USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc=-0.00482 USER MOD Set 1.2: A 104 MET CE :methyl -167:sc= -1.34 (180deg=-1.44) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-4.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00475 K(o=-0.0048,f=-0.68) USER MOD Single : A 31 HIS : no HE2:sc= -4.4 K(o=-4.4,f=-6.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -0.0146 (180deg=-0.174) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.31) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1) USER MOD Single : A 58 ASN : amide:sc= -0.041 K(o=-0.041,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -70:sc= 0.428 USER MOD Single : A 69 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.1) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -4:sc= 0.832 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc=-0.000144 USER MOD Single : A 87 MET CE :methyl 154:sc= -5.32! (180deg=-6.15!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 95:sc= 1.25 USER MOD Single : A 94 CYS SG : rot 30:sc= -2.26! USER MOD Single : A 95 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.47) USER MOD Single : A 98 GLN : amide:sc=-0.00929 K(o=-0.0093,f=-0.71) USER MOD Single : A 99 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.7!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 70:sc= 0.11 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0406) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 116 MET CE :methyl -160:sc=-0.00907 (180deg=-0.475) USER MOD Single : A 119 SER OG : rot -45:sc= 1.14 USER MOD Single : A 120 SER OG : rot 76:sc= 0.164 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.135 K(o=-0.14,f=-2!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 15.835 -2.374 9.950 1.00 0.00 N ATOM 67 CA ILE A 8 14.551 -1.779 9.601 1.00 0.00 C ATOM 68 C ILE A 8 13.857 -2.575 8.501 1.00 0.00 C ATOM 69 O ILE A 8 14.208 -2.492 7.324 1.00 0.00 O ATOM 70 CB ILE A 8 14.714 -0.319 9.138 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.210 0.553 10.293 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.397 0.213 8.593 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.199 0.714 11.406 1.00 0.00 C ATOM 0 HA ILE A 8 13.939 -1.799 10.502 1.00 0.00 H new ATOM 0 HB ILE A 8 15.455 -0.287 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.122 0.117 10.701 1.00 0.00 H new ATOM 0 HG13 ILE A 8 15.473 1.538 9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.528 1.246 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.082 -0.395 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.637 0.170 9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.619 1.344 12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.295 1.179 11.012 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.954 -0.264 11.819 1.00 0.00 H new ATOM 85 N PRO A 9 12.846 -3.366 8.892 1.00 0.00 N ATOM 86 CA PRO A 9 12.079 -4.192 7.954 1.00 0.00 C ATOM 87 C PRO A 9 11.198 -3.355 7.032 1.00 0.00 C ATOM 88 O PRO A 9 10.175 -2.819 7.456 1.00 0.00 O ATOM 89 CB PRO A 9 11.218 -5.063 8.871 1.00 0.00 C ATOM 90 CG PRO A 9 11.085 -4.275 10.128 1.00 0.00 C ATOM 91 CD PRO A 9 12.374 -3.516 10.278 1.00 0.00 C ATOM 0 HA PRO A 9 12.727 -4.762 7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.244 -5.264 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.689 -6.028 9.057 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.235 -3.594 10.074 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.916 -4.929 10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.217 -2.549 10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.092 -4.061 10.890 1.00 0.00 H new ATOM 99 N GLU A 10 11.603 -3.249 5.770 1.00 0.00 N ATOM 100 CA GLU A 10 10.849 -2.476 4.790 1.00 0.00 C ATOM 101 C GLU A 10 10.450 -3.347 3.601 1.00 0.00 C ATOM 102 O GLU A 10 11.058 -4.388 3.349 1.00 0.00 O ATOM 103 CB GLU A 10 11.673 -1.281 4.307 1.00 0.00 C ATOM 104 CG GLU A 10 12.307 -0.484 5.434 1.00 0.00 C ATOM 105 CD GLU A 10 13.575 0.228 5.003 1.00 0.00 C ATOM 106 OE1 GLU A 10 13.479 1.165 4.183 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.663 -0.152 5.484 1.00 0.00 O ATOM 0 H GLU A 10 12.447 -3.688 5.403 1.00 0.00 H new ATOM 0 HA GLU A 10 9.942 -2.111 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.457 -1.637 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.032 -0.621 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.590 0.250 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.534 -1.153 6.264 1.00 0.00 H new ATOM 114 N LEU A 11 9.426 -2.914 2.875 1.00 0.00 N ATOM 115 CA LEU A 11 8.944 -3.653 1.713 1.00 0.00 C ATOM 116 C LEU A 11 9.349 -2.955 0.419 1.00 0.00 C ATOM 117 O LEU A 11 9.544 -1.740 0.390 1.00 0.00 O ATOM 118 CB LEU A 11 7.423 -3.801 1.773 1.00 0.00 C ATOM 119 CG LEU A 11 6.897 -5.051 2.478 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.549 -4.773 3.125 1.00 0.00 C ATOM 121 CD2 LEU A 11 6.792 -6.211 1.498 1.00 0.00 C ATOM 0 H LEU A 11 8.913 -2.054 3.070 1.00 0.00 H new ATOM 0 HA LEU A 11 9.399 -4.643 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.013 -2.925 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.037 -3.794 0.754 1.00 0.00 H new ATOM 0 HG LEU A 11 7.602 -5.326 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.191 -5.675 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.655 -3.973 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.833 -4.472 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.416 -7.093 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.108 -5.945 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.776 -6.427 1.083 1.00 0.00 H new ATOM 133 N LYS A 12 9.471 -3.732 -0.653 1.00 0.00 N ATOM 134 CA LYS A 12 9.848 -3.189 -1.952 1.00 0.00 C ATOM 135 C LYS A 12 9.014 -3.815 -3.066 1.00 0.00 C ATOM 136 O LYS A 12 9.216 -4.974 -3.429 1.00 0.00 O ATOM 137 CB LYS A 12 11.336 -3.432 -2.217 1.00 0.00 C ATOM 138 CG LYS A 12 12.251 -2.756 -1.211 1.00 0.00 C ATOM 139 CD LYS A 12 12.587 -1.335 -1.630 1.00 0.00 C ATOM 140 CE LYS A 12 12.999 -0.485 -0.438 1.00 0.00 C ATOM 141 NZ LYS A 12 14.374 -0.814 0.029 1.00 0.00 N ATOM 0 H LYS A 12 9.314 -4.740 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 12 9.658 -2.116 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.528 -4.505 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.582 -3.074 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.771 -2.744 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.170 -3.333 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.394 -1.352 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.723 -0.884 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.950 0.569 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.292 -0.637 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.617 -0.213 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.414 -1.814 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.052 -0.645 -0.741 1.00 0.00 H new ATOM 155 N ASP A 13 8.078 -3.041 -3.604 1.00 0.00 N ATOM 156 CA ASP A 13 7.215 -3.519 -4.678 1.00 0.00 C ATOM 157 C ASP A 13 6.321 -2.396 -5.197 1.00 0.00 C ATOM 158 O ASP A 13 5.929 -1.503 -4.445 1.00 0.00 O ATOM 159 CB ASP A 13 6.357 -4.687 -4.190 1.00 0.00 C ATOM 160 CG ASP A 13 7.057 -6.023 -4.344 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.305 -6.434 -5.496 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.357 -6.658 -3.311 1.00 0.00 O ATOM 0 H ASP A 13 7.897 -2.080 -3.314 1.00 0.00 H new ATOM 0 HA ASP A 13 7.849 -3.862 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.101 -4.533 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.421 -4.704 -4.748 1.00 0.00 H new ATOM 167 N HIS A 14 6.004 -2.448 -6.487 1.00 0.00 N ATOM 168 CA HIS A 14 5.156 -1.435 -7.106 1.00 0.00 C ATOM 169 C HIS A 14 3.749 -1.975 -7.343 1.00 0.00 C ATOM 170 O HIS A 14 3.549 -2.883 -8.151 1.00 0.00 O ATOM 171 CB HIS A 14 5.766 -0.970 -8.429 1.00 0.00 C ATOM 172 CG HIS A 14 4.781 -0.305 -9.341 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.286 -0.905 -10.480 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.198 0.915 -9.276 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.442 -0.082 -11.077 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.371 1.029 -10.366 1.00 0.00 N ATOM 0 H HIS A 14 6.321 -3.180 -7.123 1.00 0.00 H new ATOM 0 HA HIS A 14 5.090 -0.586 -6.426 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.581 -0.277 -8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.201 -1.828 -8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.354 1.660 -8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.902 -0.283 -11.991 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.795 1.840 -10.590 1.00 0.00 H new ATOM 185 N LEU A 15 2.778 -1.412 -6.633 1.00 0.00 N ATOM 186 CA LEU A 15 1.389 -1.838 -6.765 1.00 0.00 C ATOM 187 C LEU A 15 0.687 -1.069 -7.880 1.00 0.00 C ATOM 188 O LEU A 15 1.312 -0.283 -8.593 1.00 0.00 O ATOM 189 CB LEU A 15 0.645 -1.634 -5.444 1.00 0.00 C ATOM 190 CG LEU A 15 1.315 -2.216 -4.199 1.00 0.00 C ATOM 191 CD1 LEU A 15 0.961 -1.396 -2.969 1.00 0.00 C ATOM 192 CD2 LEU A 15 0.912 -3.671 -4.007 1.00 0.00 C ATOM 0 H LEU A 15 2.926 -0.660 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 15 1.383 -2.898 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.506 -0.564 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.348 -2.075 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 15 2.395 -2.175 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.447 -1.826 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.301 -0.369 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.119 -1.404 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.398 -4.069 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.170 -3.737 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.218 -4.251 -4.877 1.00 0.00 H new ATOM 204 N ARG A 16 -0.613 -1.300 -8.024 1.00 0.00 N ATOM 205 CA ARG A 16 -1.400 -0.629 -9.052 1.00 0.00 C ATOM 206 C ARG A 16 -1.818 0.764 -8.593 1.00 0.00 C ATOM 207 O ARG A 16 -2.573 0.911 -7.630 1.00 0.00 O ATOM 208 CB ARG A 16 -2.638 -1.457 -9.399 1.00 0.00 C ATOM 209 CG ARG A 16 -2.345 -2.640 -10.308 1.00 0.00 C ATOM 210 CD ARG A 16 -2.225 -2.209 -11.761 1.00 0.00 C ATOM 211 NE ARG A 16 -1.972 -3.341 -12.649 1.00 0.00 N ATOM 212 CZ ARG A 16 -0.774 -3.890 -12.816 1.00 0.00 C ATOM 213 NH1 ARG A 16 0.275 -3.415 -12.158 1.00 0.00 N ATOM 214 NH2 ARG A 16 -0.624 -4.918 -13.641 1.00 0.00 N ATOM 0 H ARG A 16 -1.144 -1.947 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.779 -0.528 -9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.091 -1.822 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.372 -0.812 -9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.420 -3.122 -9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.139 -3.380 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.143 -1.706 -12.067 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.417 -1.484 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.758 -3.731 -13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.163 -2.626 -11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.194 -3.839 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.429 -5.287 -14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.296 -5.339 -13.769 1.00 0.00 H new ATOM 228 N ILE A 17 -1.324 1.784 -9.287 1.00 0.00 N ATOM 229 CA ILE A 17 -1.647 3.165 -8.950 1.00 0.00 C ATOM 230 C ILE A 17 -2.465 3.823 -10.056 1.00 0.00 C ATOM 231 O ILE A 17 -2.074 3.810 -11.224 1.00 0.00 O ATOM 232 CB ILE A 17 -0.375 3.997 -8.703 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.302 3.559 -7.402 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.713 5.480 -8.657 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.736 4.026 -7.281 1.00 0.00 C ATOM 0 H ILE A 17 -0.699 1.680 -10.086 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.236 3.137 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 17 0.318 3.828 -9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.269 3.943 -6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.276 2.471 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.196 6.055 -8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.156 5.782 -9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.422 5.667 -7.850 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.153 3.680 -6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.322 3.620 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.768 5.115 -7.315 1.00 0.00 H new ATOM 247 N PHE A 18 -3.601 4.400 -9.681 1.00 0.00 N ATOM 248 CA PHE A 18 -4.475 5.065 -10.641 1.00 0.00 C ATOM 249 C PHE A 18 -5.027 6.366 -10.064 1.00 0.00 C ATOM 250 O PHE A 18 -5.449 6.414 -8.908 1.00 0.00 O ATOM 251 CB PHE A 18 -5.627 4.141 -11.040 1.00 0.00 C ATOM 252 CG PHE A 18 -6.644 4.800 -11.927 1.00 0.00 C ATOM 253 CD1 PHE A 18 -6.256 5.441 -13.092 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.989 4.780 -11.594 1.00 0.00 C ATOM 255 CE1 PHE A 18 -7.190 6.048 -13.910 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.928 5.385 -12.409 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.527 6.021 -13.568 1.00 0.00 C ATOM 0 H PHE A 18 -3.939 4.421 -8.719 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.886 5.302 -11.527 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.222 3.268 -11.552 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.122 3.781 -10.138 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.211 5.467 -13.364 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.307 4.286 -10.688 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.874 6.543 -14.816 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.974 5.360 -12.140 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.258 6.496 -14.205 1.00 0.00 H new ATOM 267 N ARG A 19 -5.021 7.417 -10.877 1.00 0.00 N ATOM 268 CA ARG A 19 -5.519 8.718 -10.448 1.00 0.00 C ATOM 269 C ARG A 19 -6.427 9.330 -11.511 1.00 0.00 C ATOM 270 O ARG A 19 -5.990 10.096 -12.370 1.00 0.00 O ATOM 271 CB ARG A 19 -4.352 9.663 -10.153 1.00 0.00 C ATOM 272 CG ARG A 19 -3.350 9.100 -9.159 1.00 0.00 C ATOM 273 CD ARG A 19 -3.792 9.342 -7.724 1.00 0.00 C ATOM 274 NE ARG A 19 -3.807 10.764 -7.388 1.00 0.00 N ATOM 275 CZ ARG A 19 -2.727 11.442 -7.017 1.00 0.00 C ATOM 276 NH1 ARG A 19 -1.552 10.833 -6.936 1.00 0.00 N ATOM 277 NH2 ARG A 19 -2.820 12.734 -6.728 1.00 0.00 N ATOM 0 H ARG A 19 -4.677 7.393 -11.837 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.100 8.574 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.836 9.892 -11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.745 10.603 -9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.230 8.030 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.375 9.560 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.788 8.924 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.121 8.816 -7.045 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.695 11.263 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.475 9.841 -7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.725 