USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 15:sc= 0.877 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 145:sc= 1.69 (180deg=-0.00814) USER MOD Set 2.1: A 65 TYR OH : rot -167:sc= 0.527! USER MOD Set 2.2: B 112 GLN : amide:sc= 0.0251 K(o=2.8,f=1.5) USER MOD Set 2.3: B 116 THR OG1 : rot 86:sc= 2.21 USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0.429 K(o=-1.6,f=-5.3) USER MOD Set 3.2: A 24 GLN : amide:sc= -2.08! C(o=-1.6!,f=-7.7!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -2.95! C(o=-0.93!,f=-7.8!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 172:sc= 2.02 (180deg=1.2) USER MOD Single : A 7 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 120:sc= 1.34 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.131 F(o=-1.5!,f=-0.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -132:sc= -0.734! USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= -0.485 (180deg=-2.14!) USER MOD Single : A 40 MET CE :methyl -129:sc= -3.76! (180deg=-7.05!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.282 F(o=-1.3,f=-0.28) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0045 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0525) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.694) USER MOD Single : A 54 MET CE :methyl 159:sc= -1.93 (180deg=-2.69!) USER MOD Single : A 55 TYR OH : rot -30:sc= -0.244 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.521 USER MOD Single : A 64 TYR OH : rot 33:sc= 0.431 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.13) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.4!) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= -1.96! (180deg=-3.93!) USER MOD Single : B 110 THR OG1 : rot 24:sc= 0.169 USER MOD Single : B 117 SER OG : rot -83:sc= 1.24 USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 141 MET CE :methyl 159:sc= -1.18 (180deg=-1.78!) USER MOD Single : B 143 SER OG : rot 180:sc= 0.0524 USER MOD Single : B 147 SER OG : rot 75:sc= 0.0857 USER MOD Single : B 150 MET CE :methyl 161:sc= -0.142 (180deg=-0.597) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.597 -0.175 -4.768 1.00 0.00 N ATOM 73 CA GLY A 5 23.066 -0.537 -3.423 1.00 0.00 C ATOM 74 C GLY A 5 22.065 -0.439 -2.301 1.00 0.00 C ATOM 75 O GLY A 5 22.189 -1.140 -1.285 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.437 -1.561 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.915 0.101 -3.177 1.00 0.00 H new ATOM 79 N TRP A 6 21.067 0.388 -2.469 1.00 0.00 N ATOM 80 CA TRP A 6 20.052 0.566 -1.460 1.00 0.00 C ATOM 81 C TRP A 6 19.262 -0.709 -1.183 1.00 0.00 C ATOM 82 O TRP A 6 18.608 -0.812 -0.149 1.00 0.00 O ATOM 83 CB TRP A 6 19.111 1.696 -1.817 1.00 0.00 C ATOM 84 CG TRP A 6 18.330 1.519 -3.075 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.683 1.910 -4.319 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.044 0.932 -3.197 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.679 1.638 -5.195 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.671 1.024 -4.530 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.174 0.342 -2.302 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.469 0.554 -4.983 1.00 0.00 C ATOM 91 CZ3 TRP A 6 14.973 -0.127 -2.757 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.632 -0.017 -4.078 1.00 0.00 C ATOM 0 H TRP A 6 20.933 0.956 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 6 20.582 0.824 -0.543 1.00 0.00 H new ATOM 0 HB2 TRP A 6 18.410 1.834 -0.993 1.00 0.00 H new ATOM 0 HB3 TRP A 6 19.692 2.615 -1.899 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.624 2.371 -4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.684 1.860 -6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.438 0.252 -1.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.195 0.634 -6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.285 -0.590 -2.065 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.675 -0.393 -4.409 1.00 0.00 H new ATOM 103 N HIS A 7 19.337 -1.684 -2.089 1.00 0.00 N ATOM 104 CA HIS A 7 18.632 -2.954 -1.921 1.00 0.00 C ATOM 105 C HIS A 7 19.168 -3.759 -0.724 1.00 0.00 C ATOM 106 O HIS A 7 18.556 -4.730 -0.291 1.00 0.00 O ATOM 107 CB HIS A 7 18.602 -3.800 -3.229 1.00 0.00 C ATOM 108 CG HIS A 7 19.934 -4.237 -3.813 1.00 0.00 C ATOM 109 ND1 HIS A 7 20.042 -5.045 -4.921 1.00 0.00 N ATOM 110 CD2 HIS A 7 21.210 -3.942 -3.452 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.334 -5.208 -5.196 1.00 0.00 C ATOM 112 NE2 HIS A 7 22.089 -4.558 -4.332 1.00 0.00 N ATOM 0 H HIS A 7 19.881 -1.618 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 7 17.596 -2.702 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.009 -4.694 -3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.074 -3.225 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.495 -3.325 -2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.714 -5.795 -6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 7 23.108 -4.517 -4.314 1.00 0.00 H new ATOM 120 N GLU A 8 20.309 -3.344 -0.200 1.00 0.00 N ATOM 121 CA GLU A 8 20.874 -3.952 0.984 1.00 0.00 C ATOM 122 C GLU A 8 20.204 -3.372 2.237 1.00 0.00 C ATOM 123 O GLU A 8 20.082 -4.041 3.262 1.00 0.00 O ATOM 124 CB GLU A 8 22.383 -3.714 1.038 1.00 0.00 C ATOM 125 CG GLU A 8 23.151 -4.315 -0.130 1.00 0.00 C ATOM 126 CD GLU A 8 24.634 -4.076 -0.028 1.00 0.00 C ATOM 127 OE1 GLU A 8 25.277 -4.656 0.861 1.00 0.00 O ATOM 128 OE2 GLU A 8 25.201 -3.324 -0.839 1.00 0.00 O ATOM 0 H GLU A 8 20.864 -2.580 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 8 20.694 -5.026 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.569 -2.640 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.772 -4.130 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.961 -5.387 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.781 -3.889 -1.062 1.00 0.00 H new ATOM 135 N HIS A 9 19.700 -2.150 2.110 1.00 0.00 N ATOM 136 CA HIS A 9 19.094 -1.406 3.228 1.00 0.00 C ATOM 137 C HIS A 9 17.608 -1.657 3.325 1.00 0.00 C ATOM 138 O HIS A 9 16.917 -1.082 4.163 1.00 0.00 O ATOM 139 CB HIS A 9 19.342 0.109 3.089 1.00 0.00 C ATOM 140 CG HIS A 9 20.770 0.530 3.276 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.277 1.030 4.456 1.00 0.00 N ATOM 142 CD2 HIS A 9 21.802 0.526 2.400 1.00 0.00 C ATOM 143 CE1 HIS A 9 22.566 1.308 4.269 1.00 0.00 C ATOM 144 NE2 HIS A 9 22.940 1.019 3.031 1.00 0.00 N ATOM 0 H HIS A 9 19.696 -1.638 1.228 1.00 0.00 H new ATOM 0 HA HIS A 9 19.572 -1.768 4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.009 0.429 2.101 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.724 0.633 3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.750 0.193 1.374 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.220 1.715 5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.869 1.134 2.625 1.00 0.00 H new ATOM 152 N VAL A 10 17.118 -2.498 2.482 1.00 0.00 N ATOM 153 CA VAL A 10 15.727 -2.803 2.460 1.00 0.00 C ATOM 154 C VAL A 10 15.539 -4.306 2.330 1.00 0.00 C ATOM 155 O VAL A 10 15.883 -4.909 1.323 1.00 0.00 O ATOM 156 CB VAL A 10 15.013 -2.012 1.318 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.624 -2.286 -0.036 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.515 -2.244 1.306 1.00 0.00 C ATOM 0 H VAL A 10 17.671 -2.996 1.785 1.00 0.00 H new ATOM 0 HA VAL A 10 15.264 -2.490 3.396 1.00 0.00 H new ATOM 0 HB VAL A 10 15.172 -0.956 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.094 -1.714 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.674 -1.993 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.546 -3.349 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.065 -1.673 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.312 -3.305 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.089 -1.922 2.256 1.00 0.00 H new ATOM 168 N THR A 11 15.071 -4.910 3.364 1.00 0.00 N ATOM 169 CA THR A 11 14.848 -6.316 3.358 1.00 0.00 C ATOM 170 C THR A 11 13.428 -6.658 3.017 1.00 0.00 C ATOM 171 O THR A 11 12.555 -5.760 2.950 1.00 0.00 O ATOM 172 CB THR A 11 15.224 -6.918 4.690 1.00 0.00 C ATOM 173 OG1 THR A 11 15.060 -5.936 5.729 1.00 0.00 O ATOM 174 CG2 THR A 11 16.622 -7.449 4.656 1.00 0.00 C ATOM 0 H THR A 11 14.831 -4.445 4.240 1.00 0.00 H new ATOM 0 HA THR A 11 15.485 -6.741 2.582 1.00 0.00 H new ATOM 0 HB THR A 11 14.563 -7.758 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.405 -6.258 6.383 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.872 -7.878 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.700 -8.218 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.314 -6.638 4.429 1.00 0.00 H new ATOM 182 N GLN A 12 13.191 -7.950 2.812 1.00 0.00 N ATOM 183 CA GLN A 12 11.889 -8.473 2.478 1.00 0.00 C ATOM 184 C GLN A 12 10.855 -8.023 3.485 1.00 0.00 C ATOM 185 O GLN A 12 9.777 -7.624 3.117 1.00 0.00 O ATOM 186 CB GLN A 12 11.891 -9.984 2.458 1.00 0.00 C ATOM 187 CG GLN A 12 10.532 -10.545 2.056 1.00 0.00 C ATOM 188 CD GLN A 12 10.236 -11.920 2.585 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.691 -12.212 3.777 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 9.530 -12.696 1.943 1.00 0.00 N flip ATOM 0 H GLN A 12 13.915 -8.666 2.876 1.00 0.00 H new ATOM 0 HA GLN A 12 11.642 -8.092 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.651 -10.338 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.163 -10.361 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.756 -9.863 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.472 -10.569 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.194 -12.433 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.280 -13.603 2.337 1.00 0.00 H new ATOM 199 N ASP A 13 11.209 -8.082 4.748 1.00 0.00 N ATOM 200 CA ASP A 13 10.309 -7.695 5.837 1.00 0.00 C ATOM 201 C ASP A 13 9.717 -6.300 5.648 1.00 0.00 C ATOM 202 O ASP A 13 8.497 -6.134 5.729 1.00 0.00 O ATOM 203 CB ASP A 13 10.981 -7.812 7.229 1.00 0.00 C ATOM 204 CG ASP A 13 12.199 -6.922 7.411 1.00 0.00 C ATOM 205 OD1 ASP A 13 13.321 -7.369 7.090 1.00 0.00 O ATOM 206 OD2 ASP A 13 12.061 -5.773 7.871 1.00 0.00 O ATOM 0 H ASP A 13 12.127 -8.398 5.061 1.00 0.00 H new ATOM 0 HA ASP A 13 9.487 -8.410 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.247 -7.565 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.275 -8.849 7.392 1.00 0.00 H new ATOM 211 N LEU A 14 10.547 -5.348 5.258 1.00 0.00 N ATOM 212 CA LEU A 14 10.131 -3.958 5.192 1.00 0.00 C ATOM 213 C LEU A 14 9.266 -3.779 3.968 1.00 0.00 C ATOM 214 O LEU A 14 8.148 -3.270 4.044 1.00 0.00 O ATOM 215 CB LEU A 14 11.401 -3.035 5.201 1.00 0.00 C ATOM 216 CG LEU A 14 11.242 -1.474 5.235 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.879 -0.893 3.895 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.218 -1.024 6.259 1.00 0.00 C ATOM 0 H LEU A 14 11.515 -5.513 4.982 1.00 0.00 H new ATOM 0 HA LEU A 14 9.535 -3.672 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.000 -3.318 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.986 -3.281 4.315 1.00 0.00 H new ATOM 0 HG LEU A 14 12.225 -1.098 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.783 0.189 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.659 -1.131 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.932 -1.316 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.143 0.063 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.247 -1.457 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.526 -1.354 7.251 1.00 0.00 H new ATOM 230 N ARG A 15 9.748 -4.299 2.867 1.00 0.00 N ATOM 231 CA ARG A 15 9.061 -4.181 1.606 1.00 0.00 C ATOM 232 C ARG A 15 7.729 -4.926 1.595 1.00 0.00 C ATOM 233 O ARG A 15 6.707 -4.377 1.194 1.00 0.00 O ATOM 234 CB ARG A 15 9.962 -4.608 0.464 1.00 0.00 C ATOM 235 CG ARG A 15 10.498 -6.002 0.531 1.00 0.00 C ATOM 236 CD ARG A 15 11.518 -6.210 -0.543 1.00 0.00 C ATOM 237 NE ARG A 15 10.934 -5.952 -1.884 1.00 0.00 N ATOM 238 CZ ARG A 15 11.359 -6.426 -3.069 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.431 -7.202 -3.155 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.677 -6.125 -4.161 1.00 0.00 N ATOM 0 H ARG A 15 10.626 -4.815 2.820 1.00 0.00 H new ATOM 0 HA ARG A 15 8.816 -3.128 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.408 -4.498 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.805 -3.919 0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.945 -6.182 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.685 -6.719 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.367 -5.547 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.898 -7.231 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 15 10.115 -5.344 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.950 -7.450 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.736 -7.551 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.843 -5.542 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.985 -6.476 -5.068 1.00 0.00 H new ATOM 254 N SER A 16 7.733 -6.143 2.111 1.00 0.00 N ATOM 255 CA SER A 16 6.548 -6.959 2.174 1.00 0.00 C ATOM 256 C SER A 16 5.564 -6.357 3.183 1.00 0.00 C ATOM 257 O SER A 16 4.348 -6.592 3.115 1.00 0.00 O ATOM 258 CB SER A 16 6.912 -8.420 2.514 1.00 0.00 C ATOM 259 OG SER A 16 5.771 -9.260 2.549 1.00 0.00 O ATOM 0 H SER A 16 8.565 -6.588 2.498 1.00 0.00 H new ATOM 0 HA SER A 16 6.061 -6.974 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.618 -8.799 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.415 -8.452 3.480 1.00 0.00 H new ATOM 0 HG SER A 16 6.045 -10.175 2.766 1.00 0.00 H new ATOM 265 N HIS A 17 6.088 -5.568 4.118 1.00 0.00 N ATOM 266 CA HIS A 17 5.247 -4.852 5.036 1.00 0.00 C ATOM 267 C HIS A 17 4.476 -3.772 4.276 1.00 0.00 C ATOM 268 O HIS A 17 3.267 -3.620 4.474 1.00 0.00 O ATOM 269 CB HIS A 17 6.069 -4.235 6.155 1.00 0.00 C ATOM 270 CG HIS A 17 5.262 -3.677 7.274 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.903 -4.401 8.388 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.785 -2.426 7.464 1.00 0.00 C ATOM 273 CE1 HIS A 17 4.240 -3.593 9.210 1.00 0.00 C ATOM 274 NE2 HIS A 17 4.138 -2.368 8.691 1.00 0.00 N ATOM 0 H HIS A 17 7.088 -5.417 4.249 1.00 0.00 H new ATOM 0 HA HIS A 17 4.541 -5.548 5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.745 -4.992 6.553 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.689 -3.441 5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.110 -5.386 8.554 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.890 -1.604 6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.838 -3.888 10.168 1.00 0.00 H new ATOM 282 N LEU A 18 5.161 -3.024 3.389 1.00 0.00 N ATOM 283 CA LEU A 18 4.440 -2.025 2.583 1.00 0.00 C ATOM 284 C LEU A 18 3.425 -2.722 1.689 1.00 0.00 C ATOM 285 O LEU A 18 2.326 -2.222 1.505 1.00 0.00 O ATOM 286 CB LEU A 18 5.326 -1.087 1.716 1.00 0.00 C ATOM 287 CG LEU A 18 6.372 -0.165 2.406 1.00 0.00 C ATOM 288 CD1 LEU A 18 5.980 0.227 3.795 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.730 -0.771 2.375 1.00 0.00 C ATOM 0 H LEU A 18 6.165 -3.087 3.218 1.00 0.00 H new ATOM 0 HA LEU A 18 3.960 -1.373 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.863 -1.713 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.657 -0.448 1.139 1.00 0.00 H new ATOM 0 HG LEU A 18 6.399 0.757 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.750 0.870 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.032 0.765 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.872 -0.667 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.438 -0.103 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.713 -1.728 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.035 -0.927 1.340 1.00 0.00 H new ATOM 301 N VAL A 19 3.803 -3.898 1.164 1.00 0.00 N ATOM 302 CA VAL A 19 2.903 -4.744 0.356 1.00 0.00 C ATOM 303 C VAL A 19 1.610 -5.024 1.139 1.00 0.00 C ATOM 304 O VAL A 19 0.498 -4.867 0.619 1.00 0.00 O ATOM 305 CB VAL A 19 3.574 -6.119 -0.012 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.640 -7.013 -0.784 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.827 -5.922 -0.813 1.00 0.00 C ATOM 0 H VAL A 19 4.737 -4.290 1.285 1.00 0.00 H new ATOM 0 HA VAL A 19 2.685 -4.204 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 19 3.820 -6.599 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.144 -7.951 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.753 -7.217 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.346 -6.519 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.264 -6.892 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.589 -5.396 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.540 -5.334 -0.235 1.00 0.00 H new ATOM 317 N HIS A 20 1.778 -5.396 2.400 1.00 0.00 N ATOM 318 CA HIS A 20 0.665 -5.702 3.282 1.00 0.00 C ATOM 319 C HIS A 20 -0.227 -4.472 3.446 1.00 0.00 C ATOM 320 O HIS A 20 -1.444 -4.574 3.430 1.00 0.00 O ATOM 321 CB HIS A 20 1.181 -6.152 4.653 1.00 0.00 C ATOM 322 CG HIS A 20 0.126 -6.732 5.550 1.00 0.00 C ATOM 323 ND1 HIS A 20 -0.635 -6.004 6.447 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.280 -8.013 5.677 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.448 -6.852 7.073 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.273 -8.082 6.639 1.00 0.00 N ATOM 0 H HIS A 20 2.693 -5.494 2.840 1.00 0.00 H new ATOM 0 HA HIS A 20 0.083 -6.511 2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.966 -6.894 4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.638 -5.299 5.154 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.583 -4.997 6.601 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.108 -8.851 5.117 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.157 -6.568 7.836 1.00 0.00 H new ATOM 334 N LYS A 21 0.381 -3.314 3.590 1.00 0.00 N ATOM 335 CA LYS A 21 -0.393 -2.098 3.733 1.00 0.00 C ATOM 336 C LYS A 21 -1.035 -1.658 2.448 1.00 0.00 C ATOM 337 O LYS A 21 -2.103 -1.074 2.484 1.00 0.00 O ATOM 338 CB LYS A 21 0.341 -0.955 4.442 1.00 0.00 C ATOM 339 CG LYS A 21 0.360 -1.117 5.958 1.00 0.00 C ATOM 340 CD LYS A 21 1.309 -2.228 6.404 1.00 0.00 C ATOM 341 CE LYS A 21 1.095 -2.649 7.869 1.00 0.00 C ATOM 342 NZ LYS A 21 1.413 -1.587 8.847 1.00 0.00 N ATOM 0 H LYS A 21 1.393 -3.188 3.611 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.201 -2.373 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.366 -0.903 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.137 -0.009 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.661 -0.176 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.647 -1.337 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.173 -3.096 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.338 -1.893 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.057 -2.954 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.713 -3.522 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.119 -1.891 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.437 -1.406 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.907 -0.716 8.590 1.00 0.00 H new ATOM 356 N LEU A 22 -0.396 -1.940 1.317 1.00 0.00 N ATOM 357 CA LEU A 22 -0.997 -1.679 0.008 1.00 0.00 C ATOM 358 C LEU A 22 -2.322 -2.416 -0.066 1.00 0.00 C ATOM 359 O LEU A 22 -3.327 -1.864 -0.499 1.00 0.00 O ATOM 360 CB LEU A 22 -0.054 -2.110 -1.132 1.00 0.00 C ATOM 361 CG LEU A 22 1.221 -1.272 -1.309 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.170 -1.931 -2.291 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.864 0.087 -1.834 1.00 0.00 C ATOM 0 H LEU A 22 0.538 -2.349 1.278 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.167 -0.609 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.238 -3.146 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.613 -2.085 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 22 1.708 -1.190 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.065 -1.318 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.448 -2.918 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.680 -2.031 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.771 0.679 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.362 -0.015 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.199 0.586 -1.129 1.00 0.00 H new ATOM 375 N VAL A 23 -2.302 -3.647 0.424 1.00 0.00 N ATOM 376 CA VAL A 23 -3.489 -4.463 0.593 1.00 0.00 C ATOM 377 C VAL A 23 -4.498 -3.775 1.531 1.00 0.00 C ATOM 378 O VAL A 23 -5.633 -3.589 1.170 1.00 0.00 O ATOM 379 CB VAL A 23 -3.119 -5.842 1.196 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.353 -6.536 1.748 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.455 -6.715 0.144 1.00 0.00 C ATOM 0 H VAL A 23 -1.444 -4.112 0.720 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.938 -4.597 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.418 -5.681 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.071 -7.502 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.799 -5.919 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.076 -6.685 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.200 -7.681 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.140 -6.864 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.548 -6.228 -0.213 1.00 0.00 H new ATOM 391 N GLN A 24 -4.048 -3.392 2.724 1.00 0.00 N ATOM 392 CA GLN A 24 -4.932 -2.791 3.744 1.00 0.00 C ATOM 393 C GLN A 24 -5.552 -1.483 3.273 1.00 0.00 C ATOM 394 O GLN A 24 -6.603 -1.068 3.767 1.00 0.00 O ATOM 395 CB GLN A 24 -4.185 -2.567 5.062 1.00 0.00 C ATOM 396 CG GLN A 24 -3.577 -3.826 5.627 1.00 0.00 C ATOM 397 CD GLN A 24 -2.889 -3.617 6.942 1.00 0.00 C ATOM 398 OE1 GLN A 24 -1.705 -3.334 6.973 1.00 0.00 O ATOM 399 NE2 GLN A 24 -3.592 -3.772 8.031 1.00 0.00 N ATOM 0 H GLN A 24 -3.075 -3.484 3.017 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.740 -3.504 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.397 -1.831 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.873 -2.145 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.359 -4.575 5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.861 -4.228 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.582 -4.009 7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.151 -3.656 8.943 1.00 0.00 H new ATOM 408 N ALA A 25 -4.879 -0.815 2.372 1.00 0.00 N ATOM 409 CA ALA A 25 -5.381 0.396 1.815 1.00 0.00 C ATOM 410 C ALA A 25 -6.367 0.130 0.714 1.00 0.00 C ATOM 411 O ALA A 25 -7.425 0.701 0.711 1.00 0.00 O ATOM 412 CB ALA A 25 -4.252 1.163 1.263 1.00 0.00 C ATOM 0 H ALA A 25 -3.970 -1.102 2.010 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.889 0.952 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.621 2.094 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.541 1.387 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.757 0.576 0.489 1.00 0.00 H new ATOM 418 N ILE A 26 -6.024 -0.770 -0.202 1.00 0.00 N ATOM 419 CA ILE A 26 -6.897 -1.053 -1.340 1.00 0.00 C ATOM 420 C ILE A 26 -8.124 -1.824 -0.874 1.00 0.00 C ATOM 421 O ILE A 26 -9.215 -1.718 -1.434 1.00 0.00 O ATOM 422 CB ILE A 26 -6.165 -1.861 -2.465 1.00 0.00 C ATOM 423 CG1 ILE A 26 -7.073 -2.004 -3.666 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.727 -3.245 -1.990 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.545 -2.922 -4.719 1.00 0.00 C ATOM 0 H ILE A 26 -5.159 -1.311 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.196 -0.094 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.268 -1.304 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.044 -2.370 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.236 -1.020 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.224 -3.767 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.042 -3.141 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.601 -3.816 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.253 -2.972 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.588 -2.547 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.409 -3.918 -4.298 1.00 0.00 H new ATOM 437 N PHE A 27 -7.926 -2.572 0.156 1.00 0.00 N ATOM 438 CA PHE A 27 -8.928 -3.367 0.725 1.00 0.00 C ATOM 439 C PHE A 27 -8.952 -3.107 2.215 1.00 0.00 C ATOM 440 O PHE A 27 -8.241 -3.773 2.983 1.00 0.00 O ATOM 441 CB PHE A 27 -8.610 -4.829 0.444 1.00 0.00 C ATOM 442 CG PHE A 27 -9.619 -5.845 0.904 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.822 -5.989 0.253 1.00 0.00 C ATOM 444 CD2 PHE A 27 -9.339 -6.670 1.974 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.739 -6.939 0.666 1.00 0.00 C ATOM 446 CE2 PHE A 27 -10.246 -7.619 2.390 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.450 -7.753 1.737 1.00 0.00 C ATOM 0 H PHE A 27 -7.027 -2.641 0.633 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.904 -3.130 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.476 -4.947 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.654 -5.064 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.053 -5.354 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.397 -6.570 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.681 -7.042 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.012 -8.258 3.229 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.165 -8.494 2.064 1.00 0.00 H new ATOM 457 N PRO A 28 -9.643 -2.043 2.640 1.00 0.00 N ATOM 458 CA PRO A 28 -9.917 -1.798 4.048 1.00 0.00 C ATOM 459 C PRO A 28 -10.790 -2.939 4.563 1.00 0.00 C ATOM 460 O PRO A 28 -12.017 -2.863 4.545 1.00 0.00 O ATOM 461 CB PRO A 28 -10.709 -0.483 4.019 1.00 0.00 C ATOM 462 CG PRO A 28 -11.250 -0.453 2.633 1.00 0.00 C ATOM 463 CD PRO A 28 -10.163 -0.958 1.797 1.00 0.00 C ATOM 0 HA PRO A 28 -9.034 -1.740 4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.505 -0.474 4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.072 0.377 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.140 -1.075 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.536 0.558 2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.518 -1.320 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.410 -0.196 1.594 1.00 0.00 H new ATOM 471 N THR A 29 -10.140 -4.002 4.928 1.00 0.00 N ATOM 472 CA THR A 29 -10.764 -5.241 5.271 1.00 0.00 C ATOM 473 C THR A 29 -11.765 -5.120 6.434 1.00 0.00 C ATOM 474 O THR A 29 -11.576 -4.325 7.365 1.00 0.00 O ATOM 475 CB THR A 29 -9.689 -6.324 5.568 1.00 0.00 C ATOM 476 OG1 THR A 29 -10.291 -7.610 5.647 1.00 0.00 O ATOM 477 CG2 THR A 29 -8.941 -6.032 6.864 1.00 0.00 C ATOM 0 H THR A 29 -9.123 -4.030 4.997 1.00 0.00 H new ATOM 0 HA THR A 29 -11.350 -5.546 4.404 1.00 0.00 H new ATOM 0 HB THR A 29 -8.972 -6.306 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.970 -8.073 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.198 -6.810 7.038 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.443 -5.065 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.647 -6.011 7.695 1.00 0.00 H new ATOM 485 N PRO A 30 -12.873 -5.862 6.357 1.00 0.00 N ATOM 486 CA PRO A 30 -13.844 -5.925 7.438 1.00 0.00 C ATOM 487 C PRO A 30 -13.304 -6.773 8.600 1.00 0.00 C ATOM 488 O PRO A 30 -13.569 -6.502 9.774 1.00 0.00 O ATOM 489 CB PRO A 30 -15.047 -6.626 6.781 1.00 0.00 C ATOM 490 CG PRO A 30 -14.445 -7.463 5.707 1.00 0.00 C ATOM 491 CD PRO A 30 -13.289 -6.672 5.183 1.00 0.00 C ATOM 0 HA PRO A 30 -14.085 -4.948 7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.594 -7.235 7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.754 -5.904 6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.116 -8.426 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.169 -7.669 4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.484 -7.318 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.580 -6.043 4.342 1.00 0.00 H new ATOM 499 N ASP A 31 -12.486 -7.755 8.263 1.00 0.00 N ATOM 500 CA ASP A 31 -11.970 -8.703 9.232 1.00 0.00 C ATOM 501 C ASP A 31 -10.574 -9.093 8.825 1.00 0.00 C ATOM 502 O ASP A 31 -10.318 -9.274 7.635 1.00 0.00 O ATOM 503 CB ASP A 31 -12.813 -9.970 9.204 1.00 0.00 C ATOM 504 CG ASP A 31 -12.520 -10.921 10.338 1.00 0.00 C ATOM 505 OD1 ASP A 31 -11.501 -11.614 10.300 1.00 0.00 O ATOM 506 OD2 ASP A 31 -13.338 -10.999 11.272 1.00 0.00 O ATOM 0 H ASP A 31 -12.161 -7.917 7.310 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.988 -8.249 10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.867 -9.695 9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.647 -10.485 8.258 1.00 0.00 H new ATOM 511 N PRO A 32 -9.647 -9.227 9.762 1.00 0.00 N ATOM 512 CA PRO A 32 -8.294 -9.690 9.471 1.00 0.00 C ATOM 513 C PRO A 32 -8.234 -11.058 8.718 1.00 0.00 C ATOM 514 O PRO A 32 -7.257 -11.352 8.041 1.00 0.00 O ATOM 515 CB PRO A 32 -7.636 -9.823 10.841 1.00 0.00 C ATOM 516 CG PRO A 32 -8.732 -9.674 11.843 1.00 0.00 C ATOM 517 CD PRO A 32 -9.803 -8.877 11.185 1.00 0.00 C ATOM 0 HA PRO A 32 -7.797 -8.988 8.802 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.143 -10.789 10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.872 -9.058 10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.109 -10.649 12.153 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.371 -9.172 12.741 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.792 -9.142 11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.673 -7.808 11.355 1.00 0.00 H new ATOM 525 N ALA A 33 -9.279 -11.868 8.803 1.00 0.00 N ATOM 526 CA ALA A 33 -9.273 -13.157 8.122 1.00 0.00 C ATOM 527 C ALA A 33 -9.592 -13.022 6.629 1.00 0.00 C ATOM 528 O ALA A 33 -9.425 -13.972 5.861 1.00 0.00 O ATOM 529 CB ALA A 33 -10.197 -14.163 8.791 1.00 0.00 C ATOM 0 H ALA A 33 -10.129 -11.662 9.327 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.257 -13.542 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.160 -15.108 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.877 -14.322 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.218 -13.781 8.783 1.00 0.00 H new ATOM 535 N ALA A 34 -10.021 -11.845 6.199 1.00 0.00 N ATOM 536 CA ALA A 34 -10.272 -11.622 4.778 1.00 0.00 C ATOM 537 C ALA A 34 -8.955 -11.343 4.061 1.00 0.00 C ATOM 538 O ALA A 34 -8.872 -11.328 2.839 1.00 0.00 O ATOM 539 CB ALA A 34 -11.251 -10.486 4.575 1.00 0.00 C ATOM 0 H ALA A 34 -10.201 -11.040 6.799 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.719 -12.521 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.422 -10.339 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.195 -10.727 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.842 -9.572 5.006 1.00 0.00 H new ATOM 545 N LEU A 35 -7.914 -11.195 4.856 1.00 0.00 N ATOM 546 CA LEU A 35 -6.581 -10.903 4.373 1.00 0.00 C ATOM 547 C LEU A 35 -5.851 -12.194 4.030 1.00 0.00 C ATOM 548 O LEU A 35 -4.678 -12.184 3.696 1.00 0.00 O ATOM 549 CB LEU A 35 -5.815 -10.175 5.456 1.00 0.00 C ATOM 550 CG LEU A 35 -6.451 -8.898 5.982 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.761 -8.459 7.249 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.388 -7.802 4.941 1.00 0.00 C ATOM 0 H LEU A 35 -7.972 -11.276 5.871 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.652 -10.285 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.673 -10.858 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.825 -9.932 5.071 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.499 -9.099 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.224 -7.544 7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.853 -9.241 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.706 -8.275 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.848 -6.897 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.347 -7.599 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.923 -8.119 4.046 1.00 0.00 H new ATOM 564 N LYS A 36 -6.533 -13.298 4.166 1.00 0.00 N ATOM 565 CA LYS A 36 -5.968 -14.593 3.836 1.00 0.00 C ATOM 566 C LYS A 36 -6.966 -15.384 2.996 1.00 0.00 C ATOM 567 O LYS A 36 -6.820 -16.588 2.787 1.00 0.00 O ATOM 568 CB LYS A 36 -5.542 -15.330 5.126 1.00 0.00 C ATOM 569 CG LYS A 36 -6.637 -15.446 6.170 1.00 0.00 C ATOM 570 CD LYS A 36 -6.160 -16.007 7.522 1.00 0.00 C ATOM 571 CE LYS A 36 -5.288 -15.026 8.354 1.00 0.00 C ATOM 572 NZ LYS A 36 -3.872 -14.930 7.914 1.00 0.00 N ATOM 0 H LYS A 36 -7.494 -13.334 4.507 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.066 -14.472 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.200 -16.331 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.692 -14.808 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.076 -14.461 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.428 -16.087 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.032 -16.289 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.589 -16.918 7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.737 -14.034 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.310 -15.338 9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.245 -15.031 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.669 -15.687 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.710 -14.006 7.466 1.00 0.00 H new ATOM 586 N ASP A 37 -7.937 -14.645 2.472 1.00 0.00 N ATOM 587 CA ASP A 37 -9.042 -15.161 1.642 1.00 0.00 C ATOM 588 C ASP A 37 -8.571 -15.341 0.192 1.00 0.00 C ATOM 589 O ASP A 37 -7.450 -14.998 -0.135 1.00 0.00 O ATOM 590 CB ASP A 37 -10.192 -14.137 1.711 1.00 0.00 C ATOM 591 CG ASP A 37 -11.364 -14.401 0.815 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.097 -15.375 1.032 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.524 -13.662 -0.173 1.00 0.00 O ATOM 0 H ASP A 37 -7.987 -13.636 2.612 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.377 -16.132 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.550 -14.092 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.790 -13.153 1.470 1.00 0.00 H new ATOM 598 N ARG A 38 -9.416 -15.850 -0.666 1.00 0.00 N ATOM 599 CA ARG A 38 -9.075 -16.053 -2.059 1.00 0.00 C ATOM 600 C ARG A 38 -8.960 -14.725 -2.814 1.00 0.00 C ATOM 601 O ARG A 38 -8.289 -14.638 -3.832 1.00 0.00 O ATOM 602 CB ARG A 38 -10.068 -16.992 -2.734 1.00 0.00 C ATOM 603 CG ARG A 38 -11.411 -16.401 -3.211 1.00 0.00 C ATOM 604 CD ARG A 38 -12.285 -15.963 -2.065 1.00 0.00 C ATOM 605 NE ARG A 38 -13.585 -15.438 -2.497 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.595 -15.121 -1.664 1.00 0.00 C ATOM 607 NH1 ARG A 38 -14.403 -15.101 -0.345 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.778 -14.762 -2.151 1.00 0.00 N ATOM 0 H ARG A 38 -10.364 -16.138 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.093 -16.526 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.573 -17.437 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.287 -17.802 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.219 -15.550 -3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.942 -17.145 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.446 -16.808 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.764 -15.197 -1.491 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.734 -15.304 -3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.486 -15.327 0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.173 -14.860 0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.924 -14.726 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.540 -14.523 -1.516 1.00 0.00 H new ATOM 622 N ARG A 39 -9.606 -13.677 -2.301 1.00 0.00 N ATOM 623 CA ARG A 39 -9.482 -12.369 -2.919 1.00 0.00 C ATOM 624 C ARG A 39 -8.085 -11.818 -2.606 1.00 0.00 C ATOM 625 O ARG A 39 -7.541 -10.974 -3.333 1.00 0.00 O ATOM 626 CB ARG A 39 -10.552 -11.390 -2.402 1.00 0.00 C ATOM 627 CG ARG A 39 -10.529 -10.047 -3.126 1.00 0.00 C ATOM 628 CD ARG A 39 -11.379 -8.982 -2.449 1.00 0.00 C ATOM 629 NE ARG A 39 -12.816 -9.267 -2.448 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.759 -8.345 -2.186 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.415 -7.060 -2.079 1.00 0.00 N ATOM 632 NH2 ARG A 39 -15.034 -8.703 -2.080 1.00 0.00 N ATOM 0 H ARG A 39 -10.206 -13.711 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.627 -12.474 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.537 -11.842 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.400 -11.224 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.500 -9.694 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.881 -10.187 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.043 -8.867 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.210 -8.028 -2.948 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.118 -10.218 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.441 -6.781 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.126 -6.356 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.301 -9.680 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.746 -8.000 -1.881 1.00 0.00 H new ATOM 646 N MET A 40 -7.497 -12.348 -1.542 1.00 0.00 N ATOM 647 CA MET A 40 -6.190 -11.933 -1.077 1.00 0.00 C ATOM 648 C MET A 40 -5.111 -12.167 -2.090 1.00 0.00 C ATOM 649 O MET A 40 -4.344 -11.270 -2.347 1.00 0.00 O ATOM 650 CB MET A 40 -5.835 -12.556 0.290 1.00 0.00 C ATOM 651 CG MET A 40 -4.346 -12.536 0.680 1.00 0.00 C ATOM 652 SD MET A 40 -3.571 -10.913 0.540 1.00 0.00 S ATOM 653 CE MET A 40 -4.784 -9.886 1.315 1.00 0.00 C ATOM 0 H MET A 40 -7.921 -13.083 -0.976 1.00 0.00 H new ATOM 0 HA MET A 40 -6.251 -10.854 -0.935 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.398 -12.032 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.176 -13.591 0.294 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.245 -12.888 1.707 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.806 -13.241 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.021 -9.046 0.662 