USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 698 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 9 SER OG : rot -100:sc= -0.815 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 22 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.44) USER MOD Single : A 24 ASN : amide:sc= -2.82! C(o=-2.8!,f=-6.4!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.77) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -16:sc= -0.794 USER MOD Single : A 42 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.12) USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= -1.4! (180deg=-3.28!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.05 K(o=-1,f=-0.002) USER MOD Single : A 70 THR OG1 : rot 64:sc= -1.93! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.97! C(o=-2!,f=-5.8!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -1.04 USER MOD Single : A 79 THR OG1 : rot 156:sc= -2.64! USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -42:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 6.077 3.351 -14.643 1.00 0.00 N ATOM 20 CA TYR A 3 4.732 3.124 -14.129 1.00 0.00 C ATOM 21 C TYR A 3 4.430 4.064 -12.965 1.00 0.00 C ATOM 22 O TYR A 3 5.123 4.048 -11.947 1.00 0.00 O ATOM 23 CB TYR A 3 4.575 1.668 -13.682 1.00 0.00 C ATOM 24 CG TYR A 3 3.185 1.325 -13.196 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.104 1.325 -14.068 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.954 1.002 -11.865 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.831 1.013 -13.627 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.686 0.687 -11.416 1.00 0.00 C ATOM 29 CZ TYR A 3 0.628 0.694 -12.302 1.00 0.00 C ATOM 30 OH TYR A 3 -0.637 0.382 -11.859 1.00 0.00 O ATOM 0 HA TYR A 3 4.022 3.329 -14.930 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.831 1.013 -14.515 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.289 1.464 -12.884 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.260 1.573 -15.108 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.780 0.997 -11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.000 1.019 -14.317 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.524 0.437 -10.378 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.607 0.180 -10.900 1.00 0.00 H new ATOM 40 N TRP A 4 3.394 4.882 -13.123 1.00 0.00 N ATOM 41 CA TRP A 4 3.004 5.830 -12.085 1.00 0.00 C ATOM 42 C TRP A 4 1.488 6.036 -12.078 1.00 0.00 C ATOM 43 O TRP A 4 0.963 6.835 -12.854 1.00 0.00 O ATOM 44 CB TRP A 4 3.713 7.170 -12.301 1.00 0.00 C ATOM 45 CG TRP A 4 3.488 8.150 -11.190 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.458 9.038 -11.074 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.318 8.346 -10.039 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.594 9.771 -9.920 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.729 9.365 -9.268 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.501 7.756 -9.585 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.283 9.807 -8.068 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.051 8.196 -8.396 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.442 9.212 -7.649 1.00 0.00 C ATOM 0 H TRP A 4 2.810 4.908 -13.959 1.00 0.00 H new ATOM 0 HA TRP A 4 3.301 5.420 -11.119 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.783 6.993 -12.408 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.367 7.608 -13.237 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.653 9.148 -11.786 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.955 10.499 -9.601 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.977 6.970 -10.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.815 10.590 -7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.966 7.749 -8.037 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.896 9.533 -6.723 1.00 0.00 H new ATOM 64 N PRO A 5 0.763 5.311 -11.204 1.00 0.00 N ATOM 65 CA PRO A 5 -0.698 5.424 -11.105 1.00 0.00 C ATOM 66 C PRO A 5 -1.143 6.808 -10.643 1.00 0.00 C ATOM 67 O PRO A 5 -0.320 7.700 -10.440 1.00 0.00 O ATOM 68 CB PRO A 5 -1.080 4.370 -10.057 1.00 0.00 C ATOM 69 CG PRO A 5 0.104 3.470 -9.950 1.00 0.00 C ATOM 70 CD PRO A 5 1.299 4.324 -10.255 1.00 0.00 C ATOM 0 HA PRO A 5 -1.176 5.273 -12.073 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.308 4.835 -9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.968 3.816 -10.362 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.177 3.038 -8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.028 2.640 -10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.695 4.800 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.110 3.742 -10.692 1.00 0.00 H new ATOM 78 N ALA A 6 -2.451 6.978 -10.480 1.00 0.00 N ATOM 79 CA ALA A 6 -3.006 8.252 -10.037 1.00 0.00 C ATOM 80 C ALA A 6 -3.198 8.265 -8.525 1.00 0.00 C ATOM 81 O ALA A 6 -3.075 7.234 -7.867 1.00 0.00 O ATOM 82 CB ALA A 6 -4.326 8.527 -10.743 1.00 0.00 C ATOM 0 H ALA A 6 -3.146 6.250 -10.648 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.300 9.041 -10.296 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.729 9.481 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.161 8.566 -11.820 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.034 7.731 -10.513 1.00 0.00 H new ATOM 88 N ARG A 7 -3.500 9.438 -7.979 1.00 0.00 N ATOM 89 CA ARG A 7 -3.703 9.582 -6.542 1.00 0.00 C ATOM 90 C ARG A 7 -5.019 8.943 -6.104 1.00 0.00 C ATOM 91 O ARG A 7 -5.988 8.909 -6.864 1.00 0.00 O ATOM 92 CB ARG A 7 -3.686 11.060 -6.148 1.00 0.00 C ATOM 93 CG ARG A 7 -2.372 11.757 -6.460 1.00 0.00 C ATOM 94 CD ARG A 7 -2.395 13.212 -6.025 1.00 0.00 C ATOM 95 NE ARG A 7 -1.132 13.889 -6.307 1.00 0.00 N ATOM 96 CZ ARG A 7 -0.870 15.142 -5.948 1.00 0.00 C ATOM 97 NH1 ARG A 7 -1.779 15.853 -5.295 1.00 0.00 N ATOM 98 NH2 ARG A 7 0.304 15.685 -6.242 1.00 0.00 N ATOM 0 H ARG A 7 -3.610 10.302 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.887 9.067 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.494 11.575 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.889 11.145 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.556 11.239 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.174 11.700 -7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.206 13.730 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.605 13.267 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.410 13.371 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.683 15.439 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.575 16.814 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.006 15.141 -6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.505 16.646 -5.966 1.00 0.00 H new ATOM 112 N HIS A 8 -5.039 8.434 -4.874 1.00 0.00 N ATOM 113 CA HIS A 8 -6.230 7.796 -4.316 1.00 0.00 C ATOM 114 C HIS A 8 -6.638 6.568 -5.127 1.00 0.00 C ATOM 115 O HIS A 8 -7.709 6.002 -4.911 1.00 0.00 O ATOM 116 CB HIS A 8 -7.391 8.792 -4.258 1.00 0.00 C ATOM 117 CG HIS A 8 -7.106 9.995 -3.415 1.00 0.00 C ATOM 118 ND1 HIS A 8 -7.553 10.129 -2.118 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.418 11.129 -3.693 1.00 0.00 C ATOM 120 CE1 HIS A 8 -7.152 11.292 -1.633 1.00 0.00 C ATOM 121 NE2 HIS A 8 -6.462 11.916 -2.570 1.00 0.00 N ATOM 0 H HIS A 8 -4.239 8.451 -4.241 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.986 7.469 -3.305 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.631 9.117 -5.270 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.274 8.286 -3.868 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.927 11.368 -4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.354 11.667 -0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.031 12.835 -2.474 1.00 0.00 H new ATOM 130 N SER A 9 -5.780 6.158 -6.057 1.00 0.00 N ATOM 131 CA SER A 9 -6.061 4.994 -6.891 1.00 0.00 C ATOM 132 C SER A 9 -5.880 3.705 -6.097 1.00 0.00 C ATOM 133 O SER A 9 -5.299 3.713 -5.013 1.00 0.00 O ATOM 134 CB SER A 9 -5.148 4.984 -8.118 1.00 0.00 C ATOM 135 OG SER A 9 -5.352 6.136 -8.915 1.00 0.00 O ATOM 0 H SER A 9 -4.888 6.613 -6.251 1.00 0.00 H new ATOM 0 HA SER A 9 -7.098 5.056 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.107 4.938 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.340 4.089 -8.711 1.00 0.00 H new ATOM 0 HG SER A 9 -5.926 5.910 -9.676 1.00 0.00 H new ATOM 141 N GLY A 10 -6.380 2.601 -6.639 1.00 0.00 N ATOM 142 CA GLY A 10 -6.258 1.326 -5.956 1.00 0.00 C ATOM 143 C GLY A 10 -4.814 0.895 -5.781 1.00 0.00 C ATOM 144 O GLY A 10 -4.345 0.713 -4.658 1.00 0.00 O ATOM 0 H GLY A 10 -6.866 2.565 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.734 1.395 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.796 0.563 -6.519 1.00 0.00 H new ATOM 148 N ALA A 11 -4.111 0.732 -6.895 1.00 0.00 N ATOM 149 CA ALA A 11 -2.712 0.315 -6.860 1.00 0.00 C ATOM 150 C ALA A 11 -1.846 1.323 -6.108 1.00 0.00 C ATOM 151 O ALA A 11 -0.840 0.960 -5.496 1.00 0.00 O ATOM 152 CB ALA A 11 -2.193 0.117 -8.276 1.00 0.00 C ATOM 0 H ALA A 11 -4.484 0.881 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.654 -0.632 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.149 -0.194 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.784 -0.651 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.274 1.054 -8.828 1.00 0.00 H new ATOM 158 N ARG A 12 -2.247 2.587 -6.155 1.00 0.00 N ATOM 159 CA ARG A 12 -1.510 3.652 -5.491 1.00 0.00 C ATOM 160 C ARG A 12 -1.623 3.531 -3.982 1.00 0.00 C ATOM 161 O ARG A 12 -0.622 3.461 -3.266 1.00 0.00 O ATOM 162 CB ARG A 12 -2.070 5.004 -5.928 1.00 0.00 C ATOM 163 CG ARG A 12 -1.069 6.138 -5.841 1.00 0.00 C ATOM 164 CD ARG A 12 -0.968 6.694 -4.430 1.00 0.00 C ATOM 165 NE ARG A 12 -0.003 7.787 -4.341 1.00 0.00 N ATOM 166 CZ ARG A 12 0.017 8.678 -3.355 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.878 8.609 -2.378 1.00 0.00 N ATOM 168 NH2 ARG A 12 0.930 9.639 -3.346 1.00 0.00 N ATOM 0 H ARG A 12 -3.083 2.900 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.460 3.570 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.426 4.924 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.934 5.246 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.090 5.784 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.361 6.934 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.948 7.048 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.677 5.897 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 12 0.696 7.871 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.583 7.871 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.861 