11.357 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.722 13.207 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.990 13.254 -6.443 1.00 0.00 H new ATOM 291 N PRO A 20 -7.722 8.984 -11.453 1.00 0.00 N ATOM 292 CA PRO A 20 -8.718 9.488 -12.403 1.00 0.00 C ATOM 293 C PRO A 20 -9.005 10.973 -12.209 1.00 0.00 C ATOM 294 O PRO A 20 -9.860 11.543 -12.886 1.00 0.00 O ATOM 295 CB PRO A 20 -9.964 8.657 -12.084 1.00 0.00 C ATOM 296 CG PRO A 20 -9.792 8.248 -10.662 1.00 0.00 C ATOM 297 CD PRO A 20 -8.313 8.076 -10.456 1.00 0.00 C ATOM 0 HA PRO A 20 -8.380 9.396 -13.435 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.875 9.240 -12.221 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.040 7.789 -12.739 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.195 9.004 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.325 7.320 -10.456 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.015 8.343 -9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.002 7.044 -10.618 1.00 0.00 H new ATOM 432 N TYR A 28 -2.541 1.717 -16.071 1.00 0.00 N ATOM 433 CA TYR A 28 -1.589 2.013 -15.007 1.00 0.00 C ATOM 434 C TYR A 28 -0.192 2.245 -15.574 1.00 0.00 C ATOM 435 O TYR A 28 0.151 1.731 -16.639 1.00 0.00 O ATOM 436 CB TYR A 28 -1.555 0.870 -13.991 1.00 0.00 C ATOM 437 CG TYR A 28 -2.898 0.583 -13.358 1.00 0.00 C ATOM 438 CD1 TYR A 28 -3.879 -0.117 -14.049 1.00 0.00 C ATOM 439 CD2 TYR A 28 -3.185 1.011 -12.067 1.00 0.00 C ATOM 440 CE1 TYR A 28 -5.107 -0.381 -13.474 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.410 0.751 -11.484 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.368 0.055 -12.192 1.00 0.00 C ATOM 443 OH TYR A 28 -6.590 -0.207 -11.616 1.00 0.00 O ATOM 0 HA TYR A 28 -1.915 2.925 -14.507 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.195 -0.033 -14.484 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.838 1.113 -13.207 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.678 -0.461 -15.053 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.437 1.556 -11.510 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.859 -0.926 -14.026 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.617 1.091 -10.480 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.612 0.167 -10.710 1.00 0.00 H new ATOM 453 N ARG A 29 0.610 3.024 -14.855 1.00 0.00 N ATOM 454 CA ARG A 29 1.970 3.325 -15.286 1.00 0.00 C ATOM 455 C ARG A 29 2.982 2.475 -14.525 1.00 0.00 C ATOM 456 O ARG A 29 2.618 1.708 -13.634 1.00 0.00 O ATOM 457 CB ARG A 29 2.275 4.810 -15.079 1.00 0.00 C ATOM 458 CG ARG A 29 1.898 5.681 -16.266 1.00 0.00 C ATOM 459 CD ARG A 29 2.610 7.024 -16.221 1.00 0.00 C ATOM 460 NE ARG A 29 2.059 7.901 -15.192 1.00 0.00 N ATOM 461 CZ ARG A 29 2.421 9.170 -15.038 1.00 0.00 C ATOM 462 NH1 ARG A 29 3.328 9.707 -15.842 1.00 0.00 N ATOM 463 NH2 ARG A 29 1.874 9.905 -14.077 1.00 0.00 N ATOM 0 H ARG A 29 0.342 3.458 -13.972 1.00 0.00 H new ATOM 0 HA ARG A 29 2.050 3.089 -16.347 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.741 5.162 -14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.339 4.929 -14.876 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.151 5.165 -17.192 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.820 5.840 -16.274 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.672 6.865 -16.032 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.529 7.510 -17.193 1.00 0.00 H new ATOM 0 HE ARG A 29 1.358 7.519 -14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.750 9.146 -16.582 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.604 10.682 -15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.176 9.495 -13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.152 10.879 -13.959 1.00 0.00 H new ATOM 477 N GLN A 30 4.255 2.618 -14.882 1.00 0.00 N ATOM 478 CA GLN A 30 5.319 1.862 -14.233 1.00 0.00 C ATOM 479 C GLN A 30 6.104 2.745 -13.269 1.00 0.00 C ATOM 480 O GLN A 30 7.074 3.397 -13.657 1.00 0.00 O ATOM 481 CB GLN A 30 6.262 1.267 -15.280 1.00 0.00 C ATOM 482 CG GLN A 30 7.416 0.479 -14.682 1.00 0.00 C ATOM 483 CD GLN A 30 8.448 0.078 -15.717 1.00 0.00 C ATOM 484 OE1 GLN A 30 8.748 0.839 -16.638 1.00 0.00 O ATOM 485 NE2 GLN A 30 8.999 -1.122 -15.572 1.00 0.00 N ATOM 0 H GLN A 30 4.574 3.250 -15.616 1.00 0.00 H new ATOM 0 HA GLN A 30 4.861 1.053 -13.665 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.692 0.615 -15.941 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.663 2.073 -15.895 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.897 1.077 -13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.027 -0.416 -14.197 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.721 -1.720 -14.794 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.700 -1.445 -16.239 1.00 0.00 H new ATOM 494 N HIS A 31 5.678 2.763 -12.010 1.00 0.00 N ATOM 495 CA HIS A 31 6.341 3.566 -10.989 1.00 0.00 C ATOM 496 C HIS A 31 6.922 2.679 -9.891 1.00 0.00 C ATOM 497 O HIS A 31 6.622 1.488 -9.820 1.00 0.00 O ATOM 498 CB HIS A 31 5.361 4.571 -10.384 1.00 0.00 C ATOM 499 CG HIS A 31 4.800 5.536 -11.383 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.618 6.877 -11.114 1.00 0.00 N ATOM 501 CD2 HIS A 31 4.382 5.350 -12.656 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.111 7.472 -12.178 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.958 6.568 -13.128 1.00 0.00 N ATOM 0 H HIS A 31 4.876 2.230 -11.672 1.00 0.00 H new ATOM 0 HA HIS A 31 7.159 4.108 -11.464 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.540 4.028 -9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.866 5.129 -9.596 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.840 7.337 -10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.382 4.417 -13.200 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.863 8.520 -12.258 1.00 0.00 H new ATOM 512 N TRP A 32 7.752 3.269 -9.039 1.00 0.00 N ATOM 513 CA TRP A 32 8.375 2.531 -7.946 1.00 0.00 C ATOM 514 C TRP A 32 7.801 2.964 -6.601 1.00 0.00 C ATOM 515 O TRP A 32 7.711 4.156 -6.308 1.00 0.00 O ATOM 516 CB TRP A 32 9.890 2.742 -7.959 1.00 0.00 C ATOM 517 CG TRP A 32 10.596 2.048 -6.834 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.323 2.633 -5.837 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.643 0.637 -6.593 1.00 0.00 C ATOM 520 NE1 TRP A 32 11.819 1.671 -4.990 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.416 0.438 -5.432 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.107 -0.477 -7.243 1.00 0.00 C ATOM 523 CZ2 TRP A 32 11.664 -0.829 -4.911 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.355 -1.734 -6.726 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.127 -1.902 -5.569 1.00 0.00 C ATOM 0 H TRP A 32 8.009 4.255 -9.083 1.00 0.00 H new ATOM 0 HA TRP A 32 8.162 1.472 -8.088 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.291 2.383 -8.907 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.101 3.810 -7.907 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.484 3.695 -5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.394 1.846 -4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.509 -0.358 -8.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.259 -0.960 -4.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 9.947 -2.602 -7.222 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.302 -2.898 -5.189 1.00 0.00 H new ATOM 536 N VAL A 33 7.412 1.987 -5.787 1.00 0.00 N ATOM 537 CA VAL A 33 6.847 2.268 -4.473 1.00 0.00 C ATOM 538 C VAL A 33 7.654 1.589 -3.372 1.00 0.00 C ATOM 539 O VAL A 33 8.186 0.495 -3.561 1.00 0.00 O ATOM 540 CB VAL A 33 5.382 1.802 -4.381 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.736 2.320 -3.104 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.601 2.256 -5.605 1.00 0.00 C ATOM 0 H VAL A 33 7.478 0.995 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 33 6.886 3.349 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 33 5.366 0.713 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.701 1.981 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.282 1.941 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.761 3.410 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.568 1.918 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.623 3.344 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.052 1.832 -6.502 1.00 0.00 H new ATOM 552 N VAL A 34 7.742 2.246 -2.219 1.00 0.00 N ATOM 553 CA VAL A 34 8.483 1.705 -1.086 1.00 0.00 C ATOM 554 C VAL A 34 7.743 1.955 0.224 1.00 0.00 C ATOM 555 O VAL A 34 7.449 3.097 0.575 1.00 0.00 O ATOM 556 CB VAL A 34 9.892 2.321 -0.992 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.648 1.746 0.196 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.660 2.091 -2.284 1.00 0.00 C ATOM 0 H VAL A 34 7.309 3.153 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 34 8.574 0.631 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 34 9.791 3.396 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.641 2.193 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.104 1.966 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.742 0.666 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.653 2.532 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.753 1.020 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.125 2.555 -3.113 1.00 0.00 H new ATOM 568 N PHE A 35 7.445 0.878 0.943 1.00 0.00 N ATOM 569 CA PHE A 35 6.739 0.979 2.215 1.00 0.00 C ATOM 570 C PHE A 35 7.721 0.998 3.383 1.00 0.00 C ATOM 571 O PHE A 35 8.581 0.125 3.500 1.00 0.00 O ATOM 572 CB PHE A 35 5.762 -0.188 2.374 1.00 0.00 C ATOM 573 CG PHE A 35 5.237 -0.343 3.773 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.514 0.676 4.372 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.466 -1.507 4.488 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.028 0.536 5.659 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.983 -1.652 5.775 1.00 0.00 C ATOM 578 CZ PHE A 35 4.264 -0.629 6.362 1.00 0.00 C ATOM 0 H PHE A 35 7.681 -0.075 0.667 1.00 0.00 H new ATOM 0 HA PHE A 35 6.180 1.915 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.923 -0.044 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.259 -1.111 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.328 1.590 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.028 -2.310 4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.464 1.337 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.168 -2.565 6.322 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.887 -0.740 7.368 1.00 0.00 H new ATOM 588 N LYS A 36 7.588 2.001 4.244 1.00 0.00 N ATOM 589 CA LYS A 36 8.461 2.135 5.404 1.00 0.00 C ATOM 590 C LYS A 36 7.682 1.929 6.699 1.00 0.00 C ATOM 591 O LYS A 36 6.463 2.096 6.733 1.00 0.00 O ATOM 592 CB LYS A 36 9.126 3.514 5.410 1.00 0.00 C ATOM 593 CG LYS A 36 10.083 3.722 6.570 1.00 0.00 C ATOM 594 CD LYS A 36 11.293 2.810 6.466 1.00 0.00 C ATOM 595 CE LYS A 36 12.525 3.442 7.096 1.00 0.00 C ATOM 596 NZ LYS A 36 13.162 4.438 6.190 1.00 0.00 N ATOM 0 H LYS A 36 6.883 2.734 4.160 1.00 0.00 H new ATOM 0 HA LYS A 36 9.231 1.366 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.668 3.651 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.352 4.281 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.411 4.761 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.564 3.533 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.078 1.861 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.493 2.587 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.246 3.928 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.246 2.663 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.998 4.846 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.451 3.970 5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.482 5.195 5.973 1.00 0.00 H new ATOM 610 N GLU A 37 8.394 1.568 7.761 1.00 0.00 N ATOM 611 CA GLU A 37 7.768 1.341 9.058 1.00 0.00 C ATOM 612 C GLU A 37 6.566 2.260 9.251 1.00 0.00 C ATOM 613 O GLU A 37 5.416 1.825 9.169 1.00 0.00 O ATOM 614 CB GLU A 37 8.780 1.563 10.184 1.00 0.00 C ATOM 615 CG GLU A 37 10.009 0.676 10.083 1.00 0.00 C ATOM 616 CD GLU A 37 10.652 0.413 11.430 1.00 0.00 C ATOM 617 OE1 GLU A 37 11.143 1.380 12.051 1.00 0.00 O ATOM 618 OE2 GLU A 37 10.665 -0.757 11.865 1.00 0.00 O ATOM 0 H GLU A 37 9.404 1.426 7.749 1.00 0.00 H new ATOM 0 HA GLU A 37 7.422 0.308 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.094 2.607 10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.291 1.383 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.730 -0.274 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.738 1.146 9.422 1.00 0.00 H new ATOM 625 N THR A 38 6.839 3.536 9.508 1.00 0.00 N ATOM 626 CA THR A 38 5.781 4.517 9.714 1.00 0.00 C ATOM 627 C THR A 38 5.818 5.599 8.640 1.00 0.00 C ATOM 628 O THR A 38 5.347 6.717 8.853 1.00 0.00 O ATOM 629 CB THR A 38 5.893 5.181 11.100 1.00 0.00 C ATOM 630 OG1 THR A 38 7.271 5.334 11.459 1.00 0.00 O ATOM 631 CG2 THR A 38 5.177 4.354 12.156 1.00 0.00 C ATOM 0 H THR A 38 7.784 3.914 9.578 1.00 0.00 H new ATOM 0 HA THR A 38 4.835 3.980 9.652 1.00 0.00 H new ATOM 0 HB THR A 38 5.420 6.162 11.048 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.334 5.758 12.340 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.270 4.843 13.126 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.123 4.264 11.895 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.624 3.361 12.206 1.00 0.00 H new ATOM 639 N THR A 39 6.380 5.259 7.484 1.00 0.00 N ATOM 640 CA THR A 39 6.478 6.202 6.377 1.00 0.00 C ATOM 641 C THR A 39 6.241 5.507 5.041 1.00 0.00 C ATOM 642 O THR A 39 6.219 4.277 4.964 1.00 0.00 O ATOM 643 CB THR A 39 7.855 6.891 6.346 1.00 0.00 C ATOM 644 OG1 THR A 39 8.215 7.325 7.663 1.00 0.00 O ATOM 645 CG2 THR A 39 7.844 8.082 5.400 1.00 0.00 C ATOM 0 H THR A 39 6.774 4.338 7.290 1.00 0.00 H new ATOM 0 HA THR A 39 5.706 6.955 6.534 1.00 0.00 H new ATOM 0 HB THR A 39 8.589 6.170 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.092 7.761 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.827 8.552 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.598 7.745 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.098 8.804 5.733 1.00 0.00 H new ATOM 653 N LEU A 40 6.064 6.300 3.990 1.00 0.00 N ATOM 654 CA LEU A 40 5.829 5.760 2.655 1.00 0.00 C ATOM 655 C LEU A 40 6.252 6.758 1.582 1.00 0.00 C ATOM 656 O LEU A 40 6.018 7.960 1.711 1.00 0.00 O ATOM 657 CB LEU A 40 4.352 5.402 2.481 1.00 0.00 C ATOM 658 CG LEU A 40 4.046 4.280 1.489 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.737 3.593 1.847 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.993 4.824 0.068 1.00 0.00 C ATOM 0 H LEU A 40 6.079 7.319 4.036 1.00 0.00 H new ATOM 0 HA LEU A 40 6.431 4.858 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.950 5.119 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.817 6.297 2.163 1.00 0.00 H new ATOM 0 HG LEU A 40 4.847 3.543 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.536 2.797 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.811 3.169 