USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 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= -0.491 K(o=-1.2,f=-8.1!) USER MOD Set 1.2: A 77 MET CE :methyl -146:sc= -0.661 (180deg=-2.64!) USER MOD Single : A 14 SER OG : rot -170:sc= -1.24 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0032 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 170:sc=0.000894 USER MOD Single : A 36 GLN : amide:sc= 0.212 K(o=0.21,f=-5.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.037) USER MOD Single : A 43 HIS : no HD1:sc= -0.0515 X(o=-0.051,f=-0.25) 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+ -146:sc= 0.431 (180deg=0.128) USER MOD Single : A 51 ASN : amide:sc=-0.00235 X(o=-0.0023,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -131:sc= -0.885 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 62 SER OG : rot -35:sc= 0.491 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 21:sc= 0.417 USER MOD Single : A 79 CYS SG : rot -5:sc= -1.2 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 X(o=0,f=0) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.0382 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -4.114 7.397 18.120 1.00 0.00 N ATOM 88 CA PRO A 9 -3.968 7.036 16.720 1.00 0.00 C ATOM 89 C PRO A 9 -4.119 8.263 15.818 1.00 0.00 C ATOM 90 O PRO A 9 -5.138 8.950 15.864 1.00 0.00 O ATOM 91 CB PRO A 9 -5.034 5.982 16.472 1.00 0.00 C ATOM 92 CG PRO A 9 -6.036 6.127 17.606 1.00 0.00 C ATOM 93 CD PRO A 9 -5.400 6.992 18.682 1.00 0.00 C ATOM 0 HA PRO A 9 -2.978 6.644 16.488 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.514 6.132 15.505 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.600 4.982 16.460 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.958 6.583 17.245 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.301 5.149 18.009 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.021 7.857 18.913 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.269 6.436 19.611 1.00 0.00 H new ATOM 101 N ILE A 10 -3.089 8.501 15.020 1.00 0.00 N ATOM 102 CA ILE A 10 -3.094 9.633 14.109 1.00 0.00 C ATOM 103 C ILE A 10 -4.156 9.410 13.030 1.00 0.00 C ATOM 104 O ILE A 10 -4.942 10.308 12.733 1.00 0.00 O ATOM 105 CB ILE A 10 -1.691 9.877 13.549 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.709 10.234 14.667 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.717 10.939 12.448 1.00 0.00 C ATOM 108 CD1 ILE A 10 0.555 9.377 14.581 1.00 0.00 C ATOM 0 H ILE A 10 -2.245 7.929 14.985 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.364 10.546 14.639 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.339 8.951 13.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.443 11.289 14.599 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.187 10.088 15.636 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.707 11.093 12.067 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.364 10.606 11.636 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.098 11.876 12.855 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.236 9.651 15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.288 8.324 14.674 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.043 9.544 13.621 1.00 0.00 H new ATOM 120 N GLY A 11 -4.145 8.207 12.474 1.00 0.00 N ATOM 121 CA GLY A 11 -5.097 7.854 11.435 1.00 0.00 C ATOM 122 C GLY A 11 -5.375 6.350 11.434 1.00 0.00 C ATOM 123 O GLY A 11 -4.457 5.545 11.580 1.00 0.00 O ATOM 0 H GLY A 11 -3.492 7.465 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.028 8.399 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.708 8.156 10.463 1.00 0.00 H new ATOM 127 N GLU A 12 -6.647 6.015 11.268 1.00 0.00 N ATOM 128 CA GLU A 12 -7.057 4.622 11.247 1.00 0.00 C ATOM 129 C GLU A 12 -7.658 4.267 9.885 1.00 0.00 C ATOM 130 O GLU A 12 -8.639 4.874 9.458 1.00 0.00 O ATOM 131 CB GLU A 12 -8.045 4.323 12.376 1.00 0.00 C ATOM 132 CG GLU A 12 -7.417 4.608 13.742 1.00 0.00 C ATOM 133 CD GLU A 12 -7.809 5.999 14.246 1.00 0.00 C ATOM 134 OE1 GLU A 12 -7.685 6.949 13.444 1.00 0.00 O ATOM 135 OE2 GLU A 12 -8.224 6.080 15.423 1.00 0.00 O ATOM 0 H GLU A 12 -7.406 6.685 11.147 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.175 4.002 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.942 4.930 12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.356 3.280 12.325 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.739 3.853 14.459 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.332 4.536 13.670 1.00 0.00 H new ATOM 142 N ALA A 13 -7.045 3.285 9.241 1.00 0.00 N ATOM 143 CA ALA A 13 -7.507 2.842 7.937 1.00 0.00 C ATOM 144 C ALA A 13 -8.102 1.438 8.061 1.00 0.00 C ATOM 145 O ALA A 13 -7.700 0.664 8.929 1.00 0.00 O ATOM 146 CB ALA A 13 -6.349 2.898 6.938 1.00 0.00 C ATOM 0 H ALA A 13 -6.232 2.783 9.598 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.291 3.501 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.696 2.565 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.981 3.921 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.544 2.247 7.278 1.00 0.00 H new ATOM 152 N SER A 14 -9.049 1.151 7.180 1.00 0.00 N ATOM 153 CA SER A 14 -9.703 -0.147 7.181 1.00 0.00 C ATOM 154 C SER A 14 -9.587 -0.792 5.798 1.00 0.00 C ATOM 155 O SER A 14 -9.852 -0.148 4.784 1.00 0.00 O ATOM 156 CB SER A 14 -11.174 -0.023 7.586 1.00 0.00 C ATOM 157 OG SER A 14 -11.408 1.122 8.401 1.00 0.00 O ATOM 0 H SER A 14 -9.379 1.795 6.461 1.00 0.00 H new ATOM 0 HA SER A 14 -9.204 -0.780 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.793 0.037 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.479 -0.920 8.125 1.00 0.00 H new ATOM 0 HG SER A 14 -12.316 1.083 8.768 1.00 0.00 H new ATOM 163 N ILE A 15 -9.190 -2.056 5.802 1.00 0.00 N ATOM 164 CA ILE A 15 -9.034 -2.796 4.561 1.00 0.00 C ATOM 165 C ILE A 15 -10.415 -3.188 4.030 1.00 0.00 C ATOM 166 O ILE A 15 -11.161 -3.901 4.699 1.00 0.00 O ATOM 167 CB ILE A 15 -8.091 -3.984 4.760 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.644 -3.514 4.923 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.240 -4.998 3.624 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.751 -4.653 5.419 1.00 0.00 C ATOM 0 H ILE A 15 -8.972 -2.587 6.645 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.565 -2.171 3.801 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.370 -4.491 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.269 -3.142 