 -7.774 1.00 0.00 C ATOM 957 CG HIS A 70 -2.454 -19.197 -8.540 1.00 0.00 C ATOM 958 ND1 HIS A 70 -3.115 -20.402 -8.380 1.00 0.00 N ATOM 959 CD2 HIS A 70 -3.158 -18.492 -9.472 1.00 0.00 C ATOM 960 CE1 HIS A 70 -4.168 -20.411 -9.185 1.00 0.00 C ATOM 961 NE2 HIS A 70 -4.192 -19.226 -9.861 1.00 0.00 N ATOM 0 H HIS A 70 -2.225 -16.002 -8.334 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.089 -17.372 -6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.342 -18.943 -8.437 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.066 -19.560 -6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.915 -17.503 -9.832 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.882 -21.215 -9.288 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.890 -18.950 -10.552 1.00 0.00 H new ATOM 968 N TYR A 71 0.164 -15.875 -5.960 1.00 0.00 N ATOM 969 CA TYR A 71 1.284 -15.455 -5.134 1.00 0.00 C ATOM 970 C TYR A 71 1.250 -16.152 -3.773 1.00 0.00 C ATOM 971 O TYR A 71 0.395 -17.000 -3.525 1.00 0.00 O ATOM 972 CB TYR A 71 1.115 -13.949 -4.928 1.00 0.00 C ATOM 973 CG TYR A 71 2.416 -13.217 -4.594 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.581 -13.540 -5.262 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.427 -12.235 -3.626 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.805 -12.851 -4.947 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.652 -11.546 -3.311 1.00 0.00 C ATOM 978 CZ TYR A 71 4.780 -11.888 -3.988 1.00 0.00 C ATOM 979 OH TYR A 71 5.937 -11.238 -3.691 1.00 0.00 O ATOM 0 H TYR A 71 -0.473 -15.125 -6.228 1.00 0.00 H new ATOM 0 HA TYR A 71 2.231 -15.707 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.687 -13.515 -5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.399 -13.781 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.574 -14.309 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.516 -11.982 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.723 -13.094 -5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.674 -10.776 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 71 5.788 -10.633 -2.935 1.00 0.00 H new ATOM 988 N HIS A 72 2.193 -15.767 -2.924 1.00 0.00 N ATOM 989 CA HIS A 72 2.282 -16.343 -1.593 1.00 0.00 C ATOM 990 C HIS A 72 1.893 -15.292 -0.551 1.00 0.00 C ATOM 991 O HIS A 72 0.775 -15.305 -0.039 1.00 0.00 O ATOM 992 CB HIS A 72 3.673 -16.934 -1.349 1.00 0.00 C ATOM 993 CG HIS A 72 3.862 -17.507 0.035 1.00 0.00 C ATOM 994 ND1 HIS A 72 4.442 -18.743 0.261 1.00 0.00 N ATOM 995 CD2 HIS A 72 3.544 -17.001 1.261 1.00 0.00 C ATOM 996 CE1 HIS A 72 4.466 -18.962 1.568 1.00 0.00 C ATOM 997 NE2 HIS A 72 3.908 -17.881 2.186 1.00 0.00 N ATOM 0 H HIS A 72 2.901 -15.063 -3.133 1.00 0.00 H new ATOM 0 HA HIS A 72 1.578 -17.170 -1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.858 -17.717 -2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.420 -16.158 -1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.075 -16.046 1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.858 -19.841 2.058 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.790 -17.768 3.193 1.00 0.00 H new ATOM 1004 N ARG A 73 2.838 -14.407 -0.269 1.00 0.00 N ATOM 1005 CA ARG A 73 2.608 -13.351 0.702 1.00 0.00 C ATOM 1006 C ARG A 73 1.558 -12.369 0.179 1.00 0.00 C ATOM 1007 O ARG A 73 0.985 -12.578 -0.888 1.00 0.00 O ATOM 1008 CB ARG A 73 3.900 -12.592 1.007 1.00 0.00 C ATOM 1009 CG ARG A 73 4.549 -13.107 2.293 1.00 0.00 C ATOM 1010 CD ARG A 73 4.381 -12.101 3.433 1.00 0.00 C ATOM 1011 NE ARG A 73 5.707 -11.693 3.948 1.00 0.00 N ATOM 1012 CZ ARG A 73 5.891 -10.754 4.887 1.00 0.00 C ATOM 1013 NH1 ARG A 73 4.837 -10.120 5.418 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.131 -10.448 5.293 1.00 0.00 N ATOM 0 H ARG A 73 3.764 -14.400 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 73 2.249 -13.817 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.596 -12.702 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.686 -11.528 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.100 -14.060 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.609 -13.293 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.834 -11.227 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.791 -12.543 4.235 1.00 0.00 H new ATOM 0 HE ARG A 73 6.532 -12.155 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.893 -10.352 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.978 -9.406 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.934 -10.929 4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.272 -9.734 6.007 1.00 0.00 H new ATOM 1025 N THR A 74 1.337 -11.320 0.957 1.00 0.00 N ATOM 1026 CA THR A 74 0.366 -10.304 0.586 1.00 0.00 C ATOM 1027 C THR A 74 1.076 -9.011 0.181 1.00 0.00 C ATOM 1028 O THR A 74 0.428 -7.994 -0.067 1.00 0.00 O ATOM 1029 CB THR A 74 -0.601 -10.125 1.758 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.221 -9.639 2.816 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.138 -11.457 2.284 1.00 0.00 C ATOM 0 H THR A 74 1.814 -11.151 1.843 1.00 0.00 H new ATOM 0 HA THR A 74 -0.211 -10.608 -0.287 1.00 0.00 H new ATOM 0 HB THR A 74 -1.435 -9.496 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.327 -9.494 3.615 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.819 -11.272 