USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 639 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Set 2.2: A 61 SER OG : rot -158:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.057) USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= -1.5 (180deg=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 45 TYR OH : rot 103:sc= 1.23 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 1.14 (180deg=0.35) USER MOD Single : A 52 GLN : amide:sc= -0.0499 K(o=-0.05,f=-0.87) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0398 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.72 K(o=-2.7,f=-6.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 86 TYR OH : rot 90:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.00829 X(o=0.0083,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 95 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.625 -12.031 0.411 1.00 0.00 N ATOM 137 CA TRP A 13 -6.300 -10.922 -0.479 1.00 0.00 C ATOM 138 C TRP A 13 -4.820 -10.569 -0.391 1.00 0.00 C ATOM 139 O TRP A 13 -4.282 -10.373 0.700 1.00 0.00 O ATOM 140 CB TRP A 13 -7.150 -9.698 -0.134 1.00 0.00 C ATOM 141 CG TRP A 13 -6.807 -8.488 -0.948 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.620 -7.813 -0.951 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.660 -7.808 -1.875 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.683 -6.754 -1.825 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.924 -6.730 -2.405 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.973 -8.006 -2.311 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.459 -5.855 -3.346 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.503 -7.136 -3.245 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.747 -6.072 -3.755 1.00 0.00 C ATOM 0 HA TRP A 13 -6.520 -11.232 -1.500 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.202 -9.941 -0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.024 -9.464 0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.758 -8.073 -0.354 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.929 -6.093 -2.011 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.563 -8.824 -1.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.878 -5.034 -3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.517 -7.279 -3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.189 -5.410 -4.485 1.00 0.00 H new ATOM 160 N HIS A 14 -4.165 -10.490 -1.544 1.00 0.00 N ATOM 161 CA HIS A 14 -2.745 -10.159 -1.596 1.00 0.00 C ATOM 162 C HIS A 14 -2.480 -9.063 -2.625 1.00 0.00 C ATOM 163 O HIS A 14 -3.285 -8.837 -3.528 1.00 0.00 O ATOM 164 CB HIS A 14 -1.922 -11.402 -1.935 1.00 0.00 C ATOM 165 CG HIS A 14 -1.892 -11.720 -3.398 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.725 -12.650 -3.984 1.00 0.00 N ATOM 167 CD2 HIS A 14 -1.124 -11.224 -4.397 1.00 0.00 C ATOM 168 CE1 HIS A 14 -2.469 -12.714 -5.278 1.00 0.00 C ATOM 169 NE2 HIS A 14 -1.502 -11.858 -5.555 1.00 0.00 N ATOM 0 H HIS A 14 -4.594 -10.651 -2.455 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.447 -9.792 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.901 -11.259 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.330 -12.256 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.357 -10.470 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.966 -13.357 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.101 -11.694 -6.479 1.00 0.00 H new ATOM 178 N LEU A 15 -1.346 -8.385 -2.480 1.00 0.00 N ATOM 179 CA LEU A 15 -0.975 -7.312 -3.396 1.00 0.00 C ATOM 180 C LEU A 15 0.542 -7.207 -3.525 1.00 0.00 C ATOM 181 O LEU A 15 1.281 -7.619 -2.632 1.00 0.00 O ATOM 182 CB LEU A 15 -1.550 -5.980 -2.912 1.00 0.00 C ATOM 183 CG LEU A 15 -1.604 -4.856 -3.948 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.808 -5.029 -4.860 1.00 0.00 C ATOM 185 CD2 LEU A 15 -1.643 -3.499 -3.261 1.00 0.00 C ATOM 0 H LEU A 15 -0.669 -8.559 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.390 -7.545 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.561 -6.156 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.956 -5.638 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.702 -4.906 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.830 -4.220 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.737 -5.985 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.721 -5.006 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.681 -2.711 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.527 -3.438 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.749 -3.374 -2.650 1.00 0.00 H new ATOM 197 N ALA A 16 0.998 -6.652 -4.643 1.00 0.00 N ATOM 198 CA ALA A 16 2.426 -6.489 -4.887 1.00 0.00 C ATOM 199 C ALA A 16 2.890 -5.085 -4.514 1.00 0.00 C ATOM 200 O ALA A 16 2.100 -4.140 -4.506 1.00 0.00 O ATOM 201 CB ALA A 16 2.749 -6.783 -6.345 1.00 0.00 C ATOM 0 H ALA A 16 0.400 -6.308 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 16 2.961 -7.200 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.819 -6.657 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.462 -7.808 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.198 -6.095 -6.986 1.00 0.00 H new ATOM 207 N VAL A 17 4.176 -4.955 -4.203 1.00 0.00 N ATOM 208 CA VAL A 17 4.745 -3.666 -3.829 1.00 0.00 C ATOM 209 C VAL A 17 6.107 -3.457 -4.480 1.00 0.00 C ATOM 210 O VAL A 17 6.952 -4.352 -4.479 1.00 0.00 O ATOM 211 CB VAL A 17 4.894 -3.541 -2.301 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.754 -2.337 -1.945 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.528 -3.445 -1.639 1.00 0.00 C ATOM 0 H VAL A 17 4.843 -5.727 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 17 4.055 -2.900 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 17 5.391 -4.436 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.848 -2.265 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.743 -2.453 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.288 -1.430 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.652 -3.357 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.002 -2.568 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.950 -4.341 -1.866 1.00 0.00 H new ATOM 223 N LYS A 18 6.315 -2.268 -5.036 1.00 0.00 N ATOM 224 CA LYS A 18 7.576 -1.938 -5.690 1.00 0.00 C ATOM 225 C LYS A 18 7.992 -0.504 -5.378 1.00 0.00 C ATOM 226 O LYS A 18 7.231 0.437 -5.605 1.00 0.00 O ATOM 227 CB LYS A 18 7.453 -2.127 -7.204 1.00 0.00 C ATOM 228 CG LYS A 18 7.548 -3.577 -7.646 1.00 0.00 C ATOM 229 CD LYS A 18 8.963 -4.112 -7.504 1.00 0.00 C ATOM 230 CE LYS A 18 9.971 -3.214 -8.205 1.00 0.00 C ATOM 231 NZ LYS A 18 10.457 -2.124 -7.313 1.00 0.00 N ATOM 0 H LYS A 18 5.626 -1.516 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 18 8.343 -2.611 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.500 -1.716 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.237 -1.553 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.867 -4.185 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.228 -3.663 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.219 -4.192 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.017 -5.117 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.818 -3.812 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.514 -2.779 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.122 -1.207 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.092 -2.274 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.497 -2.129 -7.293 1.00 0.00 H new ATOM 245 N LEU A 19 9.204 -0.345 -4.858 1.00 0.00 N ATOM 246 CA LEU A 19 9.723 0.975 -4.516 1.00 0.00 C ATOM 247 C LEU A 19 10.016 1.787 -5.773 1.00 0.00 C ATOM 248 O LEU A 19 10.734 1.334 -6.663 1.00 0.00 O ATOM 249 CB LEU A 19 10.992 0.843 -3.673 1.00 0.00 C ATOM 250 CG LEU A 19 11.254 1.970 -2.673 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.613 1.652 -1.331 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.749 2.202 -2.510 1.00 0.00 C ATOM 0 H LEU A 19 9.846 -1.114 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 19 8.962 1.498 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.944 -0.098 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.846 0.776 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 19 10.805 2.885 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.810 2.465 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.537 1.537 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.032 0.726 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.916 3.007 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.221 1.290 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.182 2.476 -3.472 1.00 0.00 H new ATOM 264 N ALA A 20 9.456 2.991 -5.837 1.00 0.00 N ATOM 265 CA ALA A 20 9.661 3.868 -6.983 1.00 0.00 C ATOM 266 C ALA A 20 11.060 4.474 -6.968 1.00 0.00 C ATOM 267 O ALA A 20 11.629 4.774 -8.018 1.00 0.00 O ATOM 268 CB ALA A 20 8.608 4.967 -7.001 1.00 0.00 C ATOM 0 H ALA A 20 8.857 3.381 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 20 9.563 3.270 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.773 5.615 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.616 4.520 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.680 5.555 -6.086 1.00 0.00 H new ATOM 274 N ASP A 21 11.610 4.651 -5.771 1.00 0.00 N ATOM 275 CA ASP A 21 12.944 5.221 -5.619 1.00 0.00 C ATOM 276 C ASP A 21 14.016 4.192 -5.963 1.00 0.00 C ATOM 277 O ASP A 21 15.091 4.542 -6.451 1.00 0.00 O ATOM 278 CB ASP A 21 13.145 5.729 -4.191 1.00 0.00 C ATOM 279 CG ASP A 21 14.117 6.889 -4.120 1.00 0.00 C ATOM 280 OD1 ASP A 21 13.905 7.886 -4.842 1.00 0.00 O ATOM 281 OD2 ASP A 21 15.092 6.801 -3.344 1.00 0.00 O ATOM 0 H ASP A 21 11.153 4.408 