USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ 169:sc= -0.0298 (180deg=-0.241) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= -0.127 USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= -0.977 F(o=-1.7!,f=-1) USER MOD Set 2.2: A 6 SER OG : rot 89:sc= -0.0201 USER MOD Single : A 8 SER OG : rot 180:sc= 0.108 USER MOD Single : A 11 THR OG1 : rot -86:sc= 0.622 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 34 ASN : amide:sc= -0.681 K(o=-0.68,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.11) USER MOD Single : A 44 THR OG1 : rot -165:sc= -0.0403 USER MOD Single : A 46 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-6.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 25:sc= 0.522 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.321 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.18) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -1.38 (180deg=-1.65!) USER MOD Single : A 81 SER OG : rot 170:sc= -0.338 USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.11) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.19 F(o=-1.7!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.601 7.492 -10.278 1.00 0.00 N ATOM 2 CA GLU A 2 10.983 8.760 -9.938 1.00 0.00 C ATOM 3 C GLU A 2 10.911 8.877 -8.422 1.00 0.00 C ATOM 4 O GLU A 2 10.737 7.873 -7.734 1.00 0.00 O ATOM 5 CB GLU A 2 9.586 8.808 -10.548 1.00 0.00 C ATOM 6 CG GLU A 2 8.795 10.064 -10.277 1.00 0.00 C ATOM 7 CD GLU A 2 7.422 9.975 -10.863 1.00 0.00 C ATOM 8 OE1 GLU A 2 6.566 9.287 -10.282 1.00 0.00 O ATOM 9 OE2 GLU A 2 7.174 10.572 -11.929 1.00 0.00 O ATOM 0 HA GLU A 2 11.567 9.592 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.677 8.684 -11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.018 7.956 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.724 10.228 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.317 10.924 -10.697 1.00 0.00 H new ATOM 16 N LEU A 3 11.086 10.078 -7.906 1.00 0.00 N ATOM 17 CA LEU A 3 10.994 10.318 -6.475 1.00 0.00 C ATOM 18 C LEU A 3 9.768 11.130 -6.110 1.00 0.00 C ATOM 19 O LEU A 3 9.207 11.864 -6.945 1.00 0.00 O ATOM 20 CB LEU A 3 12.260 10.968 -5.909 1.00 0.00 C ATOM 21 CG LEU A 3 13.498 10.071 -5.807 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.682 10.867 -5.286 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.218 8.874 -4.891 1.00 0.00 C ATOM 0 H LEU A 3 11.294 10.909 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 3 10.894 9.336 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.511 11.827 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.032 11.351 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 3 13.738 9.697 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.555 10.218 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.894 11.691 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.447 11.264 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.107 8.247 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.956 9.231 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.391 8.291 -5.296 1.00 0.00 H new ATOM 35 N LYS A 4 9.368 10.986 -4.879 1.00 0.00 N ATOM 36 CA LYS A 4 8.216 11.637 -4.315 1.00 0.00 C ATOM 37 C LYS A 4 8.579 12.242 -2.974 1.00 0.00 C ATOM 38 O LYS A 4 9.714 12.101 -2.514 1.00 0.00 O ATOM 39 CB LYS A 4 7.110 10.594 -4.154 1.00 0.00 C ATOM 40 CG LYS A 4 7.596 9.272 -3.575 1.00 0.00 C ATOM 41 CD LYS A 4 7.840 9.286 -2.075 1.00 0.00 C ATOM 42 CE LYS A 4 8.203 7.901 -1.567 1.00 0.00 C ATOM 43 NZ LYS A 4 9.341 7.306 -2.290 1.00 0.00 N ATOM 0 H LYS A 4 9.855 10.387 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 4 7.870 12.439 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.332 10.999 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.653 10.409 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.861 8.500 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.521 8.990 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.643 9.985 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.947 9.643 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.444 7.960 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.337 7.246 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.663 6.454 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.045 7.050 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.119 7.994 -2.339 1.00 0.00 H new ATOM 57 N HIS A 5 7.636 12.896 -2.344 1.00 0.00 N ATOM 58 CA HIS A 5 7.862 13.432 -1.021 1.00 0.00 C ATOM 59 C HIS A 5 7.173 12.562 0.048 1.00 0.00 C ATOM 60 O HIS A 5 7.720 12.346 1.129 1.00 0.00 O ATOM 61 CB HIS A 5 7.420 14.921 -0.920 1.00 0.00 C ATOM 62 CG HIS A 5 5.948 15.174 -1.115 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.953 15.260 -0.200 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.350 15.338 -2.337 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.745 15.464 -0.850 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.041 15.500 -2.137 1.00 0.00 N flip ATOM 0 H HIS A 5 6.705 13.071 -2.723 1.00 0.00 H new ATOM 0 HA HIS A 5 8.935 13.406 -0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.710 15.303 0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.972 15.497 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.851 15.336 -3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.769 15.571 -0.400 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.357 15.634 -2.882 1.00 0.00 H new ATOM 74 N SER A 6 5.971 12.061 -0.256 1.00 0.00 N ATOM 75 CA SER A 6 5.203 11.259 0.673 1.00 0.00 C ATOM 76 C SER A 6 4.238 10.342 -0.081 1.00 0.00 C ATOM 77 O SER A 6 4.256 10.290 -1.317 1.00 0.00 O ATOM 78 CB SER A 6 4.395 12.164 1.583 1.00 0.00 C ATOM 79 OG SER A 6 5.225 13.089 2.281 1.00 0.00 O ATOM 0 H SER A 6 5.512 12.206 -1.155 1.00 0.00 H new ATOM 0 HA SER A 6 5.896 10.655 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.659 12.710 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.842 11.558 2.301 1.00 0.00 H new ATOM 0 HG SER A 6 5.335 13.901 1.743 1.00 0.00 H new ATOM 85 N ILE A 7 3.378 9.673 0.683 1.00 0.00 N ATOM 86 CA ILE A 7 2.383 8.719 0.189 1.00 0.00 C ATOM 87 C ILE A 7 1.365 9.422 -0.734 1.00 0.00 C ATOM 88 O ILE A 7 0.927 8.871 -1.735 1.00 0.00 O ATOM 89 CB ILE A 7 1.658 8.062 1.443 1.00 0.00 C ATOM 90 CG1 ILE A 7 1.008 6.683 1.147 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.645 9.013 2.094 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.274 6.701 0.351 1.00 0.00 C ATOM 0 H ILE A 7 3.352 9.782 1.697 1.00 0.00 H new ATOM 0 HA ILE A 7 2.870 7.943 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 7 2.460 7.875 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.734 6.071 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.813 6.187 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.177 8.519 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.157 9.913 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.120 9.284 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.629 5.680 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.028 7.276 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.092 7.159 -0.621 1.00 0.00 H new ATOM 104 N SER A 8 1.072 10.660 -0.420 1.00 0.00 N ATOM 105 CA SER A 8 0.061 11.416 -1.085 1.00 0.00 C ATOM 106 C SER A 8 0.549 12.025 -2.396 1.00 0.00 C ATOM 107 O SER A 8 -0.202 12.699 -3.093 1.00 0.00 O ATOM 108 CB SER A 8 -0.416 12.463 -0.109 1.00 0.00 C ATOM 109 OG SER A 8 0.713 13.081 0.508 1.00 0.00 O ATOM 0 H SER A 8 1.545 11.174 0.323 1.00 0.00 H new ATOM 0 HA SER A 8 -0.762 10.765 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.018 13.211 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.055 12.007 0.648 1.00 0.00 H new ATOM 0 HG SER A 8 0.407 13.763 1.142 1.00 0.00 H new ATOM 115 N ASP A 9 1.810 11.781 -2.740 1.00 0.00 N ATOM 116 CA ASP A 9 2.315 12.260 -4.019 1.00 0.00 C ATOM 117 C ASP A 9 2.038 11.203 -5.075 1.00 0.00 C ATOM 118 O ASP A 9 2.151 11.439 -6.279 1.00 0.00 O ATOM 119 CB ASP A 9 3.805 12.602 -3.964 1.00 0.00 C ATOM 120 CG ASP A 9 4.281 13.316 -5.224 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.883 14.494 -5.451 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.069 12.749 -5.982 1.00 0.00 O ATOM 0 H ASP A 9 2.483 11.270 -2.169 1.00 0.00 H new ATOM 0 HA ASP A 9 1.800 13.187 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.999 13.233 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.381 11.687 -3.828 1.00 0.00 H new ATOM 127 N TYR A 10 1.646 10.044 -4.606 1.00 0.00 N ATOM 128 CA TYR A 10 1.265 8.954 -5.458 1.00 0.00 C ATOM 129 C TYR A 10 -0.199 9.032 -5.712 1.00 0.00 C ATOM 130 O TYR A 10 -0.966 9.427 -4.830 1.00 0.00 O ATOM 131 CB TYR A 10 1.550 7.599 -4.799 1.00 0.00 C ATOM 132 CG TYR A 10 2.994 7.235 -4.696 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.775 7.677 -3.647 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.583 6.441 -5.664 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.088 7.339 -3.572 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.907 6.099 -5.592 1.00 0.00 C ATOM 137 CZ TYR A 10 5.657 6.553 -4.548 1.00 0.00 C ATOM 138 OH TYR A 10 6.990 6.217 -4.465 1.00 0.00 O ATOM 0 H TYR A 10 1.583 9.833 -3.610 1.00 0.00 H new ATOM 0 HA TYR A 10 1.841 9.031 -6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.120 7.602 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.035 6.822 -5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.338 8.297 -2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.988 6.084 -6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.687 7.688 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.352 5.476 -6.354 1.00 0.00 H new ATOM 0 HH TYR A 10 7.235 5.657 -5.231 1.00 0.00 H new ATOM 148 N THR A 11 -0.596 8.704 -6.892 1.00 0.00 N ATOM 149 CA THR A 11 -1.987 8.579 -7.169 1.00 0.00 C ATOM 150 C THR A 11 -2.422 7.202 -6.689 1.00 0.00 C ATOM 151 O THR A 11 -1.553 6.368 -6.329 1.00 0.00 O ATOM 152 CB THR A 11 -2.285 8.753 -8.671 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.438 7.897 -9.447 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.085 10.194 -9.095 1.00 0.00 C ATOM 0 H THR A 11 0.022 8.517 -7.682 1.00 0.00 H new ATOM 0 HA THR A 11 -2.541 9.363 -6.652 1.00 0.00 H new ATOM 0 HB THR A 11 -3.326 8.480 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.587 8.350 -9.621 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.301 10.294 -10.159 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.757 10.837 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.053 