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.671 -11.975 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.308 -12.074 2.626 1.00 0.00 H new ATOM 1039 N SER A 75 2.397 -9.091 0.124 1.00 0.00 N ATOM 1040 CA SER A 75 3.202 -7.940 -0.248 1.00 0.00 C ATOM 1041 C SER A 75 4.230 -8.340 -1.307 1.00 0.00 C ATOM 1042 O SER A 75 4.856 -9.395 -1.202 1.00 0.00 O ATOM 1043 CB SER A 75 3.902 -7.339 0.973 1.00 0.00 C ATOM 1044 OG SER A 75 3.870 -8.220 2.093 1.00 0.00 O ATOM 0 H SER A 75 2.930 -9.936 0.329 1.00 0.00 H new ATOM 0 HA SER A 75 2.540 -7.180 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.937 -7.110 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.423 -6.397 1.239 1.00 0.00 H new ATOM 0 HG SER A 75 4.328 -7.802 2.852 1.00 0.00 H new ATOM 1049 N ALA A 76 4.375 -7.478 -2.301 1.00 0.00 N ATOM 1050 CA ALA A 76 5.317 -7.728 -3.378 1.00 0.00 C ATOM 1051 C ALA A 76 6.044 -6.428 -3.728 1.00 0.00 C ATOM 1052 O ALA A 76 5.437 -5.358 -3.739 1.00 0.00 O ATOM 1053 CB ALA A 76 4.576 -8.322 -4.578 1.00 0.00 C ATOM 0 H ALA A 76 3.855 -6.604 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 76 6.069 -8.453 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.283 -8.509 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.102 -9.259 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.814 -7.621 -4.918 1.00 0.00 H new ATOM 1059 N THR A 77 7.332 -6.563 -4.004 1.00 0.00 N ATOM 1060 CA THR A 77 8.149 -5.412 -4.353 1.00 0.00 C ATOM 1061 C THR A 77 8.234 -5.260 -5.873 1.00 0.00 C ATOM 1062 O THR A 77 8.797 -6.115 -6.555 1.00 0.00 O ATOM 1063 CB THR A 77 9.512 -5.578 -3.680 1.00 0.00 C ATOM 1064 OG1 THR A 77 9.207 -5.668 -2.291 1.00 0.00 O ATOM 1065 CG2 THR A 77 10.377 -4.321 -3.792 1.00 0.00 C ATOM 0 H THR A 77 7.831 -7.452 -3.993 1.00 0.00 H new ATOM 0 HA THR A 77 7.704 -4.486 -3.990 1.00 0.00 H new ATOM 0 HB THR A 77 10.037 -6.421 -4.129 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.036 -5.779 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.333 -4.492 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.548 -4.089 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.867 -3.484 -3.315 1.00 0.00 H new ATOM 1073 N ILE A 78 7.667 -4.165 -6.359 1.00 0.00 N ATOM 1074 CA ILE A 78 7.673 -3.890 -7.786 1.00 0.00 C ATOM 1075 C ILE A 78 9.009 -3.252 -8.172 1.00 0.00 C ATOM 1076 O ILE A 78 9.690 -2.669 -7.330 1.00 0.00 O ATOM 1077 CB ILE A 78 6.455 -3.050 -8.174 1.00 0.00 C ATOM 1078 CG1 ILE A 78 5.171 -3.645 -7.591 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.369 -2.878 -9.693 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.937 -5.064 -8.114 1.00 0.00 C ATOM 0 H ILE A 78 7.201 -3.458 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 78 7.586 -4.816 -8.354 1.00 0.00 H new ATOM 0 HB ILE A 78 6.574 -2.056 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.235 -3.661 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.322 -3.013 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.494 -2.277 -9.942 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.268 -2.378 -10.054 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.284 -3.856 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.018 -5.463 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.850 -5.042 -9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.776 -5.699 -7.831 1.00 0.00 H new ATOM 1091 N THR A 79 9.344 -3.384 -9.447 1.00 0.00 N ATOM 1092 CA THR A 79 10.587 -2.827 -9.956 1.00 0.00 C ATOM 1093 C THR A 79 10.364 -2.198 -11.332 1.00 0.00 C ATOM 1094 O THR A 79 9.226 -2.003 -11.754 1.00 0.00 O ATOM 1095 CB THR A 79 11.637 -3.940 -9.958 1.00 0.00 C ATOM 1096 OG1 THR A 79 12.766 -3.349 -10.596 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.256 -5.103 -10.877 1.00 0.00 C ATOM 0 H THR A 79 8.777 -3.868 -10.143 1.00 0.00 H new ATOM 0 HA THR A 79 10.950 -2.020 -9.320 1.00 0.00 H new ATOM 0 HB THR A 79 11.776 -4.311 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.068 -2.575 -10.076 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.035 -5.865 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.311 -5.534 -10.546 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.151 -4.740 -11.899 1.00 0.00 H new ATOM 1105 N GLU A 80 11.472 -1.899 -11.996 1.00 0.00 N ATOM 1106 CA GLU A 80 11.412 -1.296 -13.317 1.00 0.00 C ATOM 1107 C GLU A 80 10.477 -0.084 -13.306 1.00 0.00 C ATOM 1108 O GLU A 80 9.689 0.106 -14.231 1.00 0.00 O ATOM 1109 CB GLU A 80 10.973 -2.317 -14.367 1.00 0.00 C ATOM 1110 CG GLU A 80 12.181 -3.029 -14.979 1.00 0.00 C ATOM 1111 CD GLU A 80 11.859 -3.549 -16.381 1.00 0.00 C ATOM 1112 OE1 GLU A 80 11.646 -2.694 -17.269 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.833 -4.789 -16.535 1.00 0.00 O ATOM 0 H GLU A 80 12.415 -2.063 -11.644 1.00 0.00 H new ATOM 0 HA GLU A 80 12.412 -0.956 -13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.307 -3.050 -13.911 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.406 -1.816 -15.152 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.026 -2.342 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.481 -3.859 -14.339 1.00 0.00 H new ATOM 1118 N LEU A 81 10.596 0.705 -12.247 1.00 0.00 N ATOM 1119 CA LEU A 81 9.772 1.893 -12.104 1.00 0.00 C ATOM 1120 C LEU A 81 10.622 3.135 -12.377 1.00 0.00 C ATOM 1121 O