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 21 13.036 6.059 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.184 6.039 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.511 4.914 -3.567 1.00 0.00 H new ATOM 286 N GLN A 22 13.717 2.924 -5.704 1.00 0.00 N ATOM 287 CA GLN A 22 14.657 1.845 -5.984 1.00 0.00 C ATOM 288 C GLN A 22 14.032 0.805 -6.908 1.00 0.00 C ATOM 289 O GLN A 22 13.442 -0.180 -6.464 1.00 0.00 O ATOM 290 CB GLN A 22 15.108 1.182 -4.681 1.00 0.00 C ATOM 291 CG GLN A 22 15.840 2.126 -3.740 1.00 0.00 C ATOM 292 CD GLN A 22 16.651 1.391 -2.691 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.617 0.697 -3.009 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.261 1.539 -1.430 1.00 0.00 N ATOM 0 H GLN A 22 12.831 2.618 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 22 15.525 2.274 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.236 0.776 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.759 0.341 -4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.501 2.770 -4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.116 2.774 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.455 2.124 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.768 1.068 -0.681 1.00 0.00 H new ATOM 303 N PRO A 23 14.164 1.026 -8.224 1.00 0.00 N ATOM 304 CA PRO A 23 13.619 0.118 -9.238 1.00 0.00 C ATOM 305 C PRO A 23 14.365 -1.211 -9.287 1.00 0.00 C ATOM 306 O PRO A 23 13.975 -2.126 -10.013 1.00 0.00 O ATOM 307 CB PRO A 23 13.813 0.890 -10.546 1.00 0.00 C ATOM 308 CG PRO A 23 14.955 1.808 -10.278 1.00 0.00 C ATOM 309 CD PRO A 23 14.856 2.179 -8.824 1.00 0.00 C ATOM 0 HA PRO A 23 12.582 -0.147 -9.033 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.032 0.216 -11.374 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.914 1.444 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.906 1.321 -10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.901 2.694 -10.911 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.840 2.332 -8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.295 3.103 -8.682 1.00 0.00 H new ATOM 317 N LEU A 24 15.438 -1.310 -8.511 1.00 0.00 N ATOM 318 CA LEU A 24 16.239 -2.529 -8.466 1.00 0.00 C ATOM 319 C LEU A 24 15.886 -3.368 -7.242 1.00 0.00 C ATOM 320 O LEU A 24 16.003 -4.593 -7.262 1.00 0.00 O ATOM 321 CB LEU A 24 17.729 -2.183 -8.448 1.00 0.00 C ATOM 322 CG LEU A 24 18.228 -1.303 -9.595 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.433 -0.486 -9.156 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.570 -2.153 -10.810 1.00 0.00 C ATOM 0 H LEU A 24 15.774 -0.562 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 24 16.018 -3.113 -9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.953 -1.681 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.298 -3.113 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 24 17.430 -0.614 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.774 0.134 -9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.154 0.152 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.236 -1.157 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.923 -1.510 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.351 -2.867 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.681 -2.692 -11.139 1.00 0.00 H new ATOM 336 N ALA A 25 15.450 -2.700 -6.179 1.00 0.00 N ATOM 337 CA ALA A 25 15.075 -3.384 -4.948 1.00 0.00 C ATOM 338 C ALA A 25 14.068 -4.495 -5.223 1.00 0.00 C ATOM 339 O ALA A 25 13.318 -4.459 -6.198 1.00 0.00 O ATOM 340 CB ALA A 25 14.509 -2.391 -3.944 1.00 0.00 C ATOM 0 H ALA A 25 15.348 -1.686 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 25 15.971 -3.839 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.233 -2.916 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.261 -1.635 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.627 -1.909 -4.366 1.00 0.00 H new ATOM 346 N PRO A 26 14.048 -5.508 -4.343 1.00 0.00 N ATOM 347 CA PRO A 26 13.137 -6.649 -4.470 1.00 0.00 C ATOM 348 C PRO A 26 11.685 -6.263 -4.207 1.00 0.00 C ATOM 349 O PRO A 26 11.403 -5.184 -3.686 1.00 0.00 O ATOM 350 CB PRO A 26 13.634 -7.622 -3.398 1.00 0.00 C ATOM 351 CG PRO A 26 14.309 -6.759 -2.388 1.00 0.00 C ATOM 352 CD PRO A 26 14.914 -5.617 -3.157 1.00 0.00 C ATOM 0 HA PRO A 26 13.143 -7.065 -5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.808 -8.179 -2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.324 -8.355 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.597 -6.396 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.075 -7.316 -1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.915 -4.696 -2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.949 -5.821 -3.432 1.00 0.00 H new ATOM 360 N LYS A 27 10.766 -7.152 -4.571 1.00 0.00 N ATOM 361 CA LYS A 27 9.343 -6.906 -4.374 1.00 0.00 C ATOM 362 C LYS A 27 8.894 -7.385 -2.996 1.00 0.00 C ATOM 363 O LYS A 27 9.514 -8.267 -2.403 1.00 0.00 O ATOM 364 CB LYS A 27 8.527 -7.610 -5.460 1.00 0.00 C ATOM 365 CG LYS A 27 7.176 -6.966 -5.721 1.00 0.00 C ATOM 366 CD LYS A 27 6.213 -7.938 -6.380 1.00 0.00 C ATOM 367 CE LYS A 27 6.830 -8.585 -7.611 1.00 0.00 C ATOM 368 NZ LYS A 27 7.067 -7.596 -8.698 1.00 0.00 N ATOM 0 H LYS A 27 10.982 -8.050 -5.004 1.00 0.00 H new ATOM 0 HA LYS A 27 9.173 -5.831 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.101 -7.618 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.374 -8.650 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.752 -6.614 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.306 -6.092 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.928 -8.710 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.300 -7.413 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.774 -9.058 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.172 -9.374 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.488 -8.076 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.163 -7.163 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.715 -6.857 -8.359 1.00 0.00 H new ATOM 382 N SER A 28 7.813 -6.797 -2.494 1.00 0.00 N ATOM 383 CA SER A 28 7.283 -7.162 -1.186 1.00 0.00 C ATOM 384 C SER A 28 5.797 -7.499 -1.276 1.00 0.00 C ATOM 385 O SER A 28 4.973 -6.640 -1.590 1.00 0.00 O ATOM 386 CB SER A 28 7.499 -6.023 -0.188 1.00 0.00 C ATOM 387 OG SER A 28 8.878 -5.831 0.076 1.00 0.00 O ATOM 0 H SER A 28 7.287 -6.066 -2.973 1.00 0.00 H new ATOM 0 HA SER A 28 7.818 -8.046 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.070 -5.102 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.975 -6.246 0.742 1.00 0.00 H new ATOM 0 HG SER A 28 8.990 -5.097 0.715 1.00 0.00 H new ATOM 393 N ILE A 29 5.464 -8.755 -0.999 1.00 0.00 N ATOM 394 CA ILE A 29 4.079 -9.206 -1.047 1.00 0.00 C ATOM 395 C ILE A 29 3.320 -8.785 0.206 1.00 0.00 C ATOM 396 O ILE A 29 3.618 -9.243 1.310 1.00 0.00 O ATOM 397 CB ILE A 29 3.990 -10.736 -1.198 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.909 -11.214 -2.324 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.553 -11.159 -1.464 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.479 -10.744 -3.695 1.00 0.00 C ATOM 0 H ILE A 29 6.134 -9.478 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 29 3.624 -8.736 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 29 4.318 -11.198 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.922 -10.862 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.943 -12.303 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.506 -12.243 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.922 -10.847 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.200 -10.690 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.176 -11.120 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.478 -11.118 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.472 -9.654 -3.721 1.00 0.00 H new ATOM 412 N LEU A 30 2.335 -7.911 0.029 1.00 0.00 N ATOM 413 CA LEU A 30 1.530 -7.428 1.146 1.00 0.00 C ATOM 414 C LEU A 30 0.161 -8.101 1.161 1.00 0.00 C ATOM 415 O LEU A 30 -0.408 -8.396 0.110 1.00 0.00 O ATOM 416 CB LEU A 30 1.363 -5.910 1.061 1.00 0.00 C ATOM 417 CG LEU A 30 0.508 -5.267 2.154 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.348 -4.983 3.390 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.139 -3.988 1.642 1.00 0.00 C ATOM 0 H LEU A 30 2.075 -7.522 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 30 2.049 -7.679 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.353 -5.454 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.924 -5.666 0.094 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.282 -5.966 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.723 -4.526 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.764 -5.916 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.160 -4.303 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.744 -3.544 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.636 -3.284 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.774 -4.219 0.786 1.00 0.00 H new ATOM 431 N GLN A 31 -0.362 -8.340 2.360 1.00 0.00 N ATOM 432 CA GLN A 31 -1.665 -8.977 2.511 1.00 0.00 C ATOM 433 C GLN A 31 -2.547 -8.190 3.475 1.00 0.00 C ATOM 434 O GLN A 31 -2.427 -8.324 4.693 1.00 0.00 O ATOM 435 CB GLN A 31 -1.498 -10.413 3.011 1.00 0.00 C ATOM 436 CG GLN A 31 -0.747 -11.311 2.041 1.00 0.00 C ATOM 437 CD GLN A 31 -0.841 -12.778 2.412 1.00 0.00 C ATOM 438 OE1 GLN A 31 -1.318 -13.128 3.492 1.00 0.00 O ATOM 439 NE2 GLN A 31 -0.386 -13.646 1.516 1.00 0.00 N ATOM 0 H GLN A 31 0.096 -8.102 3.240 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.150 -8.993 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.969 -10.398 