10.489 -8.905 1.00 0.00 H new ATOM 162 N GLU A 12 -3.716 6.947 -6.683 1.00 0.00 N ATOM 163 CA GLU A 12 -4.240 5.677 -6.223 1.00 0.00 C ATOM 164 C GLU A 12 -3.602 4.547 -7.010 1.00 0.00 C ATOM 165 O GLU A 12 -3.108 3.590 -6.441 1.00 0.00 O ATOM 166 CB GLU A 12 -5.741 5.635 -6.415 1.00 0.00 C ATOM 167 CG GLU A 12 -6.381 4.376 -5.880 1.00 0.00 C ATOM 168 CD GLU A 12 -7.825 4.301 -6.223 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.616 5.106 -5.686 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.213 3.426 -7.017 1.00 0.00 O ATOM 0 H GLU A 12 -4.428 7.608 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.010 5.562 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.187 6.498 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.966 5.724 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.866 3.506 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.263 4.340 -4.797 1.00 0.00 H new ATOM 177 N ALA A 13 -3.554 4.731 -8.312 1.00 0.00 N ATOM 178 CA ALA A 13 -3.017 3.739 -9.237 1.00 0.00 C ATOM 179 C ALA A 13 -1.551 3.404 -8.954 1.00 0.00 C ATOM 180 O ALA A 13 -1.177 2.246 -8.920 1.00 0.00 O ATOM 181 CB ALA A 13 -3.176 4.220 -10.656 1.00 0.00 C ATOM 0 H ALA A 13 -3.888 5.579 -8.769 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.587 2.821 -9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.773 3.474 -11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.233 4.376 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.637 5.159 -10.784 1.00 0.00 H new ATOM 187 N GLU A 14 -0.746 4.423 -8.701 1.00 0.00 N ATOM 188 CA GLU A 14 0.699 4.248 -8.464 1.00 0.00 C ATOM 189 C GLU A 14 0.959 3.560 -7.155 1.00 0.00 C ATOM 190 O GLU A 14 1.927 2.809 -7.008 1.00 0.00 O ATOM 191 CB GLU A 14 1.386 5.579 -8.471 1.00 0.00 C ATOM 192 CG GLU A 14 1.255 6.319 -9.757 1.00 0.00 C ATOM 193 CD GLU A 14 1.802 7.688 -9.641 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.106 8.555 -9.080 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.930 7.929 -10.098 1.00 0.00 O ATOM 0 H GLU A 14 -1.061 5.392 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 14 1.094 3.625 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.978 6.192 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.444 5.432 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.780 5.780 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.206 6.367 -10.048 1.00 0.00 H new ATOM 202 N PHE A 15 0.119 3.819 -6.209 1.00 0.00 N ATOM 203 CA PHE A 15 0.209 3.172 -4.938 1.00 0.00 C ATOM 204 C PHE A 15 -0.331 1.786 -5.066 1.00 0.00 C ATOM 205 O PHE A 15 0.107 0.885 -4.421 1.00 0.00 O ATOM 206 CB PHE A 15 -0.533 3.947 -3.891 1.00 0.00 C ATOM 207 CG PHE A 15 -0.400 3.376 -2.525 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.657 3.740 -1.726 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.348 2.489 -2.030 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.779 3.233 -0.466 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.232 1.989 -0.769 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.168 2.360 0.012 1.00 0.00 C ATOM 0 H PHE A 15 -0.650 4.484 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 15 1.252 3.125 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.168 4.974 -3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.589 3.986 -4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.397 4.433 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.182 2.194 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.617 3.517 0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.974 1.304 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.073 1.962 1.012 1.00 0.00 H new ATOM 222 N LEU A 16 -1.276 1.624 -5.903 1.00 0.00 N ATOM 223 CA LEU A 16 -1.827 0.333 -6.163 1.00 0.00 C ATOM 224 C LEU A 16 -0.796 -0.542 -6.869 1.00 0.00 C ATOM 225 O LEU A 16 -0.832 -1.769 -6.798 1.00 0.00 O ATOM 226 CB LEU A 16 -3.158 0.500 -6.892 1.00 0.00 C ATOM 227 CG LEU A 16 -3.952 -0.730 -7.181 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.420 -0.391 -7.157 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.615 -1.250 -8.530 1.00 0.00 C ATOM 0 H LEU A 16 -1.701 2.381 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.058 -0.202 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.782 1.170 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.960 1.001 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.720 -1.483 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.004 -1.287 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.688 -0.006 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.631 0.366 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.200 -2.148 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.844 -0.493 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.553 -1.492 -8.572 1.00 0.00 H new ATOM 241 N GLU A 17 0.128 0.097 -7.506 1.00 0.00 N ATOM 242 CA GLU A 17 1.269 -0.582 -8.044 1.00 0.00 C ATOM 243 C GLU A 17 2.223 -0.997 -6.918 1.00 0.00 C ATOM 244 O GLU A 17 2.971 -1.928 -7.097 1.00 0.00 O ATOM 245 CB GLU A 17 2.044 0.263 -9.025 1.00 0.00 C ATOM 246 CG GLU A 17 1.285 0.736 -10.230 1.00 0.00 C ATOM 247 CD GLU A 17 2.201 1.433 -11.182 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.787 2.477 -10.818 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.434 0.904 -12.284 1.00 0.00 O ATOM 0 H GLU A 17 0.118 1.104 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 17 0.881 -1.454 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.429 1.136 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.906 -0.310 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.812 -0.112 -10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.487 1.412 -9.923 1.00 0.00 H new ATOM 256 N PHE A 18 2.177 -0.295 -5.748 1.00 0.00 N ATOM 257 CA PHE A 18 3.077 -0.605 -4.580 1.00 0.00 C ATOM 258 C PHE A 18 2.944 -2.051 -4.254 1.00 0.00 C ATOM 259 O PHE A 18 3.910 -2.800 -4.239 1.00 0.00 O ATOM 260 CB PHE A 18 2.751 0.279 -3.263 1.00 0.00 C ATOM 261 CG PHE A 18 2.036 -0.425 -2.025 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.639 -0.541 -1.930 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.783 -0.952 -0.979 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.035 -1.167 -0.824 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.176 -1.566 0.111 1.00 0.00 C ATOM 266 CZ PHE A 18 0.808 -1.672 0.184 1.00 0.00 C ATOM 0 H PHE A 18 1.537 0.482 -5.583 1.00 0.00 H new ATOM 0 HA PHE A 18 4.096 -0.353 -4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.691 0.699 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.125 1.116 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.018 -0.143 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.860 -0.883 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.041 -1.249 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.786 -1.964 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.346 -2.152 1.034 1.00 0.00 H new ATOM 276 N VAL A 19 1.724 -2.436 -4.104 1.00 0.00 N ATOM 277 CA VAL A 19 1.381 -3.750 -3.681 1.00 0.00 C ATOM 278 C VAL A 19 1.637 -4.767 -4.784 1.00 0.00 C ATOM 279 O VAL A 19 2.072 -5.894 -4.521 1.00 0.00 O ATOM 280 CB VAL A 19 -0.075 -3.788 -3.155 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.075 -3.396 -4.207 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.407 -5.107 -2.498 1.00 0.00 C ATOM 0 H VAL A 19 0.919 -1.833 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 19 2.028 -4.031 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.146 -3.030 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.080 -3.439 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.867 -2.382 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.004 -4.083 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.438 -5.088 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.286 -5.914 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.263 -5.272 -1.654 1.00 0.00 H new ATOM 292 N LYS A 20 1.409 -4.347 -6.016 1.00 0.00 N ATOM 293 CA LYS A 20 1.684 -5.186 -7.151 1.00 0.00 C ATOM 294 C LYS A 20 3.168 -5.478 -7.231 1.00 0.00 C ATOM 295 O LYS A 20 3.565 -6.617 -7.425 1.00 0.00 O ATOM 296 CB LYS A 20 1.206 -4.559 -8.449 1.00 0.00 C ATOM 297 CG LYS A 20 -0.291 -4.436 -8.532 1.00 0.00 C ATOM 298 CD LYS A 20 -0.731 -4.062 -9.911 1.00 0.00 C ATOM 299 CE LYS A 20 -2.240 -4.017 -10.036 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.683 -3.805 -11.431 1.00 0.00 N ATOM 0 H LYS A 20 1.034 -3.427 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 20 1.135 -6.117 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.652 -3.570 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.562 -5.158 -9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.752 -5.381 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.636 -3.685 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.317 -3.088 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.330 -4.780 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.661 -4.950 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.630 -3.216 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.722 -3.782 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.304 -2.902 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.334 -4.582 -12.028 1.00 0.00 H new ATOM 314 N LYS A 21 3.987 -4.435 -7.026 1.00 0.00 N ATOM 315 CA LYS A 21 5.441 -4.572 -7.043 1.00 0.00 C ATOM 316 C LYS A 21 5.875 -5.545 -6.002 1.00 0.00 C ATOM 317 O LYS A 21 6.637 -6.402 -6.281 1.00 0.00 O ATOM 318 CB LYS A 21 6.177 -3.267 -6.752 1.00 0.00 C ATOM 319 CG LYS A 21 5.948 -2.131 -7.696 1.00 0.00 C ATOM 320 CD LYS A 21 6.803 -0.966 -7.268 1.00 0.00 C ATOM 321 CE LYS A 21 6.487 0.292 -8.026 1.00 0.00 C ATOM 322 NZ LYS A 21 6.686 0.162 -9.493 1.00 0.00 N ATOM 0 H LYS A 21 3.659 -3.486 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 21 5.689 -4.903 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.898 -2.937 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.246 -3.479 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.199 -2.429 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.896 -1.847 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.661 -0.789 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.853 -1.219 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.453 0.575 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.115 1.101 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.451 1.063 