USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc=-0.00279 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -2.53! C(o=-8.2!,f=-9.8!) USER MOD Set 2.2: A 55 GLN : amide:sc= -5.68! K(o=-8.2!,f=-4.8) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.822) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.647 USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 28 ASN : amide:sc= -4.69! C(o=-4.7!,f=-8.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-0.81) USER MOD Single : A 30 TYR OH : rot -151:sc= -0.143 USER MOD Single : A 33 LYS NZ :NH3+ -127:sc=-0.00713 (180deg=-0.146) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -4.69! C(o=-4.7!,f=-5.2!) USER MOD Single : A 45 GLN : amide:sc= -0.0863 K(o=-0.086,f=-0.93) USER MOD Single : A 48 THR OG1 : rot -101:sc= 0.0716 USER MOD Single : A 58 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.175) USER MOD Single : A 69 ASN : amide:sc= -5.17! K(o=-5.2!,f=-2) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= -0.0939 (180deg=-0.413) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 77 GLN : amide:sc= 0.466 K(o=0.47,f=-8.6!) USER MOD Single : A 78 MET CE :methyl -149:sc= -0.0245 (180deg=-0.856) USER MOD Single : A 81 ASN : amide:sc= -1.91 K(o=-1.9,f=-11!) USER MOD Single : A 85 CYS SG : rot 69:sc= 0.0211 USER MOD Single : A 87 ASN : amide:sc= 0.307 X(o=0.31,f=-0.1) USER MOD Single : A 100 SER OG : rot 16:sc= 0.485 USER MOD Single : A 106 ASN : amide:sc=-0.00348 X(o=-0.0035,f=-0.16) USER MOD Single : A 108 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.7) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= -0.0829 (180deg=-0.476) USER MOD Single : A 118 SER OG : rot 180:sc= -0.248 USER MOD Single : A 120 SER OG : rot 61:sc= 0.87 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 3.006 16.425 -5.388 1.00 0.00 N ATOM 202 CA GLY A 15 2.387 16.743 -4.115 1.00 0.00 C ATOM 203 C GLY A 15 1.712 15.542 -3.483 1.00 0.00 C ATOM 204 O GLY A 15 1.426 14.553 -4.160 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.144 17.131 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.652 17.535 -4.260 1.00 0.00 H new ATOM 208 N LEU A 16 1.457 15.625 -2.182 1.00 0.00 N ATOM 209 CA LEU A 16 0.812 14.535 -1.458 1.00 0.00 C ATOM 210 C LEU A 16 -0.275 13.885 -2.307 1.00 0.00 C ATOM 211 O LEU A 16 -0.288 12.668 -2.489 1.00 0.00 O ATOM 212 CB LEU A 16 0.213 15.051 -0.148 1.00 0.00 C ATOM 213 CG LEU A 16 1.205 15.625 0.864 1.00 0.00 C ATOM 214 CD1 LEU A 16 0.498 15.974 2.165 1.00 0.00 C ATOM 215 CD2 LEU A 16 2.337 14.640 1.118 1.00 0.00 C ATOM 0 H LEU A 16 1.687 16.435 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 16 1.569 13.783 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.520 15.822 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.328 14.233 0.328 1.00 0.00 H new ATOM 0 HG LEU A 16 1.631 16.539 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.220 16.381 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.277 16.715 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.044 15.076 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.034 15.065 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.928 13.710 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.861 14.439 0.184 1.00 0.00 H new ATOM 227 N GLU A 17 -1.184 14.705 -2.825 1.00 0.00 N ATOM 228 CA GLU A 17 -2.274 14.209 -3.656 1.00 0.00 C ATOM 229 C GLU A 17 -1.735 13.502 -4.897 1.00 0.00 C ATOM 230 O GLU A 17 -2.254 12.464 -5.308 1.00 0.00 O ATOM 231 CB GLU A 17 -3.194 15.359 -4.071 1.00 0.00 C ATOM 232 CG GLU A 17 -4.076 15.870 -2.944 1.00 0.00 C ATOM 233 CD GLU A 17 -5.125 16.853 -3.424 1.00 0.00 C ATOM 234 OE1 GLU A 17 -4.752 17.985 -3.797 1.00 0.00 O ATOM 235 OE2 GLU A 17 -6.320 16.491 -3.428 1.00 0.00 O ATOM 0 H GLU A 17 -1.187 15.715 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.845 13.490 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.586 16.182 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.827 15.028 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.568 15.026 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.453 16.349 -2.189 1.00 0.00 H new ATOM 242 N ASP A 18 -0.691 14.072 -5.488 1.00 0.00 N ATOM 243 CA ASP A 18 -0.080 13.498 -6.681 1.00 0.00 C ATOM 244 C ASP A 18 0.571 12.154 -6.365 1.00 0.00 C ATOM 245 O ASP A 18 0.668 11.283 -7.229 1.00 0.00 O ATOM 246 CB ASP A 18 0.960 14.458 -7.260 1.00 0.00 C ATOM 247 CG ASP A 18 0.337 15.526 -8.138 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.877 15.781 -7.990 1.00 0.00 O ATOM 249 OD2 ASP A 18 1.062 16.106 -8.971 1.00 0.00 O ATOM 0 H ASP A 18 -0.250 14.931 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.865 13.337 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.504 14.934 -6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.688 13.893 -7.842 1.00 0.00 H new ATOM 254 N GLN A 19 1.016 11.996 -5.123 1.00 0.00 N ATOM 255 CA GLN A 19 1.659 10.759 -4.694 1.00 0.00 C ATOM 256 C GLN A 19 0.662 9.605 -4.675 1.00 0.00 C ATOM 257 O GLN A 19 0.953 8.510 -5.157 1.00 0.00 O ATOM 258 CB GLN A 19 2.280 10.936 -3.307 1.00 0.00 C ATOM 259 CG GLN A 19 3.121 12.195 -3.173 1.00 0.00 C ATOM 260 CD GLN A 19 4.151 12.093 -2.066 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.916 11.455 -1.040 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.302 12.724 -2.268 1.00 0.00 N ATOM 0 H GLN A 19 0.943 12.708 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 19 2.447 10.522 -5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.484 10.960 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.901 10.069 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.627 12.392 -4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.467 13.045 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.455 13.241 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.033 12.691 -1.558 1.00 0.00 H new ATOM 271 N LYS A 20 -0.516 9.858 -4.114 1.00 0.00 N ATOM 272 CA LYS A 20 -1.558 8.841 -4.032 1.00 0.00 C ATOM 273 C LYS A 20 -1.671 8.071 -5.344 1.00 0.00 C ATOM 274 O LYS A 20 -1.788 6.845 -5.346 1.00 0.00 O ATOM 275 CB LYS A 20 -2.903 9.486 -3.689 1.00 0.00 C ATOM 276 CG LYS A 20 -4.081 8.535 -3.806 1.00 0.00 C ATOM 277 CD LYS A 20 -5.371 9.279 -4.108 1.00 0.00 C ATOM 278 CE LYS A 20 -6.570 8.344 -4.095 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.679 8.851 -4.951 1.00 0.00 N ATOM 0 H LYS A 20 -0.773 10.758 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.286 8.141 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.861 9.875 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.067 10.337 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.886 7.808 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.192 7.975 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.517 10.070 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.295 9.761 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.265 7.357 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.926 8.225 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.568 8.386 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.773 9.879 -4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.471 8.642 -5.948 1.00 0.00 H new ATOM 293 N ARG A 21 -1.635 8.797 -6.456 1.00 0.00 N ATOM 294 CA ARG A 21 -1.734 8.181 -7.774 1.00 0.00 C ATOM 295 C ARG A 21 -0.516 7.307 -8.058 1.00 0.00 C ATOM 296 O ARG A 21 -0.650 6.148 -8.453 1.00 0.00 O ATOM 297 CB ARG A 21 -1.866 9.256 -8.854 1.00 0.00 C ATOM 298 CG ARG A 21 -2.484 8.748 -10.147 1.00 0.00 C ATOM 299 CD ARG A 21 -4.003 8.767 -10.083 1.00 0.00 C ATOM 300 NE ARG A 21 -4.609 8.365 -11.349 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.920 8.346 -11.564 1.00 0.00 C ATOM 302 NH1 ARG A 21 -6.757 8.706 -10.601 1.00 0.00 N ATOM 303 NH2 ARG A 21 -6.395 7.968 -12.743 1.00 0.00 N ATOM 0 H ARG A 21 -1.538 9.812 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.623 7.551 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.474 10.074 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.879 9.666 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.146 9.365 -10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.140 7.732 -10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.341 8.099 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.342 9.769 -9.821 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.992 8.083 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.395 8.998 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.763 8.691 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.754 7.691 -13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.402 7.954 -12.907 1.00 0.00 H new ATOM 317 N ILE A 22 0.671 7.870 -7.855 1.00 0.00 N ATOM 318 CA ILE A 22 1.911 7.142 -8.088 1.00 0.00 C ATOM 319 C ILE A 22 1.905 5.799 -7.366 1.00 0.00 C ATOM 320 O ILE A 22 2.252 4.769 -7.945 1.00 0.00 O ATOM 321 CB ILE A 22 3.136 7.954 -7.627 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.195 9.293 -8.365 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.414 7.160 -7.856 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.091 10.312 -7.697 1.00 0.00 C ATOM 0 H ILE A 22 0.799 8.828 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 22 1.980 6.974 -9.163 1.00 0.00 H new ATOM 0 HB ILE A 22 3.041 8.153 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.547 9.123 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.187 9.702 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.271 7.747 -7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.371 6.230 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.517 6.934 -8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.085 11.236 -8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.727 10.511 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.108 9.924 -7.645 1.00 0.00 H new ATOM 336 N TYR A 23 1.506 5.817 -6.099 1.00 0.00 N ATOM 337 CA TYR A 23 1.454 4.600 -5.297 1.00 0.00 C ATOM 338 C TYR A 23 0.385 3.646 -5.822 1.00 0.00 C ATOM 339 O TYR A 23 0.629 2.451 -5.987 1.00 0.00 O ATOM 340 CB TYR A 23 1.175 4.941 -3.832 1.00 0.00 C ATOM 341 CG TYR A 23 2.289 5.718 -3.168 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.620 5.380 -3.381 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.012 6.789 -2.328 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.642 6.086 -2.776 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.027 7.501 -1.719 1.00 0.00 C ATOM 346 CZ TYR A 23 4.340 7.146 -1.947 1.00 0.00 C ATOM 347 OH TYR A 23 5.354 7.853 -1.341 1.00 0.00 O ATOM 0 H TYR A 23 1.214 6.660 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 23 2.423 4.106 -5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.254 5.520 -3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.008 4.017 -3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.860 4.551 -4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.985 7.070 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.671 5.809 -2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.794 8.331 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 23 5.000 8.697 -0.990 1.00 0.00 H new ATOM 357 N THR A 24 -0.802 4.185 -6.083 1.00 0.00 N ATOM 358 CA THR A 24 -1.910 3.384 -6.589 1.00 0.00 C ATOM 359 C THR A 24 -1.457 2.476 -7.726 1.00 0.00 C ATOM 360 O THR A 24 -1.803 1.295 -7.765 1.00 0.00 O ATOM 361 CB THR A 24 -3.065 4.273 -7.085 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.630 5.000 -5.989 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.144 3.435 -7.755 1.00 0.00 C ATOM 0 H THR A 24 -1.021 5.173 -5.952 1.00 0.00 H new ATOM 0 HA THR A 24 -2.264 2.773 -5.759 1.00 0.00 H new ATOM 0 HB THR A 24 -2.665 4.974 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.082 5.791 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.949 4.085 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.717 2.906 -8.607 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.539 2.712 -7.041 1.00 0.00 H new ATOM 371 N ASP A 25 -0.683 3.034 -8.650 1.00 0.00 N ATOM 372 CA ASP A 25 -0.181 2.273 -9.788 1.00 0.00 C ATOM 373 C ASP A 25 0.883 1.273 -9.347 1.00 0.00 C ATOM 374 O ASP A 25 0.937 0.148 -9.845 1.00 0.00 O ATOM 375 CB ASP A 25 0.394 3.216 -10.846 1.00 0.00 C ATOM 376 CG ASP A 25 0.806 2.486 -12.109 1.00 0.00 C ATOM 377 OD1 ASP A 25 -0.060 2.281 -12.985 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.995 2.120 -12.223 1.00 0.00 O ATOM 0 H ASP A 25 -0.389 4.011 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.015 1.721 -10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.348 3.975 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.257 3.737 -10.433 1.00 0.00 H new ATOM 383 N TRP A 26 1.728 1.691 -8.412 1.00 0.00 N ATOM 384 CA TRP A 26 2.792 0.832 -7.905 1.00 0.00 C ATOM 385 C TRP A 26 2.229 -0.492 -7.399 1.00 0.00 C ATOM 386 O TRP A 26 2.748 -1.561 -7.720 1.00 0.00 O ATOM 387 CB TRP A 26 3.554 1.538 -6.782 1.00 0.00 C ATOM 388 CG TRP A 26 4.684 0.724 -6.228 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.913 0.537 -6.793 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.688 -0.013 -5.001 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.681 -0.272 -5.991 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.953 -0.622 -4.885 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.748 -0.216 -3.987 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.298 -1.420 -3.798 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.092 -1.008 -2.909 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.358 -1.602 -2.820 1.00 0.00 C ATOM 0 H TRP A 26 1.697 2.619 -7.990 1.00 0.00 H new ATOM 0 HA TRP A 26 3.478 0.624 -8.726 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.946 2.483 -7.157 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.860 1.778 -5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.234 0.963 -7.732 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.638 -0.565 -6.187 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.770 0.238 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.273 -1.879 -3.