USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 781 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 65 TYR OH : rot 150:sc= -0.517 USER MOD Set 1.2: B 141 MET CE :methyl -129:sc= -0.86 (180deg=-2.7) USER MOD Set 2.1: A 54 MET CE :methyl 162:sc= -1.46 (180deg=-2.6!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -148:sc= -0.131 (180deg=-0.634) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0.606 K(o=-0.65,f=-11!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -159:sc= -1.25 (180deg=-3.17!) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= 2.41 (180deg=1.54) USER MOD Single : A 7 HIS :FLIP no HE2:sc= 0.307 F(o=-1.2,f=0.31) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.39 F(o=-1.3,f=-0.39) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0191 F(o=-1.8,f=-0.019) USER MOD Single : A 16 SER OG : rot 100:sc= 1.22 USER MOD Single : A 20 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-5.3!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 29 THR OG1 : rot -90:sc= -1.22 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.682 (180deg=-2.26!) USER MOD Single : A 40 MET CE :methyl 154:sc= -6.99! (180deg=-7.44!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0258 (180deg=-0.222) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 165:sc= -1.23 USER MOD Single : A 57 SER OG : rot 84:sc= 1.2 USER MOD Single : A 59 ASN : amide:sc= 0.742 K(o=0.74,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.205 USER MOD Single : A 64 TYR OH : rot 45:sc= 0.675 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= -1.4 (180deg=-3.56!) USER MOD Single : A 76 GLN : amide:sc= -0.94 K(o=-0.94,f=-3.3!) USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= 1.18 (180deg=-0.211) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= 0.038 (180deg=-0.672) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 143 SER OG : rot 180:sc= 0.0205 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.849 4.948 10.176 1.00 0.00 N ATOM 51 CA LYS A 4 -19.720 5.111 8.780 1.00 0.00 C ATOM 52 C LYS A 4 -20.246 3.906 8.013 1.00 0.00 C ATOM 53 O LYS A 4 -19.618 2.858 7.954 1.00 0.00 O ATOM 54 CB LYS A 4 -18.275 5.482 8.436 1.00 0.00 C ATOM 55 CG LYS A 4 -17.174 4.537 8.948 1.00 0.00 C ATOM 56 CD LYS A 4 -15.798 5.172 8.750 1.00 0.00 C ATOM 57 CE LYS A 4 -15.569 6.294 9.744 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.444 7.163 9.381 1.00 0.00 N ATOM 0 HA LYS A 4 -20.351 5.939 8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.190 5.546 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.077 6.479 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.334 4.320 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.224 3.587 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.024 4.414 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.715 5.559 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.475 6.895 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.387 5.866 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.697 8.155 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.611 6.907 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.225 7.044 8.371 1.00 0.00 H new ATOM 72 N GLY A 5 -21.412 4.087 7.416 1.00 0.00 N ATOM 73 CA GLY A 5 -22.097 3.012 6.716 1.00 0.00 C ATOM 74 C GLY A 5 -21.479 2.683 5.374 1.00 0.00 C ATOM 75 O GLY A 5 -21.814 1.663 4.753 1.00 0.00 O ATOM 0 H GLY A 5 -21.909 4.978 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.090 2.119 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.141 3.290 6.569 1.00 0.00 H new ATOM 79 N TRP A 6 -20.552 3.522 4.933 1.00 0.00 N ATOM 80 CA TRP A 6 -19.882 3.337 3.655 1.00 0.00 C ATOM 81 C TRP A 6 -18.957 2.123 3.648 1.00 0.00 C ATOM 82 O TRP A 6 -18.433 1.763 2.604 1.00 0.00 O ATOM 83 CB TRP A 6 -19.111 4.601 3.212 1.00 0.00 C ATOM 84 CG TRP A 6 -18.004 5.029 4.130 1.00 0.00 C ATOM 85 CD1 TRP A 6 -18.083 5.966 5.100 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.647 4.549 4.148 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.869 6.107 5.714 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.977 5.244 5.152 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.942 3.604 3.413 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.641 5.022 5.439 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.614 3.389 3.704 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.982 4.093 4.703 1.00 0.00 C ATOM 0 H TRP A 6 -20.245 4.346 5.449 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.676 3.153 2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.692 4.423 2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.819 5.424 3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.974 6.522 5.353 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.664 6.756 6.473 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.428 3.047 2.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.140 5.570 6.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.059 2.655 3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.939 3.902 4.905 1.00 0.00 H new ATOM 103 N HIS A 7 -18.758 1.499 4.812 1.00 0.00 N ATOM 104 CA HIS A 7 -17.892 0.311 4.934 1.00 0.00 C ATOM 105 C HIS A 7 -18.388 -0.848 4.051 1.00 0.00 C ATOM 106 O HIS A 7 -17.610 -1.674 3.604 1.00 0.00 O ATOM 107 CB HIS A 7 -17.758 -0.147 6.412 1.00 0.00 C ATOM 108 CG HIS A 7 -19.012 -0.687 7.059 1.00 0.00 C ATOM 109 ND1 HIS A 7 -20.113 -0.044 7.494 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -19.206 -2.015 7.373 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -20.980 -0.955 8.078 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -20.385 -2.131 7.978 1.00 0.00 N flip ATOM 0 H HIS A 7 -19.185 1.794 5.690 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.903 0.602 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.987 -0.916 6.464 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.405 0.699 7.002 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -20.283 0.958 7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.519 -2.822 7.164 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.942 -0.747 8.522 1.00 0.00 H new ATOM 120 N GLU A 8 -19.688 -0.855 3.774 1.00 0.00 N ATOM 121 CA GLU A 8 -20.309 -1.889 2.944 1.00 0.00 C ATOM 122 C GLU A 8 -20.224 -1.520 1.477 1.00 0.00 C ATOM 123 O GLU A 8 -20.715 -2.240 0.599 1.00 0.00 O ATOM 124 CB GLU A 8 -21.764 -2.043 3.315 1.00 0.00 C ATOM 125 CG GLU A 8 -21.992 -2.430 4.742 1.00 0.00 C ATOM 126 CD GLU A 8 -23.441 -2.619 5.038 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.119 -1.644 5.382 1.00 0.00 O ATOM 128 OE2 GLU A 8 -23.939 -3.754 4.928 1.00 0.00 O ATOM 0 H GLU A 8 -20.340 -0.149 4.115 1.00 0.00 H new ATOM 0 HA GLU A 8 -19.776 -2.824 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.280 -1.103 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.215 -2.796 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -21.453 -3.352 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -21.584 -1.660 5.397 1.00 0.00 H new ATOM 135 N HIS A 9 -19.629 -0.392 1.219 1.00 0.00 N ATOM 136 CA HIS A 9 -19.499 0.115 -0.119 1.00 0.00 C ATOM 137 C HIS A 9 -18.089 -0.069 -0.602 1.00 0.00 C ATOM 138 O HIS A 9 -17.724 0.355 -1.694 1.00 0.00 O ATOM 139 CB HIS A 9 -19.906 1.582 -0.177 1.00 0.00 C ATOM 140 CG HIS A 9 -21.359 1.830 0.129 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.025 1.782 1.311 1.00 0.00 N flip ATOM 142 CD2 HIS A 9 -22.298 2.170 -0.810 1.00 0.00 C flip ATOM 143 CE1 HIS A 9 -23.358 2.091 1.099 1.00 0.00 C flip ATOM 144 NE2 HIS A 9 -23.469 2.313 -0.195 1.00 0.00 N flip ATOM 0 H HIS A 9 -19.217 0.207 1.934 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.166 -0.444 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.296 2.145 0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.684 1.970 -1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.118 2.299 -1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.143 2.140 1.839 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.340 2.562 -0.664 1.00 0.00 H new ATOM 152 N VAL A 10 -17.302 -0.686 0.228 1.00 0.00 N ATOM 153 CA VAL A 10 -15.951 -1.009 -0.094 1.00 0.00 C ATOM 154 C VAL A 10 -15.906 -2.487 -0.006 1.00 0.00 C ATOM 155 O VAL A 10 -16.358 -3.055 0.994 1.00 0.00 O ATOM 156 CB VAL A 10 -14.942 -0.479 0.940 1.00 0.00 C ATOM 157 CG1 VAL A 10 -13.570 -0.191 0.404 1.00 0.00 C ATOM 158 CG2 VAL A 10 -15.483 0.547 1.868 1.00 0.00 C ATOM 0 H VAL A 10 -17.588 -0.982 1.161 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.687 -0.578 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.773 -1.340 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.935 0.177 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.141 -1.105 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.637 0.564 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.701 0.861 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.829 1.408 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.317 0.126 2.430 1.00 0.00 H new ATOM 168 N THR A 11 -15.424 -3.123 -1.000 1.00 0.00 N ATOM 169 CA THR A 11 -15.375 -4.535 -0.963 1.00 0.00 C ATOM 170 C THR A 11 -14.209 -4.952 -0.090 1.00 0.00 C ATOM 171 O THR A 11 -13.204 -4.214 0.001 1.00 0.00 O ATOM 172 CB THR A 11 -15.124 -5.098 -2.342 1.00 0.00 C ATOM 173 OG1 THR A 11 -15.847 -4.366 -3.328 1.00 0.00 O ATOM 174 CG2 THR A 11 -15.540 -6.536 -2.376 1.00 0.00 C ATOM 0 H THR A 11 -15.057 -2.693 -1.849 1.00 0.00 H new ATOM 0 HA THR A 11 -16.326 -4.906 -0.580 1.00 0.00 H new ATOM 0 HB THR A 11 -14.060 -5.015 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.669 -4.746 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.359 -6.944 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.963 -7.099 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.601 -6.613 -2.139 1.00 0.00 H new ATOM 182 N GLN A 12 -14.315 -6.113 0.535 1.00 0.00 N ATOM 183 CA GLN A 12 -13.227 -6.656 1.296 1.00 0.00 C ATOM 184 C GLN A 12 -12.050 -6.882 0.365 1.00 0.00 C ATOM 185 O GLN A 12 -10.910 -6.669 0.731 1.00 0.00 O ATOM 186 CB GLN A 12 -13.632 -7.956 2.041 1.00 0.00 C ATOM 187 CG GLN A 12 -12.500 -8.567 2.878 1.00 0.00 C ATOM 188 CD GLN A 12 -11.803 -9.786 2.247 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.861 -9.937 0.941 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -11.265 -10.619 2.964 1.00 0.00 N flip ATOM 0 H GLN A 12 -15.154 -6.693 0.523 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.942 -5.946 2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.479 -7.742 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.970 -8.692 1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.751 -7.797 3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.904 -8.861 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.233 -10.479 3.974 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.848 -11.454 2.552 1.00 0.00 H new ATOM 199 N ASP A 13 -12.341 -7.279 -0.852 1.00 0.00 N ATOM 200 CA ASP A 13 -11.300 -7.487 -1.835 1.00 0.00 C ATOM 201 C ASP A 13 -10.719 -6.167 -2.325 1.00 0.00 C ATOM 202 O ASP A 13 -9.561 -6.113 -2.631 1.00 0.00 O ATOM 203 CB ASP A 13 -11.770 -8.333 -3.019 1.00 0.00 C ATOM 204 CG ASP A 13 -10.610 -8.763 -3.890 1.00 0.00 C ATOM 205 OD1 ASP A 13 -9.717 -9.489 -3.378 1.00 0.00 O ATOM 206 OD2 ASP A 13 -10.540 -8.383 -5.080 1.00 0.00 O ATOM 0 H ASP A 13 -13.287 -7.464 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.513 -8.044 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.296 -9.214 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.482 -7.762 -3.615 1.00 0.00 H new ATOM 211 N LEU A 14 -11.516 -5.082 -2.297 1.00 0.00 N ATOM 212 CA LEU A 14 -11.046 -3.773 -2.803 1.00 0.00 C ATOM 213 C LEU A 14 -10.007 -3.259 -1.848 1.00 0.00 C ATOM 214 O LEU A 14 -8.883 -2.946 -2.235 1.00 0.00 O ATOM 215 CB LEU A 14 -12.243 -2.772 -2.936 1.00 0.00 C ATOM 216 CG LEU A 14 -11.977 -1.326 -3.486 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.392 -0.422 -2.434 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.060 -1.338 -4.693 1.00 0.00 C ATOM 0 H LEU A 14 -12.470 -5.081 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.612 -3.881 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.988 -3.236 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.696 -2.669 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.951 -0.938 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.224 0.568 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.083 -0.345 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.444 -0.834 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.903 -0.317 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.102 -1.779 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.515 -1.927 -5.490 1.00 0.00 H new ATOM 230 N ARG A 15 -10.372 -3.216 -0.591 1.00 0.00 N ATOM 231 CA ARG A 15 -9.446 -2.836 0.436 1.00 0.00 C ATOM 232 C ARG A 15 -8.209 -3.713 0.491 1.00 0.00 C ATOM 233 O ARG A 15 -7.104 -3.214 0.472 1.00 0.00 O ATOM 234 CB ARG A 15 -10.121 -2.789 1.760 1.00 0.00 C ATOM 235 CG ARG A 15 -10.955 -3.963 2.119 1.00 0.00 C ATOM 236 CD ARG A 15 -11.861 -3.594 3.226 1.00 0.00 C ATOM 237 NE ARG A 15 -11.079 -2.945 4.318 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.206 -3.155 5.623 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.222 -3.860 6.100 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.310 -2.628 6.457 1.00 0.00 N ATOM 0 H ARG A 15 -11.309 -3.441 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.096 -1.837 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.358 -2.665 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.751 -1.900 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.532 -4.292 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.320 -4.798 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.634 -2.915 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.368 -4.481 3.606 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.372 -2.268 4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.917 -4.248 5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.309 -4.014 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.538 -2.071 6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.396 -2.782 7.462 1.00 0.00 H new ATOM 254 N SER A 16 -8.399 -5.014 0.486 1.00 0.00 N ATOM 255 CA SER A 16 -7.296 -5.940 0.592 1.00 0.00 C ATOM 256 C SER A 16 -6.395 -5.906 -0.663 1.00 0.00 C ATOM 257 O SER A 16 -5.226 -6.302 -0.622 1.00 0.00 O ATOM 258 CB SER A 16 -7.831 -7.322 0.875 1.00 0.00 C ATOM 259 OG SER A 16 -8.670 -7.304 2.026 1.00 0.00 O ATOM 0 H SER A 16 -9.315 -5.456 0.409 1.00 0.00 H new ATOM 0 HA SER A 16 -6.658 -5.639 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.392 -7.685 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.004 -8.014 1.031 1.00 0.00 H new ATOM 0 HG SER A 16 -9.609 -7.285 1.746 1.00 0.00 H new ATOM 265 N HIS A 17 -6.956 -5.425 -1.755 1.00 0.00 N ATOM 266 CA HIS A 17 -6.253 -5.217 -3.017 1.00 0.00 C ATOM 267 C HIS A 17 -5.281 -4.063 -2.816 1.00 0.00 C ATOM 268 O HIS A 17 -4.098 -4.138 -3.161 1.00 0.00 O ATOM 269 CB HIS A 17 -7.311 -4.858 -4.082 1.00 0.00 C ATOM 270 CG HIS A 17 -6.867 -4.660 -5.492 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.106 -5.562 -6.497 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.309 -3.589 -6.080 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.708 -5.024 -7.635 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.212 -3.820 -7.440 1.00 0.00 N ATOM 0 H HIS A 17 -7.940 -5.159 -1.796 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.702 -6.101 -3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.064 -5.647 -4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.807 -3.943 -3.760 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.519 -6.488 -6.385 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.988 -2.692 -5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.780 -5.507 -8.598 1.00 0.00 H new ATOM 282 N LEU A 18 -5.799 -3.013 -2.228 1.00 0.00 N ATOM 283 CA LEU A 18 -5.032 -1.828 -1.890 1.00 0.00 C ATOM 284 C LEU A 18 -3.980 -2.176 -0.845 1.00 0.00 C ATOM 285 O LEU A 18 -2.857 -1.729 -0.929 1.00 0.00 O ATOM 286 CB LEU A 18 -5.977 -0.727 -1.381 1.00 0.00 C ATOM 287 CG LEU A 18 -6.759 0.117 -2.431 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.142 -0.674 -3.651 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.030 0.586 -1.826 1.00 0.00 C ATOM 0 H LEU A 18 -6.782 -2.952 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.520 -1.456 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.707 -1.194 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.390 -0.040 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.098 0.933 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.684 -0.032 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.243 -1.054 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.777 -1.510 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.583 1.178 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.629 -0.274 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.812 1.199 -0.951 1.00 0.00 H new ATOM 301 N VAL A 19 -4.369 -3.003 0.115 1.00 0.00 N ATOM 302 CA VAL A 19 -3.465 -3.538 1.149 1.00 0.00 C ATOM 303 C VAL A 19 -2.280 -4.272 0.484 1.00 0.00 C ATOM 304 O VAL A 19 -1.114 -4.025 0.805 1.00 0.00 O ATOM 305 CB VAL A 19 -4.221 -4.556 2.072 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.299 -5.238 3.004 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.300 -3.905 2.873 1.00 0.00 C ATOM 0 H VAL A 19 -5.330 -3.331 0.208 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.104 -2.701 1.747 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.669 -5.284 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.860 -5.935 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.546 -5.784 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.810 -4.499 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.793 -4.652 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.866 -3.133 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.030 -3.454 2.201 1.00 0.00 H new ATOM 317 N HIS A 20 -2.610 -5.164 -0.435 1.00 0.00 N ATOM 318 CA HIS A 20 -1.637 -5.931 -1.213 1.00 0.00 C ATOM 319 C HIS A 20 -0.662 -4.978 -1.915 1.00 0.00 C ATOM 320 O HIS A 20 0.558 -5.165 -1.888 1.00 0.00 O ATOM 321 CB HIS A 20 -2.414 -6.806 -2.229 1.00 0.00 C ATOM 322 CG HIS A 20 -1.601 -7.517 -3.266 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.639 -7.190 -4.598 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.759 -8.572 -3.165 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.850 -8.020 -5.255 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.284 -8.891 -4.436 1.00 0.00 N ATOM 0 H HIS A 20 -3.578 -5.383 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.046 -6.578 -0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.981 -7.551 -1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.138 -6.172 -2.741 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.185 -6.434 -5.011 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.498 -9.083 -2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.688 -7.992 -6.322 1.00 0.00 H new ATOM 334 N LYS A 21 -1.215 -3.939 -2.484 1.00 0.00 N ATOM 335 CA LYS A 21 -0.448 -2.930 -3.156 1.00 0.00 C ATOM 336 C LYS A 21 0.385 -2.086 -2.203 1.00 0.00 C ATOM 337 O LYS A 21 1.511 -1.710 -2.539 1.00 0.00 O ATOM 338 CB LYS A 21 -1.348 -2.120 -4.083 1.00 0.00 C ATOM 339 CG LYS A 21 -1.552 -2.860 -5.376 1.00 0.00 C ATOM 340 CD LYS A 21 -2.741 -2.418 -6.204 1.00 0.00 C ATOM 341 CE LYS A 21 -2.676 -3.191 -7.528 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.812 -2.967 -8.431 1.00 0.00 N ATOM 0 H LYS A 21 -2.221 -3.770 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 21 0.295 -3.423 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.309 -1.938 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.900 -1.146 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.651 -2.753 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.662 -3.921 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.674 -2.626 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.709 -1.343 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.758 -2.916 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.611 -4.256 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.880 -3.756 -9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.690 -2.909 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.672 -2.078 -8.952 1.00 0.00 H new ATOM 356 N LEU A 22 -0.154 -1.799 -1.019 1.00 0.00 N ATOM 357 CA LEU A 22 0.575 -1.077 0.027 1.00 0.00 C ATOM 358 C LEU A 22 1.860 -1.804 0.355 1.00 0.00 C ATOM 359 O LEU A 22 2.914 -1.183 0.458 1.00 0.00 O ATOM 360 CB LEU A 22 -0.291 -0.899 1.281 1.00 0.00 C ATOM 361 CG LEU A 22 -1.402 0.147 1.191 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.315 0.057 2.398 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.789 1.511 1.174 1.00 0.00 C ATOM 0 H LEU A 22 -1.105 -2.059 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 22 0.821 -0.082 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.744 -1.860 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.361 -0.635 2.113 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.977 -0.034 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.100 0.809 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 -0.935 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.737 0.232 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.576 2.263 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.215 1.663 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.129 1.602 0.312 1.00 0.00 H new ATOM 375 N VAL A 23 1.751 -3.121 0.501 1.00 0.00 N ATOM 376 CA VAL A 23 2.900 -4.001 0.655 1.00 0.00 C ATOM 377 C VAL A 23 3.855 -3.801 -0.489 1.00 0.00 C ATOM 378 O VAL A 23 4.976 -3.495 -0.266 1.00 0.00 O ATOM 379 CB VAL A 23 2.509 -5.501 0.674 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.764 -6.377 0.515 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.843 -5.822 1.978 1.00 0.00 C ATOM 0 H VAL A 23 0.855 -3.609 0.516 1.00 0.00 H new ATOM 0 HA VAL A 23 3.355 -3.744 1.611 1.00 0.00 H new ATOM 0 HB VAL A 23 1.827 -5.703 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.478 -7.429 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.251 -6.147 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.454 -6.177 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.566 -6.876 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.530 -5.613 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.948 -5.210 2.090 1.00 0.00 H new ATOM 391 N GLN A 24 3.372 -3.950 -1.709 1.00 0.00 N ATOM 392 CA GLN A 24 4.226 -3.853 -2.886 1.00 0.00 C ATOM 393 C GLN A 24 4.981 -2.510 -2.966 1.00 0.00 C ATOM 394 O GLN A 24 6.062 -2.439 -3.543 1.00 0.00 O ATOM 395 CB GLN A 24 3.437 -4.089 -4.161 1.00 0.00 C ATOM 396 CG GLN A 24 2.786 -5.454 -4.254 1.00 0.00 C ATOM 397 CD GLN A 24 2.227 -5.700 -5.626 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.803 -4.767 -6.321 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.248 -6.929 -6.048 1.00 0.00 N ATOM 0 H GLN A 24 2.391 -4.139 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 24 4.974 -4.640 -2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.663 -3.325 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.103 -3.959 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.518 -6.225 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.988 -5.530 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.605 -7.669 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.907 -7.153 -6.983 1.00 0.00 H new ATOM 408 N ALA A 25 4.394 -1.448 -2.434 1.00 0.00 N ATOM 409 CA ALA A 25 5.071 -0.171 -2.380 1.00 0.00 C ATOM 410 C ALA A 25 6.041 -0.093 -1.196 1.00 0.00 C ATOM 411 O ALA A 25 7.153 0.357 -1.342 1.00 0.00 O ATOM 412 CB ALA A 25 4.073 0.927 -2.282 1.00 0.00 C ATOM 0 H ALA A 25 3.455 -1.450 -2.037 1.00 0.00 H new ATOM 0 HA ALA A 25 5.651 -0.064 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.590 1.886 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.419 0.903 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.477 