LEU A 81 11.725 3.266 -11.847 1.00 0.00 O ATOM 1122 CB LEU A 81 9.085 1.906 -10.737 1.00 0.00 C ATOM 1123 CG LEU A 81 8.070 0.788 -10.486 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.858 0.568 -8.986 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.755 1.067 -11.215 1.00 0.00 C ATOM 0 H LEU A 81 11.250 0.544 -11.481 1.00 0.00 H new ATOM 0 HA LEU A 81 8.968 1.890 -12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.853 1.852 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.578 2.864 -10.616 1.00 0.00 H new ATOM 0 HG LEU A 81 8.474 -0.138 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.133 -0.231 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.805 0.292 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.486 1.487 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.052 0.257 -11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.334 2.007 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.941 1.136 -12.287 1.00 0.00 H new ATOM 1136 N VAL A 82 10.078 4.016 -13.203 1.00 0.00 N ATOM 1137 CA VAL A 82 10.773 5.243 -13.553 1.00 0.00 C ATOM 1138 C VAL A 82 10.432 6.327 -12.528 1.00 0.00 C ATOM 1139 O VAL A 82 9.291 6.425 -12.081 1.00 0.00 O ATOM 1140 CB VAL A 82 10.430 5.648 -14.989 1.00 0.00 C ATOM 1141 CG1 VAL A 82 8.923 5.853 -15.155 1.00 0.00 C ATOM 1142 CG2 VAL A 82 11.202 6.901 -15.404 1.00 0.00 C ATOM 0 H VAL A 82 9.163 3.905 -13.640 1.00 0.00 H new ATOM 0 HA VAL A 82 11.852 5.093 -13.521 1.00 0.00 H new ATOM 0 HB VAL A 82 10.733 4.834 -15.648 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.706 6.140 -16.184 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.401 4.925 -14.919 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.586 6.640 -14.480 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.940 7.167 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.944 7.724 -14.738 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.273 6.706 -15.342 1.00 0.00 H new ATOM 1152 N ILE A 83 11.444 7.112 -12.187 1.00 0.00 N ATOM 1153 CA ILE A 83 11.265 8.185 -11.223 1.00 0.00 C ATOM 1154 C ILE A 83 10.675 9.407 -11.930 1.00 0.00 C ATOM 1155 O ILE A 83 11.258 9.917 -12.886 1.00 0.00 O ATOM 1156 CB ILE A 83 12.578 8.472 -10.491 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.135 7.202 -9.844 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.406 9.604 -9.477 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.591 7.396 -9.419 1.00 0.00 C ATOM 0 H ILE A 83 12.389 7.027 -12.560 1.00 0.00 H new ATOM 0 HA ILE A 83 10.555 7.889 -10.451 1.00 0.00 H new ATOM 0 HB ILE A 83 13.311 8.807 -11.225 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.531 6.937 -8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.065 6.371 -10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.354 9.787 -8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.089 10.510 -9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.652 9.323 -8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.962 6.479 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.196 7.637 -10.293 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.654 8.211 -8.698 1.00 0.00 H new ATOM 1170 N GLY A 84 9.527 9.841 -11.432 1.00 0.00 N ATOM 1171 CA GLY A 84 8.851 10.994 -12.005 1.00 0.00 C ATOM 1172 C GLY A 84 7.547 10.581 -12.690 1.00 0.00 C ATOM 1173 O GLY A 84 6.827 11.425 -13.221 1.00 0.00 O ATOM 0 H GLY A 84 9.047 9.416 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.640 11.722 -11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.506 11.483 -12.726 1.00 0.00 H new ATOM 1177 N ASN A 85 7.283 9.283 -12.655 1.00 0.00 N ATOM 1178 CA ASN A 85 6.079 8.748 -13.267 1.00 0.00 C ATOM 1179 C ASN A 85 5.196 8.124 -12.184 1.00 0.00 C ATOM 1180 O ASN A 85 5.674 7.803 -11.097 1.00 0.00 O ATOM 1181 CB ASN A 85 6.416 7.658 -14.287 1.00 0.00 C ATOM 1182 CG ASN A 85 6.523 8.242 -15.698 1.00 0.00 C ATOM 1183 OD1 ASN A 85 6.303 9.421 -15.927 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.873 7.355 -16.625 1.00 0.00 N ATOM 0 H ASN A 85 7.882 8.586 -12.212 1.00 0.00 H new ATOM 0 HA ASN A 85 5.565 9.567 -13.771 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.357 7.179 -14.015 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.647 6.885 -14.267 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.972 7.646 -17.598 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.042 6.384 -16.363 1.00 0.00 H new ATOM 1190 N GLU A 86 3.923 7.971 -12.518 1.00 0.00 N ATOM 1191 CA GLU A 86 2.970 7.390 -11.588 1.00 0.00 C ATOM 1192 C GLU A 86 2.404 6.086 -12.151 1.00 0.00 C ATOM 1193 O GLU A 86 2.225 5.954 -13.361 1.00 0.00 O ATOM 1194 CB GLU A 86 1.849 8.379 -11.264 1.00 0.00 C ATOM 1195 CG GLU A 86 0.836 7.764 -10.297 1.00 0.00 C ATOM 1196 CD GLU A 86 -0.463 7.399 -11.021 1.00 0.00 C ATOM 1197 OE1 GLU A 86 -0.438 6.387 -11.756 1.00 0.00 O ATOM 1198 OE2 GLU A 86 -1.449 8.141 -10.826 1.00 0.00 O ATOM 0 H GLU A 86 3.529 8.239 -13.420 1.00 0.00 H new ATOM 0 HA GLU A 86 3.492 7.164 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.272 9.283 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.345 8.676 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.262 6.873 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.623 8.468 -9.492 1.00 0.00 H new ATOM 