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.372 -1.172 -2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.597 -2.215 -1.963 1.00 0.00 H new ATOM 407 N ALA A 27 1.164 -0.414 -6.608 1.00 0.00 N ATOM 408 CA ALA A 27 0.530 -1.606 -6.061 1.00 0.00 C ATOM 409 C ALA A 27 -0.219 -2.376 -7.144 1.00 0.00 C ATOM 410 O ALA A 27 -0.149 -3.603 -7.207 1.00 0.00 O ATOM 411 CB ALA A 27 -0.415 -1.230 -4.929 1.00 0.00 C ATOM 0 H ALA A 27 0.722 0.463 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 27 1.312 -2.254 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.881 -2.131 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.145 -0.731 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.186 -0.559 -5.307 1.00 0.00 H new ATOM 417 N ASN A 28 -0.935 -1.647 -7.994 1.00 0.00 N ATOM 418 CA ASN A 28 -1.698 -2.262 -9.074 1.00 0.00 C ATOM 419 C ASN A 28 -0.865 -3.317 -9.795 1.00 0.00 C ATOM 420 O ASN A 28 -1.354 -4.404 -10.107 1.00 0.00 O ATOM 421 CB ASN A 28 -2.164 -1.197 -10.068 1.00 0.00 C ATOM 422 CG ASN A 28 -3.524 -0.629 -9.711 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.445 -0.633 -10.529 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.657 -0.137 -8.485 1.00 0.00 N ATOM 0 H ASN A 28 -1.003 -0.630 -7.956 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.571 -2.749 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.433 -0.389 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.205 -1.630 -11.068 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.549 0.258 -8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.867 -0.154 -7.840 1.00 0.00 H new ATOM 431 N HIS A 29 0.396 -2.990 -10.058 1.00 0.00 N ATOM 432 CA HIS A 29 1.298 -3.910 -10.742 1.00 0.00 C ATOM 433 C HIS A 29 1.346 -5.257 -10.027 1.00 0.00 C ATOM 434 O HIS A 29 1.207 -6.308 -10.652 1.00 0.00 O ATOM 435 CB HIS A 29 2.703 -3.313 -10.824 1.00 0.00 C ATOM 436 CG HIS A 29 3.765 -4.322 -11.140 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.600 -5.320 -12.076 1.00 0.00 N ATOM 438 CD2 HIS A 29 5.012 -4.481 -10.638 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.699 -6.051 -12.136 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.571 -5.562 -11.273 1.00 0.00 N ATOM 0 H HIS A 29 0.817 -2.095 -9.808 1.00 0.00 H new ATOM 0 HA HIS A 29 0.919 -4.068 -11.752 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.714 -2.535 -11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.941 -2.832 -9.875 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.480 -3.871 -9.879 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.857 -6.903 -12.781 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.508 -5.928 -11.105 1.00 0.00 H new ATOM 449 N TYR A 30 1.544 -5.217 -8.714 1.00 0.00 N ATOM 450 CA TYR A 30 1.613 -6.434 -7.914 1.00 0.00 C ATOM 451 C TYR A 30 0.271 -7.161 -7.910 1.00 0.00 C ATOM 452 O TYR A 30 0.200 -8.355 -7.619 1.00 0.00 O ATOM 453 CB TYR A 30 2.031 -6.104 -6.480 1.00 0.00 C ATOM 454 CG TYR A 30 3.441 -5.571 -6.368 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.537 -6.408 -6.535 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.678 -4.229 -6.095 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.828 -5.926 -6.433 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.965 -3.737 -5.992 1.00 0.00 C ATOM 459 CZ TYR A 30 6.036 -4.589 -6.162 1.00 0.00 C ATOM 460 OH TYR A 30 7.320 -4.104 -6.059 1.00 0.00 O ATOM 0 H TYR A 30 1.660 -4.355 -8.181 1.00 0.00 H new ATOM 0 HA TYR A 30 2.360 -7.090 -8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.340 -5.368 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.941 -7.002 -5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.377 -7.455 -6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.842 -3.559 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.669 -6.591 -6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.131 -2.691 -5.780 1.00 0.00 H new ATOM 0 HH TYR A 30 7.333 -3.339 -5.447 1.00 0.00 H new ATOM 470 N LEU A 31 -0.790 -6.431 -8.236 1.00 0.00 N ATOM 471 CA LEU A 31 -2.131 -7.004 -8.272 1.00 0.00 C ATOM 472 C LEU A 31 -2.414 -7.642 -9.628 1.00 0.00 C ATOM 473 O LEU A 31 -3.029 -8.705 -9.708 1.00 0.00 O ATOM 474 CB LEU A 31 -3.175 -5.927 -7.974 1.00 0.00 C ATOM 475 CG LEU A 31 -3.303 -5.502 -6.510 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.431 -4.497 -6.343 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.530 -6.715 -5.621 1.00 0.00 C ATOM 0 H LEU A 31 -0.748 -5.441 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.189 -7.779 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.937 -5.045 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.146 -6.287 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.371 -5.024 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.507 -4.206 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.226 -3.615 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.370 -4.948 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.619 -6.394 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.446 -7.222 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.688 -7.400 -5.718 1.00 0.00 H new ATOM 489 N ALA A 32 -1.960 -6.987 -10.691 1.00 0.00 N ATOM 490 CA ALA A 32 -2.161 -7.493 -12.043 1.00 0.00 C ATOM 491 C ALA A 32 -1.183 -8.620 -12.359 1.00 0.00 C ATOM 492 O ALA A 32 -1.468 -9.491 -13.181 1.00 0.00 O ATOM 493 CB ALA A 32 -2.015 -6.366 -13.055 1.00 0.00 C ATOM 0 H ALA A 32 -1.450 -6.105 -10.642 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.172 -7.896 -12.107 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.168 -6.758 -14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.757 -5.594 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.016 -5.937 -12.980 1.00 0.00 H new ATOM 499 N LYS A 33 -0.028 -8.596 -11.702 1.00 0.00 N ATOM 500 CA LYS A 33 0.992 -9.616 -11.912 1.00 0.00 C ATOM 501 C LYS A 33 0.552 -10.955 -11.329 1.00 0.00 C ATOM 502 O LYS A 33 0.845 -12.012 -11.888 1.00 0.00 O ATOM 503 CB LYS A 33 2.315 -9.182 -11.276 1.00 0.00 C ATOM 504 CG LYS A 33 2.376 -9.420 -9.777 1.00 0.00 C ATOM 505 CD LYS A 33 3.772 -9.175 -9.230 1.00 0.00 C ATOM 506 CE LYS A 33 4.700 -10.344 -9.526 1.00 0.00 C ATOM 507 NZ LYS A 33 4.372 -11.536 -8.697 1.00 0.00 N ATOM 0 H LYS A 33 0.225 -7.881 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 33 1.133 -9.736 -12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.133 -9.721 -11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.473 -8.122 -11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.667 -8.763 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.073 -10.444 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.181 -8.265 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.719 -9.015 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.629 -10.605 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.732 -10.045 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.228 -11.862 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.645 -11.283 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.014 -12.297 -9.309 1.00 0.00 H new ATOM 521 N SER A 34 -0.156 -10.902 -10.205 1.00 0.00 N ATOM 522 CA SER A 34 -0.635 -12.111 -9.546 1.00 0.00 C ATOM 523 C SER A 34 -2.043 -12.465 -10.017 1.00 0.00 C ATOM 524 O SER A 34 -2.792 -13.143 -9.316 1.00 0.00 O ATOM 525 CB SER A 34 -0.624 -11.928 -8.027 1.00 0.00 C ATOM 526 OG SER A 34 0.644 -12.252 -7.484 1.00 0.00 O ATOM 0 H SER A 34 -0.410 -10.035 -9.732 1.00 0.00 H new ATOM 0 HA SER A 34 0.035 -12.929 -9.811 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.876 -10.897 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.389 -12.560 -7.576 1.00 0.00 H new ATOM 0 HG SER A 34 0.626 -12.125 -6.512 1.00 0.00 H new ATOM 532 N GLY A 35 -2.395 -12.000 -11.212 1.00 0.00 N ATOM 533 CA GLY A 35 -3.711 -12.276 -11.757 1.00 0.00 C ATOM 534 C GLY A 35 -4.823 -11.951 -10.780 1.00 0.00 C ATOM 535 O GLY A 35 -5.470 -12.851 -10.243 1.00 0.00 O ATOM 0 H GLY A 35 -1.792 -11.437 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.852 -11.696 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.772 -13.328 -12.035 1.00 0.00 H new ATOM 539 N HIS A 36 -5.047 -10.662 -10.547 1.00 0.00 N ATOM 540 CA HIS A 36 -6.088 -10.220 -9.627 1.00 0.00 C ATOM 541 C HIS A 36 -7.236 -9.557 -10.383 1.00 0.00 C ATOM 542 O HIS A 36 -7.021 -8.658 -11.196 1.00 0.00 O ATOM 543 CB HIS A 36 -5.511 -9.248 -8.598 1.00 0.00 C ATOM 544 CG HIS A 36 -6.316 -9.160 -7.339 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.159 -8.106 -7.056 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.405 -10.004 -6.284 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.731 -8.304 -5.882 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.291 -9.450 -5.392 1.00 0.00 N ATOM 0 H HIS A 36 -4.521 -9.905 -10.983 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.476 -11.097 -9.109 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.495 -9.556 -8.349 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.443 -8.257 -9.046 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.878 -10.939 -6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.438 -7.642 -5.404 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.565 -9.857 -4.498 1.00 0.00 H new ATOM 557 N LYS A 37 -8.456 -10.008 -10.110 1.00 0.00 N ATOM 558 CA LYS A 37 -9.639 -9.459 -10.763 1.00 0.00 C ATOM 559 C LYS A 37 -10.119 -8.199 -10.049 1.00 0.00 C ATOM 560 O LYS A 37 -11.310 -8.044 -9.778 1.00 0.00 O ATOM 561 CB LYS A 37 -10.760 -10.500 -10.793 1.00 0.00 C ATOM 562 CG LYS A 37 -10.665 -11.462 -11.964 1.00 0.00 C ATOM 563 CD LYS A 37 -9.752 -12.636 -11.649 1.00 0.00 C ATOM 564 CE LYS A 37 -9.979 -13.792 -12.611 1.00 0.00 C ATOM 565 NZ LYS A 37 -9.653 -15.105 -11.987 1.00 0.00 N ATOM 0 H LYS A 37 -8.651 -10.753 -9.441 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.369 -9.195 -11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.741 -11.069 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.721 -9.986 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.660 -11.831 -12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.290 -10.934 -12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.712 -12.314 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.928 -12.972 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.019 -13.793 -12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.365 -13.650 -13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.821 -15.867 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.654 -15.113 -11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.256 -15.252 -11.153 1.00 0.00 H new ATOM 579 N ARG A 38 -9.186 -7.303 -9.748 1.00 0.00 N ATOM 580 CA ARG A 38 -9.515 -6.057 -9.066 1.00 0.00 C ATOM 581 C ARG A 38 -8.288 -5.156 -8.957 1.00 0.00 C ATOM 582 O ARG A 38 -7.153 -5.633 -8.947 1.00 0.00 O ATOM 583 CB ARG A 38 -10.073 -6.346 -7.671 1.00 0.00 C ATOM 584 CG ARG A 38 -10.355 -5.095 -6.856 1.00 0.00 C ATOM 585 CD ARG A 38 -10.849 -5.439 -5.459 1.00 0.00 C ATOM 586 NE ARG A 38 -12.070 -6.239 -5.492 1.00 0.00 N ATOM 587 CZ ARG A 38 -12.477 -7.001 -4.483 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.764 -7.064 -3.366 1.00 0.00 N ATOM 589 NH2 ARG A 38 -13.600 -7.700 -4.588 1.00 0.00 N ATOM 0 H ARG A 38 -8.196 -7.416 -9.965 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.273 -5.540 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.994 -6.920 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.364 -6.971 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.448 -4.494 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.101 -4.487 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.072 -5.985 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.033 -4.520 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.642 -6.211 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.901 -6.527 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.079 -7.650 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.152 -7.653 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.911 -8.285 -3.812 1.00 0.00 H new ATOM 603 N LEU A 39 -8.524 -3.851 -8.876 1.00 0.00 N ATOM 604 CA LEU A 39 -7.439 -2.882 -8.769 1.00 0.00 C ATOM 605 C LEU A 39 -7.716 -1.874 -7.658 1.00 0.00 C ATOM 606 O LEU A 39 -8.757 -1.931 -7.002 1.00 0.00 O ATOM 607 CB LEU A 39 -7.247 -2.152 -10.099 1.00 0.00 C ATOM 608 CG LEU A 39 -6.643 -2.977 -11.236 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.412 -2.107 -12.462 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.342 -3.629 -10.790 1.00 0.00 C ATOM 0 H LEU A 39 -9.457 -3.440 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.525 -3.423 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.216 -1.774 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.608 -1.286 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.348 -3.765 -11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.982 -2.711 -13.