9.293 -1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.618 9.695 -4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.944 10.322 -2.589 1.00 0.00 H new ATOM 182 N VAL A 13 -2.860 3.506 -3.514 1.00 0.00 N ATOM 183 CA VAL A 13 -3.143 3.425 -2.094 1.00 0.00 C ATOM 184 C VAL A 13 -2.548 2.175 -1.447 1.00 0.00 C ATOM 185 O VAL A 13 -2.102 2.223 -0.301 1.00 0.00 O ATOM 186 CB VAL A 13 -4.661 3.452 -1.834 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.964 3.172 -0.372 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.250 4.791 -2.253 1.00 0.00 C ATOM 0 H VAL A 13 -3.691 3.541 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.673 4.298 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.123 2.667 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.042 3.196 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.579 2.188 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.488 3.930 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.323 4.792 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.779 5.591 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.070 4.951 -3.316 1.00 0.00 H new ATOM 198 N ILE A 14 -2.534 1.063 -2.176 1.00 0.00 N ATOM 199 CA ILE A 14 -2.014 -0.180 -1.620 1.00 0.00 C ATOM 200 C ILE A 14 -0.493 -0.161 -1.450 1.00 0.00 C ATOM 201 O ILE A 14 0.010 -0.432 -0.364 1.00 0.00 O ATOM 202 CB ILE A 14 -2.432 -1.405 -2.464 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.876 -1.322 -3.888 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.945 -1.537 -2.494 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.226 -2.521 -4.744 1.00 0.00 C ATOM 0 H ILE A 14 -2.871 0.997 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.459 -0.268 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.009 -2.292 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.258 -0.420 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.791 -1.223 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.223 -2.405 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.320 -1.662 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.380 -0.639 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.800 -2.394 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.821 -3.424 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.310 -2.609 -4.822 1.00 0.00 H new ATOM 217 N LEU A 15 0.240 0.155 -2.510 1.00 0.00 N ATOM 218 CA LEU A 15 1.697 0.163 -2.398 1.00 0.00 C ATOM 219 C LEU A 15 2.183 1.176 -1.359 1.00 0.00 C ATOM 220 O LEU A 15 3.159 0.927 -0.651 1.00 0.00 O ATOM 221 CB LEU A 15 2.339 0.453 -3.756 1.00 0.00 C ATOM 222 CG LEU A 15 1.872 -0.453 -4.896 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.068 0.232 -6.237 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.618 -1.775 -4.862 1.00 0.00 C ATOM 0 H LEU A 15 -0.131 0.401 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 15 2.002 -0.829 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.131 1.488 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.421 0.360 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 15 0.808 -0.652 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.730 -0.428 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.491 1.156 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.124 0.461 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.274 -2.408 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.687 -1.592 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.429 -2.275 -3.912 1.00 0.00 H new ATOM 236 N LEU A 16 1.493 2.306 -1.254 1.00 0.00 N ATOM 237 CA LEU A 16 1.892 3.332 -0.311 1.00 0.00 C ATOM 238 C LEU A 16 1.603 2.901 1.122 1.00 0.00 C ATOM 239 O LEU A 16 2.456 2.991 2.010 1.00 0.00 O ATOM 240 CB LEU A 16 1.126 4.608 -0.628 1.00 0.00 C ATOM 241 CG LEU A 16 1.400 5.767 0.313 1.00 0.00 C ATOM 242 CD1 LEU A 16 2.857 6.189 0.227 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.477 6.928 -0.004 1.00 0.00 C ATOM 0 H LEU A 16 0.664 2.529 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 16 2.965 3.501 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.370 4.918 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.059 4.388 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 16 1.204 5.444 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.036 7.021 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.496 5.350 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.086 6.499 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.683 7.753 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.643 7.255 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.559 6.611 0.113 1.00 0.00 H new ATOM 255 N VAL A 17 0.385 2.435 1.335 1.00 0.00 N ATOM 256 CA VAL A 17 -0.044 1.996 2.647 1.00 0.00 C ATOM 257 C VAL A 17 0.768 0.786 3.114 1.00 0.00 C ATOM 258 O VAL A 17 1.117 0.680 4.290 1.00 0.00 O ATOM 259 CB VAL A 17 -1.552 1.693 2.634 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.844 0.297 2.131 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.162 1.917 4.005 1.00 0.00 C ATOM 0 H VAL A 17 -0.327 2.351 0.610 1.00 0.00 H new ATOM 0 HA VAL A 17 0.136 2.799 3.361 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.016 2.390 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.920 0.125 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.467 0.190 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.356 -0.432 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.229 1.696 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.680 1.261 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.016 2.955 4.303 1.00 0.00 H new ATOM 271 N LEU A 18 1.065 -0.128 2.188 1.00 0.00 N ATOM 272 CA LEU A 18 1.875 -1.291 2.520 1.00 0.00 C ATOM 273 C LEU A 18 3.296 -0.852 2.809 1.00 0.00 C ATOM 274 O LEU A 18 4.020 -1.490 3.572 1.00 0.00 O ATOM 275 CB LEU A 18 1.887 -2.284 1.356 1.00 0.00 C ATOM 276 CG LEU A 18 0.767 -3.313 1.347 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.988 -4.348 2.436 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.591 -2.658 1.515 1.00 0.00 C ATOM 0 H LEU A 18 0.759 -0.083 1.216 1.00 0.00 H new ATOM 0 HA LEU A 18 1.447 -1.775 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.844 -1.721 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.840 -2.813 1.365 1.00 0.00 H new ATOM 0 HG LEU A 18 0.782 -3.810 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.178 -5.077 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.937 -4.856 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.008 -3.855 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.368 -3.423 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.622 -2.123 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.760 -1.957 0.698 1.00 0.00 H new ATOM 290 N TYR A 19 3.682 0.252 2.183 1.00 0.00 N ATOM 291 CA TYR A 19 5.030 0.784 2.346 1.00 0.00 C ATOM 292 C TYR A 19 5.377 1.024 3.807 1.00 0.00 C ATOM 293 O TYR A 19 6.292 0.398 4.335 1.00 0.00 O ATOM 294 CB TYR A 19 5.188 2.084 1.554 1.00 0.00 C ATOM 295 CG TYR A 19 6.521 2.770 1.762 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.633 2.426 1.005 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.662 3.767 2.720 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.850 3.055 1.197 1.00 0.00 C ATOM 299 CE2 TYR A 19 7.873 4.400 2.918 1.00 0.00 C ATOM 300 CZ TYR A 19 8.963 4.042 2.155 1.00 0.00 C ATOM 301 OH TYR A 19 10.171 4.671 2.354 1.00 0.00 O ATOM 0 H TYR A 19 3.084 0.795 1.560 1.00 0.00 H new ATOM 0 HA TYR A 19 5.721 0.035 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.063 1.869 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.389 2.770 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.546 1.655 0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.810 4.051 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.706 2.775 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.965 5.172 3.667 1.00 0.00 H new ATOM 0 HH TYR A 19 10.078 5.340 3.064 1.00 0.00 H new ATOM 311 N ARG A 20 4.630 1.893 4.476 1.00 0.00 N ATOM 312 CA ARG A 20 4.919 2.196 5.876 1.00 0.00 C ATOM 313 C ARG A 20 4.908 0.930 6.735 1.00 0.00 C ATOM 314 O ARG A 20 5.853 0.674 7.483 1.00 0.00 O ATOM 315 CB ARG A 20 3.935 3.235 6.419 1.00 0.00 C ATOM 316 CG ARG A 20 2.476 2.840 6.284 1.00 0.00 C ATOM 317 CD ARG A 20 1.925 2.293 7.590 1.00 0.00 C ATOM 318 NE ARG A 20 1.886 3.311 8.638 1.00 0.00 N ATOM 319 CZ ARG A 20 1.370 3.106 9.846 1.00 0.00 C ATOM 320 NH1 ARG A 20 0.850 1.927 10.158 1.00 0.00 N ATOM 321 NH2 ARG A 20 1.374 4.082 10.744 1.00 0.00 N ATOM 0 H ARG A 20 3.833 2.394 4.083 1.00 0.00 H new ATOM 0 HA ARG A 20 5.923 2.618 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.156 3.413 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.094 4.178 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.890 3.706 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.372 2.089 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.920 1.904 7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.540 1.456 7.921 1.00 0.00 H new ATOM 0 HE ARG A 20 2.277 4.230 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.845 1.174 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.455 1.773 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.773 4.991 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.978 3.924 11.671 1.00 0.00 H new ATOM 335 N GLU A 21 3.840 0.149 6.628 1.00 0.00 N ATOM 336 CA GLU A 21 3.777 -1.077 7.417 1.00 0.00 C ATOM 337 C GLU A 21 4.950 -1.995 7.084 1.00 0.00 C ATOM 338 O GLU A 21 5.378 -2.795 7.912 1.00 0.00 O ATOM 339 CB GLU A 21 2.454 -1.804 7.196 1.00 0.00 C ATOM 340 CG GLU A 21 2.260 -2.981 8.137 1.00 0.00 C ATOM 341 CD GLU A 21 2.437 -2.603 9.594 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.502 -2.009 10.172 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.511 -2.899 10.157 1.00 0.00 O ATOM 0 H GLU A 21 3.035 0.330 6.028 1.00 0.00 H new ATOM 0 HA GLU A 21 3.842 -0.800 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.632 -1.100 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.408 -2.158 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.262 -3.395 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.971 -3.766 7.881 1.00 0.00 H new ATOM 350 N HIS A 22 5.455 -1.884 5.863 1.00 0.00 N ATOM 351 CA HIS A 22 6.588 -2.711 5.460 1.00 0.00 C ATOM 352 C HIS A 22 7.862 -2.247 6.159 1.00 0.00 C ATOM 353 O HIS A 22 8.665 -3.063 6.615 1.00 0.00 O ATOM 354 CB HIS A 22 6.769 -2.662 3.943 1.00 0.00 C ATOM 355 CG HIS A 22 8.000 -3.362 3.448 1.00 0.00 C