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.605 -2.683 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.559 -5.833 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.265 -5.366 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.002 -4.518 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.728 -4.293 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.114 -5.007 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.774 -5.472 4.700 1.00 0.00 H new ATOM 182 N LEU A 16 -10.712 -2.705 2.833 1.00 0.00 N ATOM 183 CA LEU A 16 -11.989 -2.996 2.204 1.00 0.00 C ATOM 184 C LEU A 16 -11.830 -4.194 1.265 1.00 0.00 C ATOM 185 O LEU A 16 -12.741 -5.009 1.133 1.00 0.00 O ATOM 186 CB LEU A 16 -12.546 -1.747 1.519 1.00 0.00 C ATOM 187 CG LEU A 16 -12.354 -0.428 2.269 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.659 0.767 1.364 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.185 -0.401 3.553 1.00 0.00 C ATOM 0 H LEU A 16 -10.090 -2.114 2.282 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.728 -3.276 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.079 -1.656 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.613 -1.894 1.351 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.307 -0.351 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.515 1.692 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.989 0.753 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.691 0.708 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.030 0.548 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.241 -0.511 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.877 -1.220 4.203 1.00 0.00 H new ATOM 201 N ALA A 17 -10.665 -4.262 0.638 1.00 0.00 N ATOM 202 CA ALA A 17 -10.374 -5.346 -0.285 1.00 0.00 C ATOM 203 C ALA A 17 -8.896 -5.725 -0.170 1.00 0.00 C ATOM 204 O ALA A 17 -8.072 -4.909 0.241 1.00 0.00 O ATOM 205 CB ALA A 17 -10.759 -4.926 -1.704 1.00 0.00 C ATOM 0 H ALA A 17 -9.911 -3.584 0.751 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.962 -6.230 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.541 -5.739 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.824 -4.696 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.187 -4.043 -1.990 1.00 0.00 H new ATOM 211 N THR A 18 -8.605 -6.963 -0.541 1.00 0.00 N ATOM 212 CA THR A 18 -7.241 -7.461 -0.485 1.00 0.00 C ATOM 213 C THR A 18 -6.915 -8.267 -1.743 1.00 0.00 C ATOM 214 O THR A 18 -7.760 -9.004 -2.249 1.00 0.00 O ATOM 215 CB THR A 18 -7.083 -8.262 0.808 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.913 -9.404 0.613 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.701 -7.554 2.016 1.00 0.00 C ATOM 0 H THR A 18 -9.291 -7.637 -0.882 1.00 0.00 H new ATOM 0 HA THR A 18 -6.522 -6.642 -0.467 1.00 0.00 H new ATOM 0 HB THR A 18 -6.024 -8.442 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.868 -9.980 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.561 -8.166 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.216 -6.588 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.767 -7.403 1.843 1.00 0.00 H new ATOM 225 N PHE A 19 -5.687 -8.100 -2.213 1.00 0.00 N ATOM 226 CA PHE A 19 -5.239 -8.803 -3.403 1.00 0.00 C ATOM 227 C PHE A 19 -3.712 -8.877 -3.454 1.00 0.00 C ATOM 228 O PHE A 19 -3.032 -8.362 -2.567 1.00 0.00 O ATOM 229 CB PHE A 19 -5.740 -8.006 -4.609 1.00 0.00 C ATOM 230 CG PHE A 19 -5.273 -6.549 -4.629 1.00 0.00 C ATOM 231 CD1 PHE A 19 -3.976 -6.255 -4.916 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.154 -5.549 -4.360 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.543 -4.903 -4.935 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.720 -4.197 -4.379 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.424 -3.902 -4.666 1.00 0.00 C ATOM 0 H PHE A 19 -4.989 -7.488 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.625 -9.822 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.403 -8.497 -5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.830 -8.028 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.276 -7.050 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.183 -5.783 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.514 -4.669 -5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.420 -3.403 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.094 -2.874 -4.680 1.00 0.00 H new ATOM 245 N THR A 20 -3.217 -9.522 -4.500 1.00 0.00 N ATOM 246 CA THR A 20 -1.782 -9.669 -4.678 1.00 0.00 C ATOM 247 C THR A 20 -1.358 -9.139 -6.049 1.00 0.00 C ATOM 248 O THR A 20 -2.193 -8.955 -6.933 1.00 0.00 O ATOM 249 CB THR A 20 -1.428 -11.141 -4.459 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.325 -11.567 -3.437 1.00 0.00 O ATOM 251 CG2 THR A 20 -0.042 -11.324 -3.838 1.00 0.00 C ATOM 0 H THR A 20 -3.784 -9.949 -5.233 1.00 0.00 H new ATOM 0 HA THR A 20 -1.229 -9.075 -3.950 1.00 0.00 H new ATOM 0 HB THR A 20 -1.472 -11.669 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.165 -12.512 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.159 -12.387 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.712 -10.892 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.008 -10.823 -2.870 1.00 0.00 H new ATOM 259 N VAL A 21 -0.060 -8.909 -6.183 1.00 0.00 N ATOM 260 CA VAL A 21 0.486 -8.404 -7.431 1.00 0.00 C ATOM 261 C VAL A 21 1.809 -9.112 -7.728 1.00 0.00 C ATOM 262 O VAL A 21 2.450 -9.642 -6.822 1.00 0.00 O ATOM 263 CB VAL A 21 0.624 -6.881 -7.363 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.743 -6.202 -7.461 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.360 -6.454 -6.092 1.00 0.00 C ATOM 0 H VAL A 21 0.630 -9.063 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.190 -8.619 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 21 1.219 -6.559 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.617 -5.121 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.214 -6.468 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.374 -6.533 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.445 -5.368 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.804 -6.794 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.356 -6.896 -6.083 1.00 0.00 H new ATOM 275 N THR A 22 2.180 -9.097 -9.000 1.00 0.00 N ATOM 276 CA THR A 22 3.415 -9.731 -9.427 1.00 0.00 C ATOM 277 C THR A 22 4.460 -8.673 -9.787 1.00 0.00 C ATOM 278 O THR A 22 4.142 -7.673 -10.428 1.00 0.00 O ATOM 279 CB THR A 22 3.086 -10.677 -10.583 1.00 0.00 C ATOM 280 OG1 THR A 22 2.021 -11.480 -10.081 1.00 0.00 O ATOM 281 CG2 THR A 22 4.209 -11.678 -10.859 1.00 0.00 C ATOM 0 H THR A 22 1.646 -8.655 -9.749 1.00 0.00 H new ATOM 0 HA THR A 22 3.856 -10.319 -8.622 1.00 0.00 H new ATOM 0 HB THR A 22 2.890 -10.095 -11.484 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.743 -12.122 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.924 -12.325 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.121 -11.140 -11.116 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.383 -12.284 -9.970 1.00 0.00 H new ATOM 289 N GLU A 23 5.688 -8.930 -9.359 1.00 0.00 N ATOM 290 CA GLU A 23 6.782 -8.013 -9.628 1.00 0.00 C ATOM 291 C GLU A 23 8.010 -8.781 -10.119 1.00 0.00 C ATOM 292 O GLU A 23 8.757 -9.343 -9.319 1.00 0.00 O ATOM 293 CB GLU A 23 7.116 -7.180 -8.389 1.00 0.00 C ATOM 294 CG GLU A 23 5.882 -6.428 -7.884 1.00 0.00 C ATOM 295 CD GLU A 23 6.062 -4.916 -8.037 1.00 0.00 C ATOM 296 OE1 GLU A 23 6.930 -4.373 -7.320 1.00 0.00 O ATOM 297 OE2 GLU A 23 5.326 -4.338 -8.866 1.00 0.00 O ATOM 0 H GLU A 23 5.949 -9.761 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 23 6.469 -7.326 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.498 -7.830 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.907 -6.469 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.002 -6.751 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.706 -6.673 -6.837 1.00 0.00 H new ATOM 304 N GLY A 24 8.181 -8.782 -11.433 1.00 0.00 N ATOM 305 CA GLY A 24 9.306 -9.473 -12.041 1.00 0.00 C ATOM 306 C GLY A 24 9.035 -10.975 -12.147 1.00 0.00 C ATOM 307 O GLY A 24 9.192 -11.563 -13.216 1.00 0.00 O ATOM 0 H GLY A 24 7.559 -8.315 -12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.496 -9.063 -13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.205 -9.303 -11.449 1.00 0.00 H new ATOM 311 N LYS A 25 8.633 -11.552 -11.025 1.00 0.00 N ATOM 312 CA LYS A 25 8.338 -12.974 -10.979 1.00 0.00 C ATOM 313 C LYS A 25 7.660 -13.307 -9.648 1.00 0.00 C ATOM 314 O LYS A 25 6.691 -14.065 -9.614 1.00 0.00 O ATOM 315 CB LYS A 25 9.603 -13.792 -11.246 1.00 0.00 C ATOM 316 CG LYS A 25 9.519 -14.507 -12.596 1.00 0.00 C ATOM 317 CD LYS A 25 10.186 -15.883 -12.531 1.00 0.00 C ATOM 318 CE LYS A 25 10.213 -16.545 -13.910 1.00 0.00 C ATOM 319 NZ LYS A 25 11.603 -16.867 -14.303 1.00 0.00 N ATOM 0 H LYS A 25 8.504 -11.061 -10.140 1.00 0.00 H new ATOM 0 HA LYS A 25 7.638 -13.244 -11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.474 -13.137 -11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.741 -14.524 -10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.475 -14.619 -12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.001 -13.901 -13.363 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.203 -15.780 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.648 -16.519 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.613 -17.455 -13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.765 -15.880 -14.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.603 -17.316 -15.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.166 -15.993 -14.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.018 -17.519 -13.607 1.00 0.00 H new ATOM 333 N LYS A 26 8.196 -12.725 -8.586 1.00 0.00 N ATOM 334 CA LYS A 26 7.654 -12.951 -7.256 1.00 0.00 C ATOM 335 C LYS A 26 6.303 -12.243 -7.134 1.00 0.00 C ATOM 336 O LYS A 26 5.981 -11.368 -7.936 1.00 0.00 O ATOM 337 CB LYS A 26 8.666 -12.533 -6.188 1.00 0.00 C ATOM 338 CG LYS A 26 7.987 -12.359 -4.828 1.00 0.00 C ATOM 339 CD LYS A 26 9.002 -11.959 -3.755 1.00 0.00 C ATOM 340 CE LYS A 26 9.702 -10.650 -4.124 1.00 0.00 C ATOM 341 NZ LYS A 26 10.199 -9.967 -2.908 1.00 0.00 N ATOM 0 H LYS A 26 9.000 -12.098 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 26 7.473 -14.013 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.452 -13.284 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.145 -11.599 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.210 -11.598 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.496 -13.289 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.497 -11.848 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.742 -12.750 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.533 -10.853 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.010 -9.998 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.671 -9.080 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.400 -9.756 -2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.876 -10.584 -2.415 1.00 0.00 H new ATOM 355 N LYS A 27 5.548 -12.649 -6.123 1.00 0.00 N ATOM 356 CA LYS A 27 4.239 -12.065 -5.886 1.00 0.00 C ATOM 357 C LYS A 27 4.295 -11.193 -4.630 1.00 0.00 C ATOM 358 O LYS A 27 4.731 -11.648 -3.573 1.00 0.00 O ATOM 359 CB LYS A 27 3.168 -13.156 -5.830 1.00 0.00 C ATOM 360 CG LYS A 27 3.548 -14.247 -4.827 1.00 0.00 C ATOM 361 CD LYS A 27 2.359 -14.613 -3.937 1.00 0.00 C ATOM 362 CE LYS A 27 2.593 -14.160 -2.494 1.00 0.00 C ATOM 363 NZ LYS A 27 1.792 -14.978 -1.557 1.00 0.00 N ATOM 0 H LYS A 27 5.818 -13.375 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 27 3.956 -11.415 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.211 -12.717 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.039 -13.595 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.893 -15.132 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.378 -13.904 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.453 -14.148 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.200 -15.691 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.651 -14.245 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.325 -13.109 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.963 -14.657 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.782 -14.876 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.067 -15.977 -1.646 1.00 0.00 H new ATOM 377 N ILE A 28 3.847 -9.956 -4.787 1.00 0.00 N ATOM 378 CA ILE A 28 3.840 -9.017 -3.678 1.00 0.00 C ATOM 379 C ILE A 28 2.409 -8.854 -3.162 1.00 0.00 C ATOM 380 O ILE A 28 1.502 -8.530 -3.927 1.00 0.00 O ATOM 381 CB ILE A 28 4.499 -7.698 -4.090 1.00 0.00 C ATOM 382 CG1 ILE A 28 5.847 -7.948 -4.770 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.628 -6.753 -2.893 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.755 -8.808 -3.890 1.00 0.00 C ATOM 0 H ILE A 28 3.486 -9.582 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 28 4.436 -9.401 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 28 3.855 -7.208 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.689 -8.443 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.334 -6.996 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.099 -5.823 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.638 -6.538 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.239 -7.223 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.706 -8.970 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.931 -8.299 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.276 -9.769 -3.702 1.00 0.00 H new ATOM 396 N PRO A 29 2.247 -9.092 -1.833 1.00 0.00 N ATOM 397 CA PRO A 29 0.942 -8.975 -1.205 1.00 0.00 C ATOM 398 C PRO A 29 0.550 -7.507 -1.025 1.00 0.00 C ATOM 399 O PRO A 29 1.271 -6.741 -0.388 1.00 0.00 O ATOM 400 CB PRO A 29 1.071 -9.721 0.113 1.00 0.00 C ATOM 401 CG PRO A 29 2.563 -9.827 0.387 1.00 0.00 C ATOM 402 CD PRO A 29 3.299 -9.477 -0.896 1.00 0.00 C ATOM 0 HA PRO A 29 0.143 -9.401 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.563 -9.186 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.614 -10.709 0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.853 -9.149 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.821 -10.835 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.006 -8.663 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.870 -10.327 -1.269 1.00 0.00 H new ATOM 410 N VAL A 30 -0.593 -7.159 -1.599 1.00 0.00 N ATOM 411 CA VAL A 30 -1.090 -5.796 -1.510 1.00 0.00 C ATOM 412 C VAL A 30 -2.373 -5.779 -0.676 1.00 0.00 C ATOM 413 O VAL A 30 -3.043 -6.802 -0.541 1.00 0.00 O ATOM 414 CB VAL A 30 -1.281 -5.217 -2.913 1.00 0.00 C ATOM 415 CG1 VAL A 30 -1.974 -3.854 -2.853 1.00 0.00 C ATOM 416 CG2 VAL A 30 0.054 -5.121 -3.653 1.00 0.00 C ATOM 0 H VAL A 30 -1.189 -7.797 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.366 -5.157 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.925 -5.896 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.098 -3.464 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.952 -3.963 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.367 -3.162 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.110 -4.706 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.732 -4.473 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.493 -6.115 -3.742 1.00 0.00 H new ATOM 426 N ALA A 31 -2.676 -4.607 -0.139 1.00 0.00 N ATOM 427 CA ALA A 31 -3.867 -4.443 0.678 1.00 0.00 C ATOM 428 C ALA A 31 -4.472 -3.062 0.419 1.00 0.00 C ATOM 429 O ALA A 31 -3.799 -2.045 0.583 1.00 0.00 O ATOM 430 CB ALA A 31 -3.510 -4.657 2.150 1.00 0.00 C ATOM 0 H ALA A 31 -2.118 -3.761 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.619 -5.187 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.403 -4.534 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.113 -5.663 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.759 -3.927 2.452 1.00 0.00 H new ATOM 436 N ASP A 32 -5.735 -3.070 0.019 1.00 0.00 N ATOM 437 CA ASP A 32 -6.438 -1.830 -0.263 1.00 0.00 C ATOM 438 C ASP A 32 -7.278 -1.436 0.953 1.00 0.00 C ATOM 439 O ASP A 32 -8.159 -2.185 1.372 1.00 0.00 O ATOM 440 CB ASP A 32 -7.381 -1.991 -1.457 1.00 0.00 C ATOM 441 CG ASP A 32 -6.985 -1.199 -2.705 1.00 0.00 C ATOM 442 OD1 ASP A 32 -5.839 -0.700 -2.721 1.00 0.00 O ATOM 443 OD2 ASP A 32 -7.838 -1.110 -3.615 1.00 0.00 O ATOM 0 H ASP A 32 -6.290 -3.915 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.695 -1.066 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.435 -3.048 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.382 -1.686 -1.154 1.00 0.00 H new ATOM 448 N CYS A 33 -6.976 -0.261 1.486 1.00 0.00 N ATOM 449 CA CYS A 33 -7.692 0.241 2.646 1.00 0.00 C ATOM 450 C CYS A 33 -8.108 1.686 2.365 1.00 0.00 C ATOM 451 O CYS A 33 -7.420 2.404 1.640 1.00 0.00 O ATOM 452 CB CYS A 33 -6.856 0.125 3.922 1.00 0.00 C ATOM 453 SG CYS A 33 -5.135 0.654 3.592 1.00 0.00 S ATOM 0 H CYS A 33 -6.245 0.358 1.136 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.581 -0.365 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.290 0.742 4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.866 -0.904 4.281 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.490 0.757 4.716 1.00 0.00 H new ATOM 459 N ARG A 34 -9.231 2.071 2.954 1.00 0.00 N ATOM 460 CA ARG A 34 -9.746 3.418 2.777 1.00 0.00 C ATOM 461 C ARG A 34 -9.656 4.198 4.090 1.00 0.00 C ATOM 462 O ARG A 34 -10.235 3.793 5.097 1.00 0.00 O ATOM 463 CB ARG A 34 -11.201 3.393 2.304 1.00 0.00 C ATOM 464 CG ARG A 34 -11.691 4.802 1.966 1.00 0.00 C ATOM 465 CD ARG A 34 -12.720 5.286 2.991 1.00 0.00 C ATOM 466 NE ARG A 34 -13.753 6.107 2.322 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.837 6.599 2.937 1.00 0.00 C ATOM 468 NH1 ARG A 34 -15.037 6.354 4.240 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.722 7.334 2.251 1.00 0.00 N ATOM 0 H ARG A 34 -9.799 1.473 3.555 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.137 3.909 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.291 2.752 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.832 2.961 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.845 5.489 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.134 4.808 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.185 4.432 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.225 5.870 3.767 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.632 6.311 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.364 5.793 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.862 6.728 4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.571 7.520 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.547 7.708 2.720 1.00 0.00 H new ATOM 483 N VAL A 35 -8.926 5.302 4.036 1.00 0.00 N ATOM 484 CA VAL A 35 -8.753 6.142 5.209 1.00 0.00 C ATOM 485 C VAL A 35 -10.126 6.560 5.739 1.00 0.00 C ATOM 486 O VAL A 35 -10.822 7.357 5.110 1.00 0.00 O ATOM 487 CB VAL A 35 -7.854 7.334 4.871 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.774 8.310 6.047 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.460 6.866 4.450 1.00 0.00 C ATOM 0 H VAL A 35 -8.448 5.634 3.199 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.252 5.589 6.004 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.299 7.862 