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.687 -10.467 1.501 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.393 -9.511 2.261 1.00 0.00 H new ATOM 663 N GLU A 41 -5.082 -13.330 -2.714 1.00 0.00 N ATOM 664 CA GLU A 41 -4.007 -13.616 -3.675 1.00 0.00 C ATOM 665 C GLU A 41 -4.006 -12.602 -4.820 1.00 0.00 C ATOM 666 O GLU A 41 -2.961 -12.235 -5.322 1.00 0.00 O ATOM 667 CB GLU A 41 -4.071 -15.049 -4.174 1.00 0.00 C ATOM 668 CG GLU A 41 -5.385 -15.415 -4.783 1.00 0.00 C ATOM 669 CD GLU A 41 -5.864 -16.733 -4.263 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.066 -16.857 -3.047 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.988 -17.692 -5.051 1.00 0.00 O ATOM 0 H GLU A 41 -5.763 -14.078 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.056 -13.510 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.283 -15.203 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.866 -15.723 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.121 -14.642 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.288 -15.461 -5.868 1.00 0.00 H new ATOM 678 N ASN A 42 -5.184 -12.105 -5.142 1.00 0.00 N ATOM 679 CA ASN A 42 -5.369 -11.074 -6.155 1.00 0.00 C ATOM 680 C ASN A 42 -4.865 -9.714 -5.656 1.00 0.00 C ATOM 681 O ASN A 42 -4.122 -9.014 -6.350 1.00 0.00 O ATOM 682 CB ASN A 42 -6.857 -11.009 -6.551 1.00 0.00 C ATOM 683 CG ASN A 42 -7.223 -9.785 -7.369 1.00 0.00 C ATOM 684 OD1 ASN A 42 -7.769 -8.779 -6.710 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 -7.072 -9.772 -8.591 1.00 0.00 N flip ATOM 0 H ASN A 42 -6.054 -12.407 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.780 -11.329 -7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.111 -11.903 -7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.465 -11.024 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.645 -10.571 -9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.373 -8.963 -9.134 1.00 0.00 H new ATOM 692 N LEU A 43 -5.234 -9.376 -4.438 1.00 0.00 N ATOM 693 CA LEU A 43 -4.868 -8.097 -3.835 1.00 0.00 C ATOM 694 C LEU A 43 -3.387 -8.027 -3.542 1.00 0.00 C ATOM 695 O LEU A 43 -2.740 -7.010 -3.800 1.00 0.00 O ATOM 696 CB LEU A 43 -5.664 -7.891 -2.563 1.00 0.00 C ATOM 697 CG LEU A 43 -7.172 -7.826 -2.740 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.857 -7.880 -1.402 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.564 -6.564 -3.479 1.00 0.00 C ATOM 0 H LEU A 43 -5.796 -9.975 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.101 -7.304 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.431 -8.702 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.330 -6.966 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.489 -8.686 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.937 -7.833 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.598 -8.811 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.534 -7.036 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.647 -6.533 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.236 -5.693 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.091 -6.556 -4.461 1.00 0.00 H new ATOM 711 N VAL A 44 -2.842 -9.107 -3.032 1.00 0.00 N ATOM 712 CA VAL A 44 -1.451 -9.142 -2.713 1.00 0.00 C ATOM 713 C VAL A 44 -0.628 -9.222 -3.994 1.00 0.00 C ATOM 714 O VAL A 44 0.460 -8.687 -4.047 1.00 0.00 O ATOM 715 CB VAL A 44 -1.079 -10.274 -1.703 1.00 0.00 C ATOM 716 CG1 VAL A 44 -1.058 -11.660 -2.328 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.209 -9.956 -0.960 1.00 0.00 C ATOM 0 H VAL A 44 -3.349 -9.969 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.208 -8.212 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.883 -10.303 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.792 -12.397 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.044 -11.893 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.323 -11.685 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.438 -10.765 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.025 -9.850 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.089 -9.025 -0.406 1.00 0.00 H new ATOM 727 N ALA A 45 -1.184 -9.862 -5.045 1.00 0.00 N ATOM 728 CA ALA A 45 -0.519 -9.905 -6.357 1.00 0.00 C ATOM 729 C ALA A 45 -0.333 -8.483 -6.866 1.00 0.00 C ATOM 730 O ALA A 45 0.746 -8.097 -7.317 1.00 0.00 O ATOM 731 CB ALA A 45 -1.332 -10.717 -7.365 1.00 0.00 C ATOM 0 H ALA A 45 -2.080 -10.349 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 45 0.450 -10.391 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.814 -10.730 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.447 -11.738 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.315 -10.263 -7.489 1.00 0.00 H new ATOM 737 N TYR A 46 -1.396 -7.705 -6.745 1.00 0.00 N ATOM 738 CA TYR A 46 -1.394 -6.285 -7.078 1.00 0.00 C ATOM 739 C TYR A 46 -0.369 -5.546 -6.230 1.00 0.00 C ATOM 740 O TYR A 46 0.419 -4.782 -6.745 1.00 0.00 O ATOM 741 CB TYR A 46 -2.824 -5.704 -6.858 1.00 0.00 C ATOM 742 CG TYR A 46 -2.906 -4.190 -6.629 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.823 -3.655 -5.334 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.065 -3.308 -7.677 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.889 -2.297 -5.109 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.131 -1.947 -7.452 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.041 -1.448 -6.172 1.00 0.00 C ATOM 748 OH TYR A 46 -3.100 -0.084 -5.963 1.00 0.00 O ATOM 0 H TYR A 46 -2.297 -8.044 -6.409 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.117 -6.155 -8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.434 -5.954 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.271 -6.206 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.705 -4.323 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.139 -3.686 -8.686 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.821 -1.907 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.254 -1.270 -8.285 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.208 0.374 -6.822 1.00 0.00 H new ATOM 758 N ALA A 47 -0.389 -5.782 -4.949 1.00 0.00 N ATOM 759 CA ALA A 47 0.518 -5.118 -4.045 1.00 0.00 C ATOM 760 C ALA A 47 1.973 -5.434 -4.399 1.00 0.00 C ATOM 761 O ALA A 47 2.801 -4.547 -4.463 1.00 0.00 O ATOM 762 CB ALA A 47 0.188 -5.494 -2.622 1.00 0.00 C ATOM 0 H ALA A 47 -1.030 -6.436 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 47 0.397 -4.039 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.876 -4.990 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.834 -5.192 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.283 -6.573 -2.499 1.00 0.00 H new ATOM 768 N LYS A 48 2.239 -6.691 -4.694 1.00 0.00 N ATOM 769 CA LYS A 48 3.565 -7.166 -5.084 1.00 0.00 C ATOM 770 C LYS A 48 4.020 -6.573 -6.409 1.00 0.00 C ATOM 771 O LYS A 48 5.162 -6.137 -6.537 1.00 0.00 O ATOM 772 CB LYS A 48 3.551 -8.676 -5.195 1.00 0.00 C ATOM 773 CG LYS A 48 3.445 -9.401 -3.859 1.00 0.00 C ATOM 774 CD LYS A 48 3.218 -10.885 -4.063 1.00 0.00 C ATOM 775 CE LYS A 48 3.196 -11.657 -2.746 1.00 0.00 C ATOM 776 NZ LYS A 48 4.515 -11.680 -2.080 1.00 0.00 N ATOM 0 H LYS A 48 1.534 -7.428 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 48 4.267 -6.845 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.713 -8.975 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.461 -9.000 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.357 -9.245 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.625 -8.981 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.274 -11.037 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.004 -11.286 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.463 -11.206 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.870 -12.680 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.486 -12.338 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.240 -11.992 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.748 -10.726 -1.738 1.00 0.00 H new ATOM 790 N LYS A 49 3.128 -6.564 -7.398 1.00 0.00 N ATOM 791 CA LYS A 49 3.462 -6.037 -8.716 1.00 0.00 C ATOM 792 C LYS A 49 3.804 -4.538 -8.595 1.00 0.00 C ATOM 793 O LYS A 49 4.789 -4.049 -9.178 1.00 0.00 O ATOM 794 CB LYS A 49 2.295 -6.263 -9.724 1.00 0.00 C ATOM 795 CG LYS A 49 1.112 -5.391 -9.530 1.00 0.00 C ATOM 796 CD LYS A 49 0.091 -5.579 -10.620 1.00 0.00 C ATOM 797 CE LYS A 49 -0.896 -4.424 -10.648 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.266 -3.131 -11.046 1.00 0.00 N ATOM 0 H LYS A 49 2.174 -6.914 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 49 4.330 -6.572 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.675 -6.112 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.974 -7.303 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.656 -5.608 -8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.429 -4.349 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.593 -5.656 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.444 -6.516 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.702 -4.659 -11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.347 -4.314 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.008 -2.435 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.324 -2.778 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.326 -3.278 -11.888 1.00 0.00 H new ATOM 812 N VAL A 50 3.013 -3.855 -7.771 1.00 0.00 N ATOM 813 CA VAL A 50 3.158 -2.450 -7.495 1.00 0.00 C ATOM 814 C VAL A 50 4.475 -2.188 -6.778 1.00 0.00 C ATOM 815 O VAL A 50 5.289 -1.393 -7.241 1.00 0.00 O ATOM 816 CB VAL A 50 1.932 -1.939 -6.656 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.190 -0.598 -6.010 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.695 -1.842 -7.536 1.00 0.00 C ATOM 0 H VAL A 50 2.236 -4.286 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 50 3.176 -1.897 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 50 1.772 -2.666 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.311 -0.292 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.046 -0.676 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.400 0.143 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.147 -1.487 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.883 -1.145 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.461 -2.825 -7.945 1.00 0.00 H new ATOM 828 N GLU A 51 4.686 -2.915 -5.696 1.00 0.00 N ATOM 829 CA GLU A 51 5.868 -2.796 -4.856 1.00 0.00 C ATOM 830 C GLU A 51 7.117 -3.040 -5.692 1.00 0.00 C ATOM 831 O GLU A 51 8.040 -2.231 -5.681 1.00 0.00 O ATOM 832 CB GLU A 51 5.741 -3.796 -3.683 1.00 0.00 C ATOM 833 CG GLU A 51 6.793 -3.724 -2.568 1.00 0.00 C ATOM 834 CD GLU A 51 8.141 -4.308 -2.928 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.195 -5.296 -3.672 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.163 -3.815 -2.442 1.00 0.00 O ATOM 0 H GLU A 51 4.027 -3.621 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 51 5.952 -1.792 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.760 -3.657 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.760 -4.804 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.929 -2.681 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.409 -4.246 -1.692 1.00 0.00 H new ATOM 843 N GLY A 52 7.097 -4.118 -6.468 1.00 0.00 N ATOM 844 CA GLY A 52 8.208 -4.465 -7.322 1.00 0.00 C ATOM 845 C GLY A 52 8.547 -3.380 -8.319 1.00 0.00 C ATOM 846 O GLY A 52 9.724 -3.089 -8.546 1.00 0.00 O ATOM 0 H GLY A 52 6.312 -4.767 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.083 -4.671 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.973 -5.384 -7.859 1.00 0.00 H new ATOM 850 N ASP A 53 7.516 -2.763 -8.886 1.00 0.00 N ATOM 851 CA ASP A 53 7.682 -1.677 -9.860 1.00 0.00 C ATOM 852 C ASP A 53 8.433 -0.511 -9.235 1.00 0.00 C ATOM 853 O ASP A 53 9.485 -0.091 -9.720 1.00 0.00 O ATOM 854 CB ASP A 53 6.313 -1.202 -10.350 1.00 0.00 C ATOM 855 CG ASP A 53 6.393 -0.041 -11.343 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.578 -0.280 -12.566 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.256 1.128 -10.919 1.00 0.00 O ATOM 0 H ASP A 53 6.543 -2.996 -8.688 1.00 0.00 H new ATOM 0 HA ASP A 53 8.258 -2.055 -10.705 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.794 -2.037 -10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.714 -0.896 -9.492 1.00 0.00 H new ATOM 862 N MET A 54 7.923 -0.042 -8.122 1.00 0.00 N ATOM 863 CA MET A 54 8.523 1.081 -7.409 1.00 0.00 C ATOM 864 C MET A 54 9.866 0.754 -6.780 1.00 0.00 C ATOM 865 O MET A 54 10.732 1.615 -6.686 1.00 