ATOM 356 ND1 HIS A 22 7.961 -4.549 2.747 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.310 -3.025 3.537 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.191 -4.911 2.428 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.027 -4.004 2.896 1.00 0.00 N ATOM 0 H HIS A 22 5.109 -1.245 5.147 1.00 0.00 H new ATOM 0 HA HIS A 22 6.386 -3.741 5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.895 -3.109 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.805 -1.620 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.714 -2.149 4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.465 -5.799 1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.042 -4.027 2.797 1.00 0.00 H new ATOM 368 N LEU A 23 8.039 -0.932 6.239 1.00 0.00 N ATOM 369 CA LEU A 23 9.213 -0.359 6.883 1.00 0.00 C ATOM 370 C LEU A 23 9.209 -0.628 8.381 1.00 0.00 C ATOM 371 O LEU A 23 10.177 -0.321 9.075 1.00 0.00 O ATOM 372 CB LEU A 23 9.279 1.147 6.630 1.00 0.00 C ATOM 373 CG LEU A 23 9.848 1.547 5.271 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.877 1.211 4.151 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.199 3.027 5.253 1.00 0.00 C ATOM 0 H LEU A 23 7.384 -0.245 5.866 1.00 0.00 H new ATOM 0 HA LEU A 23 10.092 -0.836 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.275 1.560 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.886 1.605 7.411 1.00 0.00 H new ATOM 0 HG LEU A 23 10.761 0.974 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.308 1.507 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.685 0.138 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.941 1.747 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.603 3.293 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.303 3.616 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.943 3.234 6.022 1.00 0.00 H new ATOM 387 N ASN A 24 8.117 -1.205 8.871 1.00 0.00 N ATOM 388 CA ASN A 24 7.988 -1.509 10.291 1.00 0.00 C ATOM 389 C ASN A 24 9.092 -2.441 10.782 1.00 0.00 C ATOM 390 O ASN A 24 9.103 -3.627 10.453 1.00 0.00 O ATOM 391 CB ASN A 24 6.630 -2.138 10.584 1.00 0.00 C ATOM 392 CG ASN A 24 5.608 -1.106 11.003 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.927 -0.513 10.169 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.499 -0.883 12.305 1.00 0.00 N ATOM 0 H ASN A 24 7.310 -1.471 8.307 1.00 0.00 H new ATOM 0 HA ASN A 24 8.079 -0.563 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.274 -2.662 9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.738 -2.883 11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.829 -0.196 12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.085 -1.399 12.962 1.00 0.00 H new ATOM 401 N PRO A 25 10.039 -1.913 11.577 1.00 0.00 N ATOM 402 CA PRO A 25 11.132 -2.708 12.137 1.00 0.00 C ATOM 403 C PRO A 25 10.621 -3.723 13.148 1.00 0.00 C ATOM 404 O PRO A 25 11.140 -4.834 13.254 1.00 0.00 O ATOM 405 CB PRO A 25 12.019 -1.680 12.849 1.00 0.00 C ATOM 406 CG PRO A 25 11.576 -0.349 12.345 1.00 0.00 C ATOM 407 CD PRO A 25 10.128 -0.503 11.980 1.00 0.00 C ATOM 0 HA PRO A 25 11.654 -3.273 11.365 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.905 -1.747 13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.072 -1.852 12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.706 0.419 13.107 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.166 -0.044 11.481 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.473 -0.282 12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.842 0.168 11.170 1.00 0.00 H new ATOM 415 N ASN A 26 9.594 -3.323 13.890 1.00 0.00 N ATOM 416 CA ASN A 26 9.010 -4.187 14.905 1.00 0.00 C ATOM 417 C ASN A 26 7.681 -4.765 14.442 1.00 0.00 C ATOM 418 O ASN A 26 7.186 -5.744 15.000 1.00 0.00 O ATOM 419 CB ASN A 26 8.813 -3.410 16.207 1.00 0.00 C ATOM 420 CG ASN A 26 10.121 -3.135 16.921 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.570 -3.930 17.749 1.00 0.00 O ATOM 422 ND2 ASN A 26 10.742 -2.004 16.606 1.00 0.00 N ATOM 0 H ASN A 26 9.151 -2.408 13.807 1.00 0.00 H new ATOM 0 HA ASN A 26 9.699 -5.014 15.077 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.315 -2.465 15.991 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.154 -3.974 16.867 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.626 -1.765 17.055 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.335 -1.374 15.915 1.00 0.00 H new ATOM 429 N GLY A 27 7.113 -4.148 13.420 1.00 0.00 N ATOM 430 CA GLY A 27 5.841 -4.602 12.890 1.00 0.00 C ATOM 431 C GLY A 27 6.004 -5.599 11.761 1.00 0.00 C ATOM 432 O GLY A 27 7.123 -5.982 11.418 1.00 0.00 O ATOM 0 H GLY A 27 7.510 -3.338 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.259 -5.058 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.273 -3.743 12.532 1.00 0.00 H new ATOM 436 N HIS A 28 4.884 -6.019 11.183 1.00 0.00 N ATOM 437 CA HIS A 28 4.911 -6.976 10.085 1.00 0.00 C ATOM 438 C HIS A 28 5.105 -6.261 8.754 1.00 0.00 C ATOM 439 O HIS A 28 4.531 -5.198 8.521 1.00 0.00 O ATOM 440 CB HIS A 28 3.614 -7.788 10.058 1.00 0.00 C ATOM 441 CG HIS A 28 3.386 -8.591 11.300 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.650 -9.942 11.382 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.913 -8.228 12.516 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.349 -10.375 12.594 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.901 -9.355 13.301 1.00 0.00 N ATOM 0 H HIS A 28 3.950 -5.713 11.456 1.00 0.00 H new ATOM 0 HA HIS A 28 5.751 -7.653 10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.773 -7.110 9.914 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.633 -8.459 9.199 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.603 -7.237 12.813 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.452 -11.391 12.946 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.595 -9.397 14.273 1.00 0.00 H new ATOM 454 N HIS A 29 5.917 -6.850 7.883 1.00 0.00 N ATOM 455 CA HIS A 29 6.189 -6.266 6.574 1.00 0.00 C ATOM 456 C HIS A 29 5.058 -6.570 5.595 1.00 0.00 C ATOM 457 O HIS A 29 5.286 -6.710 4.394 1.00 0.00 O ATOM 458 CB HIS A 29 7.514 -6.798 6.023 1.00 0.00 C ATOM 459 CG HIS A 29 8.706 -6.386 6.829 1.00 0.00 C ATOM 460 ND1 HIS A 29 9.758 -5.664 6.303 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.014 -6.600 8.130 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.661 -5.455 7.245 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.233 -6.012 8.362 1.00 0.00 N ATOM 0 H HIS A 29 6.399 -7.732 8.059 1.00 0.00 H new ATOM 0 HA HIS A 29 6.259 -5.185 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.471 -7.886 5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.639 -6.447 4.999 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.413 -7.134 8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 29 11.591 -4.920 7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.728 -6.007 9.254 1.00 0.00 H new ATOM 472 N PHE A 30 3.838 -6.656 6.115 1.00 0.00 N ATOM 473 CA PHE A 30 2.674 -6.950 5.280 1.00 0.00 C ATOM 474 C PHE A 30 1.376 -6.506 5.945 1.00 0.00 C ATOM 475 O PHE A 30 1.373 -6.030 7.080 1.00 0.00 O ATOM 476 CB PHE A 30 2.584 -8.451 4.970 1.00 0.00 C ATOM 477 CG PHE A 30 2.419 -9.316 6.189 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.161 -9.551 6.721 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.519 -9.898 6.799 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.002 -10.348 7.837 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.366 -10.698 7.916 1.00 0.00 C ATOM 482 CZ PHE A 30 2.105 -10.922 8.435 1.00 0.00 C ATOM 0 H PHE A 30 3.628 -6.527 7.105 1.00 0.00 H new ATOM 0 HA PHE A 30 2.805 -6.391 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.744 -8.623 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.485 -8.757 4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.294 -9.105 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.506 -9.725 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.016 -10.522 8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.230 -11.147 8.382 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.983 -11.546 9.308 1.00 0.00 H new ATOM 492 N LEU A 31 0.275 -6.684 5.219 1.00 0.00 N ATOM 493 CA LEU A 31 -1.044 -6.325 5.711 1.00 0.00 C ATOM 494 C LEU A 31 -2.125 -7.069 4.937 1.00 0.00 C ATOM 495 O LEU A 31 -1.911 -7.486 3.798 1.00 0.00 O ATOM 496 CB LEU A 31 -1.277 -4.824 5.572 1.00 0.00 C ATOM 497 CG LEU A 31 -0.692 -3.958 6.685 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.927 -2.484 6.393 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.292 -4.337 8.032 1.00 0.00 C ATOM 0 H LEU A 31 0.276 -7.079 4.279 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.095 -6.604 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.856 -4.496 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.351 -4.644 5.523 1.00 0.00 H new ATOM 0 HG LEU A 31 0.383 -4.134 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.503 -1.882 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.448 -2.219 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.998 -2.293 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.862 -3.708 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.372 -4.192 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.072 -5.383 8.247 1.00 0.00 H new ATOM 511 N THR A 32 -3.285 -7.234 5.560 1.00 0.00 N ATOM 512 CA THR A 32 -4.401 -7.909 4.915 1.00 0.00 C ATOM 513 C THR A 32 -5.356 -6.882 4.321 1.00 0.00 C ATOM 514 O THR A 32 -5.447 -5.760 4.817 1.00 0.00 O ATOM 515 CB THR A 32 -5.166 -8.812 5.903 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.760 -8.017 6.935 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.233 -9.842 6.525 1.00 0.00 C ATOM 0 H THR A 32 -3.476 -6.910 6.508 1.00 0.00 H new ATOM 0 HA THR A 32 -3.995 -8.539 4.124 1.00 0.00 H new ATOM 0 HB THR A 32 -5.948 -9.335 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.245 -8.598 7.557 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.793 -10.469 7.219 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.803 -10.464 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.434 -9.331 7.062 1.00 0.00 H new ATOM 525 N LYS A 33 -6.067 -7.266 3.265 1.00 0.00 N ATOM 526 CA LYS A 33 -6.994 -6.330 2.627 1.00 0.00 C ATOM 527 C LYS A 33 -7.936 -5.708 3.647 1.00 0.00 C ATOM 528 O LYS A 33 -8.341 -4.554 3.510 1.00 0.00 O ATOM 529 CB LYS A 33 -7.810 -7.047 1.555 1.00 0.00 C ATOM 530 CG LYS A 33 -8.386 -6.109 0.506 1.00 0.00 C ATOM 531 CD LYS A 33 -9.176 -6.865 -0.549 1.00 0.00 C ATOM 532 CE LYS A 33 -9.749 -5.923 -1.598 