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.483 -10.840 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.145 -11.168 1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.301 -11.013 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.001 -13.312 0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.424 -14.647 1.710 1.00 0.00 H new ATOM 448 N LEU A 32 -3.432 -7.368 2.921 1.00 0.00 N ATOM 449 CA LEU A 32 -4.335 -6.558 3.732 1.00 0.00 C ATOM 450 C LEU A 32 -5.289 -7.440 4.530 1.00 0.00 C ATOM 451 O LEU A 32 -5.649 -8.543 4.115 1.00 0.00 O ATOM 452 CB LEU A 32 -5.130 -5.601 2.843 1.00 0.00 C ATOM 453 CG LEU A 32 -5.981 -6.250 1.750 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.357 -6.609 2.288 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.100 -5.325 0.547 1.00 0.00 C ATOM 0 H LEU A 32 -3.544 -7.245 1.915 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.734 -5.979 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.784 -5.005 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.431 -4.911 2.370 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.489 -7.168 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.948 -7.070 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.252 -7.309 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.858 -5.706 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.709 -5.803 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.569 -4.390 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.107 -5.119 0.147 1.00 0.00 H new ATOM 467 N PRO A 33 -5.713 -6.945 5.703 1.00 0.00 N ATOM 468 CA PRO A 33 -6.634 -7.671 6.582 1.00 0.00 C ATOM 469 C PRO A 33 -8.040 -7.761 6.001 1.00 0.00 C ATOM 470 O PRO A 33 -8.455 -6.905 5.221 1.00 0.00 O ATOM 471 CB PRO A 33 -6.637 -6.832 7.862 1.00 0.00 C ATOM 472 CG PRO A 33 -6.269 -5.459 7.416 1.00 0.00 C ATOM 473 CD PRO A 33 -5.325 -5.639 6.260 1.00 0.00 C ATOM 0 HA PRO A 33 -6.323 -8.705 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.616 -6.844 8.341 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.922 -7.217 8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.153 -4.897 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.796 -4.900 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.433 -4.841 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.285 -5.634 6.586 1.00 0.00 H new ATOM 598 N LEU A 42 -13.507 -7.158 -2.019 1.00 0.00 N ATOM 599 CA LEU A 42 -13.623 -6.066 -1.060 1.00 0.00 C ATOM 600 C LEU A 42 -14.481 -4.936 -1.621 1.00 0.00 C ATOM 601 O LEU A 42 -15.542 -4.623 -1.084 1.00 0.00 O ATOM 602 CB LEU A 42 -12.236 -5.534 -0.692 1.00 0.00 C ATOM 603 CG LEU A 42 -11.186 -6.588 -0.338 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.925 -5.926 0.196 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.743 -7.575 0.677 1.00 0.00 C ATOM 0 HA LEU A 42 -14.107 -6.453 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.862 -4.943 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.342 -4.856 0.155 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.928 -7.136 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.189 -6.691 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.515 -5.259 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.166 -5.353 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.982 -8.318 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.029 -7.042 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.617 -8.073 0.258 1.00 0.00 H new ATOM 617 N GLY A 43 -14.014 -4.329 -2.708 1.00 0.00 N ATOM 618 CA GLY A 43 -14.751 -3.243 -3.326 1.00 0.00 C ATOM 619 C GLY A 43 -15.328 -2.280 -2.307 1.00 0.00 C ATOM 620 O GLY A 43 -16.542 -2.217 -2.120 1.00 0.00 O ATOM 0 H GLY A 43 -13.138 -4.570 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.092 -2.699 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.559 -3.654 -3.931 1.00 0.00 H new ATOM 624 N GLY A 44 -14.454 -1.528 -1.644 1.00 0.00 N ATOM 625 CA GLY A 44 -14.902 -0.576 -0.645 1.00 0.00 C ATOM 626 C GLY A 44 -13.753 0.029 0.136 1.00 0.00 C ATOM 627 O GLY A 44 -13.860 1.142 0.650 1.00 0.00 O ATOM 0 H GLY A 44 -13.444 -1.562 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.465 0.220 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.585 -1.072 0.045 1.00 0.00 H new ATOM 631 N TYR A 45 -12.651 -0.707 0.229 1.00 0.00 N ATOM 632 CA TYR A 45 -11.478 -0.239 0.957 1.00 0.00 C ATOM 633 C TYR A 45 -11.038 1.134 0.457 1.00 0.00 C ATOM 634 O TYR A 45 -11.236 1.475 -0.709 1.00 0.00 O ATOM 635 CB TYR A 45 -10.329 -1.238 0.813 1.00 0.00 C ATOM 636 CG TYR A 45 -10.316 -2.304 1.885 1.00 0.00 C ATOM 637 CD1 TYR A 45 -11.330 -3.250 1.965 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.287 -2.366 2.817 1.00 0.00 C ATOM 639 CE1 TYR A 45 -11.322 -4.225 2.943 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.270 -3.339 3.798 1.00 0.00 C ATOM 641 CZ TYR A 45 -10.290 -4.266 3.857 1.00 0.00 C ATOM 642 OH TYR A 45 -10.278 -5.236 4.832 1.00 0.00 O ATOM 0 H TYR A 45 -12.546 -1.631 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.747 -0.154 2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.396 -1.717 -0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.383 -0.697 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.139 -3.223 1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.487 -1.642 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.120 -4.952 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.463 -3.374 4.515 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.630 -5.932 4.593 1.00 0.00 H new ATOM 652 N SER A 46 -10.441 1.918 1.349 1.00 0.00 N ATOM 653 CA SER A 46 -9.975 3.255 1.001 1.00 0.00 C ATOM 654 C SER A 46 -8.458 3.277 0.837 1.00 0.00 C ATOM 655 O SER A 46 -7.731 2.655 1.611 1.00 0.00 O ATOM 656 CB SER A 46 -10.398 4.261 2.073 1.00 0.00 C ATOM 657 OG SER A 46 -11.808 4.398 2.116 1.00 0.00 O ATOM 0 H SER A 46 -10.269 1.650 2.318 1.00 0.00 H new ATOM 0 HA SER A 46 -10.430 3.535 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.031 3.936 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.941 5.229 1.868 1.00 0.00 H new ATOM 0 HG SER A 46 -12.053 5.045 2.810 1.00 0.00 H new ATOM 663 N ILE A 47 -7.989 3.998 -0.176 1.00 0.00 N ATOM 664 CA ILE A 47 -6.560 4.103 -0.441 1.00 0.00 C ATOM 665 C ILE A 47 -5.782 4.385 0.840 1.00 0.00 C ATOM 666 O ILE A 47 -4.775 3.736 1.123 1.00 0.00 O ATOM 667 CB ILE A 47 -6.257 5.211 -1.467 1.00 0.00 C ATOM 668 CG1 ILE A 47 -6.988 4.933 -2.781 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.758 5.320 -1.701 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.727 3.550 -3.338 1.00 0.00 C ATOM 0 H ILE A 47 -8.578 4.518 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.244 3.144 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.613 6.161 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.060 5.056 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.686 5.676 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.560 6.107 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.260 5.560 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.379 4.371 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.277 3.423 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.660 3.429 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.055 2.800 -2.618 1.00 0.00 H new ATOM 682 N SER A 48 -6.258 5.356 1.613 1.00 0.00 N ATOM 683 CA SER A 48 -5.607 5.725 2.864 1.00 0.00 C ATOM 684 C SER A 48 -5.114 4.487 3.607 1.00 0.00 C ATOM 685 O SER A 48 -3.974 4.438 4.067 1.00 0.00 O ATOM 686 CB SER A 48 -6.570 6.517 3.751 1.00 0.00 C ATOM 687 OG SER A 48 -5.870 7.434 4.573 1.00 0.00 O ATOM 0 H SER A 48 -7.092 5.901 1.395 1.00 0.00 H new ATOM 0 HA SER A 48 -4.747 6.350 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.284 7.055 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.144 5.830 4.374 1.00 0.00 H new ATOM 0 HG SER A 48 -6.508 7.929 5.129 1.00 0.00 H new ATOM 693 N PHE A 49 -5.983 3.488 3.720 1.00 0.00 N ATOM 694 CA PHE A 49 -5.639 2.249 4.408 1.00 0.00 C ATOM 695 C PHE A 49 -4.313 1.693 3.895 1.00 0.00 C ATOM 696 O PHE A 49 -3.335 1.604 4.639 1.00 0.00 O ATOM 697 CB PHE A 49 -6.747 1.211 4.219 1.00 0.00 C ATOM 698 CG PHE A 49 -6.709 0.103 5.232 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.666 0.387 6.587 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.718 -1.223 4.829 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.631 -0.631 7.522 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.683 -2.245 5.759 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.640 -1.948 7.107 1.00 0.00 C ATOM 0 H PHE A 49 -6.931 3.512 3.344 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.535 2.469 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.715 1.710 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.666 0.782 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.660 1.415 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.753 -1.461 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.597 -0.396 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.689 -3.274 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.613 -2.745 7.836 1.00 0.00 H new ATOM 713 N LEU A 50 -4.288 1.321 2.621 1.00 0.00 N ATOM 714 CA LEU A 50 -3.083 0.772 2.007 1.00 0.00 C ATOM 715 C LEU A 50 -1.860 1.608 2.370 1.00 0.00 C ATOM 716 O LEU A 50 -0.886 1.096 2.921 1.00 0.00 O ATOM 717 CB LEU A 50 -3.243 0.713 0.487 1.00 0.00 C ATOM 718 CG LEU A 50 -3.950 -0.524 -0.066 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.267 -0.343 -1.542 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.099 -1.767 0.151 1.00 0.00 C ATOM 0 H LEU A 50 -5.088 1.389 1.992 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.937 -0.238 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.795 1.596 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.253 0.773 0.