0.798 -1.378 1.00 0.00 H new ATOM 418 N ILE A 26 5.615 -0.529 -0.017 1.00 0.00 N ATOM 419 CA ILE A 26 6.504 -0.466 1.150 1.00 0.00 C ATOM 420 C ILE A 26 7.630 -1.491 1.015 1.00 0.00 C ATOM 421 O ILE A 26 8.758 -1.267 1.412 1.00 0.00 O ATOM 422 CB ILE A 26 5.775 -0.701 2.526 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.797 -0.524 3.679 1.00 0.00 C ATOM 424 CG2 ILE A 26 5.080 -2.061 2.582 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.330 -0.987 5.031 1.00 0.00 C ATOM 0 H ILE A 26 4.690 -0.920 0.161 1.00 0.00 H new ATOM 0 HA ILE A 26 6.895 0.551 1.161 1.00 0.00 H new ATOM 0 HB ILE A 26 4.985 0.041 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.707 -1.067 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.064 0.531 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.591 -2.180 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.335 -2.122 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.818 -2.852 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.118 -0.819 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.440 -0.428 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.093 -2.050 4.990 1.00 0.00 H new ATOM 437 N PHE A 27 7.304 -2.575 0.446 1.00 0.00 N ATOM 438 CA PHE A 27 8.169 -3.670 0.269 1.00 0.00 C ATOM 439 C PHE A 27 8.007 -4.226 -1.117 1.00 0.00 C ATOM 440 O PHE A 27 7.125 -5.075 -1.345 1.00 0.00 O ATOM 441 CB PHE A 27 7.855 -4.747 1.288 1.00 0.00 C ATOM 442 CG PHE A 27 8.619 -4.649 2.576 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.845 -5.263 2.699 1.00 0.00 C ATOM 444 CD2 PHE A 27 8.111 -3.957 3.663 1.00 0.00 C ATOM 445 CE1 PHE A 27 10.554 -5.194 3.875 1.00 0.00 C ATOM 446 CE2 PHE A 27 8.816 -3.884 4.848 1.00 0.00 C ATOM 447 CZ PHE A 27 10.040 -4.504 4.954 1.00 0.00 C ATOM 0 H PHE A 27 6.371 -2.736 0.067 1.00 0.00 H new ATOM 0 HA PHE A 27 9.197 -3.336 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.789 -4.713 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.055 -5.720 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.255 -5.806 1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.151 -3.468 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.515 -5.681 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.408 -3.342 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.596 -4.451 5.878 1.00 0.00 H new ATOM 457 N PRO A 28 8.768 -3.684 -2.089 1.00 0.00 N ATOM 458 CA PRO A 28 8.767 -4.175 -3.442 1.00 0.00 C ATOM 459 C PRO A 28 8.829 -5.659 -3.507 1.00 0.00 C ATOM 460 O PRO A 28 9.649 -6.314 -2.840 1.00 0.00 O ATOM 461 CB PRO A 28 9.996 -3.624 -4.066 1.00 0.00 C ATOM 462 CG PRO A 28 10.480 -2.527 -3.171 1.00 0.00 C ATOM 463 CD PRO A 28 9.607 -2.493 -1.956 1.00 0.00 C ATOM 0 HA PRO A 28 7.848 -3.873 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.755 -4.398 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.785 -3.243 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.519 -2.698 -2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.445 -1.570 -3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.197 -2.521 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.007 -1.584 -1.921 1.00 0.00 H new ATOM 471 N THR A 29 8.000 -6.177 -4.297 1.00 0.00 N ATOM 472 CA THR A 29 7.833 -7.528 -4.387 1.00 0.00 C ATOM 473 C THR A 29 8.759 -8.146 -5.442 1.00 0.00 C ATOM 474 O THR A 29 8.665 -7.824 -6.621 1.00 0.00 O ATOM 475 CB THR A 29 6.427 -7.769 -4.754 1.00 0.00 C ATOM 476 OG1 THR A 29 5.593 -6.940 -3.927 1.00 0.00 O ATOM 477 CG2 THR A 29 6.124 -9.148 -4.472 1.00 0.00 C ATOM 0 H THR A 29 7.399 -5.639 -4.921 1.00 0.00 H new ATOM 0 HA THR A 29 8.083 -7.992 -3.433 1.00 0.00 H new ATOM 0 HB THR A 29 6.258 -7.544 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.354 -7.427 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.086 -9.354 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.781 -9.792 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.275 -9.344 -3.410 1.00 0.00 H new ATOM 485 N PRO A 30 9.659 -9.035 -5.017 1.00 0.00 N ATOM 486 CA PRO A 30 10.583 -9.714 -5.919 1.00 0.00 C ATOM 487 C PRO A 30 9.890 -10.827 -6.708 1.00 0.00 C ATOM 488 O PRO A 30 10.211 -11.089 -7.853 1.00 0.00 O ATOM 489 CB PRO A 30 11.629 -10.308 -4.975 1.00 0.00 C ATOM 490 CG PRO A 30 10.928 -10.480 -3.665 1.00 0.00 C ATOM 491 CD PRO A 30 9.851 -9.429 -3.612 1.00 0.00 C ATOM 0 HA PRO A 30 11.000 -9.039 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.001 -11.262 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.490 -9.647 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.499 -11.479 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.624 -10.363 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.931 -9.823 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.153 -8.580 -2.998 1.00 0.00 H new ATOM 499 N ASP A 31 8.918 -11.445 -6.094 1.00 0.00 N ATOM 500 CA ASP A 31 8.215 -12.552 -6.691 1.00 0.00 C ATOM 501 C ASP A 31 6.854 -12.583 -6.087 1.00 0.00 C ATOM 502 O ASP A 31 6.716 -12.267 -4.904 1.00 0.00 O ATOM 503 CB ASP A 31 8.901 -13.860 -6.323 1.00 0.00 C ATOM 504 CG ASP A 31 8.369 -15.057 -7.079 1.00 0.00 C ATOM 505 OD1 ASP A 31 7.354 -15.622 -6.662 1.00 0.00 O ATOM 506 OD2 ASP A 31 8.975 -15.457 -8.097 1.00 0.00 O ATOM 0 H ASP A 31 8.589 -11.195 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 31 8.190 -12.438 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.970 -13.766 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.782 -14.034 -5.254 1.00 0.00 H new ATOM 511 N PRO A 32 5.826 -12.938 -6.849 1.00 0.00 N ATOM 512 CA PRO A 32 4.474 -13.068 -6.332 1.00 0.00 C ATOM 513 C PRO A 32 4.353 -14.042 -5.145 1.00 0.00 C ATOM 514 O PRO A 32 3.433 -13.935 -4.336 1.00 0.00 O ATOM 515 CB PRO A 32 3.665 -13.584 -7.508 1.00 0.00 C ATOM 516 CG PRO A 32 4.658 -14.013 -8.530 1.00 0.00 C ATOM 517 CD PRO A 32 5.872 -13.188 -8.295 1.00 0.00 C ATOM 0 HA PRO A 32 4.128 -12.111 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.028 -14.416 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.010 -12.807 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.883 -15.075 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.272 -13.860 -9.538 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.781 -13.715 -8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.846 -12.260 -8.866 1.00 0.00 H new ATOM 525 N ALA A 33 5.277 -14.972 -5.014 1.00 0.00 N ATOM 526 CA ALA A 33 5.214 -15.902 -3.912 1.00 0.00 C ATOM 527 C ALA A 33 5.617 -15.244 -2.593 1.00 0.00 C ATOM 528 O ALA A 33 5.329 -15.766 -1.514 1.00 0.00 O ATOM 529 CB ALA A 33 6.013 -17.162 -4.178 1.00 0.00 C ATOM 0 H ALA A 33 6.067 -15.101 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 33 4.172 -16.206 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.935 -17.830 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.621 -17.661 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.059 -16.902 -4.341 1.00 0.00 H new ATOM 535 N ALA A 34 6.228 -14.063 -2.676 1.00 0.00 N ATOM 536 CA ALA A 34 6.583 -13.302 -1.482 1.00 0.00 C ATOM 537 C ALA A 34 5.329 -12.729 -0.857 1.00 0.00 C ATOM 538 O ALA A 34 5.305 -12.352 0.309 1.00 0.00 O ATOM 539 CB ALA A 34 7.564 -12.182 -1.810 1.00 0.00 C ATOM 0 H ALA A 34 6.486 -13.615 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 34 7.070 -13.975 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.808 -11.634 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.474 -12.608 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.112 -11.502 -2.532 1.00 0.00 H new ATOM 545 N LEU A 35 4.263 -12.735 -1.634 1.00 0.00 N ATOM 546 CA LEU A 35 3.009 -12.161 -1.228 1.00 0.00 C ATOM 547 C LEU A 35 2.156 -13.180 -0.488 1.00 0.00 C ATOM 548 O LEU A 35 1.027 -12.886 -0.075 1.00 0.00 O ATOM 549 CB LEU A 35 2.264 -11.673 -2.438 1.00 0.00 C ATOM 550 CG LEU A 35 3.058 -10.788 -3.377 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.445 -10.818 -4.746 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.099 -9.375 -2.848 1.00 0.00 C ATOM 0 H LEU A 35 4.250 -13.142 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 35 3.215 -11.328 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.906 -12.538 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.384 -11.123 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 35 4.080 -11.163 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.020 -10.180 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.450 -11.840 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.418 -10.456 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.672 -8.747 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.083 -8.988 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.571 -9.368 -1.866 1.00 0.00 H new ATOM 564 N LYS A 36 2.669 -14.380 -0.357 1.00 0.00 N ATOM 565 CA LYS A 36 1.989 -15.422 0.388 1.00 0.00 C ATOM 566 C LYS A 36 2.986 -16.106 1.325 1.00 0.00 C ATOM 567 O LYS A 36 2.735 -17.182 1.857 1.00 0.00 O ATOM 568 CB LYS A 36 1.324 -16.426 -0.573 1.00 0.00 C ATOM 569 CG LYS A 36 2.288 -17.112 -1.532 1.00 0.00 C ATOM 570 CD LYS A 36 1.599 -18.082 -2.508 1.00 0.00 C ATOM 571 CE LYS A 36 0.859 -17.395 -3.679 1.00 0.00 C ATOM 572 NZ LYS A 36 -0.361 -16.646 -3.295 1.00 0.00 N ATOM 0 H LYS A 36 3.562 -14.664 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 36 1.195 -14.984 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.811 -17.188 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.562 -15.905 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.821 -16.352 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.034 -17.659 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.348 -18.760 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.887 -18.692 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.548 -16.709 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.586 -18.154 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.072 -16.730 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.746 -17.038 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.123 -15.644 -3.153 1.00 0.00 H new ATOM 586 N ASP A 37 4.095 -15.432 1.532 1.00 0.00 N ATOM 587 CA ASP A 37 5.209 -15.931 2.341 1.00 0.00 C ATOM 588 C ASP A 37 4.961 -15.581 3.799 1.00 0.00 C ATOM 589 O ASP A 37 4.009 -14.862 4.119 1.00 0.00 O ATOM 590 CB ASP A 37 6.469 -15.201 1.895 1.00 0.00 C ATOM 591 CG ASP A 37 7.765 -15.766 2.408 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.291 -16.717 1.819 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.285 -15.234 3.391 1.00 0.00 O ATOM 0 H ASP A 37 4.261 -14.505 1.141 1.00 0.00 H new ATOM 0 HA ASP A 37 5.308 -17.010 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.500 -15.200 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.396 -14.161 2.213 1.00 0.00 H new ATOM 598 N ARG A 38 5.794 -16.065 4.671 1.00 0.00 N ATOM 599 CA ARG A 38 5.724 -15.697 6.065 1.00 0.00 C ATOM 600 C ARG A 38 6.191 -14.257 6.266 1.00 0.00 C ATOM 601 O ARG A 38 5.790 -13.590 7.210 1.00 0.00 O ATOM 602 CB ARG A 38 6.499 -16.662 6.945 1.00 0.00 C ATOM 603 CG ARG A 38 8.031 -16.598 6.899 1.00 0.00 C ATOM 604 CD ARG A 38 8.602 -17.218 5.648 1.00 0.00 C ATOM 605 NE ARG A 38 10.064 -17.261 5.668 1.00 0.00 N ATOM 606 CZ ARG A 38 10.839 -17.598 4.629 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.310 -17.789 3.423 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.152 -17.683 4.784 1.00 0.00 N ATOM 0 H ARG A 38 6.540 -16.723 4.444 1.00 0.00 H new ATOM 0 HA ARG A 38 4.680 -15.760 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.188 -16.499 7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.198 -17.675 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.349 -15.557 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.438 -17.109 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.212 -18.230 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.269 -16.650 4.779 1.00 0.00 H new ATOM 0 HE ARG A 38 10.530 -17.015 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.306 -17.679 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.909 -18.045 2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.572 -17.492 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.743 -17.940 3.993 1.00 0.00 H new ATOM 622 N ARG A 39 7.036 -13.782 5.353 1.00 0.00 N ATOM 623 CA ARG A 39 7.499 -12.399 5.360 1.00 0.00 C ATOM 624 C ARG A 39 6.283 -11.508 5.155 1.00 0.00 C ATOM 625 O ARG A 39 6.125 -10.445 5.783 1.00 0.00 O ATOM 626 CB ARG A 39 8.447 -12.183 4.189 1.00 0.00 C ATOM 627 CG ARG A 39 9.305 -10.942 4.291 1.00 0.00 C ATOM 628 CD ARG A 39 10.410 -11.162 5.302 1.00 0.00 C ATOM 629 NE ARG A 39 11.390 -10.072 5.332 1.00 0.00 N ATOM 630 CZ ARG A 39 12.723 -10.255 5.420 1.00 0.00 C ATOM 631 NH1 ARG A 39 13.226 -11.489 5.497 1.00 0.00 N ATOM 632 NH2 ARG A 39 13.541 -9.210 5.436 1.00 0.00 N ATOM 0 H ARG A 39 7.417 -14.344 4.591 1.00 0.00 H new ATOM 0 HA ARG A 39 8.008 -12.172 6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.099 -13.052 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.862 -12.129 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.733 -10.704 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.693 -10.090 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.970 -11.274 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.922 -12.097 5.073 1.00 0.00 H new ATOM 0 HE ARG A 39 11.041 -9.115 5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.602 -12.296 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.235 -11.625 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.162 -8.265 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.549 -9.352 5.503 1.00 0.00 H new ATOM 646 N MET A 40 5.401 -12.003 4.295 1.00 0.00 N ATOM 647 CA MET A 40 4.175 -11.351 3.929 1.00 0.00 C ATOM 648 C MET A 40 3.311 -11.036 5.114 1.00 0.00 C ATOM 649 O MET A 40 2.755 -9.982 5.153 1.00 0.00 O ATOM 650 CB MET A 40 3.414 -12.166 2.856 1.00 0.00 C ATOM 651 CG MET A 40 1.913 -11.891 2.715 1.00 0.00 C ATOM 652 SD MET A 40 1.463 -10.152 2.491 1.00 0.00 S ATOM 653 CE MET A 40 2.524 -9.619 1.178 1.00 0.00 C ATOM 0 H MET A 40 5.535 -12.898 3.825 1.00 0.00 H new ATOM 0 HA MET A 40 4.442 -10.389 3.490 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.885 -11.981 1.891 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.546 -13.225 3.077 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.534 -12.460 1.866 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.406 -12.269 3.603 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.061 -8.783 0.653 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.482 -9.303 1.590 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.683 -10.442 0.481 1.00 0.00 H new ATOM 663 N GLU A 41 3.261 -11.901 6.121 1.00 0.00 N ATOM 664 CA GLU A 41 2.358 -11.633 7.242 1.00 0.00 C ATOM 665 C GLU A 41 2.743 -10.327 7.946 1.00 0.00 C ATOM 666 O GLU A 41 1.892 -9.582 8.382 1.00 0.00 O ATOM 667 CB GLU A 41 2.289 -12.782 8.242 1.00 0.00 C ATOM 668 CG GLU A 41 3.447 -12.875 9.202 1.00 0.00 C ATOM 669 CD GLU A 41 3.335 -14.065 10.105 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.419 -14.094 10.958 1.00 0.00 O ATOM 671 OE2 GLU A 41 4.165 -14.974 10.012 1.00 0.00 O ATOM 0 H GLU A 41 3.808 -12.759 6.189 1.00 0.00 H new ATOM 0 HA GLU A 41 1.359 -11.530 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.369 -12.685 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.222 -13.719 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.379 -12.933 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.493 -11.967 9.803 1.00 0.00 H new ATOM 678 N ASN A 42 4.036 -10.033 7.960 1.00 0.00 N ATOM 679 CA ASN A 42 4.542 -8.823 8.573 1.00 0.00 C ATOM 680 C ASN A 42 4.291 -7.641 7.667 1.00 0.00 C ATOM 681 O ASN A 42 3.835 -6.570 8.109 1.00 0.00 O ATOM 682 CB ASN A 42 6.045 -8.968 8.875 1.00 0.00 C ATOM 683 CG ASN A 42 6.719 -7.647 9.232 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.356 -7.025 8.259 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.710 -7.222 10.382 1.00 0.00 N flip ATOM 0 H ASN A 42 4.756 -10.626 7.548 1.00 0.00 H new ATOM 0 HA ASN A 42 4.018 -8.655 9.514 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.177 -9.669 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.543 -9.399 8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.206 -7.730 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.206 -6.361 10.611 1.00 0.00 H new ATOM 692 N LEU A 43 4.553 -7.852 6.391 1.00 0.00 N ATOM 693 CA LEU A 43 4.402 -6.804 5.400 1.00 0.00 C ATOM 694 C LEU A 43 2.932 -6.387 5.312 1.00 0.00 C ATOM 695 O LEU A 43 2.599 -5.197 5.333 1.00 0.00 O ATOM 696 CB LEU A 43 4.885 -7.282 4.020 1.00 0.00 C ATOM 697 CG LEU A 43 6.235 -8.022 3.955 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.607 -8.344 2.519 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.337 -7.236 4.631 1.00 0.00 C ATOM 0 H LEU A 43 4.873 -8.745 6.015 1.00 0.00 H new ATOM 0 HA LEU A 43 5.010 -5.952 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.121 -7.940 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.946 -6.413 3.366 1.00 0.00 H new ATOM 0 HG LEU A 43 6.119 -8.959 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.564 -8.866 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.838 -8.978 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.687 -7.419 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.273 -7.791 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.451 -6.271 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.082 -7.080 5.679 1.00 0.00 H new ATOM 711 N VAL A 44 2.061 -7.378 5.263 1.00 0.00 N ATOM 712 CA VAL A 44 0.649 -7.155 5.145 1.00 0.00 C ATOM 713 C VAL A 44 0.091 -6.643 6.456 1.00 0.00 C ATOM 714 O VAL A 44 -0.875 -5.926 6.457 1.00 0.00 O ATOM 715 CB VAL A 44 -0.126 -8.426 4.670 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.358 -9.453 5.771 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.406 -8.069 3.947 1.00 0.00 C ATOM 0 H VAL A 44 2.324 -8.363 5.305 1.00 0.00 H new ATOM 0 HA VAL A 44 0.505 -6.399 4.373 1.00 0.00 H new ATOM 0 HB VAL A 44 0.531 -8.917 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.901 -10.306 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.602 -9.788 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.941 -9.001 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.914 -8.981 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.056 -7.503 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.172 -7.465 3.070 1.00 0.00 H new ATOM 727 N ALA A 45 0.720 -7.014 7.573 1.00 0.00 N ATOM 728 CA ALA A 45 0.307 -6.514 8.880 1.00 0.00 C ATOM 729 C ALA A 45 0.430 -4.990 8.904 1.00 0.00 C ATOM 730 O ALA A 45 -0.473 -4.286 9.367 1.00 0.00 O ATOM 731 CB ALA A 45 1.131 -7.145 9.992 1.00 0.00 C ATOM 0 H ALA A 45 1.513 -7.656 7.596 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.734 -6.789 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.802 -6.754 10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.998 -8.227 9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.184 -6.907 9.844 1.00 0.00 H new ATOM 737 N TYR A 46 1.547 -4.486 8.376 1.00 0.00 N ATOM 738 CA TYR A 46 1.732 -3.042 8.203 1.00 0.00 C ATOM 739 C TYR A 46 0.686 -2.498 7.244 1.00 0.00 C ATOM 740 O TYR A 46 0.092 -1.464 7.489 1.00 0.00 O ATOM 741 CB TYR A 46 3.161 -2.713 7.666 1.00 0.00 C ATOM 742 CG TYR A 46 3.269 -1.374 6.895 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.950 -1.311 5.529 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.660 -0.194 7.514 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.017 -0.136 4.826 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.727 0.995 6.797 1.00 0.00 C ATOM 747 CZ TYR A 46 3.404 1.010 5.460 1.00 0.00 C ATOM 748 OH TYR A 46 3.474 2.177 4.753 1.00 0.00 O ATOM 0 H TYR A 46 2.335 -5.053 8.062 1.00 0.00 H new ATOM 0 HA TYR A 46 1.618 -2.568 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.854 -2.690 8.507 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.483 -3.522 7.010 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.644 -2.212 5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.915 -0.200 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.765 -0.117 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.032 1.906 7.289 1.00 0.00 H new ATOM 0 HH TYR A 46 3.764 2.902 5.346 1.00 0.00 H new ATOM 758 N ALA A 47 0.491 -3.181 6.151 1.00 0.00 N ATOM 759 CA ALA A 47 -0.435 -2.731 5.146 1.00 0.00 C ATOM 760 C ALA A 47 -1.840 -2.611 5.716 1.00 0.00 C ATOM 761 O ALA A 47 -2.508 -1.639 5.485 1.00 0.00 O ATOM 762 CB ALA A 47 -0.391 -3.643 3.954 1.00 0.00 C ATOM 0 H ALA A 47 0.964 -4.058 5.931 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.138 -1.736 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.096 -3.292 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.615 -3.646 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.660 -4.654 4.259 1.00 0.00 H new ATOM 768 N LYS A 48 -2.223 -3.577 6.516 1.00 0.00 N ATOM 769 CA LYS A 48 -3.520 -3.612 7.172 1.00 0.00 C ATOM 770 C LYS A 48 -3.664 -2.530 8.224 1.00 0.00 C ATOM 771 O LYS A 48 -4.723 -1.923 8.348 1.00 0.00 O ATOM 772 CB LYS A 48 -3.711 -4.955 7.824 1.00 0.00 C ATOM 773 CG LYS A 48 -3.925 -6.092 6.847 1.00 0.00 C ATOM 774 CD LYS A 48 -3.846 -7.420 7.553 1.00 0.00 C ATOM 775 CE LYS A 48 -4.195 -8.574 6.634 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.612 -8.544 6.222 1.00 0.00 N ATOM 0 H LYS A 48 -1.634 -4.380 6.737 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.278 -3.437 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.838 -5.177 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.567 -4.902 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.898 -5.987 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.173 -6.048 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.840 -7.562 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.525 -7.418 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.559 -8.538 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.984 -9.516 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.870 -9.458 5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.211 -8.366 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.755 -7.787 5.524 1.00 0.00 H new ATOM 790 N LYS A 49 -2.613 -2.303 8.993 1.00 0.00 N ATOM 791 CA LYS A 49 -2.658 -1.294 10.043 1.00 0.00 C ATOM 792 C LYS A 49 -2.804 0.094 9.403 1.00 0.00 C ATOM 793 O LYS A 49 -3.604 0.925 9.844 1.00 0.00 O ATOM 794 CB LYS A 49 -1.407 -1.382 10.976 1.00 0.00 C ATOM 795 CG LYS A 49 -0.114 -1.020 10.351 1.00 0.00 C ATOM 796 CD LYS A 49 1.040 -1.076 11.342 1.00 0.00 C ATOM 797 CE LYS A 49 2.287 -0.423 10.763 1.00 0.00 C ATOM 798 NZ LYS A 49 3.417 -0.416 11.709 1.00 0.00 N ATOM 0 H LYS A 49 -1.724 -2.798 8.913 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.524 -1.477 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.570 -0.730 11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.333 -2.400 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.089 -1.697 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.183 -0.016 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.756 -0.571 12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.254 -2.114 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.581 -0.951 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.054 0.602 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.239 0.040 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.150 0.111 12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.660 -1.394 11.966 1.00 0.00 H new ATOM 812 N VAL A 50 -2.087 0.284 8.310 1.00 0.00 N ATOM 813 CA VAL A 50 -2.107 1.515 7.566 1.00 0.00 C ATOM 814 C VAL A 50 -3.435 1.688 6.837 1.00 0.00 C ATOM 815 O VAL A 50 -4.068 2.739 6.936 1.00 0.00 O ATOM 816 CB VAL A 50 -0.900 1.577 6.586 1.00 0.00 C ATOM 817 CG1 VAL A 50 -1.012 2.727 5.611 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.382 1.714 7.376 1.00 0.00 C ATOM 0 H VAL A 50 -1.469 -0.425 7.915 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.011 2.346 8.265 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.898 0.653 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.146 2.728 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.921 