0.00 O ATOM 866 CB MET A 54 7.537 1.750 -6.433 1.00 0.00 C ATOM 867 CG MET A 54 6.665 0.828 -5.635 1.00 0.00 C ATOM 868 SD MET A 54 4.990 1.507 -5.478 1.00 0.00 S ATOM 869 CE MET A 54 4.529 1.751 -7.203 1.00 0.00 C ATOM 0 H MET A 54 7.085 -0.419 -7.679 1.00 0.00 H new ATOM 0 HA MET A 54 8.750 1.829 -8.169 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.108 2.367 -5.739 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.894 2.422 -7.002 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.623 -0.149 -6.117 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.096 0.677 -4.645 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.443 1.799 -7.286 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.963 2.682 -7.567 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.902 0.919 -7.800 1.00 0.00 H new ATOM 879 N TYR A 55 10.054 -0.488 -6.400 1.00 0.00 N ATOM 880 CA TYR A 55 11.315 -0.952 -5.855 1.00 0.00 C ATOM 881 C TYR A 55 12.392 -0.900 -6.966 1.00 0.00 C ATOM 882 O TYR A 55 13.529 -0.555 -6.737 1.00 0.00 O ATOM 883 CB TYR A 55 11.134 -2.397 -5.347 1.00 0.00 C ATOM 884 CG TYR A 55 12.335 -3.013 -4.665 1.00 0.00 C ATOM 885 CD1 TYR A 55 13.304 -3.677 -5.397 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.484 -2.947 -3.286 1.00 0.00 C ATOM 887 CE1 TYR A 55 14.392 -4.255 -4.783 1.00 0.00 C ATOM 888 CE2 TYR A 55 13.570 -3.528 -2.663 1.00 0.00 C ATOM 889 CZ TYR A 55 14.521 -4.181 -3.419 1.00 0.00 C ATOM 890 OH TYR A 55 15.611 -4.760 -2.809 1.00 0.00 O ATOM 0 H TYR A 55 9.336 -1.210 -6.459 1.00 0.00 H new ATOM 0 HA TYR A 55 11.631 -0.319 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.296 -2.414 -4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.858 -3.027 -6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.205 -3.743 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 55 11.741 -2.435 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 55 15.140 -4.764 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.675 -3.472 -1.590 1.00 0.00 H new ATOM 0 HH TYR A 55 15.907 -5.534 -3.333 1.00 0.00 H new ATOM 900 N GLU A 56 12.026 -1.235 -8.167 1.00 0.00 N ATOM 901 CA GLU A 56 12.986 -1.201 -9.259 1.00 0.00 C ATOM 902 C GLU A 56 13.157 0.195 -9.847 1.00 0.00 C ATOM 903 O GLU A 56 14.215 0.522 -10.374 1.00 0.00 O ATOM 904 CB GLU A 56 12.632 -2.225 -10.316 1.00 0.00 C ATOM 905 CG GLU A 56 12.739 -3.645 -9.797 1.00 0.00 C ATOM 906 CD GLU A 56 14.161 -4.055 -9.510 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.688 -3.734 -8.419 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.769 -4.729 -10.348 1.00 0.00 O ATOM 0 H GLU A 56 11.086 -1.533 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 56 13.958 -1.469 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.616 -2.044 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.293 -2.103 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.147 -3.740 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.309 -4.328 -10.529 1.00 0.00 H new ATOM 915 N SER A 57 12.150 1.011 -9.715 1.00 0.00 N ATOM 916 CA SER A 57 12.170 2.351 -10.261 1.00 0.00 C ATOM 917 C SER A 57 12.897 3.347 -9.322 1.00 0.00 C ATOM 918 O SER A 57 13.460 4.350 -9.774 1.00 0.00 O ATOM 919 CB SER A 57 10.718 2.799 -10.530 1.00 0.00 C ATOM 920 OG SER A 57 10.635 4.050 -11.202 1.00 0.00 O ATOM 0 H SER A 57 11.287 0.772 -9.226 1.00 0.00 H new ATOM 0 HA SER A 57 12.731 2.343 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.214 2.039 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.183 2.866 -9.582 1.00 0.00 H new ATOM 0 HG SER A 57 9.694 4.282 -11.347 1.00 0.00 H new ATOM 926 N ALA A 58 12.911 3.073 -8.038 1.00 0.00 N ATOM 927 CA ALA A 58 13.497 4.004 -7.083 1.00 0.00 C ATOM 928 C ALA A 58 15.006 3.909 -6.970 1.00 0.00 C ATOM 929 O ALA A 58 15.615 2.870 -7.259 1.00 0.00 O ATOM 930 CB ALA A 58 12.887 3.835 -5.746 1.00 0.00 C ATOM 0 H ALA A 58 12.528 2.222 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 58 13.277 4.997 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.339 4.540 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.815 4.023 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.057 2.817 -5.395 1.00 0.00 H new ATOM 936 N ASN A 59 15.597 5.006 -6.537 1.00 0.00 N ATOM 937 CA ASN A 59 17.038 5.108 -6.369 1.00 0.00 C ATOM 938 C ASN A 59 17.431 4.981 -4.896 1.00 0.00 C ATOM 939 O ASN A 59 18.616 5.036 -4.553 1.00 0.00 O ATOM 940 CB ASN A 59 17.571 6.427 -6.941 1.00 0.00 C ATOM 941 CG ASN A 59 17.196 6.643 -8.399 1.00 0.00 C ATOM 942 OD1 ASN A 59 17.921 6.234 -9.310 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.060 7.258 -8.637 1.00 0.00 N ATOM 0 H ASN A 59 15.091 5.856 -6.290 1.00 0.00 H new ATOM 0 HA ASN A 59 17.488 4.284 -6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.185 7.255 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.657 6.445 -6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.754 7.410 -9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.484 7.584 -7.861 1.00 0.00 H new ATOM 950 N SER A 60 16.446 4.812 -4.041 1.00 0.00 N ATOM 951 CA SER A 60 16.645 4.575 -2.622 1.00 0.00 C ATOM 952 C SER A 60 15.428 3.894 -2.107 1.00 0.00 C ATOM 953 O SER A 60 14.363 3.967 -2.747 1.00 0.00 O ATOM 954 CB SER A 60 16.868 5.875 -1.856 1.00 0.00 C ATOM 955 OG SER A 60 15.786 6.766 -2.032 1.00 0.00 O ATOM 0 H SER A 60 15.464 4.835 -4.315 1.00 0.00 H new ATOM 0 HA SER A 60 17.535 3.962 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.994 5.658 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.790 6.347 -2.197 1.00 0.00 H new ATOM 0 HG SER A 60 15.955 7.590 -1.529 1.00 0.00 H new ATOM 961 N ARG A 61 15.539 3.217 -0.977 1.00 0.00 N ATOM 962 CA ARG A 61 14.362 2.572 -0.448 1.00 0.00 C ATOM 963 C ARG A 61 13.425 3.608 0.095 1.00 0.00 C ATOM 964 O ARG A 61 12.272 3.411 0.091 1.00 0.00 O ATOM 965 CB ARG A 61 14.624 1.466 0.604 1.00 0.00 C ATOM 966 CG ARG A 61 14.951 1.932 2.000 1.00 0.00 C ATOM 967 CD ARG A 61 16.223 2.669 2.064 1.00 0.00 C ATOM 968 NE ARG A 61 16.476 3.118 3.441 1.00 0.00 N ATOM 969 CZ ARG A 61 17.189 4.195 3.796 1.00 0.00 C ATOM 970 NH1 ARG A 61 17.966 4.805 2.914 1.00 0.00 N ATOM 971 NH2 ARG A 61 17.151 4.629 5.047 1.00 0.00 N ATOM 0 H ARG A 61 16.394 3.105 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 61 13.914 2.043 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.742 0.827 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.447 0.845 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.146 2.570 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.000 1.070 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.039 2.031 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.189 3.528 1.393 1.00 0.00 H new ATOM 0 HE ARG A 61 16.073 2.560 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.024 4.455 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.506 5.625 3.191 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.579 4.143 5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.693 5.449 5.319 1.00 0.00 H new ATOM 985 N ASP A 62 13.976 4.734 0.527 1.00 0.00 N ATOM 986 CA ASP A 62 13.189 5.854 1.045 1.00 0.00 C ATOM 987 C ASP A 62 12.361 6.457 -0.081 1.00 0.00 C ATOM 988 O ASP A 62 11.214 6.788 0.112 1.00 0.00 O ATOM 989 CB ASP A 62 14.127 6.902 1.641 1.00 0.00 C ATOM 990 CG ASP A 62 13.432 8.196 2.028 1.00 0.00 C ATOM 991 OD1 ASP A 62 12.759 8.238 3.070 1.00 0.00 O ATOM 992 OD2 ASP A 62 13.588 9.210 1.304 1.00 0.00 O ATOM 0 H ASP A 62 14.982 4.901 0.530 1.00 0.00 H new ATOM 0 HA ASP A 62 12.514 5.502 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.612 6.483 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.914 7.124 0.920 1.00 0.00 H new ATOM 997 N GLU A 63 12.956 6.569 -1.274 1.00 0.00 N ATOM 998 CA GLU A 63 12.220 7.033 -2.448 1.00 0.00 C ATOM 999 C GLU A 63 11.129 6.054 -2.820 1.00 0.00 C ATOM 1000 O GLU A 63 9.985 6.456 -3.054 1.00 0.00 O ATOM 1001 CB GLU A 63 13.151 7.303 -3.650 1.00 0.00 C ATOM 1002 CG GLU A 63 12.410 7.541 -4.965 1.00 0.00 C ATOM 1003 CD GLU A 63 13.293 8.033 -6.079 1.00 0.00 C ATOM 1004 OE1 GLU A 63 13.958 7.210 -6.734 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.325 9.260 -6.336 1.00 0.00 O ATOM 0 H GLU A 63 13.936 6.346 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 63 11.757 7.983 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.769 8.173 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.825 6.455 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.933 6.612 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.615 8.267 -4.797 1.00 0.00 H new ATOM 1012 N TYR A 64 11.470 4.769 -2.830 1.00 0.00 N ATOM 1013 CA TYR A 64 10.532 3.737 -3.179 1.00 0.00 C ATOM 1014 C TYR A 64 9.392 3.725 -2.162 1.00 0.00 C ATOM 1015 O TYR A 64 8.232 3.761 -2.534 1.00 0.00 O ATOM 1016 CB TYR A 64 11.287 2.382 -3.330 1.00 0.00 C ATOM 1017 CG TYR A 64 10.730 1.221 -2.598 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.664 0.513 -3.105 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.256 0.851 -1.373 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.137 -0.535 -2.426 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.725 -0.199 -0.680 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.663 -0.889 -1.216 1.00 0.00 C ATOM 1023 OH TYR A 64 9.129 -1.930 -0.552 1.00 0.00 O ATOM 0 H TYR A 64 12.402 4.427 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 64 10.066 3.927 -4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.323 2.130 -4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.316 2.528 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.241 0.797 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.093 1.397 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.306 -1.087 -2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.134 -0.484 0.278 1.00 0.00 H new ATOM 0 HH TYR A 64 8.807 -2.597 -1.194 1.00 0.00 H new ATOM 1033 N TYR A 65 9.776 3.757 -0.897 1.00 0.00 N ATOM 1034 CA TYR A 65 8.902 3.876 0.254 1.00 0.00 C ATOM 1035 C TYR A 65 7.965 5.051 0.066 1.00 0.00 C ATOM 1036 O TYR A 65 6.772 4.924 0.225 1.00 0.00 O ATOM 1037 CB TYR A 65 9.848 4.136 1.472 1.00 0.00 C ATOM 1038 CG TYR A 65 9.315 4.799 2.742 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.715 6.048 2.713 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.480 4.206 3.956 1.00 0.00 C ATOM 1041 CE1 TYR A 65 8.277 6.668 3.811 1.00 0.00 C ATOM 1042 CE2 TYR A 65 9.058 4.831 5.094 1.00 0.00 C ATOM 1043 CZ TYR A 65 8.442 6.068 5.016 1.00 0.00 C ATOM 1044 OH TYR A 65 8.038 6.719 6.160 1.00 0.00 O ATOM 0 H TYR A 65 10.759 3.697 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 65 8.292 2.985 0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.268 3.174 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.675 4.749 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.597 6.542 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.948 3.235 4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.798 7.633 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.205 4.360 6.055 1.00 0.00 H new ATOM 0 HH TYR A 65 8.411 6.265 6.944 1.00 0.00 H new ATOM 1054 N HIS A 66 8.531 6.188 -0.309 1.00 0.00 N ATOM 1055 CA HIS A 66 7.798 7.427 -0.318 1.00 0.00 C ATOM 1056 C HIS A 66 6.837 7.490 -1.456 1.00 0.00 C ATOM 1057 O HIS A 66 5.681 7.760 -1.249 1.00 0.00 O ATOM 1058 CB HIS A 66 8.743 8.630 -0.323 1.00 0.00 C ATOM 1059 CG HIS A 66 8.074 9.921 0.025 1.00 0.00 C ATOM 1060 ND1 HIS A 66 7.799 10.914 -0.873 1.00 0.00 N ATOM 1061 CD2 HIS A 66 7.650 10.375 1.225 1.00 0.00 C ATOM 1062 CE1 HIS A 66 7.232 11.927 -0.212 1.00 0.00 C ATOM 1063 NE2 HIS A 66 7.118 11.648 1.074 1.00 0.00 N ATOM 0 H HIS A 66 9.502 6.269 -0.611 1.00 0.00 H new ATOM 0 HA HIS A 66 7.215 7.466 0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.552 8.448 0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.197 8.720 -1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.715 9.832 2.156 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.910 12.851 -0.668 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.722 12.243 1.802 1.00 0.00 H new ATOM 1071 N LEU A 67 7.297 7.191 -2.651 1.00 0.00 N ATOM 1072 CA LEU A 67 6.431 7.264 -3.804 1.00 0.00 C ATOM 1073 C LEU A 67 5.344 6.178 -3.731 1.00 0.00 C ATOM 1074 O LEU A 67 4.220 6.351 -4.248 1.00 0.00 O ATOM 1075 CB LEU A 67 7.239 7.282 -5.136 1.00 0.00 C ATOM 1076 CG LEU A 67 7.985 6.013 -5.573 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.051 5.050 -6.259 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.147 