USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HE2:sc= -0.669 K(o=-1.3,f=-10!) USER MOD Set 1.2: A 77 MET CE :methyl -151:sc= -0.662 (180deg=-1.43!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.861 USER MOD Single : A 18 THR OG1 : rot 170:sc= 1.09 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0865 K(o=-0.086,f=-1.6!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00998 X(o=-0.01,f=0.19) USER MOD Single : A 53 GLN : amide:sc= 0.0085 X(o=0.0085,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00659 USER MOD Single : A 62 SER OG : rot -25:sc= 0.144 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 3:sc= 0.397 USER MOD Single : A 79 CYS SG : rot 100:sc= -2.04 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 98 CYS SG : rot 114:sc= -0.771 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0305 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -2.531 7.657 17.462 1.00 0.00 N ATOM 88 CA PRO A 9 -2.882 7.245 16.114 1.00 0.00 C ATOM 89 C PRO A 9 -3.164 8.459 15.226 1.00 0.00 C ATOM 90 O PRO A 9 -3.973 9.316 15.579 1.00 0.00 O ATOM 91 CB PRO A 9 -4.091 6.339 16.281 1.00 0.00 C ATOM 92 CG PRO A 9 -4.654 6.645 17.660 1.00 0.00 C ATOM 93 CD PRO A 9 -3.609 7.442 18.423 1.00 0.00 C ATOM 0 HA PRO A 9 -2.072 6.717 15.612 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.832 6.530 15.505 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.807 5.290 16.199 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.581 7.212 17.577 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.892 5.722 18.189 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.016 8.388 18.780 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.256 6.896 19.298 1.00 0.00 H new ATOM 101 N ILE A 10 -2.481 8.494 14.092 1.00 0.00 N ATOM 102 CA ILE A 10 -2.648 9.588 13.151 1.00 0.00 C ATOM 103 C ILE A 10 -3.993 9.442 12.437 1.00 0.00 C ATOM 104 O ILE A 10 -4.734 10.413 12.295 1.00 0.00 O ATOM 105 CB ILE A 10 -1.452 9.664 12.199 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.137 9.756 12.977 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.613 10.817 11.207 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.045 9.320 12.109 1.00 0.00 C ATOM 0 H ILE A 10 -1.810 7.782 13.803 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.669 10.542 13.678 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.419 8.742 11.618 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.016 10.779 13.319 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.191 9.128 13.866 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.750 10.848 10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.518 10.667 10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.686 11.758 11.752 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.967 9.395 12.686 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.900 8.288 11.789 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.111 9.966 11.233 1.00 0.00 H new ATOM 120 N GLY A 11 -4.268 8.219 12.007 1.00 0.00 N ATOM 121 CA GLY A 11 -5.511 7.932 11.311 1.00 0.00 C ATOM 122 C GLY A 11 -5.732 6.424 11.181 1.00 0.00 C ATOM 123 O GLY A 11 -4.775 5.663 11.047 1.00 0.00 O ATOM 0 H GLY A 11 -3.651 7.416 12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.346 8.380 11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.491 8.387 10.321 1.00 0.00 H new ATOM 127 N GLU A 12 -6.998 6.037 11.225 1.00 0.00 N ATOM 128 CA GLU A 12 -7.356 4.633 11.114 1.00 0.00 C ATOM 129 C GLU A 12 -7.836 4.319 9.696 1.00 0.00 C ATOM 130 O GLU A 12 -8.498 5.141 9.064 1.00 0.00 O ATOM 131 CB GLU A 12 -8.417 4.255 12.149 1.00 0.00 C ATOM 132 CG GLU A 12 -7.936 4.567 13.567 1.00 0.00 C ATOM 133 CD GLU A 12 -8.632 5.813 14.120 1.00 0.00 C ATOM 134 OE1 GLU A 12 -8.446 6.886 13.506 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.333 5.664 15.144 1.00 0.00 O ATOM 0 H GLU A 12 -7.789 6.671 11.336 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.468 4.034 11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.339 4.800 11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.650 3.193 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.135 3.716 14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.857 4.720 13.563 1.00 0.00 H new ATOM 142 N ALA A 13 -7.484 3.127 9.237 1.00 0.00 N ATOM 143 CA ALA A 13 -7.871 2.694 7.905 1.00 0.00 C ATOM 144 C ALA A 13 -8.387 1.255 7.971 1.00 0.00 C ATOM 145 O ALA A 13 -7.737 0.385 8.548 1.00 0.00 O ATOM 146 CB ALA A 13 -6.683 2.844 6.953 1.00 0.00 C ATOM 0 H ALA A 13 -6.935 2.448 9.764 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.678 3.317 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.974 2.519 5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.374 3.889 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.854 2.231 7.307 1.00 0.00 H new ATOM 152 N SER A 14 -9.550 1.049 7.371 1.00 0.00 N ATOM 153 CA SER A 14 -10.160 -0.270 7.355 1.00 0.00 C ATOM 154 C SER A 14 -9.909 -0.946 6.006 1.00 0.00 C ATOM 155 O SER A 14 -9.962 -0.296 4.962 1.00 0.00 O ATOM 156 CB SER A 14 -11.662 -0.185 7.634 1.00 0.00 C ATOM 157 OG SER A 14 -11.983 0.893 8.509 1.00 0.00 O ATOM 0 H SER A 14 -10.086 1.773 6.892 1.00 0.00 H new ATOM 0 HA SER A 14 -9.704 -0.867 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.199 -0.061 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.003 -1.122 8.074 1.00 0.00 H new ATOM 0 HG SER A 14 -12.951 0.914 8.661 1.00 0.00 H new ATOM 163 N ILE A 15 -9.641 -2.242 6.070 1.00 0.00 N ATOM 164 CA ILE A 15 -9.381 -3.013 4.866 1.00 0.00 C ATOM 165 C ILE A 15 -10.704 -3.541 4.309 1.00 0.00 C ATOM 166 O ILE A 15 -11.402 -4.305 4.975 1.00 0.00 O ATOM 167 CB ILE A 15 -8.350 -4.109 5.144 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.960 -3.509 5.370 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.348 -5.155 4.028 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.964 -4.584 5.811 1.00 0.00 C ATOM 0 H ILE A 15 -9.598 -2.778 6.937 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.940 -2.380 4.096 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.634 -4.620 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.609 -3.038 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.016 -2.727 6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.607 -5.923 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.334 -5.613 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.102 -4.676 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.984 -4.131 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.305 -5.036 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.892 -5.352 5.040 1.00 0.00 H new ATOM 182 N LEU A 16 -11.010 -3.114 3.092 1.00 0.00 N ATOM 183 CA LEU A 16 -12.237 -3.534 2.438 1.00 0.00 C ATOM 184 C LEU A 16 -11.963 -4.791 1.609 1.00 0.00 C ATOM 185 O LEU A 16 -12.791 -5.699 1.561 1.00 0.00 O ATOM 186 CB LEU A 16 -12.834 -2.382 1.628 1.00 0.00 C ATOM 187 CG LEU A 16 -12.754 -0.996 2.273 1.00 0.00 C ATOM 188 CD1 LEU A 16 -13.221 0.089 1.301 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.531 -0.959 3.590 1.00 0.00 C ATOM 0 H LEU A 16 -10.429 -2.481 2.542 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.992 -3.798 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.328 -2.342 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.882 -2.608 1.429 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.710 -0.789 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.154 1.064 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.588 0.080 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.254 -0.102 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.458 0.037 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.578 -1.197 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.111 -1.690 4.281 1.00 0.00 H new ATOM 201 N ALA A 17 -10.799 -4.802 0.977 1.00 0.00 N ATOM 202 CA ALA A 17 -10.405 -5.932 0.153 1.00 0.00 C ATOM 203 C ALA A 17 -8.890 -6.124 0.247 1.00 0.00 C ATOM 204 O ALA A 17 -8.171 -5.216 0.660 1.00 0.00 O ATOM 205 CB ALA A 17 -10.876 -5.704 -1.284 1.00 0.00 C ATOM 0 H ALA A 17 -10.116 -4.046 1.019 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.875 -6.849 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.581 -6.552 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.961 -5.604 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.422 -4.794 -1.675 1.00 0.00 H new ATOM 211 N THR A 18 -8.451 -7.311 -0.143 1.00 0.00 N ATOM 212 CA THR A 18 -7.034 -7.633 -0.108 1.00 0.00 C ATOM 213 C THR A 18 -6.659 -8.516 -1.300 1.00 0.00 C ATOM 214 O THR A 18 -7.439 -9.373 -1.713 1.00 0.00 O ATOM 215 CB THR A 18 -6.729 -8.278 1.246 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.197 -9.617 1.106 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.585 -7.700 2.375 1.00 0.00 C ATOM 0 H THR A 18 -9.051 -8.062 -0.485 1.00 0.00 H new ATOM 0 HA THR A 18 -6.422 -6.736 -0.202 1.00 0.00 H new ATOM 0 HB THR A 18 -5.674 -8.142 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.898 -10.150 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.329 -8.192 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.397 -6.630 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.639 -7.866 2.154 1.00 0.00 H new ATOM 225 N PHE A 19 -5.463 -8.278 -1.819 1.00 0.00 N ATOM 226 CA PHE A 19 -4.975 -9.040 -2.955 1.00 0.00 C ATOM 227 C PHE A 19 -3.455 -8.918 -3.085 1.00 0.00 C ATOM 228 O PHE A 19 -2.807 -8.282 -2.255 1.00 0.00 O ATOM 229 CB PHE A 19 -5.631 -8.451 -4.205 1.00 0.00 C ATOM 230 CG PHE A 19 -5.346 -6.962 -4.414 1.00 0.00 C ATOM 231 CD1 PHE A 19 -4.090 -6.548 -4.728 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.350 -6.053 -4.285 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.825 -5.166 -4.922 1.00 0.00 C ATOM 234 CE2 PHE A 19 -6.086 -4.672 -4.479 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.829 -4.257 -4.794 1.00 0.00 C ATOM 0 H PHE A 19 -4.818 -7.568 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.218 -10.095 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.285 -9.003 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.709 -8.599 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.293 -7.270 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.348 -6.382 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.827 -4.837 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.883 -3.950 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.628 -3.206 -4.942 1.00 0.00 H new ATOM 245 N THR A 20 -2.931 -9.537 -4.132 1.00 0.00 N ATOM 246 CA THR A 20 -1.500 -9.505 -4.382 1.00 0.00 C ATOM 247 C THR A 20 -1.202 -8.764 -5.686 1.00 0.00 C ATOM 248 O THR A 20 -2.106 -8.514 -6.483 1.00 0.00 O ATOM 249 CB THR A 20 -0.986 -10.946 -4.371 1.00 0.00 C ATOM 250 OG1 THR A 20 -1.601 -11.525 -3.223 1.00 0.00 O ATOM 251 CG2 THR A 20 0.513 -11.031 -4.074 1.00 0.00 C ATOM 0 H THR A 20 -3.472 -10.064 -4.818 1.00 0.00 H new ATOM 0 HA THR A 20 -0.975 -8.951 -3.604 1.00 0.00 H new ATOM 0 HB THR A 20 -1.192 -11.412 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.323 -12.461 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.826 -12.075 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.067 -10.483 -4.837 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.715 -10.595 -3.096 1.00 0.00 H new ATOM 259 N VAL A 21 0.068 -8.432 -5.865 1.00 0.00 N ATOM 260 CA VAL A 21 0.496 -7.724 -7.059 1.00 0.00 C ATOM 261 C VAL A 21 1.808 -8.330 -7.563 1.00 0.00 C ATOM 262 O VAL A 21 2.519 -8.993 -6.810 1.00 0.00 O ATOM 263 CB VAL A 21 0.602 -6.226 -6.770 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.785 -5.589 -6.661 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.424 -5.968 -5.506 1.00 0.00 C ATOM 0 H VAL A 21 0.815 -8.641 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.241 -7.836 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 21 1.120 -5.759 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.681 -4.524 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.323 -5.727 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.340 -6.062 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.484 -4.895 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.946 -6.455 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.429 -6.370 -5.637 1.00 0.00 H new ATOM 275 N THR A 22 2.089 -8.079 -8.833 1.00 0.00 N ATOM 276 CA THR A 22 3.303 -8.591 -9.446 1.00 0.00 C ATOM 277 C THR A 22 4.269 -7.446 -9.754 1.00 0.00 C ATOM 278 O THR A 22 3.860 -6.402 -10.261 1.00 0.00 O ATOM 279 CB THR A 22 2.903 -9.398 -10.684 1.00 0.00 C ATOM 280 OG1 THR A 22 1.850 -10.240 -10.224 1.00 0.00 O ATOM 281 CG2 THR A 22 3.996 -10.374 -11.124 1.00 0.00 C ATOM 0 H THR A 22 1.497 -7.528 -9.454 1.00 0.00 H new ATOM 0 HA THR A 22 3.840 -9.253 -8.767 1.00 0.00 H new ATOM 0 HB THR A 22 2.673 -8.717 -11.503 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.530 -10.797 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.662 -10.921 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.904 -9.820 -11.363 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.202 -11.077 -10.317 1.00 0.00 H new ATOM 289 N GLU A 23 5.534 -7.679 -9.434 1.00 0.00 N ATOM 290 CA GLU A 23 6.562 -6.680 -9.670 1.00 0.00 C ATOM 291 C GLU A 23 7.873 -7.354 -10.079 1.00 0.00 C ATOM 292 O GLU A 23 8.620 -7.834 -9.227 1.00 0.00 O ATOM 293 CB GLU A 23 6.760 -5.796 -8.437 1.00 0.00 C ATOM 294 CG GLU A 23 5.580 -4.840 -8.252 1.00 0.00 C ATOM 295 CD GLU A 23 6.065 -3.423 -7.940 1.00 0.00 C ATOM 296 OE1 GLU A 23 7.129 -3.318 -7.291 1.00 0.00 O ATOM 297 OE2 GLU A 23 5.362 -2.478 -8.357 1.00 0.00 O ATOM 0 H GLU A 23 5.870 -8.545 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 23 6.237 -6.037 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.868 -6.421 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.683 -5.225 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.971 -4.829 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.942 -5.196 -7.443 1.00 0.00 H new ATOM 304 N GLY A 24 8.114 -7.367 -11.381 1.00 0.00 N ATOM 305 CA GLY A 24 9.322 -7.974 -11.913 1.00 0.00 C ATOM 306 C GLY A 24 9.147 -9.484 -12.087 1.00 0.00 C ATOM 307 O GLY A 24 9.476 -10.034 -13.136 1.00 0.00 O ATOM 0 H GLY A 24 7.493 -6.967 -12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.569 -7.520 -12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.158 -7.776 -11.242 1.00 0.00 H new ATOM 311 N LYS A 25 8.629 -10.111 -11.041 1.00 0.00 N ATOM 312 CA LYS A 25 8.406 -11.547 -11.064 1.00 0.00 C ATOM 313 C LYS A 25 7.799 -11.986 -9.730 1.00 0.00 C ATOM 314 O LYS A 25 6.931 -12.857 -9.696 1.00 0.00 O ATOM 315 CB LYS A 25 9.698 -12.284 -11.424 1.00 0.00 C ATOM 316 CG LYS A 25 9.415 -13.456 -12.367 1.00 0.00 C ATOM 317 CD LYS A 25 10.536 -14.496 -12.299 1.00 0.00 C ATOM 318 CE LYS A 25 9.970 -15.896 -12.054 1.00 0.00 C ATOM 319 NZ LYS A 25 9.441 -16.469 -13.312 1.00 0.00 N ATOM 0 H LYS A 25 8.357 -9.651 -10.172 1.00 0.00 H new ATOM 0 HA LYS A 25 7.689 -11.809 -11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.396 -11.593 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.177 -12.650 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.466 -13.921 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.315 -13.090 -13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.103 -14.487 -13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.231 -14.236 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.749 -16.544 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.177 -15.849 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.061 -17.419 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.684 -15.858 -13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.206 -16.532 -14.013 1.00 0.00 H new ATOM 333 N LYS A 26 8.280 -11.363 -8.664 1.00 0.00 N ATOM 334 CA LYS A 26 7.795 -11.679 -7.331 1.00 0.00 C ATOM 335 C LYS A 26 6.324 -11.275 -7.219 1.00 0.00 C ATOM 336 O LYS A 26 5.766 -10.685 -8.143 1.00 0.00 O ATOM 337 CB LYS A 26 8.692 -11.039 -6.269 1.00 0.00 C ATOM 338 CG LYS A 26 9.032 -12.039 -5.163 1.00 0.00 C ATOM 339 CD LYS A 26 8.693 -11.468 -3.784 1.00 0.00 C ATOM 340 CE LYS A 26 9.703 -10.394 -3.373 1.00 0.00 C ATOM 341 NZ LYS A 26 10.268 -10.698 -2.039 1.00 0.00 N ATOM 0 H LYS A 26 9.000 -10.641 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 26 7.845 -12.753 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.610 -10.678 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.190 -10.172 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.480 -12.965 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.092 -12.288 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.690 -11.042 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.688 -12.270 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.504 -10.339 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.218 -9.418 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.951 -9.960 -1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.502 -10.728 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.748 -11.620 -2.067 1.00 0.00 H new ATOM 355 N LYS A 27 5.737 -11.608 -6.078 1.00 0.00 N ATOM 356 CA LYS A 27 4.342 -11.287 -5.833 1.00 0.00 C ATOM 357 C LYS A 27 4.207 -10.631 -4.458 1.00 0.00 C ATOM 358 O LYS A 27 4.218 -11.316 -3.436 1.00 0.00 O ATOM 359 CB LYS A 27 3.467 -12.530 -6.010 1.00 0.00 C ATOM 360 CG LYS A 27 3.443 -12.981 -7.472 1.00 0.00 C ATOM 361 CD LYS A 27 2.007 -13.102 -7.985 1.00 0.00 C ATOM 362 CE LYS A 27 1.379 -14.428 -7.551 1.00 0.00 C ATOM 363 NZ LYS A 27 1.117 -15.286 -8.728 1.00 0.00 N ATOM 0 H LYS A 27 6.203 -12.097 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 27 3.983 -10.565 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.845 -13.337 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.452 -12.315 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.993 -12.267 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.950 -13.941 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.411 -12.272 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.998 -13.030 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.045 -14.943 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.448 -14.239 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.691 -16.182 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.464 -14.799 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.012 -15.481 -9.221 1.00 0.00 H new ATOM 377 N ILE A 28 4.084 -9.312 -4.476 1.00 0.00 N ATOM 378 CA ILE A 28 3.948 -8.556 -3.242 1.00 0.00 C ATOM 379 C ILE A 28 2.465 -8.419 -2.894 1.00 0.00 C ATOM 380 O ILE A 28 1.679 -7.917 -3.697 1.00 0.00 O ATOM 381 CB ILE A 28 4.681 -7.218 -3.351 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.136 -7.422 -3.779 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.573 -6.426 -2.046 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.236 -7.657 -5.287 1.00 0.00 C ATOM 0 H ILE A 28 4.076 -8.747 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 28 4.421 -9.086 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 28 4.197 -6.626 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.726 -6.548 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.560 -8.273 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.103 -5.479 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.524 -6.232 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.016 -7.002 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.280 -7.799 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.665 -8.546 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.834 -6.794 -5.817 1.00 0.00 H new ATOM 396 N PRO A 29 2.117 -8.887 -1.665 1.00 0.00 N ATOM 397 CA PRO A 29 0.741 -8.821 -1.202 1.00 0.00 C ATOM 398 C PRO A 29 0.365 -7.392 -0.803 1.00 0.00 C ATOM 399 O PRO A 29 1.079 -6.750 -0.035 1.00 0.00 O ATOM 400 CB PRO A 29 0.671 -9.800 -0.041 1.00 0.00 C ATOM 401 CG PRO A 29 2.107 -10.029 0.399 1.00 0.00 C ATOM 402 CD PRO A 29 3.020 -9.488 -0.689 1.00 0.00 C ATOM 0 HA PRO A 29 0.022 -9.089 -1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.072 -9.396 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.202 -10.735 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.301 -9.525 1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.292 -11.091 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.719 -8.752 -0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.616 -10.283 -1.138 1.00 0.00 H new ATOM 410 N VAL A 30 -0.756 -6.937 -1.343 1.00 0.00 N ATOM 411 CA VAL A 30 -1.236 -5.597 -1.053 1.00 0.00 C ATOM 412 C VAL A 30 -2.585 -5.686 -0.337 1.00 0.00 C ATOM 413 O VAL A 30 -3.282 -6.694 -0.443 1.00 0.00 O ATOM 414 CB VAL A 30 -1.296 -4.773 -2.341 1.00 0.00 C ATOM 415 CG1 VAL A 30 -1.975 -3.423 -2.097 1.00 0.00 C ATOM 416 CG2 VAL A 30 0.100 -4.585 -2.938 1.00 0.00 C ATOM 0 H VAL A 30 -1.346 -7.473 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.547 -5.081 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.897 -5.325 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.005 -2.857 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.992 -3.586 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.413 -2.863 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.028 -3.996 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.736 -4.066 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.532 -5.559 -3.167 1.00 0.00 H new ATOM 426 N ALA A 31 -2.912 -4.619 0.377 1.00 0.00 N ATOM 427 CA ALA A 31 -4.165 -4.564 1.110 1.00 0.00 C ATOM 428 C ALA A 31 -4.841 -3.216 0.857 1.00 0.00 C ATOM 429 O ALA A 31 -4.280 -2.167 1.170 1.00 0.00 O ATOM 430 CB ALA A 31 -3.898 -4.812 2.596 1.00 0.00 C ATOM 0 H ALA A 31 -2.331 -3.785 0.463 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.845 -5.343 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.838 -4.771 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.445 -5.795 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.221 -4.047 2.977 1.00 0.00 H new ATOM 436 N ASP A 32 -6.037 -3.287 0.292 1.00 0.00 N ATOM 437 CA ASP A 32 -6.796 -2.084 -0.008 1.00 0.00 C ATOM 438 C ASP A 32 -7.653 -1.713 1.204 1.00 0.00 C ATOM 439 O ASP A 32 -8.484 -2.504 1.648 1.00 0.00 O ATOM 440 CB ASP A 32 -7.731 -2.305 -1.198 1.00 0.00 C ATOM 441 CG ASP A 32 -7.416 -1.459 -2.433 1.00 0.00 C ATOM 442 OD1 ASP A 32 -6.413 -0.715 -2.371 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.186 -1.574 -3.412 1.00 0.00 O ATOM 0 H ASP A 32 -6.500 -4.159 0.034 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.089 -1.290 -0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.695 -3.358 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.753 -2.094 -0.882 1.00 0.00 H new ATOM 448 N CYS A 33 -7.423 -0.508 1.705 1.00 0.00 N ATOM 449 CA CYS A 33 -8.163 -0.022 2.856 1.00 0.00 C ATOM 450 C CYS A 33 -8.649 1.397 2.551 1.00 0.00 C ATOM 451 O CYS A 33 -8.017 2.122 1.785 1.00 0.00 O ATOM 452 CB CYS A 33 -7.322 -0.074 4.133 1.00 0.00 C ATOM 453 SG CYS A 33 -5.638 0.558 3.799 1.00 0.00 S ATOM 0 H CYS A 33 -6.734 0.146 1.334 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.022 -0.668 3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.795 0.522 4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.268 -1.098 4.502 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.933 0.512 4.890 1.00 0.00 H new ATOM 459 N ARG A 34 -9.768 1.750 3.166 1.00 0.00 N ATOM 460 CA ARG A 34 -10.347 3.068 2.970 1.00 0.00 C ATOM 461 C ARG A 34 -10.158 3.923 4.225 1.00 0.00 C ATOM 462 O ARG A 34 -10.656 3.578 5.295 1.00 0.00 O ATOM 463 CB ARG A 34 -11.839 2.973 2.645 1.00 0.00 C ATOM 464 CG ARG A 34 -12.358 4.289 2.063 1.00 0.00 C ATOM 465 CD ARG A 34 -12.641 4.152 0.565 1.00 0.00 C ATOM 466 NE ARG A 34 -13.672 5.131 0.153 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.332 5.081 -1.012 1.00 0.00 C ATOM 468 NH1 ARG A 34 -14.073 4.101 -1.888 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.251 6.012 -1.302 1.00 0.00 N ATOM 0 H ARG A 34 -10.290 1.146 3.801 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.834 3.533 2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.009 2.165 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.397 2.726 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.268 4.587 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.624 5.078 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.725 4.315 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.979 3.140 0.341 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.894 5.891 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.373 3.392 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.576 4.064 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.448 6.759 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.753 5.974 -2.189 1.00 0.00 H new ATOM 483 N VAL A 35 -9.438 5.021 4.052 1.00 0.00 N ATOM 484 CA VAL A 35 -9.178 5.928 5.157 1.00 0.00 C ATOM 485 C VAL A 35 -10.507 6.364 5.777 1.00 0.00 C ATOM 486 O VAL A 35 -11.338 6.976 5.106 1.00 0.00 O ATOM 487 CB VAL A 35 -8.326 7.105 4.679 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.991 8.046 5.838 1.00 0.00 C ATOM 489 CG2 VAL A 35 -7.054 6.615 3.984 1.00 0.00 C ATOM 0 H VAL A 35 -9.026 5.304 3.163 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.605 5.426 5.937 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.910 7.667 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.385 8.874 5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.913 8.435 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.436 7.500 6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.467 7.472 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.465 6.018 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.323 6.005 3.121 1.00 0.00 H new ATOM 499 N GLN A 36 -10.667 6.033 7.049 1.00 0.00 N ATOM 500 CA GLN A 36 -11.881 6.383 7.767 1.00 0.00 C ATOM 501 C GLN A 36 -11.688 7.696 8.527 1.00 0.00 C ATOM 502 O GLN A 36 -12.596 8.524 8.583 1.00 0.00 O ATOM 503 CB GLN A 36 -12.302 5.258 8.715 1.00 0.00 C ATOM 504 CG GLN A 36 -12.710 4.007 7.934 1.00 0.00 C ATOM 505 CD GLN A 36 -14.224 3.796 7.988 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.926 4.357 8.814 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.687 2.958 7.065 1.00 0.00 N ATOM 0 H GLN A 36 -9.976 5.526 7.602 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.682 6.520 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.479 5.018 9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.134 5.592 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.389 4.101 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.203 3.135 8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.044 2.522 6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.685 2.751 7.019 1.00 0.00 H new ATOM 516 N LYS A 37 -10.500 7.846 9.094 1.00 0.00 N ATOM 517 CA LYS A 37 -10.177 9.045 9.848 1.00 0.00 C ATOM 518 C LYS A 37 -8.660 9.243 9.857 1.00 0.00 C ATOM 519 O LYS A 37 -7.908 8.297 10.084 1.00 0.00 O ATOM 520 CB LYS A 37 -10.797 8.983 11.245 1.00 0.00 C ATOM 521 CG LYS A 37 -12.325 8.987 11.168 1.00 0.00 C ATOM 522 CD LYS A 37 -12.942 9.300 12.533 1.00 0.00 C ATOM 523 CE LYS A 37 -13.940 10.455 12.431 1.00 0.00 C ATOM 524 NZ LYS A 37 -13.380 11.680 13.045 1.00 0.00 N ATOM 0 H LYS A 37 -9.749 7.157 9.046 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.611 9.924 9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.458 8.083 11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.457 9.834 11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.654 9.727 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.678 8.016 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.444 8.414 12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.155 9.556 13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.182 10.643 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.871 10.184 12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.070 12.454 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.172 11.501 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.504 11.946 12.552 1.00 0.00 H new ATOM 538 N GLY A 38 -8.255 10.480 9.606 1.00 0.00 N ATOM 539 CA GLY A 38 -6.841 10.814 9.582 1.00 0.00 C ATOM 540 C GLY A 38 -6.246 10.582 8.192 1.00 0.00 C ATOM 541 O GLY A 38 -6.950 10.678 7.188 1.00 0.00 O ATOM 0 H GLY A 38 -8.881 11.263 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.705 11.856 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.308 10.208 10.315 1.00 0.00 H new ATOM 545 N GLN A 39 -4.956 10.282 8.178 1.00 0.00 N ATOM 546 CA GLN A 39 -4.258 10.036 6.927 1.00 0.00 C ATOM 547 C GLN A 39 -3.217 8.930 7.109 1.00 0.00 C ATOM 548 O GLN A 39 -2.900 8.550 8.235 1.00 0.00 O ATOM 549 CB GLN A 39 -3.611 11.317 6.399 1.00 0.00 C ATOM 550 CG GLN A 39 -2.719 11.960 7.463 1.00 0.00 C ATOM 551 CD GLN A 39 -2.445 13.429 7.134 1.00 0.00 C ATOM 552 OE1 GLN A 39 -3.205 14.090 6.447 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.319 13.901 7.663 1.00 0.00 N ATOM 0 H GLN A 39 -4.375 10.204 9.013 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.986 9.704 6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.020 11.091 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.385 12.021 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.199 11.886 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.776 11.417 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.727 13.293 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.047 14.871 7.502 1.00 0.00 H new ATOM 562 N LEU A 40 -2.713 8.444 5.984 1.00 0.00 N ATOM 563 CA LEU A 40 -1.714 7.390 6.005 1.00 0.00 C ATOM 564 C LEU A 40 -0.421 7.905 5.371 1.00 0.00 C ATOM 565 O LEU A 40 -0.435 8.416 4.252 1.00 0.00 O ATOM 566 CB LEU A 40 -2.259 6.121 5.345 1.00 0.00 C ATOM 567 CG LEU A 40 -3.604 5.616 5.872 1.00 0.00 C ATOM 568 CD1 LEU A 40 -4.066 4.379 5.099 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.540 5.359 7.379 1.00 0.00 C ATOM 0 H LEU A 40 -2.978 8.761 5.052 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.477 7.111 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.356 6.305 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.522 5.327 5.466 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.349 6.395 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.024 4.040 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.176 4.629 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.328 3.585 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.508 5.001 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.778 4.608 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.288 6.285 7.896 1.00 0.00 H new ATOM 581 N GLU A 41 0.666 7.754 6.113 1.00 0.00 N ATOM 582 CA GLU A 41 1.965 8.198 5.637 1.00 0.00 C ATOM 583 C GLU A 41 2.726 7.031 5.005 1.00 0.00 C ATOM 584 O GLU A 41 2.238 5.902 4.990 1.00 0.00 O ATOM 585 CB GLU A 41 2.776 8.832 6.769 1.00 0.00 C ATOM 586 CG GLU A 41 2.294 10.254 7.060 1.00 0.00 C ATOM 587 CD GLU A 41 3.306 11.012 7.921 1.00 0.00 C ATOM 588 OE1 GLU A 41 4.300 11.494 7.336 1.00 0.00 O ATOM 589 OE2 GLU A 41 3.064 11.092 9.144 1.00 0.00 O ATOM 0 H GLU A 41 0.674 7.330 7.041 1.00 0.00 H new ATOM 0 HA GLU A 41 1.809 8.961 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.688 8.223 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.832 8.850 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.137 10.787 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.332 10.218 7.571 1.00 0.00 H new ATOM 596 N ARG A 42 3.910 7.344 4.497 1.00 0.00 N ATOM 597 CA ARG A 42 4.743 6.335 3.865 1.00 0.00 C ATOM 598 C ARG A 42 6.004 6.090 4.696 1.00 0.00 C ATOM 599 O ARG A 42 6.624 5.033 4.594 1.00 0.00 O ATOM 600 CB ARG A 42 5.146 6.761 2.452 1.00 0.00 C ATOM 601 CG ARG A 42 6.016 5.694 1.785 1.00 0.00 C ATOM 602 CD ARG A 42 5.413 5.249 0.451 1.00 0.00 C ATOM 603 NE ARG A 42 6.302 5.647 -0.664 1.00 0.00 N ATOM 604 CZ ARG A 42 7.475 5.059 -0.936 1.00 0.00 C ATOM 605 NH1 ARG A 42 7.908 4.044 -0.175 1.00 0.00 N ATOM 606 NH2 ARG A 42 8.215 5.486 -1.968 1.00 0.00 N ATOM 0 H ARG A 42 4.312 8.282 4.510 1.00 0.00 H new ATOM 0 HA ARG A 42 4.161 5.415 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.253 6.934 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.690 7.705 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.019 6.088 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.115 4.834 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.274 