2.616 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.049 3.668 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.229 1.758 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.348 2.628 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.495 0.856 8.038 1.00 0.00 H new ATOM 828 N GLU A 51 -3.862 0.643 6.144 1.00 0.00 N ATOM 829 CA GLU A 51 -5.123 0.631 5.413 1.00 0.00 C ATOM 830 C GLU A 51 -6.253 0.908 6.369 1.00 0.00 C ATOM 831 O GLU A 51 -7.090 1.754 6.107 1.00 0.00 O ATOM 832 CB GLU A 51 -5.287 -0.729 4.710 1.00 0.00 C ATOM 833 CG GLU A 51 -6.506 -0.900 3.804 1.00 0.00 C ATOM 834 CD GLU A 51 -7.794 -1.318 4.547 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.702 -2.020 5.584 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.906 -1.001 4.089 1.00 0.00 O ATOM 0 H GLU A 51 -3.339 -0.230 6.072 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.132 1.408 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.393 -0.912 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.323 -1.504 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.690 0.038 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.278 -1.649 3.045 1.00 0.00 H new ATOM 843 N GLY A 52 -6.214 0.238 7.504 1.00 0.00 N ATOM 844 CA GLY A 52 -7.202 0.409 8.528 1.00 0.00 C ATOM 845 C GLY A 52 -7.286 1.819 9.021 1.00 0.00 C ATOM 846 O GLY A 52 -8.376 2.341 9.206 1.00 0.00 O ATOM 0 H GLY A 52 -5.489 -0.441 7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.175 0.105 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.970 -0.251 9.364 1.00 0.00 H new ATOM 850 N ASP A 53 -6.136 2.437 9.213 1.00 0.00 N ATOM 851 CA ASP A 53 -6.056 3.828 9.666 1.00 0.00 C ATOM 852 C ASP A 53 -6.786 4.730 8.695 1.00 0.00 C ATOM 853 O ASP A 53 -7.710 5.414 9.080 1.00 0.00 O ATOM 854 CB ASP A 53 -4.592 4.245 9.783 1.00 0.00 C ATOM 855 CG ASP A 53 -4.365 5.621 10.400 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.676 6.634 9.761 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.810 5.702 11.524 1.00 0.00 O ATOM 0 H ASP A 53 -5.228 1.997 9.062 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.528 3.918 10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.064 3.503 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.144 4.230 8.789 1.00 0.00 H new ATOM 862 N MET A 54 -6.422 4.664 7.424 1.00 0.00 N ATOM 863 CA MET A 54 -7.073 5.491 6.385 1.00 0.00 C ATOM 864 C MET A 54 -8.522 5.112 6.149 1.00 0.00 C ATOM 865 O MET A 54 -9.348 5.973 5.894 1.00 0.00 O ATOM 866 CB MET A 54 -6.266 5.557 5.070 1.00 0.00 C ATOM 867 CG MET A 54 -5.606 4.285 4.638 1.00 0.00 C ATOM 868 SD MET A 54 -3.901 4.584 4.080 1.00 0.00 S ATOM 869 CE MET A 54 -3.206 5.455 5.496 1.00 0.00 C ATOM 0 H MET A 54 -5.684 4.053 7.074 1.00 0.00 H new ATOM 0 HA MET A 54 -7.082 6.504 6.788 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.934 5.885 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.498 6.323 5.177 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.601 3.576 5.466 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.181 3.830 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.118 5.421 5.446 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.538 6.493 5.483 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.541 4.978 6.417 1.00 0.00 H new ATOM 879 N TYR A 55 -8.829 3.847 6.277 1.00 0.00 N ATOM 880 CA TYR A 55 -10.186 3.343 6.146 1.00 0.00 C ATOM 881 C TYR A 55 -11.052 3.948 7.269 1.00 0.00 C ATOM 882 O TYR A 55 -12.123 4.454 7.030 1.00 0.00 O ATOM 883 CB TYR A 55 -10.124 1.809 6.244 1.00 0.00 C ATOM 884 CG TYR A 55 -11.419 1.043 6.156 1.00 0.00 C ATOM 885 CD1 TYR A 55 -12.010 0.749 4.932 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.015 0.554 7.304 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.163 -0.015 4.864 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.166 -0.193 7.249 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.738 -0.481 6.030 1.00 0.00 C ATOM 890 OH TYR A 55 -14.878 -1.263 5.980 1.00 0.00 O ATOM 0 H TYR A 55 -8.140 3.122 6.478 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.632 3.622 5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.469 1.450 5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.648 1.554 7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.564 1.122 4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.566 0.764 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.609 -0.244 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.621 -0.554 8.159 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.013 -1.700 6.847 1.00 0.00 H new ATOM 900 N GLU A 56 -10.534 3.952 8.484 1.00 0.00 N ATOM 901 CA GLU A 56 -11.270 4.517 9.613 1.00 0.00 C ATOM 902 C GLU A 56 -11.185 6.050 9.637 1.00 0.00 C ATOM 903 O GLU A 56 -11.976 6.711 10.289 1.00 0.00 O ATOM 904 CB GLU A 56 -10.794 3.924 10.937 1.00 0.00 C ATOM 905 CG GLU A 56 -11.023 2.429 11.045 1.00 0.00 C ATOM 906 CD GLU A 56 -10.671 1.877 12.406 1.00 0.00 C ATOM 907 OE1 GLU A 56 -11.425 2.114 13.368 1.00 0.00 O ATOM 908 OE2 GLU A 56 -9.632 1.196 12.547 1.00 0.00 O ATOM 0 H GLU A 56 -9.616 3.575 8.719 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.318 4.248 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.731 4.131 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.311 4.423 11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.069 2.210 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.428 1.920 10.287 1.00 0.00 H new ATOM 915 N SER A 57 -10.248 6.583 8.911 1.00 0.00 N ATOM 916 CA SER A 57 -10.024 8.021 8.811 1.00 0.00 C ATOM 917 C SER A 57 -10.870 8.694 7.717 1.00 0.00 C ATOM 918 O SER A 57 -11.177 9.887 7.801 1.00 0.00 O ATOM 919 CB SER A 57 -8.548 8.251 8.545 1.00 0.00 C ATOM 920 OG SER A 57 -7.765 8.014 9.704 1.00 0.00 O ATOM 0 H SER A 57 -9.596 6.031 8.354 1.00 0.00 H new ATOM 0 HA SER A 57 -10.333 8.477 9.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.216 7.595 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.394 9.275 8.205 1.00 0.00 H new ATOM 0 HG SER A 57 -7.572 7.056 9.778 1.00 0.00 H new ATOM 926 N ALA A 58 -11.212 7.950 6.699 1.00 0.00 N ATOM 927 CA ALA A 58 -11.975 8.485 5.594 1.00 0.00 C ATOM 928 C ALA A 58 -13.472 8.450 5.848 1.00 0.00 C ATOM 929 O ALA A 58 -13.957 7.790 6.782 1.00 0.00 O ATOM 930 CB ALA A 58 -11.680 7.720 4.351 1.00 0.00 C ATOM 0 H ALA A 58 -10.973 6.962 6.609 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.677 9.527 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.260 8.131 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.617 7.795 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.947 6.673 4.496 1.00 0.00 H new ATOM 936 N ASN A 59 -14.196 9.149 5.007 1.00 0.00 N ATOM 937 CA ASN A 59 -15.651 9.236 5.075 1.00 0.00 C ATOM 938 C ASN A 59 -16.278 8.609 3.849 1.00 0.00 C ATOM 939 O ASN A 59 -17.496 8.707 3.628 1.00 0.00 O ATOM 940 CB ASN A 59 -16.094 10.696 5.189 1.00 0.00 C ATOM 941 CG ASN A 59 -15.498 11.408 6.380 1.00 0.00 C ATOM 942 OD1 ASN A 59 -16.084 11.431 7.469 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.315 11.960 6.204 1.00 0.00 N ATOM 0 H ASN A 59 -13.792 9.686 4.240 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.983 8.693 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.813 11.226 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.181 10.735 5.258 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.850 12.428 6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.864 11.920 5.290 1.00 0.00 H new ATOM 950 N SER A 60 -15.455 7.963 3.062 1.00 0.00 N ATOM 951 CA SER A 60 -15.887 7.235 1.909 1.00 0.00 C ATOM 952 C SER A 60 -14.752 6.363 1.440 1.00 0.00 C ATOM 953 O SER A 60 -13.585 6.685 1.683 1.00 0.00 O ATOM 954 CB SER A 60 -16.338 8.189 0.797 1.00 0.00 C ATOM 955 OG SER A 60 -15.317 9.102 0.453 1.00 0.00 O ATOM 0 H SER A 60 -14.447 7.932 3.213 1.00 0.00 H new ATOM 0 HA SER A 60 -16.744 6.613 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.625 7.614 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.223 8.736 1.122 1.00 0.00 H new ATOM 0 HG SER A 60 -15.635 9.695 -0.259 1.00 0.00 H new ATOM 961 N ARG A 61 -15.074 5.225 0.830 1.00 0.00 N ATOM 962 CA ARG A 61 -14.032 4.360 0.264 1.00 0.00 C ATOM 963 C ARG A 61 -13.263 5.097 -0.803 1.00 0.00 C ATOM 964 O ARG A 61 -12.086 4.912 -0.934 1.00 0.00 O ATOM 965 CB ARG A 61 -14.502 2.961 -0.283 1.00 0.00 C ATOM 966 CG ARG A 61 -15.535 2.943 -1.412 1.00 0.00 C ATOM 967 CD ARG A 61 -16.760 3.711 -1.067 1.00 0.00 C ATOM 968 NE ARG A 61 -17.784 3.566 -2.103 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.989 4.164 -2.145 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.377 4.997 -1.184 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.797 3.926 -3.168 1.00 0.00 N ATOM 0 H ARG A 61 -16.027 4.882 0.714 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.397 4.119 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.619 2.424 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.912 2.395 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.090 3.360 -2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.807 1.912 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.153 3.364 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.509 4.765 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.559 2.943 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.758 5.192 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.294 5.441 -1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.504 3.295 -3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.712 4.374 -3.210 1.00 0.00 H new ATOM 985 N ASP A 62 -13.962 5.963 -1.530 1.00 0.00 N ATOM 986 CA ASP A 62 -13.362 6.790 -2.577 1.00 0.00 C ATOM 987 C ASP A 62 -12.277 7.669 -1.973 1.00 0.00 C ATOM 988 O ASP A 62 -11.160 7.688 -2.460 1.00 0.00 O ATOM 989 CB ASP A 62 -14.450 7.649 -3.235 1.00 0.00 C ATOM 990 CG ASP A 62 -13.917 8.627 -4.263 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.732 8.252 -5.435 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.727 9.801 -3.923 1.00 0.00 O ATOM 0 H ASP A 62 -14.964 6.113 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.910 6.153 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.178 6.994 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.981 8.203 -2.461 1.00 0.00 H new ATOM 997 N GLU A 63 -12.607 8.329 -0.856 1.00 0.00 N ATOM 998 CA GLU A 63 -11.661 9.164 -0.119 1.00 0.00 C ATOM 999 C GLU A 63 -10.496 8.349 0.426 1.00 0.00 C ATOM 1000 O GLU A 63 -9.332 8.721 0.241 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.380 9.919 1.015 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.466 10.611 2.019 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.207 11.568 2.917 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.956 11.131 3.793 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.076 12.796 2.729 1.00 0.00 O ATOM 0 H GLU A 63 -13.538 8.297 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.248 9.893 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.037 10.667 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.015 9.215 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.968 9.858 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.687 11.152 1.482 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.803 7.220 1.053 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.797 6.398 1.671 1.00 0.00 C ATOM 1014 C TYR A 64 -8.840 5.832 0.626 1.00 0.00 C ATOM 1015 O TYR A 64 -7.622 5.927 0.780 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.478 5.326 2.571 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.111 3.907 2.336 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.010 3.354 2.940 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.865 3.125 1.493 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.669 2.059 2.714 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.531 1.831 1.254 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.428 1.300 1.868 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.085 0.017 1.644 1.00 0.00 O ATOM 0 H TYR A 64 -11.753 6.859 1.141 