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.129 9.148 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.772 8.680 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.363 7.798 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.841 7.732 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.004 6.304 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.541 6.228 3.570 1.00 0.00 H new ATOM 499 N GLN A 36 -10.476 6.004 6.889 1.00 0.00 N ATOM 500 CA GLN A 36 -11.754 6.310 7.510 1.00 0.00 C ATOM 501 C GLN A 36 -11.633 7.559 8.385 1.00 0.00 C ATOM 502 O GLN A 36 -12.521 8.411 8.382 1.00 0.00 O ATOM 503 CB GLN A 36 -12.267 5.119 8.322 1.00 0.00 C ATOM 504 CG GLN A 36 -12.664 3.960 7.406 1.00 0.00 C ATOM 505 CD GLN A 36 -14.168 3.976 7.123 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.653 4.659 6.236 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.877 3.186 7.925 1.00 0.00 N ATOM 0 H GLN A 36 -9.897 5.343 7.407 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.480 6.511 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.495 4.789 9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.125 5.425 8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.113 4.028 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.388 3.013 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.408 2.640 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.889 3.126 7.817 1.00 0.00 H new ATOM 516 N LYS A 37 -10.529 7.628 9.113 1.00 0.00 N ATOM 517 CA LYS A 37 -10.281 8.760 9.991 1.00 0.00 C ATOM 518 C LYS A 37 -8.784 9.075 10.000 1.00 0.00 C ATOM 519 O LYS A 37 -7.956 8.171 10.101 1.00 0.00 O ATOM 520 CB LYS A 37 -10.862 8.495 11.382 1.00 0.00 C ATOM 521 CG LYS A 37 -12.389 8.415 11.333 1.00 0.00 C ATOM 522 CD LYS A 37 -12.956 7.929 12.668 1.00 0.00 C ATOM 523 CE LYS A 37 -14.301 7.227 12.469 1.00 0.00 C ATOM 524 NZ LYS A 37 -14.620 6.379 13.640 1.00 0.00 N ATOM 0 H LYS A 37 -9.796 6.919 9.114 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.792 9.649 9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.458 7.563 11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.558 9.289 12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.801 9.396 11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.696 7.738 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.251 7.245 13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.080 8.775 13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.087 7.968 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.269 6.615 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.536 5.909 13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.878 5.660 13.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.671 6.971 14.494 1.00 0.00 H new ATOM 538 N GLY A 38 -8.482 10.360 9.891 1.00 0.00 N ATOM 539 CA GLY A 38 -7.099 10.806 9.885 1.00 0.00 C ATOM 540 C GLY A 38 -6.479 10.651 8.495 1.00 0.00 C ATOM 541 O GLY A 38 -7.192 10.623 7.493 1.00 0.00 O ATOM 0 H GLY A 38 -9.171 11.107 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.048 11.850 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.524 10.230 10.610 1.00 0.00 H new ATOM 545 N GLN A 39 -5.158 10.555 8.478 1.00 0.00 N ATOM 546 CA GLN A 39 -4.434 10.404 7.227 1.00 0.00 C ATOM 547 C GLN A 39 -3.269 9.428 7.403 1.00 0.00 C ATOM 548 O GLN A 39 -2.889 9.106 8.528 1.00 0.00 O ATOM 549 CB GLN A 39 -3.943 11.758 6.711 1.00 0.00 C ATOM 550 CG GLN A 39 -3.211 12.531 7.810 1.00 0.00 C ATOM 551 CD GLN A 39 -2.741 13.895 7.301 1.00 0.00 C ATOM 552 OE1 GLN A 39 -3.494 14.665 6.727 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.458 14.150 7.541 1.00 0.00 N ATOM 0 H GLN A 39 -4.570 10.579 9.311 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.116 9.994 6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.277 11.608 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.790 12.343 6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.872 12.666 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.354 11.953 8.157 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.883 13.461 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.049 15.034 7.239 1.00 0.00 H new ATOM 562 N LEU A 40 -2.734 8.986 6.275 1.00 0.00 N ATOM 563 CA LEU A 40 -1.619 8.053 6.290 1.00 0.00 C ATOM 564 C LEU A 40 -0.401 8.712 5.640 1.00 0.00 C ATOM 565 O LEU A 40 -0.473 9.173 4.502 1.00 0.00 O ATOM 566 CB LEU A 40 -2.021 6.727 5.641 1.00 0.00 C ATOM 567 CG LEU A 40 -3.251 6.036 6.234 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.560 4.735 5.491 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.081 5.811 7.738 1.00 0.00 C ATOM 0 H LEU A 40 -3.051 9.256 5.344 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.341 7.808 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.204 6.905 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.176 6.042 5.708 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.110 6.694 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.438 4.264 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.754 4.953 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.708 4.060 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.969 5.319 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.208 5.183 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.945 6.771 8.236 1.00 0.00 H new ATOM 581 N GLU A 41 0.691 8.734 6.392 1.00 0.00 N ATOM 582 CA GLU A 41 1.923 9.329 5.903 1.00 0.00 C ATOM 583 C GLU A 41 2.974 8.244 5.657 1.00 0.00 C ATOM 584 O GLU A 41 3.063 7.278 6.413 1.00 0.00 O ATOM 585 CB GLU A 41 2.445 10.387 6.876 1.00 0.00 C ATOM 586 CG GLU A 41 3.222 11.478 6.135 1.00 0.00 C ATOM 587 CD GLU A 41 2.846 12.867 6.655 1.00 0.00 C ATOM 588 OE1 GLU A 41 1.653 13.047 6.983 1.00 0.00 O ATOM 589 OE2 GLU A 41 3.760 13.718 6.712 1.00 0.00 O ATOM 0 H GLU A 41 0.747 8.350 7.335 1.00 0.00 H new ATOM 0 HA GLU A 41 1.713 9.826 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.610 10.833 7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.090 9.917 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.293 11.316 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.013 11.417 5.067 1.00 0.00 H new ATOM 596 N ARG A 42 3.744 8.440 4.597 1.00 0.00 N ATOM 597 CA ARG A 42 4.786 7.491 4.243 1.00 0.00 C ATOM 598 C ARG A 42 6.033 7.727 5.097 1.00 0.00 C ATOM 599 O ARG A 42 7.065 8.162 4.589 1.00 0.00 O ATOM 600 CB ARG A 42 5.159 7.610 