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.362 -1.688 -12.795 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.727 -1.298 -12.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.927 -4.212 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.630 -2.857 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.536 -4.285 -9.942 1.00 0.00 H new ATOM 622 N ILE A 40 -6.781 -0.953 -7.455 1.00 0.00 N ATOM 623 CA ILE A 40 -6.927 0.069 -6.427 1.00 0.00 C ATOM 624 C ILE A 40 -7.369 1.398 -7.031 1.00 0.00 C ATOM 625 O ILE A 40 -6.636 2.013 -7.805 1.00 0.00 O ATOM 626 CB ILE A 40 -5.612 0.282 -5.653 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.245 -0.981 -4.871 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.735 1.474 -4.717 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.854 -0.942 -4.279 1.00 0.00 C ATOM 0 H ILE A 40 -5.914 -0.894 -7.989 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.692 -0.286 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.816 0.488 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.969 -1.125 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.326 -1.844 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.798 1.611 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.955 2.371 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.541 1.296 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.662 -1.869 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.121 -0.829 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.774 -0.099 -3.592 1.00 0.00 H new ATOM 641 N ARG A 41 -8.570 1.835 -6.670 1.00 0.00 N ATOM 642 CA ARG A 41 -9.110 3.092 -7.175 1.00 0.00 C ATOM 643 C ARG A 41 -8.704 4.258 -6.279 1.00 0.00 C ATOM 644 O ARG A 41 -8.037 5.192 -6.723 1.00 0.00 O ATOM 645 CB ARG A 41 -10.635 3.015 -7.271 1.00 0.00 C ATOM 646 CG ARG A 41 -11.133 2.383 -8.560 1.00 0.00 C ATOM 647 CD ARG A 41 -12.651 2.290 -8.585 1.00 0.00 C ATOM 648 NE ARG A 41 -13.150 1.251 -7.687 1.00 0.00 N ATOM 649 CZ ARG A 41 -14.430 0.906 -7.603 1.00 0.00 C ATOM 650 NH1 ARG A 41 -15.335 1.514 -8.358 1.00 0.00 N ATOM 651 NH2 ARG A 41 -14.807 -0.049 -6.762 1.00 0.00 N ATOM 0 H ARG A 41 -9.188 1.337 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.698 3.261 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.015 2.442 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.047 4.021 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.789 2.971 -9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.705 1.386 -8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.078 3.251 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.985 2.082 -9.602 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.479 0.764 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.049 2.249 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.317 1.247 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.114 -0.519 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.790 -0.313 -6.698 1.00 0.00 H new ATOM 665 N ASP A 42 -9.111 4.196 -5.016 1.00 0.00 N ATOM 666 CA ASP A 42 -8.790 5.246 -4.057 1.00 0.00 C ATOM 667 C ASP A 42 -7.860 4.721 -2.968 1.00 0.00 C ATOM 668 O ASP A 42 -8.303 4.083 -2.012 1.00 0.00 O ATOM 669 CB ASP A 42 -10.069 5.802 -3.429 1.00 0.00 C ATOM 670 CG ASP A 42 -10.642 6.964 -4.215 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.131 8.093 -4.061 1.00 0.00 O ATOM 672 OD2 ASP A 42 -11.603 6.745 -4.983 1.00 0.00 O ATOM 0 H ASP A 42 -9.664 3.429 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.279 6.047 -4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.813 5.008 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.859 6.125 -2.409 1.00 0.00 H new ATOM 677 N LEU A 43 -6.568 4.993 -3.118 1.00 0.00 N ATOM 678 CA LEU A 43 -5.574 4.547 -2.148 1.00 0.00 C ATOM 679 C LEU A 43 -6.089 4.720 -0.722 1.00 0.00 C ATOM 680 O LEU A 43 -5.867 3.866 0.135 1.00 0.00 O ATOM 681 CB LEU A 43 -4.270 5.325 -2.330 1.00 0.00 C ATOM 682 CG LEU A 43 -3.007 4.653 -1.790 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.698 3.388 -2.574 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.828 5.615 -1.840 1.00 0.00 C ATOM 0 H LEU A 43 -6.184 5.520 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.384 3.488 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.129 5.516 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.378 6.295 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.182 4.377 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.796 2.924 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.533 2.693 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.543 3.639 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.938 5.120 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.652 5.922 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.049 6.493 -1.233 1.00 0.00 H new ATOM 696 N GLN A 44 -6.777 5.831 -0.479 1.00 0.00 N ATOM 697 CA GLN A 44 -7.324 6.115 0.843 1.00 0.00 C ATOM 698 C GLN A 44 -8.441 5.136 1.192 1.00 0.00 C ATOM 699 O GLN A 44 -8.592 4.740 2.347 1.00 0.00 O ATOM 700 CB GLN A 44 -7.851 7.550 0.902 1.00 0.00 C ATOM 701 CG GLN A 44 -6.753 8.601 0.920 1.00 0.00 C ATOM 702 CD GLN A 44 -7.182 9.904 0.273 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.464 9.952 -0.924 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.232 10.969 1.064 1.00 0.00 N ATOM 0 H GLN A 44 -6.969 6.548 -1.179 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.523 5.999 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.497 7.726 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.468 7.665 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.455 8.792 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.876 8.214 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.989 10.883 2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.513 11.873 0.685 1.00 0.00 H new ATOM 713 N GLN A 45 -9.219 4.751 0.186 1.00 0.00 N ATOM 714 CA GLN A 45 -10.322 3.819 0.388 1.00 0.00 C ATOM 715 C GLN A 45 -9.909 2.398 0.019 1.00 0.00 C ATOM 716 O GLN A 45 -10.730 1.481 0.027 1.00 0.00 O ATOM 717 CB GLN A 45 -11.534 4.243 -0.444 1.00 0.00 C ATOM 718 CG GLN A 45 -12.348 5.359 0.191 1.00 0.00 C ATOM 719 CD GLN A 45 -13.790 5.368 -0.275 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.406 4.315 -0.448 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.339 6.560 -0.482 1.00 0.00 N ATOM 0 H GLN A 45 -9.106 5.070 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.591 3.837 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.194 4.567 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.178 3.378 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.321 5.251 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.888 6.319 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.793 7.407 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.307 6.628 -0.797 1.00 0.00 H new ATOM 730 N ASP A 46 -8.633 2.224 -0.305 1.00 0.00 N ATOM 731 CA ASP A 46 -8.110 0.914 -0.676 1.00 0.00 C ATOM 732 C ASP A 46 -7.502 0.209 0.532 1.00 0.00 C ATOM 733 O ASP A 46 -7.512 -1.019 0.617 1.00 0.00 O ATOM 734 CB ASP A 46 -7.062 1.055 -1.781 1.00 0.00 C ATOM 735 CG ASP A 46 -6.002 -0.028 -1.715 1.00 0.00 C ATOM 736 OD1 ASP A 46 -6.369 -1.221 -1.768 1.00 0.00 O ATOM 737 OD2 ASP A 46 -4.807 0.317 -1.612 1.00 0.00 O ATOM 0 H ASP A 46 -7.941 2.973 -0.318 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.939 0.311 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.555 1.018 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.585 2.032 -1.703 1.00 0.00 H new ATOM 742 N VAL A 47 -6.972 0.994 1.464 1.00 0.00 N ATOM 743 CA VAL A 47 -6.359 0.445 2.668 1.00 0.00 C ATOM 744 C VAL A 47 -7.227 0.707 3.894 1.00 0.00 C ATOM 745 O VAL A 47 -6.718 0.904 4.999 1.00 0.00 O ATOM 746 CB VAL A 47 -4.959 1.041 2.907 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.059 0.786 1.707 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.057 2.529 3.204 1.00 0.00 C ATOM 0 H VAL A 47 -6.955 2.012 1.409 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.266 -0.630 2.514 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.517 0.550 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.074 1.214 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.963 -0.288 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.494 1.249 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.059 2.933 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.519 3.039 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.664 2.683 4.096 1.00 0.00 H new ATOM 758 N THR A 48 -8.541 0.707 3.694 1.00 0.00 N ATOM 759 CA THR A 48 -9.480 0.945 4.783 1.00 0.00 C ATOM 760 C THR A 48 -9.782 -0.343 5.540 1.00 0.00 C ATOM 761 O THR A 48 -9.957 -0.331 6.759 1.00 0.00 O ATOM 762 CB THR A 48 -10.801 1.544 4.264 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.162 0.931 3.021 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.677 3.048 4.077 1.00 0.00 C ATOM 0 H THR A 48 -8.979 0.545 2.787 1.00 0.00 H new ATOM 0 HA THR A 48 -9.007 1.658 5.459 1.00 0.00 H new ATOM 0 HB THR A 48 -11.578 1.349 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.931 1.531 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.622 3.448 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.432 3.514 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.888 3.261 3.356 1.00 0.00 H new ATOM 772 N ASP A 49 -9.840 -1.452 4.812 1.00 0.00 N ATOM 773 CA ASP A 49 -10.119 -2.750 5.416 1.00 0.00 C ATOM 774 C ASP A 49 -8.829 -3.532 5.641 1.00 0.00 C ATOM 775 O ASP A 49 -8.781 -4.446 6.464 1.00 0.00 O ATOM 776 CB ASP A 49 -11.070 -3.555 4.530 1.00 0.00 C ATOM 777 CG ASP A 49 -10.762 -3.395 3.054 1.00 0.00 C ATOM 778 OD1 ASP A 49 -9.835 -4.073 2.565 1.00 0.00 O ATOM 779 OD2 ASP A 49 -11.448 -2.591 2.388 1.00 0.00 O ATOM 0 H ASP A 49 -9.698 -1.479 3.802 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.593 -2.579 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.007 -4.609 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.095 -3.238 4.721 1.00 0.00 H new ATOM 784 N GLY A 50 -7.785 -3.168 4.903 1.00 0.00 N ATOM 785 CA GLY A 50 -6.509 -3.847 5.036 1.00 0.00 C ATOM 786 C GLY A 50 -6.390 -5.043 4.112 1.00 0.00 C ATOM 787 O GLY A 50 -5.285 -5.454 3.756 1.00 0.00 O ATOM 0 H GLY A 50 -7.800 -2.415 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.703 -3.145 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.381 -4.175 6.068 1.00 0.00 H new ATOM 791 N VAL A 51 -7.530 -5.606 3.725 1.00 0.00 N ATOM 792 CA VAL A 51 -7.549 -6.763 2.838 1.00 0.00 C ATOM 793 C VAL A 51 -6.771 -6.485 1.556 1.00 0.00 C ATOM 794 O VAL A 51 -5.697 -7.047 1.335 1.00 0.00 O ATOM 795 CB VAL A 51 -8.990 -7.167 2.473 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.988 -8.380 1.555 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.800 -7.441 3.731 1.00 0.00 C ATOM 0 H VAL A 51 -8.453 -5.280 4.012 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.075 -7.583 3.377 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.458 -6.339 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.014 -8.651 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.445 -8.143 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.503 -9.216 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.816 -7.725 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.336 -8.252 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.829 -6.543 4.348 1.00 0.00 H new ATOM 807 N LEU A 52 -7.318 -5.615 0.715 1.00 0.00 N ATOM 808 CA LEU A 52 -6.675 -5.262 -0.546 1.00 0.00 C ATOM 809 C LEU A 52 -5.220 -4.865 -0.322 1.00 0.00 C ATOM 810 O LEU A 52 -4.335 -5.250 -1.089 1.00 0.00 O ATOM 811 CB LEU A 52 -7.430 -4.116 -1.222 1.00 0.00 C ATOM 812 CG LEU A 52 -7.388 -4.094 -2.751 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.317 -3.020 -3.295 1.00 0.00 C ATOM 814 CD2 LEU A 52 -5.965 -3.870 -3.241 1.00 0.00 C ATOM 0 H LEU A 52 -8.205 -5.141 0.883 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.698 -6.137 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.473 -4.159 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.025 -3.173 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.730 -5.061 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.274 -3.019 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.338 -3.224 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.006 -2.045 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.953 -3.857 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.596 -2.917 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.325 -4.676 -2.881 1.00 0.00 H new ATOM 826 N LEU A 53 -4.977 -4.095 0.732 1.00 0.00 N ATOM 827 CA LEU A 53 -3.628 -3.647 1.059 1.00 0.00 C ATOM 828 C LEU A 53 -2.665 -4.828 1.130 1.00 0.00 C ATOM 829 O LEU A 53 -1.575 -4.787 0.560 1.00 0.00 O ATOM 830 CB LEU A 53 -3.627 -2.893 2.390 1.00 0.00 C ATOM 831 CG LEU A 53 -2.326 -2.946 3.191 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.161 -2.446 2.350 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.453 -2.130 4.469 1.00 0.00 C ATOM 0 H LEU A 53 -5.697 -3.767 1.376 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.294 -2.975 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.866 -1.848 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.429 -3.292 3.011 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.131 -3.983 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.243 -2.491 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.057 -3.072 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.347 -1.416 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.518 -2.179 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.672 -1.092 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.261 -2.533 5.080 1.00 0.00 H new ATOM 845 N ALA A 54 -3.076 -5.879 1.831 1.00 0.00 N ATOM 846 CA ALA A 54 -2.252 -7.073 1.973 1.00 0.00 C ATOM 847 C ALA A 54 -2.071 -7.777 0.633 1.00 0.00 C ATOM 848 O ALA A 54 -1.000 -8.307 0.340 1.00 0.00 O ATOM 849 CB ALA A 54 -2.867 -8.021 2.991 1.00 0.00 C ATOM 0 H ALA A 54 -3.975 -5.928 2.310 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.268 -6.766 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.241 -8.908 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.938 -7.521 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.863 -8.314 2.660 1.00 0.00 H new ATOM 855 N GLN A 55 -3.126 -7.779 -0.176 1.00 0.00 N ATOM 856 CA GLN A 55 -3.082 -8.420 -1.485 1.00 0.00 C ATOM 857 C GLN A 55 -1.835 -8.001 -2.256 1.00 0.00 C ATOM 858 O GLN A 55 -1.388 -8.705 -3.162 1.00 0.00 O ATOM 859 CB GLN A 55 -4.335 -8.070 -2.290 1.00 0.00 C ATOM 860 CG GLN A 55 -5.631 -8.465 -1.601 1.00 0.00 C ATOM 861 CD GLN A 55 -6.848 -8.249 -2.478 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.766 -9.070 -2.500 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.863 -7.140 -3.208 1.00 0.00 N ATOM 0 H GLN A 55 -4.020 -7.345 0.052 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.046 -9.499 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.347 -6.997 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.284 -8.565 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.579 -9.514 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.741 -7.886 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.081 -6.487 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.656 -6.941 -3.817 1.00 0.00 H new ATOM 872 N ILE A 56 -1.279 -6.851 -1.891 1.00 0.00 N ATOM 873 CA ILE A 56 -0.082 -6.339 -2.548 1.00 0.00 C ATOM 874 C ILE A 56 1.170 -6.669 -1.744 1.00 0.00 C ATOM 875 O ILE A 56 2.153 -7.174 -2.286 1.00 0.00 O ATOM 876 CB ILE A 56 -0.161 -4.815 -2.752 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.360 -4.458 -3.634 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.129 -4.295 -3.368 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.638 -4.239 -2.856 1.00 0.00 C ATOM 0 H ILE A 56 -1.638 -6.256 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.024 -6.825 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.294 -4.340 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.129 -3.555 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.518 -5.256 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.057 -3.216 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.965 -4.522 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.290 -4.774 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.445 -3.990 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.893 -5.148 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.498 -3.421 -2.150 1.00 0.00 H new ATOM 891 N ILE A 57 1.127 -6.381 -0.447 1.00 0.00 N ATOM 892 CA ILE A 57 2.258 -6.649 0.433 1.00 0.00 C ATOM 893 C ILE A 57 2.737 -8.090 0.288 1.00 0.00 C ATOM 894 O ILE A 57 3.929 -8.344 0.119 1.00 0.00 O ATOM 895 CB ILE A 57 1.899 -6.385 1.907 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.443 -4.936 2.091 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.090 -6.689 2.804 1.00 0.00 C ATOM 898 CD1 ILE A 57 0.883 -4.649 3.467 1.00 0.00 C ATOM 0 H ILE A 57 0.321 -5.962 0.017 1.00 0.00 H new ATOM 0 HA ILE A 57 3.058 -5.971 0.135 1.00 0.00 H new ATOM 0 HB ILE A 57 1.078 -7.044 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.287 -4.272 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.684 -4.705 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.821 -6.498 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.374 -7.735 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.929 -6.052 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.580 -3.604 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.019 -5.288 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.646 -4.848 4.219 1.00 0.00 H new ATOM 910 N GLN A 58 1.798 -9.029 0.355 1.00 0.00 N ATOM 911 CA GLN A 58 2.125 -10.445 0.230 1.00 0.00 C ATOM 912 C GLN A 58 2.848 -10.723 -1.083 1.00 0.00 C ATOM 913 O GLN A 58 3.645 -11.656 -1.179 1.00 0.00 O ATOM 914 CB GLN A 58 0.854 -11.292 0.316 1.00 0.00 C ATOM 915 CG GLN A 58 0.183 -11.246 1.679 1.00 0.00 C ATOM 916 CD GLN A 58 -1.173 -11.925 1.685 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.156 -11.369 2.175 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.232 -13.134 1.139 1.00 0.00 N ATOM 0 H GLN A 58 0.806 -8.835 0.495 1.00 0.00 H new ATOM 0 HA GLN A 58 2.789 -10.713 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.147 -10.949 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.100 -12.326 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.829 -11.726 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.066 -10.207 1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.392 -13.557 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.117 -13.640 1.114 1.00 0.00 H new ATOM 927 N VAL A 59 2.564 -9.907 -2.094 1.00 0.00 N ATOM 928 CA VAL A 59 3.189 -10.065 -3.402 1.00 0.00 C ATOM 929 C VAL A 59 4.594 -9.474 -3.415 1.00 0.00 C ATOM 930 O VAL A 59 5.582 -10.195 -3.553 1.00 0.00 O ATOM 931 CB VAL A 59 2.351 -9.396 -4.508 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.843 -9.823 -5.882 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.877 -9.728 -4.333 1.00 0.00 C ATOM 0 H VAL A 59 1.906 -9.130 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 59 3.248 -11.136 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 59 2.469 -8.315 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.239 -9.341 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.886 -9.530 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.757 -10.905 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.300 -9.247 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.738 -10.808 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.535 -9.367 -3.363 1.00 0.00 H new ATOM 943 N VAL A 60 4.676 -8.155 -3.271 1.00 0.00 N ATOM 944 CA VAL A 60 5.961 -7.465 -3.264 1.00 0.00 C ATOM 945 C VAL A 60 6.932 -8.121 -2.289 1.00 0.00 C ATOM 946 O VAL A 60 8.112 -8.290 -2.593 1.00 0.00 O ATOM 947 CB VAL A 60 5.798 -5.980 -2.890 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.078 -5.841 -1.557 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.154 -5.291 -2.847 1.00 0.00 C ATOM 0 H VAL A 60 3.868 -7.543 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 60 6.364 -7.535 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 60 5.192 -5.494 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.972 -4.785 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.091 -6.298 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.655 -6.340 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.021 -4.242 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.785 -5.777 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.628 -5.360 -3.826 1.00 0.00 H new ATOM 959 N ALA A 61 6.426 -8.489 -1.117 1.00 0.00 N ATOM 960 CA ALA A 61 7.248 -9.129 -0.097 1.00 0.00 C ATOM 961 C ALA A 61 7.361 -10.629 -0.345 1.00 0.00 C ATOM 962 O ALA A 61 8.186 -11.308 0.264 1.00 0.00 O ATOM 963 CB ALA A 61 6.675 -8.863 1.287 1.00 0.00 C ATOM 0 H ALA A 61 5.451 -8.355 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 61 8.249 -8.701 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.299 -9.347 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.652 -7.789 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.662 -9.262 1.344 1.00 0.00 H new ATOM 969 N ASN A 62 6.526 -11.140 -1.244 1.00 0.00 N ATOM 970 CA ASN A 62 6.531 -12.562 -1.571 1.00 0.00 C ATOM 971 C ASN A 62 6.306 -13.409 -0.323 1.00 0.00 C ATOM 972 O ASN A 62 6.951 -14.440 -0.136 1.00 0.00 O ATOM 973 CB ASN A 62 7.856 -12.949 -2.232 1.00 0.00 C ATOM 974 CG ASN A 62 7.814 -14.337 -2.842 1.00 0.00 C ATOM 975 OD1 ASN A 62 6.741 -14.876 -3.111 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.986 -14.921 -3.062 1.00 0.00 N ATOM 0 H ASN A 62 5.838 -10.591 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 62 5.715 -12.752 -2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.098 -12.222 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.655 -12.904 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.022 -15.855 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.851 -14.436 -2.823 1.00 0.00 H new ATOM 983 N GLU A 63 5.387 -12.965 0.529 1.00 0.00 N ATOM 984 CA GLU A 63 5.077 -13.683 1.760 1.00 0.00 C ATOM 985 C GLU A 63 3.575 -13.682 2.027 1.00 0.00 C ATOM 986 O GLU A 63 2.836 -12.862 1.482 1.00 0.00 O ATOM 987 CB GLU A 63 5.817 -13.055 2.943 1.00 0.00 C ATOM 988 CG GLU A 63 6.189 -14.052 4.027 1.00 0.00 C ATOM 989 CD GLU A 63 7.556 -14.670 3.806 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.177 -14.380 2.763 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.004 -15.444 4.678 1.00 0.00 O ATOM 0 H GLU A 63 4.845 -12.112 0.390 1.00 0.00 H new ATOM 0 HA GLU A 63 5.407 -14.715 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.724 -12.572 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.193 -12.274 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.172 -13.553 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.439 -14.842 4.062 1.00 0.00 H new ATOM 998 N LYS A 64 3.129 -14.608 2.869 1.00 0.00 N ATOM 999 CA LYS A 64 1.716 -14.716 3.211 1.00 0.00 C ATOM 1000 C LYS A 64 1.474 -14.307 4.660 1.00 0.00 C ATOM 1001 O LYS A 64 2.165 -14.769 5.569 1.00 0.00 O ATOM 1002 CB LYS A 64 1.223 -16.147 2.984 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.263 -16.238 2.684 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.846 -17.562 3.150 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.079 -17.570 4.653 1.00 0.00 C ATOM 1006 NZ LYS A 64 -1.412 -18.932 5.155 1.00 0.00 N ATOM 0 H LYS A 64 3.727 -15.295 3.328 1.00 0.00 H new ATOM 0 HA LYS A 64 1.158 -14.039 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.780 -16.587 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.444 -16.743 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.785 -15.417 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.426 -16.125 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.788 -17.748 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.170 -18.373 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.187 -17.204 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.890 -16.884 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.854 -18.858 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.072 -19.393 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.542 -19.498 5.226 1.00 0.00 H new ATOM 1020 N ILE A 65 0.488 -13.441 4.869 1.00 0.00 N ATOM 1021 CA ILE A 65 0.154 -12.973 6.209 1.00 0.00 C ATOM 1022 C ILE A 65 -1.016 -13.760 6.790 1.00 0.00 C ATOM 1023 O ILE A 65 -2.118 -13.747 6.243 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.199 -11.474 6.210 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.803 -10.691 5.359 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.228 -10.938 7.633 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.335 -9.297 5.004 1.00 0.00 C ATOM 0 H ILE A 65 -0.093 -13.049 4.128 1.00 0.00 H new ATOM 0 HA ILE A 65 1.038 -13.130 6.828 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.191 -11.349 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.748 -10.622 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.998 -11.245 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.479 -9.877 7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.977 -11.480 8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.751 -11.072 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.095 -8.801 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.595 -9.358 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.167 -8.726 5.917 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.767 -14.443 7.903 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.801 -15.235 8.559 1.00 0.00 C ATOM 1041 C GLU A 66 -2.597 -14.383 9.544 1.00 0.00 C ATOM 1042 O GLU A 66 -3.696 -14.754 9.955 1.00 0.00 O ATOM 1043 CB GLU A 66 -1.176 -16.427 9.288 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.368 -17.339 8.381 1.00 0.00 C ATOM 1045 CD GLU A 66 -0.124 -18.705 8.994 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -1.037 -19.223 9.670 1.00 0.00 O ATOM 1047 OE2 GLU A 66 0.980 -19.255 8.797 1.00 0.00 O ATOM 0 H GLU A 66 0.140 -14.464 8.369 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.482 -15.603 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.531 -16.057 10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.967 -17.008 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.892 -17.459 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.590 -16.868 8.159 1.00 0.00 H new ATOM 1054 N ASP A 67 -2.032 -13.240 9.918 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.688 -12.334 10.854 1.00 0.00 C ATOM 1056 C ASP A 67 -3.630 -11.384 10.121 1.00 0.00 C ATOM 1057 O ASP A 67 -3.794 -10.230 10.518 