6.349 -6.486 1.00 0.00 C ATOM 0 H LEU A 67 8.254 6.899 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 67 5.904 8.218 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.548 7.549 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.971 8.086 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 67 8.379 5.538 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.603 4.159 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.252 4.768 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.622 5.525 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.656 5.431 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.776 6.858 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.846 7.000 -5.961 1.00 0.00 H new ATOM 1090 N LEU A 68 5.666 5.060 -3.088 1.00 0.00 N ATOM 1091 CA LEU A 68 4.687 4.027 -2.900 1.00 0.00 C ATOM 1092 C LEU A 68 3.698 4.492 -1.843 1.00 0.00 C ATOM 1093 O LEU A 68 2.487 4.290 -1.996 1.00 0.00 O ATOM 1094 CB LEU A 68 5.346 2.661 -2.555 1.00 0.00 C ATOM 1095 CG LEU A 68 5.534 2.242 -1.100 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.250 1.648 -0.559 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.650 1.241 -1.000 1.00 0.00 C ATOM 0 H LEU A 68 6.587 4.859 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 68 4.148 3.853 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.753 1.885 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.330 2.650 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 68 5.790 3.120 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.395 1.352 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.453 2.390 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.976 0.774 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.781 0.945 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.407 0.364 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.573 1.688 -1.369 1.00 0.00 H new ATOM 1109 N ALA A 69 4.216 5.157 -0.778 1.00 0.00 N ATOM 1110 CA ALA A 69 3.387 5.710 0.252 1.00 0.00 C ATOM 1111 C ALA A 69 2.448 6.758 -0.342 1.00 0.00 C ATOM 1112 O ALA A 69 1.313 6.860 0.064 1.00 0.00 O ATOM 1113 CB ALA A 69 4.241 6.270 1.385 1.00 0.00 C ATOM 0 H ALA A 69 5.215 5.308 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 69 2.769 4.922 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.594 6.685 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.849 5.472 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.892 7.054 0.997 1.00 0.00 H new ATOM 1119 N GLU A 70 2.930 7.482 -1.344 1.00 0.00 N ATOM 1120 CA GLU A 70 2.129 8.456 -2.094 1.00 0.00 C ATOM 1121 C GLU A 70 0.978 7.762 -2.846 1.00 0.00 C ATOM 1122 O GLU A 70 -0.172 8.222 -2.807 1.00 0.00 O ATOM 1123 CB GLU A 70 3.007 9.200 -3.107 1.00 0.00 C ATOM 1124 CG GLU A 70 4.109 10.052 -2.496 1.00 0.00 C ATOM 1125 CD GLU A 70 3.611 11.318 -1.849 1.00 0.00 C ATOM 1126 OE1 GLU A 70 3.074 11.258 -0.741 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.794 12.407 -2.459 1.00 0.00 O ATOM 0 H GLU A 70 3.895 7.413 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 70 1.712 9.163 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.461 8.470 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.370 9.840 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.642 9.460 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.828 10.311 -3.273 1.00 0.00 H new ATOM 1134 N LYS A 71 1.270 6.651 -3.535 1.00 0.00 N ATOM 1135 CA LYS A 71 0.217 5.983 -4.296 1.00 0.00 C ATOM 1136 C LYS A 71 -0.780 5.272 -3.392 1.00 0.00 C ATOM 1137 O LYS A 71 -1.985 5.279 -3.657 1.00 0.00 O ATOM 1138 CB LYS A 71 0.750 5.104 -5.472 1.00 0.00 C ATOM 1139 CG LYS A 71 1.490 3.795 -5.139 1.00 0.00 C ATOM 1140 CD LYS A 71 0.550 2.612 -4.808 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.452 2.259 -5.943 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.193 1.883 -7.238 1.00 0.00 N ATOM 0 H LYS A 71 2.190 6.213 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.344 6.773 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.099 4.852 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.422 5.721 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.121 3.520 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.152 3.969 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.155 1.733 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.011 2.850 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.082 1.434 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.108 3.113 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.111 2.543 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.227 1.928 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.087 0.916 -7.497 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.297 4.692 -2.312 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.191 4.051 -1.370 1.00 0.00 C ATOM 1158 C ILE A 72 -2.068 5.128 -0.691 1.00 0.00 C ATOM 1159 O ILE A 72 -3.257 4.943 -0.516 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.434 3.147 -0.328 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.391 2.377 0.525 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.493 3.908 0.548 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.738 1.637 1.676 1.00 0.00 C ATOM 0 H ILE A 72 0.692 4.651 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.836 3.365 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 72 0.163 2.459 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.137 3.063 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.921 1.659 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.982 3.224 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.247 4.404 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.068 4.655 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.500 1.104 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.012 0.924 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.232 2.350 2.327 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.452 6.273 -0.398 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.111 7.461 0.159 1.00 0.00 C ATOM 1177 C TYR A 73 -3.296 7.887 -0.696 1.00 0.00 C ATOM 1178 O TYR A 73 -4.442 7.991 -0.197 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.046 8.589 0.226 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.523 10.023 0.304 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.823 10.720 -0.854 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.629 10.684 1.501 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.218 12.024 -0.816 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.029 12.000 1.546 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.318 12.659 0.377 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.734 13.961 0.405 1.00 0.00 O ATOM 0 H TYR A 73 -0.452 6.407 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.505 7.243 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.416 8.400 1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.410 8.498 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.742 10.220 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.396 10.166 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.450 12.548 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.115 12.510 2.494 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.135 14.195 -0.458 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.035 8.094 -1.985 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.048 8.591 -2.883 1.00 0.00 C ATOM 1198 C LYS A 74 -5.151 7.578 -3.045 1.00 0.00 C ATOM 1199 O LYS A 74 -6.298 7.943 -3.141 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.452 9.036 -4.232 1.00 0.00 C ATOM 1201 CG LYS A 74 -2.888 7.919 -5.090 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.138 8.451 -6.315 1.00 0.00 C ATOM 1203 CE LYS A 74 -0.881 9.242 -5.939 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.175 9.776 -7.126 1.00 0.00 N ATOM 0 H LYS A 74 -2.129 7.922 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.487 9.485 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.226 9.553 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.660 9.760 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.213 7.308 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.700 7.270 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.858 7.615 -6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.804 9.089 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.157 10.067 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.205 8.599 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.668 10.303 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.113 8.989 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.809 10.412 -7.650 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.791 6.302 -3.004 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.761 5.231 -3.088 1.00 0.00 C ATOM 1220 C ILE A 75 -6.695 5.241 -1.884 1.00 0.00 C ATOM 1221 O ILE A 75 -7.911 5.172 -2.051 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.060 3.833 -3.289 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.967 3.456 -4.781 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.752 2.713 -2.508 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.439 4.540 -5.706 1.00 0.00 C ATOM 0 H ILE A 75 -3.825 5.987 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.376 5.403 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.051 3.941 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.325 2.580 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.959 3.163 -5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.230 1.772 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.734 2.947 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.785 2.621 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.416 4.166 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.090 5.413 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.431 4.820 -5.400 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.123 5.420 -0.690 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.905 5.382 0.544 1.00 0.00 C ATOM 1239 C GLN A 76 -7.940 6.454 0.552 1.00 0.00 C ATOM 1240 O GLN A 76 -9.142 6.198 0.766 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.030 5.527 1.781 1.00 0.00 C ATOM 1242 CG GLN A 76 -4.985 4.458 1.879 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.421 4.296 3.267 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.089 4.552 4.258 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.199 3.845 3.353 1.00 0.00 N ATOM 0 H GLN A 76 -5.127 5.592 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.388 4.405 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.545 6.503 1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.659 5.498 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.415 3.510 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.173 4.690 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.670 3.642 2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.774 3.696 4.268 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.512 7.655 0.277 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.413 8.719 0.308 1.00 0.00 C ATOM 1256 C LYS A 77 -9.354 8.703 -0.888 1.00 0.00 C ATOM 1257 O LYS A 77 -10.487 9.118 -0.753 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.676 10.006 0.456 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.598 10.229 -0.579 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.013 11.601 -0.444 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.589 11.913 0.989 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.288 13.354 1.202 1.00 0.00 N ATOM 0 H LYS A 77 -6.551 7.897 0.034 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.056 8.608 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.390 10.828 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.224 10.040 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.814 9.481 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.014 10.102 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.150 11.692 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.745 12.339 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.382 11.608 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.708 11.322 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.581 13.632 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.266 13.515 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.806 13.924 0.503 1.00 