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.678 -0.080 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.068 -0.589 -9.862 1.00 0.00 H new ATOM 336 N ILE A 22 5.365 -5.405 -4.806 1.00 0.00 N ATOM 337 CA ILE A 22 5.748 -6.287 -3.711 1.00 0.00 C ATOM 338 C ILE A 22 5.434 -7.735 -4.079 1.00 0.00 C ATOM 339 O ILE A 22 6.253 -8.627 -3.908 1.00 0.00 O ATOM 340 CB ILE A 22 5.023 -5.900 -2.402 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.267 -4.420 -2.109 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.522 -6.762 -1.246 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.593 -3.903 -0.879 1.00 0.00 C ATOM 0 H ILE A 22 4.682 -4.690 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 22 6.820 -6.181 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 22 3.953 -6.071 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.340 -4.255 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.929 -3.835 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.003 -6.479 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.326 -7.812 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.594 -6.612 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.825 -2.845 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.515 -4.030 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.948 -4.457 -0.010 1.00 0.00 H new ATOM 355 N CYS A 23 4.284 -7.930 -4.671 1.00 0.00 N ATOM 356 CA CYS A 23 3.843 -9.237 -5.061 1.00 0.00 C ATOM 357 C CYS A 23 4.724 -9.828 -6.202 1.00 0.00 C ATOM 358 O CYS A 23 5.051 -11.009 -6.185 1.00 0.00 O ATOM 359 CB CYS A 23 2.374 -9.176 -5.481 1.00 0.00 C ATOM 360 SG CYS A 23 1.624 -10.778 -5.802 1.00 0.00 S ATOM 0 H CYS A 23 3.628 -7.182 -4.895 1.00 0.00 H new ATOM 0 HA CYS A 23 3.945 -9.904 -4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.806 -8.673 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.291 -8.563 -6.379 1.00 0.00 H new ATOM 0 HG CYS A 23 0.382 -10.614 -6.148 1.00 0.00 H new ATOM 366 N ARG A 24 5.132 -9.000 -7.155 1.00 0.00 N ATOM 367 CA ARG A 24 5.880 -9.486 -8.325 1.00 0.00 C ATOM 368 C ARG A 24 7.407 -9.327 -8.219 1.00 0.00 C ATOM 369 O ARG A 24 8.165 -10.222 -8.594 1.00 0.00 O ATOM 370 CB ARG A 24 5.358 -8.818 -9.597 1.00 0.00 C ATOM 371 CG ARG A 24 5.493 -7.315 -9.657 1.00 0.00 C ATOM 372 CD ARG A 24 4.791 -6.810 -10.879 1.00 0.00 C ATOM 373 NE ARG A 24 4.815 -5.338 -11.018 1.00 0.00 N ATOM 374 CZ ARG A 24 3.772 -4.615 -11.489 1.00 0.00 C ATOM 375 NH1 ARG A 24 2.633 -5.222 -11.821 1.00 0.00 N ATOM 376 NH2 ARG A 24 3.861 -3.296 -11.618 1.00 0.00 N ATOM 0 H ARG A 24 4.963 -7.994 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 24 5.704 -10.561 -8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.885 -9.245 -10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.305 -9.073 -9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.064 -6.863 -8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.545 -7.032 -9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.251 -7.256 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.754 -7.146 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 24 5.663 -4.841 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.546 -6.233 -11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.848 -4.675 -12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.723 -2.815 -11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.067 -2.764 -11.974 1.00 0.00 H new ATOM 390 N ALA A 25 7.823 -8.238 -7.655 1.00 0.00 N ATOM 391 CA ALA A 25 9.204 -7.785 -7.604 1.00 0.00 C ATOM 392 C ALA A 25 9.864 -8.108 -6.274 1.00 0.00 C ATOM 393 O ALA A 25 10.805 -7.429 -5.881 1.00 0.00 O ATOM 394 CB ALA A 25 9.275 -6.289 -7.894 1.00 0.00 C ATOM 0 H ALA A 25 7.184 -7.595 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 25 9.758 -8.325 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.313 -5.959 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.870 -6.091 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.693 -5.746 -7.150 1.00 0.00 H new ATOM 400 N GLU A 26 9.336 -9.126 -5.566 1.00 0.00 N ATOM 401 CA GLU A 26 9.866 -9.608 -4.250 1.00 0.00 C ATOM 402 C GLU A 26 11.417 -9.737 -4.215 1.00 0.00 C ATOM 403 O GLU A 26 12.023 -9.777 -3.144 1.00 0.00 O ATOM 404 CB GLU A 26 9.248 -10.967 -3.877 1.00 0.00 C ATOM 405 CG GLU A 26 9.501 -12.071 -4.900 1.00 0.00 C ATOM 406 CD GLU A 26 9.127 -13.446 -4.396 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.962 -13.842 -4.513 1.00 0.00 O ATOM 408 OE2 GLU A 26 10.014 -14.162 -3.879 1.00 0.00 O ATOM 0 H GLU A 26 8.521 -9.650 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 26 9.581 -8.846 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.647 -11.282 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.172 -10.842 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.933 -11.856 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.555 -12.067 -5.177 1.00 0.00 H new ATOM 415 N GLY A 27 12.030 -9.878 -5.375 1.00 0.00 N ATOM 416 CA GLY A 27 13.452 -9.893 -5.464 1.00 0.00 C ATOM 417 C GLY A 27 14.010 -11.270 -5.329 1.00 0.00 C ATOM 418 O GLY A 27 14.457 -11.869 -6.322 1.00 0.00 O ATOM 0 H GLY A 27 11.548 -9.984 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.759 -9.470 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.870 -9.255 -4.685 1.00 0.00 H new ATOM 422 N ALA A 28 13.955 -11.795 -4.125 1.00 0.00 N ATOM 423 CA ALA A 28 14.511 -13.099 -3.830 1.00 0.00 C ATOM 424 C ALA A 28 14.108 -13.547 -2.453 1.00 0.00 C ATOM 425 O ALA A 28 13.484 -14.590 -2.279 1.00 0.00 O ATOM 426 CB ALA A 28 16.040 -13.060 -3.909 1.00 0.00 C ATOM 0 H ALA A 28 13.525 -11.332 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 28 14.124 -13.801 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.441 -14.048 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.345 -12.764 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.423 -12.340 -3.186 1.00 0.00 H new ATOM 432 N THR A 29 14.457 -12.748 -1.490 1.00 0.00 N ATOM 433 CA THR A 29 14.274 -13.079 -0.121 1.00 0.00 C ATOM 434 C THR A 29 13.185 -12.253 0.540 1.00 0.00 C ATOM 435 O THR A 29 12.739 -11.220 0.003 1.00 0.00 O ATOM 436 CB THR A 29 15.592 -12.846 0.612 1.00 0.00 C ATOM 437 OG1 THR A 29 16.112 -11.561 0.214 1.00 0.00 O ATOM 438 CG2 THR A 29 16.601 -13.932 0.285 1.00 0.00 C ATOM 0 H THR A 29 14.883 -11.834 -1.643 1.00 0.00 H new ATOM 0 HA THR A 29 13.965 -14.123 -0.067 1.00 0.00 H new ATOM 0 HB THR A 29 15.413 -12.871 1.687 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.959 -11.393 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.530 -13.739 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.203 -14.901 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.796 -13.937 -0.787 1.00 0.00 H new ATOM 446 N GLU A 30 12.810 -12.702 1.722 1.00 0.00 N ATOM 447 CA GLU A 30 11.835 -12.070 2.590 1.00 0.00 C ATOM 448 C GLU A 30 12.243 -10.617 2.868 1.00 0.00 C ATOM 449 O GLU A 30 11.411 -9.713 2.848 1.00 0.00 O ATOM 450 CB GLU A 30 11.794 -12.880 3.905 1.00 0.00 C ATOM 451 CG GLU A 30 10.805 -12.409 4.956 1.00 0.00 C ATOM 452 CD GLU A 30 9.378 -12.576 4.533 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.781 -13.647 4.788 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.809 -11.648 3.980 1.00 0.00 O ATOM 0 H GLU A 30 13.195 -13.558 2.122 1.00 0.00 H new ATOM 0 HA GLU A 30 10.851 -12.056 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.565 -13.917 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.791 -12.869 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.972 -12.964 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.992 -11.358 5.178 1.00 0.00 H new ATOM 461 N GLU A 31 13.534 -10.397 3.084 1.00 0.00 N ATOM 462 CA GLU A 31 14.032 -9.069 3.385 1.00 0.00 C ATOM 463 C GLU A 31 13.871 -8.099 2.208 1.00 0.00 C ATOM 464 O GLU A 31 13.596 -6.916 2.421 1.00 0.00 O ATOM 465 CB GLU A 31 15.493 -9.099 3.847 1.00 0.00 C ATOM 466 CG GLU A 31 16.474 -9.623 2.811 1.00 0.00 C ATOM 467 CD GLU A 31 17.891 -9.502 3.266 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.397 -10.416 3.928 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.541 -8.473 2.964 1.00 0.00 O ATOM 0 H GLU A 31 14.251 -11.122 3.056 1.00 0.00 H new ATOM 0 HA GLU A 31 13.417 -8.700 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.791 -8.090 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.565 -9.718 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.251 -10.668 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.345 -9.072 1.879 1.00 0.00 H new ATOM 476 N ASP A 32 14.008 -8.597 0.982 1.00 0.00 N ATOM 477 CA ASP A 32 13.946 -7.730 -0.206 1.00 0.00 C ATOM 478 C ASP A 32 12.498 -7.316 -0.431 1.00 0.00 C ATOM 479 O ASP A 32 12.203 -6.155 -0.743 1.00 0.00 O ATOM 480 CB ASP A 32 14.516 -8.458 -1.442 1.00 0.00 C ATOM 481 CG ASP A 32 14.900 -7.520 -2.589 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.030 -7.011 -3.300 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.120 -7.292 -2.794 1.00 0.00 O ATOM 0 H ASP A 32 14.161 -9.585 0.779 1.00 0.00 H new ATOM 0 HA ASP A 32 14.555 -6.840 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.395 -9.029 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.778 -9.174 -1.803 1.00 0.00 H new ATOM 488 N ASP A 33 11.605 -8.264 -0.199 1.00 0.00 N ATOM 489 CA ASP A 33 10.147 -8.058 -0.271 1.00 0.00 C ATOM 490 C ASP A 33 9.719 -7.054 0.784 1.00 0.00 C ATOM 491 O ASP A 33 9.105 -6.016 0.485 1.00 0.00 O ATOM 492 CB ASP A 33 9.449 -9.395 0.003 1.00 0.00 C ATOM 493 CG ASP A 33 7.924 -9.352 -0.045 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.270 -9.021 0.979 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.356 -9.774 -1.066 1.00 0.00 O ATOM 0 H ASP A 33 11.866 -9.218 0.050 1.00 0.00 H new ATOM 0 HA ASP A 33 9.878 -7.683 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.799 -10.126 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.756 -9.753 0.986 1.00 0.00 H new ATOM 500 N ASN A 34 10.118 -7.343 2.011 1.00 0.00 N ATOM 501 CA ASN A 34 9.781 -6.545 3.180 1.00 0.00 C ATOM 502 C ASN A 34 10.330 -5.123 3.038 1.00 0.00 C ATOM 503 O ASN A 34 9.720 -4.184 3.498 1.00 0.00 O ATOM 504 CB ASN A 34 10.356 -7.219 4.433 1.00 0.00 C ATOM 505 CG ASN A 34 9.811 -6.715 5.771 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.386 -5.584 5.923 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.824 -7.575 6.753 1.00 0.00 N ATOM 0 H ASN A 34 10.697 -8.155 2.228 1.00 0.00 H new ATOM 0 HA ASN A 34 8.697 -6.479 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.166 -8.290 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.438 -7.086 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.473 -7.305 7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.185 -8.517 6.601 1.00 0.00 H new ATOM 514 N LYS A 35 11.482 -4.973 2.367 1.00 0.00 N ATOM 515 CA LYS A 35 12.105 -3.709 2.144 1.00 0.00 C ATOM 516 C LYS A 35 11.120 -2.750 1.464 1.00 0.00 C ATOM 517 O LYS A 35 10.977 -1.589 1.894 1.00 0.00 O ATOM 518 CB LYS A 35 13.349 -3.917 1.268 1.00 0.00 C ATOM 519 CG LYS A 35 14.365 -2.824 1.391 1.00 0.00 C ATOM 520 CD LYS A 35 14.569 -2.010 0.090 1.00 0.00 C ATOM 521 CE LYS A 35 13.343 -1.190 -0.288 1.00 0.00 C ATOM 522 NZ LYS A 35 13.504 -0.443 -1.544 1.00 0.00 N ATOM 0 H LYS A 35 11.997 -5.757 1.966 1.00 0.00 H new ATOM 0 HA LYS A 35 12.403 -3.269 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.815 -4.865 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.039 -3.996 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.061 -2.146 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.319 -3.259 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.423 -1.344 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.811 -2.691 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.484 -1.855 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.122 -0.489 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.749 0.267 -1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.429 0.033 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.449 -1.100 -2.348 1.00 0.00 H new ATOM 536 N LEU A 36 10.449 -3.230 0.401 1.00 0.00 N ATOM 537 CA LEU A 36 9.435 -2.417 -0.276 1.00 0.00 C ATOM 538 C LEU A 36 8.313 -2.112 0.676 1.00 0.00 C ATOM 539 O LEU A 36 7.911 -0.964 0.815 1.00 0.00 O ATOM 540 CB LEU A 36 8.859 -3.074 -1.554 1.00 0.00 C ATOM 541 CG LEU A 36 9.757 -3.134 -2.799 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.979 -3.680 -3.991 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.313 -1.760 -3.138 1.00 0.00 C ATOM 0 H LEU A 36 10.590 -4.158 0.002 1.00 0.00 H new ATOM 0 HA LEU A 36 9.937 -1.503 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.567 -4.094 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.949 -2.539 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 36 10.590 -3.801 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.630 -3.716 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.622 -4.684 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.128 -3.031 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.945 -1.832 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.490 -1.073 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.903 -1.389 -2.300 1.00 0.00 H new ATOM 555 N VAL A 37 7.857 -3.136 1.372 1.00 0.00 N ATOM 556 CA VAL A 37 6.776 -2.997 2.343 1.00 0.00 C ATOM 557 C VAL A 37 7.108 -1.891 3.352 1.00 0.00 C ATOM 558 O VAL A 37 6.309 -1.018 3.595 1.00 0.00 O ATOM 559 CB VAL A 37 6.511 -4.320 3.110 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.339 -4.151 4.042 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.245 -5.468 2.157 1.00 0.00 C ATOM 0 H VAL A 37 8.220 -4.085 1.285 1.00 0.00 H new ATOM 0 HA VAL A 37 5.876 -2.738 1.786 1.00 0.00 H new ATOM 0 HB VAL A 37 7.405 -4.557 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.161 -5.085 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.555 -3.359 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.452 -3.887 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.063 -6.379 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.370 -5.240 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.110 -5.611 1.510 1.00 0.00 H new ATOM 571 N ARG A 38 8.319 -1.916 3.861 1.00 0.00 N ATOM 572 CA ARG A 38 8.782 -0.950 4.848 1.00 0.00 C ATOM 573 C ARG A 38 8.773 0.480 4.339 1.00 0.00 C ATOM 574 O ARG A 38 8.431 1.404 5.087 1.00 0.00 O ATOM 575 CB ARG A 38 10.178 -1.284 5.347 1.00 0.00 C ATOM 576 CG ARG A 38 10.271 -2.562 6.123 1.00 0.00 C ATOM 577 CD ARG A 38 11.677 -2.840 6.565 1.00 0.00 C ATOM 578 NE ARG A 38 11.761 -4.072 7.351 1.00 0.00 N ATOM 579 CZ ARG A 38 12.821 -4.887 7.394 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.933 -4.586 6.720 1.00 0.00 N ATOM 581 NH2 ARG A 38 12.771 -6.005 8.118 1.00 0.00 N ATOM 0 H ARG A 38 9.020 -2.610 3.604 1.00 0.00 H new ATOM 0 HA ARG A 38 8.069 -1.021 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.851 -1.343 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.531 -0.466 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.619 -2.507 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.912 -3.388 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.324 -2.920 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.045 -2.003 7.159 1.00 0.00 H new ATOM 0 HE ARG A 38 10.947 -4.329 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.978 -3.730 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.737 -5.212 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.925 -6.238 8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.578 -6.627 8.152 1.00 0.00 H new ATOM 595 N GLU A 39 9.145 0.692 3.083 1.00 0.00 N ATOM 596 CA GLU A 39 9.194 2.053 2.586 1.00 0.00 C ATOM 597 C GLU A 39 7.785 2.563 2.348 1.00 0.00 C ATOM 598 O GLU A 39 7.509 3.744 2.531 1.00 0.00 O ATOM 599 CB GLU A 39 10.067 2.212 1.324 1.00 0.00 C ATOM 600 CG GLU A 39 9.489 1.624 0.049 1.00 0.00 C ATOM 601 CD GLU A 39 10.389 1.834 -1.140 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.269 0.997 -1.408 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.239 2.866 -1.826 1.00 0.00 O ATOM 0 H GLU A 39 9.407 -0.033 2.415 1.00 0.00 H new ATOM 0 HA GLU A 39 9.675 2.659 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.251 3.274 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.034 1.746 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.320 0.556 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.518 2.078 -0.149 1.00 0.00 H new ATOM 610 N PHE A 40 6.897 1.656 1.987 1.00 0.00 N ATOM 611 CA PHE A 40 5.525 1.999 1.721 1.00 0.00 C ATOM 612 C PHE A 40 4.705 2.122 3.004 1.00 0.00 C ATOM 613 O PHE A 40 3.888 3.025 3.132 1.00 0.00 O ATOM 614 CB PHE A 40 4.896 1.024 0.730 1.00 0.00 C ATOM 615 CG PHE A 40 5.442 1.132 -0.685 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.261 2.288 -1.430 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.107 0.068 -1.272 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.738 2.376 -2.729 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.589 0.150 -2.562 1.00 0.00 C ATOM 620 CZ PHE A 40 6.405 1.302 -3.294 1.00 0.00 C ATOM 0 H PHE A 40 7.112 0.666 1.872 1.00 0.00 H new ATOM 0 HA PHE A 40 5.520 2.985 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.051 0.007 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.819 1.193 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.743 3.129 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.251 -0.843 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.590 3.281 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.111 -0.689 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.780 1.368 -4.305 1.00 0.00 H new ATOM 630 N GLU A 41 4.959 1.249 3.957 1.00 0.00 N ATOM 631 CA GLU A 41 4.282 1.283 5.239 1.00 0.00 C ATOM 632 C GLU A 41 4.643 2.482 6.080 1.00 0.00 C ATOM 633 O GLU A 41 3.845 2.955 6.895 1.00 0.00 O ATOM 634 CB GLU A 41 4.412 -0.038 5.983 1.00 0.00 C ATOM 635 CG GLU A 41 3.348 -0.983 5.496 1.00 0.00 C ATOM 636 CD GLU A 41 2.022 -0.279 5.588 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.584 -0.046 6.728 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.419 0.061 4.563 1.00 0.00 O ATOM 0 H GLU A 41 5.640 0.496 3.866 1.00 0.00 H new ATOM 0 HA GLU A 41 3.222 1.412 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.400 -0.467 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.310 0.123 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.548 -1.285 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.340 -1.891 6.099 1.00 0.00 H new ATOM 645 N ARG A 42 5.833 2.987 5.877 1.00 0.00 N ATOM 646 CA ARG A 42 6.264 4.201 6.489 1.00 0.00 C ATOM 647 C ARG A 42 5.413 5.359 5.974 1.00 0.00 C ATOM 648 O ARG A 42 5.042 6.257 6.717 1.00 0.00 O ATOM 649 CB ARG A 42 7.687 4.433 6.080 1.00 0.00 C ATOM 650 CG ARG A 42 8.336 5.621 6.684 1.00 0.00 C ATOM 651 CD ARG A 42 8.654 5.414 8.128 1.00 0.00 C ATOM 652 NE ARG A 42 7.494 5.395 9.042 1.00 0.00 N ATOM 653 CZ ARG A 42 7.554 5.000 10.329 1.00 0.00 C ATOM 654 NH1 ARG A 42 8.678 4.490 10.825 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.491 5.096 11.103 1.00 0.00 N ATOM 0 H ARG A 42 6.533 2.555 5.273 1.00 0.00 H new ATOM 0 HA ARG A 42 6.170 4.136 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.271 3.550 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.724 4.532 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.253 5.848 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.680 6.485 6.578 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.191 4.471 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.333 6.204 8.449 1.00 0.00 H new ATOM 0 HE ARG A 42 6.592 5.700 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.501 4.396 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.717 4.193 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.619 5.470 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.540 4.796 12.077 1.00 0.00 H new ATOM 669 N LEU A 43 5.148 5.308 4.695 1.00 0.00 N ATOM 670 CA LEU A 43 4.355 6.299 3.982 1.00 0.00 C ATOM 671 C LEU A 43 2.895 6.308 4.451 1.00 0.00 C ATOM 672 O LEU A 43 2.334 7.368 4.724 1.00 0.00 O ATOM 673 CB LEU A 43 4.410 6.019 2.465 1.00 0.00 C ATOM 674 CG LEU A 43 5.774 6.162 1.791 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.703 5.704 0.343 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.256 7.605 1.861 1.00 0.00 C ATOM 0 H LEU A 43 5.484 4.556 4.094 1.00 0.00 H new ATOM 0 HA LEU A 43 4.781 7.279 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.050 5.005 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.713 6.694 1.969 1.00 0.00 H new ATOM 0 HG LEU A 43 6.486 5.530 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.683 5.813 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.398 4.658 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.977 6.312 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.229 7.688 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.541 