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.534 -6.654 -2.632 1.00 0.00 N ATOM 0 H LYS A 33 -6.024 -8.192 2.840 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.404 -5.536 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.179 -7.787 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.625 -7.591 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.032 -5.376 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.577 -5.556 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.531 -7.599 -1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.986 -7.417 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.387 -5.184 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.937 -5.377 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.907 -5.977 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.919 -7.341 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.324 -7.155 -2.178 1.00 0.00 H new ATOM 547 N GLU A 34 -8.279 -6.477 4.668 1.00 0.00 N ATOM 548 CA GLU A 34 -9.166 -5.993 5.715 1.00 0.00 C ATOM 549 C GLU A 34 -8.490 -4.890 6.527 1.00 0.00 C ATOM 550 O GLU A 34 -9.131 -3.916 6.922 1.00 0.00 O ATOM 551 CB GLU A 34 -9.576 -7.143 6.634 1.00 0.00 C ATOM 552 CG GLU A 34 -10.338 -8.250 5.923 1.00 0.00 C ATOM 553 CD GLU A 34 -11.628 -7.759 5.296 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.671 -7.790 5.981 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.595 -7.345 4.117 1.00 0.00 O ATOM 0 H GLU A 34 -7.958 -7.437 4.794 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.058 -5.580 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.683 -7.566 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.194 -6.749 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.704 -8.684 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.563 -9.045 6.633 1.00 0.00 H new ATOM 562 N GLU A 35 -7.192 -5.052 6.772 1.00 0.00 N ATOM 563 CA GLU A 35 -6.432 -4.067 7.536 1.00 0.00 C ATOM 564 C GLU A 35 -6.205 -2.802 6.717 1.00 0.00 C ATOM 565 O GLU A 35 -6.249 -1.693 7.247 1.00 0.00 O ATOM 566 CB GLU A 35 -5.089 -4.650 7.980 1.00 0.00 C ATOM 567 CG GLU A 35 -5.222 -5.788 8.980 1.00 0.00 C ATOM 568 CD GLU A 35 -3.882 -6.380 9.370 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.280 -5.894 10.350 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.434 -7.331 8.693 1.00 0.00 O ATOM 0 H GLU A 35 -6.646 -5.853 6.454 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.013 -3.808 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.550 -5.009 7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.486 -3.857 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.728 -5.424 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.850 -6.570 8.554 1.00 0.00 H new ATOM 577 N LEU A 36 -5.959 -2.982 5.423 1.00 0.00 N ATOM 578 CA LEU A 36 -5.728 -1.838 4.549 1.00 0.00 C ATOM 579 C LEU A 36 -6.889 -0.852 4.614 1.00 0.00 C ATOM 580 O LEU A 36 -6.700 0.348 4.430 1.00 0.00 O ATOM 581 CB LEU A 36 -5.529 -2.305 3.107 1.00 0.00 C ATOM 582 CG LEU A 36 -4.566 -3.478 2.926 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.381 -3.813 1.454 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.224 -3.171 3.566 1.00 0.00 C ATOM 0 H LEU A 36 -5.915 -3.891 4.963 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.826 -1.332 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.499 -2.586 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.165 -1.464 2.517 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.001 -4.346 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.691 -4.651 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.343 -4.082 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.976 -2.946 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.552 -4.018 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.793 -2.285 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.362 -2.989 4.632 1.00 0.00 H new ATOM 596 N LEU A 37 -8.090 -1.365 4.859 1.00 0.00 N ATOM 597 CA LEU A 37 -9.272 -0.515 4.949 1.00 0.00 C ATOM 598 C LEU A 37 -9.060 0.596 5.974 1.00 0.00 C ATOM 599 O LEU A 37 -9.244 1.776 5.672 1.00 0.00 O ATOM 600 CB LEU A 37 -10.496 -1.354 5.326 1.00 0.00 C ATOM 601 CG LEU A 37 -10.844 -2.477 4.346 1.00 0.00 C ATOM 602 CD1 LEU A 37 -12.030 -3.281 4.857 1.00 0.00 C ATOM 603 CD2 LEU A 37 -11.141 -1.910 2.965 1.00 0.00 C ATOM 0 H LEU A 37 -8.270 -2.359 4.998 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.442 -0.057 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.327 -1.792 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.357 -0.692 5.415 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.984 -3.142 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.264 -4.075 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.783 -3.719 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.894 -2.626 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.386 -2.724 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.984 -1.222 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.265 -1.377 2.594 1.00 0.00 H new ATOM 615 N GLN A 38 -8.674 0.211 7.187 1.00 0.00 N ATOM 616 CA GLN A 38 -8.425 1.176 8.253 1.00 0.00 C ATOM 617 C GLN A 38 -7.105 1.909 8.022 1.00 0.00 C ATOM 618 O GLN A 38 -7.007 3.118 8.226 1.00 0.00 O ATOM 619 CB GLN A 38 -8.402 0.472 9.612 1.00 0.00 C ATOM 620 CG GLN A 38 -8.174 1.414 10.783 1.00 0.00 C ATOM 621 CD GLN A 38 -8.156 0.692 12.117 1.00 0.00 C ATOM 622 OE1 GLN A 38 -7.105 0.251 12.583 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.323 0.565 12.737 1.00 0.00 N ATOM 0 H GLN A 38 -8.527 -0.762 7.456 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.233 1.907 8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.347 -0.051 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.617 -0.284 9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.228 1.938 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.959 2.171 10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.169 0.946 12.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.373 0.086 13.636 1.00 0.00 H new ATOM 632 N ARG A 39 -6.095 1.156 7.600 1.00 0.00 N ATOM 633 CA ARG A 39 -4.773 1.704 7.336 1.00 0.00 C ATOM 634 C ARG A 39 -4.835 2.883 6.369 1.00 0.00 C ATOM 635 O ARG A 39 -4.240 3.934 6.606 1.00 0.00 O ATOM 636 CB ARG A 39 -3.890 0.606 6.755 1.00 0.00 C ATOM 637 CG ARG A 39 -2.420 0.806 7.037 1.00 0.00 C ATOM 638 CD ARG A 39 -2.092 0.529 8.494 1.00 0.00 C ATOM 639 NE ARG A 39 -2.570 1.585 9.383 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.536 1.505 10.710 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.049 0.422 11.300 1.00 0.00 N ATOM 642 NH2 ARG A 39 -2.989 2.509 11.447 1.00 0.00 N ATOM 0 H ARG A 39 -6.171 0.153 7.432 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.357 2.069 8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.203 -0.355 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.042 0.560 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.833 0.146 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.136 1.828 6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.538 -0.421 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.013 0.423 8.607 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.952 2.432 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.699 -0.352 10.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.024 0.363 12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.364 3.344 10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.963 2.447 12.465 1.00 0.00 H new ATOM 656 N CYS A 40 -5.561 2.686 5.281 1.00 0.00 N ATOM 657 CA CYS A 40 -5.725 3.710 4.251 1.00 0.00 C ATOM 658 C CYS A 40 -6.239 5.020 4.843 1.00 0.00 C ATOM 659 O CYS A 40 -5.931 6.100 4.338 1.00 0.00 O ATOM 660 CB CYS A 40 -6.686 3.221 3.167 1.00 0.00 C ATOM 661 SG CYS A 40 -7.077 4.463 1.913 1.00 0.00 S ATOM 0 H CYS A 40 -6.054 1.815 5.083 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.745 3.896 3.811 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.251 2.350 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.612 2.892 3.639 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.741 5.641 2.349 1.00 0.00 H new ATOM 667 N ALA A 41 -7.040 4.918 5.898 1.00 0.00 N ATOM 668 CA ALA A 41 -7.586 6.114 6.535 1.00 0.00 C ATOM 669 C ALA A 41 -6.490 7.132 6.837 1.00 0.00 C ATOM 670 O ALA A 41 -6.731 8.339 6.820 1.00 0.00 O ATOM 671 CB ALA A 41 -8.331 5.751 7.809 1.00 0.00 C ATOM 0 H ALA A 41 -7.323 4.036 6.326 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.287 6.569 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.730 6.656 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.151 5.074 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.647 5.263 8.504 1.00 0.00 H new ATOM 677 N GLN A 42 -5.287 6.641 7.118 1.00 0.00 N ATOM 678 CA GLN A 42 -4.171 7.535 7.408 1.00 0.00 C ATOM 679 C GLN A 42 -3.458 7.891 6.118 1.00 0.00 C ATOM 680 O GLN A 42 -2.792 8.920 6.011 1.00 0.00 O ATOM 681 CB GLN A 42 -3.195 6.877 8.386 1.00 0.00 C ATOM 682 CG GLN A 42 -3.823 6.512 9.721 1.00 0.00 C ATOM 683 CD GLN A 42 -4.368 7.720 10.459 1.00 0.00 C ATOM 684 OE1 GLN A 42 -5.528 8.094 10.292 1.00 0.00 O ATOM 685 NE2 GLN A 42 -3.528 8.338 11.283 1.00 0.00 N ATOM 0 H GLN A 42 -5.062 5.647 7.151 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.557 8.444 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.787 5.976 7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.358 7.553 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.629 5.798 9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.080 6.015 10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.574 7.994 11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.837 9.157 11.807 1.00 0.00 H new ATOM 694 N LYS A 43 -3.615 7.013 5.141 1.00 0.00 N ATOM 695 CA LYS A 43 -3.022 7.190 3.831 1.00 0.00 C ATOM 696 C LYS A 43 -3.652 8.387 3.124 1.00 0.00 C ATOM 697 O LYS A 43 -3.035 9.008 2.257 1.00 0.00 O ATOM 698 CB LYS A 43 -3.198 5.893 3.036 1.00 0.00 C ATOM 699 CG LYS A 43 -2.652 5.941 1.616 1.00 0.00 C ATOM 700 CD LYS A 43 -3.639 6.578 0.659 1.00 0.00 C ATOM 701 CE LYS A 43 -2.982 6.946 -0.661 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.908 7.696 -1.554 1.00 0.00 N ATOM 0 H LYS A 43 -4.159 6.156 5.237 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.956 7.400 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.705 5.083 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.259 5.649 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.718 