USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1069 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: B 7 THR OG1 : rot 113:sc= -0.109 USER MOD Set 1.2: B 9 THR OG1 : rot 180:sc= 0.852 USER MOD Set 2.1: B 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0774) USER MOD Set 2.2: B 12 THR OG1 : rot -160:sc= -0.846 USER MOD Set 3.1: A 13 TYR OH : rot -83:sc= 1.28 USER MOD Set 3.2: A 59 GLN : amide:sc= -1.08! K(o=2!,f=-3.3) USER MOD Set 3.3: B 68 HIS : no HE2:sc= 1.83 K(o=2,f=-17!) USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= -0.0921 (180deg=-0.527) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.124 F(o=-0.83,f=-0.12) USER MOD Single : A 16 MET CE :methyl -162:sc= -0.195 (180deg=-0.736) USER MOD Single : A 19 SER OG : rot 77:sc= 0.173 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.0807 (180deg=-0.467) USER MOD Single : A 27 SER OG : rot 111:sc= 0.957 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc=-0.00713 (180deg=-0.14) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.13) USER MOD Single : A 39 SER OG : rot -88:sc= 1.2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -144:sc= -0.166 (180deg=-1.02) USER MOD Single : A 45 CYS SG : rot 160:sc= -0.0677 USER MOD Single : A 46 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 50 SER OG : rot 27:sc= 1.12 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 27:sc= 0.203 USER MOD Single : B 1 MET CE :methyl -159:sc= -0.915 (180deg=-2.08!) USER MOD Single : B 1 MET N :NH3+ 178:sc= 2.05 (180deg=1.9) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 171:sc=-0.00589 (180deg=-0.116) USER MOD Single : B 14 THR OG1 : rot -71:sc= 0.0036 USER MOD Single : B 19 SER OG : rot -58:sc= 1.42 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.518 USER MOD Single : B 25 ASN : amide:sc= 0.954 K(o=0.95,f=-1.5!) USER MOD Single : B 27 LYS NZ :NH3+ 172:sc= 2.46 (180deg=2.28) USER MOD Single : B 28 SER OG : rot 69:sc= 1.18 USER MOD Single : B 29 LYS NZ :NH3+ 176:sc= 1.02 (180deg=0.836) USER MOD Single : B 31 GLN : amide:sc= -1.61! C(o=-1.6!,f=-4.8!) USER MOD Single : B 33 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.831) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0618 F(o=-1.3,f=-0.062) USER MOD Single : B 41 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.7) USER MOD Single : B 48 LYS NZ :NH3+ -172:sc=-0.00679 (180deg=-0.102) USER MOD Single : B 49 GLN :FLIP amide:sc= -0.579 F(o=-2.6!,f=-0.58) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot 180:sc= 0.0699 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.72) USER MOD Single : B 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00722) USER MOD Single : B 65 SER OG : rot -119:sc= 0 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 7 -18.458 4.378 0.047 1.00 0.00 N ATOM 97 CA LYS A 7 -17.873 4.483 -1.278 1.00 0.00 C ATOM 98 C LYS A 7 -17.374 3.136 -1.772 1.00 0.00 C ATOM 99 O LYS A 7 -16.864 2.322 -1.002 1.00 0.00 O ATOM 100 CB LYS A 7 -16.748 5.517 -1.273 1.00 0.00 C ATOM 101 CG LYS A 7 -17.204 6.872 -0.761 1.00 0.00 C ATOM 102 CD LYS A 7 -16.158 7.950 -0.972 1.00 0.00 C ATOM 103 CE LYS A 7 -16.646 9.285 -0.431 1.00 0.00 C ATOM 104 NZ LYS A 7 -17.987 9.645 -0.970 1.00 0.00 N ATOM 0 HA LYS A 7 -18.648 4.814 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.929 5.155 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.356 5.628 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -18.125 7.158 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.436 6.797 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.231 7.667 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.933 8.043 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.692 9.241 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.930 10.065 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -18.067 10.680 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.106 9.224 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -18.726 9.283 -0.334 1.00 0.00 H new ATOM 118 N ARG A 8 -17.545 2.908 -3.063 1.00 0.00 N ATOM 119 CA ARG A 8 -17.151 1.659 -3.685 1.00 0.00 C ATOM 120 C ARG A 8 -15.784 1.813 -4.329 1.00 0.00 C ATOM 121 O ARG A 8 -15.503 2.828 -4.969 1.00 0.00 O ATOM 122 CB ARG A 8 -18.185 1.263 -4.737 1.00 0.00 C ATOM 123 CG ARG A 8 -19.612 1.301 -4.219 1.00 0.00 C ATOM 124 CD ARG A 8 -20.617 1.175 -5.348 1.00 0.00 C ATOM 125 NE ARG A 8 -20.522 2.284 -6.298 1.00 0.00 N ATOM 126 CZ ARG A 8 -21.402 2.498 -7.274 1.00 0.00 C ATOM 127 NH1 ARG A 8 -22.502 1.758 -7.356 1.00 0.00 N ATOM 128 NH2 ARG A 8 -21.212 3.474 -8.148 1.00 0.00 N ATOM 0 H ARG A 8 -17.960 3.582 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.097 0.878 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.098 1.933 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.962 0.258 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.762 0.492 -3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.781 2.235 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.455 0.234 -5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.624 1.139 -4.933 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.737 2.929 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.675 1.023 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -23.174 1.925 -8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.386 4.069 -8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.891 3.631 -8.893 1.00 0.00 H new ATOM 142 N GLY A 9 -14.931 0.820 -4.156 1.00 0.00 N ATOM 143 CA GLY A 9 -13.605 0.887 -4.724 1.00 0.00 C ATOM 144 C GLY A 9 -13.163 -0.428 -5.317 1.00 0.00 C ATOM 145 O GLY A 9 -13.506 -1.492 -4.809 1.00 0.00 O ATOM 0 H GLY A 9 -15.133 -0.032 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.583 1.656 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.898 1.190 -3.952 1.00 0.00 H new ATOM 149 N ILE A 10 -12.429 -0.358 -6.412 1.00 0.00 N ATOM 150 CA ILE A 10 -11.828 -1.538 -7.004 1.00 0.00 C ATOM 151 C ILE A 10 -10.322 -1.490 -6.763 1.00 0.00 C ATOM 152 O ILE A 10 -9.623 -0.642 -7.316 1.00 0.00 O ATOM 153 CB ILE A 10 -12.125 -1.651 -8.529 1.00 0.00 C ATOM 154 CG1 ILE A 10 -13.565 -2.128 -8.798 1.00 0.00 C ATOM 155 CG2 ILE A 10 -11.141 -2.602 -9.203 1.00 0.00 C ATOM 156 CD1 ILE A 10 -14.660 -1.212 -8.293 1.00 0.00 C ATOM 0 H ILE A 10 -12.234 0.509 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.264 -2.419 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.010 -0.652 -8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.691 -2.258 -9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.696 -3.109 -8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.367 -2.665 -10.267 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.125 -2.229 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.226 -3.592 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.633 -1.641 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.571 -1.099 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.566 -0.236 -8.769 1.00 0.00 H new ATOM 168 N VAL A 11 -9.832 -2.375 -5.911 1.00 0.00 N ATOM 169 CA VAL A 11 -8.426 -2.362 -5.532 1.00 0.00 C ATOM 170 C VAL A 11 -7.530 -2.735 -6.716 1.00 0.00 C ATOM 171 O VAL A 11 -7.823 -3.667 -7.466 1.00 0.00 O ATOM 172 CB VAL A 11 -8.158 -3.288 -4.324 1.00 0.00 C ATOM 173 CG1 VAL A 11 -8.742 -4.672 -4.547 1.00 0.00 C ATOM 174 CG2 VAL A 11 -6.671 -3.369 -4.027 1.00 0.00 C ATOM 0 H VAL A 11 -10.384 -3.110 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.179 -1.344 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.657 -2.855 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.536 -5.298 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.820 -4.593 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.290 -5.119 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.506 -4.026 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.147 -3.766 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.291 -2.373 -3.798 1.00 0.00 H new ATOM 184 N GLN A 12 -6.445 -1.983 -6.880 1.00 0.00 N ATOM 185 CA GLN A 12 -5.562 -2.140 -8.030 1.00 0.00 C ATOM 186 C GLN A 12 -4.310 -2.937 -7.685 1.00 0.00 C ATOM 187 O GLN A 12 -3.576 -3.364 -8.580 1.00 0.00 O ATOM 188 CB GLN A 12 -5.156 -0.769 -8.565 1.00 0.00 C ATOM 189 CG GLN A 12 -6.305 0.016 -9.173 1.00 0.00 C ATOM 190 CD GLN A 12 -6.920 -0.686 -10.367 1.00 0.00 C ATOM 191 OE1 GLN A 12 -7.940 -1.491 -10.127 1.00 0.00 O flip ATOM 192 NE2 GLN A 12 -6.482 -0.506 -11.500 1.00 0.00 N flip ATOM 0 H GLN A 12 -6.156 -1.255 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.114 -2.692 -8.791 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.720 -0.187 -7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.378 -0.899 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.072 0.177 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.948 0.999 -9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.693 0.123 -11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.907 -0.985 -12.293 1.00 0.00 H new ATOM 201 N TYR A 13 -4.062 -3.138 -6.403 1.00 0.00 N ATOM 202 CA TYR A 13 -2.859 -3.835 -5.968 1.00 0.00 C ATOM 203 C TYR A 13 -3.203 -5.064 -5.147 1.00 0.00 C ATOM 204 O TYR A 13 -4.181 -5.072 -4.405 1.00 0.00 O ATOM 205 CB TYR A 13 -1.962 -2.905 -5.151 1.00 0.00 C ATOM 206 CG TYR A 13 -1.296 -1.825 -5.967 1.00 0.00 C ATOM 207 CD1 TYR A 13 -0.090 -2.070 -6.614 1.00 0.00 C ATOM 208 CD2 TYR A 13 -1.859 -0.560 -6.084 1.00 0.00 C ATOM 209 CE1 TYR A 13 0.533 -1.089 -7.355 1.00 0.00 C ATOM 210 CE2 TYR A 13 -1.239 0.429 -6.823 1.00 0.00 C ATOM 211 CZ TYR A 13 -0.045 0.158 -7.454 1.00 0.00 C ATOM 212 OH TYR A 13 0.584 1.145 -8.180 1.00 0.00 O ATOM 0 H TYR A 13 -4.673 -2.831 -5.646 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.323 -4.154 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.558 -2.439 -4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.193 -3.499 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.366 -3.046 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.795 -0.347 -5.590 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.468 -1.296 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.687 1.408 -6.905 1.00 0.00 H new ATOM 0 HH TYR A 13 1.261 1.581 -7.622 1.00 0.00 H new ATOM 222 N ASP A 14 -2.396 -6.100 -5.287 1.00 0.00 N ATOM 223 CA ASP A 14 -2.565 -7.305 -4.494 1.00 0.00 C ATOM 224 C ASP A 14 -1.952 -7.103 -3.119 1.00 0.00 C ATOM 225 O ASP A 14 -0.747 -6.883 -3.000 1.00 0.00 O ATOM 226 CB ASP A 14 -1.912 -8.509 -5.179 1.00 0.00 C ATOM 227 CG ASP A 14 -2.587 -8.883 -6.483 1.00 0.00 C ATOM 228 OD1 ASP A 14 -3.620 -9.583 -6.446 1.00 0.00 O ATOM 229 OD2 ASP A 14 -2.073 -8.501 -7.554 1.00 0.00 O ATOM 0 H ASP A 14 -1.616 -6.132 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.632 -7.504 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.862 -8.287 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.939 -9.364 -4.503 1.00 0.00 H new ATOM 234 N PHE A 15 -2.778 -7.158 -2.086 1.00 0.00 N ATOM 235 CA PHE A 15 -2.302 -6.958 -0.728 1.00 0.00 C ATOM 236 C PHE A 15 -2.399 -8.255 0.063 1.00 0.00 C ATOM 237 O PHE A 15 -3.479 -8.830 0.203 1.00 0.00 O ATOM 238 CB PHE A 15 -3.093 -5.845 -0.035 1.00 0.00 C ATOM 239 CG PHE A 15 -2.524 -5.448 1.295 1.00 0.00 C ATOM 240 CD1 PHE A 15 -1.245 -4.922 1.384 1.00 0.00 C ATOM 241 CD2 PHE A 15 -3.266 -5.596 2.452 1.00 0.00 C ATOM 242 CE1 PHE A 15 -0.718 -4.556 2.605 1.00 0.00 C ATOM 243 CE2 PHE A 15 -2.745 -5.231 3.676 1.00 0.00 C ATOM 244 CZ PHE A 15 -1.470 -4.711 3.752 1.00 0.00 C ATOM 0 H PHE A 15 -3.779 -7.339 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.256 -6.655 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.121 -4.971 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.123 -6.173 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.655 -4.797 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.265 -6.002 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.281 -4.149 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.334 -5.352 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.060 -4.425 4.709 1.00 0.00 H new ATOM 254 N MET A 16 -1.265 -8.713 0.568 1.00 0.00 N ATOM 255 CA MET A 16 -1.199 -9.973 1.289 1.00 0.00 C ATOM 256 C MET A 16 -1.143 -9.724 2.787 1.00 0.00 C ATOM 257 O MET A 16 -0.090 -9.396 3.330 1.00 0.00 O ATOM 258 CB MET A 16 0.029 -10.770 0.844 1.00 0.00 C ATOM 259 CG MET A 16 0.154 -12.134 1.507 1.00 0.00 C ATOM 260 SD MET A 16 1.675 -12.987 1.045 1.00 0.00 S ATOM 261 CE MET A 16 1.503 -13.047 -0.739 1.00 0.00 C ATOM 0 H MET A 16 -0.372 -8.227 0.491 1.00 0.00 H new ATOM 0 HA MET A 16 -2.096 -10.549 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.010 -10.905 -0.237 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.925 -10.188 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.123 -12.013 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.702 -12.749 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.176 -13.803 -1.144 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.475 -13.301 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.754 -12.074 -1.162 1.00 0.00 H new ATOM 271 N ALA A 17 -2.282 -9.875 3.447 1.00 0.00 N ATOM 272 CA ALA A 17 -2.381 -9.627 4.878 1.00 0.00 C ATOM 273 C ALA A 17 -1.534 -10.607 5.676 1.00 0.00 C ATOM 274 O ALA A 17 -1.665 -11.826 5.522 1.00 0.00 O ATOM 275 CB ALA A 17 -3.829 -9.717 5.324 1.00 0.00 C ATOM 0 H ALA A 17 -3.156 -10.170 3.011 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.002 -8.623 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.892 -9.530 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.421 -8.973 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.216 -10.713 5.106 1.00 0.00 H new ATOM 281 N GLU A 18 -0.664 -10.073 6.520 1.00 0.00 N ATOM 282 CA GLU A 18 0.111 -10.893 7.438 1.00 0.00 C ATOM 283 C GLU A 18 -0.507 -10.801 8.827 1.00 0.00 C ATOM 284 O GLU A 18 -0.441 -11.740 9.624 1.00 0.00 O ATOM 285 CB GLU A 18 1.578 -10.449 7.455 1.00 0.00 C ATOM 286 CG GLU A 18 2.445 -11.255 8.409 1.00 0.00 C ATOM 287 CD GLU A 18 3.924 -11.110 8.123 1.00 0.00 C ATOM 288 OE1 GLU A 18 4.437 -11.870 7.274 1.00 0.00 O ATOM 289 OE2 GLU A 18 4.583 -10.260 8.757 1.00 0.00 O ATOM 0 H GLU A 18 -0.477 -9.073 6.588 1.00 0.00 H new ATOM 0 HA GLU A 18 0.090 -11.931 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.986 -10.532 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.627 -9.396 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.245 -10.936 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.168 -12.307 8.343 1.00 0.00 H new ATOM 296 N SER A 19 -1.121 -9.663 9.097 1.00 0.00 N ATOM 297 CA SER A 19 -1.869 -9.466 10.319 1.00 0.00 C ATOM 298 C SER A 19 -3.342 -9.739 10.048 1.00 0.00 C ATOM 299 O SER A 19 -3.820 -9.501 8.939 1.00 0.00 O ATOM 300 CB SER A 19 -1.685 -8.029 10.809 1.00 0.00 C ATOM 301 OG SER A 19 -0.326 -7.636 10.707 1.00 0.00 O ATOM 0 H SER A 19 -1.114 -8.854 8.476 1.00 0.00 H new ATOM 0 HA SER A 19 -1.508 -10.149 11.088 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.309 -7.356 10.221 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.016 -7.947 11.844 1.00 0.00 H new ATOM 0 HG SER A 19 -0.114 -7.432 9.772 1.00 0.00 H new ATOM 307 N GLN A 20 -4.064 -10.234 11.043 1.00 0.00 N ATOM 308 CA GLN A 20 -5.486 -10.509 10.868 1.00 0.00 C ATOM 309 C GLN A 20 -6.276 -9.203 10.831 1.00 0.00 C ATOM 310 O GLN A 20 -7.450 -9.181 10.466 1.00 0.00 O ATOM 311 CB GLN A 20 -6.008 -11.434 11.966 1.00 0.00 C ATOM 312 CG GLN A 20 -5.348 -12.804 11.955 1.00 0.00 C ATOM 313 CD GLN A 20 -6.052 -13.799 12.853 1.00 0.00 C ATOM 314 OE1 GLN A 20 -6.648 -13.432 13.863 1.00 0.00 O ATOM 315 NE2 GLN A 20 -5.987 -15.067 12.490 1.00 0.00 N ATOM 0 H GLN A 20 -3.696 -10.452 11.969 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.621 -11.022 9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.843 -10.966 12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.085 -11.555 11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.334 -13.188 10.935 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.310 -12.705 12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.482 -15.330 11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.442 -15.783 13.056 1.00 0.00 H new ATOM 324 N ASP A 21 -5.609 -8.119 11.217 1.00 0.00 N ATOM 325 CA ASP A 21 -6.160 -6.773 11.091 1.00 0.00 C ATOM 326 C ASP A 21 -6.269 -6.398 9.622 1.00 0.00 C ATOM 327 O ASP A 21 -7.180 -5.683 9.208 1.00 0.00 O ATOM 328 CB ASP A 21 -5.250 -5.752 11.783 1.00 0.00 C ATOM 329 CG ASP A 21 -5.004 -6.058 13.243 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.246 -7.007 13.537 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.543 -5.333 14.105 1.00 0.00 O ATOM 0 H ASP A 21 -4.674 -8.148 11.625 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.144 -6.763 11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.294 -5.716 11.261 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.697 -4.762 11.697 1.00 0.00 H new ATOM 336 N GLU A 22 -5.323 -6.900 8.844 1.00 0.00 N ATOM 337 CA GLU A 22 -5.203 -6.552 7.440 1.00 0.00 C ATOM 338 C GLU A 22 -6.099 -7.453 6.592 1.00 0.00 C ATOM 339 O GLU A 22 -6.697 -8.403 7.104 1.00 0.00 O ATOM 340 CB GLU A 22 -3.738 -6.686 7.017 1.00 0.00 C ATOM 341 CG GLU A 22 -2.788 -5.882 7.895 1.00 0.00 C ATOM 342 CD GLU A 22 -1.322 -6.158 7.608 1.00 0.00 C ATOM 343 OE1 GLU A 22 -0.893 -7.327 7.746 1.00 0.00 O ATOM 344 OE2 GLU A 22 -0.587 -5.202 7.282 1.00 0.00 O ATOM 0 H GLU A 22 -4.617 -7.560 9.170 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.526 -5.522 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.451 -7.737 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.633 -6.358 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.985 -4.819 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.994 -6.107 8.941 1.00 0.00 H new ATOM 351 N LEU A 23 -6.188 -7.163 5.301 1.00 0.00 N ATOM 352 CA LEU A 23 -7.078 -7.911 4.420 1.00 0.00 C ATOM 353 C LEU A 23 -6.346 -8.385 3.169 1.00 0.00 C ATOM 354 O LEU A 23 -5.765 -7.585 2.438 1.00 0.00 O ATOM 355 CB LEU A 23 -8.271 -7.038 4.030 1.00 0.00 C ATOM 356 CG LEU A 23 -9.405 -7.755 3.292 1.00 0.00 C ATOM 357 CD1 LEU A 23 -9.894 -8.941 4.101 1.00 0.00 C ATOM 358 CD2 LEU A 23 -10.543 -6.786 3.034 1.00 0.00 C ATOM 0 H LEU A 23 -5.660 -6.421 4.842 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.431 -8.791 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.679 -6.587 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.911 -6.223 3.402 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.030 -8.122 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.700 -9.441 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.072 -9.640 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.262 -8.596 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.347 -7.301 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.917 -6.403 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.184 -5.957 2.424 1.00 0.00 H new ATOM 370 N THR A 24 -6.375 -9.690 2.937 1.00 0.00 N ATOM 371 CA THR A 24 -5.769 -10.274 1.749 1.00 0.00 C ATOM 372 C THR A 24 -6.684 -10.090 0.539 1.00 0.00 C ATOM 373 O THR A 24 -7.706 -10.767 0.407 1.00 0.00 O ATOM 374 CB THR A 24 -5.476 -11.772 1.957 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.809 -11.963 3.212 1.00 0.00 O ATOM 376 CG2 THR A 24 -4.607 -12.317 0.833 1.00 0.00 C ATOM 0 H THR A 24 -6.814 -10.368 3.560 1.00 0.00 H new ATOM 0 HA THR A 24 -4.826 -9.759 1.567 1.00 0.00 H new ATOM 0 HB THR A 24 -6.424 -12.311 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.625 -12.917 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.414 -13.376 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.122 -12.190 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.661 -11.776 0.809 1.00 0.00 H new ATOM 384 N ILE A 25 -6.311 -9.169 -0.335 1.00 0.00 N ATOM 385 CA ILE A 25 -7.140 -8.816 -1.478 1.00 0.00 C ATOM 386 C ILE A 25 -6.384 -8.998 -2.785 1.00 0.00 C ATOM 387 O ILE A 25 -5.148 -8.969 -2.809 1.00 0.00 O ATOM 388 CB ILE A 25 -7.634 -7.358 -1.374 1.00 0.00 C ATOM 389 CG1 ILE A 25 -6.447 -6.402 -1.233 1.00 0.00 C ATOM 390 CG2 ILE A 25 -8.582 -7.206 -0.197 1.00 0.00 C ATOM 391 CD1 ILE A 25 -6.844 -4.957 -1.033 1.00 0.00 C ATOM 0 H ILE A 25 -5.435 -8.650 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.999 -9.487 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.173 -7.106 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.835 -6.720 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.825 -6.477 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.923 -6.172 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.440 -7.864 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.064 -7.473 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.948 -4.343 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.430 -4.619 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.441 -4.866 -0.125 1.00 0.00 H new ATOM 403 N LYS A 26 -7.124 -9.205 -3.863 1.00 0.00 N ATOM 404 CA LYS A 26 -6.530 -9.350 -5.182 1.00 0.00 C ATOM 405 C LYS A 26 -6.778 -8.101 -6.009 1.00 0.00 C ATOM 406 O LYS A 26 -7.762 -7.393 -5.796 1.00 0.00 O ATOM 407 CB LYS A 26 -7.126 -10.551 -5.918 1.00 0.00 C ATOM 408 CG LYS A 26 -7.114 -11.839 -5.120 1.00 0.00 C ATOM 409 CD LYS A 26 -7.688 -12.986 -5.930 1.00 0.00 C ATOM 410 CE LYS A 26 -7.963 -14.199 -5.062 1.00 0.00 C ATOM 411 NZ LYS A 26 -9.012 -13.920 -4.045 1.00 0.00 N ATOM 0 H LYS A 26 -8.141 -9.277 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.459 -9.503 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.154 -10.319 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.573 -10.706 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.093 -12.076 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.693 -11.710 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.612 -12.666 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.992 -13.256 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.277 -15.032 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.044 -14.505 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.426 -14.816 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.588 -13.420 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.756 -13.328 -4.467 1.00 0.00 H new ATOM 425 N SER A 27 -5.893 -7.835 -6.952 1.00 0.00 N ATOM 426 CA SER A 27 -6.101 -6.749 -7.890 1.00 0.00 C ATOM 427 C SER A 27 -7.326 -7.058 -8.747 1.00 0.00 C ATOM 428 O SER A 27 -7.336 -8.034 -9.505 1.00 0.00 O ATOM 429 CB SER A 27 -4.862 -6.559 -8.764 1.00 0.00 C ATOM 430 OG SER A 27 -4.993 -5.430 -9.614 1.00 0.00 O ATOM 0 H SER A 27 -5.026 -8.355 -7.088 1.00 0.00 H new ATOM 0 HA SER A 27 -6.271 -5.821 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.983 -6.439 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.700 -7.453 -9.367 1.00 0.00 H new ATOM 0 HG SER A 27 -4.373 -4.728 -9.324 1.00 0.00 H new ATOM 436 N GLY A 28 -8.361 -6.248 -8.607 1.00 0.00 N ATOM 437 CA GLY A 28 -9.593 -6.494 -9.325 1.00 0.00 C ATOM 438 C GLY A 28 -10.721 -6.931 -8.407 1.00 0.00 C ATOM 439 O GLY A 28 -11.785 -7.341 -8.874 1.00 0.00 O ATOM 0 H GLY A 28 -8.371 -5.423 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.889 -5.588 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.424 -7.263 -10.079 1.00 0.00 H new ATOM 443 N ASP A 29 -10.486 -6.881 -7.102 1.00 0.00 N ATOM 444 CA ASP A 29 -11.543 -7.153 -6.132 1.00 0.00 C ATOM 445 C ASP A 29 -12.326 -5.880 -5.844 1.00 0.00 C ATOM 446 O ASP A 29 -11.742 -4.823 -5.595 1.00 0.00 O ATOM 447 CB ASP A 29 -10.984 -7.723 -4.818 1.00 0.00 C ATOM 448 CG ASP A 29 -10.664 -9.207 -4.892 1.00 0.00 C ATOM 449 OD1 ASP A 29 -11.266 -9.911 -5.731 1.00 0.00 O ATOM 450 OD2 ASP A 29 -9.817 -9.681 -4.104 1.00 0.00 O ATOM 0 H ASP A 29 -9.580 -6.656 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.202 -7.903 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.080 -7.177 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.707 -7.554 -4.020 1.00 0.00 H new ATOM 455 N LYS A 30 -13.644 -5.976 -5.908 1.00 0.00 N ATOM 456 CA LYS A 30 -14.502 -4.844 -5.593 1.00 0.00 C ATOM 457 C LYS A 30 -14.763 -4.790 -4.096 1.00 0.00 C ATOM 458 O LYS A 30 -15.188 -5.778 -3.493 1.00 0.00 O ATOM 459 CB LYS A 30 -15.813 -4.935 -6.357 1.00 0.00 C ATOM 460 CG LYS A 30 -15.625 -4.890 -7.861 1.00 0.00 C ATOM 461 CD LYS A 30 -16.923 -4.565 -8.562 1.00 0.00 C ATOM 462 CE LYS A 30 -17.980 -5.617 -8.281 1.00 0.00 C ATOM 463 NZ LYS A 30 -19.268 -5.313 -8.955 1.00 0.00 N ATOM 0 H LYS A 30 -14.143 -6.825 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.995 -3.928 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.321 -5.861 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.463 -4.114 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.874 -4.142 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.249 -5.851 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.282 -3.589 -8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.751 -4.497 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.619 -6.590 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.143 -5.688 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.959 -6.058 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -19.628 -4.397 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.120 -5.271 -9.984 1.00 0.00 H new ATOM 477 N VAL A 31 -14.503 -3.641 -3.494 1.00 0.00 N ATOM 478 CA VAL A 31 -14.604 -3.504 -2.052 1.00 0.00 C ATOM 479 C VAL A 31 -15.478 -2.313 -1.656 1.00 0.00 C ATOM 480 O VAL A 31 -15.532 -1.302 -2.360 1.00 0.00 O ATOM 481 CB VAL A 31 -13.202 -3.348 -1.411 1.00 0.00 C ATOM 482 CG1 VAL A 31 -12.338 -4.563 -1.702 1.00 0.00 C ATOM 483 CG2 VAL A 31 -12.505 -2.089 -1.903 1.00 0.00 C ATOM 0 H VAL A 31 -14.221 -2.791 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 31 -15.072 -4.415 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.344 -3.264 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.358 -4.431 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.814 -5.454 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.221 -4.676 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.524 -2.009 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.387 -2.138 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.104 -1.216 -1.642 1.00 0.00 H new ATOM 493 N TYR A 32 -16.193 -2.465 -0.550 1.00 0.00 N ATOM 494 CA TYR A 32 -16.907 -1.357 0.067 1.00 0.00 C ATOM 495 C TYR A 32 -16.022 -0.707 1.118 1.00 0.00 C ATOM 496 O TYR A 32 -15.571 -1.371 2.053 1.00 0.00 O ATOM 497 CB TYR A 32 -18.208 -1.826 0.731 1.00 0.00 C ATOM 498 CG TYR A 32 -19.351 -2.093 -0.225 1.00 0.00 C ATOM 499 CD1 TYR A 32 -19.850 -1.084 -1.040 1.00 0.00 C ATOM 500 CD2 TYR A 32 -19.947 -3.346 -0.293 1.00 0.00 C ATOM 501 CE1 TYR A 32 -20.904 -1.320 -1.902 1.00 0.00 C ATOM 502 CE2 TYR A 32 -21.005 -3.588 -1.151 1.00 0.00 C ATOM 503 CZ TYR A 32 -21.481 -2.570 -1.951 1.00 0.00 C ATOM 504 OH TYR A 32 -22.536 -2.803 -2.804 1.00 0.00 O ATOM 0 H TYR A 32 -16.294 -3.353 -0.059 1.00 0.00 H new ATOM 0 HA TYR A 32 -17.158 -0.642 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -18.004 -2.737 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -18.524 -1.071 1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -19.407 -0.100 -0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -19.578 -4.144 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -21.274 -0.527 -2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -21.456 -4.568 -1.194 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.827 -3.735 -2.718 1.00 0.00 H new ATOM 514 N ILE A 33 -15.766 0.577 0.960 1.00 0.00 N ATOM 515 CA ILE A 33 -14.935 1.309 1.901 1.00 0.00 C ATOM 516 C ILE A 33 -15.750 1.687 3.135 1.00 0.00 C ATOM 517 O ILE A 33 -16.685 2.477 3.047 1.00 0.00 O ATOM 518 CB ILE A 33 -14.351 2.584 1.253 1.00 0.00 C ATOM 519 CG1 ILE A 33 -13.643 2.233 -0.062 1.00 0.00 C ATOM 520 CG2 ILE A 33 -13.389 3.272 2.210 1.00 0.00 C ATOM 521 CD1 ILE A 33 -13.157 3.440 -0.838 1.00 0.00 C ATOM 0 H ILE A 33 -16.122 1.138 0.186 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.108 0.662 2.195 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.168 3.271 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -12.793 1.587 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.326 1.661 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.986 4.168 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.918 3.548 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.572 2.593 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -12.668 3.110 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.005 4.077 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.448 4.002 -0.230 1.00 0.00 H new ATOM 533 N LEU A 34 -15.406 1.099 4.276 1.00 0.00 N ATOM 534 CA LEU A 34 -16.116 1.360 5.522 1.00 0.00 C ATOM 535 C LEU A 34 -15.441 2.491 6.290 1.00 0.00 C ATOM 536 O LEU A 34 -15.926 3.621 6.307 1.00 0.00 O ATOM 537 CB LEU A 34 -16.155 0.097 6.389 1.00 0.00 C ATOM 538 CG LEU A 34 -16.748 -1.142 5.718 1.00 0.00 C ATOM 539 CD1 LEU A 34 -16.594 -2.352 6.625 1.00 0.00 C ATOM 540 CD2 LEU A 34 -18.213 -0.915 5.370 1.00 0.00 C ATOM 0 H LEU A 34 -14.636 0.436 4.363 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.137 1.655 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.139 -0.135 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.731 0.312 7.289 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.205 -1.330 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.020 -3.229 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.536 -2.525 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.115 -2.171 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.616 -1.808 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.775 -0.704 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.298 -0.070 4.687 1.00 0.00 H new ATOM 552 N ASP A 35 -14.320 2.183 6.929 1.00 0.00 N ATOM 553 CA ASP A 35 -13.559 3.193 7.645 1.00 0.00 C ATOM 554 C ASP A 35 -12.681 3.958 6.677 1.00 0.00 C ATOM 555 O ASP A 35 -11.646 3.458 6.234 1.00 0.00 O ATOM 556 CB ASP A 35 -12.710 2.563 8.751 1.00 0.00 C ATOM 557 CG ASP A 35 -13.538 2.108 9.940 1.00 0.00 C ATOM 558 OD1 ASP A 35 -14.694 1.683 9.744 1.00 0.00 O ATOM 559 OD2 ASP A 35 -13.043 2.184 11.080 1.00 0.00 O ATOM 0 H ASP A 35 -13.920 1.245 6.965 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.260 3.883 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.167 1.710 8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.965 3.285 9.087 1.00 0.00 H new ATOM 564 N ASP A 36 -13.140 5.153 6.338 1.00 0.00 N ATOM 565 CA ASP A 36 -12.469 6.035 5.392 1.00 0.00 C ATOM 566 C ASP A 36 -12.009 7.318 6.086 1.00 0.00 C ATOM 567 O ASP A 36 -10.829 7.660 6.072 1.00 0.00 O ATOM 568 CB ASP A 36 -13.404 6.362 4.208 1.00 0.00 C ATOM 569 CG ASP A 36 -14.862 6.607 4.606 1.00 0.00 C ATOM 570 OD1 ASP A 36 -15.134 6.927 5.787 1.00 0.00 O ATOM 571 OD2 ASP A 36 -15.751 6.475 3.740 1.00 0.00 O ATOM 0 H ASP A 36 -14.002 5.544 6.717 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.588 5.522 5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.026 7.246 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.368 5.540 3.494 1.00 0.00 H new ATOM 576 N LYS A 37 -12.955 8.010 6.708 1.00 0.00 N ATOM 577 CA LYS A 37 -12.686 9.260 7.415 1.00 0.00 C ATOM 578 C LYS A 37 -11.849 9.015 8.666 1.00 0.00 C ATOM 579 O LYS A 37 -11.076 9.871 9.096 1.00 0.00 O ATOM 580 CB LYS A 37 -14.007 9.914 7.814 1.00 0.00 C ATOM 581 CG LYS A 37 -14.951 