8.252 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.344 7.909 2.904 1.00 0.00 H new ATOM 688 N THR A 44 2.301 5.148 4.530 1.00 0.00 N ATOM 689 CA THR A 44 0.909 5.009 4.893 1.00 0.00 C ATOM 690 C THR A 44 0.651 5.224 6.353 1.00 0.00 C ATOM 691 O THR A 44 -0.338 5.899 6.733 1.00 0.00 O ATOM 692 CB THR A 44 0.444 3.618 4.539 1.00 0.00 C ATOM 693 OG1 THR A 44 1.436 2.688 4.975 1.00 0.00 O ATOM 694 CG2 THR A 44 0.242 3.507 3.070 1.00 0.00 C ATOM 0 H THR A 44 2.771 4.262 4.343 1.00 0.00 H new ATOM 0 HA THR A 44 0.366 5.777 4.343 1.00 0.00 H new ATOM 0 HB THR A 44 -0.505 3.403 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.281 1.820 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.094 2.500 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.510 4.228 2.751 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.182 3.712 2.557 1.00 0.00 H new ATOM 702 N GLU A 45 1.540 4.659 7.164 1.00 0.00 N ATOM 703 CA GLU A 45 1.395 4.552 8.555 1.00 0.00 C ATOM 704 C GLU A 45 0.150 3.726 8.796 1.00 0.00 C ATOM 705 O GLU A 45 -0.733 4.076 9.600 1.00 0.00 O ATOM 706 CB GLU A 45 1.305 5.897 9.229 1.00 0.00 C ATOM 707 CG GLU A 45 1.887 5.843 10.596 1.00 0.00 C ATOM 708 CD GLU A 45 3.344 5.456 10.571 1.00 0.00 C ATOM 709 OE1 GLU A 45 4.203 6.319 10.340 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.659 4.270 10.790 1.00 0.00 O ATOM 0 H GLU A 45 2.411 4.254 6.822 1.00 0.00 H new ATOM 0 HA GLU A 45 2.274 4.075 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.832 6.643 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.263 6.212 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.778 6.816 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.331 5.126 11.199 1.00 0.00 H new ATOM 717 N HIS A 46 0.053 2.655 8.050 1.00 0.00 N ATOM 718 CA HIS A 46 -1.065 1.809 8.137 1.00 0.00 C ATOM 719 C HIS A 46 -0.766 0.658 9.142 1.00 0.00 C ATOM 720 O HIS A 46 0.246 0.001 9.071 1.00 0.00 O ATOM 721 CB HIS A 46 -1.512 1.325 6.719 1.00 0.00 C ATOM 722 CG HIS A 46 -2.800 0.564 6.745 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.925 -0.681 7.294 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.053 0.980 6.479 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.221 -0.961 7.395 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.952 0.010 6.900 1.00 0.00 N ATOM 0 H HIS A 46 0.757 2.362 7.372 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.922 2.354 8.532 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.619 2.188 6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.732 0.695 6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.316 1.918 6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.619 -1.867 7.827 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.970 0.045 6.838 1.00 0.00 H new ATOM 734 N PRO A 47 -1.670 0.424 10.079 1.00 0.00 N ATOM 735 CA PRO A 47 -1.483 -0.516 11.200 1.00 0.00 C ATOM 736 C PRO A 47 -1.166 -1.921 10.811 1.00 0.00 C ATOM 737 O PRO A 47 -0.317 -2.576 11.413 1.00 0.00 O ATOM 738 CB PRO A 47 -2.830 -0.517 11.882 1.00 0.00 C ATOM 739 CG PRO A 47 -3.767 0.192 10.996 1.00 0.00 C ATOM 740 CD PRO A 47 -2.959 1.069 10.143 1.00 0.00 C ATOM 0 HA PRO A 47 -0.632 -0.194 11.800 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.169 -1.537 12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.770 -0.024 12.852 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.339 -0.514 10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.485 0.771 11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.400 1.174 9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.881 2.071 10.565 1.00 0.00 H new ATOM 748 N ASP A 48 -1.833 -2.369 9.814 1.00 0.00 N ATOM 749 CA ASP A 48 -1.750 -3.719 9.412 1.00 0.00 C ATOM 750 C ASP A 48 -1.285 -3.720 8.011 1.00 0.00 C ATOM 751 O ASP A 48 -1.489 -4.660 7.295 1.00 0.00 O ATOM 752 CB ASP A 48 -3.118 -4.410 9.471 1.00 0.00 C ATOM 753 CG ASP A 48 -3.759 -4.416 10.830 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.332 -5.188 11.710 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.738 -3.680 11.031 1.00 0.00 O ATOM 0 H ASP A 48 -2.461 -1.799 9.247 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.074 -4.256 10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.790 -3.916 8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.005 -5.440 9.133 1.00 0.00 H new ATOM 760 N GLY A 49 -0.654 -2.626 7.633 1.00 0.00 N ATOM 761 CA GLY A 49 -0.201 -2.429 6.239 1.00 0.00 C ATOM 762 C GLY A 49 0.626 -3.528 5.697 1.00 0.00 C ATOM 763 O GLY A 49 0.362 -4.017 4.599 1.00 0.00 O ATOM 0 H GLY A 49 -0.436 -1.851 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.076 -2.303 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.370 -1.502 6.184 1.00 0.00 H new ATOM 767 N SER A 50 1.595 -3.937 6.443 1.00 0.00 N ATOM 768 CA SER A 50 2.414 -5.058 6.014 1.00 0.00 C ATOM 769 C SER A 50 1.540 -6.321 5.937 1.00 0.00 C ATOM 770 O SER A 50 1.540 -7.031 4.929 1.00 0.00 O ATOM 771 CB SER A 50 3.574 -5.276 6.970 1.00 0.00 C ATOM 772 OG SER A 50 4.209 -4.042 7.280 1.00 0.00 O ATOM 0 H SER A 50 1.850 -3.530 7.343 1.00 0.00 H new ATOM 0 HA SER A 50 2.828 -4.840 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.214 -5.745 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.296 -5.960 6.524 1.00 0.00 H new ATOM 0 HG SER A 50 4.952 -4.203 7.898 1.00 0.00 H new ATOM 778 N ASP A 51 0.729 -6.521 6.973 1.00 0.00 N ATOM 779 CA ASP A 51 -0.163 -7.688 7.092 1.00 0.00 C ATOM 780 C ASP A 51 -1.133 -7.778 5.930 1.00 0.00 C ATOM 781 O ASP A 51 -1.445 -8.856 5.489 1.00 0.00 O ATOM 782 CB ASP A 51 -0.954 -7.682 8.411 1.00 0.00 C ATOM 783 CG ASP A 51 -0.100 -7.891 9.633 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.173 -9.050 9.993 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.310 -6.897 10.270 1.00 0.00 O ATOM 0 H ASP A 51 0.667 -5.878 7.762 1.00 0.00 H new ATOM 0 HA ASP A 51 0.488 -8.562 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.479 -6.731 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.713 -8.463 8.372 1.00 0.00 H new ATOM 790 N LEU A 52 -1.566 -6.627 5.421 1.00 0.00 N ATOM 791 CA LEU A 52 -2.506 -6.534 4.287 1.00 0.00 C ATOM 792 C LEU A 52 -1.978 -7.268 3.080 1.00 0.00 C ATOM 793 O LEU A 52 -2.718 -7.896 2.343 1.00 0.00 O ATOM 794 CB LEU A 52 -2.713 -5.067 3.866 1.00 0.00 C ATOM 795 CG LEU A 52 -3.280 -4.109 4.899 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.413 -2.727 4.291 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.621 -4.603 5.423 1.00 0.00 C ATOM 0 H LEU A 52 -1.276 -5.718 5.782 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.444 -6.977 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.751 -4.674 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.375 -5.057 3.000 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.596 -4.059 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.820 -2.041 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.433 -2.375 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.082 -2.770 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.005 -3.899 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.327 -4.684 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.492 -5.581 5.887 1.00 0.00 H new ATOM 809 N ILE A 53 -0.687 -7.202 2.918 1.00 0.00 N ATOM 810 CA ILE A 53 -0.025 -7.739 1.744 1.00 0.00 C ATOM 811 C ILE A 53 0.173 -9.230 1.900 1.00 0.00 C ATOM 812 O ILE A 53 0.188 -9.991 0.923 1.00 0.00 O ATOM 813 CB ILE A 53 1.346 -7.055 1.592 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.147 -5.543 1.602 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.052 -7.501 0.302 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.408 -4.773 1.816 1.00 0.00 C ATOM 0 H ILE A 53 -0.054 -6.774 3.594 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.638 -7.553 0.862 1.00 0.00 H new ATOM 0 HB ILE A 53 1.984 -7.347 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.702 -5.238 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.436 -5.284 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.017 -7.001 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.204 -8.580 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.437 -7.239 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.188 -3.705 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.844 -5.049 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.114 -5.002 1.018 1.00 0.00 H new ATOM 828 N TYR A 54 0.299 -9.636 3.120 1.00 0.00 N ATOM 829 CA TYR A 54 0.604 -10.994 3.435 1.00 0.00 C ATOM 830 C TYR A 54 -0.639 -11.826 3.684 1.00 0.00 C ATOM 831 O TYR A 54 -0.679 -13.014 3.351 1.00 0.00 O ATOM 832 CB TYR A 54 1.546 -11.032 4.627 1.00 0.00 C ATOM 833 CG TYR A 54 2.865 -10.350 4.357 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.640 -10.715 3.270 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.330 -9.337 5.173 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.833 -10.093 3.007 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.527 -8.703 4.917 1.00 0.00 C ATOM 838 CZ TYR A 54 5.278 -9.090 3.824 1.00 0.00 C ATOM 839 OH TYR A 54 6.483 -8.471 3.552 1.00 0.00 O ATOM 0 H TYR A 54 0.192 -9.030 3.934 1.00 0.00 H new ATOM 0 HA TYR A 54 1.095 -11.443 2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.064 -10.554 5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.730 -12.070 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.299 -11.504 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.744 -9.036 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.422 -10.395 2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.874 -7.912 5.565 1.00 0.00 H new ATOM 0 HH TYR A 54 6.686 -8.555 2.597 1.00 0.00 H new ATOM 849 N TYR A 55 -1.638 -11.221 4.268 1.00 0.00 N ATOM 850 CA TYR A 55 -2.851 -11.911 4.590 1.00 0.00 C ATOM 851 C TYR A 55 -4.049 -11.059 4.212 1.00 0.00 C ATOM 852 O TYR A 55 -4.250 -9.983 4.794 1.00 0.00 O ATOM 853 CB TYR A 55 -2.948 -12.182 6.103 1.00 0.00 C ATOM 854 CG TYR A 55 -1.750 -12.851 6.737 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.496 -14.204 6.554 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.876 -12.120 7.532 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.403 -14.806 7.145 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.211 -12.713 8.126 1.00 0.00 C ATOM 859 CZ TYR A 55 0.446 -14.055 7.932 1.00 0.00 C ATOM 860 OH TYR A 55 1.535 -14.653 8.533 1.00 0.00 O ATOM 0 H TYR A 55 -1.631 -10.236 4.533 