4.168 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.428 5.698 0.320 1.00 0.00 H new ATOM 0 HE ARG A 42 6.003 6.417 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.345 3.719 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.801 3.596 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.886 6.259 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.108 5.038 -2.175 1.00 0.00 H new ATOM 620 N HIS A 43 6.346 7.086 5.501 1.00 0.00 N ATOM 621 CA HIS A 43 7.521 6.992 6.349 1.00 0.00 C ATOM 622 C HIS A 43 7.095 6.991 7.819 1.00 0.00 C ATOM 623 O HIS A 43 7.703 7.669 8.646 1.00 0.00 O ATOM 624 CB HIS A 43 8.518 8.106 6.022 1.00 0.00 C ATOM 625 CG HIS A 43 9.505 7.748 4.937 1.00 0.00 C ATOM 626 ND1 HIS A 43 10.851 8.060 5.016 1.00 0.00 N ATOM 627 CD2 HIS A 43 9.328 7.102 3.749 1.00 0.00 C ATOM 628 CE1 HIS A 43 11.448 7.617 3.919 1.00 0.00 C ATOM 629 NE2 HIS A 43 10.502 7.024 3.135 1.00 0.00 N ATOM 0 H HIS A 43 5.829 7.962 5.583 1.00 0.00 H new ATOM 0 HA HIS A 43 8.038 6.052 6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.966 8.996 5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.067 8.365 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.391 6.719 3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.499 7.709 3.686 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.669 6.592 2.226 1.00 0.00 H new ATOM 637 N LYS A 44 6.054 6.221 8.099 1.00 0.00 N ATOM 638 CA LYS A 44 5.540 6.122 9.454 1.00 0.00 C ATOM 639 C LYS A 44 5.384 4.647 9.830 1.00 0.00 C ATOM 640 O LYS A 44 5.565 3.767 8.990 1.00 0.00 O ATOM 641 CB LYS A 44 4.250 6.932 9.598 1.00 0.00 C ATOM 642 CG LYS A 44 4.512 8.424 9.381 1.00 0.00 C ATOM 643 CD LYS A 44 5.349 9.005 10.523 1.00 0.00 C ATOM 644 CE LYS A 44 5.489 10.522 10.383 1.00 0.00 C ATOM 645 NZ LYS A 44 6.862 10.951 10.734 1.00 0.00 N ATOM 0 H LYS A 44 5.553 5.660 7.410 1.00 0.00 H new ATOM 0 HA LYS A 44 6.245 6.559 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.513 6.580 8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.826 6.774 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.030 8.572 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.564 8.957 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.883 8.766 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.337 8.544 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.258 10.822 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.769 11.021 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.940 11.983 10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.069 10.682 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.543 10.489 10.098 1.00 0.00 H new ATOM 659 N LYS A 45 5.051 4.423 11.092 1.00 0.00 N ATOM 660 CA LYS A 45 4.869 3.070 11.589 1.00 0.00 C ATOM 661 C LYS A 45 3.408 2.656 11.408 1.00 0.00 C ATOM 662 O LYS A 45 2.507 3.489 11.500 1.00 0.00 O ATOM 663 CB LYS A 45 5.365 2.958 13.032 1.00 0.00 C ATOM 664 CG LYS A 45 6.891 2.851 13.081 1.00 0.00 C ATOM 665 CD LYS A 45 7.547 4.161 12.643 1.00 0.00 C ATOM 666 CE LYS A 45 8.671 4.559 13.602 1.00 0.00 C ATOM 667 NZ LYS A 45 9.956 3.966 13.168 1.00 0.00 N ATOM 0 H LYS A 45 4.902 5.156 11.786 1.00 0.00 H new ATOM 0 HA LYS A 45 5.473 2.369 11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.040 3.829 13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.920 2.083 13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.209 2.602 14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.223 2.040 12.433 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.946 4.053 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.798 4.952 12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.759 5.645 13.639 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.432 4.224 14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.708 4.246 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.873 2.929 13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.190 4.306 12.213 1.00 0.00 H new ATOM 681 N PHE A 46 3.217 1.370 11.153 1.00 0.00 N ATOM 682 CA PHE A 46 1.880 0.836 10.958 1.00 0.00 C ATOM 683 C PHE A 46 1.769 -0.583 11.519 1.00 0.00 C ATOM 684 O PHE A 46 2.764 -1.164 11.949 1.00 0.00 O ATOM 685 CB PHE A 46 1.630 0.796 9.449 1.00 0.00 C ATOM 686 CG PHE A 46 1.633 2.172 8.781 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.795 2.869 8.664 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.473 2.699 8.304 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.797 4.147 8.044 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.475 3.976 7.683 1.00 0.00 C ATOM 691 CZ PHE A 46 1.637 4.673 7.566 1.00 0.00 C ATOM 0 H PHE A 46 3.966 0.682 11.077 1.00 0.00 H new ATOM 0 HA PHE A 46 1.151 1.460 11.475 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.394 0.175 8.981 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.670 0.315 9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.716 2.451 9.042 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.450 2.146 8.398 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.719 4.701 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.446 4.394 7.304 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.639 5.644 7.094 1.00 0.00 H new ATOM 701 N LYS A 47 0.549 -1.100 11.497 1.00 0.00 N ATOM 702 CA LYS A 47 0.295 -2.440 11.998 1.00 0.00 C ATOM 703 C LYS A 47 -1.063 -2.923 11.485 1.00 0.00 C ATOM 704 O LYS A 47 -1.956 -2.116 11.226 1.00 0.00 O ATOM 705 CB LYS A 47 0.424 -2.475 13.522 1.00 0.00 C ATOM 706 CG LYS A 47 -0.603 -1.551 14.181 1.00 0.00 C ATOM 707 CD LYS A 47 -1.066 -2.116 15.525 1.00 0.00 C ATOM 708 CE LYS A 47 -1.895 -1.087 16.296 1.00 0.00 C ATOM 709 NZ LYS A 47 -1.210 -0.703 17.550 1.00 0.00 N ATOM 0 H LYS A 47 -0.274 -0.615 11.140 1.00 0.00 H new ATOM 0 HA LYS A 47 1.044 -3.136 11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.283 -3.495 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.430 -2.172 13.812 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.167 -0.563 14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.461 -1.425 13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.658 -3.016 15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.200 -2.409 16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.056 -0.204 15.678 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.878 -1.500 16.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.787 -0.004 18.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.079 -1.545 18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.282 -0.289 17.326 1.00 0.00 H new ATOM 723 N LEU A 48 -1.177 -4.236 11.353 1.00 0.00 N ATOM 724 CA LEU A 48 -2.411 -4.836 10.875 1.00 0.00 C ATOM 725 C LEU A 48 -3.161 -5.459 12.054 1.00 0.00 C ATOM 726 O LEU A 48 -2.638 -6.345 12.728 1.00 0.00 O ATOM 727 CB LEU A 48 -2.124 -5.821 9.740 1.00 0.00 C ATOM 728 CG LEU A 48 -3.348 -6.404 9.031 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.987 -5.371 8.101 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.991 -7.696 8.294 1.00 0.00 C ATOM 0 H LEU A 48 -0.435 -4.902 11.569 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.063 -4.074 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.504 -5.318 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.535 -6.645 10.142 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.091 -6.659 9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.855 -5.811 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.300 -4.503 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.262 -5.061 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.879 -8.090 7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.222 -7.490 7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.618 -8.431 9.008 1.00 0.00 H new ATOM 742 N ILE A 49 -4.373 -4.970 12.268 1.00 0.00 N ATOM 743 CA ILE A 49 -5.200 -5.468 13.354 1.00 0.00 C ATOM 744 C ILE A 49 -6.378 -6.253 12.775 1.00 0.00 C ATOM 745 O ILE A 49 -7.277 -5.673 12.169 1.00 0.00 O ATOM 746 CB ILE A 49 -5.620 -4.321 14.277 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.398 -3.645 14.901 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.611 -4.805 15.337 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.573 -2.914 13.840 1.00 0.00 C ATOM 0 H ILE A 49 -4.803 -4.234 11.708 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.633 -6.158 13.978 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.133 -3.569 13.677 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.720 -2.939 15.666 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.779 -4.392 15.397 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.893 -3.971 15.979 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.500 -5.204 14.849 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.147 -5.586 15.939 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.710 -2.442 14.311 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.232 -3.627 13.089 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.188 -2.151 13.363 1.00 0.00 H new ATOM 761 N ARG A 50 -6.335 -7.561 12.981 1.00 0.00 N ATOM 762 CA ARG A 50 -7.387 -8.432 12.487 1.00 0.00 C ATOM 763 C ARG A 50 -8.029 -9.200 13.645 1.00 0.00 C ATOM 764 O ARG A 50 -7.372 -10.011 14.295 1.00 0.00 O ATOM 765 CB ARG A 50 -6.841 -9.430 11.463 1.00 0.00 C ATOM 766 CG ARG A 50 -7.978 -10.194 10.782 1.00 0.00 C ATOM 767 CD ARG A 50 -7.635 -10.502 9.323 1.00 0.00 C ATOM 768 NE ARG A 50 -6.758 -11.692 9.250 1.00 0.00 N ATOM 769 CZ ARG A 50 -5.424 -11.636 9.137 1.00 0.00 C ATOM 770 NH1 ARG A 50 -4.806 -10.448 9.084 1.00 0.00 N ATOM 771 NH2 ARG A 50 -4.709 -12.767 9.077 1.00 0.00 N ATOM 0 H ARG A 50 -5.587 -8.039 13.484 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.136 -7.805 12.003 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.253 -8.902 10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.170 -10.133 11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.169 -11.123 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.895 -9.606 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.549 -10.678 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.138 -9.645 8.869 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.196 -12.612 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.351 -9.587 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.791 -10.405 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.180 -13.671 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.694 -12.724 8.991 1.00 0.00 H new ATOM 785 N ASN A 51 -9.304 -8.916 13.866 1.00 0.00 N ATOM 786 CA ASN A 51 -10.041 -9.570 14.934 1.00 0.00 C ATOM 787 C ASN A 51 -9.653 -8.942 16.274 1.00 0.00 C ATOM 788 O ASN A 51 -10.055 -9.428 17.331 1.00 0.00 O ATOM 789 CB ASN A 51 -9.711 -11.062 14.998 1.00 0.00 C ATOM 790 CG ASN A 51 -10.974 -11.894 15.232 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.744 -11.657 16.149 1.00 0.00 O ATOM 792 ND2 ASN A 51 -11.144 -12.878 14.354 1.00 0.00 N ATOM 0 H ASN A 51 -9.845 -8.242 13.324 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.105 -9.445 14.735 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.234 -11.373 14.069 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.996 -11.246 15.800 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.957 -13.489 14.424 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.461 -13.021 13.610 1.00 0.00 H new ATOM 799 N GLY A 52 -8.877 -7.872 16.188 1.00 0.00 N ATOM 800 CA GLY A 52 -8.430 -7.173 17.380 1.00 0.00 C ATOM 801 C GLY A 52 -6.973 -7.511 17.701 1.00 0.00 C ATOM 802 O GLY A 52 -6.337 -6.832 18.506 1.00 0.00 O ATOM 0 H GLY A 52 -8.546 -7.472 15.310 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.534 -6.098 17.