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.925 4.320 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.774 4.011 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.212 5.581 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.955 5.269 -0.187 1.00 0.00 H new ATOM 672 N SER A 41 6.874 6.252 0.522 1.00 0.00 N ATOM 673 CA SER A 41 7.331 7.099 -0.573 1.00 0.00 C ATOM 674 C SER A 41 7.299 6.341 -1.896 1.00 0.00 C ATOM 675 O SER A 41 7.345 5.111 -1.921 1.00 0.00 O ATOM 676 CB SER A 41 8.748 7.606 -0.297 1.00 0.00 C ATOM 677 OG SER A 41 8.771 8.466 0.829 1.00 0.00 O ATOM 0 H SER A 41 7.073 5.259 0.398 1.00 0.00 H new ATOM 0 HA SER A 41 6.656 7.951 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.414 6.760 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.125 8.136 -1.172 1.00 0.00 H new ATOM 0 HG SER A 41 9.688 8.775 0.986 1.00 0.00 H new ATOM 683 N TYR A 42 7.220 7.083 -2.995 1.00 0.00 N ATOM 684 CA TYR A 42 7.179 6.482 -4.322 1.00 0.00 C ATOM 685 C TYR A 42 7.762 7.429 -5.367 1.00 0.00 C ATOM 686 O TYR A 42 7.720 8.649 -5.208 1.00 0.00 O ATOM 687 CB TYR A 42 5.741 6.117 -4.696 1.00 0.00 C ATOM 688 CG TYR A 42 4.856 7.317 -4.944 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.449 8.133 -3.896 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.428 7.635 -6.227 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.639 9.231 -4.119 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.620 8.732 -6.459 1.00 0.00 C ATOM 693 CZ TYR A 42 3.228 9.526 -5.402 1.00 0.00 C ATOM 694 OH TYR A 42 2.423 10.619 -5.628 1.00 0.00 O ATOM 0 H TYR A 42 7.183 8.102 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 42 7.784 5.575 -4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.754 5.495 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.308 5.516 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.771 7.906 -2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.732 7.014 -7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.330 9.854 -3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.297 8.966 -7.463 1.00 0.00 H new ATOM 0 HH TYR A 42 2.225 10.687 -6.585 1.00 0.00 H new ATOM 704 N TYR A 43 8.306 6.857 -6.435 1.00 0.00 N ATOM 705 CA TYR A 43 8.900 7.648 -7.507 1.00 0.00 C ATOM 706 C TYR A 43 8.336 7.239 -8.863 1.00 0.00 C ATOM 707 O TYR A 43 7.791 6.146 -9.019 1.00 0.00 O ATOM 708 CB TYR A 43 10.422 7.486 -7.505 1.00 0.00 C ATOM 709 CG TYR A 43 11.009 7.299 -6.124 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.714 6.170 -5.370 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.858 8.252 -5.574 1.00 0.00 C ATOM 712 CE1 TYR A 43 11.248 5.996 -4.107 1.00 0.00 C ATOM 713 CE2 TYR A 43 12.398 8.084 -4.314 1.00 0.00 C ATOM 714 CZ TYR A 43 12.090 6.955 -3.584 1.00 0.00 C ATOM 715 OH TYR A 43 12.624 6.786 -2.327 1.00 0.00 O ATOM 0 H TYR A 43 8.348 5.849 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 43 8.652 8.695 -7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.689 6.629 -8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.873 8.364 -7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.057 5.416 -5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.099 9.139 -6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.007 5.114 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.058 8.833 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 43 13.196 7.551 -2.109 1.00 0.00 H new ATOM 725 N LYS A 44 8.471 8.125 -9.845 1.00 0.00 N ATOM 726 CA LYS A 44 7.977 7.858 -11.190 1.00 0.00 C ATOM 727 C LYS A 44 8.653 6.626 -11.784 1.00 0.00 C ATOM 728 O LYS A 44 8.026 5.848 -12.502 1.00 0.00 O ATOM 729 CB LYS A 44 8.218 9.070 -12.093 1.00 0.00 C ATOM 730 CG LYS A 44 7.428 10.301 -11.683 1.00 0.00 C ATOM 731 CD LYS A 44 7.543 11.408 -12.717 1.00 0.00 C ATOM 732 CE LYS A 44 8.766 12.278 -12.470 1.00 0.00 C ATOM 733 NZ LYS A 44 8.595 13.149 -11.274 1.00 0.00 N ATOM 0 H LYS A 44 8.919 9.035 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 44 6.906 7.667 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.281 9.312 -12.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.958 8.806 -13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.380 10.034 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.790 10.662 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.602 10.971 -13.714 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.645 12.025 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.642 11.643 -12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.954 12.898 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.298 13.915 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.638 13.557 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.729 12.584 -10.411 1.00 0.00 H new ATOM 747 N SER A 45 9.935 6.455 -11.477 1.00 0.00 N ATOM 748 CA SER A 45 10.697 5.319 -11.983 1.00 0.00 C ATOM 749 C SER A 45 11.780 4.907 -10.991 1.00 0.00 C ATOM 750 O SER A 45 12.486 5.751 -10.441 1.00 0.00 O ATOM 751 CB SER A 45 11.329 5.662 -13.333 1.00 0.00 C ATOM 752 OG SER A 45 12.375 4.760 -13.649 1.00 0.00 O ATOM 0 H SER A 45 10.468 7.088 -10.881 1.00 0.00 H new ATOM 0 HA SER A 45 10.011 4.482 -12.114 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.568 5.630 -14.113 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.717 6.680 -13.308 1.00 0.00 H new ATOM 0 HG SER A 45 12.762 4.999 -14.517 1.00 0.00 H new ATOM 758 N GLN A 46 11.904 3.602 -10.768 1.00 0.00 N ATOM 759 CA GLN A 46 12.901 3.077 -9.842 1.00 0.00 C ATOM 760 C GLN A 46 14.249 3.758 -10.050 1.00 0.00 C ATOM 761 O GLN A 46 14.897 4.180 -9.092 1.00 0.00 O ATOM 762 CB GLN A 46 13.047 1.565 -10.020 1.00 0.00 C ATOM 763 CG GLN A 46 13.728 0.877 -8.848 1.00 0.00 C ATOM 764 CD GLN A 46 15.240 0.891 -8.962 1.00 0.00 C ATOM 765 OE1 GLN A 46 15.934 1.432 -8.101 1.00 0.00 O ATOM 766 NE2 GLN A 46 15.759 0.294 -10.029 1.00 0.00 N ATOM 0 H GLN A 46 11.327 2.890 -11.215 1.00 0.00 H new ATOM 0 HA GLN A 46 12.562 3.285 -8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.059 1.127 -10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.618 1.368 -10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.433 1.369 -7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.382 -0.155 -8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.146 -0.142 -10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.770 0.272 -10.159 1.00 0.00 H new ATOM 775 N ASP A 47 14.666 3.862 -11.307 1.00 0.00 N ATOM 776 CA ASP A 47 15.938 4.493 -11.641 1.00 0.00 C ATOM 777 C ASP A 47 16.105 5.810 -10.890 1.00 0.00 C ATOM 778 O ASP A 47 17.108 6.024 -10.210 1.00 0.00 O ATOM 779 CB ASP A 47 16.031 4.736 -13.148 1.00 0.00 C ATOM 780 CG ASP A 47 16.296 3.461 -13.925 1.00 0.00 C ATOM 781 OD1 ASP A 47 15.493 2.512 -13.799 1.00 0.00 O ATOM 782 OD2 ASP A 47 17.305 3.411 -14.658 1.00 0.00 O ATOM 0 H ASP A 47 14.142 3.518 -12.112 1.00 0.00 H new ATOM 0 HA ASP A 47 16.740 3.819 -11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.102 5.185 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.827 5.453 -13.349 1.00 0.00 H new ATOM 787 N GLU A 48 15.116 6.689 -11.018 1.00 0.00 N ATOM 788 CA GLU A 48 15.155 7.985 -10.353 1.00 0.00 C ATOM 789 C GLU A 48 15.618 7.840 -8.906 1.00 0.00 C ATOM 790 O GLU A 48 16.610 8.442 -8.497 1.00 0.00 O ATOM 791 CB GLU A 48 13.777 8.648 -10.395 1.00 0.00 C ATOM 792 CG GLU A 48 13.329 9.032 -11.796 1.00 0.00 C ATOM 793 CD GLU A 48 12.419 10.245 -11.805 1.00 0.00 C ATOM 794 OE1 GLU A 48 12.545 11.089 -10.894 1.00 0.00 O ATOM 795 OE2 GLU A 48 11.580 10.349 -12.724 1.00 0.00 O ATOM 0 H GLU A 48 14.278 6.527 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 48 15.869 8.615 -10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.043 7.969 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.793 9.541 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.206 9.236 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.809 8.189 -12.251 1.00 0.00 H new ATOM 802 N ALA A 49 14.890 7.038 -8.136 1.00 0.00 N ATOM 803 CA ALA A 49 15.225 6.812 -6.735 1.00 0.00 C ATOM 804 C ALA A 49 16.690 6.421 -6.578 1.00 0.00 C ATOM 805 O ALA A 49 17.299 5.830 -7.470 1.00 0.00 O ATOM 806 CB ALA A 49 14.323 5.739 -6.143 1.00 0.00 C ATOM 0 H ALA A 49 14.064 6.534 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 49 15.065 7.744 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.584 5.581 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.283 6.058 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.454 4.808 -6.695 1.00 0.00 H new ATOM 812 N PRO A 50 17.272 6.757 -5.417 1.00 0.00 N ATOM 813 CA PRO A 50 16.557 7.461 -4.348 1.00 0.00 C ATOM 814 C PRO A 50 16.236 8.905 -4.719 1.00 0.00 C ATOM 815 O PRO A 50 15.106 9.362 -4.556 1.00 0.00 O ATOM 816 CB PRO A 50 17.539 7.416 -3.175 1.00 0.00 C ATOM 817 CG PRO A 50 18.881 7.287 -3.809 1.00 0.00 C ATOM 818 CD PRO A 50 18.672 6.477 -5.059 1.00 0.00 C ATOM 0 HA PRO A 50 15.592 7.002 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.473 8.319 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.330 6.573 -2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.298 8.267 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.584 6.794 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.357 6.777 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.836 5.414 -4.881 1.00 0.00 H new ATOM 826 N GLY A 51 17.240 9.620 -5.220 1.00 0.00 N ATOM 827 CA GLY A 51 17.043 11.005 -5.606 1.00 0.00 C ATOM 828 C GLY A 51 16.058 11.724 -4.706 1.00 0.00 C ATOM 829 O GLY A 51 16.399 12.119 -3.591 1.00 0.00 O ATOM 0 H GLY A 51 18.185 9.265 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 51 18.000 11.526 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.686 11.045 -6.635 1.00 0.00 H new ATOM 833 N ASP A 52 14.833 11.895 -5.190 1.00 0.00 N ATOM 834 CA ASP A 52 13.795 12.572 -4.422 1.00 0.00 C ATOM 835 C ASP A 52 12.420 11.989 -4.734 1.00 0.00 C ATOM 836 O ASP A 52 11.992 11.926 -5.886 1.00 0.00 O ATOM 837 CB ASP A 52 13.805 14.072 -4.721 1.00 0.00 C ATOM 838 CG ASP A 52 13.181 14.889 -3.607 1.00 0.00 C ATOM 839 OD1 ASP A 52 11.967 14.726 -3.360 1.00 0.00 O ATOM 840 OD2 ASP A 52 13.905 15.691 -2.982 1.00 0.00 O ATOM 0 H ASP A 52 14.534 11.574 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 52 14.004 12.419 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.832 14.401 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.266 14.258 -5.650 1.00 0.00 H new ATOM 845 N PRO A 53 11.711 11.550 -3.683 1.00 0.00 N ATOM 846 CA PRO A 53 10.375 10.963 -3.819 1.00 0.00 C ATOM 847 C PRO A 53 9.326 11.995 -4.220 1.00 0.00 C ATOM 848 O PRO A 53 9.283 13.095 -3.669 1.00 0.00 O ATOM 849 CB PRO A 53 10.082 10.419 -2.419 1.00 0.00 C ATOM 850 CG PRO A 53 10.916 11.251 -1.507 1.00 0.00 C ATOM 851 CD PRO A 53 12.159 11.594 -2.281 1.00 0.00 C ATOM 0 HA PRO A 53 10.341 10.205 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.023 10.504 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.343 9.364 -2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.383 12.153 -1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.162 10.705 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.541 12.579 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.960 10.879 -2.092 1.00 0.00 H new ATOM 859 N ILE A 54 8.484 11.633 -5.182 1.00 0.00 N ATOM 860 CA ILE A 54 7.435 12.527 -5.655 1.00 0.00 C ATOM 861 C ILE A 54 6.733 13.216 -4.489 1.00 0.00 C ATOM 862 O ILE A 54 6.625 14.441 -4.453 1.00 0.00 O ATOM 863 CB ILE A 54 6.389 11.773 -6.497 1.00 0.00 C ATOM 864 CG1 ILE A 54 7.015 11.273 -7.800 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.195 12.671 -6.786 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.341 10.040 -8.360 1.00 0.00 C ATOM 0 H ILE A 54 8.508 10.727 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 54 7.919 13.278 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 54 6.041 10.910 -5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.973 12.069 -8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.069 11.054 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.464 12.124 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.738 12.982 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.527 13.551 -7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.837 9.742 -9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.406 9.229 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.293 10.260 -8.565 1.00 0.00 H new ATOM 878 N GLN A 55 6.258 12.418 -3.537 1.00 0.00 N ATOM 879 CA GLN A 55 5.567 12.952 -2.370 1.00 0.00 C ATOM 880 C GLN A 55 5.840 12.095 -1.137 1.00 0.00 C ATOM 881 O GLN A 55 5.358 10.968 -1.035 1.00 0.00 O ATOM 882 CB GLN A 55 4.061 13.025 -2.631 1.00 0.00 C ATOM 883 CG GLN A 55 3.619 14.327 -3.279 1.00 0.00 C ATOM 884 CD GLN A 55 2.181 14.682 -2.954 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.894 15.776 -2.468 1.00 0.00 O ATOM 886 NE2 GLN A 55 1.268 13.756 -3.221 1.00 0.00 N ATOM 0 H GLN A 55 6.339 11.401 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 55 5.945 13.957 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.771 12.193 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.530 12.900 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.272 15.134 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.734 14.248 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.550 12.863 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.284 13.938 -3.023 1.00 0.00 H new ATOM 895 N GLN A 56 6.616 12.639 -0.205 1.00 0.00 N ATOM 896 CA GLN A 56 6.953 11.923 1.020 1.00 0.00 C ATOM 897 C GLN A 56 5.963 12.252 2.132 1.00 0.00 C ATOM 898 O GLN A 56 5.794 13.414 2.504 1.00 0.00 O ATOM 899 CB GLN A 56 8.374 12.274 1.465 1.00 0.00 C ATOM 900 CG GLN A 56 8.550 13.735 1.844 1.00 0.00 C ATOM 901 CD GLN A 56 9.978 14.215 1.674 1.00 0.00 C ATOM 902 OE1 GLN A 56 10.900 13.413 1.522 1.00 0.00 O ATOM 903 NE2 GLN A 56 10.168 15.529 1.699 1.00 0.00 N ATOM 0 H GLN A 56 7.023 13.572 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 56 6.898 10.854 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.643 11.651 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.068 12.030 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.890 14.348 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.244 13.877 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.374 16.157 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.108 15.911 1.590 1.00 0.00 H new ATOM 912 N LEU A 57 5.312 11.222 2.661 1.00 0.00 N ATOM 913 CA LEU A 57 4.338 11.400 3.732 1.00 0.00 C ATOM 914 C LEU A 57 4.427 10.263 4.744 1.00 0.00 C ATOM 915 O LEU A 57 4.844 9.154 4.412 1.00 0.00 O ATOM 916 CB LEU A 57 2.924 11.475 3.155 1.00 0.00 C ATOM 917 CG LEU A 57 2.601 10.482 2.038 1.00 0.00 C ATOM 918 CD1 LEU A 57 1.105 10.218 1.974 1.00 0.00 C ATOM 919 CD2 LEU A 57 3.111 10.999 0.700 1.00 0.00 C ATOM 0 H LEU A 57 5.441 10.254 2.366 1.00 0.00 H new ATOM 0 HA LEU A 57 4.565 12.335 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.213 11.321 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.761 12.484 