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.170 6.998 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.252 5.565 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.557 5.420 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.407 3.956 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.736 3.547 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.804 1.632 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.128 1.227 0.587 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.868 -0.417 2.495 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.410 5.313 -0.454 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.666 4.786 -1.568 1.00 0.00 C ATOM 1035 C TYR A 65 -7.814 5.882 -2.180 1.00 0.00 C ATOM 1036 O TYR A 65 -6.642 5.683 -2.392 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.649 4.149 -2.579 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.116 3.799 -3.949 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.851 3.267 -4.146 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -9.910 4.008 -5.055 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.403 2.965 -5.411 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.475 3.709 -6.313 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.216 3.188 -6.489 1.00 0.00 C ATOM 1044 OH TYR A 65 -7.769 2.886 -7.753 1.00 0.00 O ATOM 0 H TYR A 65 -10.421 5.250 -0.573 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.982 4.003 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.048 3.239 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.487 4.834 -2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.209 3.087 -3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.900 4.418 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.414 2.554 -5.553 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.116 3.881 -7.165 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.530 2.637 -8.318 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.403 7.053 -2.363 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.726 8.201 -2.963 1.00 0.00 C ATOM 1056 C HIS A 66 -6.473 8.600 -2.174 1.00 0.00 C ATOM 1057 O HIS A 66 -5.380 8.614 -2.715 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.699 9.392 -3.044 1.00 0.00 C ATOM 1059 CG HIS A 66 -8.130 10.642 -3.637 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.735 11.728 -2.891 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.914 10.973 -4.926 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.300 12.664 -3.720 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -7.386 12.261 -4.980 1.00 0.00 N ATOM 0 H HIS A 66 -9.371 7.239 -2.099 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.407 7.916 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.566 9.092 -3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.057 9.616 -2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.117 10.342 -5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.925 13.628 -3.411 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.121 12.784 -5.814 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.640 8.894 -0.897 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.532 9.377 -0.079 1.00 0.00 C ATOM 1073 C LEU A 67 -4.429 8.309 0.098 1.00 0.00 C ATOM 1074 O LEU A 67 -3.198 8.619 0.061 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.060 9.972 1.272 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.819 9.041 2.244 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.880 8.231 3.088 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.778 9.804 3.136 1.00 0.00 C ATOM 0 H LEU A 67 -7.527 8.809 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.045 10.196 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.205 10.385 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.718 10.807 1.031 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.400 8.363 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.454 7.590 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.252 7.615 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.251 8.899 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.288 9.108 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.223 10.532 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.513 10.322 2.520 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.847 7.052 0.225 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.904 5.979 0.413 1.00 0.00 C ATOM 1092 C LEU A 68 -3.146 5.768 -0.888 1.00 0.00 C ATOM 1093 O LEU A 68 -1.935 5.519 -0.879 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.623 4.689 0.918 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.200 3.702 -0.083 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.126 2.742 -0.548 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.315 2.938 0.548 1.00 0.00 C ATOM 0 H LEU A 68 -5.825 6.764 0.200 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.183 6.237 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.913 4.143 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.438 5.005 1.569 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.579 4.254 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.551 2.040 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.319 3.301 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.733 2.193 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.726 2.231 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.939 2.394 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.096 3.629 0.864 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.870 5.925 -2.002 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.323 5.805 -3.334 1.00 0.00 C ATOM 1111 C ALA A 69 -2.279 6.858 -3.563 1.00 0.00 C ATOM 1112 O ALA A 69 -1.251 6.594 -4.141 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.412 5.930 -4.367 1.00 0.00 C ATOM 0 H ALA A 69 -4.867 6.142 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.863 4.821 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.981 5.837 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.149 5.141 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.895 6.902 -4.270 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.534 8.034 -3.046 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.614 9.149 -3.169 1.00 0.00 C ATOM 1121 C GLU A 70 -0.287 8.823 -2.515 1.00 0.00 C ATOM 1122 O GLU A 70 0.802 8.959 -3.138 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.215 10.396 -2.532 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.397 10.955 -3.284 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.996 11.569 -4.591 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.262 12.585 -4.578 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.366 11.058 -5.644 1.00 0.00 O ATOM 0 H GLU A 70 -3.385 8.251 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.441 9.337 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.523 10.160 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.445 11.164 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.120 10.160 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.895 11.705 -2.670 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.350 8.372 -1.276 1.00 0.00 N ATOM 1135 CA LYS A 71 0.871 8.074 -0.562 1.00 0.00 C ATOM 1136 C LYS A 71 1.608 6.859 -1.136 1.00 0.00 C ATOM 1137 O LYS A 71 2.843 6.874 -1.262 1.00 0.00 O ATOM 1138 CB LYS A 71 0.653 8.018 0.962 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.251 6.917 1.513 1.00 0.00 C ATOM 1140 CD LYS A 71 0.461 5.576 1.612 1.00 0.00 C ATOM 1141 CE LYS A 71 0.054 4.840 2.864 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.506 5.571 4.071 1.00 0.00 N ATOM 0 H LYS A 71 -1.212 8.208 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 71 1.550 8.911 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.629 7.918 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.242 8.977 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.612 7.207 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.126 6.814 0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.226 4.970 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.540 5.732 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.030 4.724 2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.482 3.838 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.725 4.891 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.358 6.122 3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.247 6.213 4.390 1.00 0.00 H new ATOM 1156 N ILE A 72 0.863 5.835 -1.529 1.00 0.00 N ATOM 1157 CA ILE A 72 1.485 4.651 -2.095 1.00 0.00 C ATOM 1158 C ILE A 72 2.176 5.008 -3.412 1.00 0.00 C ATOM 1159 O ILE A 72 3.318 4.661 -3.623 1.00 0.00 O ATOM 1160 CB ILE A 72 0.483 3.452 -2.287 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.189 2.231 -2.776 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.633 3.767 -3.195 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.282 1.084 -3.090 1.00 0.00 C ATOM 0 H ILE A 72 -0.155 5.801 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 72 2.227 4.303 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 72 0.061 3.263 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.756 2.487 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.909 1.914 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.286 2.899 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.200 4.608 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.240 4.027 -4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.873 0.237 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.267 0.798 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.422 1.379 -3.868 1.00 0.00 H new ATOM 1175 N TYR A 73 1.480 5.770 -4.233 1.00 0.00 N ATOM 1176 CA TYR A 73 1.931 6.230 -5.531 1.00 0.00 C ATOM 1177 C TYR A 73 3.280 6.925 -5.431 1.00 0.00 C ATOM 1178 O TYR A 73 4.240 6.566 -6.162 1.00 0.00 O ATOM 1179 CB TYR A 73 0.878 7.198 -6.066 1.00 0.00 C ATOM 1180 CG TYR A 73 1.091 7.758 -7.433 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.775 8.931 -7.589 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.550 7.150 -8.553 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.929 9.509 -8.838 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.705 7.699 -9.804 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.391 8.879 -9.945 1.00 0.00 C ATOM 1186 OH TYR A 73 1.528 9.440 -11.191 1.00 0.00 O ATOM 0 H TYR A 73 0.543 6.100 -4.003 1.00 0.00 H new ATOM 0 HA TYR A 73 2.056 5.380 -6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.085 6.687 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.802 8.032 -5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.203 9.415 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.003 6.229 -8.442 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.463 10.441 -8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.290 7.205 -10.670 1.00 0.00 H new ATOM 0 HH TYR A 73 1.093 8.868 -11.857 1.00 0.00 H new ATOM 1196 N LYS A 74 3.370 7.902 -4.543 1.00 0.00 N ATOM 1197 CA LYS A 74 4.603 8.655 -4.393 1.00 0.00 C ATOM 1198 C LYS A 74 5.733 7.754 -3.861 1.00 0.00 C ATOM 1199 O LYS A 74 6.894 7.924 -4.224 1.00 0.00 O ATOM 1200 CB LYS A 74 4.390 9.896 -3.521 1.00 0.00 C ATOM 1201 CG LYS A 74 4.059 9.594 -2.086 1.00 0.00 C ATOM 1202 CD LYS A 74 3.634 10.829 -1.279 1.00 0.00 C ATOM 1203 CE LYS A 74 2.253 11.405 -1.676 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.198 12.090 -3.000 1.00 0.00 N ATOM 0 H LYS A 74 2.613 8.189 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 74 4.911 9.010 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.292 10.507 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.585 10.493 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.257 8.856 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.928 9.141 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.615 10.568 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.388 11.606 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.527 10.592 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.939 12.112 