1203 N TYR A 87 2.139 5.154 -11.248 1.00 0.00 N ATOM 1204 CA TYR A 87 1.597 3.863 -11.640 1.00 0.00 C ATOM 1205 C TYR A 87 0.483 3.424 -10.687 1.00 0.00 C ATOM 1206 O TYR A 87 0.414 3.890 -9.552 1.00 0.00 O ATOM 1207 CB TYR A 87 2.758 2.872 -11.541 1.00 0.00 C ATOM 1208 CG TYR A 87 3.894 3.141 -12.530 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.776 2.733 -13.844 1.00 0.00 C ATOM 1210 CD2 TYR A 87 5.034 3.793 -12.110 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.845 2.987 -14.775 1.00 0.00 C ATOM 1212 CE2 TYR A 87 6.103 4.047 -13.041 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.956 3.631 -14.327 1.00 0.00 C ATOM 1214 OH TYR A 87 6.965 3.872 -15.207 1.00 0.00 O ATOM 0 H TYR A 87 2.289 5.267 -10.245 1.00 0.00 H new ATOM 0 HA TYR A 87 1.174 3.912 -12.643 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.159 2.898 -10.528 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.377 1.864 -11.707 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.882 2.224 -14.173 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.125 4.113 -11.083 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.766 2.673 -15.805 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.001 4.556 -12.725 1.00 0.00 H new ATOM 0 HH TYR A 87 7.670 3.202 -15.088 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.359 2.531 -11.185 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.466 2.024 -10.393 1.00 0.00 C ATOM 1225 C TYR A 88 -1.321 0.520 -10.149 1.00 0.00 C ATOM 1226 O TYR A 88 -0.542 -0.150 -10.825 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.727 2.274 -11.221 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.240 3.715 -11.155 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.774 4.204 -9.980 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.167 4.525 -12.270 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.255 5.559 -9.917 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.650 5.880 -12.208 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.170 6.330 -11.034 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.625 7.611 -10.975 1.00 0.00 O ATOM 0 H TYR A 88 -0.297 2.146 -12.127 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.500 2.517 -9.421 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.523 2.019 -12.261 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.514 1.603 -10.877 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.831 3.570 -9.108 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.748 4.143 -13.189 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.674 5.954 -9.003 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.601 6.524 -13.073 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.500 8.043 -11.846 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.083 0.034 -9.180 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.050 -1.377 -8.837 1.00 0.00 C ATOM 1245 C PHE A 89 -3.438 -1.877 -8.432 1.00 0.00 C ATOM 1246 O PHE A 89 -4.284 -1.092 -8.007 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.099 -1.527 -7.648 1.00 0.00 C ATOM 1248 CG PHE A 89 0.214 -0.757 -7.799 1.00 0.00 C ATOM 1249 CD1 PHE A 89 0.275 0.557 -7.452 1.00 0.00 C ATOM 1250 CD2 PHE A 89 1.319 -1.385 -8.281 1.00 0.00 C ATOM 1251 CE1 PHE A 89 1.494 1.272 -7.592 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.538 -0.670 -8.422 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.599 0.644 -8.074 1.00 0.00 C ATOM 0 H PHE A 89 -2.728 0.593 -8.621 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.721 -1.960 -9.697 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.606 -1.186 -6.745 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.874 -2.584 -7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.603 1.056 -7.070 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.270 -2.428 -8.557 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.543 2.315 -7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.416 -1.169 -8.805 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.526 1.188 -8.181 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.629 -3.179 -8.580 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.900 -3.792 -8.234 1.00 0.00 C ATOM 1264 C ARG A 90 -4.699 -5.267 -7.877 1.00 0.00 C ATOM 1265 O ARG A 90 -4.208 -6.045 -8.692 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.895 -3.687 -9.392 1.00 0.00 C ATOM 1267 CG ARG A 90 -6.961 -2.628 -9.105 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.644 -2.173 -10.396 1.00 0.00 C ATOM 1269 NE ARG A 90 -8.581 -3.215 -10.868 1.00 0.00 N ATOM 1270 CZ ARG A 90 -9.856 -3.318 -10.467 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -10.353 -2.441 -9.584 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -10.633 -4.297 -10.949 1.00 0.00 N ATOM 0 H ARG A 90 -2.925 -3.827 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.302 -3.258 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.365 -3.435 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.372 -4.653 -9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.705 -3.033 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.504 -1.771 -8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.181 -1.241 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.895 -1.972 