6.503 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.420 4.930 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.464 5.890 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.064 7.472 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.095 7.550 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.647 6.039 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.760 7.395 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.891 7.502 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.720 8.716 -1.472 1.00 0.00 H new ATOM 885 N PRO A 56 -9.727 -5.470 -6.251 1.00 0.00 N ATOM 886 CA PRO A 56 -9.173 -6.753 -6.703 1.00 0.00 C ATOM 887 C PRO A 56 -7.902 -6.542 -7.517 1.00 0.00 C ATOM 888 O PRO A 56 -7.209 -7.495 -7.877 1.00 0.00 O ATOM 889 CB PRO A 56 -10.279 -7.343 -7.580 1.00 0.00 C ATOM 890 CG PRO A 56 -11.531 -6.700 -7.097 1.00 0.00 C ATOM 891 CD PRO A 56 -11.140 -5.319 -6.654 1.00 0.00 C ATOM 0 HA PRO A 56 -8.897 -7.403 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.105 -7.128 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.327 -8.427 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.280 -6.659 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.968 -7.265 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.252 -4.593 -7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.758 -4.974 -5.826 1.00 0.00 H new ATOM 899 N ALA A 57 -7.613 -5.273 -7.802 1.00 0.00 N ATOM 900 CA ALA A 57 -6.431 -4.892 -8.561 1.00 0.00 C ATOM 901 C ALA A 57 -5.165 -5.490 -7.954 1.00 0.00 C ATOM 902 O ALA A 57 -4.136 -5.586 -8.622 1.00 0.00 O ATOM 903 CB ALA A 57 -6.331 -3.376 -8.621 1.00 0.00 C ATOM 0 H ALA A 57 -8.192 -4.485 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.527 -5.287 -9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.445 -3.092 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.219 -2.972 -9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.257 -2.976 -7.610 1.00 0.00 H new ATOM 909 N LEU A 58 -5.245 -5.884 -6.685 1.00 0.00 N ATOM 910 CA LEU A 58 -4.104 -6.482 -5.998 1.00 0.00 C ATOM 911 C LEU A 58 -3.496 -7.598 -6.838 1.00 0.00 C ATOM 912 O LEU A 58 -2.286 -7.634 -7.058 1.00 0.00 O ATOM 913 CB LEU A 58 -4.528 -7.033 -4.633 1.00 0.00 C ATOM 914 CG LEU A 58 -4.183 -6.149 -3.431 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.679 -5.939 -3.339 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.905 -4.813 -3.517 1.00 0.00 C ATOM 0 H LEU A 58 -6.086 -5.800 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.354 -5.705 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.606 -7.196 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.060 -8.007 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.517 -6.658 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.452 -5.309 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.183 -6.903 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.323 -5.455 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.644 -4.202 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.607 -4.296 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.982 -4.982 -3.531 1.00 0.00 H new ATOM 928 N ARG A 59 -4.346 -8.504 -7.305 1.00 0.00 N ATOM 929 CA ARG A 59 -3.902 -9.619 -8.132 1.00 0.00 C ATOM 930 C ARG A 59 -3.153 -9.113 -9.361 1.00 0.00 C ATOM 931 O ARG A 59 -2.204 -9.744 -9.827 1.00 0.00 O ATOM 932 CB ARG A 59 -5.098 -10.469 -8.564 1.00 0.00 C ATOM 933 CG ARG A 59 -5.883 -11.052 -7.399 1.00 0.00 C ATOM 934 CD ARG A 59 -7.067 -11.872 -7.881 1.00 0.00 C ATOM 935 NE ARG A 59 -7.829 -12.440 -6.771 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.953 -13.134 -6.925 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.445 -13.344 -8.139 1.00 0.00 N ATOM 938 NH2 ARG A 59 -9.586 -13.618 -5.865 1.00 0.00 N ATOM 0 H ARG A 59 -5.350 -8.488 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.225 -10.234 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.766 -9.859 -9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.745 -11.283 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.227 -11.678 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.235 -10.245 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.721 -11.243 -8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.712 -12.676 -8.526 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.479 -12.296 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.961 -12.973 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.307 -13.877 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.211 -13.458 -4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.448 -14.150 -5.985 1.00 0.00 H new ATOM 952 N SER A 60 -3.590 -7.969 -9.879 1.00 0.00 N ATOM 953 CA SER A 60 -2.956 -7.382 -11.053 1.00 0.00 C ATOM 954 C SER A 60 -1.536 -6.923 -10.737 1.00 0.00 C ATOM 955 O SER A 60 -0.638 -7.041 -11.573 1.00 0.00 O ATOM 956 CB SER A 60 -3.780 -6.202 -11.572 1.00 0.00 C ATOM 957 OG SER A 60 -5.094 -6.608 -11.913 1.00 0.00 O ATOM 0 H SER A 60 -4.375 -7.434 -9.507 1.00 0.00 H new ATOM 0 HA SER A 60 -2.907 -8.150 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.823 -5.422 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.292 -5.769 -12.445 1.00 0.00 H new ATOM 0 HG SER A 60 -5.601 -5.835 -12.240 1.00 0.00 H new ATOM 963 N LEU A 61 -1.335 -6.401 -9.530 1.00 0.00 N ATOM 964 CA LEU A 61 -0.016 -5.930 -9.120 1.00 0.00 C ATOM 965 C LEU A 61 0.915 -7.097 -8.811 1.00 0.00 C ATOM 966 O LEU A 61 2.089 -7.070 -9.178 1.00 0.00 O ATOM 967 CB LEU A 61 -0.115 -4.994 -7.917 1.00 0.00 C ATOM 968 CG LEU A 61 -0.536 -3.566 -8.255 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.049 -3.424 -8.195 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.145 -2.582 -7.320 1.00 0.00 C ATOM 0 H LEU A 61 -2.063 -6.294 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 61 0.405 -5.370 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.829 -5.411 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.852 -4.964 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.221 -3.340 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.328 -2.399 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.507 -4.105 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.398 -3.666 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.164 -1.567 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.138 -2.803 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.226 -2.669 -7.425 1.00 0.00 H new ATOM 982 N LEU A 62 0.396 -8.114 -8.126 1.00 0.00 N ATOM 983 CA LEU A 62 1.190 -9.291 -7.803 1.00 0.00 C ATOM 984 C LEU A 62 1.829 -9.816 -9.077 1.00 0.00 C ATOM 985 O LEU A 62 2.964 -10.293 -9.081 1.00 0.00 O ATOM 986 CB LEU A 62 0.307 -10.379 -7.192 1.00 0.00 C ATOM 987 CG LEU A 62 -0.449 -9.988 -5.920 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.612 -10.939 -5.690 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.482 -9.998 -4.716 1.00 0.00 C ATOM 0 H LEU A 62 -0.565 -8.144 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 62 1.959 -9.018 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.419 -10.694 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.931 -11.244 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.837 -8.977 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.143 -10.652 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.294 -10.892 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.235 -11.956 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.076 -9.717 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.897 -10.997 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.292 -9.287 -4.877 1.00 0.00 H new ATOM 1001 N HIS A 63 1.067 -9.714 -10.158 1.00 0.00 N ATOM 1002 CA HIS A 63 1.521 -10.151 -11.465 1.00 0.00 C ATOM 1003 C HIS A 63 2.712 -9.316 -11.921 1.00 0.00 C ATOM 1004 O HIS A 63 3.657 -9.838 -12.512 1.00 0.00 O ATOM 1005 CB HIS A 63 0.375 -10.031 -12.467 1.00 0.00 C ATOM 1006 CG HIS A 63 0.737 -10.467 -13.854 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.511 -11.744 -14.325 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.308 -9.787 -14.878 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.928 -11.830 -15.576 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.415 -10.657 -15.934 1.00 0.00 N ATOM 0 H HIS A 63 0.123 -9.328 -10.151 1.00 0.00 H new ATOM 0 HA HIS A 63 1.838 -11.192 -11.404 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.466 -10.629 -12.116 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.039 -8.995 -12.498 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.621 -8.753 -14.865 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.879 -12.711 -16.199 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.808 -10.433 -16.848 1.00 0.00 H new ATOM 1019 N ARG A 64 2.657 -8.016 -11.643 1.00 0.00 N ATOM 1020 CA ARG A 64 3.735 -7.114 -12.018 1.00 0.00 C ATOM 1021 C ARG A 64 4.914 -7.271 -11.069 1.00 0.00 C ATOM 1022 O ARG A 64 5.970 -6.670 -11.268 1.00 0.00 O ATOM 1023 CB ARG A 64 3.240 -5.668 -12.014 1.00 0.00 C ATOM 1024 CG ARG A 64 2.085 -5.423 -12.970 1.00 0.00 C ATOM 1025 CD ARG A 64 1.765 -3.942 -13.090 1.00 0.00 C ATOM 1026 NE ARG A 64 0.661 -3.696 -14.014 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.599 -2.646 -14.827 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.579 -1.753 -14.837 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.442 -2.490 -15.633 1.00 0.00 N ATOM 0 H ARG A 64 1.878 -7.567 -11.161 1.00 0.00 H new ATOM 0 HA ARG A 64 4.065 -7.368 -13.025 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.929 -5.401 -11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.066 -5.008 -12.278 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.334 -5.823 -13.953 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.203 -5.960 -12.621 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.511 -3.545 -12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.650 -3.406 -13.432 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.106 -4.368 -14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.383 -1.871 -14.220 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.529 -0.948 -15.462 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.197 -3.176 -15.630 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.488 -1.684 -16.256 1.00 0.00 H new ATOM 1043 N ASN A 65 4.716 -8.083 -10.031 1.00 0.00 N ATOM 1044 CA ASN A 65 5.761 -8.345 -9.043 1.00 0.00 C ATOM 1045 C ASN A 65 6.047 -7.118 -8.180 1.00 0.00 C ATOM 1046 O ASN A 65 7.118 -7.012 -7.584 