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.646 -11.535 11.639 1.00 0.00 C ATOM 1059 CG ASP A 67 -2.134 -11.146 13.020 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -3.215 -11.624 13.423 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -1.436 -10.362 13.697 1.00 0.00 O ATOM 0 H ASP A 67 -1.122 -12.919 9.588 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.275 -12.933 11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.734 -12.125 11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.387 -10.635 11.081 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.243 -11.877 9.051 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.168 -11.071 8.263 1.00 0.00 C ATOM 1068 C ILE A 68 -6.588 -11.619 8.353 1.00 0.00 C ATOM 1069 O ILE A 68 -6.819 -12.810 8.146 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.745 -11.013 6.784 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.329 -10.447 6.658 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.730 -10.174 5.983 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.208 -9.012 7.122 1.00 0.00 C ATOM 0 H ILE A 68 -4.116 -12.830 8.709 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.142 -10.064 8.679 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.749 -12.026 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.646 -11.067 7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.012 -10.512 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.417 -10.143 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.724 -10.616 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.756 -9.161 6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.177 -8.677 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.866 -8.380 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.494 -8.944 8.172 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.538 -10.741 8.660 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.937 -11.137 8.776 1.00 0.00 C ATOM 1087 C ASN A 69 -9.479 -11.616 7.433 1.00 0.00 C ATOM 1088 O ASN A 69 -9.730 -12.804 7.241 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.778 -9.968 9.291 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.244 -10.329 9.435 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.584 -11.436 9.852 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -12.120 -9.394 9.087 1.00 0.00 N ATOM 0 H ASN A 69 -7.364 -9.751 8.833 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.999 -11.961 9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.390 -9.643 10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.680 -9.125 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.120 -9.580 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.793 -8.490 8.746 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.658 -10.680 6.505 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.169 -11.025 5.192 1.00 0.00 C ATOM 1101 C GLY A 70 -11.606 -10.585 4.995 1.00 0.00 C ATOM 1102 O GLY A 70 -11.979 -10.124 3.915 1.00 0.00 O ATOM 0 H GLY A 70 -9.458 -9.689 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.543 -10.563 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.100 -12.104 5.051 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.415 -10.730 6.038 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.821 -10.346 5.974 1.00 0.00 C ATOM 1108 C CYS A 71 -14.221 -9.539 7.205 1.00 0.00 C ATOM 1109 O CYS A 71 -14.892 -10.034 8.111 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.705 -11.588 5.854 1.00 0.00 C ATOM 1111 SG CYS A 71 -16.399 -11.240 5.327 1.00 0.00 S ATOM 0 H CYS A 71 -12.122 -11.110 6.938 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.962 -9.722 5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.249 -12.278 5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.733 -12.096 6.818 1.00 0.00 H new ATOM 0 HG CYS A 71 -17.068 -12.352 5.253 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.798 -8.267 7.242 1.00 0.00 N ATOM 1118 CA PRO A 72 -14.100 -7.365 8.358 1.00 0.00 C ATOM 1119 C PRO A 72 -15.574 -6.979 8.410 1.00 0.00 C ATOM 1120 O PRO A 72 -16.201 -6.742 7.377 1.00 0.00 O ATOM 1121 CB PRO A 72 -13.236 -6.136 8.063 1.00 0.00 C ATOM 1122 CG PRO A 72 -13.035 -6.159 6.588 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.994 -7.611 6.198 1.00 0.00 C ATOM 0 HA PRO A 72 -13.894 -7.828 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.731 -5.218 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.285 -6.185 8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.845 -5.640 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.109 -5.655 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.415 -7.773 5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.973 -7.993 6.177 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.123 -6.919 9.618 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.524 -6.561 9.806 1.00 0.00 C ATOM 1133 C LYS A 73 -17.670 -5.470 10.863 1.00 0.00 C ATOM 1134 O LYS A 73 -18.522 -4.591 10.747 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.336 -7.792 10.213 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.575 -8.767 9.073 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.822 -8.408 8.283 1.00 0.00 C ATOM 1138 CE LYS A 73 -20.187 -9.501 7.291 1.00 0.00 C ATOM 1139 NZ LYS A 73 -20.534 -10.778 7.974 1.00 0.00 N ATOM 0 H LYS A 73 -15.618 -7.114 10.483 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.905 -6.178 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.816 -8.309 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.298 -7.467 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.711 -8.770 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.674 -9.777 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.654 -8.245 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.659 -7.471 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.031 -9.173 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.351 -9.668 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.088 -11.377 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.662 -11.275 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.095 -10.575 8.826 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.831 -5.534 11.892 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.866 -4.551 12.968 1.00 0.00 C ATOM 1155 C ASN A 74 -15.944 -3.374 12.662 1.00 0.00 C ATOM 1156 O ASN A 74 -15.117 -3.441 11.752 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.459 -5.200 14.293 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.644 -5.783 15.039 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.454 -6.512 14.467 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.750 -5.462 16.323 1.00 0.00 N ATOM 0 H ASN A 74 -16.119 -6.256 12.003 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.887 -4.178 13.051 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.731 -5.988 14.100 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.966 -4.458 14.922 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.527 -5.823 16.877 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.055 -4.854 16.756 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.093 -2.298 13.427 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.275 -1.107 13.237 1.00 0.00 C ATOM 1169 C ARG A 75 -13.831 -1.365 13.659 1.00 0.00 C ATOM 1170 O ARG A 75 -12.906 -0.712 13.177 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.849 0.065 14.036 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.961 -0.211 15.526 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.687 0.176 16.262 1.00 0.00 C ATOM 1174 NE ARG A 75 -14.854 0.122 17.712 1.00 0.00 N ATOM 1175 CZ ARG A 75 -15.542 1.021 18.406 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -16.125 2.038 17.786 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -15.649 0.904 19.723 1.00 0.00 N ATOM 0 H ARG A 75 -16.773 -2.227 14.184 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.286 -0.855 12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.219 0.941 13.884 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.836 0.311 13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.803 0.345 15.938 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.168 -1.269 15.687 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.879 -0.493 15.965 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.391 1.183 15.969 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.418 -0.648 18.219 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.046 2.131 16.773 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.653 2.727 18.322 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.203 0.123 20.204 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.178 1.595 20.255 1.00 0.00 H new ATOM 1191 N SER A 76 -13.647 -2.322 14.563 1.00 0.00 N ATOM 1192 CA SER A 76 -12.317 -2.665 15.054 1.00 0.00 C ATOM 1193 C SER A 76 -11.694 -3.771 14.208 1.00 0.00 C ATOM 1194 O SER A 76 -10.515 -3.710 13.859 1.00 0.00 O ATOM 1195 CB SER A 76 -12.388 -3.105 16.517 1.00 0.00 C ATOM 1196 OG SER A 76 -13.373 -4.107 16.701 1.00 0.00 O ATOM 0 H SER A 76 -14.402 -2.874 14.970 1.00 0.00 H new ATOM 0 HA SER A 76 -11.689 -1.777 14.979 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.416 -3.484 16.834 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.616 -2.246 17.148 1.00 0.00 H new ATOM 0 HG SER A 76 -13.397 -4.372 17.644 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.495 -4.780 13.882 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.022 -5.901 13.078 1.00 0.00 C ATOM 1204 C GLN A 77 -11.125 -5.417 11.943 1.00 0.00 C ATOM 1205 O GLN A 77 -10.154 -6.080 11.580 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.207 -6.683 12.509 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.687 -7.805 13.415 1.00 0.00 C ATOM 1208 CD GLN A 77 -14.850 -8.576 12.824 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -15.966 -8.064 12.730 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -14.595 -9.815 12.420 1.00 0.00 N ATOM 0 H GLN A 77 -13.474 -4.844 14.162 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.438 -6.558 13.723 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.033 -5.995 12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.925 -7.103 11.543 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.861 -8.491 13.606 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.984 -7.388 14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.655 -10.200 12.517 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -15.339 -10.382 12.013 1.00 0.00 H new ATOM 1219 N MET A 78 -11.458 -4.256 11.387 1.00 0.00 N ATOM 1220 CA MET A 78 -10.681 -3.683 10.294 1.00 0.00 C ATOM 1221 C MET A 78 -9.288 -3.283 10.768 1.00 0.00 C ATOM 1222 O MET A 78 -8.303 -3.461 10.050 1.00 0.00 O ATOM 1223 CB MET A 78 -11.403 -2.467 9.710 1.00 0.00 C ATOM 1224 CG MET A 78 -12.605 -2.827 8.852 1.00 0.00 C ATOM 1225 SD MET A 78 -13.641 -1.401 8.473 1.00 0.00 S ATOM 1226 CE MET A 78 -15.274 -2.095 8.712 1.00 0.00 C ATOM 0 H MET A 78 -12.259 -3.695 11.675 1.00 0.00 H new ATOM 0 HA MET A 78 -10.577 -4.442 9.519 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.730 -1.822 10.526 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.699 -1.890 9.110 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.260 -3.278 7.922 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.203 -3.578 9.368 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.979 -1.605 8.040 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.250 -3.163 8.497 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.588 -1.939 9.744 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.213 -2.742 11.979 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.940 -2.318 12.548 1.00 0.00 C ATOM 1238 C ILE A 79 -6.902 -3.433 12.467 1.00 0.00 C ATOM 1239 O ILE A 79 -5.826 -3.251 11.898 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.096 -1.884 14.018 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.093 -0.728 14.127 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.748 -1.485 14.599 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.537 0.596 13.654 1.00 0.00 C ATOM 0 H ILE A 79 -10.019 -2.587 12.585 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.601 -1.465 11.960 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.481 -2.727 14.592 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.981 -0.969 13.543 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.411 -0.629 15.165 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.875 -1.181 15.638 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.065 -2.333 14.550 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.336 -0.654 14.026 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.298 1.369 13.760 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.666 0.860 14.254 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.246 0.515 12.607 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.235 -4.586 13.038 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.332 -5.731 13.029 1.00 0.00 C ATOM 1257 C GLU A 80 -5.695 -5.910 11.654 1.00 0.00 C ATOM 1258 O GLU A 80 -4.472 -5.966 11.527 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.083 -7.004 13.424 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.390 -7.093 14.910 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.795 -8.489 15.339 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -6.901 -9.283 