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.235 -3.899 -11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.761 -1.696 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.323 -2.519 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.255 -4.964 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.603 -4.375 -10.644 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.090 -5.605 -6.657 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.957 -6.972 -6.181 1.00 0.00 C ATOM 1285 C VAL A 91 -6.314 -7.673 -6.275 1.00 0.00 C ATOM 1286 O VAL A 91 -7.341 -7.096 -5.920 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.377 -6.979 -4.765 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.201 -8.410 -4.253 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.056 -6.211 -4.710 1.00 0.00 C ATOM 0 H VAL A 91 -5.499 -4.957 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.259 -7.529 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.086 -6.473 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.787 -8.387 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.168 -8.912 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.522 -8.951 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.665 -6.231 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.337 -6.676 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.223 -5.178 -5.014 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.275 -8.908 -6.754 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.489 -9.693 -6.900 1.00 0.00 C ATOM 1301 C PHE A 92 -7.431 -10.956 -6.037 1.00 0.00 C ATOM 1302 O PHE A 92 -6.348 -11.421 -5.683 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.586 -10.099 -8.371 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.578 -8.918 -9.344 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.466 -8.147 -9.468 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.684 -8.642 -10.086 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -6.458 -7.051 -10.371 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.677 -7.547 -10.989 1.00 0.00 C ATOM 1309 CZ PHE A 92 -7.564 -6.774 -11.113 1.00 0.00 C ATOM 0 H PHE A 92 -5.422 -9.384 -7.046 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.352 -9.107 -6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.753 -10.760 -8.611 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.501 -10.673 -8.519 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.588 -8.368 -8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.567 -9.256 -9.988 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.574 -6.438 -10.469 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.555 -7.327 -11.578 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.559 -5.941 -11.800 1.00 0.00 H new ATOM 1318 N SER A 93 -8.609 -11.474 -5.722 1.00 0.00 N ATOM 1319 CA SER A 93 -8.705 -12.673 -4.908 1.00 0.00 C ATOM 1320 C SER A 93 -8.682 -13.915 -5.801 1.00 0.00 C ATOM 1321 O SER A 93 -9.495 -14.041 -6.716 1.00 0.00 O ATOM 1322 CB SER A 93 -9.975 -12.657 -4.054 1.00 0.00 C ATOM 1323 OG SER A 93 -9.983 -11.573 -3.130 1.00 0.00 O ATOM 0 H SER A 93 -9.505 -11.085 -6.016 1.00 0.00 H new ATOM 0 HA SER A 93 -7.847 -12.701 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.848 -12.586 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.058 -13.598 -3.510 1.00 0.00 H new ATOM 0 HG SER A 93 -10.906 -11.283 -2.974 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.743 -14.801 -5.503 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.604 -16.028 -6.268 1.00 0.00 C ATOM 1330 C GLU A 94 -8.170 -17.211 -5.481 1.00 0.00 C ATOM 1331 O GLU A 94 -8.199 -17.187 -4.252 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.143 -16.273 -6.649 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.965 -16.275 -8.170 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.153 -17.681 -8.743 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -5.886 -18.641 -7.988 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -6.560 -17.764 -9.921 1.00 0.00 O ATOM 0 H GLU A 94 -7.072 -14.693 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.174 -15.924 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.514 -15.501 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.812 -17.227 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.685 -15.594 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.972 -15.905 -8.424 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.607 -18.220 -6.221 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.171 -19.410 -5.607 1.00 0.00 C ATOM 1343 C ASN A 95 -9.610 -20.384 -6.702 1.00 0.00 C ATOM 1344 O ASN A 95 -9.331 -20.166 -7.880 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.399 -19.064 -4.762 1.00 0.00 C ATOM 1346 CG ASN A 95 -10.529 -20.014 -3.570 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -10.533 -21.226 -3.706 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -10.635 -19.396 -2.397 1.00 0.00 N ATOM 0 H ASN A 95 -8.582 -18.238 -7.241 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.407 -19.855 -4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.322 -18.037 -4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.297 -19.122 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.727 -19.941 -1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.625 -18.377 -2.355 1.00 0.00 H new ATOM 1354 N MET A 96 -10.289 -21.439 -6.275 1.00 0.00 N ATOM 1355 CA MET A 96 -10.768 -22.447 -7.204 1.00 0.00 C ATOM 1356 C MET A 96 -12.170 -22.102 -7.712 1.00 0.00 C ATOM 1357 O MET A 96 -12.973 -22.994 -7.982 1.00 0.00 O ATOM 1358 CB MET A 96 -10.798 -23.809 -6.509 1.00 0.00 C ATOM 1359 CG MET A 96 -11.879 -23.850 -5.427 1.00 0.00 C ATOM 1360 SD MET A 96 -11.281 -24.739 -4.000 1.00 0.00 S ATOM 1361 CE MET A 96 -12.771 -25.598 -3.523 1.00 0.00 C ATOM 0 H MET A 96 -10.519 -21.617 -5.297 1.00 0.00 H new ATOM 0 HA MET A 96 -10.090 -22.479 -8.057 1.00 0.00 H new ATOM 0 HB2 MET A 96 -10.985 -24.592 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 96 -9.825 -24.015 -6.064 1.00 0.00 H new ATOM 0 HG2 MET A 96 -12.159 -22.836 -5.143 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.776 -24.331 -5.816 1.00 0.00 H new ATOM 0 HE1 MET A 96 -12.574 -26.206 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 96 -13.553 -24.873 -3.297 1.00 0.00 H new ATOM 0 HE3 MET A 96 -13.098 -26.241 -4.340 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.422 -20.807 -7.826 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.712 -20.333 -8.296 1.00 0.00 C ATOM 1371 C CYS A 97 -13.484 -19.474 -9.542 1.00 0.00 C ATOM 1372 O CYS A 97 -14.007 -19.778 -10.614 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.466 -19.568 -7.206 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.179 -20.196 -7.071 1.00 0.00 S ATOM 0 H CYS A 97 -11.754 -20.070 -7.601 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.343 -21.184 -8.553 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.953 -19.679 -6.251 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.478 -18.503 -7.439 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.809 -19.541 -6.141 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.703 -18.420 -9.360 1.00 0.00 N ATOM 1380 CA GLY A 98 -12.400 -17.515 -10.456 1.00 0.00 C ATOM 1381 C GLY A 98 -11.955 -16.148 -9.931 1.00 0.00 C ATOM 1382 O GLY A 98 -12.474 -15.666 -8.926 1.00 0.00 O ATOM 0 H GLY A 98 -12.271 -18.172 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.614 -17.943 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.280 -17.397 -11.089 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.999 -15.563 -10.638 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.478 -14.261 -10.256 1.00 0.00 C ATOM 1388 C LEU A 99 -11.633 -13.368 -9.800 1.00 0.00 C ATOM 1389 O LEU A 99 -12.788 -13.616 -10.143 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.649 -13.660 -11.394 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.131 -13.699 -11.210 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.724 -13.068 -9.878 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.597 -15.126 -11.356 1.00 0.00 C ATOM 0 H LEU A 99 -10.572 -15.966 -11.472 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.796 -14.357 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.897 -14.187 -12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.952 -12.622 -11.529 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.676 -13.103 -12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.640 -13.109 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.052 -12.029 -9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.189 -13.616 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.515 -15.125 -11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.057 -15.765 -10.602 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.838 -15.505 -12.349 1.00 0.00 H new ATOM 1404 N SER A 100 -11.283 -12.347 -9.031 1.00 0.00 N ATOM 1405 CA SER A 100 -12.277 -11.416 -8.523 1.00 0.00 C ATOM 1406 C SER A 100 -12.649 -10.406 -9.610 1.00 0.00 C ATOM 1407 O SER A 100 -11.783 -9.716 -10.144 1.00 0.00 O ATOM 1408 CB SER A 100 -11.766 -10.691 -7.276 1.00 0.00 C ATOM 1409 OG SER A 100 -10.383 -10.360 -7.380 1.00 0.00 O ATOM 0 H SER A 100 -10.325 -12.144 -8.747 1.00 0.00 H new ATOM 0 HA SER A 100 -13.165 -11.982 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.346 -9.781 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.923 -11.321 -6.400 1.00 0.00 H new ATOM 0 HG SER A 100 -10.268 -9.632 -8.026 1.00 0.00 H new ATOM 1414 N GLU A 101 -13.941 -10.350 -9.903 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.439 -9.435 -10.916 1.00 0.00 C ATOM 1416 C GLU A 101 -13.919 -8.020 -10.656 1.00 0.00 C ATOM 1417 O GLU A 101 -13.447 -7.350 -11.572 1.00 0.00 O ATOM 1418 CB GLU A 101 -15.967 -9.456 -10.969 1.00 0.00 C ATOM 1419 CG GLU A 101 -16.462 -10.089 -12.272 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.166 -9.054 -13.151 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -16.438 -8.243 -13.765 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -18.414 -9.098 -13.192 1.00 0.00 O ATOM 0 H GLU A 101 -14.657 -10.923 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.069 -9.764 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.356 -10.015 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.351 -8.439 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.620 -10.520 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -17.147 -10.906 -12.046 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.023 -7.608 -9.401 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.569 -6.285 -9.008 1.00 0.00 C ATOM 1429 C ASP A 102 -12.318 -6.417 -8.136 1.00 0.00 C ATOM 1430 O ASP A 102 -12.134 -7.426 -7.458 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.638 -5.555 -8.192 1.00 0.00 C ATOM 1432 CG ASP A 102 -16.045 -5.589 -8.793 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.190 -6.221 -9.861 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.942 -4.980 -8.171 1.00 0.00 O ATOM 0 H ASP A 102 -14.415 -8.167 -8.643 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.358 -5.719 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.674 -5.993 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.335 -4.515 -8.072 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.491 -5.382 -8.182 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.263 -5.371 -7.405 1.00 0.00 C ATOM 1440 C ALA A 103 -10.156 -4.046 -6.648 1.00 0.00 C ATOM 1441 O ALA A 103 -10.561 -3.001 -7.158 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.070 -5.611 -8.332 1.00 0.00 C ATOM 0 H ALA A 103 -11.647 -4.546 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.268 -6.173 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.149 -5.603 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.180 -6.578 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.030 -4.824 -9.085 1.00 0.00 H new ATOM 1448 N THR A 104 -9.610 -4.131 -5.445 1.00 0.00 N ATOM 1449 CA THR A 104 -9.445 -2.952 -4.612 1.00 0.00 C ATOM 1450 C THR A 104 -8.167 -2.203 -4.996 1.00 0.00 C ATOM 1451 O THR A 104 -7.073 -2.581 -4.581 1.00 0.00 O ATOM 1452 CB THR A 104 -9.472 -3.397 -3.149 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.857 -3.576 -2.865 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.036 -2.288 -2.190 1.00 0.00 C ATOM 0 H THR A 104 -9.276 -4.999 -5.026 1.00 0.00 H new ATOM 0 HA THR A 104 -10.259 -2.243 -4.765 1.00 0.00 H new ATOM 0 HB THR A 104 -8.822 -4.262 -3.022 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.965 -3.867 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.074 -2.658 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.018 -1.981 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.706 -1.434 -2.293 1.00 0.00 H new ATOM 1462 N MET A 105 -8.349 -1.153 -5.784 1.00 0.00 N ATOM 1463 CA MET A 105 -7.224 -0.347 -6.228 1.00 0.00 C ATOM 1464 C MET A 105 -6.799 0.646 -5.145 1.00 0.00 C ATOM 1465 O MET A 105 -7.641 1.189 -4.430 1.00 0.00 O ATOM 1466 CB MET A 105 -7.612 0.416 -7.496 1.00 0.00 C ATOM 1467 CG MET A 105 -6.402 1.137 -8.094 1.00 0.00 C ATOM 1468 SD MET A 105 -6.853 2.799 -8.562 1.00 0.00 S ATOM 1469 CE MET A 105 -6.718 2.668 -10.338 1.00 0.00 C ATOM 0 H MET A 105 -9.258 -0.842 -6.126 1.00 0.00 H new ATOM 0 HA MET A 105 -6.385 -1.011 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.026 -0.276 -8.229 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.393 1.140 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.588 1.162 -7.369 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.037 0.592 -8.964 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.757 3.664 -10.780 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.772 2.192 -10.597 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.543 2.068 -10.722 1.00 0.00 H new ATOM 1477 N THR A 106 -5.493 0.853 -5.056 1.00 0.00 N ATOM 1478 CA THR A 106 -4.947 1.772 -4.072 1.00 0.00 C ATOM 1479 C THR A 106 -5.703 3.101 -4.105 1.00 0.00 C ATOM 1480 O THR A 106 -5.725 3.782 -5.129 1.00 0.00 O ATOM 1481 CB THR A 106 -3.448 1.918 -4.344 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.383 2.382 -5.689 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.725 0.571 -4.379 1.00 0.00 C ATOM 0 H THR A 106 -4.798 0.400 -5.649 1.00 0.00 H new ATOM 0 HA THR A 106 -5.073 1.389 -3.059 1.00 0.00 H new ATOM 0 HB THR A 106 -3.000 2.550 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.293 3.358 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.665 0.732 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.844 0.069 -3.419 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.150 -0.050 -5.168 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.305 3.431 -2.972 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.061 4.667 -2.857 1.00 0.00 C ATOM 1493 C LYS A 107 -6.311 5.786 -3.583 1.00 0.00 C ATOM 1494 O LYS A 107 -6.929 6.703 -4.123 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.361 4.978 -1.390 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.862 5.172 -1.166 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.179 6.623 -0.800 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.690 6.862 -0.763 1.00 0.00 C ATOM 1499 NZ LYS A 107 -10.990 8.199 -0.205 1.00 0.00 N ATOM 0 H LYS A 107 -6.285 2.864 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.032 4.567 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.998 4.165 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.825 5.878 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.407 4.893 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.203 4.510 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.746 6.859 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.719 7.294 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.102 