1.00 0.00 O ATOM 1047 CB ASN A 65 7.046 -8.815 -9.730 1.00 0.00 C ATOM 1048 CG ASN A 65 6.840 -10.076 -10.548 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.511 -10.291 -11.558 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.909 -10.919 -10.115 1.00 0.00 N ATOM 0 H ASN A 65 3.839 -8.572 -9.853 1.00 0.00 H new ATOM 0 HA ASN A 65 5.396 -9.136 -8.388 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.418 -8.022 -10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.812 -8.996 -8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.727 -11.784 -10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.376 -10.702 -9.273 1.00 0.00 H new ATOM 1057 N LEU A 66 5.090 -6.196 -8.108 1.00 0.00 N ATOM 1058 CA LEU A 66 5.262 -4.998 -7.291 1.00 0.00 C ATOM 1059 C LEU A 66 4.834 -5.284 -5.861 1.00 0.00 C ATOM 1060 O LEU A 66 5.253 -4.610 -4.921 1.00 0.00 O ATOM 1061 CB LEU A 66 4.450 -3.826 -7.838 1.00 0.00 C ATOM 1062 CG LEU A 66 4.450 -3.658 -9.363 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.025 -2.248 -9.728 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.817 -3.960 -9.958 1.00 0.00 C ATOM 0 H LEU A 66 4.198 -6.254 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 66 6.317 -4.725 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.418 -3.939 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.830 -2.907 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 66 3.739 -4.372 -9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.027 -2.136 -10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.022 -2.060 -9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.720 -1.533 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.780 -3.831 -11.040 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.556 -3.279 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.096 -4.987 -9.725 1.00 0.00 H new ATOM 1076 N VAL A 67 3.988 -6.297 -5.715 1.00 0.00 N ATOM 1077 CA VAL A 67 3.499 -6.718 -4.411 1.00 0.00 C ATOM 1078 C VAL A 67 3.706 -8.216 -4.232 1.00 0.00 C ATOM 1079 O VAL A 67 4.074 -8.914 -5.177 1.00 0.00 O ATOM 1080 CB VAL A 67 2.006 -6.386 -4.222 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.812 -4.899 -3.985 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.207 -6.842 -5.426 1.00 0.00 C ATOM 0 H VAL A 67 3.624 -6.846 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 67 4.068 -6.170 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 67 1.644 -6.920 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.751 -4.687 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.355 -4.600 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.191 -4.342 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.155 -6.600 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.573 -6.335 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.318 -7.919 -5.550 1.00 0.00 H new ATOM 1092 N LEU A 68 3.471 -8.709 -3.023 1.00 0.00 N ATOM 1093 CA LEU A 68 3.650 -10.126 -2.735 1.00 0.00 C ATOM 1094 C LEU A 68 2.397 -10.708 -2.091 1.00 0.00 C ATOM 1095 O LEU A 68 1.894 -10.165 -1.111 1.00 0.00 O ATOM 1096 CB LEU A 68 4.845 -10.314 -1.801 1.00 0.00 C ATOM 1097 CG LEU A 68 5.652 -11.599 -2.012 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.880 -11.608 -1.116 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.792 -12.825 -1.743 1.00 0.00 C ATOM 0 H LEU A 68 3.157 -8.151 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 68 3.833 -10.651 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.514 -9.462 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.486 -10.296 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 68 5.979 -11.630 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.442 -12.528 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.510 -10.751 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.570 -11.552 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.385 -13.726 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.434 -12.799 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.941 -12.829 -2.424 1.00 0.00 H new ATOM 1111 N ARG A 69 1.903 -11.817 -2.644 1.00 0.00 N ATOM 1112 CA ARG A 69 0.707 -12.474 -2.113 1.00 0.00 C ATOM 1113 C ARG A 69 1.077 -13.627 -1.192 1.00 0.00 C ATOM 1114 O ARG A 69 2.140 -14.233 -1.332 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.186 -12.990 -3.237 1.00 0.00 C ATOM 1116 CG ARG A 69 0.581 -13.628 -4.379 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.315 -14.533 -5.208 1.00 0.00 C ATOM 1118 NE ARG A 69 0.403 -15.140 -6.325 1.00 0.00 N ATOM 1119 CZ ARG A 69 -0.168 -15.935 -7.225 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.462 -16.216 -7.140 1.00 0.00 N ATOM 1121 NH2 ARG A 69 0.554 -16.448 -8.211 1.00 0.00 N ATOM 0 H ARG A 69 2.311 -12.278 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 69 0.158 -11.725 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.885 -13.719 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.780 -12.163 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.004 -12.850 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.416 -14.205 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.726 -15.317 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.158 -13.957 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 69 1.399 -14.943 -6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.021 -15.822 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.898 -16.826 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.549 -16.233 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.115 -17.058 -8.901 1.00 0.00 H new ATOM 1135 N THR A 70 0.189 -13.928 -0.252 1.00 0.00 N ATOM 1136 CA THR A 70 0.440 -14.998 0.699 1.00 0.00 C ATOM 1137 C THR A 70 -0.733 -15.987 0.781 1.00 0.00 C ATOM 1138 O THR A 70 -1.695 -15.900 0.019 1.00 0.00 O ATOM 1139 CB THR A 70 0.779 -14.432 2.091 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.535 -13.227 1.937 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.598 -15.419 2.908 1.00 0.00 C ATOM 0 H THR A 70 -0.703 -13.449 -0.130 1.00 0.00 H new ATOM 0 HA THR A 70 1.304 -15.553 0.334 1.00 0.00 H new ATOM 0 HB THR A 70 -0.157 -14.239 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.982 -12.548 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.820 -14.988 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.032 -16.341 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.531 -15.637 2.387 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.607 -16.928 1.709 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.574 -18.006 1.930 1.00 0.00 C ATOM 1151 C HIS A 71 -3.023 -17.676 1.542 1.00 0.00 C ATOM 1152 O HIS A 71 -3.589 -18.382 0.708 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.541 -18.332 3.419 1.00 0.00 C ATOM 1154 CG HIS A 71 -1.104 -19.724 3.734 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.859 -20.842 3.453 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.033 -20.173 4.313 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.207 -21.922 3.848 1.00 0.00 C ATOM 1158 NE2 HIS A 71 -0.055 -21.542 4.372 1.00 0.00 N ATOM 0 H HIS A 71 0.188 -16.967 2.346 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.280 -18.834 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.871 -17.632 3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.535 -18.173 3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.856 -19.568 4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.556 -22.940 3.758 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.654 -22.165 4.758 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.594 -16.616 2.142 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.992 -16.200 1.850 1.00 0.00 C ATOM 1169 C GLN A 72 -5.784 -16.046 3.160 1.00 0.00 C ATOM 1170 O GLN A 72 -5.999 -17.036 3.860 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.733 -17.198 0.949 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.158 -16.786 0.612 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.217 -15.628 -0.364 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -7.242 -14.464 0.034 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.241 -15.943 -1.654 1.00 0.00 N ATOM 0 H GLN A 72 -3.119 -16.030 2.829 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.926 -15.249 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.172 -17.321 0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.753 -18.170 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.688 -17.639 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.678 -16.510 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.219 -16.922 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.282 -15.206 -2.358 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.237 -14.818 3.527 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.020 -13.585 2.753 1.00 0.00 C ATOM 1186 C PRO A 73 -4.555 -13.381 2.414 1.00 0.00 C ATOM 1187 O PRO A 73 -3.713 -13.260 3.304 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.511 -12.480 3.688 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.506 -13.150 4.569 1.00 0.00 C ATOM 1190 CD PRO A 73 -7.008 -14.556 4.758 1.00 0.00 C ATOM 0 HA PRO A 73 -6.540 -13.606 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.690 -12.057 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.964 -11.660 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.591 -12.634 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.497 -13.144 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.385 -14.645 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.831 -15.261 4.874 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.258 -13.350 1.121 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.884 -13.201 0.690 1.00 0.00 C ATOM 1200 C ALA A 74 -2.237 -11.986 1.322 1.00 0.00 C ATOM 1201 O ALA A 74 -2.516 -10.851 0.934 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.818 -13.107 -0.827 1.00 0.00 C ATOM 0 H ALA A 74 -4.941 -13.425 0.367 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.330 -14.081 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.780 -12.995 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.234 -14.014 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.393 -12.244 -1.163 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.375 -12.225 2.302 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.678 -11.130 2.954 1.00 0.00 C ATOM 1210 C ARG A 75 0.120 -10.383 1.893 1.00 0.00 C ATOM 1211 O ARG A 75 0.865 -10.991 1.126 1.00 0.00 O ATOM 1212 