15.698 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -9.008 -8.788 15.317 1.00 0.00 O ATOM 0 H GLU A 80 -8.123 -4.752 13.512 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.541 -5.544 13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.017 -7.053 12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.491 -7.871 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.513 -6.783 15.478 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.191 -6.395 15.154 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.533 -5.999 10.626 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.052 -6.173 9.260 1.00 0.00 C ATOM 1272 C ASN A 81 -4.816 -5.317 9.006 1.00 0.00 C ATOM 1273 O ASN A 81 -3.710 -5.836 8.852 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.152 -5.810 8.260 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.337 -6.753 8.337 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.591 -7.366 9.374 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.070 -6.873 7.236 1.00 0.00 N ATOM 0 H ASN A 81 -7.548 -5.954 10.713 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.780 -7.220 9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.489 -4.791 8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.742 -5.828 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.880 -7.493 7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.823 -6.346 6.399 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.010 -4.003 8.964 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.911 -3.075 8.730 1.00 0.00 C ATOM 1286 C ILE A 82 -2.779 -3.302 9.726 1.00 0.00 C ATOM 1287 O ILE A 82 -1.604 -3.306 9.356 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.379 -1.611 8.827 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.451 -1.324 7.773 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.199 -0.665 8.662 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.411 -0.226 8.172 1.00 0.00 C ATOM 0 H ILE A 82 -5.919 -3.557 9.089 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.547 -3.265 7.720 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.814 -1.449 9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.965 -1.048 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.015 -2.237 7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.546 0.366 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.467 -0.856 9.447 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.737 -0.826 7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.143 -0.076 7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.925 -0.508 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.858 0.699 8.335 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.140 -3.493 10.990 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.154 -3.725 12.040 1.00 0.00 C ATOM 1305 C ASP A 83 -1.177 -4.824 11.635 1.00 0.00 C ATOM 1306 O ASP A 83 0.035 -4.612 11.612 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.851 -4.101 13.348 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.065 -3.664 14.569 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.618 -2.499 14.600 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.896 -4.488 15.493 1.00 0.00 O ATOM 0 H ASP A 83 -4.108 -3.492 11.313 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.593 -2.802 12.188 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.840 -3.644 13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.998 -5.181 13.381 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.712 -5.998 11.317 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.888 -7.129 10.913 1.00 0.00 C ATOM 1317 C ALA A 84 0.112 -6.723 9.836 1.00 0.00 C ATOM 1318 O ALA A 84 1.295 -7.058 9.915 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.764 -8.271 10.418 1.00 0.00 C ATOM 0 H ALA A 84 -2.714 -6.190 11.332 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.327 -7.467 11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.135 -9.109 10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.435 -8.587 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.351 -7.935 9.563 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.369 -5.999 8.831 1.00 0.00 N ATOM 1326 CA CYS A 85 0.483 -5.548 7.737 1.00 0.00 C ATOM 1327 C CYS A 85 1.638 -4.701 8.261 1.00 0.00 C ATOM 1328 O CYS A 85 2.769 -4.810 7.784 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.334 -4.746 6.723 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.695 -5.671 5.975 1.00 0.00 S ATOM 0 H CYS A 85 -1.345 -5.712 8.751 1.00 0.00 H new ATOM 0 HA CYS A 85 0.896 -6.429 7.245 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.738 -3.862 7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.330 -4.395 5.933 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.610 -5.897 6.871 1.00 0.00 H new ATOM 1336 N LEU A 86 1.347 -3.856 9.243 1.00 0.00 N ATOM 1337 CA LEU A 86 2.361 -2.988 9.832 1.00 0.00 C ATOM 1338 C LEU A 86 3.409 -3.805 10.580 1.00 0.00 C ATOM 1339 O LEU A 86 4.609 -3.571 10.440 1.00 0.00 O ATOM 1340 CB LEU A 86 1.710 -1.981 10.782 1.00 0.00 C ATOM 1341 CG LEU A 86 0.618 -1.098 10.178 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.128 -0.347 11.271 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.215 -0.124 9.172 1.00 0.00 C ATOM 0 H LEU A 86 0.417 -3.753 9.649 1.00 0.00 H new ATOM 0 HA LEU A 86 2.856 -2.449 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.283 -2.528 11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.490 -1.335 11.185 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.093 -1.739 9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.901 0.276 10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.589 -1.061 11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.571 0.283 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.423 0.496 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.947 0.511 9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.702 -0.681 8.372 1.00 0.00 H new ATOM 1355 N ASN A 87 2.948 -4.766 11.373 1.00 0.00 N ATOM 1356 CA ASN A 87 3.846 -5.620 12.142 1.00 0.00 C ATOM 1357 C ASN A 87 4.650 -6.533 11.221 1.00 0.00 C ATOM 1358 O ASN A 87 5.809 -6.845 11.496 1.00 0.00 O ATOM 1359 CB ASN A 87 3.052 -6.459 13.145 1.00 0.00 C ATOM 1360 CG ASN A 87 2.383 -5.610 14.208 1.00 0.00 C ATOM 1361 OD1 ASN A 87 2.999 -5.256 15.214 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.115 -5.279 13.990 1.00 0.00 N ATOM 0 H ASN A 87 1.957 -4.973 11.500 1.00 0.00 H new ATOM 0 HA ASN A 87 4.540 -4.979 12.685 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.294 -7.034 12.613 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.719 -7.176 13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.612 -4.709 14.671 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.644 -5.595 13.142 1.00 0.00 H new ATOM 1369 N PHE A 88 4.026 -6.958 10.127 1.00 0.00 N ATOM 1370 CA PHE A 88 4.683 -7.836 9.165 1.00 0.00 C ATOM 1371 C PHE A 88 5.773 -7.088 8.403 1.00 0.00 C ATOM 1372 O PHE A 88 6.864 -7.615 8.181 1.00 0.00 O ATOM 1373 CB PHE A 88 3.658 -8.408 8.184 1.00 0.00 C ATOM 1374 CG PHE A 88 4.274 -8.961 6.930 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.703 -8.114 5.921 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.422 -10.328 6.760 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.270 -8.619 4.766 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.988 -10.839 5.608 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.412 -9.984 4.609 1.00 0.00 C ATOM 0 H PHE A 88 3.067 -6.709 9.885 1.00 0.00 H new ATOM 0 HA PHE A 88 5.146 -8.656 9.714 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.092 -9.197 8.680 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.947 -7.626 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.593 -7.046 6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.091 -11.002 7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.601 -7.948 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.099 -11.907 5.488 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.854 -10.382 3.707 1.00 0.00 H new ATOM 1389 N LEU A 89 5.469 -5.858 8.003 1.00 0.00 N ATOM 1390 CA LEU A 89 6.422 -5.037 7.264 1.00 0.00 C ATOM 1391 C LEU A 89 7.588 -4.621 8.155 1.00 0.00 C ATOM 1392 O LEU A 89 8.741 -4.617 7.724 1.00 0.00 O ATOM 1393 CB LEU A 89 5.727 -3.796 6.702 1.00 0.00 C ATOM 1394 CG LEU A 89 4.864 -4.015 5.459 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.241 -2.704 5.004 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.690 -4.632 4.339 1.00 0.00 C ATOM 0 H LEU A 89 4.571 -5.408 8.178 1.00 0.00 H new ATOM 0 HA LEU A 89 6.814 -5.632 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.100 -3.370 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.489 -3.054 6.465 1.00 0.00 H new ATOM 0 HG LEU A 89 4.061 -4.706 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.630 -2.879 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.616 -2.302 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.029 -1.990 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.060 -4.781 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.514 -3.965 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.088 -5.592 4.667 1.00 0.00 H new ATOM 1408 N ALA A 90 7.280 -4.274 9.401 1.00 0.00 N ATOM 1409 CA ALA A 90 8.303 -3.861 10.354 1.00 0.00 C ATOM 1410 C ALA A 90 9.382 -4.928 10.497 1.00 0.00 C ATOM 1411 O ALA A 90 10.572 -4.618 10.547 1.00 0.00 O ATOM 1412 CB ALA A 90 7.673 -3.559 11.706 1.00 0.00 C ATOM 0 H ALA A 90 6.330 -4.271 9.774 1.00 0.00 H new ATOM 0 HA ALA A 90 8.774 -2.954 9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.448 -3.252 12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.944 -2.756 11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.175 -4.452 12.083 1.00 0.00 H new ATOM 1418 N ALA A 91 8.959 -6.186 10.565 1.00 0.00 N ATOM 1419 CA ALA A 91 9.891 -7.299 10.701 1.00 0.00 C ATOM 1420 C ALA A 91 10.866 -7.346 9.530 1.00 0.00 C ATOM 1421 O ALA A 91 11.977 -7.862 9.654 1.00 0.00 O ATOM 1422 CB ALA A 91 9.131 -8.613 10.811 1.00 0.00 C ATOM 0 H ALA A 91 7.977 -6.460 10.528 1.00 0.00 H new ATOM 0 HA ALA A 91 10.468 -7.148 11.613 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.839 -9.436 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.480 -8.585 11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.528 -8.761 9.915 1.00 0.00 H new ATOM 1428 N LYS A 92 10.443 -6.805 8.392 1.00 0.00 N ATOM 1429 CA LYS A 92 11.279 -6.784 7.198 1.00 0.00 C ATOM 1430 C LYS A 92 12.302 -5.655 7.269 1.00 0.00 C ATOM 1431 O LYS A 92 13.345 -5.708 6.619 1.00 0.00 O ATOM 1432 CB LYS A 92 10.412 -6.622 5.947 1.00 0.00 C ATOM 1433 CG LYS A 92 9.378 -7.722 5.777 1.00 0.00 C ATOM 1434 CD LYS A 92 9.994 -8.979 5.186 1.00 0.00 C ATOM 1435 CE LYS A 92 8.926 -9.970 4.747 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.399 -10.836 3.632 1.00 0.00 N ATOM 0 H LYS A 92 9.526 -6.375 8.272 1.00 0.00 H new ATOM 0 HA LYS A 92 11.814 -7.732 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.902 -5.659 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.057 -6.602 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.931 -7.955 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.574 -7.371 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.618 -8.713 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.646 -9.448 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.638 -10.593 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.034 -9.428 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.643 -11.497 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.650 -10.244 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.235 -11.373 3.940 1.00 0.00 H new ATOM 1450 N GLY A 93 11.997 -4.634 8.065 1.00 0.00 N ATOM 1451 CA GLY A 93 12.901 -3.508 8.207 1.00 0.00 C ATOM 1452 C GLY A 93 12.278 -2.203 7.753 1.00 0.00 C ATOM 1453 O GLY A 93 12.954 -1.353 7.173 1.00 0.00 O ATOM 0 H GLY A 93 11.140 -4.567 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.204 -3.419 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.805 -3.696 7.628 1.00 0.00 H new ATOM 1457 N ILE A 94 10.984 -2.044 8.014 1.00 0.00 N ATOM 1458 CA ILE A 94 10.271 -0.834 7.627 1.00 0.00 C ATOM 1459 C ILE A 94 9.670 -0.138 8.844 1.00 0.00 C ATOM 1460 O ILE A 94 9.008 -0.767 9.668 1.00 0.00 O ATOM 1461 CB ILE A 94 9.148 -1.141 6.619 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.712 -1.881 5.404 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.457 0.145 6.188 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.646 -2.474 4.509 1.00 0.00 C ATOM 0 H ILE A 94 10.409 -2.738 8.492 1.00 0.00 H new ATOM 0 HA ILE A 94 11.000 -0.174 7.157 1.00 0.00 H new ATOM 0 HB ILE A 94 8.411 -1.783 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.323 -1.192 4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.371 -2.678 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.666 -0.088 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.026 0.637 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.183 0.809 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.118 -2.983 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.050 -3.188 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.001 -1.679 4.135 1.00 0.00 H new ATOM 1526 N GLY A 98 5.543 5.505 13.074 1.00 0.00 N ATOM 1527 CA GLY A 98 4.892 6.717 12.614 1.00 0.00 C ATOM 1528 C GLY A 98 3.490 6.462 12.096 1.00 0.00 C ATOM 1529 