0.00 H new ATOM 1276 N GLU A 78 -8.897 8.161 -2.035 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.729 8.102 -3.236 1.00 0.00 C ATOM 1278 C GLU A 78 -10.938 7.245 -2.961 1.00 0.00 C ATOM 1279 O GLU A 78 -12.067 7.699 -3.140 1.00 0.00 O ATOM 1280 CB GLU A 78 -8.972 7.529 -4.453 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.683 7.786 -5.766 1.00 0.00 C ATOM 1282 CD GLU A 78 -8.992 7.176 -6.944 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -7.923 7.680 -7.351 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -9.520 6.203 -7.521 1.00 0.00 O ATOM 0 H GLU A 78 -7.964 7.764 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.021 9.123 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.975 7.968 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.842 6.455 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.697 7.392 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.768 8.862 -5.921 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.696 6.028 -2.468 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.771 5.087 -2.185 1.00 0.00 C ATOM 1293 C LEU A 79 -12.707 5.643 -1.170 1.00 0.00 C ATOM 1294 O LEU A 79 -13.909 5.625 -1.369 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.234 3.704 -1.762 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.385 3.591 -0.481 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.235 3.279 0.743 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.328 2.546 -0.669 1.00 0.00 C ATOM 0 H LEU A 79 -9.762 5.675 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.327 4.937 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.090 3.039 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.637 3.317 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.914 4.558 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.595 3.208 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.967 4.073 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.753 2.331 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.729 2.468 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.799 1.585 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.686 2.824 -1.505 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.145 6.205 -0.121 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.882 6.744 0.941 1.00 0.00 C ATOM 1312 C GLU A 80 -13.816 7.862 0.460 1.00 0.00 C ATOM 1313 O GLU A 80 -15.031 7.759 0.616 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.857 7.217 1.937 1.00 0.00 C ATOM 1315 CG GLU A 80 -12.338 8.076 3.025 1.00 0.00 C ATOM 1316 CD GLU A 80 -13.361 7.440 3.937 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -14.564 7.517 3.661 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -12.986 6.907 5.004 1.00 0.00 O ATOM 0 H GLU A 80 -11.135 6.289 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.548 6.012 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.384 6.340 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.081 7.758 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.484 8.389 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.771 8.978 2.591 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.279 8.851 -0.228 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.098 9.967 -0.637 1.00 0.00 C ATOM 1327 C GLU A 81 -15.075 9.613 -1.752 1.00 0.00 C ATOM 1328 O GLU A 81 -16.172 10.166 -1.799 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.278 11.211 -0.986 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.304 11.050 -2.135 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.595 12.327 -2.433 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -10.676 12.715 -1.681 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -12.003 13.024 -3.373 1.00 0.00 O ATOM 0 H GLU A 81 -12.300 8.903 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.697 10.216 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.965 12.022 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.721 11.517 -0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.576 10.277 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.839 10.714 -3.023 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.695 8.728 -2.663 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.605 8.354 -3.726 1.00 0.00 C ATOM 1342 C LYS A 82 -16.718 7.403 -3.242 1.00 0.00 C ATOM 1343 O LYS A 82 -17.882 7.574 -3.602 1.00 0.00 O ATOM 1344 CB LYS A 82 -14.865 7.854 -5.006 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.147 6.500 -4.939 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.061 5.293 -5.214 1.00 0.00 C ATOM 1347 CE LYS A 82 -15.496 5.180 -6.692 1.00 0.00 C ATOM 1348 NZ LYS A 82 -16.454 6.230 -7.146 1.00 0.00 N ATOM 0 H LYS A 82 -13.785 8.268 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.117 9.267 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.593 7.806 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.129 8.609 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.331 6.497 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.699 6.386 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.542 4.379 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.949 5.368 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.607 5.223 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.951 4.202 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.064 5.843 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -17.042 6.534 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.925 7.045 -7.517 1.00 0.00 H new ATOM 1587 N THR B 110 0.782 11.152 7.999 1.00 0.00 N ATOM 1588 CA THR B 110 0.080 10.167 8.781 1.00 0.00 C ATOM 1589 C THR B 110 0.269 8.758 8.186 1.00 0.00 C ATOM 1590 O THR B 110 0.464 7.772 8.921 1.00 0.00 O ATOM 1591 CB THR B 110 -1.415 10.520 8.801 1.00 0.00 C ATOM 1592 OG1 THR B 110 -1.574 11.869 9.276 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.170 9.573 9.699 1.00 0.00 C ATOM 0 HA THR B 110 0.482 10.168 9.794 1.00 0.00 H new ATOM 0 HB THR B 110 -1.815 10.432 7.791 1.00 0.00 H new ATOM 0 HG1 THR B 110 -0.750 12.373 9.112 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.227 9.838 9.701 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.052 8.553 9.333 1.00 0.00 H new ATOM 0 HG23 THR B 110 -1.777 9.642 10.713 1.00 0.00 H new ATOM 1601 N LEU B 111 0.254 8.696 6.869 1.00 0.00 N ATOM 1602 CA LEU B 111 0.396 7.458 6.130 1.00 0.00 C ATOM 1603 C LEU B 111 1.790 6.851 6.339 1.00 0.00 C ATOM 1604 O LEU B 111 1.928 5.702 6.804 1.00 0.00 O ATOM 1605 CB LEU B 111 0.118 7.684 4.616 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.356 7.921 4.152 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.214 6.732 4.471 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -1.985 9.182 4.738 1.00 0.00 C ATOM 0 H LEU B 111 0.141 9.517 6.274 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.342 6.752 6.512 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.708 8.543 4.296 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.499 6.817 4.077 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.306 8.063 3.072 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.235 6.920 4.139 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.822 5.853 3.959 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.209 6.558 5.547 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.007 9.282 4.373 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -1.993 9.113 5.826 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.404 10.053 4.434 1.00 0.00 H new ATOM 1620 N GLN B 112 2.819 7.634 6.061 1.00 0.00 N ATOM 1621 CA GLN B 112 4.180 7.135 6.176 1.00 0.00 C ATOM 1622 C GLN B 112 4.621 6.974 7.633 1.00 0.00 C ATOM 1623 O GLN B 112 5.501 6.149 7.951 1.00 0.00 O ATOM 1624 CB GLN B 112 5.184 7.898 5.263 1.00 0.00 C ATOM 1625 CG GLN B 112 5.275 9.424 5.422 1.00 0.00 C ATOM 1626 CD GLN B 112 5.973 9.902 6.684 1.00 0.00 C ATOM 1627 OE1 GLN B 112 5.655 10.958 7.209 1.00 0.00 O ATOM 1628 NE2 GLN B 112 6.945 9.160 7.160 1.00 0.00 N ATOM 0 H GLN B 112 2.741 8.605 5.758 1.00 0.00 H new ATOM 0 HA GLN B 112 4.184 6.121 5.777 1.00 0.00 H new ATOM 0 HB2 GLN B 112 6.177 7.483 5.436 1.00 0.00 H new ATOM 0 HB3 GLN B 112 4.925 7.683 4.226 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.800 9.833 4.559 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.266 9.836 5.406 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.189 8.283 6.701 1.00 0.00 H new ATOM 0 HE22 GLN B 112 7.457 9.461 7.989 1.00 0.00 H new ATOM 1637 N ASP B 113 3.994 7.746 8.514 1.00 0.00 N ATOM 1638 CA ASP B 113 4.179 7.604 9.961 1.00 0.00 C ATOM 1639 C ASP B 113 3.763 6.221 10.379 1.00 0.00 C ATOM 1640 O ASP B 113 4.533 5.495 11.016 1.00 0.00 O ATOM 1641 CB ASP B 113 3.329 8.634 10.725 1.00 0.00 C ATOM 1642 CG ASP B 113 3.274 8.385 12.221 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.226 8.746 12.938 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.258 7.826 12.709 1.00 0.00 O ATOM 0 H ASP B 113 3.344 8.487 8.250 1.00 0.00 H new ATOM 0 HA ASP B 113 5.230 7.773 10.195 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.732 9.631 10.545 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.315 8.624 10.326 1.00 0.00 H new ATOM 1649 N LEU B 114 2.554 5.842 9.963 1.00 0.00 N ATOM 1650 CA LEU B 114 1.964 4.549 10.282 1.00 0.00 C ATOM 1651 C LEU B 114 2.865 3.435 9.791 1.00 0.00 C ATOM 1652 O LEU B 114 3.142 2.490 10.515 1.00 0.00 O ATOM 1653 CB LEU B 114 0.578 4.422 9.625 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.204 3.138 9.927 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.562 3.052 11.402 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.452 3.058 9.065 1.00 0.00 C ATOM 0 H LEU B 114 1.953 6.433 9.389 1.00 0.00 H new ATOM 0 HA LEU B 114 1.853 4.471 11.364 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.028 5.273 9.938 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.703 4.500 8.545 1.00 0.00 H new ATOM 0 HG LEU B 114 0.435 2.288 9.687 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.116 2.132 11.589 1.00 0.00 H new ATOM 0 HD12 LEU B 114 0.350 3.054 11.999 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.177 3.908 11.678 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -1.994 2.140 9.293 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.091 3.917 9.269 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.168 3.059 8.013 1.00 0.00 H new ATOM 1668 N LEU B 115 3.338 3.579 8.566 1.00 0.00 N ATOM 1669 CA LEU B 115 4.229 2.606 7.950 1.00 0.00 C ATOM 1670 C LEU B 115 5.483 2.357 8.780 1.00 0.00 C ATOM 1671 O LEU B 115 5.721 1.238 9.261 1.00 0.00 O ATOM 1672 CB LEU B 115 4.677 3.091 6.589 1.00 0.00 C ATOM 1673 CG LEU B 115 3.621 3.218 5.489 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.266 3.660 4.184 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.850 1.915 5.305 1.00 0.00 C ATOM 0 H LEU B 115 3.116 4.375 7.967 1.00 0.00 H new ATOM 0 HA LEU B 115 3.660 1.679 7.874 1.00 0.00 H new ATOM 0 HB2 LEU B 115 5.143 4.068 6.719 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.452 2.413 6.231 1.00 0.00 H new ATOM 0 HG LEU B 115 2.904 3.980 5.795 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.502 3.746 3.411 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.749 4.627 4.326 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.010 2.924 3.878 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.108 2.040 4.516 1.00 0.00 H new ATOM 0 HD22 LEU B 115 3.542 1.119 5.030 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.349 1.654 6.237 1.00 0.00 H new ATOM 1687 N THR B 116 6.251 3.414 8.962 1.00 0.00 N ATOM 1688 CA THR B 116 7.540 3.360 9.625 1.00 0.00 C ATOM 1689 C THR B 116 7.409 2.859 11.052 1.00 0.00 C ATOM 1690 O THR B 116 8.203 2.026 11.517 1.00 0.00 O ATOM 1691 CB THR B 116 8.165 4.767 9.653 1.00 0.00 C ATOM 1692 OG1 THR B 116 8.097 5.324 8.341 1.00 0.00 O ATOM 1693 CG2 THR B 116 9.620 4.708 10.089 1.00 0.00 C ATOM 0 H THR B 116 5.993 4.350 8.648 1.00 0.00 H new ATOM 0 HA THR B 116 8.173 2.669 9.068 1.00 0.00 H new ATOM 0 HB THR B 116 7.614 5.382 10.365 1.00 0.00 H new ATOM 0 HG1 THR B 116 7.227 5.758 8.214 1.00 0.00 H new ATOM 0 HG21 THR B 116 10.038 5.715 10.100 1.00 0.00 H new ATOM 0 HG22 THR B 116 9.683 4.278 11.088 1.00 0.00 H new ATOM 0 HG23 THR B 116 10.184 4.089 9.391 1.00 0.00 H new ATOM 1701 N SER B 117 6.387 3.310 11.715 1.00 0.00 N ATOM 1702 CA SER B 117 6.247 2.997 13.112 1.00 0.00 C ATOM 1703 C SER B 117 5.746 1.588 13.330 1.00 0.00 C ATOM 1704 O SER