2.775 1.00 0.00 H new ATOM 0 HG LEU A 57 3.106 9.541 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.895 9.509 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.768 9.803 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.579 11.152 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.872 10.279 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.635 11.953 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.191 11.135 0.750 1.00 0.00 H new ATOM 931 N ASN A 58 4.030 10.545 5.981 1.00 0.00 N ATOM 932 CA ASN A 58 4.063 9.545 7.042 1.00 0.00 C ATOM 933 C ASN A 58 2.686 8.918 7.242 1.00 0.00 C ATOM 934 O ASN A 58 1.778 9.549 7.785 1.00 0.00 O ATOM 935 CB ASN A 58 4.544 10.175 8.350 1.00 0.00 C ATOM 936 CG ASN A 58 3.822 11.470 8.668 1.00 0.00 C ATOM 937 OD1 ASN A 58 4.041 12.492 8.016 1.00 0.00 O ATOM 938 ND2 ASN A 58 2.956 11.434 9.674 1.00 0.00 N ATOM 0 H ASN A 58 3.682 11.458 6.273 1.00 0.00 H new ATOM 0 HA ASN A 58 4.760 8.761 6.747 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.394 9.469 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.615 10.366 8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.441 12.275 9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.806 10.565 10.187 1.00 0.00 H new ATOM 945 N LEU A 59 2.539 7.674 6.800 1.00 0.00 N ATOM 946 CA LEU A 59 1.273 6.961 6.931 1.00 0.00 C ATOM 947 C LEU A 59 0.606 7.275 8.266 1.00 0.00 C ATOM 948 O LEU A 59 -0.607 7.474 8.335 1.00 0.00 O ATOM 949 CB LEU A 59 1.499 5.453 6.803 1.00 0.00 C ATOM 950 CG LEU A 59 1.692 4.922 5.383 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.279 3.519 5.413 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.373 4.934 4.625 1.00 0.00 C ATOM 0 H LEU A 59 3.280 7.138 6.348 1.00 0.00 H new ATOM 0 HA LEU A 59 0.613 7.293 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.377 5.186 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.648 4.939 7.249 1.00 0.00 H new ATOM 0 HG LEU A 59 2.392 5.576 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.409 3.157 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.245 3.540 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.604 2.853 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.530 4.553 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.350 4.304 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.007 5.954 4.572 1.00 0.00 H new ATOM 964 N LYS A 60 1.407 7.321 9.325 1.00 0.00 N ATOM 965 CA LYS A 60 0.897 7.615 10.659 1.00 0.00 C ATOM 966 C LYS A 60 -0.118 8.753 10.615 1.00 0.00 C ATOM 967 O LYS A 60 0.199 9.863 10.190 1.00 0.00 O ATOM 968 CB LYS A 60 2.048 7.980 11.599 1.00 0.00 C ATOM 969 CG LYS A 60 1.744 7.715 13.064 1.00 0.00 C ATOM 970 CD LYS A 60 3.018 7.545 13.875 1.00 0.00 C ATOM 971 CE LYS A 60 2.768 7.770 15.359 1.00 0.00 C ATOM 972 NZ LYS A 60 4.018 8.129 16.084 1.00 0.00 N ATOM 0 H LYS A 60 2.413 7.158 9.285 1.00 0.00 H new ATOM 0 HA LYS A 60 0.399 6.721 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.934 7.414 11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.289 9.035 11.472 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.160 8.541 13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.132 6.817 13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.418 6.543 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.772 8.248 13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.033 8.565 15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.341 6.867 15.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.805 8.274 17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.711 7.360 15.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.412 9.004 15.684 1.00 0.00 H new ATOM 986 N GLY A 61 -1.339 8.469 11.058 1.00 0.00 N ATOM 987 CA GLY A 61 -2.380 9.480 11.061 1.00 0.00 C ATOM 988 C GLY A 61 -3.388 9.278 9.947 1.00 0.00 C ATOM 989 O GLY A 61 -4.581 9.523 10.128 1.00 0.00 O ATOM 0 H GLY A 61 -1.626 7.557 11.415 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.896 9.463 12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.925 10.466 10.961 1.00 0.00 H new ATOM 993 N CYS A 62 -2.908 8.831 8.792 1.00 0.00 N ATOM 994 CA CYS A 62 -3.776 8.599 7.643 1.00 0.00 C ATOM 995 C CYS A 62 -4.823 7.536 7.958 1.00 0.00 C ATOM 996 O CYS A 62 -4.793 6.918 9.022 1.00 0.00 O ATOM 997 CB CYS A 62 -2.947 8.171 6.430 1.00 0.00 C ATOM 998 SG CYS A 62 -2.438 6.437 6.459 1.00 0.00 S ATOM 0 H CYS A 62 -1.923 8.622 8.626 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.290 9.532 7.413 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.526 8.353 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.058 8.799 6.371 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.541 6.263 7.384 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.750 7.331 7.027 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.808 6.344 7.208 1.00 0.00 C ATOM 1006 C GLU A 63 -6.691 5.224 6.178 1.00 0.00 C ATOM 1007 O GLU A 63 -6.197 5.434 5.071 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.181 7.011 7.099 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.255 6.332 7.933 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.061 6.548 9.421 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -9.541 7.577 9.940 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -8.429 5.686 10.067 1.00 0.00 O ATOM 0 H GLU A 63 -5.790 7.835 6.141 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.699 5.911 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.096 8.052 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.492 7.015 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.233 6.713 7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.252 5.263 7.721 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.148 4.034 6.553 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.095 2.880 5.662 1.00 0.00 C ATOM 1021 C VAL A 64 -8.419 2.125 5.662 1.00 0.00 C ATOM 1022 O VAL A 64 -8.871 1.642 6.700 1.00 0.00 O ATOM 1023 CB VAL A 64 -5.965 1.913 6.064 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.127 1.473 7.511 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -5.938 0.711 5.132 1.00 0.00 C ATOM 0 H VAL A 64 -7.559 3.843 7.467 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.898 3.262 4.660 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.013 2.436 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.320 0.790 7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.093 2.346 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.085 0.967 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.134 0.038 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.891 0.185 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.769 1.047 4.109 1.00 0.00 H new ATOM 1035 N VAL A 65 -9.037 2.026 4.489 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.310 1.328 4.352 1.00 0.00 C ATOM 1037 C VAL A 65 -10.193 0.157 3.383 1.00 0.00 C ATOM 1038 O VAL A 65 -9.761 0.306 2.240 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.420 2.276 3.863 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.750 1.543 3.778 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.527 3.487 4.777 1.00 0.00 C ATOM 0 H VAL A 65 -8.677 2.420 3.620 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.573 0.953 5.341 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.161 2.625 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.522 2.229 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.663 0.711 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.019 1.162 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.316 4.146 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.762 3.159 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.579 4.025 4.781 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.587 -1.038 3.848 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.537 -2.258 3.038 1.00 0.00 C ATOM 1053 C PRO A 66 -11.564 -2.248 1.911 1.00 0.00 C ATOM 1054 O PRO A 66 -12.760 -2.076 2.149 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.859 -3.366 4.045 1.00 0.00 C ATOM 1056 CG PRO A 66 -11.651 -2.690 5.111 1.00 0.00 C ATOM 1057 CD PRO A 66 -11.113 -1.289 5.200 1.00 0.00 C ATOM 0 HA PRO A 66 -9.573 -2.379 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.428 -4.171 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.949 -3.810 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.713 -2.685 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.547 -3.209 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.893 -0.575 5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.333 -1.206 5.956 1.00 0.00 H new ATOM 1065 N ASP A 67 -11.091 -2.435 0.684 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.968 -2.449 -0.481 1.00 0.00 C ATOM 1067 C ASP A 67 -11.753 -3.712 -1.309 1.00 0.00 C ATOM 1068 O ASP A 67 -11.864 -3.690 -2.535 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.725 -1.210 -1.344 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.453 0.013 -0.821 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -13.697 -0.036 -0.717 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -11.779 1.018 -0.515 1.00 0.00 O ATOM 0 H ASP A 67 -10.104 -2.579 0.470 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.999 -2.440 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.656 -1.003 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.049 -1.413 -2.365 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.442 -4.812 -0.631 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.211 -6.085 -1.303 1.00 0.00 C ATOM 1079 C VAL A 68 -12.519 -6.834 -1.527 1.00 0.00 C ATOM 1080 O VAL A 68 -13.443 -6.746 -0.719 1.00 0.00 O ATOM 1081 CB VAL A 68 -10.251 -6.979 -0.496 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -9.108 -6.156 0.077 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -11.003 -7.705 0.609 1.00 0.00 C ATOM 0 H VAL A 68 -11.344 -4.847 0.384 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.758 -5.856 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.827 -7.726 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.441 -6.805 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.554 -5.687 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.509 -5.385 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.310 -8.332 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.456 -6.976 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.782 -8.328 0.170 1.00 0.00 H new ATOM 1093 N ASN A 69 -12.591 -7.572 -2.630 1.00 0.00 N ATOM 1094 CA ASN A 69 -13.787 -8.338 -2.961 1.00 0.00 C ATOM 1095 C ASN A 69 -13.426 -9.764 -3.363 1.00 0.00 C ATOM 1096 O ASN A 69 -13.447 -10.113 -4.543 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.557 -7.656 -4.094 1.00 0.00 C ATOM 1098 CG ASN A 69 -16.026 -8.033 -4.103 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -16.523 -8.614 -5.068 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -16.728 -7.703 -3.026 1.00 0.00 N ATOM 0 H ASN A 69 -11.835 -7.656 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.419 -8.379 -2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.463 -6.575 -3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.109 -7.928 -5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.721 -7.931 -2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.274 -7.222 -2.249 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.095 -10.587 -2.372 1.00 0.00 N ATOM 1108 CA VAL A 70 -12.731 -11.976 -2.621 1.00 0.00 C ATOM 1109 C VAL A 70 -13.574 -12.573 -3.743 1.00 0.00 C ATOM 1110 O VAL A 70 -13.059 -13.267 -4.619 1.00 0.00 O ATOM 1111 CB VAL A 70 -12.899 -12.837 -1.355 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -12.467 -14.270 -1.621 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.111 -12.240 -0.198 1.00 0.00 C ATOM 0 H VAL A 70 -13.072 -10.315 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.682 -11.979 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.954 -12.847 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.593 -14.862 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.078 -14.692 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.419 -14.284 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.240 -12.860 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.054 -12.199 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.473 -11.233 0.008 1.00 0.00 H new ATOM 1123 N SER A 71 -14.874 -12.297 -3.709 1.00 0.00 N ATOM 1124 CA SER A 71 -15.790 -12.809 -4.721 1.00 0.00 C ATOM 1125 C SER A 71 -15.154 -12.757 -6.107 1.00 0.00 C ATOM 1126 O SER A 71 -15.187 -13.733 -6.855 1.00 0.00 O ATOM 1127 CB SER A 71 -17.092 -12.005 -4.715 1.00 0.00 C ATOM 1128 OG SER A 71 -17.855 -12.278 -3.553 1.00 0.00 O ATOM 0 H SER A 71 -15.316 -11.722 -2.992 1.00 0.00 H new ATOM 0 HA SER A 71 -16.012 -13.849 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.865 -10.940 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.676 -12.247 -5.603 1.00 0.00 H new ATOM 0 HG SER A 71 -18.681 -11.751 -3.573 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.573 -11.609 -6.442 1.00 0.00 N ATOM 1135 CA GLY A 72 -13.937 -11.449 -7.736 1.00 0.00 C ATOM 1136 C GLY A 72 -12.425 -11.387 -7.636 1.00 0.00 C ATOM 1137 O GLY A 72 -11.784 -10.594 -8.324 1.00 0.00 O ATOM 0 H GLY A 72 -14.532 -10.787 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.221 -12.279 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.304 -10.538 -8.208 1.00 0.00 H new ATOM 1141 N GLN A 73 -11.856 -12.225 -6.775 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.411 -12.259 -6.585 1.00 0.00 C ATOM 1143 C GLN A 73 -9.811 -10.864 -6.722 1.00 0.00 C ATOM 1144 O GLN A 73 -8.870 -10.654 -7.488 1.00 0.00 O ATOM 1145 CB GLN A 73 -9.765 -13.207 -7.597 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.377 -14.598 -7.605 1.00 0.00 C ATOM 1147 CD GLN A 73 -9.734 -15.524 -6.591 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -8.682 -16.110 -6.849 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -10.364 -15.661 -5.430 1.00 0.00 N ATOM 0 H GLN A 73 -12.373 -12.889 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.211 -12.623 -5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.852 -12.775 -8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.701 -13.289 -7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.444 -14.522 -7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.276 -15.030 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.234 -15.156 -5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.978 -16.271 -4.709 1.00 0.00 H new ATOM 1158 N LYS A 74 -10.361 -9.913 -5.975 1.00 0.00 N ATOM 1159 CA LYS A 74 -9.880 -8.537 -6.012 1.00 0.00 C ATOM 1160 C LYS A 74 -9.455 -8.072 -4.622 1.00 0.00 C ATOM 1161 O LYS A 74 -9.947 -8.574 -3.612 1.00 0.00 O ATOM 1162 CB LYS A 74 -10.966 -7.609 -6.562 1.00 0.00 C ATOM 1163 CG LYS A 74 -10.505 -6.174 -6.744 1.00 0.00 C ATOM 1164 CD LYS A 74 -11.637 -5.281 -7.223 1.00 0.00 C ATOM 1165 CE LYS A 74 -12.451 -4.739 -6.057 1.00 0.00 C ATOM 1166 NZ LYS A 74 -13.620 -3.941 -6.521 1.00 