O GLY A 98 2.564 7.219 12.389 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.848 7.435 13.433 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.491 7.170 11.824 1.00 0.00 H new ATOM 1533 N LEU A 99 3.333 5.394 11.322 1.00 0.00 N ATOM 1534 CA LEU A 99 2.034 5.041 10.760 1.00 0.00 C ATOM 1535 C LEU A 99 1.011 4.793 11.864 1.00 0.00 C ATOM 1536 O LEU A 99 1.365 4.690 13.039 1.00 0.00 O ATOM 1537 CB LEU A 99 2.158 3.798 9.877 1.00 0.00 C ATOM 1538 CG LEU A 99 3.204 3.868 8.763 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.311 2.530 8.047 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.860 4.976 7.778 1.00 0.00 C ATOM 0 H LEU A 99 4.089 4.757 11.069 1.00 0.00 H new ATOM 0 HA LEU A 99 1.690 5.878 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.392 2.946 10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.187 3.600 9.424 1.00 0.00 H new ATOM 0 HG LEU A 99 4.171 4.095 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.060 2.599 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.604 1.759 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.346 2.273 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.615 5.012 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.884 4.779 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.835 5.932 8.300 1.00 0.00 H new ATOM 1552 N SER A 100 -0.257 4.697 11.479 1.00 0.00 N ATOM 1553 CA SER A 100 -1.331 4.464 12.437 1.00 0.00 C ATOM 1554 C SER A 100 -2.516 3.774 11.767 1.00 0.00 C ATOM 1555 O SER A 100 -3.246 4.387 10.989 1.00 0.00 O ATOM 1556 CB SER A 100 -1.783 5.785 13.062 1.00 0.00 C ATOM 1557 OG SER A 100 -0.839 6.248 14.013 1.00 0.00 O ATOM 0 H SER A 100 -0.566 4.777 10.510 1.00 0.00 H new ATOM 0 HA SER A 100 -0.948 3.812 13.222 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.915 6.534 12.281 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.752 5.651 13.542 1.00 0.00 H new ATOM 0 HG SER A 100 0.008 5.770 13.892 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.700 2.494 12.076 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.796 1.721 11.506 1.00 0.00 C ATOM 1565 C ALA A 101 -5.103 2.504 11.554 1.00 0.00 C ATOM 1566 O ALA A 101 -5.786 2.651 10.541 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.945 0.397 12.240 1.00 0.00 C ATOM 0 H ALA A 101 -2.104 1.971 12.718 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.561 1.520 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.767 -0.170 11.804 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.022 -0.175 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.153 0.586 13.293 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.445 3.005 12.737 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.673 3.772 12.915 1.00 0.00 C ATOM 1575 C GLU A 102 -6.774 4.885 11.877 1.00 0.00 C ATOM 1576 O GLU A 102 -7.804 5.045 11.222 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.728 4.366 14.324 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.141 4.634 14.817 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.169 5.249 16.202 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.149 5.846 16.606 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.209 5.133 16.882 1.00 0.00 O ATOM 0 H GLU A 102 -4.890 2.894 13.585 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.517 3.096 12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.234 3.684 15.016 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.164 5.299 14.338 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.645 5.300 14.117 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.702 3.699 14.827 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.698 5.653 11.734 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.667 6.752 10.776 1.00 0.00 C ATOM 1590 C GLU A 103 -5.856 6.238 9.352 1.00 0.00 C ATOM 1591 O GLU A 103 -6.583 6.835 8.557 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.344 7.514 10.884 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.105 8.128 12.254 1.00 0.00 C ATOM 1594 CD GLU A 103 -4.805 9.462 12.425 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.012 9.543 12.115 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.145 10.426 12.868 1.00 0.00 O ATOM 0 H GLU A 103 -4.837 5.534 12.269 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.488 7.429 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.523 6.835 10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.327 8.304 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.453 7.438 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.034 8.262 12.406 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.195 5.130 9.037 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.290 4.535 7.709 1.00 0.00 C ATOM 1605 C ILE A 104 -6.725 4.127 7.391 1.00 0.00 C ATOM 1606 O ILE A 104 -7.230 4.395 6.300 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.376 3.303 7.577 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.917 3.694 7.818 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.540 2.667 6.205 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.951 2.538 7.682 1.00 0.00 C ATOM 0 H ILE A 104 -4.588 4.626 9.683 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.965 5.295 6.999 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.665 2.572 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.637 4.476 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.824 4.119 8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.888 1.797 6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.576 2.357 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.274 3.391 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.936 2.889 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.205 1.765 8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.016 2.126 6.675 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.377 3.480 8.351 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.754 3.036 8.174 1.00 0.00 C ATOM 1624 C ARG A 105 -9.681 4.223 7.931 1.00 0.00 C ATOM 1625 O ARG A 105 -10.707 4.095 7.263 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.222 2.253 9.402 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.689 1.861 9.352 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.057 0.930 10.497 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.474 1.017 10.840 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.026 2.075 11.423 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.284 3.130 11.728 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.323 2.078 11.703 1.00 0.00 N ATOM 0 H ARG A 105 -6.974 3.252 9.260 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.790 2.384 7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.617 1.352 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.045 2.854 10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.308 2.757 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.904 1.373 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.813 -0.096 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.456 1.177 11.372 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.073 0.221 10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.286 3.131 11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.710 3.941 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.897 1.267 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.746 2.891 12.151 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.313 5.377 8.478 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.113 6.586 8.321 1.00 0.00 C ATOM 1648 C ASN A 106 -9.957 7.163 6.918 1.00 0.00 C ATOM 1649 O ASN A 106 -10.842 7.858 6.419 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.704 7.631 9.362 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.412 7.434 10.688 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.638 7.343 10.743 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.640 7.366 11.767 1.00 0.00 N ATOM 0 H ASN A 106 -8.466 5.500 9.034 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.160 6.322 8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.626 7.582 9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.926 8.627 8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.060 7.233 12.687 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.627 7.446 11.675 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.826 6.869 6.284 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.575 7.365 4.944 1.00 0.00 C ATOM 1662 C GLY A 107 -7.738 8.629 4.941 1.00 0.00 C ATOM 1663 O GLY A 107 -7.795 9.417 3.998 1.00 0.00 O ATOM 0 H GLY A 107 -8.079 6.296 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.066 6.595 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.526 7.561 4.449 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.958 8.823 5.999 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.106 10.001 6.116 1.00 0.00 C ATOM 1669 C ASN A 108 -4.929 9.919 5.149 1.00 0.00 C ATOM 1670 O ASN A 108 -3.972 9.178 5.381 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.594 10.146 7.550 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.075 11.541 7.841 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -5.676 12.536 7.435 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -3.953 11.619 8.546 1.00 0.00 N ATOM 0 H ASN A 108 -6.898 8.179 6.788 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.703 10.877 5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.399 9.908 8.246 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.798 9.422 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.555 12.531 8.772 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.489 10.767 8.862 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.005 10.684 4.066 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.945 10.699 3.064 1.00 0.00 C ATOM 1683 C LEU A 109 -2.570 10.675 3.725 1.00 0.00 C ATOM 1684 O LEU A 109 -1.728 9.837 3.401 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.074 11.937 2.175 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.520 11.806 0.756 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.333 10.799 -0.043 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.510 13.159 0.060 1.00 0.00 C ATOM 0 H LEU A 109 -5.790 11.302 3.859 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.048 9.805 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.129 12.203 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.566 12.767 2.666 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.493 11.445 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.924 10.719 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.288 9.826 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.370 11.130 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.113 13.046 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.527 13.549 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.884 13.852 0.621 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.350 11.599 4.654 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.079 11.682 5.364 1.00 0.00 C ATOM 1702 C LYS A 110 -0.618 10.302 5.820 1.00 0.00 C ATOM 1703 O LYS A 110 0.565 9.974 5.739 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.207 12.613 6.573 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.116 14.087 6.217 1.00 0.00 C ATOM 1706 CD LYS A 110 0.292 14.474 5.797 1.00 0.00 C ATOM 1707 CE LYS A 110 1.130 14.907 6.990 1.00 0.00 C ATOM 1708 NZ LYS A 110 0.634 16.179 7.584 1.00 0.00 N ATOM 0 H LYS A 110 -3.035 12.301 4.933 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.334 12.086 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.161 12.425 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.423 12.372 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.812 14.310 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.419 14.688 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.771 13.629 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.246 15.285 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.116 14.123 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.167 15.032 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.413 16.658 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.271 16.796 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.129 15.972 8.259 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.561 9.495 6.297 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.252 8.149 6.761 1.00 0.00 C ATOM 1724 C ALA A 111 -0.901 7.233 5.594 1.00 0.00 C ATOM 1725 O ALA A 111 0.233 6.767 5.477 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.423 7.580 7.548 1.00 0.00 C ATOM 0 H ALA A 111 -2.545 9.751 6.372 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.383 8.208 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.178 6.574 7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.625 8.216 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.306 7.542 6.910 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.881 6.978 4.733 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.675 6.117 3.575 1.00 0.00 C ATOM 1734 C ILE A 112 -0.360 6.443 2.875 1.00 0.00 C ATOM 1735 O ILE A 112 0.530 5.597 2.777 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.828 6.249 2.563 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.158 5.873 3.220 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.567 5.376 1.345 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.856 