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.064 -7.444 18.224 1.00 0.00 H new ATOM 806 N GLN A 53 -6.486 -8.560 17.054 1.00 0.00 N ATOM 807 CA GLN A 53 -5.115 -8.996 17.260 1.00 0.00 C ATOM 808 C GLN A 53 -4.216 -8.468 16.140 1.00 0.00 C ATOM 809 O GLN A 53 -4.671 -8.272 15.014 1.00 0.00 O ATOM 810 CB GLN A 53 -5.034 -10.521 17.355 1.00 0.00 C ATOM 811 CG GLN A 53 -4.872 -11.149 15.969 1.00 0.00 C ATOM 812 CD GLN A 53 -5.228 -12.637 15.997 1.00 0.00 C ATOM 813 OE1 GLN A 53 -4.451 -13.480 16.413 1.00 0.00 O ATOM 814 NE2 GLN A 53 -6.444 -12.911 15.531 1.00 0.00 N ATOM 0 H GLN A 53 -7.016 -9.121 16.387 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.762 -8.586 18.206 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.193 -10.805 17.988 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.935 -10.908 17.830 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.512 -10.632 15.254 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.845 -11.023 15.627 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.044 -12.157 15.198 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.776 -13.875 15.507 1.00 0.00 H new ATOM 823 N VAL A 54 -2.956 -8.253 16.488 1.00 0.00 N ATOM 824 CA VAL A 54 -1.989 -7.751 15.526 1.00 0.00 C ATOM 825 C VAL A 54 -1.267 -8.931 14.873 1.00 0.00 C ATOM 826 O VAL A 54 -0.688 -9.769 15.564 1.00 0.00 O ATOM 827 CB VAL A 54 -1.035 -6.769 16.208 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.314 -6.725 15.486 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.656 -5.373 16.297 1.00 0.00 C ATOM 0 H VAL A 54 -2.582 -8.417 17.423 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.491 -7.198 14.732 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.860 -7.122 17.224 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.974 -6.019 15.991 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.766 -7.717 15.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.164 -6.407 14.454 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.957 -4.694 16.786 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.875 -5.008 15.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.579 -5.422 16.875 1.00 0.00 H new ATOM 839 N ILE A 55 -1.324 -8.960 13.550 1.00 0.00 N ATOM 840 CA ILE A 55 -0.682 -10.023 12.796 1.00 0.00 C ATOM 841 C ILE A 55 0.703 -9.557 12.342 1.00 0.00 C ATOM 842 O ILE A 55 1.640 -10.351 12.283 1.00 0.00 O ATOM 843 CB ILE A 55 -1.582 -10.484 11.647 1.00 0.00 C ATOM 844 CG1 ILE A 55 -2.270 -9.293 10.977 1.00 0.00 C ATOM 845 CG2 ILE A 55 -2.589 -11.532 12.127 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.644 -9.033 11.596 1.00 0.00 C ATOM 0 H ILE A 55 -1.805 -8.264 12.980 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.533 -10.900 13.426 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.956 -10.960 10.892 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.647 -8.404 11.079 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.379 -9.485 9.910 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.216 -11.843 11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.055 -12.396 12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.214 -11.104 12.911 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.111 -8.181 11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.272 -9.915 11.470 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.530 -8.817 12.658 1.00 0.00 H new ATOM 858 N TRP A 56 0.788 -8.271 12.034 1.00 0.00 N ATOM 859 CA TRP A 56 2.042 -7.690 11.588 1.00 0.00 C ATOM 860 C TRP A 56 2.219 -6.346 12.298 1.00 0.00 C ATOM 861 O TRP A 56 1.257 -5.599 12.468 1.00 0.00 O ATOM 862 CB TRP A 56 2.080 -7.571 10.063 1.00 0.00 C ATOM 863 CG TRP A 56 3.259 -6.753 9.532 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.432 -7.204 9.067 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.332 -5.316 9.429 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.253 -6.166 8.674 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.562 -4.982 8.900 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.389 -4.330 9.770 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.963 -3.661 8.667 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.805 -3.015 9.531 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.040 -2.662 9.000 1.00 0.00 C ATOM 0 H TRP A 56 0.008 -7.615 12.085 1.00 0.00 H new ATOM 0 HA TRP A 56 2.881 -8.335 11.850 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.121 -8.571 9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.151 -7.115 9.721 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.701 -8.248 9.007 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.193 -6.252 8.289 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.420 -4.569 10.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.932 -3.425 8.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.118 -2.219 9.776 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.287 -1.622 8.845 1.00 0.00 H new ATOM 882 N LYS A 57 3.456 -6.080 12.692 1.00 0.00 N ATOM 883 CA LYS A 57 3.771 -4.839 13.379 1.00 0.00 C ATOM 884 C LYS A 57 5.083 -4.276 12.829 1.00 0.00 C ATOM 885 O LYS A 57 6.038 -5.019 12.607 1.00 0.00 O ATOM 886 CB LYS A 57 3.781 -5.053 14.894 1.00 0.00 C ATOM 887 CG LYS A 57 5.011 -5.854 15.326 1.00 0.00 C ATOM 888 CD LYS A 57 5.308 -5.642 16.812 1.00 0.00 C ATOM 889 CE LYS A 57 4.576 -6.676 17.670 1.00 0.00 C ATOM 890 NZ LYS A 57 5.489 -7.779 18.044 1.00 0.00 N ATOM 0 H LYS A 57 4.251 -6.702 12.549 1.00 0.00 H new ATOM 0 HA LYS A 57 2.999 -4.093 13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.774 -4.088 15.401 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.875 -5.579 15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.846 -6.914 15.132 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.874 -5.552 14.732 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.382 -5.714 16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.004 -4.638 17.108 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.184 -6.200 18.569 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.722 -7.073 17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.976 -8.472 18.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.843 -8.244 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.291 -7.398 18.586 1.00 0.00 H new ATOM 904 N GLY A 58 5.089 -2.967 12.624 1.00 0.00 N ATOM 905 CA GLY A 58 6.268 -2.295 12.104 1.00 0.00 C ATOM 906 C GLY A 58 5.879 -1.099 11.233 1.00 0.00 C ATOM 907 O GLY A 58 5.001 -0.319 11.600 1.00 0.00 O ATOM 0 H GLY A 58 4.295 -2.353 12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.894 -1.959 12.931 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.863 -2.997 11.519 1.00 0.00 H new ATOM 911 N SER A 59 6.550 -0.993 10.096 1.00 0.00 N ATOM 912 CA SER A 59 6.285 0.095 9.170 1.00 0.00 C ATOM 913 C SER A 59 6.089 -0.457 7.757 1.00 0.00 C ATOM 914 O SER A 59 6.632 -1.507 7.415 1.00 0.00 O ATOM 915 CB SER A 59 7.421 1.121 9.186 1.00 0.00 C ATOM 916 OG SER A 59 8.700 0.500 9.278 1.00 0.00 O ATOM 0 H SER A 59 7.277 -1.642 9.795 1.00 0.00 H new ATOM 0 HA SER A 59 5.372 0.599 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.376 1.726 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.286 1.799 10.029 1.00 0.00 H new ATOM 0 HG SER A 59 9.398 1.188 9.284 1.00 0.00 H new ATOM 922 N LEU A 60 5.311 0.275 6.972 1.00 0.00 N ATOM 923 CA LEU A 60 5.036 -0.129 5.604 1.00 0.00 C ATOM 924 C LEU A 60 6.303 0.039 4.763 1.00 0.00 C ATOM 925 O LEU A 60 7.244 0.714 5.179 1.00 0.00 O ATOM 926 CB LEU A 60 3.827 0.631 5.054 1.00 0.00 C ATOM 927 CG LEU A 60 2.561 0.589 5.912 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.600 1.715 5.526 1.00 0.00 C ATOM 929 CD2 LEU A 60 1.894 -0.785 5.839 1.00 0.00 C ATOM 0 H LEU A 60 4.863 1.145 7.258 1.00 0.00 H new ATOM 0 HA LEU A 60 4.765 -1.184 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.112 1.674 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.588 0.230 4.069 1.00 0.00 H new ATOM 0 HG LEU A 60 2.847 0.752 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.708 1.663 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.090 2.678 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.316 1.608 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.997 -0.787 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.623 -1.003 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.586 -1.545 6.201 1.00 0.00 H new ATOM 941 N THR A 61 6.287 -0.586 3.595 1.00 0.00 N ATOM 942 CA THR A 61 7.423 -0.514 2.692 1.00 0.00 C ATOM 943 C THR A 61 7.089 0.363 1.483 1.00 0.00 C ATOM 944 O THR A 61 7.985 0.813 0.771 1.00 0.00 O ATOM 945 CB THR A 61 7.818 -1.943 2.315 1.00 0.00 C ATOM 946 OG1 THR A 61 6.646 -2.479 1.708 1.00 0.00 O ATOM 947 CG2 THR A 61 8.043 -2.831 3.540 1.00 0.00 C ATOM 0 H THR A 61 5.505 -1.145 3.253 1.00 0.00 H new ATOM 0 HA THR A 61 8.280 -0.040 3.171 1.00 0.00 H new ATOM 0 HB THR A 61 8.725 -1.921 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.815 -3.404 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.321 -3.834 3.216 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.843 -2.412 4.151 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.126 -2.880 4.127 1.00 0.00 H new ATOM 955 N SER A 62 5.796 0.580 1.289 1.00 0.00 N ATOM 956 CA SER A 62 5.332 1.395 0.179 1.00 0.00 C ATOM 957 C SER A 62 3.885 1.830 0.418 1.00 0.00 C ATOM 958 O SER A 62 3.182 1.237 1.235 1.00 0.00 O ATOM 959 CB SER A 62 5.447 0.638 -1.145 1.00 0.00 C ATOM 960 OG SER A 62 6.743 0.074 -1.328 1.00 0.00 O ATOM 0 H SER A 62 5.055 0.205 1.882 1.00 0.00 H new ATOM 0 HA SER A 62 5.965 2.280 0.117 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.699 -0.155 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.227 1.315 -1.970 1.00 0.00 H new ATOM 0 HG SER A 62 7.399 0.585 -0.809 1.00 0.00 H new ATOM 966 N LEU A 63 3.483 2.862 -0.309 1.00 0.00 N ATOM 967 CA LEU A 63 2.132 3.383 -0.186 1.00 0.00 C ATOM 968 C LEU A 63 1.809 4.242 -1.410 1.00 0.00 C ATOM 969 O LEU A 63 2.427 5.285 -1.623 1.00 0.00 O ATOM 970 CB LEU A 63 1.961 4.119 1.144 1.00 0.00 C ATOM 971 CG LEU A 63 0.664 4.914 1.309 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.497 3.995 1.695 1.00 0.00 C ATOM 973 CD2 LEU A 63 0.846 6.059 2.307 1.00 0.00 C ATOM 0 H LEU A 63 4.069 3.351 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 63 1.409 2.568 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.021 3.389 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.801 4.802 1.269 1.00 0.00 H new ATOM 0 HG LEU A 63 0.413 5.362 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.407 4.585 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.643 3.246 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.270 3.498 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.090 6.608 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.133 5.654 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.625 6.732 1.950 1.00 0.00 H new ATOM 985 N LYS A 64 0.841 3.773 -2.184 1.00 0.00 N ATOM 986 CA LYS A 64 0.428 4.485 -3.381 1.00 0.00 C ATOM 987 C LYS A 64 -1.086 4.706 -3.341 1.00 0.00 C ATOM 988 O LYS A 64 -1.797 4.022 -2.606 1.00 0.00 O ATOM 989 CB LYS A 64 0.910 3.751 -4.634 1.00 0.00 C ATOM 990 CG LYS A 64 2.411 3.468 -4.560 1.00 0.00 C ATOM 991 CD LYS A 64 3.003 3.279 -5.958 1.00 0.00 C ATOM 992 CE LYS A 64 3.803 1.978 -6.044 1.00 0.00 C ATOM 993 NZ LYS A 64 4.729 2.013 -7.198 1.00 0.00 N ATOM 0 H LYS A 64 0.331 2.908 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 64 0.893 5.470 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.365 2.814 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.693 4.351 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.916 4.292 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.587 2.573 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.202 3.267 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.648 4.123 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.366 1.829 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.123 1.132 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.264 1.122 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.185 2.133 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.390 2.809 -7.089 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.533 5.663 -4.141 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.949 5.982 -4.206 1.00 0.00 C ATOM 1009 C HIS A 65 -3.522 5.503 -5.542 1.00 0.00 C ATOM 1010 O HIS A 65 -4.410 4.651 -5.571 1.00 0.00 O ATOM 1011 CB HIS A 65 -3.182 7.474 -3.963 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.580 7.939 -4.291 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.700 7.153 -4.083 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -5.028 9.117 -4.813 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.768 7.837 -4.467 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.350 9.054 -4.919 1.00 0.00 N ATOM 0 H HIS A 65 -0.940 6.227 -4.749 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.480 5.457 -3.412 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.972 7.698 -2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.471 8.044 -4.561 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.703 6.208 -3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.412 9.959 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.790 7.491 -4.429 1.00 0.00 H new ATOM 1075 N ASP A 69 2.866 7.989 -7.041 1.00 0.00 N ATOM 1076 CA ASP A 69 3.587 7.543 -5.861 1.00 0.00 C ATOM 1077 C ASP A 69 3.445 8.590 -4.755 1.00 0.00 C ATOM 1078 O ASP A 69 4.340 9.410 -4.552 1.00 0.00 O ATOM 1079 CB ASP A 69 5.078 7.370 -6.160 1.00 0.00 C ATOM 1080 CG ASP A 69 5.397 6.750 -7.522 1.00 0.00 C ATOM 1081 OD1 ASP A 69 5.192 7.460 -8.530 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.839 5.581 -7.524 1.00 0.00 O ATOM 0 HA ASP A 69 3.167 6.586 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.561 8.345 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.519 6.747 -5.382 1.00 0.00 H new ATOM 1087 N ILE A 70 2.314 8.529 -4.068 1.00 0.00 N ATOM 1088 CA ILE A 70 2.043 9.462 -2.988 1.00 0.00 C ATOM 1089 C ILE A 70 2.555 8.874 -1.672 1.00 0.00 C ATOM 1090 O ILE A 70 2.829 7.678 -1.587 1.00 0.00 O ATOM 1091 CB ILE A 70 0.559 9.833 -2.960 1.00 0.00 C ATOM 1092 CG1 ILE A 70 0.314 11.049 -2.064 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.298 8.635 -2.546 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.004 11.739 -2.423 1.00 0.00 C ATOM 0 H ILE A 70 1.574 7.848 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 70 2.578 10.398 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 70 0.258 10.111 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.293 10.737 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.138 11.754 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.348 8.926 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.155 7.822 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.002 8.303 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.153 12.600 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.970 12.071 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.829 11.038 -2.293 1.00 0.00 H new ATOM 1106 N SER A 71 2.668 9.742 -0.677 1.00 0.00 N ATOM 1107 CA SER A 71 3.142 9.324 0.631 1.00 0.00 C ATOM 1108 C SER A 71 2.036 9.511 1.673 1.00 0.00 C ATOM 1109 O SER A 71 1.911 8.712 2.600 1.00 0.00 O ATOM 1110 CB SER A 71 4.393 10.105 1.039 1.00 0.00 C ATOM 1111 OG SER A 71 4.120 11.491 1.223 1.00 0.00 O ATOM 0 H SER A 71 2.439 10.733 -0.751 1.00 0.00 H new ATOM 0 HA SER A 71 3.407 8.268 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.795 9.689 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.161 9.985 0.275 1.00 0.00 H new ATOM 0 HG SER A 71 4.943 11.955 1.484 1.00 0.00 H new ATOM 1117 N VAL A 72 1.263 10.570 1.485 1.00 0.00 N ATOM 1118 CA VAL A 72 0.172 10.871 2.396 1.00 0.00 C ATOM 1119 C VAL A 72 -1.158 10.516 1.729 1.00 0.00 C ATOM 1120 O VAL A 72 -1.281 10.584 0.507 1.00 0.00 O ATOM 1121 CB VAL A 72 0.248 12.335 2.837 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.074 12.788 3.460 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.414 12.558 3.801 1.00 0.00 C ATOM 0 H VAL A 72 1.370 11.230 0.715 1.00 0.00 H new ATOM 0 HA VAL A 72 0.252 10.268 3.300 1.00 0.00 H new ATOM 0 HB VAL A 72 0.427 12.943 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.994 13.831 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.875 12.684 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.296 12.171 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.445 13.606 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.280 11.934 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.349 12.293 3.308 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.120 10.144 2.561 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.436 9.777 2.066 1.00 0.00 C ATOM 1135 C ILE A 73 -4.506 10.448 2.931 1.00 0.00 C ATOM 1136 O ILE A 73 -4.543 10.249 4.144 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.574 8.255 1.988 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.555 7.662 1.013 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -5.007 7.852 1.634 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.915 8.004 -0.434 1.00 0.00 C ATOM 0 H ILE A 73 -2.014 10.089 3.574 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.575 10.139 1.047 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.357 7.841 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.561 8.044 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.517 6.580 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.078 6.765 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.689 8.226 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.276 8.277 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.174 7.570 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.899 7.599 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.928 9.087 -0.559 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.349 11.229 2.272 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.417 11.930 2.965 1.00 0.00 C ATOM 1154 C LYS A 74 -7.565 10.957 3.240 1.00 0.00 C ATOM 1155 O LYS A 74 -7.501 9.791 2.856 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.839 13.173 2.180 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.658 14.128 1.988 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.848 14.991 0.739 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.499 15.386 0.135 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.426 14.973 -1.285 1.00 0.00 N ATOM 0 H LYS A 74 -5.314 11.392 1.266 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.069 12.295 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.234 12.877 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.643 13.685 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.557 14.768 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.734 13.557 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.435 14.444 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.413 15.888 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.360 16.464 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.691 14.919 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.504 15.249 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.537 13.941 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.185 15.439 -1.821 1.00 0.00 H new ATOM 1174 N THR A 75 -8.589 11.474 3.904 1.00 0.00 N ATOM 1175 CA THR A 75 -9.750 10.665 4.235 1.00 0.00 C ATOM 1176 C THR A 75 -10.660 10.514 3.015 1.00 0.00 C ATOM 1177 O THR A 75 -10.892 11.477 2.285 1.00 0.00 O ATOM 1178 CB THR A 75 -10.447 11.308 5.436 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.483 11.223 6.483 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.625 10.475 5.945 1.00 0.00 C ATOM 0 H THR A 75 -8.639 12.442 4.221 1.00 0.00 H new ATOM 0 HA THR A 75 -9.460 9.652 4.513 1.00 0.00 H new ATOM 0 HB THR A 75 -10.798 12.303 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.654 10.834 6.134 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.084 10.976 6.797 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.362 10.363 5.150 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.270 9.491 6.251 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.152 9.297 2.830 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.031 9.007 1.711 1.00 0.00 C ATOM 1190 C GLY A 76 -11.229 8.589 0.477 1.00 0.00 C ATOM 1191 O GLY A 76 -11.800 8.338 -0.583 1.00 0.00 O ATOM 0 H GLY A 76 -10.958 8.501 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.724 8.212 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.631 9.887 1.478 1.00 0.00 H new ATOM 1195 N MET A 77 -9.918 8.529 0.656 1.00 0.00 N ATOM 1196 