0.00 N ATOM 0 H LYS A 74 -11.141 -10.070 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.012 -8.500 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.311 -7.995 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.821 -7.624 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.115 -5.794 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.686 -6.142 -7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.228 -4.451 -7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.288 -5.844 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.799 -5.568 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.814 -4.118 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.149 -3.589 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.287 -3.136 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.241 -4.540 -7.101 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.540 -7.109 -4.580 1.00 0.00 N ATOM 1181 CA PHE A 75 -8.050 -6.575 -3.314 1.00 0.00 C ATOM 1182 C PHE A 75 -7.453 -5.184 -3.504 1.00 0.00 C ATOM 1183 O PHE A 75 -6.416 -5.026 -4.149 1.00 0.00 O ATOM 1184 CB PHE A 75 -7.003 -7.514 -2.712 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.331 -8.970 -2.887 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.156 -9.590 -4.113 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.815 -9.717 -1.825 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.458 -10.929 -4.277 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.118 -11.056 -1.983 1.00 0.00 C ATOM 1190 CZ PHE A 75 -7.939 -11.663 -3.210 1.00 0.00 C ATOM 0 H PHE A 75 -8.123 -6.683 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.895 -6.497 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.036 -7.310 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.902 -7.298 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.779 -9.021 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.957 -9.247 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.318 -11.401 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.495 -11.627 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.175 -12.710 -3.335 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.115 -4.181 -2.940 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.651 -2.802 -3.048 1.00 0.00 C ATOM 1202 C CYS A 76 -7.555 -2.151 -1.672 1.00 0.00 C ATOM 1203 O CYS A 76 -8.403 -2.376 -0.808 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.592 -1.994 -3.944 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.827 -0.538 -4.695 1.00 0.00 S ATOM 0 H CYS A 76 -8.975 -4.296 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.657 -2.813 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.969 -2.642 -4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.453 -1.676 -3.356 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.614 -0.404 -4.246 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.517 -1.345 -1.476 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.310 -0.662 -0.205 1.00 0.00 C ATOM 1213 C ILE A 77 -6.509 0.843 -0.351 1.00 0.00 C ATOM 1214 O ILE A 77 -5.622 1.555 -0.823 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.902 -0.931 0.356 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.611 -2.433 0.365 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.769 -0.351 1.756 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.174 -2.768 0.698 1.00 0.00 C ATOM 0 H ILE A 77 -5.806 -1.149 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.050 -1.058 0.490 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.171 -0.443 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.266 -2.917 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.855 -2.848 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.768 -0.550 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.937 0.725 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.506 -0.813 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.040 -3.850 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.514 -2.313 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.931 -2.383 1.688 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.678 1.323 0.059 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.993 2.744 -0.022 1.00 0.00 C ATOM 1232 C LYS A 78 -7.211 3.536 1.021 1.00 0.00 C ATOM 1233 O LYS A 78 -7.548 3.524 2.206 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.494 2.966 0.175 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.906 4.427 0.112 1.00 0.00 C ATOM 1236 CD LYS A 78 -11.418 4.581 0.126 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.829 6.015 0.425 1.00 0.00 C ATOM 1238 NZ LYS A 78 -13.125 6.366 -0.220 1.00 0.00 N ATOM 0 H LYS A 78 -8.424 0.748 0.451 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.705 3.098 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.038 2.410 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.790 2.555 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.477 4.964 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.501 4.881 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.825 4.278 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.846 3.915 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.911 6.152 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.053 6.696 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.370 7.351 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.040 6.260 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.871 5.733 0.133 1.00 0.00 H new ATOM 1252 N LEU A 79 -6.165 4.223 0.574 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.335 5.022 1.469 1.00 0.00 C ATOM 1254 C LEU A 79 -5.731 6.494 1.409 1.00 0.00 C ATOM 1255 O LEU A 79 -5.898 7.059 0.327 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.858 4.863 1.104 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.862 5.017 2.254 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -3.140 3.991 3.341 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.435 4.885 1.744 1.00 0.00 C ATOM 0 H LEU A 79 -5.872 4.243 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.491 4.664 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.719 3.878 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.613 5.597 0.337 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.982 6.012 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.422 4.116 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.150 4.134 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.048 2.987 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.740 4.997 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.301 3.904 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.241 5.659 1.002 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.877 7.109 2.577 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.251 8.517 2.658 1.00 0.00 C ATOM 1273 C LEU A 80 -5.382 9.253 3.673 1.00 0.00 C ATOM 1274 O LEU A 80 -5.632 9.195 4.878 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.726 8.653 3.038 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.719 8.683 1.875 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -10.126 8.383 2.367 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.673 10.030 1.170 1.00 0.00 C ATOM 0 H LEU A 80 -5.742 6.656 3.481 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.093 8.967 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.990 7.823 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.848 9.568 3.618 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.435 7.912 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.819 8.409 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.148 7.394 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.421 9.131 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.386 10.034 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.931 10.819 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.669 10.204 0.783 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.363 9.948 3.179 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.459 10.699 4.043 1.00 0.00 C ATOM 1292 C VAL A 81 -3.830 12.177 4.074 1.00 0.00 C ATOM 1293 O VAL A 81 -3.876 12.853 3.046 1.00 0.00 O ATOM 1294 CB VAL A 81 -1.996 10.558 3.583 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.068 11.327 4.511 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.599 9.091 3.514 1.00 0.00 C ATOM 0 H VAL A 81 -4.142 10.007 2.185 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.559 10.281 5.045 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.905 10.983 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.039 11.216 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.340 12.382 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.159 10.935 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.562 9.010 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.705 8.639 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.245 8.572 2.805 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.103 12.693 5.282 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.474 14.098 5.477 1.00 0.00 C ATOM 1308 C PRO A 82 -3.307 15.046 5.226 1.00 0.00 C ATOM 1309 O PRO A 82 -2.151 14.704 5.478 1.00 0.00 O ATOM 1310 CB PRO A 82 -4.900 14.152 6.946 1.00 0.00 C ATOM 1311 CG PRO A 82 -4.173 13.024 7.593 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.068 11.946 6.550 1.00 0.00 C ATOM 0 HA PRO A 82 -5.251 14.414 4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.634 15.107 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.979 14.039 7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.185 13.339 7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.710 12.666 8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.146 11.375 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.892 11.236 6.621 1.00 0.00 H new ATOM 1320 N SER A 83 -3.616 16.240 4.729 1.00 0.00 N ATOM 1321 CA SER A 83 -2.591 17.237 4.440 1.00 0.00 C ATOM 1322 C SER A 83 -3.156 18.648 4.566 1.00 0.00 C ATOM 1323 O SER A 83 -4.305 18.918 4.214 1.00 0.00 O ATOM 1324 CB SER A 83 -2.025 17.025 3.035 1.00 0.00 C ATOM 1325 OG SER A 83 -1.362 15.777 2.935 1.00 0.00 O ATOM 0 H SER A 83 -4.568 16.540 4.518 1.00 0.00 H new ATOM 0 HA SER A 83 -1.788 17.119 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.832 17.071 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.330 17.830 2.794 1.00 0.00 H new ATOM 0 HG SER A 83 -1.011 15.665 2.027 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.330 19.571 5.081 1.00 0.00 N ATOM 1332 CA PRO A 84 -2.724 20.971 5.266 1.00 0.00 C ATOM 1333 C PRO A 84 -2.881 21.709 3.940 1.00 0.00 C ATOM 1334 O PRO A 84 -3.234 22.887 3.914 1.00 0.00 O ATOM 1335 CB PRO A 84 -1.566 21.562 6.073 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.396 20.701 5.743 1.00 0.00 C ATOM 1337 CD PRO A 84 -0.948 19.320 5.522 1.00 0.00 C ATOM 0 HA PRO A 84 -3.693 21.060 5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.383 22.601 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.780 21.547 7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.117 21.064 4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.333 20.705 6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.379 18.776 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.919 18.725 6.435 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.617 21.007 2.843 1.00 0.00 N ATOM 1346 CA GLU A 85 -2.729 21.597 1.514 1.00 0.00 C ATOM 1347 C GLU A 85 -3.936 21.034 0.768 1.00 0.00 C ATOM 1348 O GLU A 85 -4.469 21.668 -0.140 1.00 0.00 O ATOM 1349 CB GLU A 85 -1.453 21.341 0.709 1.00 0.00 C ATOM 1350 CG GLU A 85 -1.138 19.867 0.520 1.00 0.00 C ATOM 1351 CD GLU A 85 -0.048 19.630 -0.508 1.00 0.00 C ATOM 1352 OE1 GLU A 85 1.125 19.937 -0.211 1.00 0.00 O ATOM 1353 OE2 GLU A 85 -0.370 19.136 -1.609 1.00 0.00 O ATOM 0 H GLU A 85 -2.324 20.030 2.848 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.866 22.672 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.550 21.811 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.614 21.822 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.831 19.440 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.043 19.343 0.212 1.00 0.00 H new ATOM 1360 N GLY A 86 -4.360 19.836 1.160 1.00 0.00 N ATOM 1361 CA GLY A 86 -5.499 19.206 0.519 1.00 0.00 C ATOM 1362 C GLY A 86 -5.708 17.778 0.981 1.00 0.00 C ATOM 1363 O GLY A 86 -5.627 17.486 2.174 1.00 0.00 O ATOM 0 H GLY A 86 -3.935 19.291 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.397 19.787 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.356 19.218 -0.562 1.00 0.00 H new ATOM 1367 N MET A 87 -5.981 16.885 0.034 1.00 0.00 N ATOM 1368 CA MET A 87 -6.203 15.479 0.352 1.00 0.00 C ATOM 1369 C MET A 87 -5.478 14.577 -0.642 1.00 0.00 C ATOM 1370 O MET A 87 -5.619 14.735 -1.855 1.00 0.00 O ATOM 1371 CB MET A 87 -7.700 15.164 0.347 1.00 0.00 C ATOM 1372 CG MET A 87 -8.023 13.746 0.790 1.00 0.00 C ATOM 1373 SD MET A 87 -7.975 13.550 2.582 1.00 0.00 S ATOM 1374 CE MET A 87 -6.592 12.426 2.762 1.00 0.00 C ATOM 0 H MET A 87 -6.054 17.110 -0.958 1.00 0.00 H new ATOM 0 HA MET A 87 -5.802 15.289 1.348 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.213 15.867 1.003 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.093 15.321 -0.658 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.013 13.472 0.425 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.313 13.056 0.334 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.142 12.557 3.746 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.942 11.399 2.657 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.849 12.637 1.992 1.00 0.00 H new ATOM 1384 N SER A 88 -4.703 13.632 -0.120 1.00 0.00 N ATOM 1385 CA SER A 88 -3.953 12.707 -0.962 1.00 0.00 C ATOM 1386 C SER A 88 -4.632 11.341 -1.007 1.00 0.00 C ATOM 1387 O SER A 88 -4.463 10.523 -0.104 1.00 0.00 O ATOM 1388 CB SER A 88 -2.521 12.561 -0.446 1.00 0.00 C ATOM 1389 OG SER A 88 -1.695 11.924 -1.405 1.00 0.00 O ATOM 0 H SER A 88 -4.578 13.487 0.882 1.00 0.00 H new ATOM 0 HA SER A 88 -3.927 13.114 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.115 13.544 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.522 11.984 0.479 1.00 0.00 H new ATOM 0 HG SER A 88 -0.785 11.844 -1.051 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.400 11.103 -2.066 1.00 0.00 N ATOM 1396 CA GLU A 89 -6.105 9.837 -2.228 1.00 0.00 C ATOM 1397 C GLU A 89 -5.410 8.957 -3.263 1.00 0.00 C ATOM 1398 O GLU A 89 -5.315 9.318 -4.436 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.556 10.085 -2.645 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.462 8.883 -2.440 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.932 9.256 -2.424 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -10.298 10.192 -1.682 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -10.716 8.614 -3.154 1.00 0.00 O ATOM 0 H GLU A 89 -5.550 11.770 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.094 9.319 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.950 10.927 