2.764 1.00 0.00 C ATOM 601 CG ARG A 42 6.319 6.676 2.414 1.00 0.00 C ATOM 602 CD ARG A 42 5.903 5.662 1.347 1.00 0.00 C ATOM 603 NE ARG A 42 6.954 5.558 0.310 1.00 0.00 N ATOM 604 CZ ARG A 42 7.120 6.444 -0.682 1.00 0.00 C ATOM 605 NH1 ARG A 42 6.306 7.504 -0.778 1.00 0.00 N ATOM 606 NH2 ARG A 42 8.101 6.270 -1.578 1.00 0.00 N ATOM 0 H ARG A 42 3.667 9.242 3.972 1.00 0.00 H new ATOM 0 HA ARG A 42 4.399 6.489 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.294 7.368 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.435 8.640 2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.166 7.261 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.651 6.151 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.735 4.687 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.961 5.967 0.892 1.00 0.00 H new ATOM 0 HE ARG A 42 7.591 4.763 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.559 7.637 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.433 8.178 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.721 5.463 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.228 6.944 -2.333 1.00 0.00 H new ATOM 620 N HIS A 43 5.896 7.430 6.381 1.00 0.00 N ATOM 621 CA HIS A 43 6.999 7.604 7.311 1.00 0.00 C ATOM 622 C HIS A 43 6.651 6.948 8.649 1.00 0.00 C ATOM 623 O HIS A 43 7.404 6.114 9.149 1.00 0.00 O ATOM 624 CB HIS A 43 7.361 9.084 7.454 1.00 0.00 C ATOM 625 CG HIS A 43 8.779 9.328 7.909 1.00 0.00 C ATOM 626 ND1 HIS A 43 9.878 8.790 7.262 1.00 0.00 N ATOM 627 CD2 HIS A 43 9.267 10.058 8.953 1.00 0.00 C ATOM 628 CE1 HIS A 43 10.972 9.185 7.897 1.00 0.00 C ATOM 629 NE2 HIS A 43 10.591 9.970 8.945 1.00 0.00 N ATOM 0 H HIS A 43 5.038 7.070 6.799 1.00 0.00 H new ATOM 0 HA HIS A 43 7.888 7.108 6.922 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.208 9.579 6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.677 9.548 8.165 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.676 10.614 9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.987 8.930 7.631 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.220 10.416 9.613 1.00 0.00 H new ATOM 637 N LYS A 44 5.510 7.348 9.189 1.00 0.00 N ATOM 638 CA LYS A 44 5.053 6.809 10.459 1.00 0.00 C ATOM 639 C LYS A 44 5.034 5.281 10.382 1.00 0.00 C ATOM 640 O LYS A 44 5.314 4.706 9.332 1.00 0.00 O ATOM 641 CB LYS A 44 3.706 7.422 10.847 1.00 0.00 C ATOM 642 CG LYS A 44 3.807 8.945 10.956 1.00 0.00 C ATOM 643 CD LYS A 44 4.836 9.352 12.013 1.00 0.00 C ATOM 644 CE LYS A 44 4.737 10.846 12.327 1.00 0.00 C ATOM 645 NZ LYS A 44 5.928 11.563 11.819 1.00 0.00 N ATOM 0 H LYS A 44 4.888 8.039 8.770 1.00 0.00 H new ATOM 0 HA LYS A 44 5.743 7.080 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.954 7.156 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.374 7.007 11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.087 9.365 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.833 9.360 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.676 8.774 12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.840 9.117 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.836 11.260 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.649 10.992 13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.844 12.576 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.783 11.179 12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.995 11.439 10.789 1.00 0.00 H new ATOM 659 N LYS A 45 4.702 4.668 11.509 1.00 0.00 N ATOM 660 CA LYS A 45 4.643 3.218 11.582 1.00 0.00 C ATOM 661 C LYS A 45 3.205 2.757 11.332 1.00 0.00 C ATOM 662 O LYS A 45 2.291 3.577 11.257 1.00 0.00 O ATOM 663 CB LYS A 45 5.225 2.725 12.908 1.00 0.00 C ATOM 664 CG LYS A 45 6.751 2.633 12.836 1.00 0.00 C ATOM 665 CD LYS A 45 7.219 1.182 12.967 1.00 0.00 C ATOM 666 CE LYS A 45 8.577 1.105 13.668 1.00 0.00 C ATOM 667 NZ LYS A 45 8.412 0.656 15.069 1.00 0.00 N ATOM 0 H LYS A 45 4.471 5.149 12.378 1.00 0.00 H new ATOM 0 HA LYS A 45 5.261 2.772 10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.935 3.403 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.809 1.747 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.100 3.047 11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.193 3.235 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.482 0.608 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.290 0.728 11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.230 0.415 13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.060 2.082 13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.343 0.609 15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.806 1.329 15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.971 -0.286 15.082 1.00 0.00 H new ATOM 681 N PHE A 46 3.051 1.447 11.211 1.00 0.00 N ATOM 682 CA PHE A 46 1.740 0.867 10.972 1.00 0.00 C ATOM 683 C PHE A 46 1.623 -0.512 11.623 1.00 0.00 C ATOM 684 O PHE A 46 2.600 -1.034 12.160 1.00 0.00 O ATOM 685 CB PHE A 46 1.587 0.717 9.457 1.00 0.00 C ATOM 686 CG PHE A 46 1.719 2.032 8.685 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.948 2.577 8.475 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.609 2.655 8.209 1.00 0.00 C ATOM 689 CE1 PHE A 46 3.070 3.797 7.759 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.731 3.875 7.492 1.00 0.00 C ATOM 691 CZ PHE A 46 1.959 4.420 7.283 1.00 0.00 C ATOM 0 H PHE A 46 3.812 0.771 11.274 1.00 0.00 H new ATOM 0 HA PHE A 46 0.967 1.507 11.398 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.339 0.017 9.094 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.613 0.278 9.242 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.830 2.082 8.853 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.366 2.222 8.376 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.045 4.230 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.151 4.370 7.113 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.052 5.348 6.739 1.00 0.00 H new ATOM 701 N LYS A 47 0.421 -1.064 11.555 1.00 0.00 N ATOM 702 CA LYS A 47 0.164 -2.373 12.131 1.00 0.00 C ATOM 703 C LYS A 47 -1.123 -2.945 11.533 1.00 0.00 C ATOM 704 O LYS A 47 -2.065 -2.204 11.255 1.00 0.00 O ATOM 705 CB LYS A 47 0.149 -2.292 13.659 1.00 0.00 C ATOM 706 CG LYS A 47 -0.680 -1.099 14.137 1.00 0.00 C ATOM 707 CD LYS A 47 -0.819 -1.103 15.661 1.00 0.00 C ATOM 708 CE LYS A 47 -1.261 0.269 16.175 1.00 0.00 C ATOM 709 NZ LYS A 47 -0.567 0.596 17.440 1.00 0.00 N ATOM 0 H LYS A 47 -0.387 -0.628 11.109 1.00 0.00 H new ATOM 0 HA LYS A 47 0.968 -3.065 11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.262 -3.213 14.071 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.169 -2.203 14.032 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.208 -0.171 13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.668 -1.131 13.