B 117 6.173 0.911 14.250 1.00 0.00 O ATOM 1705 CB SER B 117 5.399 4.034 13.849 1.00 0.00 C ATOM 1706 OG SER B 117 4.115 4.187 13.260 1.00 0.00 O ATOM 0 H SER B 117 5.645 3.889 11.321 1.00 0.00 H new ATOM 0 HA SER B 117 7.245 3.043 13.548 1.00 0.00 H new ATOM 0 HB2 SER B 117 5.287 3.736 14.891 1.00 0.00 H new ATOM 0 HB3 SER B 117 5.916 4.994 13.846 1.00 0.00 H new ATOM 0 HG SER B 117 4.175 4.804 12.501 1.00 0.00 H new ATOM 1712 N ASP B 118 4.893 1.125 12.462 1.00 0.00 N ATOM 1713 CA ASP B 118 4.345 -0.192 12.629 1.00 0.00 C ATOM 1714 C ASP B 118 5.400 -1.256 12.329 1.00 0.00 C ATOM 1715 O ASP B 118 5.661 -2.099 13.164 1.00 0.00 O ATOM 1716 CB ASP B 118 3.089 -0.374 11.780 1.00 0.00 C ATOM 1717 CG ASP B 118 2.294 -1.601 12.151 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.842 -1.695 13.317 1.00 0.00 O ATOM 1719 OD2 ASP B 118 2.025 -2.436 11.264 1.00 0.00 O ATOM 0 H ASP B 118 4.564 1.632 11.640 1.00 0.00 H new ATOM 0 HA ASP B 118 4.046 -0.314 13.670 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.456 0.507 11.886 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.374 -0.437 10.730 1.00 0.00 H new ATOM 1724 N SER B 119 6.078 -1.137 11.188 1.00 0.00 N ATOM 1725 CA SER B 119 7.076 -2.136 10.775 1.00 0.00 C ATOM 1726 C SER B 119 8.328 -2.097 11.635 1.00 0.00 C ATOM 1727 O SER B 119 8.721 -3.102 12.241 1.00 0.00 O ATOM 1728 CB SER B 119 7.487 -1.901 9.310 1.00 0.00 C ATOM 1729 OG SER B 119 8.423 -2.877 8.849 1.00 0.00 O ATOM 0 H SER B 119 5.959 -0.364 10.533 1.00 0.00 H new ATOM 0 HA SER B 119 6.606 -3.112 10.894 1.00 0.00 H new ATOM 0 HB2 SER B 119 6.600 -1.924 8.677 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.923 -0.907 9.212 1.00 0.00 H new ATOM 0 HG SER B 119 8.655 -2.692 7.915 1.00 0.00 H new ATOM 1958 N MET B 141 -14.617 1.293 -5.947 1.00 0.00 N ATOM 1959 CA MET B 141 -13.277 1.607 -6.381 1.00 0.00 C ATOM 1960 C MET B 141 -12.717 0.433 -7.169 1.00 0.00 C ATOM 1961 O MET B 141 -11.875 0.618 -8.063 1.00 0.00 O ATOM 1962 CB MET B 141 -12.345 1.913 -5.205 1.00 0.00 C ATOM 1963 CG MET B 141 -11.036 2.531 -5.666 1.00 0.00 C ATOM 1964 SD MET B 141 -9.774 2.647 -4.404 1.00 0.00 S ATOM 1965 CE MET B 141 -8.562 3.638 -5.259 1.00 0.00 C ATOM 0 HA MET B 141 -13.332 2.500 -7.004 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.844 2.592 -4.514 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.139 0.994 -4.656 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.646 1.943 -6.497 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.238 3.531 -6.050 1.00 0.00 H new ATOM 0 HE1 MET B 141 -7.903 4.113 -4.533 1.00 0.00 H new ATOM 0 HE2 MET B 141 -7.974 3.003 -5.921 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.068 4.405 -5.846 1.00 0.00 H new ATOM 1975 N GLU B 142 -13.224 -0.778 -6.859 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.776 -2.025 -7.492 1.00 0.00 C ATOM 1977 C GLU B 142 -12.709 -1.978 -9.023 1.00 0.00 C ATOM 1978 O GLU B 142 -11.931 -2.691 -9.613 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.564 -3.245 -7.045 1.00 0.00 C ATOM 1980 CG GLU B 142 -13.263 -3.708 -5.632 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.859 -5.061 -5.372 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -15.040 -5.146 -5.002 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -13.166 -6.075 -5.587 1.00 0.00 O ATOM 0 H GLU B 142 -13.956 -0.914 -6.162 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.752 -2.126 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.628 -3.022 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.360 -4.065 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -12.184 -3.746 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.660 -2.988 -4.917 1.00 0.00 H new ATOM 1990 N SER B 143 -13.527 -1.154 -9.642 1.00 0.00 N ATOM 1991 CA SER B 143 -13.516 -0.970 -11.087 1.00 0.00 C ATOM 1992 C SER B 143 -12.109 -0.526 -11.596 1.00 0.00 C ATOM 1993 O SER B 143 -11.432 -1.244 -12.383 1.00 0.00 O ATOM 1994 CB SER B 143 -14.581 0.065 -11.423 1.00 0.00 C ATOM 1995 OG SER B 143 -14.505 1.160 -10.495 1.00 0.00 O ATOM 0 H SER B 143 -14.224 -0.587 -9.159 1.00 0.00 H new ATOM 0 HA SER B 143 -13.735 -1.913 -11.588 1.00 0.00 H new ATOM 0 HB2 SER B 143 -14.440 0.428 -12.441 1.00 0.00 H new ATOM 0 HB3 SER B 143 -15.570 -0.391 -11.382 1.00 0.00 H new ATOM 0 HG SER B 143 -15.191 1.824 -10.716 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.642 0.608 -11.101 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.329 1.103 -11.479 1.00 0.00 C ATOM 2003 C ILE B 144 -9.222 0.258 -10.872 1.00 0.00 C ATOM 2004 O ILE B 144 -8.116 0.183 -11.405 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.132 2.651 -11.269 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.519 3.160 -9.853 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.897 3.426 -12.328 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.548 2.838 -8.732 1.00 0.00 C ATOM 0 H ILE B 144 -12.148 1.199 -10.442 1.00 0.00 H new ATOM 0 HA ILE B 144 -10.261 0.985 -12.561 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.061 2.828 -11.368 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.640 4.242 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.491 2.742 -9.593 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.753 4.495 -12.172 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.530 3.151 -13.317 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.959 3.189 -12.257 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.927 3.245 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.442 1.757 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.577 3.281 -8.953 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.551 -0.403 -9.773 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.657 -1.360 -9.140 1.00 0.00 C ATOM 2022 C ILE B 145 -8.403 -2.515 -10.073 1.00 0.00 C ATOM 2023 O ILE B 145 -7.274 -2.904 -10.271 1.00 0.00 O ATOM 2024 CB ILE B 145 -9.255 -1.889 -7.816 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -9.285 -0.803 -6.734 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.648 -3.219 -7.336 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.968 -0.070 -6.548 1.00 0.00 C ATOM 0 H ILE B 145 -10.445 -0.291 -9.295 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.719 -0.852 -8.917 1.00 0.00 H new ATOM 0 HB ILE B 145 -10.292 -2.142 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -10.059 -0.078 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.571 -1.259 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -9.123 -3.519 -6.402 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.813 -3.988 -8.091 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.577 -3.093 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -8.077 0.680 -5.765 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.193 -0.781 -6.264 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.688 0.418 -7.482 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.467 -3.020 -10.656 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.424 -4.132 -11.573 1.00 0.00 C ATOM 2041 C ARG B 146 -8.550 -3.768 -12.757 1.00 0.00 C ATOM 2042 O ARG B 146 -7.710 -4.557 -13.190 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.841 -4.461 -12.034 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.972 -5.740 -12.822 1.00 0.00 C ATOM 2045 CD ARG B 146 -12.399 -5.928 -13.289 1.00 0.00 C ATOM 2046 NE ARG B 146 -12.586 -7.213 -13.958 1.00 0.00 N ATOM 2047 CZ ARG B 146 -13.118 -7.385 -15.174 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -13.519 -6.338 -15.891 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -13.245 -8.609 -15.670 1.00 0.00 N ATOM 0 H ARG B 146 -10.408 -2.659 -10.500 1.00 0.00 H new ATOM 0 HA ARG B 146 -9.003 -5.009 -11.080 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.487 -4.523 -11.158 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -11.210 -3.636 -12.644 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -10.302 -5.716 -13.681 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -10.670 -6.587 -12.206 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -13.073 -5.862 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -12.668 -5.121 -13.970 1.00 0.00 H new ATOM 0 HE ARG B 146 -12.286 -8.049 -13.457 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -13.422 -5.395 -15.515 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -13.923 -6.479 -16.817 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -12.938 -9.415 -15.125 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -13.650 -8.744 -16.596 1.00 0.00 H new ATOM 2063 N SER B 147 -8.714 -2.551 -13.239 1.00 0.00 N ATOM 2064 CA SER B 147 -7.911 -2.070 -14.341 1.00 0.00 C ATOM 2065 C SER B 147 -6.417 -1.927 -13.945 1.00 0.00 C ATOM 2066 O SER B 147 -5.529 -2.189 -14.753 1.00 0.00 O ATOM 2067 CB SER B 147 -8.483 -0.752 -14.842 1.00 0.00 C ATOM 2068 OG SER B 147 -9.862 -0.908 -15.170 1.00 0.00 O ATOM 0 H SER B 147 -9.395 -1.880 -12.884 1.00 0.00 H new ATOM 0 HA SER B 147 -7.948 -2.803 -15.147 1.00 0.00 H new ATOM 0 HB2 SER B 147 -8.368 0.017 -14.078 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.929 -0.416 -15.718 1.00 0.00 H new ATOM 0 HG SER B 147 -10.391 -0.952 -14.346 1.00 0.00 H new ATOM 2074 N GLU B 148 -6.157 -1.561 -12.692 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.789 -1.365 -12.208 1.00 0.00 C ATOM 2076 C GLU B 148 -4.136 -2.737 -11.961 1.00 0.00 C ATOM 2077 O GLU B 148 -3.043 -3.005 -12.435 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.822 -0.509 -10.915 1.00 0.00 C ATOM 2079 CG GLU B 148 -3.638 0.458 -10.711 1.00 0.00 C ATOM 2080 CD GLU B 148 -2.313 -0.167 -10.282 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -1.717 -0.936 -11.058 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -1.817 0.183 -9.183 1.00 0.00 O ATOM 0 H GLU B 148 -6.877 -1.393 -11.990 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.194 -0.835 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.744 0.072 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -4.867 -1.182 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.474 0.998 -11.644 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -3.925 1.196 -9.962 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.856 -3.629 -11.276 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.343 -4.955 -10.947 1.00 0.00 C ATOM 2091 C LEU B 149 -4.151 -5.816 -12.176 1.00 0.00 C ATOM 2092 O LEU B 149 -3.347 -6.749 -12.156 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.177 -5.670 -9.848 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.663 -5.967 -10.114 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.877 -7.142 -11.070 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.374 -6.215 -8.815 1.00 0.00 C ATOM 0 H LEU B 149 -5.802 -3.452 -10.938 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.354 -4.798 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.686 -6.618 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.119 -5.063 -8.944 1.00 0.00 H new ATOM 0 HG LEU B 149 -7.081 -5.088 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.945 -7.301 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.407 -6.921 -12.029 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.431 -8.042 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.426 -6.425 -9.010 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -6.922 -7.068 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.292 -5.332 -8.181 1.00 0.00 H new ATOM 2108 N MET B 150 -4.913 -5.513 -13.238 1.00 0.00 N ATOM 2109 CA MET B 150 -4.771 -6.202 -14.513 1.00 0.00 C ATOM 2110 C MET B 150 -3.344 -6.016 -14.984 1.00 0.00 C ATOM 2111 O MET B 150 -2.684 -6.972 -15.396 1.00 0.00 O ATOM 2112 CB MET B 150 -5.741 -5.625 -15.549 1.00 0.00 C ATOM 2113 CG MET B 150 -5.799 -6.409 -16.858 1.00 0.00 C ATOM 2114 SD MET B 150 -6.468 -8.086 -16.656 1.00 0.00 S ATOM 2115 CE MET B 150 -8.131 -7.731 -16.060 1.00 0.00 C ATOM 0 H MET B 150 -5.634 -4.792 -13.230 1.00 0.00 H new ATOM 0 HA MET B 150 -5.001 -7.260 -14.391 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.740 -5.590 -15.115 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.452 -4.597 -15.767 1.00 0.00 H new ATOM 0 HG2 MET B 150 -6.413 -5.863 -17.574 1.00 0.00 H new ATOM 0 HG3 MET B 150 -4.796 -6.473 -17.281 1.00 0.00 H new ATOM 0 HE1 MET B 150 -8.765 -8.605 -16.209 1.00 0.00 H new ATOM 0 HE2 MET B 150 -8.093 -7.487 -14.998 1.00 0.00 H new ATOM 0 HE3 MET B 150 -8.543 -6.886 -16.612 1.00 0.00 H new