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.579 10.372 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.284 8.159 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.205 8.395 -1.500 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.927 7.801 -2.820 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.243 6.869 -3.707 1.00 0.00 C ATOM 1412 C ILE A 90 -4.925 5.506 -3.705 1.00 0.00 C ATOM 1413 O ILE A 90 -5.284 4.981 -2.651 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.766 6.692 -3.306 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.964 7.946 -3.662 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -2.175 5.467 -3.989 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -0.697 8.103 -2.851 1.00 0.00 C ATOM 0 H ILE A 90 -4.997 7.488 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.291 7.295 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.713 6.544 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.707 7.914 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.592 8.824 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.131 5.355 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.733 4.579 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.237 5.588 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.180 9.013 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.948 8.167 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.049 7.243 -3.019 1.00 0.00 H new ATOM 1429 N TYR A 91 -5.101 4.936 -4.892 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.741 3.634 -5.028 1.00 0.00 C ATOM 1431 C TYR A 91 -4.712 2.550 -5.334 1.00 0.00 C ATOM 1432 O TYR A 91 -4.069 2.566 -6.385 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.799 3.674 -6.132 1.00 0.00 C ATOM 1434 CG TYR A 91 -8.014 4.501 -5.777 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.614 4.387 -4.528 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.563 5.394 -6.688 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.725 5.140 -4.199 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.673 6.151 -6.367 1.00 0.00 C ATOM 1439 CZ TYR A 91 -10.250 6.020 -5.121 1.00 0.00 C ATOM 1440 OH TYR A 91 -11.357 6.772 -4.798 1.00 0.00 O ATOM 0 H TYR A 91 -4.809 5.356 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.223 3.395 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.349 4.076 -7.040 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.116 2.656 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.205 3.699 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.114 5.498 -7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.180 5.040 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.087 6.841 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.072 7.650 -4.471 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.561 1.608 -4.409 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.611 0.515 -4.579 1.00 0.00 C ATOM 1452 C LEU A 92 -4.337 -0.816 -4.749 1.00 0.00 C ATOM 1453 O LEU A 92 -5.117 -1.223 -3.889 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.666 0.443 -3.378 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.871 1.713 -3.073 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.183 1.600 -1.721 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.852 1.980 -4.171 1.00 0.00 C ATOM 0 H LEU A 92 -5.084 1.580 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.030 0.709 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.251 0.184 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.961 -0.372 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.564 2.553 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.622 2.513 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.932 1.456 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.501 0.750 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.295 2.888 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.162 1.139 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.368 2.105 -5.123 1.00 0.00 H new ATOM 1469 N ARG A 93 -4.072 -1.490 -5.864 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.699 -2.775 -6.147 1.00 0.00 C ATOM 1471 C ARG A 93 -3.646 -3.860 -6.353 1.00 0.00 C ATOM 1472 O ARG A 93 -2.761 -3.727 -7.199 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.589 -2.671 -7.387 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.305 -3.966 -7.734 1.00 0.00 C ATOM 1475 CD ARG A 93 -7.621 -4.093 -6.984 1.00 0.00 C ATOM 1476 NE ARG A 93 -8.571 -3.051 -7.365 1.00 0.00 N ATOM 1477 CZ ARG A 93 -9.184 -3.010 -8.543 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -8.948 -3.948 -9.449 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -10.035 -2.029 -8.815 1.00 0.00 N ATOM 0 H ARG A 93 -3.427 -1.167 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.314 -3.047 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.330 -1.888 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.979 -2.364 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.492 -4.004 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.664 -4.814 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.058 -5.072 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.434 -4.038 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.775 -2.314 -6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.295 -4.704 -9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.420 -3.914 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.219 -1.306 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.505 -1.998 -9.720 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.749 -4.932 -5.575 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.805 -6.040 -5.672 1.00 0.00 C ATOM 1495 C CYS A 94 -3.315 -7.107 -6.634 1.00 0.00 C ATOM 1496 O CYS A 94 -4.467 -7.066 -7.067 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.565 -6.654 -4.292 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.777 -5.532 -3.112 1.00 0.00 S ATOM 0 H CYS A 94 -4.476 -5.057 -4.871 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.863 -5.650 -6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.520 -6.984 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.943 -7.542 -4.404 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.113 -4.307 -3.387 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.450 -8.060 -6.967 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.813 -9.136 -7.880 1.00 0.00 C ATOM 1506 C GLN A 95 -3.492 -10.279 -7.133 1.00 0.00 C ATOM 1507 O GLN A 95 -4.468 -10.855 -7.613 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.573 -9.654 -8.611 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.893 -10.590 -9.765 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.691 -11.400 -10.210 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.053 -11.932 -9.385 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.495 -11.500 -11.519 1.00 0.00 N ATOM 0 H GLN A 95 -1.493 -8.108 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.516 -8.736 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.004 -8.805 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.933 -10.175 -7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.693 -11.268 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.266 -10.008 -10.607 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.136 -11.043 -12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.297 -12.034 -11.877 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.968 -10.602 -5.956 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.524 -11.677 -5.141 1.00 0.00 C ATOM 1523 C ASP A 96 -3.702 -11.225 -3.694 1.00 0.00 C ATOM 1524 O ASP A 96 -3.327 -10.111 -3.332 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.619 -12.908 -5.196 1.00 0.00 C ATOM 1526 CG ASP A 96 -2.403 -13.405 -6.612 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -3.351 -13.322 -7.421 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -1.286 -13.878 -6.912 1.00 0.00 O ATOM 0 H ASP A 96 -2.160 -10.136 -5.545 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.502 -11.937 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.655 -12.667 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.059 -13.706 -4.597 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.276 -12.099 -2.873 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.505 -11.788 -1.467 1.00 0.00 C ATOM 1535 C GLU A 97 -3.195 -11.812 -0.685 1.00 0.00 C ATOM 1536 O GLU A 97 -3.042 -11.103 0.310 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.495 -12.783 -0.857 1.00 0.00 C ATOM 1538 CG GLU A 97 -4.900 -14.159 -0.611 1.00 0.00 C ATOM 1539 CD GLU A 97 -5.068 -15.088 -1.798 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.120 -15.754 -1.887 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -4.145 -15.148 -2.638 1.00 0.00 O ATOM 0 H GLU A 97 -4.591 -13.027 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.926 -10.784 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.865 -12.382 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.354 -12.881 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.839 -14.056 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.373 -14.604 0.264 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.255 -12.632 -1.142 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.958 -12.750 -0.484 1.00 0.00 C ATOM 1550 C GLN A 98 -0.284 -11.387 -0.363 1.00 0.00 C ATOM 1551 O GLN A 98 -0.024 -10.910 0.741 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.055 -13.712 -1.258 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.397 -15.177 -1.038 1.00 0.00 C ATOM 1554 CD GLN A 98 0.335 -15.776 0.146 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.804 -15.057 1.029 1.00 0.00 O ATOM 1556 NE2 GLN A 98 0.438 -17.099 0.171 1.00 0.00 N ATOM 0 H GLN A 98 -2.366 -13.225 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.122 -13.145 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.126 -13.487 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.981 -13.541 -0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.471 -15.276 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.150 -15.743 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.034 -17.656 -0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.921 -17.558 0.943 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.005 -10.767 -1.505 1.00 0.00 N ATOM 1566 CA GLN A 99 0.640 -9.460 -1.526 1.00 0.00 C ATOM 1567 C GLN A 99 -0.197 -8.427 -0.778 1.00 0.00 C ATOM 1568 O GLN A 99 0.339 -7.556 -0.093 1.00 0.00 O ATOM 1569 CB GLN A 99 0.867 -9.002 -2.967 1.00 0.00 C ATOM 1570 CG GLN A 99 1.772 -7.786 -3.085 1.00 0.00 C ATOM 1571 CD GLN A 99 3.242 -8.155 -3.137 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.601 -9.332 -3.086 1.00 0.00 O ATOM 1573 NE2 GLN A 99 4.101 -7.148 -3.241 1.00 0.00 N ATOM 0 H GLN A 99 -0.215 -11.149 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 99 1.604 -9.552 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.301 -9.824 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.096 -8.773 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.509 -7.228 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.597 -7.124 -2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.759 -6.188 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.103 -7.335 -3.282 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.515 -8.531 -0.915 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.427 -7.604 -0.255 1.00 0.00 C ATOM 1584 C TYR A 100 -2.239 -7.640 1.259 1.00 0.00 C ATOM 1585 O TYR A 100 -1.780 -6.671 1.862 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.876 -7.943 -0.609 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.873 -7.506 0.440 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.168 -6.161 0.628 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.522 -8.437 1.242 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.078 -5.756 1.586 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.435 -8.042 2.201 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.709 -6.700 2.369 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.617 -6.302 3.323 1.00 0.00 O ATOM 0 H TYR A 100 -1.975 -9.247 -1.477 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.200 -6.598 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.129 -7.471 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.963 -9.020 -0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.678 -5.419 0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.309 -9.488 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.294 -4.706 1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.931 -8.779 2.815 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.971 -7.090 3.786 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.597 -8.767 1.866 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.466 -8.932 3.308 1.00 0.00 C ATOM 1605 C ALA A 101 -1.178 -8.296 3.819 1.00 0.00 C ATOM 1606 O ALA A 101 -1.189 -7.552 4.800 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.511 -10.408 3.677 1.00 0.00 C ATOM 0 H ALA A 101 -2.980 -9.579 1.381 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.305 -8.424 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.412 -10.516 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.461 -10.835 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.692 -10.932 3.183 1.00 0.00 H new ATOM 1613 N ARG A 102 -0.070 -8.594 3.149 1.00 0.00 N ATOM 1614 CA ARG A 102 1.227 -8.052 3.536 1.00 0.00 C ATOM 1615 C ARG A 102 1.168 -6.531 3.650 1.00 0.00 C ATOM 1616 O ARG A 102 1.318 -5.975 4.738 1.00 0.00 O ATOM 1617 CB ARG A 102 2.297 -8.457 2.521 1.00 0.00 C ATOM 1618 CG ARG A 102 2.665 -9.931 2.580 1.00 0.00 C ATOM 1619 CD ARG A 102 3.499 -10.345 1.378 1.00 0.00 C ATOM 1620 NE ARG A 102 3.843 -11.764 1.413 1.00 0.00 N ATOM 1621 CZ ARG A 102 4.172 -12.467 0.335 1.00 0.00 C ATOM 1622 NH1 ARG A 102 4.201 -11.887 -0.856 1.00 0.00 N ATOM 1623 NH2 ARG A 102 4.472 -13.755 0.448 1.00 0.00 N ATOM 0 H ARG A 102 -0.044 -9.208 2.335 1.00 0.00 H new ATOM 0 HA ARG A 102 1.488 -8.463 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.943 -8.219 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.193 -7.860 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.220 -10.132 3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.757 -10.533 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.948 -10.128 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.413 -9.751 1.349 1.00 0.00 H new ATOM 0 HE ARG A 102 3.830 -12.241 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.970 -10.898 -0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.454 -12.430 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.450 -14.205 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.725 -14.294 -0.380 1.00 0.00 H new ATOM 1637 N TRP A 103 0.951 -5.867 2.521 1.00 0.00 N ATOM 1638 CA TRP A 103 0.874 -4.411 2.495 1.00 0.00 C ATOM 1639 C TRP A 103 -0.190 -3.904 3.463 1.00 0.00 C ATOM 1640 O TRP A 103 0.099 -3.105 4.353 1.00 0.00 O ATOM 1641 CB TRP A 103 0.566 -3.922 1.078 1.00 0.00 C ATOM 1642 CG TRP A 103 1.766 -3.912 0.180 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.264 -4.964 -0.534 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.619 -2.796 -0.098 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.375 -4.570 -1.239 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.613 -3.244 -0.990 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.638 -1.462 0.317 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.615 -2.404 -1.470 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.633 -0.630 -0.160 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.610 -1.103 -1.047 1.00 0.00 C ATOM 0 H TRP A 103 0.825 -6.313 1.612 1.00 0.00 H new ATOM 0 HA TRP A 103 1.840 -4.015 2.807 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -0.202 -4.560 0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.152 -2.915 1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 103 1.846 -5.960 -0.543 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.933 -5.168 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 103 1.888 -1.088 0.