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.545 -1.859 15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.133 -1.376 16.116 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.044 1.031 15.427 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.339 0.275 16.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.202 1.147 18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.296 -0.283 17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.285 1.155 17.234 1.00 0.00 H new ATOM 723 N LEU A 48 -1.122 -4.257 11.354 1.00 0.00 N ATOM 724 CA LEU A 48 -2.278 -4.937 10.794 1.00 0.00 C ATOM 725 C LEU A 48 -3.031 -5.659 11.914 1.00 0.00 C ATOM 726 O LEU A 48 -2.520 -6.617 12.493 1.00 0.00 O ATOM 727 CB LEU A 48 -1.856 -5.855 9.646 1.00 0.00 C ATOM 728 CG LEU A 48 -2.991 -6.445 8.807 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.528 -5.417 7.809 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.548 -7.737 8.116 1.00 0.00 C ATOM 0 H LEU A 48 -0.339 -4.868 11.587 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.969 -4.216 10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.195 -5.296 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.272 -6.677 10.060 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.812 -6.702 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.334 -5.863 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.908 -4.550 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.726 -5.105 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.373 -8.136 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.702 -7.528 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.253 -8.469 8.868 1.00 0.00 H new ATOM 742 N ILE A 49 -4.233 -5.173 12.185 1.00 0.00 N ATOM 743 CA ILE A 49 -5.061 -5.760 13.224 1.00 0.00 C ATOM 744 C ILE A 49 -6.138 -6.635 12.579 1.00 0.00 C ATOM 745 O ILE A 49 -6.943 -6.151 11.785 1.00 0.00 O ATOM 746 CB ILE A 49 -5.622 -4.671 14.141 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.502 -3.983 14.924 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.704 -5.235 15.064 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.642 -3.115 14.004 1.00 0.00 C ATOM 0 H ILE A 49 -4.654 -4.379 11.703 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.464 -6.409 13.865 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.094 -3.911 13.519 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.931 -3.367 15.714 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.878 -4.734 15.409 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.086 -4.440 15.705 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.519 -5.640 14.464 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.279 -6.027 15.681 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.854 -2.638 14.586 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.195 -3.738 13.230 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.264 -2.350 13.540 1.00 0.00 H new ATOM 761 N ARG A 50 -6.117 -7.909 12.944 1.00 0.00 N ATOM 762 CA ARG A 50 -7.081 -8.856 12.411 1.00 0.00 C ATOM 763 C ARG A 50 -7.803 -9.577 13.551 1.00 0.00 C ATOM 764 O ARG A 50 -7.197 -10.370 14.271 1.00 0.00 O ATOM 765 CB ARG A 50 -6.399 -9.890 11.513 1.00 0.00 C ATOM 766 CG ARG A 50 -7.431 -10.692 10.718 1.00 0.00 C ATOM 767 CD ARG A 50 -6.836 -12.011 10.221 1.00 0.00 C ATOM 768 NE ARG A 50 -6.335 -11.851 8.838 1.00 0.00 N ATOM 769 CZ ARG A 50 -5.943 -12.868 8.059 1.00 0.00 C ATOM 770 NH1 ARG A 50 -5.991 -14.124 8.522 1.00 0.00 N ATOM 771 NH2 ARG A 50 -5.502 -12.628 6.816 1.00 0.00 N ATOM 0 H ARG A 50 -5.447 -8.307 13.602 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.803 -8.295 11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.717 -9.388 10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.798 -10.566 12.122 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.300 -10.894 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.779 -10.103 9.869 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.023 -12.323 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.592 -12.796 10.254 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.285 -10.907 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.326 -14.306 9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.692 -14.898 7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.465 -11.671 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.203 -13.402 6.222 1.00 0.00 H new ATOM 785 N ASN A 51 -9.087 -9.277 13.681 1.00 0.00 N ATOM 786 CA ASN A 51 -9.897 -9.887 14.721 1.00 0.00 C ATOM 787 C ASN A 51 -9.622 -9.186 16.053 1.00 0.00 C ATOM 788 O ASN A 51 -10.182 -9.559 17.083 1.00 0.00 O ATOM 789 CB ASN A 51 -9.555 -11.369 14.888 1.00 0.00 C ATOM 790 CG ASN A 51 -10.769 -12.161 15.375 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.689 -12.457 14.631 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.722 -12.486 16.664 1.00 0.00 N ATOM 0 H ASN A 51 -9.586 -8.619 13.083 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.944 -9.788 14.434 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.209 -11.775 13.938 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.736 -11.479 15.599 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.486 -13.014 17.085 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.922 -12.207 17.231 1.00 0.00 H new ATOM 799 N GLY A 52 -8.760 -8.182 15.990 1.00 0.00 N ATOM 800 CA GLY A 52 -8.404 -7.425 17.178 1.00 0.00 C ATOM 801 C GLY A 52 -6.946 -7.674 17.571 1.00 0.00 C ATOM 802 O GLY A 52 -6.382 -6.936 18.377 1.00 0.00 O ATOM 0 H GLY A 52 -8.297 -7.875 15.134 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.559 -6.362 16.