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.889 -0.653 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.770 -1.234 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.917 0.523 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.342 -0.188 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.618 -2.638 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.144 -1.648 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.925 -1.907 1.218 1.00 0.00 H new ATOM 732 N LYS A 51 -1.917 2.898 2.057 1.00 0.00 N ATOM 733 CA LYS A 51 -0.816 3.807 2.352 1.00 0.00 C ATOM 734 C LYS A 51 -0.220 3.513 3.725 1.00 0.00 C ATOM 735 O LYS A 51 0.943 3.817 3.985 1.00 0.00 O ATOM 736 CB LYS A 51 -1.296 5.259 2.293 1.00 0.00 C ATOM 737 CG LYS A 51 -1.292 5.845 0.892 1.00 0.00 C ATOM 738 CD LYS A 51 -1.948 7.215 0.859 1.00 0.00 C ATOM 739 CE LYS A 51 -1.922 7.811 -0.541 1.00 0.00 C ATOM 740 NZ LYS A 51 -3.045 8.766 -0.757 1.00 0.00 N ATOM 0 H LYS A 51 -2.715 3.338 1.599 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.042 3.656 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.306 5.316 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.660 5.869 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.266 5.923 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.817 5.173 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.979 7.134 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.433 7.883 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.973 8.324 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.979 7.010 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.395 8.676 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.815 8.552 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.710 9.738 -0.598 1.00 0.00 H new ATOM 754 N GLN A 52 -1.026 2.918 4.599 1.00 0.00 N ATOM 755 CA GLN A 52 -0.577 2.582 5.945 1.00 0.00 C ATOM 756 C GLN A 52 0.117 1.224 5.965 1.00 0.00 C ATOM 757 O GLN A 52 1.191 1.072 6.549 1.00 0.00 O ATOM 758 CB GLN A 52 -1.761 2.577 6.914 1.00 0.00 C ATOM 759 CG GLN A 52 -2.643 3.810 6.804 1.00 0.00 C ATOM 760 CD GLN A 52 -3.305 4.173 8.118 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.371 3.359 9.040 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.800 5.402 8.212 1.00 0.00 N ATOM 0 H GLN A 52 -1.992 2.659 4.399 1.00 0.00 H new ATOM 0 HA GLN A 52 0.139 3.340 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.367 1.690 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.385 2.500 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.043 4.652 6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.411 3.637 6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.723 6.044 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.257 5.703 9.073 1.00 0.00 H new ATOM 771 N LEU A 53 -0.502 0.240 5.323 1.00 0.00 N ATOM 772 CA LEU A 53 0.057 -1.107 5.266 1.00 0.00 C ATOM 773 C LEU A 53 1.436 -1.098 4.615 1.00 0.00 C ATOM 774 O LEU A 53 2.432 -1.455 5.244 1.00 0.00 O ATOM 775 CB LEU A 53 -0.880 -2.036 4.492 1.00 0.00 C ATOM 776 CG LEU A 53 -2.160 -2.455 5.216 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.284 -1.473 4.922 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.563 -3.866 4.814 1.00 0.00 C ATOM 0 H LEU A 53 -1.391 0.349 4.835 1.00 0.00 H new ATOM 0 HA LEU A 53 0.161 -1.474 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.158 -1.544 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.327 -2.936 4.224 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.968 -2.446 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.187 -1.787 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.996 -0.478 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.476 -1.450 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.476 -4.147 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.737 -3.902 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.765 -4.561 5.076 1.00 0.00 H new ATOM 790 N ILE A 54 1.485 -0.686 3.353 1.00 0.00 N ATOM 791 CA ILE A 54 2.743 -0.627 2.618 1.00 0.00 C ATOM 792 C ILE A 54 3.772 0.222 3.356 1.00 0.00 C ATOM 793 O ILE A 54 4.893 -0.221 3.606 1.00 0.00 O ATOM 794 CB ILE A 54 2.541 -0.054 1.203 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.712 -1.017 0.352 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.886 0.219 0.545 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.221 -0.777 0.446 1.00 0.00 C ATOM 0 H ILE A 54 0.669 -0.388 2.818 1.00 0.00 H new ATOM 0 HA ILE A 54 3.110 -1.650 2.538 1.00 0.00 H new ATOM 0 HB ILE A 54 1.999 0.888 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.021 -0.927 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.927 -2.040 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.727 0.624 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.444 0.939 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.452 -0.710 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.304 -1.496 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.102 -0.896 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.007 0.234 0.109 1.00 0.00 H new ATOM 809 N ALA A 55 3.382 1.444 3.705 1.00 0.00 N ATOM 810 CA ALA A 55 4.270 2.354 4.418 1.00 0.00 C ATOM 811 C ALA A 55 4.973 1.645 5.571 1.00 0.00 C ATOM 812 O ALA A 55 6.112 1.964 5.907 1.00 0.00 O ATOM 813 CB ALA A 55 3.490 3.556 4.933 1.00 0.00 C ATOM 0 H ALA A 55 2.458 1.826 3.506 1.00 0.00 H new ATOM 0 HA ALA A 55 5.032 2.700 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.165 4.228 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.039 4.084 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.707 3.218 5.612 1.00 0.00 H new ATOM 819 N GLY A 56 4.285 0.679 6.173 1.00 0.00 N ATOM 820 CA GLY A 56 4.859 -0.060 7.282 1.00 0.00 C ATOM 821 C GLY A 56 5.765 -1.185 6.822 1.00 0.00 C ATOM 822 O GLY A 56 6.733 -1.530 7.500 1.00 0.00 O ATOM 0 H GLY A 56 3.341 0.395 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.426 0.623 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.057 -0.471 7.895 1.00 0.00 H new ATOM 826 N LYS A 57 5.450 -1.760 5.666 1.00 0.00 N ATOM 827 CA LYS A 57 6.241 -2.854 5.115 1.00 0.00 C ATOM 828 C LYS A 57 7.560 -2.339 4.547 1.00 0.00 C ATOM 829 O LYS A 57 8.568 -3.047 4.550 1.00 0.00 O ATOM 830 CB LYS A 57 5.453 -3.581 4.023 1.00 0.00 C ATOM 831 CG LYS A 57 4.553 -4.683 4.555 1.00 0.00 C ATOM 832 CD LYS A 57 5.359 -5.804 5.189 1.00 0.00 C ATOM 833 CE LYS A 57 4.500 -7.032 5.447 1.00 0.00 C ATOM 834 NZ LYS A 57 5.308 -8.282 5.460 1.00 0.00 N ATOM 0 H LYS A 57 4.652 -1.486 5.093 1.00 0.00 H new ATOM 0 HA LYS A 57 6.461 -3.553 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.845 -2.856 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.153 -4.009 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.864 -4.268 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.948 -5.084 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.190 -6.071 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.791 -5.457 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.987 -6.922 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.731 -7.105 4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.686 -9.096 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.778 -8.401 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.026 -8.224 6.210 1.00 0.00 H new ATOM 848 N LEU A 58 7.547 -1.102 4.062 1.00 0.00 N ATOM 849 CA LEU A 58 8.743 -0.491 3.493 1.00 0.00 C ATOM 850 C LEU A 58 9.405 0.449 4.495 1.00 0.00 C ATOM 851 O LEU A 58 10.117 1.377 4.113 1.00 0.00 O ATOM 852 CB LEU A 58 8.390 0.273 2.215 1.00 0.00 C ATOM 853 CG LEU A 58 7.404 -0.416 1.272 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.139 0.451 0.051 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.931 -1.781 0.854 1.00 0.00 C ATOM 0 H LEU A 58 6.722 -0.503 4.051 1.00 0.00 H new ATOM 0 HA LEU A 58 9.447 -1.287 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.976 1.241 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.311 0.468 1.666 1.00 0.00 H new ATOM 0 HG LEU A 58 6.463 -0.559 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.435 -0.056 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.718 1.405 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.074 0.625 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.216 -2.257 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.886 -1.661 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.069 -2.404 1.738 1.00 0.00 H new ATOM 867 N GLN A 59 9.166 0.200 5.779 1.00 0.00 N ATOM 868 CA GLN A 59 9.740 1.024 6.836 1.00 0.00 C ATOM 869 C GLN A 59 11.235 1.230 6.614 1.00 0.00 C ATOM 870 O GLN A 59 11.831 2.157 7.161 1.00 0.00 O ATOM 871 CB GLN A 59 9.500 0.379 8.202 1.00 0.00 C ATOM 872 CG GLN A 59 8.137 0.700 8.794 1.00 0.00 C ATOM 873 CD GLN A 59 8.151 1.953 9.647 1.00 0.00 C ATOM 874 OE1 GLN A 59 9.201 2.561 9.859 1.00 0.00 O ATOM 875 NE2 GLN A 59 6.983 2.347 10.140 1.00 0.00 N ATOM 0 H GLN A 59 8.579 -0.565 6.112 1.00 0.00 H new ATOM 0 HA GLN A 59 9.249 1.997 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.600 -0.702 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.275 0.711 8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.415 0.823 7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.800 -0.142 9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.138 1.812 9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.931 3.184 10.720 1.00 0.00 H new ATOM 884 N GLU A 60 11.834 0.359 5.808 1.00 0.00 N ATOM 885 