CA MET A 77 -9.031 8.146 -0.430 1.00 0.00 C ATOM 1197 C MET A 77 -8.644 6.669 -0.326 1.00 0.00 C ATOM 1198 O MET A 77 -8.371 6.170 0.765 1.00 0.00 O ATOM 1199 CB MET A 77 -7.769 9.009 -0.387 1.00 0.00 C ATOM 1200 CG MET A 77 -8.043 10.410 -0.939 1.00 0.00 C ATOM 1201 SD MET A 77 -7.136 10.657 -2.456 1.00 0.00 S ATOM 1202 CE MET A 77 -5.470 10.417 -1.863 1.00 0.00 C ATOM 0 H MET A 77 -9.448 8.739 1.537 1.00 0.00 H new ATOM 0 HA MET A 77 -9.554 8.300 -1.374 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.409 9.083 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.979 8.533 -0.968 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.111 10.536 -1.119 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.752 11.162 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.780 11.002 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.403 10.740 -0.824 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.208 9.361 -1.932 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.631 6.012 -1.476 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.282 4.602 -1.529 1.00 0.00 C ATOM 1214 C ASP A 78 -6.787 4.463 -1.825 1.00 0.00 C ATOM 1215 O ASP A 78 -6.262 5.129 -2.716 1.00 0.00 O ATOM 1216 CB ASP A 78 -9.053 3.884 -2.638 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.462 4.420 -2.897 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -10.553 5.531 -3.463 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -11.418 3.706 -2.522 1.00 0.00 O ATOM 0 H ASP A 78 -8.857 6.430 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.536 4.155 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.479 3.953 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.124 2.826 -2.384 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.144 3.592 -1.061 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.720 3.357 -1.230 1.00 0.00 C ATOM 1226 C CYS A 79 -4.420 1.914 -0.820 1.00 0.00 C ATOM 1227 O CYS A 79 -5.193 1.299 -0.088 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.882 4.362 -0.437 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.346 4.305 1.332 1.00 0.00 S ATOM 0 H CYS A 79 -6.583 3.041 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.447 3.501 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.822 4.134 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.036 5.367 -0.830 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.477 3.592 1.986 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.294 1.415 -1.310 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.882 0.056 -1.003 1.00 0.00 C ATOM 1237 C GLY A 80 -1.481 0.033 -0.387 1.00 0.00 C ATOM 1238 O GLY A 80 -0.545 0.603 -0.945 1.00 0.00 O ATOM 0 H GLY A 80 -2.655 1.928 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.594 -0.396 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.893 -0.545 -1.912 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.383 -0.631 0.754 1.00 0.00 N ATOM 1243 CA LEU A 81 -0.112 -0.736 1.452 1.00 0.00 C ATOM 1244 C LEU A 81 0.337 -2.198 1.468 1.00 0.00 C ATOM 1245 O LEU A 81 -0.447 -3.095 1.164 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.212 -0.108 2.844 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.277 -0.697 3.771 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.778 -1.985 4.430 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.737 0.334 4.803 1.00 0.00 C ATOM 0 H LEU A 81 -2.162 -1.102 1.214 1.00 0.00 H new ATOM 0 HA LEU A 81 0.659 -0.171 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.758 -0.200 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.410 0.957 2.727 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.147 -0.959 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.554 -2.383 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.540 -2.719 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.116 -1.771 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.494 -0.111 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.886 0.650 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.160 1.198 4.291 1.00 0.00 H new ATOM 1261 N SER A 82 1.598 -2.392 1.825 1.00 0.00 N ATOM 1262 CA SER A 82 2.162 -3.730 1.884 1.00 0.00 C ATOM 1263 C SER A 82 3.192 -3.815 3.012 1.00 0.00 C ATOM 1264 O SER A 82 3.754 -2.800 3.421 1.00 0.00 O ATOM 1265 CB SER A 82 2.802 -4.118 0.550 1.00 0.00 C ATOM 1266 OG SER A 82 3.947 -3.323 0.256 1.00 0.00 O ATOM 0 H SER A 82 2.245 -1.645 2.076 1.00 0.00 H new ATOM 0 HA SER A 82 1.353 -4.433 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.088 -5.169 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.069 -4.008 -0.249 1.00 0.00 H new ATOM 0 HG SER A 82 4.328 -3.603 -0.603 1.00 0.00 H new ATOM 1272 N LEU A 83 3.409 -5.034 3.482 1.00 0.00 N ATOM 1273 CA LEU A 83 4.362 -5.264 4.555 1.00 0.00 C ATOM 1274 C LEU A 83 5.601 -5.962 3.989 1.00 0.00 C ATOM 1275 O LEU A 83 5.532 -6.606 2.944 1.00 0.00 O ATOM 1276 CB LEU A 83 3.700 -6.023 5.706 1.00 0.00 C ATOM 1277 CG LEU A 83 2.287 -5.574 6.081 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.635 -6.563 7.049 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.294 -4.149 6.638 1.00 0.00 C ATOM 0 H LEU A 83 2.941 -5.873 3.140 1.00 0.00 H new ATOM 0 HA LEU A 83 4.695 -4.317 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.666 -7.081 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.335 -5.932 6.587 1.00 0.00 H new ATOM 0 HG LEU A 83 1.681 -5.563 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.631 -6.219 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.576 -7.545 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.233 -6.630 7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.277 -3.854 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.921 -4.110 7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.689 -3.466 5.886 1.00 0.00 H new ATOM 1291 N ASP A 84 6.705 -5.811 4.706 1.00 0.00 N ATOM 1292 CA ASP A 84 7.957 -6.418 4.288 1.00 0.00 C ATOM 1293 C ASP A 84 7.872 -7.934 4.481 1.00 0.00 C ATOM 1294 O ASP A 84 8.664 -8.681 3.908 1.00 0.00 O ATOM 1295 CB ASP A 84 9.127 -5.900 5.126 1.00 0.00 C ATOM 1296 CG ASP A 84 9.007 -6.151 6.631 1.00 0.00 C ATOM 1297 OD1 ASP A 84 9.461 -7.232 7.064 1.00 0.00 O ATOM 1298 OD2 ASP A 84 8.463 -5.256 7.314 1.00 0.00 O ATOM 0 H ASP A 84 6.758 -5.277 5.574 1.00 0.00 H new ATOM 0 HA ASP A 84 8.123 -6.163 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.045 -6.366 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.227 -4.828 4.959 1.00 0.00 H new ATOM 1303 N GLU A 85 6.906 -8.342 5.291 1.00 0.00 N ATOM 1304 CA GLU A 85 6.708 -9.755 5.566 1.00 0.00 C ATOM 1305 C GLU A 85 5.493 -10.280 4.799 1.00 0.00 C ATOM 1306 O GLU A 85 4.443 -10.531 5.388 1.00 0.00 O ATOM 1307 CB GLU A 85 6.557 -10.005 7.068 1.00 0.00 C ATOM 1308 CG GLU A 85 7.136 -11.366 7.458 1.00 0.00 C ATOM 1309 CD GLU A 85 8.654 -11.286 7.635 1.00 0.00 C ATOM 1310 OE1 GLU A 85 9.112 -10.238 8.139 1.00 0.00 O ATOM 1311 OE2 GLU A 85 9.322 -12.275 7.263 1.00 0.00 O ATOM 0 H GLU A 85 6.252 -7.719 5.765 1.00 0.00 H new ATOM 0 HA GLU A 85 7.590 -10.298 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.065 -9.217 7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.503 -9.962 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.676 -11.709 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.894 -12.101 6.691 1.00 0.00 H new ATOM 1318 N GLU A 86 5.677 -10.432 3.495 1.00 0.00 N ATOM 1319 CA GLU A 86 4.609 -10.923 2.641 1.00 0.00 C ATOM 1320 C GLU A 86 3.836 -12.039 3.346 1.00 0.00 C ATOM 1321 O GLU A 86 2.645 -12.226 3.099 1.00 0.00 O ATOM 1322 CB GLU A 86 5.160 -11.403 1.297 1.00 0.00 C ATOM 1323 CG GLU A 86 6.172 -12.533 1.490 1.00 0.00 C ATOM 1324 CD GLU A 86 6.644 -13.084 0.143 1.00 0.00 C ATOM 1325 OE1 GLU A 86 7.414 -12.362 -0.526 1.00 0.00 O ATOM 1326 OE2 GLU A 86 6.224 -14.214 -0.187 1.00 0.00 O ATOM 0 H GLU A 86 6.550 -10.224 3.010 1.00 0.00 H new ATOM 0 HA GLU A 86 3.921 -10.101 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.340 -11.748 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.634 -10.571 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.028 -12.166 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.721 -13.334 2.076 1.00 0.00 H new ATOM 1333 N LYS A 87 4.543 -12.751 4.211 1.00 0.00 N ATOM 1334 CA LYS A 87 3.938 -13.843 4.954 1.00 0.00 C ATOM 1335 C LYS A 87 2.593 -13.384 5.521 1.00 0.00 C ATOM 1336 O LYS A 87 1.594 -14.094 5.412 1.00 0.00 O ATOM 1337 CB LYS A 87 4.905 -14.370 6.016 1.00 0.00 C ATOM 1338 CG LYS A 87 5.679 -15.584 5.498 1.00 0.00 C ATOM 1339 CD LYS A 87 6.024 -16.542 6.641 1.00 0.00 C ATOM 1340 CE LYS A 87 6.404 -17.923 6.103 1.00 0.00 C ATOM 1341 NZ LYS A 87 5.195 -18.753 5.905 1.00 0.00 N ATOM 0 H LYS A 87 5.530 -12.593 4.414 1.00 0.00 H new ATOM 0 HA LYS A 87 3.736 -14.687 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.604 -13.583 6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.351 -14.643 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.085 -16.106 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.594 -15.254 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.850 -16.135 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.172 -16.632 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.938 -17.817 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.082 -18.417 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.471 -19.687 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.701 -18.869 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.562 -18.288 5.223 1.00 0.00 H new ATOM 1355 N VAL A 88 2.610 -12.200 6.115 1.00 0.00 N ATOM 1356 CA VAL A 88 1.404 -11.638 6.699 1.00 0.00 C ATOM 1357 C VAL A 88 0.416 -11.292 5.584 1.00 0.00 C ATOM 1358 O VAL A 88 0.721 -10.483 4.708 1.00 0.00 O ATOM 1359 CB VAL A 88 1.759 -10.437 7.578 1.00 0.00 C ATOM 1360 CG1 VAL A 88 0.506 -9.838 8.219 1.00 0.00 C ATOM 1361 CG2 VAL A 88 2.789 -10.821 8.642 1.00 0.00 C ATOM 0 H VAL A 88 3.440 -11.614 6.205 1.00 0.00 H new ATOM 0 HA VAL A 88 0.919 -12.367 7.348 1.00 0.00 H new ATOM 0 HB VAL A 88 2.206 -9.675 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.786 -8.986 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.180 -9.509 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.018 -10.591 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.024 -9.949 9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.381 -11.609 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.697 -11.179 8.157 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.748 -11.921 5.652 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.783 -11.689 4.659 1.00 0.00 C ATOM 1373 C GLU A 89 -2.919 -10.858 5.259 1.00 0.00 C ATOM 1374 O GLU A 89 -3.318 -11.080 6.401 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.310 -13.011 4.097 1.00 0.00 C ATOM 