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.845 -12.851 4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.120 -11.233 6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.824 -12.804 6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.162 -14.793 5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.055 -11.066 7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.214 -15.858 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.878 -12.129 8.742 1.00 0.00 H new ATOM 0 HH TYR A 55 2.031 -13.985 9.051 1.00 0.00 H new ATOM 870 N PRO A 56 -4.837 -11.469 3.218 1.00 0.00 N ATOM 871 CA PRO A 56 -6.109 -10.822 2.952 1.00 0.00 C ATOM 872 C PRO A 56 -7.052 -11.139 4.121 1.00 0.00 C ATOM 873 O PRO A 56 -6.937 -12.211 4.738 1.00 0.00 O ATOM 874 CB PRO A 56 -6.598 -11.480 1.654 1.00 0.00 C ATOM 875 CG PRO A 56 -5.853 -12.769 1.568 1.00 0.00 C ATOM 876 CD PRO A 56 -4.543 -12.556 2.265 1.00 0.00 C ATOM 0 HA PRO A 56 -6.052 -9.738 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.675 -11.648 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.393 -10.848 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.416 -13.574 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.696 -13.057 0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.208 -13.459 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.756 -12.275 1.565 1.00 0.00 H new ATOM 884 N ARG A 57 -7.958 -10.241 4.453 1.00 0.00 N ATOM 885 CA ARG A 57 -8.781 -10.471 5.625 1.00 0.00 C ATOM 886 C ARG A 57 -9.963 -11.415 5.323 1.00 0.00 C ATOM 887 O ARG A 57 -9.763 -12.586 4.996 1.00 0.00 O ATOM 888 CB ARG A 57 -9.271 -9.138 6.220 1.00 0.00 C ATOM 889 CG ARG A 57 -8.158 -8.179 6.637 1.00 0.00 C ATOM 890 CD ARG A 57 -8.702 -6.991 7.431 1.00 0.00 C ATOM 891 NE ARG A 57 -9.646 -6.149 6.672 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.866 -5.753 7.088 1.00 0.00 C ATOM 893 NH1 ARG A 57 -11.385 -6.207 8.229 1.00 0.00 N ATOM 894 NH2 ARG A 57 -11.545 -4.889 6.348 1.00 0.00 N ATOM 0 H ARG A 57 -8.141 -9.374 3.948 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.158 -10.968 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.906 -8.640 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.894 -9.351 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.424 -8.714 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.639 -7.816 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.200 -7.362 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.866 -6.375 7.763 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.348 -5.838 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.858 -6.865 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.309 -5.896 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.143 -4.535 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.469 -4.578 6.646 1.00 0.00 H new ATOM 908 N ASP A 58 -11.169 -10.926 5.453 1.00 0.00 N ATOM 909 CA ASP A 58 -12.344 -11.706 5.081 1.00 0.00 C ATOM 910 C ASP A 58 -13.132 -10.972 4.032 1.00 0.00 C ATOM 911 O ASP A 58 -13.452 -11.503 2.968 1.00 0.00 O ATOM 912 CB ASP A 58 -13.236 -11.999 6.292 1.00 0.00 C ATOM 913 CG ASP A 58 -14.444 -12.857 5.942 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.489 -12.310 5.526 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.379 -14.099 6.092 1.00 0.00 O ATOM 0 H ASP A 58 -11.374 -9.994 5.812 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.999 -12.660 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.647 -12.504 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.577 -11.057 6.722 1.00 0.00 H new ATOM 920 N ASP A 59 -13.401 -9.712 4.331 1.00 0.00 N ATOM 921 CA ASP A 59 -14.247 -8.844 3.504 1.00 0.00 C ATOM 922 C ASP A 59 -13.496 -8.239 2.334 1.00 0.00 C ATOM 923 O ASP A 59 -14.012 -7.342 1.659 1.00 0.00 O ATOM 924 CB ASP A 59 -14.841 -7.703 4.350 1.00 0.00 C ATOM 925 CG ASP A 59 -15.653 -8.180 5.527 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.753 -8.718 5.334 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.210 -8.020 6.669 1.00 0.00 O ATOM 0 H ASP A 59 -13.037 -9.250 5.164 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.040 -9.478 3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.030 -7.071 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.471 -7.081 3.714 1.00 0.00 H new ATOM 932 N ARG A 60 -12.305 -8.706 2.074 1.00 0.00 N ATOM 933 CA ARG A 60 -11.525 -8.149 0.998 1.00 0.00 C ATOM 934 C ARG A 60 -11.431 -9.011 -0.196 1.00 0.00 C ATOM 935 O ARG A 60 -11.533 -10.237 -0.121 1.00 0.00 O ATOM 936 CB ARG A 60 -10.124 -7.744 1.435 1.00 0.00 C ATOM 937 CG ARG A 60 -10.091 -6.451 2.150 1.00 0.00 C ATOM 938 CD ARG A 60 -10.452 -5.317 1.210 1.00 0.00 C ATOM 939 NE ARG A 60 -10.745 -4.115 1.960 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.653 -3.207 1.629 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.328 -3.319 0.482 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.877 -2.189 2.446 1.00 0.00 N ATOM 0 H ARG A 60 -11.855 -9.464 2.586 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.085 -7.258 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.713 -8.520 2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.479 -7.684 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.788 -6.474 2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.098 -6.284 2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.628 -5.131 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.316 -5.597 0.607 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.210 -3.953 2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.146 -4.105 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.026 -2.619 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.354 -2.110 3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.573 -1.484 2.203 1.00 0.00 H new ATOM 956 N GLU A 61 -11.248 -8.349 -1.288 1.00 0.00 N ATOM 957 CA GLU A 61 -10.926 -8.960 -2.518 1.00 0.00 C ATOM 958 C GLU A 61 -9.457 -9.314 -2.431 1.00 0.00 C ATOM 959 O GLU A 61 -8.650 -8.495 -1.962 1.00 0.00 O ATOM 960 CB GLU A 61 -11.175 -7.956 -3.642 1.00 0.00 C ATOM 961 CG GLU A 61 -10.763 -8.427 -5.011 1.00 0.00 C ATOM 962 CD GLU A 61 -11.469 -9.683 -5.427 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.644 -9.604 -5.839 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.880 -10.769 -5.315 1.00 0.00 O ATOM 0 H GLU A 61 -11.323 -7.333 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.526 -9.847 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.237 -7.710 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.639 -7.035 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.969 -7.642 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.687 -8.599 -5.023 1.00 0.00 H new ATOM 971 N ASP A 62 -9.104 -10.494 -2.839 1.00 0.00 N ATOM 972 CA ASP A 62 -7.724 -10.927 -2.747 1.00 0.00 C ATOM 973 C ASP A 62 -7.001 -10.440 -3.972 1.00 0.00 C ATOM 974 O ASP A 62 -6.775 -11.201 -4.922 1.00 0.00 O ATOM 975 CB ASP A 62 -7.632 -12.458 -2.662 1.00 0.00 C ATOM 976 CG ASP A 62 -6.256 -13.001 -2.263 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.207 -12.520 -2.748 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.216 -13.976 -1.475 1.00 0.00 O ATOM 0 H ASP A 62 -9.743 -11.181 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.272 -10.517 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.369 -12.812 -1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.905 -12.878 -3.630 1.00 0.00 H new ATOM 983 N SER A 63 -6.767 -9.161 -4.035 1.00 0.00 N ATOM 984 CA SER A 63 -6.066 -8.633 -5.146 1.00 0.00 C ATOM 985 C SER A 63 -5.260 -7.435 -4.722 1.00 0.00 C ATOM 986 O SER A 63 -5.527 -6.859 -3.658 1.00 0.00 O ATOM 987 CB SER A 63 -7.066 -8.231 -6.227 1.00 0.00 C ATOM 988 OG SER A 63 -7.929 -7.190 -5.785 1.00 0.00 O ATOM 0 H SER A 63 -7.052 -8.478 -3.333 1.00 0.00 H new ATOM 0 HA SER A 63 -5.388 -9.390 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.528 -7.904 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.660 -9.099 -6.514 1.00 0.00 H new ATOM 0 HG SER A 63 -8.554 -6.957 -6.502 1.00 0.00 H new ATOM 994 N PRO A 64 -4.249 -7.042 -5.531 1.00 0.00 N ATOM 995 CA PRO A 64 -3.511 -5.799 -5.335 1.00 0.00 C ATOM 996 C PRO A 64 -4.482 -4.615 -5.158 1.00 0.00 C ATOM 997 O PRO A 64 -4.282 -3.765 -4.306 1.00 0.00 O ATOM 998 CB PRO A 64 -2.727 -5.675 -6.660 1.00 0.00 C ATOM 999 CG PRO A 64 -2.455 -7.080 -7.033 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.693 -7.831 -6.658 1.00 0.00 C ATOM 0 HA PRO A 64 -2.876 -5.795 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.310 -5.162 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.805 -5.109 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.247 -7.171 -8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.584 -7.467 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.394 -7.890 -7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.466 -8.854 -6.358 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.570 -4.623 -5.926 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.554 -3.551 -5.869 1.00 0.00 C ATOM 1010 C GLU A 65 -7.341 -3.614 -4.560 1.00 0.00 C ATOM 1011 O GLU A 65 -7.589 -2.588 -3.915 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.501 -3.618 -7.070 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.774 -3.690 -8.405 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.686 -3.541 -9.590 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.383 -4.507 -9.956 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.710 -2.452 -10.197 1.00 0.00 O ATOM 0 H GLU A 65 -5.790 -5.362 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.024 -2.599 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.146 -4.491 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.148 -2.741 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.015 -2.908 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.252 -4.644 -8.475 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.695 -4.824 -4.159 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.432 -5.028 -2.927 1.00 0.00 C ATOM 1025 C GLY A 66 -7.617 -4.663 -1.704 1.00 0.00 C ATOM 1026 O GLY A 66 -8.153 -4.159 -0.720 1.00 0.00 O ATOM 0 H GLY A 66 -7.482 -5.680 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.342 -4.428 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.739 -6.072 -2.858 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.323 -4.908 -1.769 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.417 -4.525 -0.696 1.00 0.00 