CA GLU A 60 13.260 0.446 5.515 1.00 0.00 C ATOM 886 C GLU A 60 13.588 1.747 4.789 1.00 0.00 C ATOM 887 O GLU A 60 14.624 2.365 5.037 1.00 0.00 O ATOM 888 CB GLU A 60 13.703 -0.749 4.668 1.00 0.00 C ATOM 889 CG GLU A 60 13.044 -0.804 3.301 1.00 0.00 C ATOM 890 CD GLU A 60 13.062 -2.196 2.700 1.00 0.00 C ATOM 891 OE1 GLU A 60 13.984 -2.972 3.027 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.153 -2.509 1.902 1.00 0.00 O ATOM 0 H GLU A 60 11.355 -0.414 5.347 1.00 0.00 H new ATOM 0 HA GLU A 60 13.801 0.432 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.785 -0.711 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.478 -1.669 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.012 -0.462 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.554 -0.115 2.628 1.00 0.00 H new ATOM 899 N SER A 61 12.698 2.158 3.891 1.00 0.00 N ATOM 900 CA SER A 61 12.895 3.383 3.125 1.00 0.00 C ATOM 901 C SER A 61 11.816 4.410 3.457 1.00 0.00 C ATOM 902 O SER A 61 12.104 5.591 3.649 1.00 0.00 O ATOM 903 CB SER A 61 12.882 3.080 1.626 1.00 0.00 C ATOM 904 OG SER A 61 14.164 2.676 1.177 1.00 0.00 O ATOM 0 H SER A 61 11.834 1.661 3.676 1.00 0.00 H new ATOM 0 HA SER A 61 13.865 3.800 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.156 2.295 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.562 3.965 1.076 1.00 0.00 H new ATOM 0 HG SER A 61 14.234 2.823 0.211 1.00 0.00 H new ATOM 910 N VAL A 62 10.570 3.950 3.523 1.00 0.00 N ATOM 911 CA VAL A 62 9.447 4.826 3.832 1.00 0.00 C ATOM 912 C VAL A 62 9.413 5.173 5.316 1.00 0.00 C ATOM 913 O VAL A 62 9.212 4.314 6.176 1.00 0.00 O ATOM 914 CB VAL A 62 8.106 4.180 3.436 1.00 0.00 C ATOM 915 CG1 VAL A 62 6.942 5.063 3.861 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.065 3.914 1.939 1.00 0.00 C ATOM 0 H VAL A 62 10.314 2.975 3.366 1.00 0.00 H new ATOM 0 HA VAL A 62 9.588 5.738 3.252 1.00 0.00 H new ATOM 0 HB VAL A 62 8.015 3.225 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.003 4.591 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.964 5.198 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.025 6.034 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.111 3.457 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.178 4.854 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.877 3.239 1.667 1.00 0.00 H new ATOM 926 N PRO A 63 9.613 6.462 5.628 1.00 0.00 N ATOM 927 CA PRO A 63 9.609 6.953 7.009 1.00 0.00 C ATOM 928 C PRO A 63 8.218 6.917 7.633 1.00 0.00 C ATOM 929 O PRO A 63 8.033 6.388 8.729 1.00 0.00 O ATOM 930 CB PRO A 63 10.096 8.398 6.873 1.00 0.00 C ATOM 931 CG PRO A 63 9.737 8.790 5.482 1.00 0.00 C ATOM 932 CD PRO A 63 9.858 7.540 4.655 1.00 0.00 C ATOM 0 HA PRO A 63 10.230 6.339 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.615 9.048 7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.171 8.471 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.724 9.190 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.404 9.569 5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.130 7.523 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.844 7.454 4.199 1.00 0.00 H new ATOM 940 N ASP A 64 7.243 7.481 6.928 1.00 0.00 N ATOM 941 CA ASP A 64 5.868 7.511 7.412 1.00 0.00 C ATOM 942 C ASP A 64 4.881 7.415 6.253 1.00 0.00 C ATOM 943 O ASP A 64 5.181 7.786 5.118 1.00 0.00 O ATOM 944 CB ASP A 64 5.614 8.791 8.209 1.00 0.00 C ATOM 945 CG ASP A 64 5.916 8.624 9.685 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.538 7.578 10.253 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.531 9.539 10.273 1.00 0.00 O ATOM 0 H ASP A 64 7.380 7.924 6.019 1.00 0.00 H new ATOM 0 HA ASP A 64 5.720 6.650 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.228 9.595 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.574 9.092 8.086 1.00 0.00 H new ATOM 952 N PRO A 65 3.676 6.903 6.543 1.00 0.00 N ATOM 953 CA PRO A 65 2.620 6.745 5.537 1.00 0.00 C ATOM 954 C PRO A 65 2.051 8.084 5.079 1.00 0.00 C ATOM 955 O PRO A 65 1.362 8.160 4.062 1.00 0.00 O ATOM 956 CB PRO A 65 1.551 5.933 6.271 1.00 0.00 C ATOM 957 CG PRO A 65 1.769 6.234 7.713 1.00 0.00 C ATOM 958 CD PRO A 65 3.249 6.441 7.874 1.00 0.00 C ATOM 0 HA PRO A 65 2.989 6.268 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.549 6.221 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.656 4.867 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.216 7.124 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.419 5.414 8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.470 7.179 8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.755 5.519 8.161 1.00 0.00 H new ATOM 966 N GLU A 66 2.345 9.137 5.835 1.00 0.00 N ATOM 967 CA GLU A 66 1.861 10.472 5.505 1.00 0.00 C ATOM 968 C GLU A 66 2.887 11.231 4.668 1.00 0.00 C ATOM 969 O GLU A 66 2.540 12.148 3.922 1.00 0.00 O ATOM 970 CB GLU A 66 1.550 11.256 6.782 1.00 0.00 C ATOM 971 CG GLU A 66 0.617 10.525 7.733 1.00 0.00 C ATOM 972 CD GLU A 66 -0.222 11.471 8.570 1.00 0.00 C ATOM 973 OE1 GLU A 66 -1.157 12.083 8.013 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.056 11.598 9.780 1.00 0.00 O ATOM 0 H GLU A 66 2.915 9.091 6.679 1.00 0.00 H new ATOM 0 HA GLU A 66 0.947 10.365 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.484 11.476 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.103 12.212 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.041 9.872 7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.204 9.886 8.393 1.00 0.00 H new ATOM 981 N LEU A 67 4.150 10.842 4.796 1.00 0.00 N ATOM 982 CA LEU A 67 5.228 11.484 4.051 1.00 0.00 C ATOM 983 C LEU A 67 5.491 10.757 2.737 1.00 0.00 C ATOM 984 O LEU A 67 6.570 10.876 2.156 1.00 0.00 O ATOM 985 CB LEU A 67 6.505 11.520 4.892 1.00 0.00 C ATOM 986 CG LEU A 67 6.343 11.988 6.339 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.653 11.840 7.098 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.860 13.430 6.382 1.00 0.00 C ATOM 0 H LEU A 67 4.454 10.085 5.409 1.00 0.00 H new ATOM 0 HA LEU A 67 4.921 12.505 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.938 10.520 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.223 12.174 4.398 1.00 0.00 H new ATOM 0 HG LEU A 67 5.594 11.360 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.518 12.178 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.958 10.793 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.423 12.442 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.750 13.746 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.585 14.072 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.898 13.507 5.876 1.00 0.00 H new ATOM 1000 N ILE A 68 4.498 10.005 2.273 1.00 0.00 N ATOM 1001 CA ILE A 68 4.622 9.262 1.026 1.00 0.00 C ATOM 1002 C ILE A 68 3.309 9.269 0.249 1.00 0.00 C ATOM 1003 O ILE A 68 2.320 9.855 0.688 1.00 0.00 O ATOM 1004 CB ILE A 68 5.046 7.803 1.280 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.115 7.148 2.302 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.489 7.748 1.759 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.916 6.469 1.678 1.00 0.00 C ATOM 0 H ILE A 68 3.599 9.895 2.742 1.00 0.00 H new ATOM 0 HA ILE A 68 5.393 9.759 0.438 1.00 0.00 H new ATOM 0 HB ILE A 68 4.972 7.250 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.679 6.414 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.769 7.906 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.775 6.711 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.141 8.181 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.586 8.313 2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.300 6.027 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.329 7.203 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.254 5.688 0.997 1.00 0.00 H new ATOM 1019 N ASP A 69 3.308 8.613 -0.906 1.00 0.00 N ATOM 1020 CA ASP A 69 2.117 8.541 -1.743 1.00 0.00 C ATOM 1021 C ASP A 69 2.056 7.212 -2.489 1.00 0.00 C ATOM 1022 O ASP A 69 3.084 6.583 -2.743 1.00 0.00 O ATOM 1023 CB ASP A 69 2.097 9.701 -2.740 1.00 0.00 C ATOM 1024 CG ASP A 69 2.604 10.995 -2.133 1.00 0.00 C ATOM 1025 OD1 ASP A 69 1.787 11.732 -1.543 1.00 0.00 O ATOM 1026 OD2 ASP A 69 3.816 11.270 -2.249 1.00 0.00 O ATOM 0 H ASP A 69 4.119 8.123 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 69 1.243 8.614 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.709 9.444 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.079 9.847 -3.102 1.00 0.00 H new ATOM 1031 N LEU A 70 0.846 6.790 -2.838 1.00 0.00 N ATOM 1032 CA LEU A 70 0.650 5.534 -3.554 1.00 0.00 C ATOM 1033 C LEU A 70 0.402 5.786 -5.038 1.00 0.00 C ATOM 1034 O LEU A 70 -0.445 6.601 -5.406 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.524 4.759 -2.954 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.513 3.246 -3.175 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.792 2.643 -2.678 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.701 2.596 -2.481 1.00 0.00 C ATOM 0 H LEU A 70 -0.015 7.299 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 70 1.559 4.941 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.548 4.949 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.448 5.160 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.594 3.055 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.781 1.566 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.627 3.085 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.904 2.845 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.676 1.519 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.652 2.797 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.627 3.005 -2.885 1.00 0.00 H new ATOM 1050 N ILE A 71 1.145 5.081 -5.885 1.00 