1376 CG GLU A 89 -3.681 -12.822 3.444 1.00 0.00 C ATOM 1377 CD GLU A 89 -4.188 -14.135 2.844 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -3.329 -14.919 2.387 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -5.423 -14.325 2.857 1.00 0.00 O ATOM 0 H GLU A 89 -0.997 -12.591 6.379 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.346 -11.128 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.606 -13.405 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.383 -13.747 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.393 -12.457 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.615 -12.063 2.664 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.406 -9.917 4.463 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.487 -9.052 4.902 1.00 0.00 C ATOM 1388 C PHE A 90 -5.846 -9.613 4.477 1.00 0.00 C ATOM 1389 O PHE A 90 -5.959 -10.248 3.429 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.276 -7.695 4.227 1.00 0.00 C ATOM 1391 CG PHE A 90 -2.806 -7.321 4.029 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.137 -7.754 2.927 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.167 -6.556 4.955 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -0.772 -7.407 2.742 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -0.803 -6.209 4.771 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.134 -6.642 3.669 1.00 0.00 C ATOM 0 H PHE A 90 -3.072 -9.735 3.517 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.481 -8.972 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.772 -7.702 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.759 -6.923 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.644 -8.362 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.698 -6.213 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.241 -7.750 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.296 -5.601 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.904 -6.379 3.530 1.00 0.00 H new ATOM 1406 N LYS A 91 -6.843 -9.359 5.312 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.189 -9.831 5.036 1.00 0.00 C ATOM 1408 C LYS A 91 -9.176 -8.674 5.209 1.00 0.00 C ATOM 1409 O LYS A 91 -8.866 -7.683 5.869 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.515 -11.052 5.897 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.089 -12.345 5.198 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.284 -13.281 5.001 1.00 0.00 C ATOM 1413 CE LYS A 91 -9.268 -14.414 6.029 1.00 0.00 C ATOM 1414 NZ LYS A 91 -8.988 -15.709 5.371 1.00 0.00 N ATOM 0 H LYS A 91 -6.745 -8.832 6.180 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.271 -10.168 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.008 -10.970 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.585 -11.081 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.643 -12.110 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.323 -12.847 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.212 -12.716 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.262 -13.698 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.511 -14.214 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.229 -14.461 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.981 -16.466 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.725 -15.906 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.061 -15.667 4.902 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.375 -8.844 4.591 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.409 -7.826 4.670 1.00 0.00 C ATOM 1430 C PRO A 92 -12.079 -7.832 6.046 1.00 0.00 C ATOM 1431 O PRO A 92 -12.883 -8.714 6.345 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.371 -8.154 3.540 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.096 -9.600 3.164 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.776 -10.005 3.801 1.00 0.00 C ATOM 0 HA PRO A 92 -11.015 -6.816 4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.405 -8.023 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.213 -7.492 2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.902 -10.245 3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.047 -9.710 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.893 -10.889 4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.029 -10.247 3.045 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.722 -6.839 6.847 1.00 0.00 N ATOM 1443 CA GLY A 93 -12.279 -6.718 8.184 1.00 0.00 C ATOM 1444 C GLY A 93 -11.171 -6.563 9.227 1.00 0.00 C ATOM 1445 O GLY A 93 -11.253 -7.131 10.315 1.00 0.00 O ATOM 0 H GLY A 93 -11.054 -6.110 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.947 -5.858 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.879 -7.599 8.413 1.00 0.00 H new ATOM 1449 N ASP A 94 -10.159 -5.790 8.859 1.00 0.00 N ATOM 1450 CA ASP A 94 -9.036 -5.553 9.749 1.00 0.00 C ATOM 1451 C ASP A 94 -8.918 -4.052 10.026 1.00 0.00 C ATOM 1452 O ASP A 94 -9.835 -3.289 9.728 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.724 -6.022 9.118 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.813 -7.339 8.344 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.833 -8.037 8.529 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.859 -7.618 7.587 1.00 0.00 O ATOM 0 H ASP A 94 -10.094 -5.320 7.956 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.212 -6.110 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.365 -5.245 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.978 -6.130 9.905 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.781 -3.675 10.592 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.531 -2.280 10.911 1.00 0.00 C ATOM 1463 C GLN A 95 -6.058 -1.938 10.679 1.00 0.00 C ATOM 1464 O GLN A 95 -5.183 -2.779 10.879 1.00 0.00 O ATOM 1465 CB GLN A 95 -7.948 -1.964 12.349 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.379 -1.424 12.399 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.776 -1.057 13.831 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.142 -1.447 14.798 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -10.858 -0.288 13.911 1.00 0.00 N ATOM 0 H GLN A 95 -7.023 -4.311 10.838 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.136 -1.661 10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.874 -2.864 12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.264 -1.231 12.777 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.463 -0.546 11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.068 -2.172 12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.341 0.003 13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.205 0.011 14.822 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.830 -0.701 10.261 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.478 -0.238 10.000 1.00 0.00 C ATOM 1480 C VAL A 96 -4.258 1.102 10.705 1.00 0.00 C ATOM 1481 O VAL A 96 -4.667 2.147 10.203 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.231 -0.167 8.491 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.022 0.716 8.175 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.060 -1.566 7.898 1.00 0.00 C ATOM 0 H VAL A 96 -6.558 -0.006 10.097 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.749 -0.941 10.403 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.107 0.287 8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.868 0.750 7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.201 1.725 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.135 0.304 8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.886 -1.488 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.209 -2.059 8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.963 -2.150 8.077 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.611 1.028 11.859 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.331 2.221 12.639 1.00 0.00 C ATOM 1496 C ILE A 97 -1.973 2.791 12.222 1.00 0.00 C ATOM 1497 O ILE A 97 -0.972 2.077 12.219 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.440 1.922 14.135 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -4.828 1.384 14.488 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.072 3.151 14.969 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.922 2.353 14.033 1.00 0.00 C ATOM 0 H ILE A 97 -3.272 0.159 12.273 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.076 2.991 12.437 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.721 1.140 14.379 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.977 0.413 14.015 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.899 1.229 15.565 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.158 2.911 16.029 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.047 3.448 14.746 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.748 3.971 14.727 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.899 1.948 14.295 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.784 3.315 14.526 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.863 2.487 12.953 1.00 0.00 H new ATOM 1513 N CYS A 98 -1.984 4.071 11.882 1.00 0.00 N ATOM 1514 CA CYS A 98 -0.765 4.744 11.465 1.00 0.00 C ATOM 1515 C CYS A 98 -0.379 5.752 12.548 1.00 0.00 C ATOM 1516 O CYS A 98 -0.945 6.842 12.618 1.00 0.00 O ATOM 1517 CB CYS A 98 -0.927 5.410 10.097 1.00 0.00 C ATOM 1518 SG CYS A 98 0.534 6.450 9.730 1.00 0.00 S ATOM 0 H CYS A 98 -2.817 4.660 11.887 1.00 0.00 H new ATOM 0 HA CYS A 98 0.036 4.014 11.348 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.046 4.650 9.325 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.830 6.020 10.085 1.00 0.00 H new ATOM 0 HG CYS A 98 1.182 5.948 8.721 1.00 0.00 H new ATOM 1524 N TYR A 99 0.584 5.353 13.367 1.00 0.00 N ATOM 1525 CA TYR A 99 1.053 6.208 14.444 1.00 0.00 C ATOM 1526 C TYR A 99 2.494 6.660 14.197 1.00 0.00 C ATOM 1527 O TYR A 99 3.136 6.209 13.250 1.00 0.00 O ATOM 1528 CB TYR A 99 1.010 5.352 15.711 1.00 0.00 C ATOM 1529 CG TYR A 99 2.049 4.230 15.740 1.00 0.00 C ATOM 1530 CD1 TYR A 99 1.809 3.050 15.068 1.00 0.00 C ATOM 1531 CD2 TYR A 99 3.227 4.399 16.439 1.00 0.00 C ATOM 1532 CE1 TYR A 99 2.787 1.993 15.095 1.00 0.00 C ATOM 1533 CE2 TYR A 99 4.206 3.342 16.466 1.00 0.00 C ATOM 1534 CZ TYR A 99 3.937 2.192 15.793 1.00 0.00 C ATOM 1535 OH TYR A 99 4.861 1.194 15.819 1.00 0.00 O ATOM 0 H TYR A 99 1.052 4.449 13.306 1.00 0.00 H new ATOM 0 HA TYR A 99 0.434 7.102 14.522 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.162 5.996 16.577 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.016 4.915 15.808 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.887 2.918 14.521 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.415 5.323 16.966 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.611 1.064 14.573 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.132 3.461 17.009 1.00 0.00 H new ATOM 0 HH TYR A 99 5.632 1.476 16.354 1.00 0.00 H new