10.151 6.650 1.00 0.00 C ATOM 582 CD LYS A 37 -16.322 10.585 7.134 1.00 0.00 C ATOM 583 CE LYS A 37 -17.285 10.767 5.975 1.00 0.00 C ATOM 584 NZ LYS A 37 -16.855 11.865 5.072 1.00 0.00 N ATOM 0 H LYS A 37 -13.933 7.722 6.738 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.127 9.916 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.505 9.284 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.797 10.867 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.536 10.915 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.043 9.238 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.718 9.841 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.235 11.520 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.355 9.837 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.282 10.982 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.627 12.097 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.616 12.705 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.020 11.563 4.531 1.00 0.00 H new ATOM 598 N LYS A 38 -12.010 7.835 9.244 1.00 0.00 N ATOM 599 CA LYS A 38 -11.378 7.510 10.512 1.00 0.00 C ATOM 600 C LYS A 38 -9.872 7.305 10.361 1.00 0.00 C ATOM 601 O LYS A 38 -9.119 7.466 11.320 1.00 0.00 O ATOM 602 CB LYS A 38 -12.032 6.263 11.104 1.00 0.00 C ATOM 603 CG LYS A 38 -13.499 6.469 11.454 1.00 0.00 C ATOM 604 CD LYS A 38 -14.168 5.167 11.849 1.00 0.00 C ATOM 605 CE LYS A 38 -13.513 4.546 13.068 1.00 0.00 C ATOM 606 NZ LYS A 38 -14.041 3.184 13.329 1.00 0.00 N ATOM 0 H LYS A 38 -12.577 7.083 8.852 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.521 8.353 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.946 5.442 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.489 5.966 12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.581 7.184 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.020 6.902 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.223 5.348 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.122 4.467 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.434 4.498 12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.686 5.179 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.515 2.753 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.049 3.244 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.929 2.599 12.476 1.00 0.00 H new ATOM 620 N SER A 39 -9.433 6.964 9.162 1.00 0.00 N ATOM 621 CA SER A 39 -8.018 6.756 8.911 1.00 0.00 C ATOM 622 C SER A 39 -7.690 7.089 7.463 1.00 0.00 C ATOM 623 O SER A 39 -8.168 6.439 6.549 1.00 0.00 O ATOM 624 CB SER A 39 -7.634 5.309 9.233 1.00 0.00 C ATOM 625 OG SER A 39 -6.423 5.249 9.974 1.00 0.00 O ATOM 0 H SER A 39 -10.034 6.826 8.349 1.00 0.00 H new ATOM 0 HA SER A 39 -7.441 7.418 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.435 4.836 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.524 4.745 8.307 1.00 0.00 H new ATOM 0 HG SER A 39 -5.663 5.212 9.356 1.00 0.00 H new ATOM 631 N LYS A 40 -6.886 8.122 7.269 1.00 0.00 N ATOM 632 CA LYS A 40 -6.499 8.566 5.933 1.00 0.00 C ATOM 633 C LYS A 40 -5.503 7.589 5.308 1.00 0.00 C ATOM 634 O LYS A 40 -5.353 7.519 4.088 1.00 0.00 O ATOM 635 CB LYS A 40 -5.875 9.961 6.032 1.00 0.00 C ATOM 636 CG LYS A 40 -5.398 10.537 4.710 1.00 0.00 C ATOM 637 CD LYS A 40 -4.612 11.815 4.937 1.00 0.00 C ATOM 638 CE LYS A 40 -4.071 12.380 3.638 1.00 0.00 C ATOM 639 NZ LYS A 40 -3.201 13.558 3.881 1.00 0.00 N ATOM 0 H LYS A 40 -6.484 8.675 8.026 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.383 8.602 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.607 10.642 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.031 9.919 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.775 9.807 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.253 10.739 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.252 12.555 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.786 11.617 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.506 11.611 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.900 12.665 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.847 13.921 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.748 14.301 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.397 13.279 4.479 1.00 0.00 H new ATOM 653 N ASP A 41 -4.836 6.838 6.164 1.00 0.00 N ATOM 654 CA ASP A 41 -3.785 5.918 5.752 1.00 0.00 C ATOM 655 C ASP A 41 -4.340 4.540 5.392 1.00 0.00 C ATOM 656 O ASP A 41 -4.125 4.035 4.284 1.00 0.00 O ATOM 657 CB ASP A 41 -2.750 5.792 6.879 1.00 0.00 C ATOM 658 CG ASP A 41 -3.373 5.913 8.261 1.00 0.00 C ATOM 659 OD1 ASP A 41 -4.208 5.063 8.629 1.00 0.00 O ATOM 660 OD2 ASP A 41 -3.044 6.881 8.977 1.00 0.00 O ATOM 0 H ASP A 41 -5.006 6.847 7.170 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.314 6.322 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.243 4.831 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.991 6.564 6.758 1.00 0.00 H new ATOM 665 N TRP A 42 -5.042 3.941 6.334 1.00 0.00 N ATOM 666 CA TRP A 42 -5.553 2.592 6.179 1.00 0.00 C ATOM 667 C TRP A 42 -7.073 2.587 6.224 1.00 0.00 C ATOM 668 O TRP A 42 -7.675 3.082 7.174 1.00 0.00 O ATOM 669 CB TRP A 42 -5.002 1.692 7.287 1.00 0.00 C ATOM 670 CG TRP A 42 -3.558 1.322 7.124 1.00 0.00 C ATOM 671 CD1 TRP A 42 -2.462 2.114 7.343 1.00 0.00 C ATOM 672 CD2 TRP A 42 -3.055 0.050 6.711 1.00 0.00 C ATOM 673 NE1 TRP A 42 -1.314 1.402 7.108 1.00 0.00 N ATOM 674 CE2 TRP A 42 -1.651 0.134 6.712 1.00 0.00 C ATOM 675 CE3 TRP A 42 -3.658 -1.154 6.343 1.00 0.00 C ATOM 676 CZ2 TRP A 42 -0.843 -0.941 6.357 1.00 0.00 C ATOM 677 CZ3 TRP A 42 -2.854 -2.220 5.991 1.00 0.00 C ATOM 678 CH2 TRP A 42 -1.460 -2.107 6.000 1.00 0.00 C ATOM 0 H TRP A 42 -5.274 4.375 7.228 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.230 2.211 5.210 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.129 2.196 8.245 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.596 0.779 7.326 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.497 3.147 7.655 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.364 1.758 7.211 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.734 -1.250 6.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.234 -0.857 6.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.309 -3.156 5.704 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.859 -2.959 5.719 1.00 0.00 H new ATOM 689 N TRP A 43 -7.684 2.022 5.200 1.00 0.00 N ATOM 690 CA TRP A 43 -9.133 1.955 5.123 1.00 0.00 C ATOM 691 C TRP A 43 -9.627 0.555 5.423 1.00 0.00 C ATOM 692 O TRP A 43 -8.964 -0.430 5.095 1.00 0.00 O ATOM 693 CB TRP A 43 -9.615 2.383 3.736 1.00 0.00 C ATOM 694 CG TRP A 43 -9.496 3.853 3.504 1.00 0.00 C ATOM 695 CD1 TRP A 43 -9.261 4.802 4.449 1.00 0.00 C ATOM 696 CD2 TRP A 43 -9.621 4.547 2.258 1.00 0.00 C ATOM 697 NE1 TRP A 43 -9.220 6.043 3.874 1.00 0.00 N ATOM 698 CE2 TRP A 43 -9.441 5.917 2.530 1.00 0.00 C ATOM 699 CE3 TRP A 43 -9.859 4.147 0.940 1.00 0.00 C ATOM 700 CZ2 TRP A 43 -9.497 6.886 1.536 1.00 0.00 C ATOM 701 CZ3 TRP A 43 -9.918 5.113 -0.046 1.00 0.00 C ATOM 702 CH2 TRP A 43 -9.736 6.468 0.257 1.00 0.00 C ATOM 0 H TRP A 43 -7.199 1.601 4.407 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.539 2.637 5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.038 1.853 2.978 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.656 2.084 3.611 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.126 4.605 5.502 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.052 6.920 4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.994 3.103 0.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.357 7.932 1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.108 4.818 -1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.786 7.198 -0.537 1.00 0.00 H new ATOM 713 N MET A 44 -10.792 0.462 6.047 1.00 0.00 N ATOM 714 CA MET A 44 -11.412 -0.838 6.256 1.00 0.00 C ATOM 715 C MET A 44 -12.327 -1.140 5.093 1.00 0.00 C ATOM 716 O MET A 44 -13.402 -0.560 4.977 1.00 0.00 O ATOM 717 CB MET A 44 -12.217 -0.914 7.553 1.00 0.00 C ATOM 718 CG MET A 44 -11.411 -0.657 8.808 1.00 0.00 C ATOM 719 SD MET A 44 -11.860 -1.770 10.156 1.00 0.00 S ATOM 720 CE MET A 44 -13.647 -1.646 10.126 1.00 0.00 C ATOM 0 H MET A 44 -11.319 1.255 6.412 1.00 0.00 H new ATOM 0 HA MET A 44 -10.608 -1.570 6.330 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.030 -0.190 7.504 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.673 -1.901 7.625 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.350 -0.771 8.585 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.560 0.374 9.127 1.00 0.00 H new ATOM 0 HE1 MET A 44 -14.032 -1.693 11.145 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.938 -0.699 9.671 1.00 0.00 H new ATOM 0 HE3 MET A 44 -14.059 -2.470 9.544 1.00 0.00 H new ATOM 730 N CYS A 45 -11.901 -2.024 4.223 1.00 0.00 N ATOM 731 CA CYS A 45 -12.698 -2.373 3.069 1.00 0.00 C ATOM 732 C CYS A 45 -13.376 -3.714 3.283 1.00 0.00 C ATOM 733 O CYS A 45 -12.802 -4.621 3.891 1.00 0.00 O ATOM 734 CB CYS A 45 -11.830 -2.399 1.811 1.00 0.00 C ATOM 735 SG CYS A 45 -11.117 -0.793 1.388 1.00 0.00 S ATOM 0 H CYS A 45 -11.009 -2.514 4.291 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.471 -1.616 2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.024 -3.119 1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.431 -2.752 0.973 1.00 0.00 H new ATOM 0 HG CYS A 45 -10.093 -0.965 0.606 1.00 0.00 H new ATOM 741 N GLN A 46 -14.610 -3.817 2.823 1.00 0.00 N ATOM 742 CA GLN A 46 -15.344 -5.065 2.884 1.00 0.00 C ATOM 743 C GLN A 46 -15.626 -5.560 1.472 1.00 0.00 C ATOM 744 O GLN A 46 -16.274 -4.876 0.683 1.00 0.00 O ATOM 745 CB GLN A 46 -16.649 -4.896 3.667 1.00 0.00 C ATOM 746 CG GLN A 46 -17.384 -6.207 3.894 1.00 0.00 C ATOM 747 CD GLN A 46 -18.670 -6.034 4.677 1.00 0.00 C ATOM 748 OE1 GLN A 46 -19.734 -5.792 4.106 1.00 0.00 O ATOM 749 NE2 GLN A 46 -18.588 -6.175 5.989 1.00 0.00 N ATOM 0 H GLN A 46 -15.126 -3.045 2.401 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.737 -5.804 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -16.430 -4.438 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.302 -4.209 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -17.610 -6.663 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.730 -6.897 4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -17.688 -6.375 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -19.425 -6.084 6.565 1.00 0.00 H new ATOM 758 N LEU A 47 -15.115 -6.742 1.163 1.00 0.00 N ATOM 759 CA LEU A 47 -15.217 -7.313 -0.177 1.00 0.00 C ATOM 760 C LEU A 47 -16.684 -7.491 -0.557 1.00 0.00 C ATOM 761 O LEU A 47 -17.426 -8.165 0.154 1.00 0.00 O ATOM 762 CB LEU A 47 -14.495 -8.664 -0.246 1.00 0.00 C ATOM 763 CG LEU A 47 -12.990 -8.658 0.084 1.00 0.00 C ATOM 764 CD1 LEU A 47 -12.224 -9.402 -0.978 1.00 0.00 C ATOM 765 CD2 LEU A 47 -12.427 -7.255 0.211 1.00 0.00 C ATOM 0 H LEU A 47 -14.619 -7.333 1.830 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.742 -6.629 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -14.992 -9.351 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.622 -9.068 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.878 -9.151 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.162 -9.392 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.575 -10.433 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.380 -8.921 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.364 -7.309 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.566 -6.721 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.947 -6.725 1.009 1.00 0.00 H new ATOM 777 N VAL A 48 -17.093 -6.899 -1.675 1.00 0.00 N ATOM 778 CA VAL A 48 -18.496 -6.928 -2.088 1.00 0.00 C ATOM 779 C VAL A 48 -18.985 -8.361 -2.286 1.00 0.00 C ATOM 780 O VAL A 48 -20.094 -8.719 -1.885 1.00 0.00 O ATOM 781 CB VAL A 48 -18.717 -6.135 -3.397 1.00 0.00 C ATOM 782 CG1 VAL A 48 -20.183 -6.162 -3.811 1.00 0.00 C ATOM 783 CG2 VAL A 48 -18.233 -4.700 -3.247 1.00 0.00 C ATOM 0 H VAL A 48 -16.476 -6.394 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.068 -6.460 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.133 -6.616 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.311 -5.597 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.497 -7.194 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -20.791 -5.715 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.398 -4.161 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.785 -4.212 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.169 -4.698 -3.010 1.00 0.00 H new ATOM 793 N ASP A 49 -18.142 -9.177 -2.892 1.00 0.00 N ATOM 794 CA ASP A 49 -18.498 -10.553 -3.216 1.00 0.00 C ATOM 795 C ASP A 49 -18.226 -11.507 -2.054 1.00 0.00 C ATOM 796 O ASP A 49 -19.006 -12.427 -1.803 1.00 0.00 O ATOM 797 CB ASP A 49 -17.722 -11.010 -4.455 1.00 0.00 C ATOM 798 CG ASP A 49 -16.223 -10.851 -4.287 1.00 0.00 C ATOM 799 OD1 ASP A 49 -15.707 -9.745 -4.556 1.00 0.00 O ATOM 800 OD2 ASP A 49 -15.557 -11.820 -3.876 1.00 0.00 O ATOM 0 H ASP A 49 -17.198 -8.911 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 49 -19.569 -10.577 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.953 -12.055 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.051 -10.434 -5.320 1.00 0.00 H new ATOM 805 N SER A 50 -17.133 -11.287 -1.340 1.00 0.00 N ATOM 806 CA SER A 50 -16.695 -12.235 -0.322 1.00 0.00 C ATOM 807 C SER A 50 -17.214 -11.879 1.073 1.00 0.00 C ATOM 808 O SER A 50 -17.563 -12.761 1.855 1.00 0.00 O ATOM 809 CB SER A 50 -15.169 -12.307 -0.304 1.00 0.00 C ATOM 810 OG SER A 50 -14.646 -12.642 -1.579 1.00 0.00 O ATOM 0 H SER A 50 -16.535 -10.467 -1.444 1.00 0.00 H new ATOM 0 HA SER A 50 -17.113 -13.207 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.763 -11.347 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.848 -13.048 0.428 1.00 0.00 H new ATOM 0 HG SER A 50 -15.270 -12.350 -2.276 1.00 0.00 H new ATOM 816 N GLY A 51 -17.268 -10.593 1.386 1.00 0.00 N ATOM 817 CA GLY A 51 -17.662 -10.176 2.718 1.00 0.00 C ATOM 818 C GLY A 51 -16.474 -10.006 3.648 1.00 0.00 C ATOM 819 O GLY A 51 -16.644 -9.763 4.844 1.00 0.00 O ATOM 0 H GLY A 51 -17.047 -9.832 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.207 -9.234 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.346 -10.913 3.139 1.00 0.00 H new ATOM 823 N LYS A 52 -15.268 -10.134 3.103 1.00 0.00 N ATOM 824 CA LYS A 52 -14.049 -9.955 3.887 1.00 0.00 C ATOM 825 C LYS A 52 -13.883 -8.485 4.240 1.00 0.00 C ATOM 826 O LYS A 52 -13.909 -7.636 3.357 1.00 0.00 O ATOM 827 CB LYS A 52 -12.812 -10.399 3.100 1.00 0.00 C ATOM 828 CG LYS A 52 -12.953 -11.720 2.366 1.00 0.00 C ATOM 829 CD LYS A 52 -11.710 -12.015 1.536 1.00 0.00 C ATOM 830 CE LYS A 52 -11.866 -13.288 0.719 1.00 0.00 C ATOM 831 NZ LYS A 52 -10.729 -13.494 -0.218 1.00 0.00 N ATOM 0 H LYS A 52 -15.108 -10.361 2.122 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.139 -10.564 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.565 -9.623 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.970 -10.472 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.115 -12.524 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.829 -11.689 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.511 -11.177 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.847 -12.109 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.941 -14.143 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.797 -13.244 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.876 -14.373 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.672 -12.691 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.843 -13.562 0.322 1.00 0.00 H new ATOM 845 N SER A 53 -13.712 -8.182 5.511 1.00 0.00 N ATOM 846 CA SER A 53 -13.520 -6.806 5.933 1.00 0.00 C ATOM 847 C SER A 53 -12.235 -6.670 6.741 1.00 0.00 C ATOM 848 O SER A 53 -12.036 -7.386 7.724 1.00 0.00 O ATOM 849 CB SER A 53 -14.729 -6.335 6.748 1.00 0.00 C ATOM 850 OG SER A 53 -14.901 -7.117 7.921 1.00 0.00 O ATOM 0 H SER A 53 -13.702 -8.865 6.268 1.00 0.00 H new ATOM 0 HA SER A 53 -13.431 -6.175 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.599 -5.288 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.628 -6.394 6.135 1.00 0.00 H new ATOM 0 HG SER A 53 -14.037 -7.489 8.196 1.00 0.00 H new ATOM 856 N GLY A 54 -11.359 -5.769 6.319 1.00 0.00 N ATOM 857 CA GLY A 54 -10.111 -5.574 7.029 1.00 0.00 C ATOM 858 C GLY A 54 -9.392 -4.310 6.610 1.00 0.00 C ATOM 859 O GLY A 54 -9.888 -3.557 5.765 1.00 0.00 O ATOM 0 H GLY A 54 -11.489 -5.172 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.309 -5.536 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.461 -6.432 6.855 1.00 0.00 H new ATOM 863 N LEU A 55 -8.223 -4.081 7.197 1.00 0.00 N ATOM 864 CA LEU A 55 -7.439 -2.880 6.929 1.00 0.00 C ATOM 865 C LEU A 55 -6.580 -3.045 5.682 1.00 0.00 C ATOM 866 O LEU A 55 -5.815 -4.006 5.561 1.00 0.00 O ATOM 867 CB LEU A 55 -6.539 -2.536 8.126 1.00 0.00 C ATOM 868 CG LEU A 55 -7.210 -1.771 9.275 1.00 0.00 C ATOM 869 CD1 LEU A 55 -7.789 -0.456 8.775 1.00 0.00 C ATOM 870 CD2 LEU A 55 -8.289 -2.612 9.940 1.00 0.00 C ATOM 0 H LEU A 55 -7.794 -4.718 7.868 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.144 -2.065 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.128 -3.464 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.698 -1.944 7.765 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.448 -1.553 10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.261 0.072 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.990 0.159 8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.532 -0.656 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.746 -2.043 10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.051 -2.874 9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.845 -3.523 10.342 1.00 0.00 H new ATOM 882 N VAL A 56 -6.723 -2.110 4.755 1.00 0.00 N ATOM 883 CA VAL A 56 -5.897 -2.066 3.556 1.00 0.00 C ATOM 884 C VAL A 56 -5.453 -0.630 3.286 1.00 0.00 C ATOM 885 O VAL A 56 -6.142 0.317 3.665 1.00 0.00 O ATOM 886 CB VAL A 56 -6.639 -2.613 2.313 1.00 0.00 C ATOM 887 CG1 VAL A 56 -6.935 -4.096 2.468 1.00 0.00 C ATOM 888 CG2 VAL A 56 -7.923 -1.839 2.067 1.00 0.00 C ATOM 0 H VAL A 56 -7.413 -1.361 4.812 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.031 -2.704 3.736 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.988 -2.482 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.457 -4.457 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.000 -4.643 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.561 -4.252 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.428 -2.241 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.576 -1.932 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.688 -0.788 1.901 1.00 0.00 H new ATOM 898 N PRO A 57 -4.288 -0.446 2.652 1.00 0.00 N ATOM 899 CA PRO A 57 -3.766 0.885 2.335 1.00 0.00 C ATOM 900 C PRO A 57 -4.669 1.638 1.360 1.00 0.00 C ATOM 901 O PRO A 57 -5.090 1.090 0.340 1.00 0.00 O ATOM 902 CB PRO A 57 -2.406 0.599 1.688 1.00 0.00 C ATOM 903 CG PRO A 57 -2.073 -0.801 2.076 1.00 0.00 C ATOM 904 CD PRO A 57 -3.386 -1.514 2.199 1.00 0.00 C ATOM 0 HA PRO A 57 -3.703 1.517 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.456 0.706 0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.647 1.297 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.440 -1.275 1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.525 -0.826 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.707 -1.940 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.337 -2.334 2.915 1.00 0.00 H new ATOM 912 N ALA A 58 -4.953 2.898 1.677 1.00 0.00 N ATOM 913 CA ALA A 58 -5.830 3.728 0.853 1.00 0.00 C ATOM 914 C ALA A 58 -5.306 3.869 -0.577 1.00 0.00 C ATOM 915 O ALA A 58 -6.080 3.926 -1.528 1.00 0.00 O ATOM 916 CB ALA A 58 -5.997 5.101 1.487 1.00 0.00 C ATOM 0 H ALA A 58 -4.587 3.370 2.504 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.799 3.231 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.652 5.712 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.435 4.993 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.023 5.584 1.571 1.00 0.00 H new ATOM 922 N GLN A 59 -3.985 3.893 -0.718 1.00 0.00 N ATOM 923 CA GLN A 59 -3.350 4.080 -2.023 1.00 0.00 C ATOM 924 C GLN A 59 -3.346 2.793 -2.851 1.00 0.00 C ATOM 925 O GLN A 59 -2.688 2.718 -3.888 1.00 0.00 O ATOM 926 CB GLN A 59 -1.919 4.595 -1.847 1.00 0.00 C ATOM 927 CG GLN A 59 -1.103 3.814 -0.828 1.00 0.00 C ATOM 928 CD GLN A 59 0.355 4.230 -0.806 1.00 0.00 C ATOM 929 OE1 GLN A 59 0.920 4.605 -1.830 1.00 0.00 O ATOM 930 NE2 GLN A 59 0.969 4.167 0.363 1.00 0.00 N ATOM 0 H GLN A 59 -3.329 3.785 0.056 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.938 4.819 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.410 4.559 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.955 5.641 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.533 3.958 0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.170 2.750 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.462 3.850 1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.950 4.436 0.439 1.00 0.00 H new ATOM 939 N PHE A 60 -4.069 1.784 -2.390 1.00 0.00 N ATOM 940 CA PHE A 60 -4.195 0.536 -3.132 1.00 0.00 C ATOM 941 C PHE A 60 -5.576 0.440 -3.764 1.00 0.00 C ATOM 942 O PHE A 60 -5.805 -0.361 -4.674 1.00 0.00 O ATOM 943 CB PHE A 60 -3.956 -0.671 -2.217 1.00 0.00 C ATOM 944 CG PHE A 60 -2.509 -0.922 -1.881 1.00 0.00 C ATOM 945 CD1 PHE A 60 -1.603 0.122 -1.794 1.00 0.00 C ATOM 946 CD2 PHE A 60 -2.060 -2.211 -1.649 1.00 0.00 C ATOM 947 CE1 PHE A 60 -0.279 -0.113 -1.483 1.00 0.00 C ATOM 948 CE2 PHE A 60 -0.736 -2.453 -1.339 1.00 0.00 C ATOM 949 CZ PHE A 60 0.154 -1.401 -1.256 1.00 0.00 C ATOM 0 H PHE A 60 -4.578 1.803 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.439 0.529 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.511 -0.524 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.365 -1.561 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.937 1.134 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.753 -3.037 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.416 0.711 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.398 -3.463 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.190 -1.588 -1.013 1.00 0.00 H new ATOM 959 N ILE A 61 -6.485 1.276 -3.286 1.00 0.00 N ATOM 960 CA ILE A 61 -7.870 1.238 -3.723 1.00 0.00 C ATOM 961 C ILE A 61 -8.117 2.256 -4.830 1.00 0.00 C ATOM 962 O ILE A 61 -7.679 3.403 -4.738 1.00 0.00 O ATOM 963 CB ILE A 61 -8.830 1.533 -2.542 1.00 0.00 C ATOM 964 CG1 ILE A 61 -8.596 0.546 -1.392 1.00 0.00 C ATOM 965 CG2 ILE A 61 -10.283 1.487 -3.000 1.00 0.00 C ATOM 966 CD1 ILE A 61 -8.803 -0.904 -1.777 1.00 0.00 C ATOM 0 H ILE A 61 -6.285 1.994 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.065 0.236 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.619 2.539 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.579 0.671 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.269 0.794 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.938 1.697 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.443 2.234 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.508 0.497 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.619 -1.540 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.827 -1.046 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.112 -1.170 -2.576 1.00 0.00 H new ATOM 978 N GLU A 62 -8.801 1.827 -5.884 1.00 0.00 N ATOM 979 CA GLU A 62 -9.257 2.739 -6.921 1.00 0.00 C ATOM 980 C GLU A 62 -10.761 2.955 -6.756 1.00 0.00 C ATOM 981 O GLU A 62 -11.567 2.180 -7.277 1.00 0.00 O ATOM 982 CB GLU A 62 -8.960 2.167 -8.311 1.00 0.00 C ATOM 983 CG GLU A 62 -9.107 3.172 -9.442 1.00 0.00 C ATOM 984 CD GLU A 62 -7.789 3.816 -9.823 1.00 0.00 C ATOM 985 OE1 GLU A 62 -7.328 4.725 -9.103 1.00 0.00 O ATOM 986 OE2 GLU A 62 -7.209 3.418 -10.852 1.00 0.00 O ATOM 0 H GLU A 62 -9.051 0.851 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.730 3.688 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.944 1.773 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.629 1.327 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.529 2.673 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.814 3.947 -9.145 1.00 0.00 H new ATOM 993 N PRO A 63 -11.165 3.972 -5.978 1.00 0.00 N ATOM 994 CA PRO A 63 -12.577 4.260 -5.735 1.00 0.00 C ATOM 995 C PRO A 63 -13.283 4.723 -6.998 1.00 0.00 C ATOM 996 O PRO A 63 -12.742 5.520 -7.770 1.00 0.00 O ATOM 997 CB PRO A 63 -12.560 5.384 -4.692 1.00 0.00 C ATOM 998 CG PRO A 63 -11.168 5.399 -4.152 1.00 0.00 C ATOM 999 CD PRO A 63 -10.292 4.913 -5.267 1.00 0.00 C ATOM 0 HA PRO A 63 -13.117 3.374 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.818 6.343 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.287 5.198 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.881 6.403 -3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.081 4.755 -3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.967 5.730 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.392 4.426 -4.892 1.00 0.00 H new ATOM 1007 N VAL A 64 -14.489 4.227 -7.208 1.00 0.00 N ATOM 1008 CA VAL A 64 -15.255 4.594 -8.380 1.00 0.00 C ATOM 1009 C VAL A 64 -16.193 5.755 -8.069 1.00 0.00 C ATOM 1010 O VAL A 64 -17.184 5.613 -7.348 1.00 0.00 O ATOM 1011 CB VAL A 64 -16.045 3.397 -8.964 1.00 0.00 C ATOM 1012 CG1 VAL A 64 -15.092 2.369 -9.556 1.00 0.00 C ATOM 1013 CG2 VAL A 64 -16.927 2.745 -7.910 1.00 0.00 C ATOM 0 H VAL A 64 -14.956 3.571 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.542 4.911 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.691 3.781 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.664 1.534 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.508 2.830 -10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.421 2.005 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -17.467 1.909 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -16.307 2.382 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -17.640 3.476 -7.529 1.00 0.00 H new ATOM 1152 N MET B 1 19.531 0.216 -9.719 1.00 0.00 N ATOM 1153 CA MET B 1 18.201 0.269 -10.359 1.00 0.00 C ATOM 1154 C MET B 1 17.366 1.372 -9.752 1.00 0.00 C ATOM 1155 O MET B 1 17.466 1.661 -8.561 1.00 0.00 O ATOM 1156 CB MET B 1 17.460 -1.061 -10.199 1.00 0.00 C ATOM 1157 CG MET B 1 17.357 -1.544 -8.760 1.00 0.00 C ATOM 1158 SD MET B 1 16.776 -3.243 -8.640 1.00 0.00 S ATOM 1159 CE MET B 1 16.317 -3.322 -6.911 1.00 0.00 C ATOM 0 H1 MET B 1 20.080 -0.569 -10.124 1.00 0.00 H new ATOM 0 H2 MET B 1 20.032 1.112 -9.886 1.00 0.00 H new ATOM 0 H3 MET B 1 19.418 0.068 -8.696 1.00 0.00 H new ATOM 0 HA MET B 1 18.355 0.466 -11.420 1.00 0.00 H new ATOM 0 HB2 MET B 1 16.455 -0.957 -10.609 1.00 0.00 H new ATOM 0 HB3 MET B 1 17.969 -1.822 -10.791 1.00 0.00 H new ATOM 0 HG2 MET B 1 18.334 -1.463 -8.283 1.00 0.00 H new ATOM 0 HG3 MET B 1 16.679 -0.892 -8.210 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.296 -4.363 -6.587 1.00 0.00 H new ATOM 0 HE2 MET B 1 17.045 -2.771 -6.316 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.330 -2.881 -6.776 1.00 0.00 H new ATOM 1171 N GLN B 2 16.534 1.984 -10.567 1.00 0.00 N ATOM 1172 CA GLN B 2 15.621 2.992 -10.081 1.00 0.00 C ATOM 1173 C GLN B 2 14.324 2.330 -9.655 1.00 0.00 C ATOM 1174 O GLN B 2 13.723 1.573 -10.419 1.00 0.00 O ATOM 1175 CB GLN B 2 15.350 4.044 -11.156 1.00 0.00 C ATOM 1176 CG GLN B 2 16.587 4.823 -11.573 1.00 0.00 C ATOM 1177 CD GLN B 2 16.309 5.768 -12.723 1.00 0.00 C ATOM 1178 OE1 GLN B 2 16.431 5.392 -13.888 1.00 0.00 O ATOM 1179 NE2 GLN B 2 15.941 7.000 -12.410 1.00 0.00 N ATOM 0 H GLN B 2 16.472 1.800 -11.568 1.00 0.00 H new ATOM 0 HA GLN B 2 16.072 3.495 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN B 2 14.927 3.554 -12.033 1.00 0.00 H new ATOM 0 HB3 GLN B 2 14.599 4.742 -10.787 1.00 0.00 H new ATOM 0 HG2 GLN B 2 16.961 5.391 -10.721 1.00 0.00 H new ATOM 0 HG3 GLN B 2 17.373 4.125 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN B 2 15.851 7.272 -11.431 1.00 0.00 H new ATOM 0 HE22 GLN B 2 15.747 7.677 -13.148 1.00 0.00 H new ATOM 1188 N ILE B 3 13.912 2.589 -8.431 1.00 0.00 N ATOM 1189 CA ILE B 3 12.646 2.087 -7.940 1.00 0.00 C ATOM 1190 C ILE B 3 11.736 3.259 -7.640 1.00 0.00 C ATOM 1191 O ILE B 3 12.168 4.270 -7.081 1.00 0.00 O ATOM 1192 CB ILE B 3 12.798 1.204 -6.677 1.00 0.00 C ATOM 1193 CG1 ILE B 3 13.500 1.969 -5.549 1.00 0.00 C ATOM 1194 CG2 ILE B 3 13.555 -0.072 -7.015 1.00 0.00 C ATOM 1195 CD1 ILE B 3 13.567 1.207 -4.238 1.00 0.00 C ATOM 0 H ILE B 3 14.437 3.146 -7.757 1.00 0.00 H new ATOM 0 HA ILE B 3 12.218 1.453 -8.717 1.00 0.00 H new ATOM 0 HB ILE B 3 11.802 0.936 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE B 3 14.513 2.216 -5.866 1.00 0.00 H new ATOM 0 HG13 ILE B 3 12.979 2.912 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE B 3 13.655 -0.684 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE B 3 13.008 -0.629 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE B 3 14.545 0.182 -7.393 1.00 0.00 H new ATOM 0 HD11 ILE B 3 14.078 1.814 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE B 3 12.557 0.983 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE B 3 14.115 0.276 -4.386 1.00 0.00 H new ATOM 1207 N PHE B 4 10.491 3.142 -8.048 1.00 0.00 N ATOM 1208 CA PHE B 4 9.545 4.225 -7.887 1.00 0.00 C ATOM 1209 C PHE B 4 8.649 3.957 -6.695 1.00 0.00 C ATOM 1210 O PHE B 4 7.649 3.247 -6.800 1.00 0.00 O ATOM 1211 CB PHE B 4 8.707 4.400 -9.157 1.00 0.00 C ATOM 1212 CG PHE B 4 9.535 4.596 -10.397 1.00 0.00 C ATOM 1213 CD1 PHE B 4 10.007 5.852 -10.743 1.00 0.00 C ATOM 1214 CD2 PHE B 4 9.842 3.521 -11.216 1.00 0.00 C ATOM 1215 CE1 PHE B 4 10.771 6.031 -11.881 1.00 0.00 C ATOM 1216 CE2 PHE B 4 10.604 3.695 -12.355 1.00 0.00 C ATOM 1217 CZ PHE B 4 11.069 4.952 -12.688 1.00 0.00 C ATOM 0 H PHE B 4 10.110 2.307 -8.494 1.00 0.00 H new ATOM 0 HA PHE B 4 10.097 5.148 -7.712 1.00 0.00 H new ATOM 0 HB2 PHE B 4 8.072 3.524 -9.288 1.00 0.00 H new ATOM 0 HB3 PHE B 4 8.045 5.257 -9.032 1.00 0.00 H new ATOM 0 HD1 PHE B 4 9.775 6.701 -10.116 1.00 0.00 H new ATOM 0 HD2 PHE B 4 9.481 2.536 -10.961 1.00 0.00 H new ATOM 0 HE1 PHE B 4 11.135 7.015 -12.138 1.00 0.00 H new ATOM 0 HE2 PHE B 4 10.836 2.849 -12.985 1.00 0.00 H new ATOM 0 HZ PHE B 4 11.665 5.090 -13.578 1.00 0.00 H new ATOM 1227 N VAL B 5 9.037 4.489 -5.552 1.00 0.00 N ATOM 1228 CA VAL B 5 8.265 4.306 -4.343 1.00 0.00 C ATOM 1229 C VAL B 5 7.295 5.466 -4.152 1.00 0.00 C ATOM 1230 O VAL B 5 7.696 6.608 -3.930 1.00 0.00 O ATOM 1231 CB VAL B 5 9.172 4.127 -3.096 1.00 0.00 C ATOM 1232 CG1 VAL B 5 10.223 5.223 -3.007 1.00 0.00 C ATOM 1233 CG2 VAL B 5 8.336 4.083 -1.825 1.00 0.00 C ATOM 0 H VAL B 5 9.881 5.050 -5.437 1.00 0.00 H new ATOM 0 HA VAL B 5 7.691 3.386 -4.453 1.00 0.00 H new ATOM 0 HB VAL B 5 9.694 3.176 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.839 5.065 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL B 5 10.852 5.197 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL B 5 9.732 6.194 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL B 5 8.991 3.957 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.778 5.014 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL B 5 7.639 3.246 -1.877 1.00 0.00 H new ATOM 1243 N LYS B 6 6.015 5.171 -4.299 1.00 0.00 N ATOM 1244 CA LYS B 6 4.982 6.158 -4.053 1.00 0.00 C ATOM 1245 C LYS B 6 4.618 6.153 -2.583 1.00 0.00 C ATOM 1246 O LYS B 6 4.254 5.112 -2.026 1.00 0.00 O ATOM 1247 CB LYS B 6 3.738 5.898 -4.909 1.00 0.00 C ATOM 1248 CG LYS B 6 3.857 6.386 -6.345 1.00 0.00 C ATOM 1249 CD LYS B 6 4.692 5.447 -7.205 1.00 0.00 C ATOM 1250 CE LYS B 6 4.938 6.028 -8.592 1.00 0.00 C ATOM 1251 NZ LYS B 6 3.675 6.313 -9.323 1.00 0.00 N ATOM 0 H LYS B 6 5.668 4.256 -4.587 1.00 0.00 H new ATOM 0 HA LYS B 6 5.372 7.137 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS B 6 3.533 4.827 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS B 6 2.881 6.383 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.861 6.483 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS B 6 4.306 7.379 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS B 6 5.647 5.256 -6.715 1.00 0.00 H new ATOM 0 HD3 LYS B 6 4.183 4.487 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS B 6 5.516 6.948 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS B 6 5.541 5.330 -9.