0.00 N ATOM 1051 CA ILE A 71 1.002 5.227 -7.328 1.00 0.00 C ATOM 1052 C ILE A 71 0.506 3.933 -7.965 1.00 0.00 C ATOM 1053 O ILE A 71 1.099 2.870 -7.778 1.00 0.00 O ATOM 1054 CB ILE A 71 2.334 5.633 -7.987 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.932 6.847 -7.274 1.00 0.00 C ATOM 1056 CG2 ILE A 71 2.126 5.928 -9.465 1.00 0.00 C ATOM 1057 CD1 ILE A 71 2.019 8.054 -7.268 1.00 0.00 C ATOM 0 H ILE A 71 1.851 4.404 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 71 0.268 6.016 -7.495 1.00 0.00 H new ATOM 0 HB ILE A 71 3.034 4.802 -7.898 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.168 6.575 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.872 7.115 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.076 6.213 -9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.741 5.038 -9.963 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.412 6.744 -9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.507 8.877 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.803 8.352 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.088 7.803 -6.760 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.583 4.032 -8.719 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.159 2.869 -9.384 1.00 0.00 C ATOM 1071 C TYR A 72 -1.485 3.181 -10.842 1.00 0.00 C ATOM 1072 O TYR A 72 -2.045 4.232 -11.153 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.424 2.413 -8.654 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.181 1.322 -9.378 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.737 0.006 -9.350 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.339 1.608 -10.090 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.425 -0.994 -10.010 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -5.034 0.615 -10.752 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.573 -0.684 -10.709 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.262 -1.677 -11.369 1.00 0.00 O ATOM 0 H TYR A 72 -1.084 4.905 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.423 2.066 -9.359 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.152 2.057 -7.661 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.083 3.270 -8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.839 -0.240 -8.803 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.702 2.624 -10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.066 -2.012 -9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.933 0.854 -11.300 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.048 -1.292 -11.811 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.129 2.259 -11.730 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.383 2.434 -13.156 1.00 0.00 C ATOM 1092 C CYS A 73 -0.750 3.725 -13.666 1.00 0.00 C ATOM 1093 O CYS A 73 -1.222 4.318 -14.636 1.00 0.00 O ATOM 1094 CB CYS A 73 -2.887 2.446 -13.430 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.329 2.049 -15.138 1.00 0.00 S ATOM 0 H CYS A 73 -0.664 1.384 -11.488 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.932 1.595 -13.686 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.372 1.732 -12.765 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.283 3.431 -13.183 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.622 2.082 -15.271 1.00 0.00 H new ATOM 1101 N GLY A 74 0.320 4.156 -13.005 1.00 0.00 N ATOM 1102 CA GLY A 74 0.998 5.375 -13.405 1.00 0.00 C ATOM 1103 C GLY A 74 0.264 6.622 -12.952 1.00 0.00 C ATOM 1104 O GLY A 74 0.479 7.707 -13.492 1.00 0.00 O ATOM 0 H GLY A 74 0.729 3.683 -12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.006 5.379 -12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.100 5.391 -14.490 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.605 6.467 -11.959 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.375 7.589 -11.436 1.00 0.00 C ATOM 1110 C ARG A 75 -1.544 7.475 -9.924 1.00 0.00 C ATOM 1111 O ARG A 75 -1.901 6.417 -9.406 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.747 7.652 -12.110 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.564 6.380 -11.949 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.047 6.640 -12.161 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.430 6.511 -13.564 1.00 0.00 N ATOM 1116 CZ ARG A 75 -5.643 5.345 -14.164 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -5.511 4.213 -13.486 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -5.988 5.310 -15.445 1.00 0.00 N ATOM 0 H ARG A 75 -0.794 5.576 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.828 8.506 -11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.308 8.489 -11.695 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.612 7.855 -13.172 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.219 5.632 -12.663 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.405 5.967 -10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.627 5.939 -11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.293 7.642 -11.809 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.540 7.363 -14.114 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.245 4.236 -12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.675 3.319 -13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.090 6.179 -15.970 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.151 4.414 -15.905 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.285 8.572 -9.220 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.409 8.597 -7.768 1.00 0.00 C ATOM 1134 C LYS A 76 -2.846 8.321 -7.339 1.00 0.00 C ATOM 1135 O LYS A 76 -3.789 8.580 -8.088 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.953 9.951 -7.219 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.599 9.921 -5.743 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.887 11.255 -5.073 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.382 11.481 -4.902 1.00 0.00 C ATOM 1140 NZ LYS A 76 -2.679 12.836 -4.360 1.00 0.00 N ATOM 0 H LYS A 76 -0.988 9.456 -9.633 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.770 7.813 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.085 10.290 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.744 10.684 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.167 9.134 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.456 9.674 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.399 11.287 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.462 12.062 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.880 11.357 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.790 10.724 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.708 12.951 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.224 12.946 -3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.313 13.559 -5.012 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.008 7.795 -6.130 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.331 7.485 -5.600 1.00 0.00 C ATOM 1156 C LEU A 77 -4.656 8.365 -4.397 1.00 0.00 C ATOM 1157 O LEU A 77 -3.862 8.477 -3.463 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.412 6.010 -5.204 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.772 5.018 -6.177 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.775 3.616 -5.588 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.499 5.039 -7.514 1.00 0.00 C ATOM 0 H LEU A 77 -2.239 7.574 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.064 7.685 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.939 5.889 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.462 5.744 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.737 5.317 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.316 2.924 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.210 3.612 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.801 3.306 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.031 4.328 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.543 4.765 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.444 6.040 -7.942 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.830 8.987 -4.426 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.263 9.854 -3.337 1.00 0.00 C ATOM 1175 C LYS A 78 -6.854 9.037 -2.192 1.00 0.00 C ATOM 1176 O LYS A 78 -7.279 7.898 -2.385 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.296 10.865 -3.842 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.680 12.130 -4.413 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.695 13.258 -4.492 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.017 14.619 -4.495 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.896 15.676 -5.069 1.00 0.00 N ATOM 0 H LYS A 78 -6.499 8.907 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.390 10.390 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.910 10.392 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.961 11.133 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.839 12.439 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.283 11.926 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.294 13.147 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.379 13.193 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.742 14.890 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.093 14.563 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.397 16.589 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.138 15.431 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.767 15.747 -4.505 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.878 9.626 -1.002 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.419 8.953 0.173 1.00 0.00 C ATOM 1197 C ASP A 79 -8.944 9.013 0.180 1.00 0.00 C ATOM 1198 O ASP A 79 -9.591 8.482 1.083 