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.675 12.984 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.165 12.287 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.716 11.477 -3.688 1.00 0.00 H new ATOM 1218 N ILE A 75 5.378 6.774 -3.041 1.00 0.00 N ATOM 1219 CA ILE A 75 6.345 5.809 -2.543 1.00 0.00 C ATOM 1220 C ILE A 75 6.811 4.847 -3.667 1.00 0.00 C ATOM 1221 O ILE A 75 7.983 4.473 -3.723 1.00 0.00 O ATOM 1222 CB ILE A 75 5.792 5.042 -1.287 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.227 5.715 0.026 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.207 3.593 -1.275 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.796 7.157 0.204 1.00 0.00 C ATOM 0 H ILE A 75 4.425 6.627 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 75 7.228 6.357 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 75 4.705 5.085 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.832 5.133 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.314 5.670 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.801 3.106 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.826 3.098 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.295 3.526 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.157 7.529 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.213 7.763 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.708 7.217 0.178 1.00 0.00 H new ATOM 1237 N GLN A 76 5.899 4.496 -4.570 1.00 0.00 N ATOM 1238 CA GLN A 76 6.212 3.605 -5.707 1.00 0.00 C ATOM 1239 C GLN A 76 7.289 4.225 -6.556 1.00 0.00 C ATOM 1240 O GLN A 76 8.281 3.597 -6.911 1.00 0.00 O ATOM 1241 CB GLN A 76 4.975 3.392 -6.562 1.00 0.00 C ATOM 1242 CG GLN A 76 3.844 2.744 -5.827 1.00 0.00 C ATOM 1243 CD GLN A 76 3.961 1.242 -5.701 1.00 0.00 C ATOM 1244 OE1 GLN A 76 5.045 0.669 -5.698 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.835 0.601 -5.546 1.00 0.00 N ATOM 0 H GLN A 76 4.929 4.812 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 76 6.552 2.647 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.641 4.354 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.239 2.776 -7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.780 3.176 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.911 2.982 -6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.952 1.112 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.838 -0.411 -5.417 1.00 0.00 H new ATOM 1254 N LYS A 77 7.109 5.474 -6.861 1.00 0.00 N ATOM 1255 CA LYS A 77 8.101 6.163 -7.645 1.00 0.00 C ATOM 1256 C LYS A 77 9.353 6.461 -6.871 1.00 0.00 C ATOM 1257 O LYS A 77 10.427 6.508 -7.466 1.00 0.00 O ATOM 1258 CB LYS A 77 7.526 7.360 -8.354 1.00 0.00 C ATOM 1259 CG LYS A 77 6.596 8.189 -7.506 1.00 0.00 C ATOM 1260 CD LYS A 77 5.645 8.968 -8.351 1.00 0.00 C ATOM 1261 CE LYS A 77 4.904 8.086 -9.378 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.387 6.819 -8.842 1.00 0.00 N ATOM 0 H LYS A 77 6.301 6.033 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 77 8.417 5.476 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.344 7.991 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.988 7.021 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.039 7.539 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.177 8.871 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.916 9.463 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.190 9.752 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.072 8.656 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.582 7.866 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.454 6.621 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.043 6.048 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.298 6.890 -7.808 1.00 0.00 H new ATOM 1276 N GLU A 78 9.220 6.616 -5.547 1.00 0.00 N ATOM 1277 CA GLU A 78 10.367 6.815 -4.669 1.00 0.00 C ATOM 1278 C GLU A 78 11.270 5.596 -4.797 1.00 0.00 C ATOM 1279 O GLU A 78 12.450 5.721 -5.153 1.00 0.00 O ATOM 1280 CB GLU A 78 9.882 6.934 -3.206 1.00 0.00 C ATOM 1281 CG GLU A 78 10.871 7.548 -2.204 1.00 0.00 C ATOM 1282 CD GLU A 78 12.194 6.836 -2.080 1.00 0.00 C ATOM 1283 OE1 GLU A 78 12.268 5.750 -1.461 1.00 0.00 O ATOM 1284 OE2 GLU A 78 13.177 7.374 -2.584 1.00 0.00 O ATOM 0 H GLU A 78 8.322 6.606 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 78 10.903 7.724 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.971 7.532 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.613 5.938 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.060 8.582 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.398 7.573 -1.222 1.00 0.00 H new ATOM 1291 N LEU A 79 10.682 4.407 -4.597 1.00 0.00 N ATOM 1292 CA LEU A 79 11.431 3.170 -4.640 1.00 0.00 C ATOM 1293 C LEU A 79 12.072 2.974 -5.993 1.00 0.00 C ATOM 1294 O LEU A 79 13.244 2.614 -6.078 1.00 0.00 O ATOM 1295 CB LEU A 79 10.584 1.948 -4.164 1.00 0.00 C ATOM 1296 CG LEU A 79 9.296 1.601 -4.932 1.00 0.00 C ATOM 1297 CD1 LEU A 79 9.559 0.727 -6.152 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.292 0.954 -4.025 1.00 0.00 C ATOM 0 H LEU A 79 9.687 4.290 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 79 12.246 3.244 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.229 1.070 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.313 2.119 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 79 8.886 2.542 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.617 0.513 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.226 1.250 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.023 -0.208 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.390 0.718 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.712 0.037 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.043 1.636 -3.212 1.00 0.00 H new ATOM 1310 N GLU A 80 11.326 3.287 -7.037 1.00 0.00 N ATOM 1311 CA GLU A 80 11.827 3.217 -8.383 1.00 0.00 C ATOM 1312 C GLU A 80 13.037 4.110 -8.593 1.00 0.00 C ATOM 1313 O GLU A 80 14.088 3.623 -8.972 1.00 0.00 O ATOM 1314 CB GLU A 80 10.732 3.563 -9.381 1.00 0.00 C ATOM 1315 CG GLU A 80 10.026 2.360 -9.964 1.00 0.00 C ATOM 1316 CD GLU A 80 10.952 1.555 -10.849 1.00 0.00 C ATOM 1317 OE1 GLU A 80 11.298 2.035 -11.963 1.00 0.00 O ATOM 1318 OE2 GLU A 80 11.379 0.459 -10.458 1.00 0.00 O ATOM 0 H GLU A 80 10.356 3.596 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 80 12.150 2.190 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.996 4.200 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.167 4.145 -10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.651 1.730 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.161 2.687 -10.541 1.00 0.00 H new ATOM 1325 N GLU A 81 12.922 5.388 -8.263 1.00 0.00 N ATOM 1326 CA GLU A 81 14.001 6.321 -8.539 1.00 0.00 C ATOM 1327 C GLU A 81 15.213 6.117 -7.639 1.00 0.00 C ATOM 1328 O GLU A 81 16.334 6.234 -8.093 1.00 0.00 O ATOM 1329 CB GLU A 81 13.527 7.797 -8.569 1.00 0.00 C ATOM 1330 CG GLU A 81 12.871 8.306 -7.298 1.00 0.00 C ATOM 1331 CD GLU A 81 12.305 9.702 -7.455 1.00 0.00 C ATOM 1332 OE1 GLU A 81 11.144 9.845 -7.888 1.00 0.00 O ATOM 1333 OE2 GLU A 81 13.004 10.676 -7.158 1.00 0.00 O ATOM 0 H GLU A 81 12.105 5.797 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 81 14.336 6.088 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.386 8.430 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.822 7.916 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.072 7.624 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.602 8.303 -6.490 1.00 0.00 H new ATOM 1340 N LYS A 82 15.005 5.796 -6.377 1.00 0.00 N ATOM 1341 CA LYS A 82 16.140 5.597 -5.483 1.00 0.00 C ATOM 1342 C LYS A 82 16.876 4.265 -5.723 1.00 0.00 C ATOM 1343 O LYS A 82 18.088 4.198 -5.581 1.00 0.00 O ATOM 1344 CB LYS A 82 15.781 5.854 -4.014 1.00 0.00 C ATOM 1345 CG LYS A 82 14.811 4.891 -3.409 1.00 0.00 C ATOM 1346 CD LYS A 82 15.474 3.700 -2.791 1.00 0.00 C ATOM 1347 CE LYS A 82 14.427 2.821 -2.192 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.630 3.543 -1.157 1.00 0.00 N ATOM 0 H LYS A 82 14.087 5.669 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 82 16.871 6.363 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.698 5.836 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.368 6.859 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.222 5.406 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.115 4.554 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.041 3.152 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.183 4.018 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.763 2.459 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.898 1.946 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.135 2.853 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.265 4.120 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.934 4.160 -1.623 1.00 0.00 H new ATOM 1362 N ARG A 83 16.148 3.218 -6.114 1.00 0.00 N ATOM 1363 CA ARG A 83 16.773 1.912 -6.402 1.00 0.00 C ATOM 1364 C ARG A 83 17.490 1.963 -7.760 1.00 0.00 C ATOM 1365 O ARG A 83 18.521 1.322 -7.976 1.00 0.00 O ATOM 1366 CB ARG A 83 15.716 0.778 -6.337 1.00 0.00 C ATOM 1367 CG ARG A 83 16.170 -0.602 -6.828 1.00 0.00 C ATOM 1368 CD ARG A 83 17.398 -1.137 -6.097 1.00 0.00 C ATOM 1369 NE ARG A 83 17.188 -1.374 -4.668 1.00 0.00 N ATOM 1370 CZ ARG A 83 17.993 -2.106 -3.886 1.00 0.00 C ATOM 1371 NH1 ARG A 83 19.052 -2.739 -4.388 1.00 0.00 N ATOM 1372 NH2 ARG A 83 17.723 -2.213 -2.607 1.00 0.00 N ATOM 0 H ARG A 83 15.136 3.240 -6.240 1.00 0.00 H new ATOM 0 HA ARG A 83 17.523 1.692 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.381 0.681 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.850 1.083 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.349 -1.309 -6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.388 -0.545 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.709 -2.070 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 83 18.218 -0.429 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 83 16.367 -0.950 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 83 19.262 -2.671 -5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.653 -3.291 -3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.907 -1.742 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.329 -2.768 -2.002 1.00 0.00 H new ATOM 1649 N LEU B 114 12.325 3.323 3.333 1.00 0.00 N ATOM 1650 CA LEU B 114 11.848 2.508 2.257 1.00 0.00 C ATOM 1651 C LEU B 114 12.995 1.724 1.621 1.00 0.00 C ATOM 1652 O LEU B 114 12.777 0.685 1.086 1.00 0.00 O ATOM 1653 CB LEU B 114 11.101 3.354 1.218 1.00 0.00 C ATOM 1654 CG LEU B 114 10.499 2.609 0.020 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.520 1.531 0.469 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.819 3.596 -0.898 1.00 0.00 C ATOM 0 HA LEU B 114 11.139 1.786 2.663 1.00 0.00 H new ATOM 0 HB2 LEU B 114 10.296 3.884 1.727 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.789 4.109 0.837 1.00 0.00 H new ATOM 0 HG LEU B 114 11.306 2.111 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.112 1.023 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.038 0.809 1.100 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.708 1.989 1.034 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.391 3.066 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU B 114 9.026 4.111 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.548 4.325 -1.253 1.00 0.00 H new ATOM 1668 N LEU B 115 14.221 2.242 1.695 1.00 0.00 N ATOM 1669 CA LEU B 115 15.401 1.522 1.169 1.00 0.00 C ATOM 1670 C LEU B 115 15.676 0.297 2.024 1.00 0.00 C ATOM 1671 O LEU B 115 15.971 -0.790 1.514 1.00 0.00 O ATOM 1672 CB LEU B 115 16.637 2.439 1.137 1.00 0.00 C ATOM 1673 CG LEU B 115 17.947 1.836 0.604 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.798 1.368 -0.836 1.00 0.00 C ATOM 1675 CD2 LEU B 115 19.066 2.851 0.710 1.00 0.00 C ATOM 0 H LEU B 115 14.432 3.150 2.109 1.00 0.00 H new ATOM 0 HA LEU B 115 15.189 1.208 0.147 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.395 3.311 0.529 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.818 2.797 2.150 1.00 0.00 H new ATOM 0 HG LEU B 