CB ARG A 75 0.234 -11.677 4.056 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.495 -12.574 5.049 1.00 0.00 C ATOM 1214 CD ARG A 75 0.445 -13.569 5.717 1.00 0.00 C ATOM 1215 NE ARG A 75 -0.132 -14.131 6.935 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.470 -15.057 7.677 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.660 -15.524 7.324 1.00 0.00 N ATOM 1218 NH2 ARG A 75 -0.120 -15.517 8.771 1.00 0.00 N ATOM 0 H ARG A 75 -1.146 -13.153 2.657 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.384 -10.445 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.048 -12.239 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.685 -10.842 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.972 -11.958 5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.289 -13.115 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.676 -14.374 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.387 -13.075 5.956 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.048 -13.795 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.116 -15.173 6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.119 -16.234 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.036 -15.161 9.044 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.342 -16.227 9.339 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.036 -9.067 1.845 1.00 0.00 N ATOM 1233 CA TYR A 76 0.662 -8.294 0.830 1.00 0.00 C ATOM 1234 C TYR A 76 1.880 -7.580 1.385 1.00 0.00 C ATOM 1235 O TYR A 76 1.867 -7.068 2.500 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.293 -7.306 0.161 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.413 -7.990 -0.592 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.139 -8.801 -1.685 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.738 -7.838 -0.203 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.153 -9.440 -2.374 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.758 -8.474 -0.885 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.461 -9.274 -1.969 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.474 -9.908 -2.651 1.00 0.00 O ATOM 0 H TYR A 76 -0.623 -8.525 2.479 1.00 0.00 H new ATOM 0 HA TYR A 76 1.024 -8.996 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.719 -6.650 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.269 -6.675 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.116 -8.935 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.975 -7.213 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.922 -10.065 -3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.783 -8.345 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.335 -9.688 -2.237 1.00 0.00 H new ATOM 1253 N SER A 77 2.934 -7.562 0.582 1.00 0.00 N ATOM 1254 CA SER A 77 4.184 -6.922 0.962 1.00 0.00 C ATOM 1255 C SER A 77 4.861 -6.316 -0.259 1.00 0.00 C ATOM 1256 O SER A 77 4.942 -6.946 -1.314 1.00 0.00 O ATOM 1257 CB SER A 77 5.118 -7.927 1.639 1.00 0.00 C ATOM 1258 OG SER A 77 5.455 -8.986 0.762 1.00 0.00 O ATOM 0 H SER A 77 2.947 -7.988 -0.345 1.00 0.00 H new ATOM 0 HA SER A 77 3.960 -6.125 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.026 -7.420 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.638 -8.329 2.531 1.00 0.00 H new ATOM 0 HG SER A 77 6.054 -9.612 1.220 1.00 0.00 H new ATOM 1264 N LEU A 78 5.343 -5.092 -0.106 1.00 0.00 N ATOM 1265 CA LEU A 78 6.005 -4.388 -1.196 1.00 0.00 C ATOM 1266 C LEU A 78 7.253 -5.119 -1.674 1.00 0.00 C ATOM 1267 O LEU A 78 8.152 -5.414 -0.885 1.00 0.00 O ATOM 1268 CB LEU A 78 6.412 -2.985 -0.752 1.00 0.00 C ATOM 1269 CG LEU A 78 5.297 -1.945 -0.703 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.889 -0.572 -0.455 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.495 -1.948 -1.991 1.00 0.00 C ATOM 0 H LEU A 78 5.288 -4.564 0.765 1.00 0.00 H new ATOM 0 HA LEU A 78 5.290 -4.338 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.859 -3.055 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.188 -2.624 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 78 4.622 -2.198 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.090 0.168 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.424 -0.573 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.580 -0.323 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.707 -1.198 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.152 -1.717 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.049 -2.932 -2.140 1.00 0.00 H new ATOM 1283 N THR A 79 7.304 -5.411 -2.969 1.00 0.00 N ATOM 1284 CA THR A 79 8.471 -6.058 -3.540 1.00 0.00 C ATOM 1285 C THR A 79 9.452 -4.969 -3.994 1.00 0.00 C ATOM 1286 O THR A 79 9.163 -3.790 -3.813 1.00 0.00 O ATOM 1287 CB THR A 79 8.065 -6.970 -4.715 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.656 -6.876 -4.939 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.427 -8.422 -4.435 1.00 0.00 C ATOM 0 H THR A 79 6.557 -5.211 -3.634 1.00 0.00 H new ATOM 0 HA THR A 79 8.951 -6.691 -2.794 1.00 0.00 H new ATOM 0 HB THR A 79 8.608 -6.638 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.455 -7.120 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.129 -9.041 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.503 -8.506 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.908 -8.760 -3.538 1.00 0.00 H new ATOM 1297 N PRO A 80 10.619 -5.314 -4.573 1.00 0.00 N ATOM 1298 CA PRO A 80 11.595 -4.308 -5.014 1.00 0.00 C ATOM 1299 C PRO A 80 10.972 -3.127 -5.753 1.00 0.00 C ATOM 1300 O PRO A 80 11.291 -1.974 -5.467 1.00 0.00 O ATOM 1301 CB PRO A 80 12.480 -5.106 -5.962 1.00 0.00 C ATOM 1302 CG PRO A 80 12.491 -6.475 -5.382 1.00 0.00 C ATOM 1303 CD PRO A 80 11.116 -6.687 -4.807 1.00 0.00 C ATOM 0 HA PRO A 80 12.110 -3.852 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.080 -5.106 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.485 -4.688 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.715 -7.221 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.256 -6.567 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.473 -7.233 -5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.153 -7.263 -3.882 1.00 0.00 H new ATOM 1311 N GLU A 81 10.085 -3.411 -6.696 1.00 0.00 N ATOM 1312 CA GLU A 81 9.444 -2.355 -7.469 1.00 0.00 C ATOM 1313 C GLU A 81 8.424 -1.579 -6.636 1.00 0.00 C ATOM 1314 O GLU A 81 8.463 -0.350 -6.595 1.00 0.00 O ATOM 1315 CB GLU A 81 8.772 -2.943 -8.707 1.00 0.00 C ATOM 1316 CG GLU A 81 9.732 -3.667 -9.635 1.00 0.00 C ATOM 1317 CD GLU A 81 9.051 -4.194 -10.884 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.989 -3.450 -11.885 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.580 -5.350 -10.860 1.00 0.00 O ATOM 0 H GLU A 81 9.794 -4.357 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 81 10.221 -1.655 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.992 -3.636 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.282 -2.141 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.535 -2.988 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.193 -4.497 -9.099 1.00 0.00 H new ATOM 1326 N GLY A 82 7.510 -2.291 -5.978 1.00 0.00 N ATOM 1327 CA GLY A 82 6.514 -1.604 -5.170 1.00 0.00 C ATOM 1328 C GLY A 82 7.148 -0.771 -4.081 1.00 0.00 C ATOM 1329 O GLY A 82 6.613 0.263 -3.692 1.00 0.00 O ATOM 0 H GLY A 82 7.441 -3.309 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.907 -0.964 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.842 -2.336 -4.722 1.00 0.00 H new ATOM 1333 N LEU A 83 8.292 -1.226 -3.585 1.00 0.00 N ATOM 1334 CA LEU A 83 9.005 -0.508 -2.541 1.00 0.00 C ATOM 1335 C LEU A 83 9.526 0.807 -3.090 1.00 0.00 C ATOM 1336 O LEU A 83 9.342 1.865 -2.490 1.00 0.00 O ATOM 1337 CB LEU A 83 10.177 -1.343 -2.020 1.00 0.00 C ATOM 1338 CG LEU A 83 10.440 -1.250 -0.512 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.687 0.188 -0.087 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.277 -1.829 0.272 1.00 0.00 C ATOM 0 H LEU A 83 8.744 -2.088 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 83 8.316 -0.316 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.997 -2.387 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.080 -1.037 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 83 11.336 -1.832 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.871 0.224 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.555 0.580 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.813 0.793 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.484 -1.753 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.368 -1.274 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.142 -2.876 0.002 1.00 0.00 H new ATOM 1352 N GLU A 84 10.181 0.722 -4.241 1.00 0.00 N ATOM 1353 CA GLU A 84 10.732 1.913 -4.878 1.00 0.00 C ATOM 1354 C GLU A 84 9.631 2.896 -5.221 1.00 0.00 C ATOM 1355 O GLU A 84 9.675 4.056 -4.818 1.00 0.00 O ATOM 1356 CB GLU A 84 11.495 1.543 -6.152 1.00 0.00 C ATOM 1357 CG GLU A 84 12.755 0.740 -5.894 1.00 0.00 C ATOM 1358 CD GLU A 84 13.462 0.337 -7.173 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.150 -0.748 -7.708 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.327 1.106 -7.641 1.00 0.00 O ATOM 0 H GLU A 84 10.343 -0.148 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 84 11.420 2.378 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.837 0.971 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.759 2.456 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.435 1.327 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.501 -0.155 -5.326 1.00 0.00 H new ATOM 1367 N LEU A 85 8.639 2.416 -5.959 1.00 0.00 N ATOM 1368 CA LEU A 85 7.534 3.269 -6.359 1.00 0.00 C ATOM 1369 C LEU A 85 6.852 3.867 -5.137 1.00 0.00 C ATOM 1370 O LEU A 85 6.675 5.080 -5.047 1.00 0.00 O ATOM 1371 CB LEU A 85 6.523 2.465 -7.179 1.00 0.00 C ATOM 1372 CG LEU A 85 6.089 3.111 -8.496 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.141 2.193 -9.252 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.436 4.462 -8.244 1.00 0.00 C ATOM 0 H LEU A 85 8.578 1.452 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 85 7.927 4.081 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.952 1.487 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.637 2.295 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 85 6.977 3.270 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.842 2.668 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.643 1.250 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.257 2.002 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.135 