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.866 9.587 1.451 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.649 10.814 1.874 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -8.647 10.656 2.608 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.266 11.932 1.471 1.00 0.00 O ATOM 0 H ASP A 79 -6.529 10.568 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.114 7.907 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.885 8.852 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.823 9.861 1.295 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.509 9.663 -0.830 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.958 9.793 -0.941 1.00 0.00 C ATOM 1209 C ASP A 80 -11.517 8.793 -1.948 1.00 0.00 C ATOM 1210 O ASP A 80 -12.713 8.797 -2.241 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.334 11.217 -1.355 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.270 12.192 -0.196 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -12.173 12.149 0.665 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -10.318 12.999 -0.151 1.00 0.00 O ATOM 0 H ASP A 80 -8.987 10.109 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.393 9.580 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.662 11.552 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.341 11.217 -1.771 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.645 7.939 -2.474 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.052 6.935 -3.449 1.00 0.00 C ATOM 1221 C GLN A 81 -11.037 5.540 -2.833 1.00 0.00 C ATOM 1222 O GLN A 81 -10.667 5.366 -1.671 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.132 6.976 -4.670 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.041 8.349 -5.317 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.330 8.758 -6.002 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.422 8.533 -5.480 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.210 9.363 -7.178 1.00 0.00 N ATOM 0 H GLN A 81 -9.652 7.923 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.071 7.163 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.133 6.657 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.490 6.258 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.787 9.088 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.231 8.350 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.285 9.530 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.043 9.661 -7.685 1.00 0.00 H new ATOM 1236 N THR A 82 -11.441 4.546 -3.619 1.00 0.00 N ATOM 1237 CA THR A 82 -11.476 3.167 -3.150 1.00 0.00 C ATOM 1238 C THR A 82 -10.926 2.214 -4.206 1.00 0.00 C ATOM 1239 O THR A 82 -10.778 2.582 -5.372 1.00 0.00 O ATOM 1240 CB THR A 82 -12.907 2.734 -2.780 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.802 3.029 -3.858 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.376 3.441 -1.517 1.00 0.00 C ATOM 0 H THR A 82 -11.748 4.671 -4.583 1.00 0.00 H new ATOM 0 HA THR A 82 -10.849 3.120 -2.259 1.00 0.00 H new ATOM 0 HB THR A 82 -12.902 1.660 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.709 2.749 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.389 3.120 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.709 3.192 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.366 4.519 -1.678 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.626 0.988 -3.791 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.093 -0.019 -4.701 1.00 0.00 C ATOM 1252 C LEU A 83 -10.997 -0.186 -5.918 1.00 0.00 C ATOM 1253 O LEU A 83 -10.546 -0.076 -7.059 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.939 -1.358 -3.979 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.765 -1.465 -3.004 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.482 -1.800 -3.749 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.606 -0.171 -2.219 1.00 0.00 C ATOM 0 H LEU A 83 -10.743 0.668 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.114 0.317 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.859 -1.561 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.835 -2.142 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.973 -2.271 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.658 -1.872 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.600 -2.752 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.268 -1.016 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.766 -0.264 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.420 0.652 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.518 0.027 -1.655 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.275 -0.448 -5.668 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.244 -0.627 -6.743 1.00 0.00 C ATOM 1271 C ASP A 84 -13.345 0.633 -7.598 1.00 0.00 C ATOM 1272 O ASP A 84 -13.500 0.557 -8.817 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.617 -0.979 -6.168 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.754 -0.508 -7.053 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.994 0.716 -7.108 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.404 -1.363 -7.690 1.00 0.00 O ATOM 0 H ASP A 84 -12.664 -0.541 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.902 -1.447 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.686 -2.059 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.720 -0.530 -5.180 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.256 1.790 -6.951 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.340 3.066 -7.651 1.00 0.00 C ATOM 1283 C PHE A 85 -12.368 3.106 -8.827 1.00 0.00 C ATOM 1284 O PHE A 85 -12.743 3.457 -9.945 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.043 4.220 -6.691 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.216 5.576 -7.312 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.378 5.997 -8.332 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.216 6.430 -6.876 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.535 7.245 -8.905 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.378 7.679 -7.445 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.536 8.087 -8.461 1.00 0.00 C ATOM 0 H PHE A 85 -13.126 1.870 -5.943 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.354 3.174 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.700 4.140 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.020 4.124 -6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.594 5.343 -8.683 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.877 6.116 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.875 7.562 -9.699 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.162 8.335 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.660 9.063 -8.907 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.117 2.744 -8.564 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.089 2.740 -9.599 1.00 0.00 C ATOM 1303 C TYR A 86 -10.130 1.445 -10.403 1.00 0.00 C ATOM 1304 O TYR A 86 -9.755 1.416 -11.575 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.705 2.922 -8.973 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.352 4.365 -8.693 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.962 5.217 -9.719 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.409 4.877 -7.403 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.637 6.536 -9.468 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.088 6.196 -7.143 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.702 7.021 -8.178 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.381 8.335 -7.924 1.00 0.00 O ATOM 0 H TYR A 86 -10.790 2.450 -7.644 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.287 3.572 -10.275 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.660 2.358 -8.041 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.955 2.496 -9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.912 4.841 -10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.709 4.233 -6.589 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.334 7.184 -10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.139 6.578 -6.134 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.186 8.889 -8.000 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.589 0.373 -9.764 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.671 -0.912 -10.434 1.00 0.00 C ATOM 1324 C GLY A 87 -9.525 -1.832 -10.066 1.00 0.00 C ATOM 1325 O GLY A 87 -9.284 -2.834 -10.739 1.00 0.00 O ATOM 0 H GLY A 87 -10.905 0.372 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.615 -1.392 -10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.676 -0.756 -11.513 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.814 -1.491 -8.996 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.686 -2.294 -8.541 1.00 0.00 C ATOM 1331 C ILE A 88 -8.123 -3.717 -8.208 1.00 0.00 C ATOM 1332 O ILE A 88 -9.268 -3.950 -7.821 1.00 0.00 O ATOM 1333 CB ILE A 88 -7.015 -1.672 -7.302 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.552 -0.246 -7.609 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.843 -2.529 -6.848 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.450 0.633 -6.382 1.00 0.00 C ATOM 0 H ILE A 88 -8.999 -0.664 -8.428 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.966 -2.319 -9.359 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.745 -1.631 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.579 -0.286 -8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.247 0.209 -8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.379 -2.076 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.199 -3.528 -6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.110 -2.598 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.117 1.629 -6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.426 