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.369 -2.767 -2.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.658 0.402 0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.373 -0.427 -1.403 1.00 0.00 H new ATOM 1661 N MET A 104 -1.420 -4.374 3.283 1.00 0.00 N ATOM 1662 CA MET A 104 -2.526 -3.969 4.142 1.00 0.00 C ATOM 1663 C MET A 104 -2.087 -3.912 5.602 1.00 0.00 C ATOM 1664 O MET A 104 -2.076 -2.845 6.215 1.00 0.00 O ATOM 1665 CB MET A 104 -3.701 -4.936 3.988 1.00 0.00 C ATOM 1666 CG MET A 104 -4.827 -4.688 4.979 1.00 0.00 C ATOM 1667 SD MET A 104 -5.135 -2.933 5.254 1.00 0.00 S ATOM 1668 CE MET A 104 -6.491 -2.645 4.120 1.00 0.00 C ATOM 0 H MET A 104 -1.676 -5.036 2.550 1.00 0.00 H new ATOM 0 HA MET A 104 -2.844 -2.972 3.837 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.096 -4.857 2.975 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.339 -5.957 4.110 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.739 -5.160 4.613 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.581 -5.163 5.929 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.644 -1.572 4.000 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.256 -3.088 3.152 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.399 -3.099 4.516 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.727 -5.067 6.152 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.287 -5.148 7.539 1.00 0.00 C ATOM 1680 C ALA A 105 -0.274 -4.053 7.858 1.00 0.00 C ATOM 1681 O ALA A 105 -0.195 -3.577 8.990 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.692 -6.519 7.825 1.00 0.00 C ATOM 0 H ALA A 105 -1.731 -5.959 5.658 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.157 -5.001 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.368 -6.565 8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.444 -7.287 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.163 -6.688 7.170 1.00 0.00 H new ATOM 1688 N GLY A 106 0.501 -3.659 6.852 1.00 0.00 N ATOM 1689 CA GLY A 106 1.499 -2.623 7.047 1.00 0.00 C ATOM 1690 C GLY A 106 0.881 -1.263 7.302 1.00 0.00 C ATOM 1691 O GLY A 106 1.216 -0.596 8.282 1.00 0.00 O ATOM 0 H GLY A 106 0.456 -4.038 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.138 -2.892 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.139 -2.569 6.166 1.00 0.00 H new ATOM 1695 N CYS A 107 -0.020 -0.849 6.418 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.684 0.443 6.551 1.00 0.00 C ATOM 1697 C CYS A 107 -1.491 0.509 7.844 1.00 0.00 C ATOM 1698 O CYS A 107 -1.554 1.551 8.495 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.599 0.695 5.352 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.719 1.098 3.824 1.00 0.00 S ATOM 0 H CYS A 107 -0.307 -1.389 5.602 1.00 0.00 H new ATOM 0 HA CYS A 107 0.083 1.217 6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -2.211 -0.191 5.183 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -2.279 1.512 5.593 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.577 1.292 2.867 1.00 0.00 H new ATOM 1706 N ARG A 108 -2.108 -0.611 8.208 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.913 -0.679 9.422 1.00 0.00 C ATOM 1708 C ARG A 108 -2.063 -0.393 10.656 1.00 0.00 C ATOM 1709 O ARG A 108 -2.516 0.259 11.598 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.567 -2.056 9.548 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.770 -2.245 8.639 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.087 -3.718 8.434 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.253 -4.424 9.701 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.385 -4.432 10.396 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.446 -3.775 9.948 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.457 -5.098 11.542 1.00 0.00 N ATOM 0 H ARG A 108 -2.066 -1.483 7.680 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.691 0.081 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.826 -2.823 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.876 -2.209 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.636 -1.742 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.576 -1.776 7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.998 -3.814 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.286 -4.185 7.861 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.456 -4.940 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.394 -3.262 9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.314 -3.783 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.643 -5.604 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.327 -5.103 12.075 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.828 -0.883 10.644 1.00 0.00 N ATOM 1731 CA LEU A 109 0.087 -0.681 11.762 1.00 0.00 C ATOM 1732 C LEU A 109 0.531 0.776 11.845 1.00 0.00 C ATOM 1733 O LEU A 109 0.395 1.418 12.886 1.00 0.00 O ATOM 1734 CB LEU A 109 1.308 -1.590 11.619 1.00 0.00 C ATOM 1735 CG LEU A 109 1.058 -3.086 11.817 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.220 -3.899 11.270 1.00 0.00 C ATOM 1737 CD2 LEU A 109 0.832 -3.398 13.289 1.00 0.00 C ATOM 0 H LEU A 109 -0.437 -1.423 9.872 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.441 -0.935 12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.732 -1.441 10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.061 -1.269 12.339 1.00 0.00 H new ATOM 0 HG LEU A 109 0.159 -3.361 11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.024 -4.961 11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.335 -3.698 10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.136 -3.622 11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.656 -4.467 13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.713 -3.107 13.862 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.034 -2.844 13.650 1.00 0.00 H new ATOM 1749 N ALA A 110 1.060 1.292 10.741 1.00 0.00 N ATOM 1750 CA ALA A 110 1.520 2.674 10.687 1.00 0.00 C ATOM 1751 C ALA A 110 0.385 3.643 11.005 1.00 0.00 C ATOM 1752 O ALA A 110 0.569 4.606 11.749 1.00 0.00 O ATOM 1753 CB ALA A 110 2.111 2.981 9.319 1.00 0.00 C ATOM 0 H ALA A 110 1.181 0.773 9.871 1.00 0.00 H new ATOM 0 HA ALA A 110 2.295 2.803 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.450 4.017 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.955 2.318 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.351 2.829 8.552 1.00 0.00 H new ATOM 1759 N SER A 111 -0.787 3.382 10.435 1.00 0.00 N ATOM 1760 CA SER A 111 -1.950 4.233 10.654 1.00 0.00 C ATOM 1761 C SER A 111 -2.037 4.669 12.114 1.00 0.00 C ATOM 1762 O SER A 111 -2.322 5.829 12.412 1.00 0.00 O ATOM 1763 CB SER A 111 -3.230 3.498 10.251 1.00 0.00 C ATOM 1764 OG SER A 111 -4.381 4.211 10.671 1.00 0.00 O ATOM 0 H SER A 111 -0.956 2.588 9.818 1.00 0.00 H new ATOM 0 HA SER A 111 -1.841 5.123 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.253 3.368 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.235 2.501 10.692 1.00 0.00 H new ATOM 0 HG SER A 111 -4.468 5.032 10.143 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.791 3.729 13.020 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.840 4.013 14.450 1.00 0.00 C ATOM 1772 C LYS A 112 -0.445 4.299 14.995 1.00 0.00 C ATOM 1773 O LYS A 112 -0.294 4.943 16.033 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.462 2.835 15.203 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.937 2.630 14.901 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.786 3.746 15.488 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.259 3.367 15.518 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.560 2.399 16.608 1.00 0.00 N ATOM 0 H LYS A 112 -1.556 2.764 12.790 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.458 4.899 14.599 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.918 1.925 14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.338 2.993 16.274 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.086 2.587 13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.263 1.672 15.306 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.446 3.970 16.499 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.654 4.654 14.899 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.862 4.265 15.653 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.542 2.934 14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.590 2.295 16.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.139 1.476 16.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.161 2.749 17.503 1.00 0.00 H new ATOM 1792 N GLY A 113 0.573 3.818 14.288 1.00 0.00 N ATOM 1793 CA GLY A 113 1.942 4.035 14.717 1.00 0.00 C ATOM 1794 C GLY A 113 2.778 2.772 14.647 1.00 0.00 C ATOM 1795 O GLY A 113 3.962 2.822 14.313 1.00 0.00 O ATOM 0 H GLY A 113 0.474 3.282 13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.398 4.804 14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.944 4.412 15.740 1.00 0.00 H new ATOM 1799 N ARG A 114 2.162 1.638 14.963 1.00 0.00 N ATOM 1800 CA ARG A 114 2.858 0.357 14.937 1.00 0.00 C ATOM 1801 C ARG A 114 3.609 0.173 13.621 1.00 0.00 C ATOM 1802 O ARG A 114 3.313 0.836 12.626 1.00 0.00 O ATOM 1803 CB ARG A 114 1.867 -0.791 15.136 1.00 0.00 C ATOM 1804 CG ARG A 114 1.267 -0.843 16.531 1.00 0.00 C ATOM 1805 CD ARG A 114 -0.063 -1.579 16.539 1.00 0.00 C ATOM 1806 NE ARG A 114 -1.093 -0.855 15.799 1.00 0.00 N ATOM 1807 CZ ARG A 114 -2.333 -1.305 15.634 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -2.693 -2.470 16.154 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -3.214 -0.588 14.948 1.00 0.00 N ATOM 0 H ARG A 114 1.182 1.580 15.240 1.00 0.00 H new ATOM 0 HA ARG A 114 3.581 0.348 15.753 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.062 -0.695 14.407 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.372 -1.735 14.932 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.962 -1.338 17.209 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.125 0.171 16.905 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.068 -2.569 16.103 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.391 -1.725 17.568 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.848 0.045 15.386 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -2.018 -3.023 16.682 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.645 -2.813 16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.940 0.309 14.547 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.165 -0.934 14.822 1.00 0.00 H new ATOM 1823 N THR A 115 4.583 -0.731 13.623 1.00 0.00 N ATOM 1824 CA THR A 115 5.377 -1.002 12.431 1.00 0.00 C ATOM 1825 C THR A 115 5.533 -2.501 12.202 1.00 0.00 C ATOM 1826 O THR A 115 4.947 -3.311 12.919 1.00 0.00 O ATOM 1827 CB THR A 115 6.775 -0.361 12.530 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.581 -1.088 13.463 1.00 0.00 O ATOM 1829 CG2 THR A 115 6.674 1.093 12.963 1.00 0.00 C ATOM 0 H THR A 115 4.841 -1.288 14.437 1.00 0.00 H new ATOM 0 HA THR A 115 4.842 -0.563 11.589 1.00 0.00 H new ATOM 0 HB THR A 115 7.239 -0.398 11.544 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.468 -0.676 13.519 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.673 1.524 13.026 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.084 1.649 12.235 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.192 1.149 13.939 1.00 0.00 H new ATOM 1837 N MET A 116 6.326 -2.862 11.199 1.00 0.00 N ATOM 1838 CA MET A 116 6.559 -4.266 10.877 1.00 0.00 C ATOM 1839 C MET A 116 7.654 -4.851 11.763 1.00 0.00 C ATOM 1840 O MET A 116 8.238 -5.886 11.442 1.00 0.00 O ATOM 1841 CB MET A 116 6.944 -4.416 9.404 1.00 0.00 C ATOM 1842 CG MET A 116 5.771 -4.259 8.451 1.00 0.00 C ATOM 1843 SD MET A 116 6.090 -4.985 6.832 1.00 0.00 S ATOM 1844 CE MET A 116 7.607 -4.148 6.378 1.00 0.00 C ATOM 0 H MET A 116 6.818 -2.203 10.595 1.00 0.00 H new ATOM 0 HA MET A 116 5.635 -4.814 11.061 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.703 -3.674 9.158 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.396 -5.396 9.253 1.00 0.00 H new ATOM 0 HG2 MET A 116 4.888 -4.727 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.544 -3.200 8.332 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.745 -4.205 5.298 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.551 -3.103 6.682 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.450 -4.626 6.877 1.00 0.00 H new ATOM 1854 N ALA A 117 7.927 -4.183 12.879 1.00 0.00 N ATOM 1855 CA ALA A 117 8.951 -4.638 13.812 1.00 0.00 C ATOM 1856 C ALA A 117 8.371 -4.839 15.208 1.00 0.00 C ATOM 1857 O ALA A 117 9.110 -4.971 16.184 1.00 0.00 O ATOM 1858 CB ALA A 117 10.104 -3.647 13.855 1.00 0.00 C ATOM 0 H ALA A 117 7.453 -3.324 13.159 1.00 0.00 H new ATOM 0 HA ALA A 117 9.326 -5.599 13.461 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.861 -4.000 14.556 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.543 -3.556 12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.735 -2.674 14.179 1.00 0.00 H new ATOM 1864 N ASP A 118 7.046 -4.861 15.295 1.00 0.00 N ATOM 1865 CA ASP A 118 6.367 -5.047 16.572 1.00 0.00 C ATOM 1866 C ASP A 118 6.027 -6.517 16.799 1.00 0.00 C ATOM 1867 O ASP A 118 5.071 -6.842 17.503 1.00 0.00 O ATOM 1868 CB ASP A 118 5.092 -4.202 16.624 1.00 0.00 C ATOM 1869 CG ASP A 118 4.365 -4.332 17.948 1.00 0.00 C ATOM 1870 OD1 ASP A 118 5.021 -4.672 18.955 1.00 0.00 O ATOM 1871 OD2 ASP A 118 3.140 -4.093 17.978 1.00 0.00 O ATOM 0 H ASP A 118 6.421 -4.752 14.497 1.00 0.00 H new ATOM 0 HA ASP A 118 7.042 -4.723 17.364 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.346 -3.156 16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.426 -4.504 15.816 1.00 0.00 H new ATOM 1876 N SER A 119 6.816 -7.401 16.196 1.00 0.00 N ATOM 1877 CA SER A 119 6.596 -8.836 16.328 1.00 0.00 C ATOM 1878 C SER A 119 5.105 -9.160 16.322 1.00 0.00 C ATOM 1879 O SER A 119 4.663 -10.115 16.960 1.00 0.00 O ATOM 1880 CB SER A 119 7.236 -9.355 17.617 1.00 0.00 C ATOM 1881 OG SER A 119 7.053 -10.754 17.750 1.00 0.00 O