C ATOM 1032 C ILE A 67 -5.358 -3.013 -0.582 1.00 0.00 C ATOM 1033 O ILE A 67 -5.544 -2.469 0.497 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.994 -5.124 -0.898 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.049 -6.658 -0.786 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.996 -4.537 0.106 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.724 -7.348 -1.033 1.00 0.00 C ATOM 0 H ILE A 67 -5.871 -5.373 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.806 -4.935 0.236 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.647 -4.857 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.405 -6.926 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.781 -7.037 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.012 -4.975 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.939 -3.457 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.326 -4.761 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.851 -8.426 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.374 -7.114 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.992 -7.001 -0.304 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.174 -2.341 -1.709 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.114 -0.873 -1.760 1.00 0.00 C ATOM 1051 C VAL A 68 -6.398 -0.258 -1.253 1.00 0.00 C ATOM 1052 O VAL A 68 -6.404 0.831 -0.653 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.807 -0.394 -3.187 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.842 1.130 -3.302 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.456 -0.889 -3.544 1.00 0.00 C ATOM 0 H VAL A 68 -5.061 -2.790 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.306 -0.546 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.568 -0.782 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.619 1.423 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.833 1.493 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.099 1.563 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.205 -0.566 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.724 -0.488 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.444 -1.978 -3.498 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.471 -0.978 -1.441 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.748 -0.551 -0.997 1.00 0.00 C ATOM 1067 C LYS A 69 -8.775 -0.444 0.507 1.00 0.00 C ATOM 1068 O LYS A 69 -9.383 0.468 1.053 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.790 -1.529 -1.408 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.141 -0.907 -1.423 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.573 -0.611 -2.834 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.622 0.348 -3.563 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.120 0.659 -4.907 1.00 0.00 N ATOM 0 H LYS A 69 -7.472 -1.883 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.948 0.423 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.556 -1.918 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.786 -2.377 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.860 -1.575 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.130 0.014 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.637 -1.545 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.574 -0.180 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.516 1.268 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.631 -0.100 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.460 1.309 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.198 -0.218 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.056 1.107 -4.835 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.084 -1.354 1.169 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.065 -1.379 2.602 1.00 0.00 C ATOM 1089 C GLU A 70 -7.382 -0.123 3.105 1.00 0.00 C ATOM 1090 O GLU A 70 -7.899 0.545 4.007 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.354 -2.618 3.128 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.773 -2.986 4.536 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.211 -3.425 4.565 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.121 -2.579 4.567 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.469 -4.629 4.501 1.00 0.00 O ATOM 0 H GLU A 70 -7.529 -2.085 0.725 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.091 -1.416 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.558 -3.457 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.277 -2.449 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.136 -3.786 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.635 -2.130 5.197 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.233 0.221 2.482 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.524 1.446 2.810 1.00 0.00 C ATOM 1104 C ILE A 71 -6.430 2.658 2.581 1.00 0.00 C ATOM 1105 O ILE A 71 -6.513 3.547 3.439 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.195 1.650 1.990 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.150 0.576 2.269 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.574 3.009 2.268 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.310 -0.709 1.525 1.00 0.00 C ATOM 0 H ILE A 71 -5.790 -0.340 1.754 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.247 1.354 3.860 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.491 1.579 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.167 0.986 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.160 0.357 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.659 3.117 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.276 3.794 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.341 3.092 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.510 -1.394 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.273 -1.155 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.264 -0.517 0.453 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.110 2.683 1.428 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.998 3.759 1.084 1.00 0.00 C ATOM 1123 C LYS A 72 -9.063 3.976 2.100 1.00 0.00 C ATOM 1124 O LYS A 72 -9.117 5.024 2.730 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.703 3.496 -0.229 1.00 0.00 C ATOM 1126 CG LYS A 72 -7.940 3.844 -1.438 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.798 3.802 -2.691 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.883 4.871 -2.665 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.626 4.928 -3.931 1.00 0.00 N ATOM 0 H LYS A 72 -7.048 1.951 0.720 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.359 4.640 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.963 2.439 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.639 4.055 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.516 4.842 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.104 3.153 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.168 3.944 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.258 2.818 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.574 4.667 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.431 5.842 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.184 5.805 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.957 4.910 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.264 4.109 -3.996 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.851 2.956 2.313 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.017 3.063 3.138 1.00 0.00 C ATOM 1145 C GLU A 73 -10.661 3.326 4.586 1.00 0.00 C ATOM 1146 O GLU A 73 -11.416 3.969 5.313 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.889 1.829 2.971 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.299 1.575 1.510 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.929 2.783 0.851 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.026 3.180 1.251 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.310 3.369 -0.072 1.00 0.00 O ATOM 0 H GLU A 73 -9.699 2.028 1.917 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.594 3.928 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.353 0.958 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.786 1.940 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.420 1.274 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.001 0.742 1.476 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.499 2.865 4.981 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.015 3.086 6.320 1.00 0.00 C ATOM 1160 C TRP A 74 -8.558 4.529 6.496 1.00 0.00 C ATOM 1161 O TRP A 74 -9.064 5.226 7.355 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.878 2.134 6.660 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.442 2.192 8.090 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.028 1.562 9.140 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.324 2.907 8.625 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.343 1.826 10.290 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.295 2.650 10.005 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.346 3.735 8.070 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.328 3.183 10.837 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.383 4.270 8.892 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.377 3.990 10.264 1.00 0.00 C ATOM 0 H TRP A 74 -8.866 2.329 4.387 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.840 2.891 7.005 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.189 1.116 6.427 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.024 2.361 6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.909 0.941 9.074 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.577 1.465 11.215 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.346 3.952 7.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.321 2.973 11.