4.904 -9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.558 4.330 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.146 5.122 -7.746 1.00 0.00 H new ATOM 1386 N ALA A 86 6.502 3.010 -4.182 1.00 0.00 N ATOM 1387 CA ALA A 86 5.829 3.469 -2.970 1.00 0.00 C ATOM 1388 C ALA A 86 6.678 4.485 -2.224 1.00 0.00 C ATOM 1389 O ALA A 86 6.155 5.436 -1.642 1.00 0.00 O ATOM 1390 CB ALA A 86 5.494 2.297 -2.064 1.00 0.00 C ATOM 0 H ALA A 86 6.671 2.005 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 86 4.900 3.954 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.993 2.662 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.836 1.606 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.412 1.781 -1.782 1.00 0.00 H new ATOM 1396 N GLN A 87 7.990 4.278 -2.240 1.00 0.00 N ATOM 1397 CA GLN A 87 8.905 5.189 -1.572 1.00 0.00 C ATOM 1398 C GLN A 87 8.698 6.590 -2.123 1.00 0.00 C ATOM 1399 O GLN A 87 8.801 7.586 -1.406 1.00 0.00 O ATOM 1400 CB GLN A 87 10.351 4.740 -1.793 1.00 0.00 C ATOM 1401 CG GLN A 87 11.332 5.321 -0.790 1.00 0.00 C ATOM 1402 CD GLN A 87 12.774 5.012 -1.141 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.323 3.994 -0.718 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.396 5.891 -1.918 1.00 0.00 N ATOM 0 H GLN A 87 8.440 3.490 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 87 8.706 5.187 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.396 3.652 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.661 5.026 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.197 6.401 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.110 4.925 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.902 6.721 -2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.368 5.736 -2.187 1.00 0.00 H new ATOM 1413 N LYS A 88 8.405 6.642 -3.416 1.00 0.00 N ATOM 1414 CA LYS A 88 8.166 7.904 -4.097 1.00 0.00 C ATOM 1415 C LYS A 88 6.819 8.495 -3.697 1.00 0.00 C ATOM 1416 O LYS A 88 6.716 9.682 -3.388 1.00 0.00 O ATOM 1417 CB LYS A 88 8.216 7.681 -5.606 1.00 0.00 C ATOM 1418 CG LYS A 88 9.390 6.815 -6.037 1.00 0.00 C ATOM 1419 CD LYS A 88 9.371 6.521 -7.528 1.00 0.00 C ATOM 1420 CE LYS A 88 10.405 5.463 -7.896 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.398 5.163 -9.354 1.00 0.00 N ATOM 0 H LYS A 88 8.327 5.820 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 88 8.942 8.612 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.287 7.212 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.279 8.646 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.323 7.317 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.369 5.876 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.378 6.180 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.571 7.437 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.397 5.806 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.204 4.549 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.115 4.439 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.460 4.811 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.615 6.029 -9.888 1.00 0.00 H new ATOM 1435 N LEU A 89 5.785 7.656 -3.710 1.00 0.00 N ATOM 1436 CA LEU A 89 4.454 8.103 -3.333 1.00 0.00 C ATOM 1437 C LEU A 89 4.482 8.710 -1.939 1.00 0.00 C ATOM 1438 O LEU A 89 3.677 9.580 -1.606 1.00 0.00 O ATOM 1439 CB LEU A 89 3.487 6.919 -3.362 1.00 0.00 C ATOM 1440 CG LEU A 89 2.988 6.515 -4.749 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.144 6.195 -5.680 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.052 5.321 -4.647 1.00 0.00 C ATOM 0 H LEU A 89 5.846 6.673 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 89 4.119 8.861 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.978 6.059 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.625 7.160 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 89 2.442 7.361 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.756 5.911 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.782 7.073 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.726 5.371 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.705 5.045 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.583 4.480 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.197 5.581 -4.024 1.00 0.00 H new ATOM 1454 N ALA A 90 5.422 8.237 -1.135 1.00 0.00 N ATOM 1455 CA ALA A 90 5.578 8.714 0.233 1.00 0.00 C ATOM 1456 C ALA A 90 6.108 10.143 0.260 1.00 0.00 C ATOM 1457 O ALA A 90 5.741 10.936 1.125 1.00 0.00 O ATOM 1458 CB ALA A 90 6.504 7.788 1.007 1.00 0.00 C ATOM 0 H ALA A 90 6.093 7.519 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 90 4.597 8.712 0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.614 8.154 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.082 6.783 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.481 7.763 0.524 1.00 0.00 H new ATOM 1464 N GLU A 91 6.978 10.458 -0.694 1.00 0.00 N ATOM 1465 CA GLU A 91 7.558 11.793 -0.782 1.00 0.00 C ATOM 1466 C GLU A 91 6.455 12.840 -0.849 1.00 0.00 C ATOM 1467 O GLU A 91 6.512 13.873 -0.182 1.00 0.00 O ATOM 1468 CB GLU A 91 8.450 11.916 -2.015 1.00 0.00 C ATOM 1469 CG GLU A 91 9.353 10.720 -2.218 1.00 0.00 C ATOM 1470 CD GLU A 91 10.209 10.837 -3.464 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.695 10.554 -4.567 1.00 0.00 O ATOM 1472 OE2 GLU A 91 11.393 11.212 -3.337 1.00 0.00 O ATOM 0 H GLU A 91 7.296 9.810 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 91 8.164 11.959 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.823 12.044 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.061 12.814 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.999 10.606 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.745 9.818 -2.284 1.00 0.00 H new ATOM 1479 N SER A 92 5.453 12.551 -1.668 1.00 0.00 N ATOM 1480 CA SER A 92 4.322 13.448 -1.845 1.00 0.00 C ATOM 1481 C SER A 92 3.541 13.618 -0.544 1.00 0.00 C ATOM 1482 O SER A 92 2.925 14.659 -0.312 1.00 0.00 O ATOM 1483 CB SER A 92 3.409 12.904 -2.942 1.00 0.00 C ATOM 1484 OG SER A 92 2.306 13.764 -3.166 1.00 0.00 O ATOM 0 H SER A 92 5.402 11.697 -2.223 1.00 0.00 H new ATOM 0 HA SER A 92 4.699 14.428 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.976 12.788 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.050 11.914 -2.662 1.00 0.00 H new ATOM 0 HG SER A 92 1.740 13.392 -3.874 1.00 0.00 H new ATOM 1490 N GLU A 93 3.571 12.592 0.302 1.00 0.00 N ATOM 1491 CA GLU A 93 2.868 12.641 1.575 1.00 0.00 C ATOM 1492 C GLU A 93 3.769 13.222 2.653 1.00 0.00 C ATOM 1493 O GLU A 93 3.357 13.386 3.801 1.00 0.00 O ATOM 1494 CB GLU A 93 2.443 11.234 1.987 1.00 0.00 C ATOM 1495 CG GLU A 93 1.826 10.424 0.862 1.00 0.00 C ATOM 1496 CD GLU A 93 0.436 10.901 0.491 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.542 10.400 1.084 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.325 11.778 -0.392 1.00 0.00 O ATOM 0 H GLU A 93 4.073 11.721 0.128 1.00 0.00 H new ATOM 0 HA GLU A 93 1.988 13.274 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.312 10.700 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.726 11.306 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.471 10.479 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.779 9.376 1.158 1.00 0.00 H new ATOM 1505 N GLY A 94 5.002 13.530 2.271 1.00 0.00 N ATOM 1506 CA GLY A 94 5.941 14.052 3.238 1.00 0.00 C ATOM 1507 C GLY A 94 6.566 12.924 4.024 1.00 0.00 C ATOM 1508 O GLY A 94 7.386 13.145 4.916 1.00 0.00 O ATOM 0 H GLY A 94 5.363 13.429 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.717 14.624 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.432 14.738 3.915 1.00 0.00 H new ATOM 1512 N LEU A 95 6.159 11.703 3.678 1.00 0.00 N ATOM 1513 CA LEU A 95 6.657 10.499 4.328 1.00 0.00 C ATOM 1514 C LEU A 95 6.322 10.509 5.814 1.00 0.00 C ATOM 1515 O LEU A 95 7.094 10.025 6.642 1.00 0.00 O ATOM 1516 CB LEU A 95 8.165 10.364 4.116 1.00 0.00 C ATOM 1517 CG LEU A 95 8.631 8.993 3.615 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.140 8.862 3.745 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.927 7.871 4.367 1.00 0.00 C ATOM 0 H LEU A 95 5.477 11.525 2.941 1.00 0.00 H new ATOM 0 HA LEU A 95 6.166 9.637 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.485 11.123 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.669 10.580 5.058 1.00 0.00 H new ATOM 0 HG LEU A 95 8.368 8.909 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.453 7.882 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.625 9.638 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.426 8.972 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.275 6.908 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.151 7.950 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.850 7.951 4.216 1.00 0.00 H new ATOM 1531 N SER A 96 5.153 11.052 6.137 1.00 0.00 N ATOM 1532 CA SER A 96 4.702 11.124 7.520 1.00 0.00 C ATOM 1533 C SER A 96 3.613 10.086 7.778 1.00 0.00 C ATOM 1534 O SER A 96 2.771 10.257 8.659 1.00 0.00 O ATOM 1535 CB SER A 96 4.171 12.526 7.824 1.00 0.00 C ATOM 1536 OG SER A 96 3.756 12.636 9.176 1.00 0.00 O ATOM 0 H SER A 96 4.502 11.448 5.459 1.00 0.00 H new ATOM 0 HA SER A 96 5.547 10.913 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.946 13.264 7.618 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.333 12.751 7.164 1.00 0.00 H new ATOM 0 HG SER A 96 3.268 11.826 9.435 1.00 0.00 H new ATOM 1542 N LEU A 97 3.646 9.001 7.008 1.00 0.00 N ATOM 1543 CA LEU A 97 2.654 7.942 7.150 1.00 0.00 C ATOM 1544 C LEU A 97 2.949 7.074 8.368 1.00 0.00 C ATOM 1545 O LEU A 97 2.232 7.130 9.368 1.00 0.00 O ATOM 1546 CB LEU A 97 2.615 7.071 5.890 1.00 0.00 C ATOM 1547 CG LEU A 97 2.299 7.811 4.587 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.512 8.588 4.096 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.825 6.833 3.525 1.00 0.00 C ATOM 0 H LEU A 97 4.345 8.834 6.284 1.00 0.00 H new ATOM 0 HA LEU A 97 1.681 8.414 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.580 6.576 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.870 6.289 6.033 1.00 0.00 H new ATOM 0 HG LEU A 97 1.499 8.524 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.262 9.105 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.807 9.317 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.337 7.899 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.604 7.374 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.605 6.096 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.925 6.326 3.873 1.00 0.00 H new