6.781 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.171 6.093 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.020 8.345 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.614 8.264 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.547 8.930 -0.798 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.991 5.675 -3.573 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.151 6.666 -4.223 1.00 0.00 C ATOM 1511 C GLU A 108 -3.091 5.979 -5.086 1.00 0.00 C ATOM 1512 O GLU A 108 -2.906 4.767 -5.001 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.504 7.595 -3.194 1.00 0.00 C ATOM 1514 CG GLU A 108 -2.635 6.806 -2.213 1.00 0.00 C ATOM 1515 CD GLU A 108 -1.988 7.736 -1.184 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -2.750 8.300 -0.370 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -0.745 7.860 -1.235 1.00 0.00 O ATOM 0 H GLU A 108 -4.482 4.913 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.778 7.277 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.896 8.342 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.278 8.134 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.243 6.059 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.861 6.267 -2.759 1.00 0.00 H new ATOM 1522 N SER A 109 -2.422 6.786 -5.898 1.00 0.00 N ATOM 1523 CA SER A 109 -1.386 6.270 -6.775 1.00 0.00 C ATOM 1524 C SER A 109 -0.031 6.312 -6.066 1.00 0.00 C ATOM 1525 O SER A 109 0.095 6.900 -4.993 1.00 0.00 O ATOM 1526 CB SER A 109 -1.325 7.065 -8.082 1.00 0.00 C ATOM 1527 OG SER A 109 -0.899 8.409 -7.871 1.00 0.00 O ATOM 0 H SER A 109 -2.578 7.792 -5.966 1.00 0.00 H new ATOM 0 HA SER A 109 -1.629 5.236 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.642 6.573 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.309 7.066 -8.552 1.00 0.00 H new ATOM 0 HG SER A 109 -1.223 8.974 -8.604 1.00 0.00 H new ATOM 1532 N ALA A 110 0.950 5.680 -6.694 1.00 0.00 N ATOM 1533 CA ALA A 110 2.291 5.637 -6.136 1.00 0.00 C ATOM 1534 C ALA A 110 3.226 6.481 -7.004 1.00 0.00 C ATOM 1535 O ALA A 110 3.462 6.156 -8.166 1.00 0.00 O ATOM 1536 CB ALA A 110 2.752 4.182 -6.025 1.00 0.00 C ATOM 0 H ALA A 110 0.843 5.193 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 110 2.303 6.059 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.758 4.150 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.071 3.633 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.756 3.725 -7.015 1.00 0.00 H new ATOM 1542 N VAL A 111 3.736 7.548 -6.405 1.00 0.00 N ATOM 1543 CA VAL A 111 4.641 8.440 -7.109 1.00 0.00 C ATOM 1544 C VAL A 111 6.081 7.972 -6.893 1.00 0.00 C ATOM 1545 O VAL A 111 6.589 8.009 -5.773 1.00 0.00 O ATOM 1546 CB VAL A 111 4.407 9.883 -6.659 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.512 10.806 -7.177 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.027 10.379 -7.099 1.00 0.00 C ATOM 0 H VAL A 111 3.539 7.814 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 111 4.448 8.413 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 111 4.438 9.902 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.321 11.826 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.475 10.472 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.528 10.779 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.887 11.407 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.954 10.336 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.256 9.747 -6.659 1.00 0.00 H new ATOM 1558 N ILE A 112 6.700 7.545 -7.983 1.00 0.00 N ATOM 1559 CA ILE A 112 8.073 7.071 -7.928 1.00 0.00 C ATOM 1560 C ILE A 112 8.990 8.225 -7.519 1.00 0.00 C ATOM 1561 O ILE A 112 8.874 9.331 -8.045 1.00 0.00 O ATOM 1562 CB ILE A 112 8.466 6.412 -9.250 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.440 5.354 -9.662 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.883 5.838 -9.178 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.028 4.494 -8.466 1.00 0.00 C ATOM 0 H ILE A 112 6.276 7.517 -8.910 1.00 0.00 H new ATOM 0 HA ILE A 112 8.178 6.296 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 112 8.468 7.178 -10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.561 5.840 -10.085 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.860 4.720 -10.443 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.137 5.375 -10.132 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.590 6.640 -8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.933 5.090 -8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.298 3.750 -8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.905 3.990 -8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.586 5.128 -7.697 1.00 0.00 H new ATOM 1576 N ALA A 113 9.882 7.928 -6.586 1.00 0.00 N ATOM 1577 CA ALA A 113 10.819 8.928 -6.101 1.00 0.00 C ATOM 1578 C ALA A 113 12.144 8.250 -5.749 1.00 0.00 C ATOM 1579 O ALA A 113 12.292 7.041 -5.920 1.00 0.00 O ATOM 1580 CB ALA A 113 10.207 9.666 -4.909 1.00 0.00 C ATOM 0 H ALA A 113 9.976 7.009 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 113 11.023 9.670 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.910 10.416 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.283 10.155 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.991 8.954 -4.112 1.00 0.00 H new