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.895 6.593 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 3.080 5.460 -9.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 3.165 7.085 -8.848 1.00 0.00 H new ATOM 1265 N THR B 7 4.739 7.307 -1.955 1.00 0.00 N ATOM 1266 CA THR B 7 4.456 7.437 -0.540 1.00 0.00 C ATOM 1267 C THR B 7 2.955 7.414 -0.287 1.00 0.00 C ATOM 1268 O THR B 7 2.159 7.397 -1.226 1.00 0.00 O ATOM 1269 CB THR B 7 5.064 8.734 0.023 1.00 0.00 C ATOM 1270 OG1 THR B 7 4.584 9.860 -0.724 1.00 0.00 O ATOM 1271 CG2 THR B 7 6.584 8.686 -0.037 1.00 0.00 C ATOM 0 H THR B 7 5.033 8.173 -2.407 1.00 0.00 H new ATOM 0 HA THR B 7 4.911 6.589 -0.029 1.00 0.00 H new ATOM 0 HB THR B 7 4.761 8.834 1.065 1.00 0.00 H new ATOM 0 HG1 THR B 7 4.008 10.410 -0.153 1.00 0.00 H new ATOM 0 HG21 THR B 7 6.993 9.612 0.366 1.00 0.00 H new ATOM 0 HG22 THR B 7 6.945 7.843 0.553 1.00 0.00 H new ATOM 0 HG23 THR B 7 6.904 8.568 -1.072 1.00 0.00 H new ATOM 1279 N LEU B 8 2.576 7.427 0.983 1.00 0.00 N ATOM 1280 CA LEU B 8 1.172 7.368 1.370 1.00 0.00 C ATOM 1281 C LEU B 8 0.428 8.615 0.884 1.00 0.00 C ATOM 1282 O LEU B 8 -0.793 8.610 0.740 1.00 0.00 O ATOM 1283 CB LEU B 8 1.073 7.215 2.893 1.00 0.00 C ATOM 1284 CG LEU B 8 -0.249 6.649 3.432 1.00 0.00 C ATOM 1285 CD1 LEU B 8 -0.009 5.933 4.751 1.00 0.00 C ATOM 1286 CD2 LEU B 8 -1.279 7.755 3.625 1.00 0.00 C ATOM 0 H LEU B 8 3.225 7.478 1.768 1.00 0.00 H new ATOM 0 HA LEU B 8 0.700 6.505 0.901 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.884 6.568 3.226 1.00 0.00 H new ATOM 0 HB3 LEU B 8 1.238 8.192 3.347 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.638 5.941 2.701 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -0.952 5.535 5.126 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.695 5.115 4.598 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.402 6.635 5.476 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.206 7.327 4.007 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.897 8.488 4.336 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.472 8.243 2.670 1.00 0.00 H new ATOM 1298 N THR B 9 1.179 9.674 0.612 1.00 0.00 N ATOM 1299 CA THR B 9 0.604 10.914 0.117 1.00 0.00 C ATOM 1300 C THR B 9 0.439 10.886 -1.402 1.00 0.00 C ATOM 1301 O THR B 9 -0.178 11.778 -1.982 1.00 0.00 O ATOM 1302 CB THR B 9 1.478 12.117 0.520 1.00 0.00 C ATOM 1303 OG1 THR B 9 2.862 11.813 0.290 1.00 0.00 O ATOM 1304 CG2 THR B 9 1.270 12.472 1.984 1.00 0.00 C ATOM 0 H THR B 9 2.192 9.697 0.727 1.00 0.00 H new ATOM 0 HA THR B 9 -0.382 11.018 0.569 1.00 0.00 H new ATOM 0 HB THR B 9 1.185 12.972 -0.089 1.00 0.00 H new ATOM 0 HG1 THR B 9 3.413 12.582 0.546 1.00 0.00 H new ATOM 0 HG21 THR B 9 1.898 13.324 2.245 1.00 0.00 H new ATOM 0 HG22 THR B 9 0.224 12.728 2.151 1.00 0.00 H new ATOM 0 HG23 THR B 9 1.539 11.619 2.607 1.00 0.00 H new ATOM 1312 N GLY B 10 0.989 9.855 -2.040 1.00 0.00 N ATOM 1313 CA GLY B 10 0.885 9.732 -3.479 1.00 0.00 C ATOM 1314 C GLY B 10 2.070 10.344 -4.193 1.00 0.00 C ATOM 1315 O GLY B 10 2.050 10.514 -5.412 1.00 0.00 O ATOM 0 H GLY B 10 1.505 9.103 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY B 10 0.806 8.678 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.031 10.216 -3.818 1.00 0.00 H new ATOM 1319 N LYS B 11 3.108 10.667 -3.435 1.00 0.00 N ATOM 1320 CA LYS B 11 4.296 11.292 -3.989 1.00 0.00 C ATOM 1321 C LYS B 11 5.249 10.237 -4.542 1.00 0.00 C ATOM 1322 O LYS B 11 5.564 9.257 -3.866 1.00 0.00 O ATOM 1323 CB LYS B 11 4.991 12.134 -2.915 1.00 0.00 C ATOM 1324 CG LYS B 11 6.242 12.844 -3.399 1.00 0.00 C ATOM 1325 CD LYS B 11 6.865 13.680 -2.295 1.00 0.00 C ATOM 1326 CE LYS B 11 8.157 14.338 -2.754 1.00 0.00 C ATOM 1327 NZ LYS B 11 7.944 15.273 -3.891 1.00 0.00 N ATOM 0 H LYS B 11 3.149 10.505 -2.429 1.00 0.00 H new ATOM 0 HA LYS B 11 3.999 11.944 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS B 11 4.287 12.876 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS B 11 5.253 11.489 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS B 11 6.965 12.110 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS B 11 5.995 13.483 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS B 11 6.159 14.446 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.065 13.049 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS B 11 8.602 14.880 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS B 11 8.869 13.567 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 8.818 15.808 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.690 14.732 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 7.175 15.933 -3.658 1.00 0.00 H new ATOM 1341 N THR B 12 5.697 10.442 -5.771 1.00 0.00 N ATOM 1342 CA THR B 12 6.609 9.512 -6.415 1.00 0.00 C ATOM 1343 C THR B 12 8.055 9.812 -6.036 1.00 0.00 C ATOM 1344 O THR B 12 8.605 10.853 -6.402 1.00 0.00 O ATOM 1345 CB THR B 12 6.463 9.564 -7.952 1.00 0.00 C ATOM 1346 OG1 THR B 12 5.140 9.168 -8.334 1.00 0.00 O ATOM 1347 CG2 THR B 12 7.486 8.665 -8.638 1.00 0.00 C ATOM 0 H THR B 12 5.442 11.247 -6.343 1.00 0.00 H new ATOM 0 HA THR B 12 6.349 8.512 -6.067 1.00 0.00 H new ATOM 0 HB THR B 12 6.643 10.591 -8.270 1.00 0.00 H new ATOM 0 HG1 THR B 12 5.139 8.897 -9.276 1.00 0.00 H new ATOM 0 HG21 THR B 12 7.356 8.725 -9.719 1.00 0.00 H new ATOM 0 HG22 THR B 12 8.492 8.992 -8.375 1.00 0.00 H new ATOM 0 HG23 THR B 12 7.342 7.635 -8.312 1.00 0.00 H new ATOM 1355 N ILE B 13 8.659 8.907 -5.286 1.00 0.00 N ATOM 1356 CA ILE B 13 10.068 9.013 -4.961 1.00 0.00 C ATOM 1357 C ILE B 13 10.877 8.098 -5.870 1.00 0.00 C ATOM 1358 O ILE B 13 10.854 6.874 -5.719 1.00 0.00 O ATOM 1359 CB ILE B 13 10.347 8.646 -3.484 1.00 0.00 C ATOM 1360 CG1 ILE B 13 9.516 9.521 -2.539 1.00 0.00 C ATOM 1361 CG2 ILE B 13 11.832 8.787 -3.169 1.00 0.00 C ATOM 1362 CD1 ILE B 13 9.826 11.000 -2.638 1.00 0.00 C ATOM 0 H ILE B 13 8.194 8.090 -4.891 1.00 0.00 H new ATOM 0 HA ILE B 13 10.364 10.051 -5.113 1.00 0.00 H new ATOM 0 HB ILE B 13 10.057 7.606 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.458 9.367 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.685 9.193 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE B 13 12.009 8.525 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE B 13 12.405 8.120 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE B 13 12.145 9.817 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.197 11.551 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.875 11.169 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE B 13 9.629 11.346 -3.653 1.00 0.00 H new ATOM 1374 N THR B 14 11.556 8.687 -6.842 1.00 0.00 N ATOM 1375 CA THR B 14 12.442 7.928 -7.703 1.00 0.00 C ATOM 1376 C THR B 14 13.757 7.683 -6.973 1.00 0.00 C ATOM 1377 O THR B 14 14.518 8.616 -6.720 1.00 0.00 O ATOM 1378 CB THR B 14 12.713 8.674 -9.025 1.00 0.00 C ATOM 1379 OG1 THR B 14 11.472 9.059 -9.635 1.00 0.00 O ATOM 1380 CG2 THR B 14 13.504 7.801 -9.989 1.00 0.00 C ATOM 0 H THR B 14 11.509 9.684 -7.052 1.00 0.00 H new ATOM 0 HA THR B 14 11.963 6.979 -7.945 1.00 0.00 H new ATOM 0 HB THR B 14 13.300 9.564 -8.798 1.00 0.00 H new ATOM 0 HG1 THR B 14 11.016 8.263 -9.979 1.00 0.00 H new ATOM 0 HG21 THR B 14 13.682 8.350 -10.914 1.00 0.00 H new ATOM 0 HG22 THR B 14 14.459 7.532 -9.537 1.00 0.00 H new ATOM 0 HG23 THR B 14 12.938 6.895 -10.208 1.00 0.00 H new ATOM 1388 N LEU B 15 14.016 6.438 -6.623 1.00 0.00 N ATOM 1389 CA LEU B 15 15.181 6.115 -5.818 1.00 0.00 C ATOM 1390 C LEU B 15 16.102 5.150 -6.549 1.00 0.00 C ATOM 1391 O LEU B 15 15.694 4.052 -6.925 1.00 0.00 O ATOM 1392 CB LEU B 15 14.737 5.522 -4.490 1.00 0.00 C ATOM 1393 CG LEU B 15 15.796 5.558 -3.390 1.00 0.00 C ATOM 1394 CD1 LEU B 15 16.358 6.963 -3.221 1.00 0.00 C ATOM 1395 CD2 LEU B 15 15.199 5.076 -2.088 1.00 0.00 C ATOM 0 H LEU B 15 13.440 5.637 -6.881 1.00 0.00 H new ATOM 0 HA LEU B 15 15.740 7.032 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.855 6.060 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.436 4.487 -4.652 1.00 0.00 H new ATOM 0 HG LEU B 15 16.614 4.898 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 15 17.110 6.962 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU B 15 16.814 7.287 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU B 15 15.553 7.647 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU B 15 15.959 5.104 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU B 15 14.367 5.722 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU B 15 14.840 4.054 -2.209 1.00 0.00 H new ATOM 1407 N GLU B 16 17.342 5.569 -6.764 1.00 0.00 N ATOM 1408 CA GLU B 16 18.331 4.726 -7.417 1.00 0.00 C ATOM 1409 C GLU B 16 19.021 3.858 -6.366 1.00 0.00 C ATOM 1410 O GLU B 16 19.879 4.329 -5.617 1.00 0.00 O ATOM 1411 CB GLU B 16 19.347 5.595 -8.169 1.00 0.00 C ATOM 1412 CG GLU B 16 20.015 4.910 -9.356 1.00 0.00 C ATOM 1413 CD GLU B 16 20.917 3.760 -8.960 1.00 0.00 C ATOM 1414 OE1 GLU B 16 21.994 4.017 -8.381 1.00 0.00 O ATOM 1415 OE2 GLU B 16 20.561 2.598 -9.235 1.00 0.00 O ATOM 0 H GLU B 16 17.686 6.491 -6.494 1.00 0.00 H new ATOM 0 HA GLU B 16 17.843 4.076 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU B 16 18.844 6.495 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU B 16 20.119 5.915 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU B 16 19.245 4.541 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU B 16 20.599 5.646 -9.909 1.00 0.00 H new ATOM 1422 N VAL B 17 18.626 2.599 -6.301 1.00 0.00 N ATOM 1423 CA VAL B 17 19.110 1.693 -5.271 1.00 0.00 C ATOM 1424 C VAL B 17 19.787 0.474 -5.885 1.00 0.00 C ATOM 1425 O VAL B 17 19.580 0.154 -7.056 1.00 0.00 O ATOM 1426 CB VAL B 17 17.959 1.214 -4.359 1.00 0.00 C ATOM 1427 CG1 VAL B 17 17.323 2.385 -3.634 1.00 0.00 C ATOM 1428 CG2 VAL B 17 16.919 0.456 -5.168 1.00 0.00 C ATOM 0 H VAL B 17 17.966 2.177 -6.954 1.00 0.00 H new ATOM 0 HA VAL B 17 19.834 2.250 -4.676 1.00 0.00 H new ATOM 0 HB VAL B 17 18.374 0.538 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.515 2.024 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL B 17 18.073 2.884 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.923 3.090 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.116 0.126 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.511 1.109 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL B 17 17.384 -0.412 -5.636 1.00 0.00 H new ATOM 1438 N GLU B 18 20.594 -0.204 -5.088 1.00 0.00 N ATOM 1439 CA GLU B 18 21.246 -1.421 -5.516 1.00 0.00 C ATOM 1440 C GLU B 18 20.295 -2.599 -5.367 1.00 0.00 C ATOM 1441 O GLU B 18 19.476 -2.622 -4.455 1.00 0.00 O ATOM 1442 CB GLU B 18 22.491 -1.649 -4.671 1.00 0.00 C ATOM 1443 CG GLU B 18 23.508 -0.528 -4.772 1.00 0.00 C ATOM 1444 CD GLU B 18 24.700 -0.753 -3.871 1.00 0.00 C ATOM 1445 OE1 GLU B 18 25.527 -1.633 -4.183 1.00 0.00 O ATOM 1446 OE2 GLU B 18 24.803 -0.067 -2.832 1.00 0.00 O ATOM 0 H GLU B 18 20.813 0.075 -4.131 1.00 0.00 H new ATOM 0 HA GLU B 18 21.531 -1.330 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU B 18 22.196 -1.767 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU B 18 22.961 -2.583 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU B 18 23.847 -0.440 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU B 18 23.031 0.417 -4.511 1.00 0.00 H new ATOM 1453 N SER B 19 20.406 -3.580 -6.250 1.00 0.00 N ATOM 1454 CA SER B 19 19.540 -4.753 -6.188 1.00 0.00 C ATOM 1455 C SER B 19 19.846 -5.592 -4.949 1.00 0.00 C ATOM 1456 O SER B 19 18.993 -6.327 -4.458 1.00 0.00 O ATOM 1457 CB SER B 19 19.702 -5.591 -7.454 1.00 0.00 C ATOM 1458 OG SER B 19 19.507 -4.794 -8.611 1.00 0.00 O ATOM 0 H SER B 19 21.082 -3.590 -7.014 1.00 0.00 H new ATOM 0 HA SER B 19 18.506 -4.415 -6.119 1.00 0.00 H new ATOM 0 HB2 SER B 19 20.697 -6.036 -7.477 1.00 0.00 H new ATOM 0 HB3 SER B 19 18.985 -6.412 -7.447 1.00 0.00 H new ATOM 0 HG SER B 19 18.613 -4.393 -8.585 1.00 0.00 H new ATOM 1464 N SER B 20 21.059 -5.457 -4.436 1.00 0.00 N ATOM 1465 CA SER B 20 21.477 -6.210 -3.265 1.00 0.00 C ATOM 1466 C SER B 20 21.456 -5.329 -2.016 1.00 0.00 C ATOM 1467 O SER B 20 21.986 -5.705 -0.968 1.00 0.00 O ATOM 1468 CB SER B 20 22.879 -6.770 -3.498 1.00 0.00 C ATOM 1469 OG SER B 20 22.949 -7.444 -4.745 1.00 0.00 O ATOM 0 H SER B 20 21.772 -4.832 -4.813 1.00 0.00 H new ATOM 0 HA SER B 20 20.780 -7.033 -3.106 1.00 0.00 H new ATOM 0 HB2 SER B 20 23.608 -5.960 -3.475 1.00 0.00 H new ATOM 0 HB3 SER B 20 23.140 -7.457 -2.693 1.00 0.00 H new ATOM 0 HG SER B 20 23.855 -7.794 -4.877 1.00 0.00 H new ATOM 1475 N ASP B 21 20.828 -4.163 -2.128 1.00 0.00 N ATOM 1476 CA ASP B 21 20.751 -3.226 -1.013 1.00 0.00 C ATOM 1477 C ASP B 21 19.682 -3.688 -0.029 1.00 0.00 C ATOM 1478 O ASP B 21 18.689 -4.305 -0.428 1.00 0.00 O ATOM 1479 CB ASP B 21 20.437 -1.813 -1.519 1.00 0.00 C ATOM 1480 CG ASP B 21 20.726 -0.739 -0.486 1.00 0.00 C ATOM 1481 OD1 ASP B 21 21.792 -0.807 0.160 1.00 0.00 O ATOM 1482 OD2 ASP B 21 19.909 0.193 -0.337 1.00 0.00 O ATOM 0 H ASP B 21 20.365 -3.844 -2.979 1.00 0.00 H new ATOM 0 HA ASP B 21 21.715 -3.199 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP B 21 21.024 -1.615 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP B 21 19.387 -1.760 -1.807 1.00 0.00 H new ATOM 1487 N THR B 22 19.890 -3.414 1.248 1.00 0.00 N ATOM 1488 CA THR B 22 18.968 -3.859 2.279 1.00 0.00 C ATOM 1489 C THR B 22 17.737 -2.960 2.333 1.00 0.00 C ATOM 1490 O THR B 22 17.811 -1.772 2.023 1.00 0.00 O ATOM 1491 CB THR B 22 19.646 -3.871 3.664 1.00 0.00 C ATOM 1492 OG1 THR B 22 20.146 -2.569 3.971 1.00 0.00 O ATOM 1493 CG2 THR B 22 20.788 -4.874 3.710 1.00 0.00 C ATOM 0 H THR B 22 20.690 -2.885 1.596 1.00 0.00 H new ATOM 0 HA THR B 22 18.663 -4.874 2.023 1.00 0.00 H new ATOM 0 HB THR B 22 18.899 -4.165 4.401 1.00 0.00 H new ATOM 0 HG1 THR B 22 20.574 -2.582 4.853 1.00 0.00 H new ATOM 0 HG21 THR B 22 21.246 -4.859 4.699 1.00 0.00 H new ATOM 0 HG22 THR B 22 20.404 -5.873 3.503 1.00 0.00 H new ATOM 0 HG23 THR B 22 21.534 -4.610 2.961 1.00 0.00 H new ATOM 1501 N ILE B 23 16.605 -3.532 2.735 1.00 0.00 N ATOM 1502 CA ILE B 23 15.377 -2.765 2.908 1.00 0.00 C ATOM 1503 C ILE B 23 15.607 -1.658 3.929 1.00 0.00 C ATOM 1504 O ILE B 23 15.057 -0.564 3.818 1.00 0.00 O ATOM 1505 CB ILE B 23 14.211 -3.659 3.385 1.00 0.00 C ATOM 1506 CG1 ILE B 23 14.015 -4.850 2.442 1.00 0.00 C ATOM 1507 CG2 ILE B 23 12.924 -2.852 3.493 1.00 0.00 C ATOM 1508 CD1 ILE B 23 13.616 -4.462 1.033 1.00 0.00 C ATOM 0 H ILE B 23 16.514 -4.526 2.947 1.00 0.00 H new ATOM 0 HA ILE B 23 15.109 -2.340 1.941 1.00 0.00 H new ATOM 0 HB ILE B 23 14.464 -4.042 4.374 1.00 0.00 H new ATOM 0 HG12 ILE B 23 14.941 -5.424 2.401 1.00 0.00 H new ATOM 0 HG13 ILE B 23 13.251 -5.507 2.857 1.00 0.00 H new ATOM 0 HG21 ILE B 23 12.115 -3.500 3.830 1.00 0.00 H new ATOM 0 HG22 ILE B 23 13.062 -2.041 4.209 1.00 0.00 H new ATOM 0 HG23 ILE B 23 12.672 -2.436 2.517 1.00 0.00 H