0.703 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.733 0.201 -5.684 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.203 -4.663 -8.359 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.493 -6.063 -8.073 1.00 0.00 C ATOM 1350 C GLN A 89 -6.335 -6.718 -7.326 1.00 0.00 C ATOM 1351 O GLN A 89 -5.196 -6.253 -7.368 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.773 -6.824 -9.370 1.00 0.00 C ATOM 1353 CG GLN A 89 -9.223 -6.744 -9.821 1.00 0.00 C ATOM 1354 CD GLN A 89 -9.374 -6.856 -11.325 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -9.078 -7.896 -11.915 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.837 -5.782 -11.955 1.00 0.00 N ATOM 0 H GLN A 89 -6.250 -4.486 -8.678 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.379 -6.101 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.133 -6.428 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.501 -7.871 -9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.793 -7.540 -9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.652 -5.800 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.070 -4.941 -11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.960 -5.798 -12.967 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.632 -7.823 -6.626 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.628 -8.565 -5.856 1.00 0.00 C ATOM 1367 C PRO A 90 -4.626 -9.283 -6.752 1.00 0.00 C ATOM 1368 O PRO A 90 -4.748 -10.482 -7.000 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.464 -9.577 -5.068 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.700 -9.761 -5.879 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.968 -8.433 -6.531 1.00 0.00 C ATOM 0 HA PRO A 90 -5.027 -7.908 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.930 -10.519 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.697 -9.206 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.564 -10.542 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.538 -10.064 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.426 -8.553 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.647 -7.823 -5.935 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.633 -8.542 -7.235 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.623 -9.127 -8.098 1.00 0.00 C ATOM 1381 C GLY A 91 -1.743 -8.080 -8.752 1.00 0.00 C ATOM 1382 O GLY A 91 -0.594 -8.354 -9.099 1.00 0.00 O ATOM 0 H GLY A 91 -3.510 -7.548 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.002 -9.807 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.110 -9.722 -8.871 1.00 0.00 H new ATOM 1386 N SER A 92 -2.283 -6.878 -8.923 1.00 0.00 N ATOM 1387 CA SER A 92 -1.541 -5.787 -9.545 1.00 0.00 C ATOM 1388 C SER A 92 -0.367 -5.360 -8.669 1.00 0.00 C ATOM 1389 O SER A 92 -0.110 -5.954 -7.621 1.00 0.00 O ATOM 1390 CB SER A 92 -2.464 -4.594 -9.798 1.00 0.00 C ATOM 1391 OG SER A 92 -3.651 -4.998 -10.458 1.00 0.00 O ATOM 0 H SER A 92 -3.232 -6.634 -8.640 1.00 0.00 H new ATOM 0 HA SER A 92 -1.150 -6.143 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.715 -4.117 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.944 -3.850 -10.401 1.00 0.00 H new ATOM 0 HG SER A 92 -4.225 -4.217 -10.606 1.00 0.00 H new ATOM 1397 N THR A 93 0.344 -4.325 -9.106 1.00 0.00 N ATOM 1398 CA THR A 93 1.491 -3.818 -8.365 1.00 0.00 C ATOM 1399 C THR A 93 1.459 -2.297 -8.274 1.00 0.00 C ATOM 1400 O THR A 93 1.239 -1.610 -9.272 1.00 0.00 O ATOM 1401 CB THR A 93 2.818 -4.254 -9.015 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.770 -5.648 -9.340 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.991 -3.985 -8.085 1.00 0.00 C ATOM 0 H THR A 93 0.145 -3.822 -9.970 1.00 0.00 H new ATOM 0 HA THR A 93 1.430 -4.241 -7.362 1.00 0.00 H new ATOM 0 HB THR A 93 2.958 -3.673 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.617 -5.917 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.917 -4.301 -8.566 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.043 -2.919 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.855 -4.542 -7.158 1.00 0.00 H new ATOM 1411 N VAL A 94 1.679 -1.776 -7.071 1.00 0.00 N ATOM 1412 CA VAL A 94 1.677 -0.334 -6.851 1.00 0.00 C ATOM 1413 C VAL A 94 3.067 0.166 -6.475 1.00 0.00 C ATOM 1414 O VAL A 94 3.883 -0.581 -5.935 1.00 0.00 O ATOM 1415 CB VAL A 94 0.683 0.062 -5.743 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.735 -0.323 -6.134 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.074 -0.583 -4.421 1.00 0.00 C ATOM 0 H VAL A 94 1.861 -2.330 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 94 1.369 0.130 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 94 0.718 1.144 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.423 -0.035 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.010 0.190 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.790 -1.401 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.361 -0.292 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.069 -1.668 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.072 -0.252 -4.136 1.00 0.00 H new ATOM 1427 N HIS A 95 3.331 1.437 -6.764 1.00 0.00 N ATOM 1428 CA HIS A 95 4.623 2.039 -6.455 1.00 0.00 C ATOM 1429 C HIS A 95 4.461 3.204 -5.484 1.00 0.00 C ATOM 1430 O HIS A 95 3.575 4.044 -5.647 1.00 0.00 O ATOM 1431 CB HIS A 95 5.305 2.519 -7.736 1.00 0.00 C ATOM 1432 CG HIS A 95 5.698 1.406 -8.658 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.920 0.770 -8.591 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.023 0.815 -9.672 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.980 -0.163 -9.525 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.841 -0.156 -10.194 1.00 0.00 N ATOM 0 H HIS A 95 2.667 2.069 -7.212 1.00 0.00 H new ATOM 0 HA HIS A 95 5.246 1.280 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.634 3.197 -8.263 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.194 3.092 -7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.027 1.062 -10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.818 -0.819 -9.710 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.607 -0.772 -10.972 1.00 0.00 H new ATOM 1445 N VAL A 96 5.322 3.249 -4.472 1.00 0.00 N ATOM 1446 CA VAL A 96 5.274 4.312 -3.474 1.00 0.00 C ATOM 1447 C VAL A 96 6.168 5.481 -3.874 1.00 0.00 C ATOM 1448 O VAL A 96 7.341 5.297 -4.200 1.00 0.00 O ATOM 1449 CB VAL A 96 5.707 3.800 -2.088 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.072 4.963 -1.179 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.607 2.952 -1.466 1.00 0.00 C ATOM 0 H VAL A 96 6.061 2.562 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 96 4.239 4.651 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 96 6.591 3.175 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.375 4.581 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.895 5.526 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.208 5.617 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.930 2.598 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.704 3.552 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.398 2.097 -2.110 1.00 0.00 H new ATOM 1461 N LEU A 97 5.606 6.684 -3.846 1.00 0.00 N ATOM 1462 CA LEU A 97 6.351 7.885 -4.204 1.00 0.00 C ATOM 1463 C LEU A 97 6.485 8.821 -3.007 1.00 0.00 C ATOM 1464 O LEU A 97 5.492 9.180 -2.374 1.00 0.00 O ATOM 1465 CB LEU A 97 5.661 8.612 -5.360 1.00 0.00 C ATOM 1466 CG LEU A 97 6.567 9.452 -6.261 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.450 10.367 -5.426 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.415 8.555 -7.151 1.00 0.00 C ATOM 0 H LEU A 97 4.636 6.854 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 97 7.350 7.582 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.154 7.871 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.891 9.262 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 97 5.938 10.072 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.088 10.957 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.825 11.034 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.071 9.766 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.053 9.170 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.035 7.908 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.765 7.943 -7.776 1.00 0.00 H new ATOM 1480 N ARG A 98 7.717 9.214 -2.704 1.00 0.00 N ATOM 1481 CA ARG A 98 7.980 10.110 -1.584 1.00 0.00 C ATOM 1482 C ARG A 98 7.645 11.552 -1.951 1.00 0.00 C ATOM 1483 O ARG A 98 8.157 12.090 -2.933 1.00 0.00 O ATOM 1484 CB ARG A 98 9.445 10.008 -1.156 1.00 0.00 C ATOM 1485 CG ARG A 98 9.711 8.898 -0.152 1.00 0.00 C ATOM 1486 CD ARG A 98 9.466 9.366 1.274 1.00 0.00 C ATOM 1487 NE ARG A 98 10.616 10.081 1.821 1.00 0.00 N ATOM 1488 CZ ARG A 98 10.565 10.820 2.923 1.00 0.00 C ATOM 1489 NH1 ARG A 98 9.428 10.941 3.593 1.00 0.00 N ATOM 1490 NH2 ARG A 98 11.655 11.441 3.358 1.00 0.00 N ATOM 0 H ARG A 98 8.550 8.926 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 98 7.343 9.808 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.062 9.843 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.755 10.959 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.068 8.045 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.741 8.555 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.591 10.016 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.241 8.506 1.904 1.00 0.00 H new ATOM 0 HE ARG A 98 11.507 10.009 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.588 10.466 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.393 11.510 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.532 11.351 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.615 12.009 4.205 1.00 0.00 H new