115 18.190 0.966 1.214 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.742 0.947 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.019 0.607 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.525 2.214 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.990 2.415 0.330 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.813 3.734 0.123 1.00 0.00 H new ATOM 0 HD23 LEU B 115 19.201 3.136 1.753 1.00 0.00 H new ATOM 1687 N THR B 116 15.517 0.479 3.324 1.00 0.00 N ATOM 1688 CA THR B 116 15.694 -0.579 4.289 1.00 0.00 C ATOM 1689 C THR B 116 14.688 -1.704 3.994 1.00 0.00 C ATOM 1690 O THR B 116 15.008 -2.878 4.095 1.00 0.00 O ATOM 1691 CB THR B 116 15.507 -0.024 5.726 1.00 0.00 C ATOM 1692 OG1 THR B 116 16.391 1.110 5.913 1.00 0.00 O ATOM 1693 CG2 THR B 116 15.829 -1.083 6.777 1.00 0.00 C ATOM 0 H THR B 116 15.259 1.375 3.737 1.00 0.00 H new ATOM 0 HA THR B 116 16.704 -0.983 4.215 1.00 0.00 H new ATOM 0 HB THR B 116 14.465 0.274 5.846 1.00 0.00 H new ATOM 0 HG1 THR B 116 16.277 1.467 6.818 1.00 0.00 H new ATOM 0 HG21 THR B 116 15.688 -0.662 7.773 1.00 0.00 H new ATOM 0 HG22 THR B 116 15.165 -1.938 6.647 1.00 0.00 H new ATOM 0 HG23 THR B 116 16.864 -1.406 6.663 1.00 0.00 H new ATOM 1701 N SER B 117 13.490 -1.325 3.602 1.00 0.00 N ATOM 1702 CA SER B 117 12.488 -2.284 3.175 1.00 0.00 C ATOM 1703 C SER B 117 12.846 -2.886 1.776 1.00 0.00 C ATOM 1704 O SER B 117 12.900 -4.111 1.595 1.00 0.00 O ATOM 1705 CB SER B 117 11.162 -1.566 3.103 1.00 0.00 C ATOM 1706 OG SER B 117 10.869 -0.912 4.327 1.00 0.00 O ATOM 0 H SER B 117 13.183 -0.353 3.570 1.00 0.00 H new ATOM 0 HA SER B 117 12.443 -3.109 3.886 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.183 -0.837 2.293 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.371 -2.279 2.869 1.00 0.00 H new ATOM 0 HG SER B 117 10.006 -0.453 4.254 1.00 0.00 H new ATOM 1712 N ASP B 118 13.134 -1.992 0.836 1.00 0.00 N ATOM 1713 CA ASP B 118 13.473 -2.273 -0.591 1.00 0.00 C ATOM 1714 C ASP B 118 14.665 -3.228 -0.773 1.00 0.00 C ATOM 1715 O ASP B 118 14.829 -3.842 -1.826 1.00 0.00 O ATOM 1716 CB ASP B 118 13.687 -0.921 -1.303 1.00 0.00 C ATOM 1717 CG ASP B 118 14.455 -0.954 -2.595 1.00 0.00 C ATOM 1718 OD1 ASP B 118 13.902 -1.311 -3.631 1.00 0.00 O ATOM 1719 OD2 ASP B 118 15.628 -0.559 -2.578 1.00 0.00 O ATOM 0 H ASP B 118 13.143 -0.993 1.040 1.00 0.00 H new ATOM 0 HA ASP B 118 12.641 -2.810 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP B 118 12.709 -0.481 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP B 118 14.205 -0.252 -0.616 1.00 0.00 H new ATOM 1958 N MET B 141 -10.952 -1.498 -12.801 1.00 0.00 N ATOM 1959 CA MET B 141 -10.127 -0.669 -11.972 1.00 0.00 C ATOM 1960 C MET B 141 -8.827 -0.245 -12.639 1.00 0.00 C ATOM 1961 O MET B 141 -8.268 0.775 -12.268 1.00 0.00 O ATOM 1962 CB MET B 141 -9.828 -1.433 -10.698 1.00 0.00 C ATOM 1963 CG MET B 141 -9.173 -0.628 -9.607 1.00 0.00 C ATOM 1964 SD MET B 141 -8.861 -1.620 -8.145 1.00 0.00 S ATOM 1965 CE MET B 141 -8.183 -0.398 -7.053 1.00 0.00 C ATOM 0 HA MET B 141 -10.673 0.253 -11.770 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.761 -1.846 -10.313 1.00 0.00 H new ATOM 0 HB3 MET B 141 -9.183 -2.277 -10.942 1.00 0.00 H new ATOM 0 HG2 MET B 141 -8.233 -0.215 -9.974 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.811 0.216 -9.345 1.00 0.00 H new ATOM 0 HE1 MET B 141 -7.243 -0.762 -6.638 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.002 0.524 -7.606 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.886 -0.203 -6.243 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.384 -1.012 -13.639 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.038 -0.883 -14.254 1.00 0.00 C ATOM 1977 C GLU B 142 -6.575 0.566 -14.503 1.00 0.00 C ATOM 1978 O GLU B 142 -5.496 0.960 -14.036 1.00 0.00 O ATOM 1979 CB GLU B 142 -6.938 -1.711 -15.532 1.00 0.00 C ATOM 1980 CG GLU B 142 -5.546 -1.734 -16.140 1.00 0.00 C ATOM 1981 CD GLU B 142 -5.456 -2.637 -17.328 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -5.982 -2.283 -18.390 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -4.867 -3.736 -17.222 1.00 0.00 O ATOM 0 H GLU B 142 -8.948 -1.752 -14.057 1.00 0.00 H new ATOM 0 HA GLU B 142 -6.349 -1.279 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -7.247 -2.734 -15.316 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.639 -1.314 -16.267 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -5.264 -0.723 -16.434 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -4.829 -2.058 -15.386 1.00 0.00 H new ATOM 1990 N SER B 143 -7.383 1.342 -15.187 1.00 0.00 N ATOM 1991 CA SER B 143 -7.042 2.719 -15.504 1.00 0.00 C ATOM 1992 C SER B 143 -6.938 3.572 -14.228 1.00 0.00 C ATOM 1993 O SER B 143 -5.913 4.250 -13.973 1.00 0.00 O ATOM 1994 CB SER B 143 -8.106 3.272 -16.446 1.00 0.00 C ATOM 1995 OG SER B 143 -9.421 2.992 -15.943 1.00 0.00 O ATOM 0 H SER B 143 -8.292 1.043 -15.540 1.00 0.00 H new ATOM 0 HA SER B 143 -6.066 2.753 -15.989 1.00 0.00 H new ATOM 0 HB2 SER B 143 -7.976 4.348 -16.559 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.988 2.831 -17.436 1.00 0.00 H new ATOM 0 HG SER B 143 -10.091 3.355 -16.559 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.977 3.467 -13.417 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.128 4.207 -12.182 1.00 0.00 C ATOM 2003 C ILE B 144 -6.960 3.932 -11.240 1.00 0.00 C ATOM 2004 O ILE B 144 -6.305 4.857 -10.764 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.461 3.814 -11.478 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.652 4.032 -12.429 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.653 4.622 -10.197 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.993 3.595 -11.865 1.00 0.00 C ATOM 0 H ILE B 144 -8.762 2.844 -13.609 1.00 0.00 H new ATOM 0 HA ILE B 144 -8.144 5.269 -12.425 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.411 2.758 -11.214 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.707 5.090 -12.686 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.466 3.488 -13.355 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.590 4.332 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.824 4.427 -9.516 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.682 5.685 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.776 3.784 -12.600 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -11.961 2.530 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -12.206 4.157 -10.955 1.00 0.00 H new ATOM 2020 N ILE B 145 -6.674 2.661 -11.023 1.00 0.00 N ATOM 2021 CA ILE B 145 -5.629 2.265 -10.106 1.00 0.00 C ATOM 2022 C ILE B 145 -4.270 2.671 -10.617 1.00 0.00 C ATOM 2023 O ILE B 145 -3.459 3.141 -9.845 1.00 0.00 O ATOM 2024 CB ILE B 145 -5.693 0.723 -9.711 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -4.657 0.296 -8.622 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -5.576 -0.193 -10.919 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -3.202 0.156 -9.090 1.00 0.00 C ATOM 0 H ILE B 145 -7.156 1.883 -11.474 1.00 0.00 H new ATOM 0 HA ILE B 145 -5.806 2.808 -9.178 1.00 0.00 H new ATOM 0 HB ILE B 145 -6.684 0.606 -9.272 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.688 1.027 -7.814 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -4.975 -0.658 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -5.625 -1.232 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -6.394 0.010 -11.610 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -4.625 -0.015 -11.420 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -2.577 -0.144 -8.249 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -3.143 -0.599 -9.874 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -2.852 1.112 -9.480 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.021 2.532 -11.906 1.00 0.00 N ATOM 2040 CA ARG B 146 -2.703 2.833 -12.397 1.00 0.00 C ATOM 2041 C ARG B 146 -2.372 4.311 -12.220 1.00 0.00 C ATOM 2042 O ARG B 146 -1.443 4.660 -11.486 1.00 0.00 O ATOM 2043 CB ARG B 146 -2.493 2.385 -13.844 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.049 2.536 -14.282 1.00 0.00 C ATOM 2045 CD ARG B 146 -0.793 2.036 -15.685 1.00 0.00 C ATOM 2046 NE ARG B 146 -1.484 2.819 -16.714 1.00 0.00 N ATOM 2047 CZ ARG B 146 -0.934 3.170 -17.889 1.00 0.00 C ATOM 2048 NH1 ARG B 146 0.385 3.062 -18.075 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -1.686 3.699 -18.840 1.00 0.00 N ATOM 0 H ARG B 146 -4.694 2.222 -12.607 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.006 2.254 -11.791 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -2.796 1.343 -13.949 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.135 2.971 -14.502 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -0.767 3.587 -14.221 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -0.408 1.993 -13.588 1.00 0.00 H new ATOM 0 HD2 ARG B 146 0.279 2.057 -15.881 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.110 0.995 -15.756 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.442 3.116 -16.527 1.00 0.00 H new ATOM 0 HH11 ARG B 146 0.979 2.712 -17.323 1.00 0.00 H new ATOM 0 HH12 ARG B 146 0.798 3.330 -18.969 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -2.684 3.841 -18.682 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -1.268 3.965 -19.732 1.00 0.00 H new ATOM 2063 N SER B 147 -3.177 5.160 -12.804 1.00 0.00 N ATOM 2064 CA SER B 147 -2.907 6.575 -12.779 1.00 0.00 C ATOM 2065 C SER B 147 -2.996 7.191 -11.360 1.00 0.00 C ATOM 2066 O SER B 147 -2.168 8.025 -10.994 1.00 0.00 O ATOM 2067 CB SER B 147 -3.829 7.270 -13.761 1.00 0.00 C ATOM 2068 OG SER B 147 -3.677 6.694 -15.068 1.00 0.00 O ATOM 0 H SER B 147 -4.026 4.896 -13.304 1.00 0.00 H new ATOM 0 HA SER B 147 -1.872 6.728 -13.083 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.863 7.176 -13.431 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.601 8.335 -13.795 1.00 0.00 H new ATOM 0 HG SER B 147 -4.277 7.147 -15.697 1.00 0.00 H new ATOM 2074 N GLU B 148 -3.983 6.782 -10.584 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.169 7.328 -9.250 1.00 0.00 C ATOM 2076 C GLU B 148 -3.247 6.665 -8.213 1.00 0.00 C ATOM 2077 O GLU B 148 -2.553 7.350 -7.453 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.640 7.210 -8.834 1.00 0.00 C ATOM 2079 CG GLU B 148 -5.984 7.806 -7.478 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.457 7.723 -7.193 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.228 8.520 -7.783 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -7.883 6.877 -6.399 1.00 0.00 O ATOM 0 H GLU B 148 -4.667 6.075 -10.853 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.892 8.382 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.254 7.696 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.915 6.155 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.432 7.280 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.665 8.848 -7.447 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.210 5.347 -8.223 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.545 4.599 -7.176 1.00 0.00 C ATOM 2091 C LEU B 149 -1.111 4.194 -7.514 1.00 0.00 C ATOM 2092 O LEU B 149 -0.244 4.324 -6.649 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.443 3.407 -6.699 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.958 2.538 -5.506 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.128 1.851 -4.835 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -1.984 1.474 -5.953 1.00 0.00 C ATOM 0 H LEU B 149 -3.635 4.770 -8.949 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.421 5.274 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.420 3.814 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.593 2.744 -7.551 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.463 3.212 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.767 1.248 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.826 2.601 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.635 1.209 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.667 0.886 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.467 0.821 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.114 1.946 -6.410 1.00 0.00 H new