new ATOM 0 HD11 ILE B 23 13.497 -5.361 0.428 1.00 0.00 H new ATOM 0 HD12 ILE B 23 12.674 -3.915 1.059 1.00 0.00 H new ATOM 0 HD13 ILE B 23 14.390 -3.831 0.596 1.00 0.00 H new ATOM 1520 N ASP B 24 16.448 -1.957 4.911 1.00 0.00 N ATOM 1521 CA ASP B 24 16.796 -1.000 5.953 1.00 0.00 C ATOM 1522 C ASP B 24 17.568 0.176 5.373 1.00 0.00 C ATOM 1523 O ASP B 24 17.311 1.331 5.714 1.00 0.00 O ATOM 1524 CB ASP B 24 17.627 -1.682 7.040 1.00 0.00 C ATOM 1525 CG ASP B 24 18.199 -0.700 8.044 1.00 0.00 C ATOM 1526 OD1 ASP B 24 17.434 -0.192 8.889 1.00 0.00 O ATOM 1527 OD2 ASP B 24 19.415 -0.431 7.989 1.00 0.00 O ATOM 0 H ASP B 24 16.905 -2.864 5.007 1.00 0.00 H new ATOM 0 HA ASP B 24 15.872 -0.624 6.392 1.00 0.00 H new ATOM 0 HB2 ASP B 24 17.006 -2.409 7.563 1.00 0.00 H new ATOM 0 HB3 ASP B 24 18.443 -2.235 6.574 1.00 0.00 H new ATOM 1532 N ASN B 25 18.504 -0.118 4.482 1.00 0.00 N ATOM 1533 CA ASN B 25 19.319 0.922 3.879 1.00 0.00 C ATOM 1534 C ASN B 25 18.500 1.720 2.871 1.00 0.00 C ATOM 1535 O ASN B 25 18.726 2.914 2.689 1.00 0.00 O ATOM 1536 CB ASN B 25 20.558 0.322 3.215 1.00 0.00 C ATOM 1537 CG ASN B 25 21.633 1.356 2.943 1.00 0.00 C ATOM 1538 OD1 ASN B 25 21.732 2.371 3.629 1.00 0.00 O ATOM 1539 ND2 ASN B 25 22.453 1.098 1.941 1.00 0.00 N ATOM 0 H ASN B 25 18.716 -1.063 4.163 1.00 0.00 H new ATOM 0 HA ASN B 25 19.652 1.599 4.666 1.00 0.00 H new ATOM 0 HB2 ASN B 25 20.966 -0.460 3.855 1.00 0.00 H new ATOM 0 HB3 ASN B 25 20.269 -0.152 2.277 1.00 0.00 H new ATOM 0 HD21 ASN B 25 23.201 1.752 1.713 1.00 0.00 H new ATOM 0 HD22 ASN B 25 22.338 0.244 1.395 1.00 0.00 H new ATOM 1546 N VAL B 26 17.538 1.064 2.221 1.00 0.00 N ATOM 1547 CA VAL B 26 16.600 1.760 1.357 1.00 0.00 C ATOM 1548 C VAL B 26 15.718 2.690 2.191 1.00 0.00 C ATOM 1549 O VAL B 26 15.486 3.838 1.812 1.00 0.00 O ATOM 1550 CB VAL B 26 15.717 0.782 0.551 1.00 0.00 C ATOM 1551 CG1 VAL B 26 14.714 1.539 -0.295 1.00 0.00 C ATOM 1552 CG2 VAL B 26 16.565 -0.110 -0.339 1.00 0.00 C ATOM 0 H VAL B 26 17.393 0.056 2.280 1.00 0.00 H new ATOM 0 HA VAL B 26 17.181 2.343 0.642 1.00 0.00 H new ATOM 0 HB VAL B 26 15.181 0.157 1.265 1.00 0.00 H new ATOM 0 HG11 VAL B 26 14.102 0.831 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL B 26 14.074 2.141 0.350 1.00 0.00 H new ATOM 0 HG13 VAL B 26 15.243 2.191 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL B 26 15.919 -0.789 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL B 26 17.131 0.506 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL B 26 17.254 -0.688 0.276 1.00 0.00 H new ATOM 1562 N LYS B 27 15.245 2.196 3.338 1.00 0.00 N ATOM 1563 CA LYS B 27 14.508 3.031 4.285 1.00 0.00 C ATOM 1564 C LYS B 27 15.343 4.241 4.676 1.00 0.00 C ATOM 1565 O LYS B 27 14.847 5.365 4.739 1.00 0.00 O ATOM 1566 CB LYS B 27 14.154 2.258 5.560 1.00 0.00 C ATOM 1567 CG LYS B 27 13.070 1.206 5.398 1.00 0.00 C ATOM 1568 CD LYS B 27 12.706 0.609 6.750 1.00 0.00 C ATOM 1569 CE LYS B 27 11.566 -0.389 6.652 1.00 0.00 C ATOM 1570 NZ LYS B 27 11.076 -0.797 7.999 1.00 0.00 N ATOM 0 H LYS B 27 15.359 1.226 3.631 1.00 0.00 H new ATOM 0 HA LYS B 27 13.588 3.345 3.791 1.00 0.00 H new ATOM 0 HB2 LYS B 27 15.056 1.773 5.934 1.00 0.00 H new ATOM 0 HB3 LYS B 27 13.836 2.970 6.321 1.00 0.00 H new ATOM 0 HG2 LYS B 27 12.187 1.652 4.940 1.00 0.00 H new ATOM 0 HG3 LYS B 27 13.415 0.420 4.727 1.00 0.00 H new ATOM 0 HD2 LYS B 27 13.581 0.117 7.175 1.00 0.00 H new ATOM 0 HD3 LYS B 27 12.427 1.410 7.435 1.00 0.00 H new ATOM 0 HE2 LYS B 27 10.746 0.049 6.083 1.00 0.00 H new ATOM 0 HE3 LYS B 27 11.899 -1.270 6.103 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 10.214 -1.370 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 11.809 -1.356 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 10.862 0.051 8.562 1.00 0.00 H new ATOM 1584 N SER B 28 16.619 3.991 4.939 1.00 0.00 N ATOM 1585 CA SER B 28 17.540 5.037 5.338 1.00 0.00 C ATOM 1586 C SER B 28 17.830 5.987 4.177 1.00 0.00 C ATOM 1587 O SER B 28 18.122 7.152 4.396 1.00 0.00 O ATOM 1588 CB SER B 28 18.829 4.426 5.875 1.00 0.00 C ATOM 1589 OG SER B 28 18.553 3.501 6.919 1.00 0.00 O ATOM 0 H SER B 28 17.039 3.063 4.881 1.00 0.00 H new ATOM 0 HA SER B 28 17.074 5.620 6.133 1.00 0.00 H new ATOM 0 HB2 SER B 28 19.362 3.922 5.068 1.00 0.00 H new ATOM 0 HB3 SER B 28 19.484 5.215 6.246 1.00 0.00 H new ATOM 0 HG SER B 28 18.109 2.710 6.547 1.00 0.00 H new ATOM 1595 N LYS B 29 17.737 5.491 2.944 1.00 0.00 N ATOM 1596 CA LYS B 29 17.866 6.349 1.767 1.00 0.00 C ATOM 1597 C LYS B 29 16.682 7.306 1.683 1.00 0.00 C ATOM 1598 O LYS B 29 16.839 8.484 1.365 1.00 0.00 O ATOM 1599 CB LYS B 29 17.950 5.519 0.481 1.00 0.00 C ATOM 1600 CG LYS B 29 19.282 4.820 0.274 1.00 0.00 C ATOM 1601 CD LYS B 29 19.288 4.025 -1.023 1.00 0.00 C ATOM 1602 CE LYS B 29 20.664 3.463 -1.345 1.00 0.00 C ATOM 1603 NZ LYS B 29 21.154 2.529 -0.297 1.00 0.00 N ATOM 0 H LYS B 29 17.574 4.506 2.735 1.00 0.00 H new ATOM 0 HA LYS B 29 18.789 6.920 1.869 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.158 4.770 0.494 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.759 6.171 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.084 5.558 0.256 1.00 0.00 H new ATOM 0 HG3 LYS B 29 19.481 4.154 1.113 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.571 3.207 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.958 4.665 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS B 29 20.626 2.943 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS B 29 21.372 4.284 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 22.064 2.121 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 21.281 3.046 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.461 1.766 -0.160 1.00 0.00 H new ATOM 1617 N ILE B 30 15.496 6.788 1.978 1.00 0.00 N ATOM 1618 CA ILE B 30 14.290 7.602 2.002 1.00 0.00 C ATOM 1619 C ILE B 30 14.336 8.574 3.180 1.00 0.00 C ATOM 1620 O ILE B 30 13.916 9.728 3.070 1.00 0.00 O ATOM 1621 CB ILE B 30 13.020 6.727 2.093 1.00 0.00 C ATOM 1622 CG1 ILE B 30 12.962 5.757 0.908 1.00 0.00 C ATOM 1623 CG2 ILE B 30 11.770 7.598 2.128 1.00 0.00 C ATOM 1624 CD1 ILE B 30 11.771 4.821 0.934 1.00 0.00 C ATOM 0 H ILE B 30 15.345 5.805 2.204 1.00 0.00 H new ATOM 0 HA ILE B 30 14.248 8.164 1.069 1.00 0.00 H new ATOM 0 HB ILE B 30 13.061 6.150 3.017 1.00 0.00 H new ATOM 0 HG12 ILE B 30 12.939 6.332 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE B 30 13.876 5.164 0.892 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.886 6.963 2.192 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.809 8.255 2.997 1.00 0.00 H new ATOM 0 HG23 ILE B 30 11.720 8.199 1.220 1.00 0.00 H new ATOM 0 HD11 ILE B 30 11.803 4.167 0.062 1.00 0.00 H new ATOM 0 HD12 ILE B 30 11.802 4.218 1.841 1.00 0.00 H new ATOM 0 HD13 ILE B 30 10.850 5.404 0.917 1.00 0.00 H new ATOM 1636 N GLN B 31 14.866 8.108 4.304 1.00 0.00 N ATOM 1637 CA GLN B 31 15.037 8.959 5.472 1.00 0.00 C ATOM 1638 C GLN B 31 16.105 10.016 5.208 1.00 0.00 C ATOM 1639 O GLN B 31 16.011 11.144 5.683 1.00 0.00 O ATOM 1640 CB GLN B 31 15.423 8.137 6.701 1.00 0.00 C ATOM 1641 CG GLN B 31 15.415 8.960 7.977 1.00 0.00 C ATOM 1642 CD GLN B 31 16.174 8.308 9.112 1.00 0.00 C ATOM 1643 OE1 GLN B 31 15.610 7.562 9.909 1.00 0.00 O ATOM 1644 NE2 GLN B 31 17.465 8.593 9.196 1.00 0.00 N ATOM 0 H GLN B 31 15.184 7.147 4.430 1.00 0.00 H new ATOM 0 HA GLN B 31 14.084 9.450 5.668 1.00 0.00 H new ATOM 0 HB2 GLN B 31 14.731 7.301 6.807 1.00 0.00 H new ATOM 0 HB3 GLN B 31 16.416 7.712 6.553 1.00 0.00 H new ATOM 0 HG2 GLN B 31 15.849 9.939 7.773 1.00 0.00 H new ATOM 0 HG3 GLN B 31 14.384 9.127 8.287 1.00 0.00 H new ATOM 0 HE21 GLN B 31 17.895 9.217 8.514 1.00 0.00 H new ATOM 0 HE22 GLN B 31 18.029 8.188 9.943 1.00 0.00 H new ATOM 1653 N ASP B 32 17.119 9.637 4.453 1.00 0.00 N ATOM 1654 CA ASP B 32 18.191 10.550 4.089 1.00 0.00 C ATOM 1655 C ASP B 32 17.666 11.660 3.191 1.00 0.00 C ATOM 1656 O ASP B 32 18.075 12.818 3.304 1.00 0.00 O ATOM 1657 CB ASP B 32 19.309 9.782 3.381 1.00 0.00 C ATOM 1658 CG ASP B 32 20.469 10.666 2.989 1.00 0.00 C ATOM 1659 OD1 ASP B 32 21.263 11.036 3.879 1.00 0.00 O ATOM 1660 OD2 ASP B 32 20.604 10.982 1.790 1.00 0.00 O ATOM 0 H ASP B 32 17.225 8.695 4.076 1.00 0.00 H new ATOM 0 HA ASP B 32 18.589 11.003 4.997 1.00 0.00 H new ATOM 0 HB2 ASP B 32 19.668 8.988 4.035 1.00 0.00 H new ATOM 0 HB3 ASP B 32 18.906 9.303 2.489 1.00 0.00 H new ATOM 1665 N LYS B 33 16.744 11.301 2.311 1.00 0.00 N ATOM 1666 CA LYS B 33 16.188 12.239 1.364 1.00 0.00 C ATOM 1667 C LYS B 33 15.051 13.061 1.978 1.00 0.00 C ATOM 1668 O LYS B 33 15.140 14.286 2.068 1.00 0.00 O ATOM 1669 CB LYS B 33 15.679 11.485 0.139 1.00 0.00 C ATOM 1670 CG LYS B 33 15.350 12.395 -1.022 1.00 0.00 C ATOM 1671 CD LYS B 33 14.704 11.638 -2.169 1.00 0.00 C ATOM 1672 CE LYS B 33 14.493 12.539 -3.375 1.00 0.00 C ATOM 1673 NZ LYS B 33 13.764 13.785 -3.021 1.00 0.00 N ATOM 0 H LYS B 33 16.366 10.356 2.238 1.00 0.00 H new ATOM 0 HA LYS B 33 16.977 12.932 1.074 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.433 10.763 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.789 10.918 0.412 1.00 0.00 H new ATOM 0 HG2 LYS B 33 14.679 13.185 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.261 12.879 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS B 33 15.332 10.793 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS B 33 13.747 11.230 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS B 33 15.459 12.796 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS B 33 13.935 11.997 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 13.209 14.107 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 13.126 13.598 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 14.447 14.523 -2.754 1.00 0.00 H new ATOM 1687 N GLU B 34 13.988 12.384 2.404 1.00 0.00 N ATOM 1688 CA GLU B 34 12.783 13.069 2.862 1.00 0.00 C ATOM 1689 C GLU B 34 12.725 13.176 4.384 1.00 0.00 C ATOM 1690 O GLU B 34 12.153 14.124 4.919 1.00 0.00 O ATOM 1691 CB GLU B 34 11.534 12.352 2.343 1.00 0.00 C ATOM 1692 CG GLU B 34 11.484 12.216 0.826 1.00 0.00 C ATOM 1693 CD GLU B 34 11.598 13.546 0.100 1.00 0.00 C ATOM 1694 OE1 GLU B 34 11.350 14.602 0.721 1.00 0.00 O ATOM 1695 OE2 GLU B 34 11.946 13.542 -1.099 1.00 0.00 O ATOM 0 H GLU B 34 13.936 11.366 2.442 1.00 0.00 H new ATOM 0 HA GLU B 34 12.816 14.082 2.460 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.486 11.358 2.789 1.00 0.00 H new ATOM 0 HB3 GLU B 34 10.650 12.895 2.678 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.292 11.561 0.500 1.00 0.00 H new ATOM 0 HG3 GLU B 34 10.549 11.734 0.542 1.00 0.00 H new ATOM 1702 N GLY B 35 13.312 12.212 5.077 1.00 0.00 N ATOM 1703 CA GLY B 35 13.313 12.248 6.530 1.00 0.00 C ATOM 1704 C GLY B 35 12.160 11.473 7.131 1.00 0.00 C ATOM 1705 O GLY B 35 11.437 11.980 7.985 1.00 0.00 O ATOM 0 H GLY B 35 13.786 11.408 4.665 1.00 0.00 H new ATOM 0 HA2 GLY B 35 14.253 11.839 6.899 1.00 0.00 H new ATOM 0 HA3 GLY B 35 13.263 13.284 6.864 1.00 0.00 H new ATOM 1709 N ILE B 36 11.983 10.243 6.677 1.00 0.00 N ATOM 1710 CA ILE B 36 10.922 9.384 7.177 1.00 0.00 C ATOM 1711 C ILE B 36 11.501 8.265 8.043 1.00 0.00 C ATOM 1712 O ILE B 36 12.404 7.550 7.611 1.00 0.00 O ATOM 1713 CB ILE B 36 10.129 8.768 6.009 1.00 0.00 C ATOM 1714 CG1 ILE B 36 9.607 9.873 5.085 1.00 0.00 C ATOM 1715 CG2 ILE B 36 8.977 7.918 6.529 1.00 0.00 C ATOM 1716 CD1 ILE B 36 8.875 9.356 3.865 1.00 0.00 C ATOM 0 H ILE B 36 12.565 9.815 5.958 1.00 0.00 H new ATOM 0 HA ILE B 36 10.252 9.995 7.782 1.00 0.00 H new ATOM 0 HB ILE B 36 10.797 8.122 5.439 1.00 0.00 H new ATOM 0 HG12 ILE B 36 8.938 10.521 5.651 1.00 0.00 H new ATOM 0 HG13 ILE B 36 10.446 10.488 4.760 1.00 0.00 H new ATOM 0 HG21 ILE B 36 8.430 7.492 5.688 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.370 7.113 7.150 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.305 8.539 7.122 1.00 0.00 H new ATOM 0 HD11 ILE B 36 8.536 10.197 3.260 1.00 0.00 H new ATOM 0 HD12 ILE B 36 9.547 8.732 3.275 1.00 0.00 H new ATOM 0 HD13 ILE B 36 8.015 8.766 4.180 1.00 0.00 H new ATOM 1728 N PRO B 37 10.996 8.110 9.278 1.00 0.00 N ATOM 1729 CA PRO B 37 11.469 7.077 10.210 1.00 0.00 C ATOM 1730 C PRO B 37 11.301 5.662 9.653 1.00 0.00 C ATOM 1731 O PRO B 37 10.231 5.301 9.163 1.00 0.00 O ATOM 1732 CB PRO B 37 10.582 7.265 11.445 1.00 0.00 C ATOM 1733 CG PRO B 37 10.056 8.652 11.340 1.00 0.00 C ATOM 1734 CD PRO B 37 9.932 8.935 9.871 1.00 0.00 C ATOM 0 HA PRO B 37 12.535 7.182 10.413 1.00 0.00 H new ATOM 0 HB2 PRO B 37 9.771 6.537 11.462 1.00 0.00 H new ATOM 0 HB3 PRO B 37 11.152 7.129 12.364 1.00 0.00 H new ATOM 0 HG2 PRO B 37 9.091 8.742 11.838 1.00 0.00 H new ATOM 0 HG3 PRO B 37 10.730 9.362 11.819 1.00 0.00 H new ATOM 0 HD2 PRO B 37 8.949 8.659 9.490 1.00 0.00 H new ATOM 0 HD3 PRO B 37 10.074 9.993 9.652 1.00 0.00 H new ATOM 1742 N PRO B 38 12.360 4.840 9.727 1.00 0.00 N ATOM 1743 CA PRO B 38 12.344 3.460 9.220 1.00 0.00 C ATOM 1744 C PRO B 38 11.309 2.581 9.929 1.00 0.00 C ATOM 1745 O PRO B 38 10.751 1.657 9.328 1.00 0.00 O ATOM 1746 CB PRO B 38 13.769 2.956 9.500 1.00 0.00 C ATOM 1747 CG PRO B 38 14.586 4.191 9.658 1.00 0.00 C ATOM 1748 CD PRO B 38 13.671 5.195 10.294 1.00 0.00 C ATOM 0 HA PRO B 38 12.065 3.421 8.167 1.00 0.00 H new ATOM 0 HB2 PRO B 38 13.802 2.342 10.400 1.00 0.00 H new ATOM 0 HB3 PRO B 38 14.139 2.340 8.681 1.00 0.00 H new ATOM 0 HG2 PRO B 38 15.461 4.006 10.282 1.00 0.00 H new ATOM 0 HG3 PRO B 38 14.951 4.547 8.694 1.00 0.00 H new ATOM 0 HD2 PRO B 38 13.677 5.117 11.381 1.00 0.00 H new ATOM 0 HD3 PRO B 38 13.956 6.217 10.046 1.00 0.00 H new ATOM 1756 N ASP B 39 11.053 2.876 11.202 1.00 0.00 N ATOM 1757 CA ASP B 39 10.041 2.156 11.981 1.00 0.00 C ATOM 1758 C ASP B 39 8.662 2.383 11.386 1.00 0.00 C ATOM 1759 O ASP B 39 7.811 1.494 11.380 1.00 0.00 O ATOM 1760 CB ASP B 39 10.025 2.645 13.433 1.00 0.00 C ATOM 1761 CG ASP B 39 11.375 2.566 14.105 1.00 0.00 C ATOM 1762 OD1 ASP B 39 12.249 3.394 13.784 1.00 0.00 O ATOM 1763 OD2 ASP B 39 11.563 1.694 14.977 1.00 0.00 O ATOM 0 H ASP B 39 11.534 3.612 11.720 1.00 0.00 H new ATOM 0 HA ASP B 39 10.293 1.096 11.954 1.00 0.00 H new ATOM 0 HB2 ASP B 39 9.674 3.677 13.458 1.00 0.00 H new ATOM 0 HB3 ASP B 39 9.309 2.051 14.001 1.00 0.00 H new ATOM 1768 N GLN B 40 8.472 3.583 10.865 1.00 0.00 N ATOM 1769 CA GLN B 40 7.184 4.029 10.354 1.00 0.00 C ATOM 1770 C GLN B 40 7.003 3.597 8.898 1.00 0.00 C ATOM 1771 O GLN B 40 5.946 3.790 8.302 1.00 0.00 O ATOM 1772 CB GLN B 40 7.121 5.556 10.467 1.00 0.00 C ATOM 1773 CG GLN B 40 5.807 6.175 10.027 1.00 0.00 C ATOM 1774 CD GLN B 40 5.926 7.670 9.838 1.00 0.00 C ATOM 1775 OE1 GLN B 40 6.315 8.070 8.643 1.00 0.00 O flip ATOM 1776 NE2 GLN B 40 5.692 8.450 10.758 1.00 0.00 N flip ATOM 0 H GLN B 40 9.211 4.281 10.783 1.00 0.00 H new ATOM 0 HA GLN B 40 6.381 3.578 10.937 1.00 0.00 H new ATOM 0 HB2 GLN B 40 7.310 5.837 11.503 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.926 5.984 9.869 1.00 0.00 H new ATOM 0 HG2 GLN B 40 5.483 5.715 9.093 1.00 0.00 H new ATOM 0 HG3 GLN B 40 5.038 5.963 10.770 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.393 8.093 11.666 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.796 9.454 10.614 1.00 0.00 H new ATOM 1785 N GLN B 41 8.034 2.993 8.333 1.00 0.00 N ATOM 1786 CA GLN B 41 8.030 2.648 6.918 1.00 0.00 C ATOM 1787 C GLN B 41 7.744 1.169 6.679 1.00 0.00 C ATOM 1788 O GLN B 41 8.516 0.304 7.099 1.00 0.00 O ATOM 1789 CB GLN B 41 9.374 3.012 6.282 1.00 0.00 C ATOM 1790 CG GLN B 41 9.566 4.499 6.045 1.00 0.00 C ATOM 1791 CD GLN B 41 10.864 4.811 5.326 1.00 0.00 C ATOM 1792 OE1 GLN B 41 10.917 4.814 4.101 1.00 0.00 O ATOM 1793 NE2 GLN B 41 11.913 5.095 6.080 1.00 0.00 N ATOM 0 H GLN B 41 8.885 2.731 8.830 1.00 0.00 H new ATOM 0 HA GLN B 41 7.227 3.222 6.455 1.00 0.00 H new ATOM 0 