7.040 3.883 1.00 0.00 C ATOM 0 H ILE A 112 -2.825 7.355 4.816 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.643 5.092 3.945 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.887 7.287 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.819 5.446 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.980 5.096 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.391 5.480 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.638 5.687 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.485 4.334 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.791 6.700 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.214 7.454 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.066 7.809 3.139 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.243 7.675 2.391 1.00 0.00 N ATOM 1752 CA LEU A 113 0.965 8.114 1.702 1.00 0.00 C ATOM 1753 C LEU A 113 2.214 7.707 2.477 1.00 0.00 C ATOM 1754 O LEU A 113 3.218 7.304 1.890 1.00 0.00 O ATOM 1755 CB LEU A 113 0.943 9.632 1.510 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.130 10.173 0.565 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.012 11.678 0.402 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.051 9.479 -0.787 1.00 0.00 C ATOM 0 H LEU A 113 -0.970 8.387 2.463 1.00 0.00 H new ATOM 0 HA LEU A 113 0.992 7.630 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.809 10.100 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.918 9.945 1.138 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.107 9.965 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.760 12.045 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.096 12.161 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.994 11.908 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.822 9.877 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.930 9.654 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.204 8.408 -0.656 1.00 0.00 H new ATOM 1770 N GLY A 114 2.143 7.811 3.801 1.00 0.00 N ATOM 1771 CA GLY A 114 3.273 7.448 4.635 1.00 0.00 C ATOM 1772 C GLY A 114 3.605 5.971 4.551 1.00 0.00 C ATOM 1773 O GLY A 114 4.776 5.589 4.566 1.00 0.00 O ATOM 0 H GLY A 114 1.323 8.140 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.144 8.031 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.055 7.710 5.670 1.00 0.00 H new ATOM 1777 N LEU A 115 2.574 5.139 4.464 1.00 0.00 N ATOM 1778 CA LEU A 115 2.761 3.695 4.378 1.00 0.00 C ATOM 1779 C LEU A 115 3.365 3.302 3.034 1.00 0.00 C ATOM 1780 O LEU A 115 4.438 2.703 2.974 1.00 0.00 O ATOM 1781 CB LEU A 115 1.427 2.975 4.581 1.00 0.00 C ATOM 1782 CG LEU A 115 1.270 1.636 3.858 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.348 0.713 4.640 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.741 1.851 2.447 1.00 0.00 C ATOM 0 H LEU A 115 1.599 5.439 4.451 1.00 0.00 H new ATOM 0 HA LEU A 115 3.452 3.396 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.286 2.807 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.626 3.638 4.254 1.00 0.00 H new ATOM 0 HG LEU A 115 2.250 1.164 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.248 -0.235 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.767 0.533 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.633 1.178 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.635 0.888 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.230 2.344 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.438 2.475 1.888 1.00 0.00 H new ATOM 1796 N PHE A 116 2.668 3.647 1.955 1.00 0.00 N ATOM 1797 CA PHE A 116 3.136 3.332 0.611 1.00 0.00 C ATOM 1798 C PHE A 116 4.446 4.053 0.307 1.00 0.00 C ATOM 1799 O PHE A 116 5.149 3.713 -0.644 1.00 0.00 O ATOM 1800 CB PHE A 116 2.077 3.718 -0.424 1.00 0.00 C ATOM 1801 CG PHE A 116 1.106 2.614 -0.730 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.477 1.552 -1.539 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.177 2.637 -0.208 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.586 0.533 -1.822 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -1.072 1.621 -0.487 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.690 0.569 -1.296 1.00 0.00 C ATOM 0 H PHE A 116 1.778 4.144 1.986 1.00 0.00 H new ATOM 0 HA PHE A 116 3.313 2.258 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.526 4.586 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.575 4.019 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.474 1.520 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.482 3.458 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 116 0.888 -0.290 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -2.069 1.650 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.389 -0.225 -1.517 1.00 0.00 H new ATOM 1816 N PHE A 117 4.767 5.052 1.123 1.00 0.00 N ATOM 1817 CA PHE A 117 5.992 5.823 0.942 1.00 0.00 C ATOM 1818 C PHE A 117 7.203 5.047 1.451 1.00 0.00 C ATOM 1819 O PHE A 117 8.290 5.127 0.879 1.00 0.00 O ATOM 1820 CB PHE A 117 5.887 7.164 1.672 1.00 0.00 C ATOM 1821 CG PHE A 117 7.217 7.817 1.919 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.114 7.271 2.824 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.570 8.976 1.247 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.339 7.870 3.054 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.794 9.578 1.473 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.678 9.025 2.378 1.00 0.00 C ATOM 0 H PHE A 117 4.196 5.346 1.915 1.00 0.00 H new ATOM 0 HA PHE A 117 6.123 6.007 -0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.263 7.839 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.383 7.011 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.853 6.368 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.882 9.414 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.029 7.435 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.058 10.480 0.942 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.634 9.495 2.557 1.00 0.00 H new ATOM 1836 N SER A 118 7.007 4.297 2.531 1.00 0.00 N ATOM 1837 CA SER A 118 8.084 3.510 3.121 1.00 0.00 C ATOM 1838 C SER A 118 8.073 2.084 2.579 1.00 0.00 C ATOM 1839 O SER A 118 9.124 1.463 2.411 1.00 0.00 O ATOM 1840 CB SER A 118 7.953 3.490 4.645 1.00 0.00 C ATOM 1841 OG SER A 118 7.049 2.483 5.066 1.00 0.00 O ATOM 0 H SER A 118 6.113 4.218 3.015 1.00 0.00 H new ATOM 0 HA SER A 118 9.032 3.976 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.931 3.317 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.608 4.463 4.996 1.00 0.00 H new ATOM 0 HG SER A 118 6.984 2.490 6.044 1.00 0.00 H new ATOM 1847 N LEU A 119 6.879 1.569 2.308 1.00 0.00 N ATOM 1848 CA LEU A 119 6.729 0.216 1.785 1.00 0.00 C ATOM 1849 C LEU A 119 7.453 0.064 0.451 1.00 0.00 C ATOM 1850 O LEU A 119 8.276 -0.835 0.279 1.00 0.00 O ATOM 1851 CB LEU A 119 5.248 -0.126 1.617 1.00 0.00 C ATOM 1852 CG LEU A 119 4.932 -1.315 0.707 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.607 -2.576 1.224 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.428 -1.519 0.599 1.00 0.00 C ATOM 0 H LEU A 119 6.000 2.069 2.442 1.00 0.00 H new ATOM 0 HA LEU A 119 7.176 -0.475 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.828 -0.327 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.735 0.752 1.225 1.00 0.00 H new ATOM 0 HG LEU A 119 5.322 -1.100 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.371 -3.411 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.686 -2.427 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.248 -2.795 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.222 -2.369 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.015 -1.712 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.968 -0.623 0.182 1.00 0.00 H new ATOM 1866 N SER A 120 7.142 0.951 -0.489 1.00 0.00 N ATOM 1867 CA SER A 120 7.761 0.915 -1.808 1.00 0.00 C ATOM 1868 C SER A 120 9.281 0.837 -1.693 1.00 0.00 C ATOM 1869 O SER A 120 9.948 0.235 -2.534 1.00 0.00 O ATOM 1870 CB SER A 120 7.362 2.151 -2.617 1.00 0.00 C ATOM 1871 OG SER A 120 7.695 1.995 -3.985 1.00 0.00 O ATOM 0 H SER A 120 6.465 1.703 -0.361 1.00 0.00 H new ATOM 0 HA SER A 120 7.407 0.023 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.290 2.324 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.865 3.030 -2.215 1.00 0.00 H new ATOM 0 HG SER A 120 7.217 1.223 -4.352 1.00 0.00 H new ATOM 1877 N ARG A 121 9.820 1.453 -0.646 1.00 0.00 N ATOM 1878 CA ARG A 121 11.261 1.456 -0.421 1.00 0.00 C ATOM 1879 C ARG A 121 11.778 0.039 -0.191 1.00 0.00 C ATOM 1880 O ARG A 121 12.765 -0.379 -0.797 1.00 0.00 O ATOM 1881 CB ARG A 121 11.609 2.338 0.780 1.00 0.00 C ATOM 1882 CG ARG A 121 11.114 3.769 0.648 1.00 0.00 C ATOM 1883 CD ARG A 121 11.728 4.671 1.707 1.00 0.00 C ATOM 1884 NE ARG A 121 13.089 5.074 1.361 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.380 5.884 0.349 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.411 6.375 -0.411 1.00 0.00 N ATOM 1887 NH2 ARG A 121 14.642 6.205 0.097 1.00 0.00 N ATOM 0 H ARG A 121 9.281 1.956 0.059 1.00 0.00 H new ATOM 0 HA ARG A 121 11.742 1.860 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.182 1.896 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.691 2.347 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.360 4.150 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.028 3.789 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.108 5.559 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.736 4.151 2.665 1.00 0.00 H new ATOM 0 HE ARG A 121 13.857 4.714 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.439 6.131 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.637 6.997 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.390 5.830 0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 121 14.865 6.827 -0.680 1.00 0.00 H new ATOM 1901 N TYR A 122 11.105 -0.696 0.688 1.00 0.00 N ATOM 1902 CA TYR A 122 11.498 -2.065 1.000 1.00 0.00 C ATOM 1903 C TYR A 122 11.944 -2.804 -0.258 1.00 0.00 C ATOM 1904 O TYR A 122 12.943 -3.524 -0.249 1.00 0.00 O ATOM 1905 CB TYR A 122 10.338 -2.813 1.660 1.00 0.00 C ATOM 1906 CG TYR A 122 10.395 -4.311 1.465 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.066 -4.886 0.243 1.00 0.00 C ATOM 1908 CD2 TYR A 122 10.776 -5.152 2.503 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.116 -6.254 0.061 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.831 -6.522 2.330 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.500 -7.068 1.107 1.00 0.00 C ATOM 1912 OH TYR A 122 10.551 -8.432 0.931 1.00 0.00 O ATOM 0 H TYR A 122 10.285 -0.366 1.197 1.00 0.00 H new ATOM 0 HA TYR A 122 12.338 -2.026 1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.336 -2.594 2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.398 -2.438 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.766 -4.252 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.034 -4.728 3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.856 -6.684 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.131 -7.161 3.147 1.00 0.00 H new ATOM 0 HH TYR A 122 10.841 -8.859 1.764 1.00 0.00 H new ATOM 1922 N LYS A 123 11.196 -2.620 -1.341 1.00 0.00 N ATOM 1923 CA LYS A 123 11.513 -3.266 -2.609 1.00 0.00 C ATOM 1924 C LYS A 123 12.458 -2.403 -3.438 1.00 0.00 C ATOM 1925 O LYS A 123 13.524 -2.857 -3.853 1.00 0.00 O ATOM 1926 CB LYS A 123 10.232 -3.542 -3.399 1.00 0.00 C ATOM 1927 CG LYS A 123 10.440 -4.450 -4.598 1.00 0.00 C ATOM 1928 CD LYS A 123 10.452 -5.915 -4.193 1.00 0.00 C ATOM 1929 CE LYS A 123 9.955 -6.809 -5.319 1.00 0.00 C ATOM 1930 NZ LYS A 123 11.066 -7.253 -6.206 1.00 0.00 N ATOM 0 H LYS A 123 10.366 -2.028 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 123 12.009 -4.212 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.496 -3.995 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.814 -2.595 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.647 -4.279 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.381 -4.199 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.464 -6.208 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.825 -6.055 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.456 -7.682 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.212 -6.272 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.687 -7.860 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.526 -6.422 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.762 -7.788 -5.649 1.00 0.00 H new ATOM 1944 N GLN A 124 12.060 -1.157 -3.674 1.00 0.00 N ATOM 1945 CA GLN A 124 12.873 -0.230 -4.454 1.00 0.00 C ATOM 1946 C GLN A 124 14.339 -0.313 -4.041 1.00 0.00 C ATOM 1947 O GLN A 124 15.230 0.047 -4.809 1.00 0.00 O ATOM 1948 CB GLN A 124 12.362 1.201 -4.280 1.00 0.00 C ATOM 1949 CG GLN A 124 11.050 1.470 -5.000 1.00 0.00 C ATOM 1950 CD GLN A 124 11.215 1.540 -6.505 1.00 0.00 C ATOM 1951 OE1 GLN A 124 11.439 2.612 -7.068 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.105 0.394 -7.167 1.00 0.00 N ATOM 0 H GLN A 124 11.180 -0.766 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 124 12.793 -0.511 -5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.232 1.405 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.118 1.895 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 124 10.336 0.684 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.628 2.409 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.919 -0.472 -6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.207 0.379 -8.182 1.00 0.00 H new