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.622 4.914 8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.606 4.419 10.886 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.629 4.994 5.647 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.067 6.342 5.802 1.00 0.00 C ATOM 1184 C ARG A 75 -8.110 7.398 5.570 1.00 0.00 C ATOM 1185 O ARG A 75 -8.110 8.433 6.241 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.888 6.586 4.876 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.712 5.656 5.103 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.507 6.138 4.366 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.806 6.391 2.961 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.213 7.315 2.220 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.290 8.106 2.747 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.574 7.479 0.968 1.00 0.00 N ATOM 0 H ARG A 75 -7.256 4.465 4.858 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.711 6.406 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.224 6.482 3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.551 7.615 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.492 5.594 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.969 4.650 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.136 7.052 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.712 5.396 4.442 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.522 5.816 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.032 8.005 3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.837 8.816 2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.309 6.896 0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.119 8.190 0.395 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.016 7.114 4.649 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.095 8.012 4.311 1.00 0.00 C ATOM 1208 C ALA A 76 -11.038 8.203 5.505 1.00 0.00 C ATOM 1209 O ALA A 76 -11.497 9.307 5.768 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.843 7.498 3.074 1.00 0.00 C ATOM 0 H ALA A 76 -9.019 6.246 4.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.678 8.989 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.654 8.183 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.154 7.435 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.253 6.510 3.281 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.289 7.124 6.238 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.171 7.160 7.406 1.00 0.00 C ATOM 1218 C ALA A 77 -11.434 7.641 8.649 1.00 0.00 C ATOM 1219 O ALA A 77 -12.024 8.240 9.552 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.756 5.784 7.671 1.00 0.00 C ATOM 0 H ALA A 77 -10.892 6.205 6.044 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.973 7.864 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.409 5.828 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.330 5.459 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.949 5.075 7.858 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.149 7.375 8.689 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.320 7.672 9.855 1.00 0.00 C ATOM 1228 C ASN A 78 -8.752 9.086 9.824 1.00 0.00 C ATOM 1229 O ASN A 78 -7.915 9.443 10.661 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.192 6.644 9.979 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.261 5.840 11.267 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.695 6.230 12.285 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.927 4.709 11.233 1.00 0.00 N ATOM 0 H ASN A 78 -9.639 6.946 7.917 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.964 7.609 10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.234 5.963 9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.232 7.158 9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.985 4.126 12.068 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.386 4.413 10.372 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.191 9.871 8.854 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.793 11.265 8.761 1.00 0.00 C ATOM 1242 C GLY A 79 -7.334 11.459 8.415 1.00 0.00 C ATOM 1243 O GLY A 79 -6.721 12.461 8.809 1.00 0.00 O ATOM 0 H GLY A 79 -9.826 9.564 8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.405 11.759 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.000 11.757 9.711 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.768 10.530 7.678 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.415 10.635 7.285 1.00 0.00 C ATOM 1249 C LYS A 80 -5.309 11.217 5.894 1.00 0.00 C ATOM 1250 O LYS A 80 -6.306 11.700 5.333 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.713 9.295 7.366 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.452 8.816 8.785 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.339 7.788 8.809 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.051 7.296 10.227 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.811 6.504 10.309 1.00 0.00 N ATOM 0 H LYS A 80 -7.245 9.692 7.345 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.915 11.311 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.315 8.549 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.763 9.362 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.184 9.663 9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.362 8.383 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.612 6.941 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.434 8.222 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.976 8.153 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.888 6.691 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.812 5.948 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.755 5.862 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.990 7.143 10.304 1.00 0.00 H new ATOM 1269 N SER A 81 -4.127 11.194 5.351 1.00 0.00 N ATOM 1270 CA SER A 81 -3.875 11.718 4.047 1.00 0.00 C ATOM 1271 C SER A 81 -4.483 10.793 2.975 1.00 0.00 C ATOM 1272 O SER A 81 -4.973 9.694 3.283 1.00 0.00 O ATOM 1273 CB SER A 81 -2.370 11.856 3.865 1.00 0.00 C ATOM 1274 OG SER A 81 -2.049 12.624 2.717 1.00 0.00 O ATOM 0 H SER A 81 -3.303 10.805 5.810 1.00 0.00 H new ATOM 0 HA SER A 81 -4.341 12.697 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.938 12.325 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.922 10.866 3.778 1.00 0.00 H new ATOM 0 HG SER A 81 -1.091 12.829 2.718 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.439 11.227 1.743 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.000 10.468 0.674 1.00 0.00 C ATOM 1282 C GLY A 82 -3.978 10.222 -0.389 1.00 0.00 C ATOM 1283 O GLY A 82 -2.796 10.028 -0.079 1.00 0.00 O ATOM 0 H GLY A 82 -4.015 12.111 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.374 9.517 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.852 11.000 0.251 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.412 10.157 -1.608 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.549 10.022 -2.724 1.00 0.00 C ATOM 1289 C PHE A 83 -3.655 11.284 -3.536 1.00 0.00 C ATOM 1290 O PHE A 83 -4.562 12.102 -3.293 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.953 8.816 -3.570 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.913 7.515 -2.821 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.722 6.864 -2.637 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.064 6.953 -2.292 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.669 5.681 -1.945 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.011 5.759 -1.595 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.805 5.124 -1.422 1.00 0.00 C ATOM 0 H PHE A 83 -5.401 10.198 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.523 9.865 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.961 8.974 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.290 8.749 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.814 7.287 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.012 7.452 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.720 5.183 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.914 5.328 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.754 4.193 -0.878 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.763 11.468 -4.466 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.792 12.631 -5.306 1.00 0.00 C ATOM 1309 C LYS A 84 -4.004 12.587 -6.202 1.00 0.00 C ATOM 1310 O LYS A 84 -4.320 11.561 -6.803 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.519 12.737 -6.141 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.498 13.942 -7.087 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.209 14.032 -7.879 1.00 0.00 C ATOM 1314 CE LYS A 84 0.982 14.263 -6.973 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.247 14.429 -7.717 1.00 0.00 N ATOM 0 H LYS A 84 -2.000 10.821 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.850 13.514 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.661 12.797 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.403 11.825 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.340 13.875 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.631 14.857 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.064 13.112 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.281 14.844 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.804 15.151 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.078 13.422 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.029 14.567 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.427 13.579 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.176 15.258 -8.341 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.649 13.699 -6.303 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.841 13.904 -7.052 1.00 0.00 C ATOM 1331 C GLN A 85 -5.520 14.120 -8.541 1.00 0.00 C ATOM 1332 O GLN A 85 -6.130 14.944 -9.211 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.446 15.130 -6.448 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.877 14.923 -5.004 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.937 16.197 -4.201 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.041 17.106 -4.464 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.754 16.333 -3.298 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.335 14.547 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.514 13.048 -7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.725 15.946 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.309 15.434 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.859 14.450 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.184 14.233 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.442 15.602 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.746 17.177 -2.726 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.601 13.339 -9.042 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.182 13.443 -10.401 1.00 0.00 C ATOM 1348 C GLY A 86 -4.839 12.388 -11.234 1.00 0.00 C ATOM 1349 O GLY A 86 -4.308 11.274 -11.326 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.894 12.646 -11.823 1.00 0.00 O ATOM 0 H GLY A 86 -4.124 12.611 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.432 14.430 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.099 13.341 -10.463 1.00 0.00 H new TER 1354 GLY A 86