HB2 GLN B 41 10.177 2.651 6.924 1.00 0.00 H new ATOM 0 HB3 GLN B 41 9.467 2.489 5.330 1.00 0.00 H new ATOM 0 HG2 GLN B 41 8.730 4.881 5.460 1.00 0.00 H new ATOM 0 HG3 GLN B 41 9.550 5.021 7.002 1.00 0.00 H new ATOM 0 HE21 GLN B 41 11.829 5.082 7.096 1.00 0.00 H new ATOM 0 HE22 GLN B 41 12.806 5.327 5.645 1.00 0.00 H new ATOM 1802 N ARG B 42 6.631 0.881 6.012 1.00 0.00 N ATOM 1803 CA ARG B 42 6.390 -0.449 5.468 1.00 0.00 C ATOM 1804 C ARG B 42 6.206 -0.352 3.962 1.00 0.00 C ATOM 1805 O ARG B 42 5.269 0.286 3.479 1.00 0.00 O ATOM 1806 CB ARG B 42 5.174 -1.133 6.107 1.00 0.00 C ATOM 1807 CG ARG B 42 5.429 -1.639 7.518 1.00 0.00 C ATOM 1808 CD ARG B 42 4.570 -2.855 7.849 1.00 0.00 C ATOM 1809 NE ARG B 42 3.140 -2.541 7.894 1.00 0.00 N ATOM 1810 CZ ARG B 42 2.170 -3.451 7.750 1.00 0.00 C ATOM 1811 NH1 ARG B 42 2.460 -4.722 7.506 1.00 0.00 N ATOM 1812 NH2 ARG B 42 0.899 -3.093 7.851 1.00 0.00 N ATOM 0 H ARG B 42 5.882 1.551 5.836 1.00 0.00 H new ATOM 0 HA ARG B 42 7.258 -1.065 5.701 1.00 0.00 H new ATOM 0 HB2 ARG B 42 4.342 -0.429 6.128 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.868 -1.970 5.480 1.00 0.00 H new ATOM 0 HG2 ARG B 42 6.482 -1.898 7.626 1.00 0.00 H new ATOM 0 HG3 ARG B 42 5.222 -0.842 8.233 1.00 0.00 H new ATOM 0 HD2 ARG B 42 4.744 -3.631 7.104 1.00 0.00 H new ATOM 0 HD3 ARG B 42 4.879 -3.262 8.812 1.00 0.00 H new ATOM 0 HE ARG B 42 2.867 -1.570 8.044 1.00 0.00 H new ATOM 0 HH11 ARG B 42 3.433 -5.017 7.426 1.00 0.00 H new ATOM 0 HH12 ARG B 42 1.710 -5.405 7.399 1.00 0.00 H new ATOM 0 HH21 ARG B 42 0.657 -2.120 8.039 1.00 0.00 H new ATOM 0 HH22 ARG B 42 0.163 -3.790 7.741 1.00 0.00 H new ATOM 1826 N LEU B 43 7.119 -0.965 3.225 1.00 0.00 N ATOM 1827 CA LEU B 43 7.079 -0.929 1.771 1.00 0.00 C ATOM 1828 C LEU B 43 6.311 -2.130 1.246 1.00 0.00 C ATOM 1829 O LEU B 43 6.503 -3.242 1.721 1.00 0.00 O ATOM 1830 CB LEU B 43 8.501 -0.936 1.180 1.00 0.00 C ATOM 1831 CG LEU B 43 9.342 0.334 1.387 1.00 0.00 C ATOM 1832 CD1 LEU B 43 8.583 1.562 0.913 1.00 0.00 C ATOM 1833 CD2 LEU B 43 9.774 0.488 2.840 1.00 0.00 C ATOM 0 H LEU B 43 7.900 -1.495 3.612 1.00 0.00 H new ATOM 0 HA LEU B 43 6.579 -0.009 1.468 1.00 0.00 H new ATOM 0 HB2 LEU B 43 9.044 -1.777 1.611 1.00 0.00 H new ATOM 0 HB3 LEU B 43 8.423 -1.121 0.109 1.00 0.00 H new ATOM 0 HG LEU B 43 10.246 0.236 0.786 1.00 0.00 H new ATOM 0 HD11 LEU B 43 9.195 2.450 1.068 1.00 0.00 H new ATOM 0 HD12 LEU B 43 8.353 1.461 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU B 43 7.656 1.657 1.478 1.00 0.00 H new ATOM 0 HD21 LEU B 43 10.367 1.396 2.949 1.00 0.00 H new ATOM 0 HD22 LEU B 43 8.892 0.551 3.477 1.00 0.00 H new ATOM 0 HD23 LEU B 43 10.373 -0.374 3.135 1.00 0.00 H new ATOM 1845 N ILE B 44 5.426 -1.909 0.290 1.00 0.00 N ATOM 1846 CA ILE B 44 4.717 -3.013 -0.339 1.00 0.00 C ATOM 1847 C ILE B 44 5.107 -3.115 -1.804 1.00 0.00 C ATOM 1848 O ILE B 44 5.020 -2.136 -2.554 1.00 0.00 O ATOM 1849 CB ILE B 44 3.173 -2.896 -0.230 1.00 0.00 C ATOM 1850 CG1 ILE B 44 2.709 -2.930 1.234 1.00 0.00 C ATOM 1851 CG2 ILE B 44 2.500 -4.018 -1.013 1.00 0.00 C ATOM 1852 CD1 ILE B 44 2.917 -1.630 1.978 1.00 0.00 C ATOM 0 H ILE B 44 5.182 -0.985 -0.066 1.00 0.00 H new ATOM 0 HA ILE B 44 5.011 -3.912 0.202 1.00 0.00 H new ATOM 0 HB ILE B 44 2.883 -1.935 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE B 44 1.650 -3.187 1.262 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.244 -3.724 1.755 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.418 -3.923 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.788 -3.953 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.813 -4.981 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE B 44 2.564 -1.737 3.004 1.00 0.00 H new ATOM 0 HD12 ILE B 44 3.978 -1.380 1.984 1.00 0.00 H new ATOM 0 HD13 ILE B 44 2.359 -0.835 1.484 1.00 0.00 H new ATOM 1864 N PHE B 45 5.563 -4.296 -2.191 1.00 0.00 N ATOM 1865 CA PHE B 45 5.915 -4.574 -3.571 1.00 0.00 C ATOM 1866 C PHE B 45 5.159 -5.801 -4.074 1.00 0.00 C ATOM 1867 O PHE B 45 5.505 -6.930 -3.728 1.00 0.00 O ATOM 1868 CB PHE B 45 7.429 -4.789 -3.696 1.00 0.00 C ATOM 1869 CG PHE B 45 7.864 -5.305 -5.040 1.00 0.00 C ATOM 1870 CD1 PHE B 45 7.754 -4.518 -6.172 1.00 0.00 C ATOM 1871 CD2 PHE B 45 8.371 -6.589 -5.169 1.00 0.00 C ATOM 1872 CE1 PHE B 45 8.145 -4.999 -7.408 1.00 0.00 C ATOM 1873 CE2 PHE B 45 8.761 -7.075 -6.401 1.00 0.00 C ATOM 1874 CZ PHE B 45 8.648 -6.280 -7.521 1.00 0.00 C ATOM 0 H PHE B 45 5.698 -5.085 -1.559 1.00 0.00 H new ATOM 0 HA PHE B 45 5.632 -3.719 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE B 45 7.937 -3.845 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.751 -5.491 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE B 45 7.358 -3.517 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE B 45 8.462 -7.217 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.057 -4.373 -8.284 1.00 0.00 H new ATOM 0 HE2 PHE B 45 9.154 -8.077 -6.487 1.00 0.00 H new ATOM 0 HZ PHE B 45 8.952 -6.658 -8.486 1.00 0.00 H new ATOM 1884 N ALA B 46 4.106 -5.565 -4.858 1.00 0.00 N ATOM 1885 CA ALA B 46 3.317 -6.645 -5.465 1.00 0.00 C ATOM 1886 C ALA B 46 2.820 -7.657 -4.428 1.00 0.00 C ATOM 1887 O ALA B 46 2.713 -8.854 -4.709 1.00 0.00 O ATOM 1888 CB ALA B 46 4.140 -7.343 -6.539 1.00 0.00 C ATOM 0 H ALA B 46 3.776 -4.628 -5.091 1.00 0.00 H new ATOM 0 HA ALA B 46 2.433 -6.195 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA B 46 3.551 -8.143 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.418 -6.624 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.041 -7.763 -6.092 1.00 0.00 H new ATOM 1894 N GLY B 47 2.509 -7.176 -3.231 1.00 0.00 N ATOM 1895 CA GLY B 47 1.998 -8.049 -2.193 1.00 0.00 C ATOM 1896 C GLY B 47 3.061 -8.434 -1.186 1.00 0.00 C ATOM 1897 O GLY B 47 2.767 -9.052 -0.164 1.00 0.00 O ATOM 0 H GLY B 47 2.602 -6.197 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.176 -7.553 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.590 -8.951 -2.649 1.00 0.00 H new ATOM 1901 N LYS B 48 4.300 -8.084 -1.481 1.00 0.00 N ATOM 1902 CA LYS B 48 5.401 -8.354 -0.572 1.00 0.00 C ATOM 1903 C LYS B 48 5.587 -7.188 0.384 1.00 0.00 C ATOM 1904 O LYS B 48 5.971 -6.094 -0.032 1.00 0.00 O ATOM 1905 CB LYS B 48 6.701 -8.583 -1.347 1.00 0.00 C ATOM 1906 CG LYS B 48 6.626 -9.702 -2.369 1.00 0.00 C ATOM 1907 CD LYS B 48 7.913 -9.799 -3.168 1.00 0.00 C ATOM 1908 CE LYS B 48 7.820 -10.860 -4.251 1.00 0.00 C ATOM 1909 NZ LYS B 48 7.609 -12.220 -3.686 1.00 0.00 N ATOM 0 H LYS B 48 4.570 -7.612 -2.344 1.00 0.00 H new ATOM 0 HA LYS B 48 5.161 -9.255 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.975 -7.659 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.499 -8.806 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.436 -10.649 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.788 -9.527 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS B 48 8.134 -8.833 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS B 48 8.741 -10.033 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.999 -10.617 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS B 48 8.734 -10.852 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 7.687 -12.927 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 8.329 -12.410 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.663 -12.275 -3.257 1.00 0.00 H new ATOM 1923 N GLN B 49 5.290 -7.415 1.654 1.00 0.00 N ATOM 1924 CA GLN B 49 5.543 -6.413 2.676 1.00 0.00 C ATOM 1925 C GLN B 49 7.012 -6.452 3.062 1.00 0.00 C ATOM 1926 O GLN B 49 7.493 -7.427 3.636 1.00 0.00 O ATOM 1927 CB GLN B 49 4.651 -6.630 3.906 1.00 0.00 C ATOM 1928 CG GLN B 49 3.175 -6.339 3.656 1.00 0.00 C ATOM 1929 CD GLN B 49 2.488 -7.398 2.810 1.00 0.00 C ATOM 1930 OE1 GLN B 49 2.897 -8.648 2.975 1.00 0.00 O flip ATOM 1931 NE2 GLN B 49 1.583 -7.099 2.034 1.00 0.00 N flip ATOM 0 H GLN B 49 4.875 -8.280 2.000 1.00 0.00 H new ATOM 0 HA GLN B 49 5.300 -5.430 2.272 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.756 -7.662 4.242 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.005 -5.993 4.717 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.660 -6.259 4.614 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.081 -5.372 3.162 1.00 0.00 H new ATOM 0 HE21 GLN B 49 1.297 -6.125 1.935 1.00 0.00 H new ATOM 0 HE22 GLN B 49 1.118 -7.825 1.489 1.00 0.00 H new ATOM 1940 N LEU B 50 7.715 -5.389 2.726 1.00 0.00 N ATOM 1941 CA LEU B 50 9.155 -5.330 2.883 1.00 0.00 C ATOM 1942 C LEU B 50 9.525 -4.727 4.227 1.00 0.00 C ATOM 1943 O LEU B 50 9.171 -3.580 4.523 1.00 0.00 O ATOM 1944 CB LEU B 50 9.764 -4.481 1.763 1.00 0.00 C ATOM 1945 CG LEU B 50 9.226 -4.764 0.357 1.00 0.00 C ATOM 1946 CD1 LEU B 50 9.854 -3.820 -0.651 1.00 0.00 C ATOM 1947 CD2 LEU B 50 9.482 -6.207 -0.040 1.00 0.00 C ATOM 0 H LEU B 50 7.304 -4.541 2.336 1.00 0.00 H new ATOM 0 HA LEU B 50 9.548 -6.346 2.832 1.00 0.00 H new ATOM 0 HB2 LEU B 50 9.594 -3.429 1.994 1.00 0.00 H new ATOM 0 HB3 LEU B 50 10.843 -4.636 1.759 1.00 0.00 H new ATOM 0 HG LEU B 50 8.149 -4.599 0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 50 9.461 -4.035 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU B 50 9.618 -2.791 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU B 50 10.936 -3.956 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 50 9.091 -6.384 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU B 50 10.554 -6.403 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU B 50 8.985 -6.872 0.666 1.00 0.00 H new ATOM 1959 N GLU B 51 10.233 -5.493 5.039 1.00 0.00 N ATOM 1960 CA GLU B 51 10.722 -4.991 6.308 1.00 0.00 C ATOM 1961 C GLU B 51 12.242 -5.004 6.334 1.00 0.00 C ATOM 1962 O GLU B 51 12.888 -5.670 5.526 1.00 0.00 O ATOM 1963 CB GLU B 51 10.171 -5.803 7.484 1.00 0.00 C ATOM 1964 CG GLU B 51 8.667 -5.674 7.668 1.00 0.00 C ATOM 1965 CD GLU B 51 8.204 -6.177 9.020 1.00 0.00 C ATOM 1966 OE1 GLU B 51 8.084 -7.409 9.197 1.00 0.00 O ATOM 1967 OE2 GLU B 51 7.967 -5.341 9.919 1.00 0.00 O ATOM 0 H GLU B 51 10.481 -6.463 4.841 1.00 0.00 H new ATOM 0 HA GLU B 51 10.371 -3.964 6.413 1.00 0.00 H new ATOM 0 HB2 GLU B 51 10.421 -6.854 7.337 1.00 0.00 H new ATOM 0 HB3 GLU B 51 10.668 -5.483 8.399 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.378 -4.629 7.554 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.159 -6.233 6.882 1.00 0.00 H new ATOM 1974 N ASP B 52 12.802 -4.252 7.266 1.00 0.00 N ATOM 1975 CA ASP B 52 14.246 -4.147 7.417 1.00 0.00 C ATOM 1976 C ASP B 52 14.843 -5.477 7.859 1.00 0.00 C ATOM 1977 O ASP B 52 14.138 -6.351 8.368 1.00 0.00 O ATOM 1978 CB ASP B 52 14.584 -3.047 8.422 1.00 0.00 C ATOM 1979 CG ASP B 52 13.650 -3.062 9.610 1.00 0.00 C ATOM 1980 OD1 ASP B 52 12.566 -2.440 9.509 1.00 0.00 O ATOM 1981 OD2 ASP B 52 13.973 -3.713 10.624 1.00 0.00 O ATOM 0 H ASP B 52 12.272 -3.698 7.938 1.00 0.00 H new ATOM 0 HA ASP B 52 14.680 -3.889 6.451 1.00 0.00 H new ATOM 0 HB2 ASP B 52 15.611 -3.173 8.766 1.00 0.00 H new ATOM 0 HB3 ASP B 52 14.529 -2.076 7.930 1.00 0.00 H new ATOM 1986 N GLY B 53 16.141 -5.619 7.663 1.00 0.00 N ATOM 1987 CA GLY B 53 16.802 -6.877 7.939 1.00 0.00 C ATOM 1988 C GLY B 53 17.117 -7.633 6.668 1.00 0.00 C ATOM 1989 O GLY B 53 18.167 -8.266 6.551 1.00 0.00 O ATOM 0 H GLY B 53 16.754 -4.882 7.315 1.00 0.00 H new ATOM 0 HA2 GLY B 53 17.724 -6.691 8.490 1.00 0.00 H new ATOM 0 HA3 GLY B 53 16.167 -7.489 8.579 1.00 0.00 H new ATOM 1993 N ARG B 54 16.209 -7.553 5.707 1.00 0.00 N ATOM 1994 CA ARG B 54 16.370 -8.243 4.436 1.00 0.00 C ATOM 1995 C ARG B 54 16.820 -7.278 3.345 1.00 0.00 C ATOM 1996 O ARG B 54 16.860 -6.066 3.554 1.00 0.00 O ATOM 1997 CB ARG B 54 15.052 -8.909 4.039 1.00 0.00 C ATOM 1998 CG ARG B 54 14.623 -10.008 4.994 1.00 0.00 C ATOM 1999 CD ARG B 54 15.631 -11.142 5.003 1.00 0.00 C ATOM 2000 NE ARG B 54 15.352 -12.130 6.038 1.00 0.00 N ATOM 2001 CZ ARG B 54 15.490 -13.440 5.865 1.00 0.00 C ATOM 2002 NH1 ARG B 54 15.789 -13.926 4.662 1.00 0.00 N ATOM 2003 NH2 ARG B 54 15.310 -14.267 6.885 1.00 0.00 N ATOM 0 H ARG B 54 15.347 -7.013 5.785 1.00 0.00 H new ATOM 0 HA ARG B 54 17.140 -9.006 4.552 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.270 -8.151 3.993 1.00 0.00 H new ATOM 0 HB3 ARG B 54 15.151 -9.326 3.037 1.00 0.00 H new ATOM 0 HG2 ARG B 54 14.519 -9.601 6.000 1.00 0.00 H new ATOM 0 HG3 ARG B 54 13.644 -10.388 4.701 1.00 0.00 H new ATOM 0 HD2 ARG B 54 15.631 -11.631 4.029 1.00 0.00 H new ATOM 0 HD3 ARG B 54 16.630 -10.734 5.155 1.00 0.00 H new ATOM 0 HE ARG B 54 15.032 -11.796 6.947 1.00 0.00 H new ATOM 0 HH11 ARG B 54 15.912 -13.292 3.872 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.895 -14.932 4.530 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.065 -13.898 7.804 1.00 0.00 H new ATOM 0 HH22 ARG B 54 15.416 -15.273 6.751 1.00 0.00 H new ATOM 2017 N THR B 55 17.168 -7.823 2.187 1.00 0.00 N ATOM 2018 CA THR B 55 17.591 -7.019 1.048 1.00 0.00 C ATOM 2019 C THR B 55 16.506 -6.986 -0.023 1.00 0.00 C ATOM 2020 O THR B 55 15.502 -7.691 0.079 1.00 0.00 O ATOM 2021 CB THR B 55 18.885 -7.581 0.423 1.00 0.00 C ATOM 2022 OG1 THR B 55 18.687 -8.952 0.053 1.00 0.00 O ATOM 2023 CG2 THR B 55 20.053 -7.481 1.391 1.00 0.00 C ATOM 0 H THR B 55 17.165 -8.828 2.011 1.00 0.00 H new ATOM 0 HA THR B 55 17.775 -6.009 1.416 1.00 0.00 H new ATOM 0 HB THR B 55 19.120 -6.988 -0.461 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.510 -9.305 -0.345 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.950 -7.885 0.922 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.220 -6.436 1.653 1.00 0.00 H new ATOM 0 HG23 THR B 55 19.828 -8.050 2.293 1.00 0.00 H new ATOM 2031 N LEU B 56 16.711 -6.167 -1.045 1.00 0.00 N ATOM 2032 CA LEU B 56 15.809 -6.127 -2.189 1.00 0.00 C ATOM 2033 C LEU B 56 15.914 -7.427 -2.984 1.00 0.00 C ATOM 2034 O LEU B 56 14.940 -7.899 -3.568 1.00 0.00 O ATOM 2035 CB LEU B 56 16.150 -4.934 -3.084 1.00 0.00 C ATOM 2036 CG LEU B 56 16.053 -3.564 -2.407 1.00 0.00 C ATOM 2037 CD1 LEU B 56 16.589 -2.483 -3.323 1.00 0.00 C ATOM 2038 CD2 LEU B 56 14.617 -3.256 -2.021 1.00 0.00 C ATOM 0 H LEU B 56 17.496 -5.519 -1.106 1.00 0.00 H new ATOM 0 HA LEU B 56 14.786 -6.016 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU B 56 17.163 -5.063 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.483 -4.944 -3.946 1.00 0.00 H new ATOM 0 HG LEU B 56 16.658 -3.589 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.513 -1.515 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU B 56 17.633 -2.690 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU B 56 16.007 -2.465 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU B 56 14.571 -2.278 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU B 56 13.993 -3.252 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU B 56 14.255 -4.017 -1.329 1.00 0.00 H new ATOM 2050 N SER B 57 17.107 -8.007 -2.977 1.00 0.00 N ATOM 2051 CA SER B 57 17.367 -9.265 -3.662 1.00 0.00 C ATOM 2052 C SER B 57 16.645 -10.416 -2.962 1.00 0.00 C ATOM 2053 O SER B 57 16.256 -11.400 -3.594 1.00 0.00 O ATOM 2054 CB SER B 57 18.878 -9.519 -3.705 1.00 0.00 C ATOM 2055 OG SER B 57 19.191 -10.722 -4.384 1.00 0.00 O ATOM 0 H SER B 57 17.919 -7.619 -2.497 1.00 0.00 H new ATOM 0 HA SER B 57 16.988 -9.203 -4.682 1.00 0.00 H new ATOM 0 HB2 SER B 57 19.373 -8.683 -4.200 1.00 0.00 H new ATOM 0 HB3 SER B 57 19.268 -9.564 -2.688 1.00 0.00 H new ATOM 0 HG SER B 57 20.163 -10.850 -4.393 1.00 0.00 H new ATOM 2061 N ASP B 58 16.447 -10.271 -1.655 1.00 0.00 N ATOM 2062 CA ASP B 58 15.784 -11.295 -0.849 1.00 0.00 C ATOM 2063 C ASP B 58 14.355 -11.506 -1.329 1.00 0.00 C ATOM 2064 O ASP B 58 13.916 -12.637 -1.533 1.00 0.00 O ATOM 2065 CB ASP B 58 15.773 -10.876 0.623 1.00 0.00 C ATOM 2066 CG ASP B 58 15.457 -12.018 1.572 1.00 0.00 C ATOM 2067 OD1 ASP B 58 14.306 -12.500 1.577 1.00 0.00 O ATOM 2068 