ATOM 0 H SER A 119 7.613 -7.148 15.612 1.00 0.00 H new ATOM 0 HA SER A 119 7.061 -9.330 15.475 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.301 -9.123 17.617 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.798 -8.845 18.475 1.00 0.00 H new ATOM 0 HG SER A 119 6.123 -10.984 17.542 1.00 0.00 H new ATOM 1887 N SER A 120 4.334 -8.357 15.595 1.00 0.00 N ATOM 1888 CA SER A 120 2.892 -8.555 15.507 1.00 0.00 C ATOM 1889 C SER A 120 2.417 -8.452 14.061 1.00 0.00 C ATOM 1890 O SER A 120 1.478 -9.136 13.655 1.00 0.00 O ATOM 1891 CB SER A 120 2.162 -7.525 16.371 1.00 0.00 C ATOM 1892 OG SER A 120 2.238 -7.865 17.745 1.00 0.00 O ATOM 0 H SER A 120 4.684 -7.563 15.059 1.00 0.00 H new ATOM 0 HA SER A 120 2.663 -9.555 15.875 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.598 -6.539 16.213 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.117 -7.464 16.065 1.00 0.00 H new ATOM 0 HG SER A 120 3.133 -7.655 18.085 1.00 0.00 H new ATOM 1898 N TYR A 121 3.072 -7.592 13.290 1.00 0.00 N ATOM 1899 CA TYR A 121 2.715 -7.396 11.890 1.00 0.00 C ATOM 1900 C TYR A 121 2.327 -8.719 11.237 1.00 0.00 C ATOM 1901 O TYR A 121 1.199 -8.889 10.771 1.00 0.00 O ATOM 1902 CB TYR A 121 3.881 -6.762 11.129 1.00 0.00 C ATOM 1903 CG TYR A 121 3.877 -7.070 9.648 1.00 0.00 C ATOM 1904 CD1 TYR A 121 2.806 -6.702 8.845 1.00 0.00 C ATOM 1905 CD2 TYR A 121 4.946 -7.730 9.054 1.00 0.00 C ATOM 1906 CE1 TYR A 121 2.798 -6.982 7.492 1.00 0.00 C ATOM 1907 CE2 TYR A 121 4.947 -8.013 7.701 1.00 0.00 C ATOM 1908 CZ TYR A 121 3.871 -7.638 6.925 1.00 0.00 C ATOM 1909 OH TYR A 121 3.867 -7.917 5.578 1.00 0.00 O ATOM 0 H TYR A 121 3.853 -7.019 13.610 1.00 0.00 H new ATOM 0 HA TYR A 121 1.856 -6.726 11.850 1.00 0.00 H new ATOM 0 HB2 TYR A 121 3.849 -5.681 11.267 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.819 -7.111 11.562 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.965 -6.188 9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.790 -8.027 9.659 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.956 -6.689 6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.786 -8.525 7.254 1.00 0.00 H new ATOM 0 HH TYR A 121 4.696 -8.381 5.338 1.00 0.00 H new ATOM 1919 N THR A 122 3.270 -9.656 11.206 1.00 0.00 N ATOM 1920 CA THR A 122 3.028 -10.964 10.610 1.00 0.00 C ATOM 1921 C THR A 122 1.736 -11.577 11.136 1.00 0.00 C ATOM 1922 O THR A 122 1.030 -12.278 10.411 1.00 0.00 O ATOM 1923 CB THR A 122 4.193 -11.932 10.889 1.00 0.00 C ATOM 1924 OG1 THR A 122 4.044 -13.119 10.102 1.00 0.00 O ATOM 1925 CG2 THR A 122 4.250 -12.300 12.364 1.00 0.00 C ATOM 0 H THR A 122 4.208 -9.533 11.587 1.00 0.00 H new ATOM 0 HA THR A 122 2.942 -10.810 9.534 1.00 0.00 H new ATOM 0 HB THR A 122 5.123 -11.432 10.619 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.790 -13.728 10.284 1.00 0.00 H new ATOM 0 HG21 THR A 122 5.081 -12.984 12.536 1.00 0.00 H new ATOM 0 HG22 THR A 122 4.394 -11.398 12.959 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.317 -12.782 12.655 1.00 0.00 H new ATOM 1933 N SER A 123 1.431 -11.309 12.401 1.00 0.00 N ATOM 1934 CA SER A 123 0.223 -11.838 13.026 1.00 0.00 C ATOM 1935 C SER A 123 -1.012 -11.491 12.200 1.00 0.00 C ATOM 1936 O SER A 123 -1.933 -12.296 12.074 1.00 0.00 O ATOM 1937 CB SER A 123 0.074 -11.286 14.444 1.00 0.00 C ATOM 1938 OG SER A 123 -0.648 -12.185 15.268 1.00 0.00 O ATOM 0 H SER A 123 2.003 -10.729 13.014 1.00 0.00 H new ATOM 0 HA SER A 123 0.313 -12.923 13.074 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.060 -11.106 14.873 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.440 -10.325 14.411 1.00 0.00 H new ATOM 0 HG SER A 123 -0.728 -11.810 16.170 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.021 -10.285 11.639 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.143 -9.831 10.826 1.00 0.00 C ATOM 1946 C GLU A 124 -2.180 -10.567 9.489 1.00 0.00 C ATOM 1947 O GLU A 124 -3.197 -11.153 9.118 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.051 -8.322 10.587 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.675 -7.492 11.696 1.00 0.00 C ATOM 1950 CD GLU A 124 -4.096 -7.915 12.013 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -4.835 -8.267 11.070 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -4.469 -7.894 13.205 1.00 0.00 O ATOM 0 H GLU A 124 -0.265 -9.606 11.733 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.063 -10.051 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.003 -8.042 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.542 -8.081 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.065 -7.578 12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -2.669 -6.441 11.406 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.063 -10.531 8.770 1.00 0.00 N ATOM 1960 CA VAL A 125 -0.966 -11.194 7.475 1.00 0.00 C ATOM 1961 C VAL A 125 -1.596 -12.582 7.520 1.00 0.00 C ATOM 1962 O VAL A 125 -2.302 -12.983 6.595 1.00 0.00 O ATOM 1963 CB VAL A 125 0.500 -11.323 7.019 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.587 -12.107 5.718 1.00 0.00 C ATOM 1965 CG2 VAL A 125 1.132 -9.948 6.866 1.00 0.00 C ATOM 0 H VAL A 125 -0.212 -10.050 9.062 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.508 -10.574 6.761 1.00 0.00 H new ATOM 0 HB VAL A 125 1.054 -11.870 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.630 -12.188 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.174 -13.105 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.020 -11.591 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.167 -10.057 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.579 -9.374 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.103 -9.426 7.822 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.337 -13.309 8.602 1.00 0.00 N ATOM 1976 CA GLN A 126 -1.880 -14.652 8.766 1.00 0.00 C ATOM 1977 C GLN A 126 -3.395 -14.610 8.937 1.00 0.00 C ATOM 1978 O GLN A 126 -4.134 -15.217 8.163 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.238 -15.340 9.972 1.00 0.00 C ATOM 1980 CG GLN A 126 0.277 -15.211 10.011 1.00 0.00 C ATOM 1981 CD GLN A 126 0.977 -16.334 9.273 1.00 0.00 C ATOM 1982 OE1 GLN A 126 0.425 -17.422 9.106 1.00 0.00 O ATOM 1983 NE2 GLN A 126 2.201 -16.076 8.826 1.00 0.00 N ATOM 0 H GLN A 126 -0.755 -12.991 9.377 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.650 -15.222 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.654 -14.916 10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.504 -16.397 9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.568 -14.256 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.610 -15.200 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.620 -15.160 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.722 -16.794 8.322 1.00 0.00 H new ATOM 1992 N ALA A 127 -3.850 -13.890 9.957 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.277 -13.767 10.229 1.00 0.00 C ATOM 1994 C ALA A 127 -6.048 -13.410 8.962 1.00 0.00 C ATOM 1995 O ALA A 127 -7.094 -13.994 8.676 1.00 0.00 O ATOM 1996 CB ALA A 127 -5.521 -12.724 11.309 1.00 0.00 C ATOM 0 H ALA A 127 -3.251 -13.383 10.609 1.00 0.00 H new ATOM 0 HA ALA A 127 -5.639 -14.732 10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.591 -12.643 11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.009 -13.021 12.224 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.138 -11.759 10.976 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.527 -12.447 8.209 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.167 -12.013 6.974 1.00 0.00 C ATOM 2004 C ILE A 128 -6.386 -13.188 6.026 1.00 0.00 C ATOM 2005 O ILE A 128 -7.522 -13.526 5.691 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.332 -10.937 6.256 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.137 -9.721 7.164 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.002 -10.529 4.952 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.057 -8.776 6.685 1.00 0.00 C ATOM 0 H ILE A 128 -4.663 -11.953 8.433 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.132 -11.588 7.251 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.352 -11.354 6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.079 -9.177 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.889 -10.064 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.400 -9.768 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.094 -11.399 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -6.993 -10.127 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.974 -7.938 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.105 -9.305 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.313 -8.404 5.693 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.291 -13.807 5.598 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.363 -14.946 4.690 1.00 0.00 C ATOM 2023 C LEU A 129 -6.563 -15.829 5.017 1.00 0.00 C ATOM 2024 O LEU A 129 -7.282 -16.273 4.122 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.074 -15.768 4.768 1.00 0.00 C ATOM 2026 CG LEU A 129 -2.838 -15.139 4.125 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.572 -15.818 4.625 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -2.925 -15.221 2.608 1.00 0.00 C ATOM 0 H LEU A 129 -4.344 -13.539 5.865 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.483 -14.564 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -3.854 -15.963 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.253 -16.734 4.295 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.799 -14.088 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.703 -15.357 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.503 -15.707 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.602 -16.877 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.037 -14.768 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.989 -16.266 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.812 -14.688 2.265 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.774 -16.079 6.305 1.00 0.00 N ATOM 2041 CA ALA A 130 -7.889 -16.905 6.751 1.00 0.00 C ATOM 2042 C ALA A 130 -9.209 -16.147 6.648 1.00 0.00 C ATOM 2043 O ALA A 130 -10.115 -16.556 5.922 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.659 -17.376 8.179 1.00 0.00 C ATOM 0 H ALA A 130 -6.187 -15.721 7.058 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.948 -17.776 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.500 -17.992 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.741 -17.962 8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.571 -16.512 8.837 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.310 -15.042 7.379 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.520 -14.228 7.371 1.00 0.00 C ATOM 2052 C PHE A 131 -11.111 -14.146 5.967 1.00 0.00 C ATOM 2053 O PHE A 131 -12.312 -14.338 5.774 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.217 -12.822 7.893 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.379 -11.877 7.777 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.566 -12.132 8.445 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.285 -10.735 6.998 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.636 -11.264 8.341 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.352 -9.863 6.890 1.00 0.00 C ATOM 2060 CZ PHE A 131 -13.530 -10.129 7.561 1.00 0.00 C ATOM 0 H PHE A 131 -8.569 -14.690 7.984 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.251 -14.701 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -9.916 -12.888 8.938 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.370 -12.413 7.342 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -12.656 -13.019 9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.367 -10.524 6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -14.555 -11.473 8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.265 -8.975 6.282 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.366 -9.451 7.476 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.259 -13.859 4.989 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.695 -13.751 3.601 1.00 0.00 C ATOM 2072 C LEU A 132 -11.537 -14.957 3.199 1.00 0.00 C ATOM 2073 O LEU A 132 -12.608 -14.811 2.609 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.485 -13.627 2.673 1.00 0.00 C ATOM 2075 CG LEU A 132 -8.584 -12.413 2.903 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.286 -12.556 2.124 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.306 -11.132 2.510 1.00 0.00 C ATOM 0 H LEU A 132 -9.262 -13.697 5.131 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.309 -12.855 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -8.880 -14.528 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -9.843 -13.599 1.644 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.342 -12.360 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -6.658 -11.683 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -6.761 -13.453 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.507 -12.635 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.650 -10.278 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -9.578 -11.176 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.208 -11.023 3.113 1.00 0.00 H new ATOM 2089 N SER A 133 -11.047 -16.149 3.524 1.00 0.00 N ATOM 2090 CA SER A 133 -11.754 -17.382 3.195 1.00 0.00 C ATOM 2091 C SER A 133 -13.192 -17.335 3.701 1.00 0.00 C ATOM 2092 O SER A 133 -14.104 -17.865 3.065 1.00 0.00 O ATOM 2093 CB SER A 133 -11.028 -18.587 3.798 1.00 0.00 C ATOM 2094 OG SER A 133 -11.240 -19.751 3.019 1.00 0.00 O ATOM 0 H SER A 133 -10.164 -16.287 4.015 1.00 0.00 H new ATOM 0 HA SER A 133 -11.772 -17.483 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.960 -18.378 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 133 -11.381 -18.757 4.815 1.00 0.00 H new ATOM 0 HG SER A 133 -10.765 -20.507 3.424 1.00 0.00 H new ATOM 2100 N LEU A 134 -13.388 -16.697 4.850 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.715 -16.579 5.443 1.00 0.00 C ATOM 2102 C LEU A 134 -15.593 -15.633 4.630 1.00 0.00 C ATOM 2103 O LEU A 134 -16.767 -15.915 4.388 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.609 -16.081 6.885 1.00 0.00 C ATOM 2105 CG LEU A 134 -13.629 -16.834 7.785 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.672 -16.283 9.201 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -13.938 -18.324 7.781 1.00 0.00 C ATOM 0 H LEU A 134 -12.644 -16.254 5.389 1.00 0.00 H new ATOM 0 HA LEU A 134 -15.176 -17.567 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.319 -15.030 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.599 -16.130 7.339 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.622 -16.691 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -12.968 -16.832 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -13.401 -15.227 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.679 -16.394 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -13.231 -18.844 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -14.951 -18.486 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -13.854 -18.710 6.765 1.00 0.00 H new