OD2 ASP B 58 16.367 -12.428 2.328 1.00 0.00 O ATOM 0 H ASP B 58 16.738 -9.448 -1.127 1.00 0.00 H new ATOM 0 HA ASP B 58 16.335 -12.229 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP B 58 16.746 -10.457 0.881 1.00 0.00 H new ATOM 0 HB3 ASP B 58 15.038 -10.084 0.762 1.00 0.00 H new ATOM 2073 N TYR B 59 13.648 -10.404 -1.536 1.00 0.00 N ATOM 2074 CA TYR B 59 12.256 -10.454 -1.967 1.00 0.00 C ATOM 2075 C TYR B 59 12.153 -10.582 -3.486 1.00 0.00 C ATOM 2076 O TYR B 59 11.051 -10.643 -4.031 1.00 0.00 O ATOM 2077 CB TYR B 59 11.506 -9.202 -1.510 1.00 0.00 C ATOM 2078 CG TYR B 59 11.436 -9.023 -0.008 1.00 0.00 C ATOM 2079 CD1 TYR B 59 10.424 -9.619 0.738 1.00 0.00 C ATOM 2080 CD2 TYR B 59 12.370 -8.241 0.661 1.00 0.00 C ATOM 2081 CE1 TYR B 59 10.344 -9.437 2.105 1.00 0.00 C ATOM 2082 CE2 TYR B 59 12.299 -8.058 2.028 1.00 0.00 C ATOM 2083 CZ TYR B 59 11.285 -8.658 2.746 1.00 0.00 C ATOM 2084 OH TYR B 59 11.208 -8.472 4.108 1.00 0.00 O ATOM 0 H TYR B 59 14.016 -9.461 -1.412 1.00 0.00 H new ATOM 0 HA TYR B 59 11.802 -11.333 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR B 59 11.988 -8.326 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR B 59 10.491 -9.237 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR B 59 9.689 -10.234 0.240 1.00 0.00 H new ATOM 0 HD2 TYR B 59 13.165 -7.769 0.103 1.00 0.00 H new ATOM 0 HE1 TYR B 59 9.549 -9.902 2.669 1.00 0.00 H new ATOM 0 HE2 TYR B 59 13.034 -7.448 2.533 1.00 0.00 H new ATOM 0 HH TYR B 59 11.946 -7.899 4.402 1.00 0.00 H new ATOM 2094 N ASN B 60 13.309 -10.629 -4.152 1.00 0.00 N ATOM 2095 CA ASN B 60 13.380 -10.718 -5.613 1.00 0.00 C ATOM 2096 C ASN B 60 12.765 -9.481 -6.262 1.00 0.00 C ATOM 2097 O ASN B 60 11.817 -9.577 -7.041 1.00 0.00 O ATOM 2098 CB ASN B 60 12.688 -11.987 -6.135 1.00 0.00 C ATOM 2099 CG ASN B 60 13.383 -13.261 -5.693 1.00 0.00 C ATOM 2100 OD1 ASN B 60 13.084 -13.811 -4.630 1.00 0.00 O ATOM 2101 ND2 ASN B 60 14.298 -13.757 -6.512 1.00 0.00 N ATOM 0 H ASN B 60 14.221 -10.607 -3.695 1.00 0.00 H new ATOM 0 HA ASN B 60 14.434 -10.771 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN B 60 11.656 -12.002 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN B 60 12.656 -11.956 -7.224 1.00 0.00 H new ATOM 0 HD21 ASN B 60 14.782 -14.622 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN B 60 14.519 -13.274 -7.383 1.00 0.00 H new ATOM 2108 N ILE B 61 13.304 -8.317 -5.922 1.00 0.00 N ATOM 2109 CA ILE B 61 12.821 -7.060 -6.475 1.00 0.00 C ATOM 2110 C ILE B 61 13.671 -6.642 -7.672 1.00 0.00 C ATOM 2111 O ILE B 61 14.902 -6.614 -7.596 1.00 0.00 O ATOM 2112 CB ILE B 61 12.825 -5.942 -5.409 1.00 0.00 C ATOM 2113 CG1 ILE B 61 11.959 -6.360 -4.215 1.00 0.00 C ATOM 2114 CG2 ILE B 61 12.323 -4.630 -6.001 1.00 0.00 C ATOM 2115 CD1 ILE B 61 11.953 -5.360 -3.081 1.00 0.00 C ATOM 0 H ILE B 61 14.077 -8.218 -5.264 1.00 0.00 H new ATOM 0 HA ILE B 61 11.794 -7.215 -6.804 1.00 0.00 H new ATOM 0 HB ILE B 61 13.848 -5.787 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE B 61 10.935 -6.512 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.315 -7.319 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 61 12.334 -3.857 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE B 61 12.970 -4.332 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE B 61 11.305 -4.762 -6.368 1.00 0.00 H new ATOM 0 HD11 ILE B 61 11.318 -5.728 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE B 61 12.969 -5.225 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE B 61 11.568 -4.406 -3.440 1.00 0.00 H new ATOM 2127 N GLN B 62 13.002 -6.329 -8.773 1.00 0.00 N ATOM 2128 CA GLN B 62 13.671 -5.994 -10.024 1.00 0.00 C ATOM 2129 C GLN B 62 13.876 -4.487 -10.140 1.00 0.00 C ATOM 2130 O GLN B 62 13.657 -3.742 -9.183 1.00 0.00 O ATOM 2131 CB GLN B 62 12.842 -6.490 -11.219 1.00 0.00 C ATOM 2132 CG GLN B 62 12.939 -7.988 -11.501 1.00 0.00 C ATOM 2133 CD GLN B 62 12.710 -8.856 -10.279 1.00 0.00 C ATOM 2134 OE1 GLN B 62 13.659 -9.254 -9.602 1.00 0.00 O ATOM 2135 NE2 GLN B 62 11.456 -9.145 -9.978 1.00 0.00 N ATOM 0 H GLN B 62 11.984 -6.300 -8.825 1.00 0.00 H new ATOM 0 HA GLN B 62 14.644 -6.485 -10.029 1.00 0.00 H new ATOM 0 HB2 GLN B 62 11.796 -6.236 -11.046 1.00 0.00 H new ATOM 0 HB3 GLN B 62 13.158 -5.948 -12.110 1.00 0.00 H new ATOM 0 HG2 GLN B 62 12.208 -8.253 -12.265 1.00 0.00 H new ATOM 0 HG3 GLN B 62 13.924 -8.208 -11.912 1.00 0.00 H new ATOM 0 HE21 GLN B 62 10.697 -8.796 -10.564 1.00 0.00 H new ATOM 0 HE22 GLN B 62 11.247 -9.717 -9.160 1.00 0.00 H new ATOM 2144 N LYS B 63 14.298 -4.043 -11.315 1.00 0.00 N ATOM 2145 CA LYS B 63 14.460 -2.623 -11.572 1.00 0.00 C ATOM 2146 C LYS B 63 13.207 -2.051 -12.209 1.00 0.00 C ATOM 2147 O LYS B 63 12.446 -2.777 -12.851 1.00 0.00 O ATOM 2148 CB LYS B 63 15.677 -2.356 -12.457 1.00 0.00 C ATOM 2149 CG LYS B 63 15.765 -3.215 -13.703 1.00 0.00 C ATOM 2150 CD LYS B 63 16.924 -2.760 -14.572 1.00 0.00 C ATOM 2151 CE LYS B 63 17.173 -3.706 -15.735 1.00 0.00 C ATOM 2152 NZ LYS B 63 17.836 -4.962 -15.301 1.00 0.00 N ATOM 0 H LYS B 63 14.534 -4.646 -12.103 1.00 0.00 H new ATOM 0 HA LYS B 63 14.624 -2.127 -10.615 1.00 0.00 H new ATOM 0 HB2 LYS B 63 15.666 -1.308 -12.757 1.00 0.00 H new ATOM 0 HB3 LYS B 63 16.579 -2.509 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS B 63 15.898 -4.260 -13.424 1.00 0.00 H new ATOM 0 HG3 LYS B 63 14.833 -3.151 -14.264 1.00 0.00 H new ATOM 0 HD2 LYS B 63 16.718 -1.761 -14.956 1.00 0.00 H new ATOM 0 HD3 LYS B 63 17.826 -2.688 -13.964 1.00 0.00 H new ATOM 0 HE2 LYS B 63 16.225 -3.945 -16.217 1.00 0.00 H new ATOM 0 HE3 LYS B 63 17.793 -3.208 -16.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 18.033 -5.556 -16.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 18.729 -4.734 -14.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 17.211 -5.477 -14.648 1.00 0.00 H new ATOM 2166 N GLU B 64 13.000 -0.747 -12.012 1.00 0.00 N ATOM 2167 CA GLU B 64 11.794 -0.054 -12.470 1.00 0.00 C ATOM 2168 C GLU B 64 10.575 -0.540 -11.700 1.00 0.00 C ATOM 2169 O GLU B 64 9.435 -0.257 -12.074 1.00 0.00 O ATOM 2170 CB GLU B 64 11.569 -0.235 -13.975 1.00 0.00 C ATOM 2171 CG GLU B 64 12.620 0.433 -14.841 1.00 0.00 C ATOM 2172 CD GLU B 64 12.335 0.271 -16.317 1.00 0.00 C ATOM 2173 OE1 GLU B 64 12.777 -0.736 -16.907 1.00 0.00 O ATOM 2174 OE2 GLU B 64 11.658 1.144 -16.897 1.00 0.00 O ATOM 0 H GLU B 64 13.664 -0.141 -11.530 1.00 0.00 H new ATOM 0 HA GLU B 64 11.939 1.009 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU B 64 11.549 -1.301 -14.203 1.00 0.00 H new ATOM 0 HB3 GLU B 64 10.590 0.166 -14.236 1.00 0.00 H new ATOM 0 HG2 GLU B 64 12.668 1.494 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU B 64 13.598 0.009 -14.613 1.00 0.00 H new ATOM 2181 N SER B 65 10.820 -1.271 -10.622 1.00 0.00 N ATOM 2182 CA SER B 65 9.741 -1.784 -9.795 1.00 0.00 C ATOM 2183 C SER B 65 9.030 -0.654 -9.055 1.00 0.00 C ATOM 2184 O SER B 65 9.664 0.289 -8.570 1.00 0.00 O ATOM 2185 CB SER B 65 10.280 -2.815 -8.807 1.00 0.00 C ATOM 2186 OG SER B 65 10.764 -3.961 -9.489 1.00 0.00 O ATOM 0 H SER B 65 11.755 -1.521 -10.301 1.00 0.00 H new ATOM 0 HA SER B 65 9.012 -2.267 -10.446 1.00 0.00 H new ATOM 0 HB2 SER B 65 11.081 -2.373 -8.215 1.00 0.00 H new ATOM 0 HB3 SER B 65 9.492 -3.106 -8.112 1.00 0.00 H new ATOM 0 HG SER B 65 10.252 -4.748 -9.210 1.00 0.00 H new ATOM 2192 N THR B 66 7.712 -0.752 -8.984 1.00 0.00 N ATOM 2193 CA THR B 66 6.909 0.254 -8.315 1.00 0.00 C ATOM 2194 C THR B 66 6.583 -0.183 -6.893 1.00 0.00 C ATOM 2195 O THR B 66 5.864 -1.162 -6.678 1.00 0.00 O ATOM 2196 CB THR B 66 5.597 0.517 -9.076 1.00 0.00 C ATOM 2197 OG1 THR B 66 5.870 0.713 -10.469 1.00 0.00 O ATOM 2198 CG2 THR B 66 4.880 1.741 -8.522 1.00 0.00 C ATOM 0 H THR B 66 7.176 -1.522 -9.384 1.00 0.00 H new ATOM 0 HA THR B 66 7.492 1.175 -8.290 1.00 0.00 H new ATOM 0 HB THR B 66 4.951 -0.352 -8.947 1.00 0.00 H new ATOM 0 HG1 THR B 66 5.030 0.878 -10.947 1.00 0.00 H new ATOM 0 HG21 THR B 66 3.956 1.904 -9.077 1.00 0.00 H new ATOM 0 HG22 THR B 66 4.647 1.581 -7.469 1.00 0.00 H new ATOM 0 HG23 THR B 66 5.523 2.616 -8.622 1.00 0.00 H new ATOM 2206 N LEU B 67 7.125 0.538 -5.929 1.00 0.00 N ATOM 2207 CA LEU B 67 6.872 0.250 -4.528 1.00 0.00 C ATOM 2208 C LEU B 67 5.905 1.275 -3.957 1.00 0.00 C ATOM 2209 O LEU B 67 5.763 2.375 -4.494 1.00 0.00 O ATOM 2210 CB LEU B 67 8.175 0.258 -3.711 1.00 0.00 C ATOM 2211 CG LEU B 67 9.135 -0.918 -3.950 1.00 0.00 C ATOM 2212 CD1 LEU B 67 9.793 -0.833 -5.321 1.00 0.00 C ATOM 2213 CD2 LEU B 67 10.191 -0.961 -2.858 1.00 0.00 C ATOM 0 H LEU B 67 7.746 1.331 -6.091 1.00 0.00 H new ATOM 0 HA LEU B 67 6.435 -0.746 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.708 1.184 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU B 67 7.915 0.278 -2.653 1.00 0.00 H new ATOM 0 HG LEU B 67 8.552 -1.838 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU B 67 10.465 -1.681 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU B 67 9.026 -0.852 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU B 67 10.360 0.095 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU B 67 10.866 -1.798 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU B 67 10.758 -0.030 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU B 67 9.708 -1.086 -1.889 1.00 0.00 H new ATOM 2225 N HIS B 68 5.218 0.908 -2.892 1.00 0.00 N ATOM 2226 CA HIS B 68 4.352 1.848 -2.193 1.00 0.00 C ATOM 2227 C HIS B 68 4.702 1.899 -0.721 1.00 0.00 C ATOM 2228 O HIS B 68 4.805 0.865 -0.061 1.00 0.00 O ATOM 2229 CB HIS B 68 2.875 1.491 -2.378 1.00 0.00 C ATOM 2230 CG HIS B 68 2.331 1.895 -3.712 1.00 0.00 C ATOM 2231 ND1 HIS B 68 1.660 3.079 -3.921 1.00 0.00 N ATOM 2232 CD2 HIS B 68 2.366 1.269 -4.910 1.00 0.00 C ATOM 2233 CE1 HIS B 68 1.307 3.166 -5.189 1.00 0.00 C ATOM 2234 NE2 HIS B 68 1.723 2.082 -5.814 1.00 0.00 N ATOM 0 H HIS B 68 5.240 -0.029 -2.491 1.00 0.00 H new ATOM 0 HA HIS B 68 4.515 2.835 -2.627 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.750 0.415 -2.253 1.00 0.00 H new ATOM 0 HB3 HIS B 68 2.291 1.973 -1.594 1.00 0.00 H new ATOM 0 HD1 HIS B 68 1.466 3.780 -3.206 1.00 0.00 H new ATOM 0 HD2 HIS B 68 2.815 0.309 -5.118 1.00 0.00 H new ATOM 0 HE1 HIS B 68 0.768 3.987 -5.639 1.00 0.00 H new ATOM 2243 N LEU B 69 4.897 3.106 -0.220 1.00 0.00 N ATOM 2244 CA LEU B 69 5.242 3.304 1.172 1.00 0.00 C ATOM 2245 C LEU B 69 3.992 3.556 2.000 1.00 0.00 C ATOM 2246 O LEU B 69 3.385 4.625 1.926 1.00 0.00 O ATOM 2247 CB LEU B 69 6.221 4.470 1.321 1.00 0.00 C ATOM 2248 CG LEU B 69 6.590 4.827 2.761 1.00 0.00 C ATOM 2249 CD1 LEU B 69 7.186 3.628 3.474 1.00 0.00 C ATOM 2250 CD2 LEU B 69 7.565 5.991 2.788 1.00 0.00 C ATOM 0 H LEU B 69 4.821 3.967 -0.762 1.00 0.00 H new ATOM 0 HA LEU B 69 5.724 2.397 1.538 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.134 4.229 0.777 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.789 5.350 0.844 1.00 0.00 H new ATOM 0 HG LEU B 69 5.679 5.122 3.282 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.442 3.903 4.497 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.460 2.815 3.488 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.085 3.303 2.950 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.816 6.231 3.821 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.472 5.719 2.248 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.108 6.860 2.315 1.00 0.00 H new ATOM 2262 N VAL B 70 3.597 2.555 2.762 1.00 0.00 N ATOM 2263 CA VAL B 70 2.475 2.684 3.667 1.00 0.00 C ATOM 2264 C VAL B 70 3.003 2.797 5.085 1.00 0.00 C ATOM 2265 O VAL B 70 3.873 2.028 5.501 1.00 0.00 O ATOM 2266 CB VAL B 70 1.502 1.498 3.540 1.00 0.00 C ATOM 2267 CG1 VAL B 70 0.268 1.736 4.385 1.00 0.00 C ATOM 2268 CG2 VAL B 70 1.117 1.287 2.085 1.00 0.00 C ATOM 0 H VAL B 70 4.041 1.637 2.771 1.00 0.00 H new ATOM 0 HA VAL B 70 1.914 3.582 3.408 1.00 0.00 H new ATOM 0 HB VAL B 70 1.999 0.598 3.902 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.411 0.889 4.285 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.558 1.847 5.430 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.233 2.644 4.049 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.429 0.445 2.009 1.00 0.00 H new ATOM 0 HG22 VAL B 70 0.634 2.186 1.702 1.00 0.00 H new ATOM 0 HG23 VAL B 70 2.012 1.078 1.499 1.00 0.00 H new ATOM 2278 N LEU B 71 2.500 3.778 5.808 1.00 0.00 N ATOM 2279 CA LEU B 71 3.068 4.131 7.091 1.00 0.00 C ATOM 2280 C LEU B 71 2.594 3.219 8.208 1.00 0.00 C ATOM 2281 O LEU B 71 1.452 2.747 8.221 1.00 0.00 O ATOM 2282 CB LEU B 71 2.749 5.580 7.435 1.00 0.00 C ATOM 2283 CG LEU B 71 3.310 6.621 6.465 1.00 0.00 C ATOM 2284 CD1 LEU B 71 3.238 7.989 7.101 1.00 0.00 C ATOM 2285 CD2 LEU B 71 4.745 6.291 6.067 1.00 0.00 C ATOM 0 H LEU B 71 1.699 4.344 5.528 1.00 0.00 H new ATOM 0 HA LEU B 71 4.147 4.005 7.003 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.666 5.696 7.480 1.00 0.00 H new ATOM 0 HB3 LEU B 71 3.134 5.792 8.432 1.00 0.00 H new ATOM 0 HG LEU B 71 2.708 6.611 5.556 1.00 0.00 H new ATOM 0 HD11 LEU B 71 3.637 8.732 6.411 1.00 0.00 H new ATOM 0 HD12 LEU B 71 2.200 8.229 7.332 1.00 0.00 H new ATOM 0 HD13 LEU B 71 3.825 7.994 8.020 1.00 0.00 H new ATOM 0 HD21 LEU B 71 5.115 7.050 5.377 1.00 0.00 H new ATOM 0 HD22 LEU B 71 5.374 6.272 6.957 1.00 0.00 H new ATOM 0 HD23 LEU B 71 4.773 5.315 5.582 1.00 0.00 H new ATOM 2297 N ARG B 72 3.503 2.968 9.127 1.00 0.00 N ATOM 2298 CA ARG B 72 3.194 2.288 10.366 1.00 0.00 C ATOM 2299 C ARG B 72 3.026 3.341 11.448 1.00 0.00 C ATOM 2300 O ARG B 72 4.009 3.939 11.884 1.00 0.00 O ATOM 2301 CB ARG B 72 4.311 1.303 10.738 1.00 0.00 C ATOM 2302 CG ARG B 72 4.153 0.686 12.121 1.00 0.00 C ATOM 2303 CD ARG B 72 5.350 -0.175 12.497 1.00 0.00 C ATOM 2304 NE ARG B 72 5.357 -1.462 11.799 1.00 0.00 N ATOM 2305 CZ ARG B 72 6.442 -2.007 11.245 1.00 0.00 C ATOM 2306 NH1 ARG B 72 7.584 -1.325 11.206 1.00 0.00 N ATOM 2307 NH2 ARG B 72 6.381 -3.227 10.717 1.00 0.00 N ATOM 0 H ARG B 72 4.484 3.232 9.034 1.00 0.00 H new ATOM 0 HA ARG B 72 2.275 1.711 10.257 1.00 0.00 H new ATOM 0 HB2 ARG B 72 4.341 0.505 9.996 1.00 0.00 H new ATOM 0 HB3 ARG B 72 5.269 1.820 10.689 1.00 0.00 H new ATOM 0 HG2 ARG B 72 4.029 1.478 12.860 1.00 0.00 H new ATOM 0 HG3 ARG B 72 3.247 0.080 12.147 1.00 0.00 H new ATOM 0 HD2 ARG B 72 6.268 0.365 12.266 1.00 0.00 H new ATOM 0 HD3 ARG B 72 5.344 -0.349 13.573 1.00 0.00 H new ATOM 0 HE ARG B 72 4.477 -1.974 11.732 1.00 0.00 H new ATOM 0 HH11 ARG B 72 7.630 -0.385 11.600 1.00 0.00 H new ATOM 0 HH12 ARG B 72 8.413 -1.742 10.782 1.00 0.00 H new ATOM 0 HH21 ARG B 72 5.504 -3.747 10.735 1.00 0.00 H new ATOM 0 HH22 ARG B 72 7.211 -3.642 10.294 1.00 0.00 H new ATOM 2321 N LEU B 73 1.780 3.601 11.827 1.00 0.00 N ATOM 2322 CA LEU B 73 1.469 4.643 12.800 1.00 0.00 C ATOM 2323 C LEU B 73 2.247 4.434 14.098 1.00 0.00 C ATOM 2324 O LEU B 73 1.876 3.611 14.939 1.00 0.00 O ATOM 2325 CB LEU B 73 -0.036 4.672 13.077 1.00 0.00 C ATOM 2326 CG LEU B 73 -0.918 4.893 11.844 1.00 0.00 C ATOM 2327 CD1 LEU B 73 -2.387 4.879 12.229 1.00 0.00 C ATOM 2328 CD2 LEU B 73 -0.559 6.202 11.153 1.00 0.00 C ATOM 0 H LEU B 73 0.964 3.102 11.473 1.00 0.00 H new ATOM 0 HA LEU B 73 1.770 5.603 12.380 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -0.322 3.730 13.545 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -0.242 5.462 13.799 1.00 0.00 H new ATOM 0 HG LEU B 73 -0.738 4.077 11.145 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.998 5.038 11.340 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -2.637 3.916 12.674 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.582 5.673 12.949 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -1.197 6.340 10.280 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -0.707 7.031 11.845 1.00 0.00 H new ATOM 0 HD23 LEU B 73 0.484 6.173 10.839 1.00 0.00 H new