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.060 -7.706 18.002 1.00 0.00 H new ATOM 806 N GLN A 53 -6.379 -8.717 16.983 1.00 0.00 N ATOM 807 CA GLN A 53 -4.998 -9.074 17.261 1.00 0.00 C ATOM 808 C GLN A 53 -4.083 -8.562 16.148 1.00 0.00 C ATOM 809 O GLN A 53 -4.491 -8.485 14.990 1.00 0.00 O ATOM 810 CB GLN A 53 -4.848 -10.585 17.443 1.00 0.00 C ATOM 811 CG GLN A 53 -4.692 -11.287 16.092 1.00 0.00 C ATOM 812 CD GLN A 53 -5.054 -12.770 16.200 1.00 0.00 C ATOM 813 OE1 GLN A 53 -5.893 -13.175 16.987 1.00 0.00 O ATOM 814 NE2 GLN A 53 -4.377 -13.554 15.366 1.00 0.00 N ATOM 0 H GLN A 53 -6.851 -9.327 16.315 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.702 -8.598 18.196 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.980 -10.795 18.068 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.720 -10.981 17.964 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.332 -10.806 15.352 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.665 -11.184 15.741 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.688 -13.150 14.732 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.547 -14.560 15.360 1.00 0.00 H new ATOM 823 N VAL A 54 -2.862 -8.224 16.537 1.00 0.00 N ATOM 824 CA VAL A 54 -1.885 -7.721 15.586 1.00 0.00 C ATOM 825 C VAL A 54 -1.149 -8.900 14.946 1.00 0.00 C ATOM 826 O VAL A 54 -0.784 -9.854 15.631 1.00 0.00 O ATOM 827 CB VAL A 54 -0.944 -6.732 16.275 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.356 -6.570 15.485 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.629 -5.380 16.488 1.00 0.00 C ATOM 0 H VAL A 54 -2.527 -8.289 17.498 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.380 -7.173 14.785 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.692 -7.137 17.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.007 -5.861 15.997 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.858 -7.534 15.409 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.130 -6.199 14.485 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.938 -4.695 16.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.925 -4.966 15.524 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.512 -5.514 17.112 1.00 0.00 H new ATOM 839 N ILE A 55 -0.953 -8.795 13.640 1.00 0.00 N ATOM 840 CA ILE A 55 -0.267 -9.841 12.900 1.00 0.00 C ATOM 841 C ILE A 55 1.084 -9.313 12.413 1.00 0.00 C ATOM 842 O ILE A 55 2.089 -10.019 12.476 1.00 0.00 O ATOM 843 CB ILE A 55 -1.159 -10.377 11.778 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.981 -9.251 11.147 1.00 0.00 C ATOM 845 CG2 ILE A 55 -2.042 -11.521 12.278 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.313 -9.069 11.879 1.00 0.00 C ATOM 0 H ILE A 55 -1.257 -8.002 13.075 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.062 -10.694 13.547 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.518 -10.785 10.997 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.414 -8.320 11.178 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.167 -9.476 10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.666 -11.883 11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.413 -12.333 12.642 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.677 -11.163 13.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.878 -8.263 11.411 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.887 -9.994 11.825 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.123 -8.820 12.923 1.00 0.00 H new ATOM 858 N TRP A 56 1.064 -8.076 11.939 1.00 0.00 N ATOM 859 CA TRP A 56 2.275 -7.446 11.441 1.00 0.00 C ATOM 860 C TRP A 56 2.376 -6.055 12.070 1.00 0.00 C ATOM 861 O TRP A 56 1.377 -5.345 12.180 1.00 0.00 O ATOM 862 CB TRP A 56 2.287 -7.412 9.912 1.00 0.00 C ATOM 863 CG TRP A 56 3.423 -6.578 9.317 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.604 -7.007 8.849 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.439 -5.146 9.143 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.376 -5.960 8.389 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.645 -4.792 8.573 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.466 -4.181 9.456 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.990 -3.470 8.267 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.826 -2.864 9.145 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.036 -2.492 8.571 1.00 0.00 C ATOM 0 H TRP A 56 0.228 -7.493 11.889 1.00 0.00 H new ATOM 0 HA TRP A 56 3.155 -8.023 11.726 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.364 -8.432 9.537 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.335 -7.014 9.560 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.912 -8.042 8.834 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.311 -6.030 7.988 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.516 -4.435 9.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.941 -3.219 7.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.114 -2.083 9.367 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.239 -1.452 8.360 1.00 0.00 H new ATOM 882 N LYS A 57 3.591 -5.707 12.467 1.00 0.00 N ATOM 883 CA LYS A 57 3.836 -4.413 13.082 1.00 0.00 C ATOM 884 C LYS A 57 5.126 -3.819 12.515 1.00 0.00 C ATOM 885 O LYS A 57 6.119 -4.526 12.350 1.00 0.00 O ATOM 886 CB LYS A 57 3.834 -4.536 14.608 1.00 0.00 C ATOM 887 CG LYS A 57 2.910 -3.494 15.241 1.00 0.00 C ATOM 888 CD LYS A 57 3.238 -3.298 16.722 1.00 0.00 C ATOM 889 CE LYS A 57 2.071 -3.744 17.606 1.00 0.00 C ATOM 890 NZ LYS A 57 1.984 -2.896 18.816 1.00 0.00 N ATOM 0 H LYS A 57 4.417 -6.299 12.375 1.00 0.00 H new ATOM 0 HA LYS A 57 3.032 -3.718 12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.510 -5.536 14.895 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.847 -4.407 14.988 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.011 -2.545 14.714 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.872 -3.810 15.133 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.131 -3.867 16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.463 -2.249 16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.138 -3.684 17.045 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.203 -4.787 17.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.187 -3.212 19.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.868 -2.974 19.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.836 -1.905 18.536 1.00 0.00 H new ATOM 904 N GLY A 58 5.070 -2.526 12.231 1.00 0.00 N ATOM 905 CA GLY A 58 6.223 -1.829 11.686 1.00 0.00 C ATOM 906 C GLY A 58 5.793 -0.785 10.653 1.00 0.00 C ATOM 907 O GLY A 58 4.627 -0.397 10.605 1.00 0.00 O ATOM 0 H GLY A 58 4.244 -1.943 12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.774 -1.344 12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.901 -2.546 11.223 1.00 0.00 H new ATOM 911 N SER A 59 6.759 -0.360 9.852 1.00 0.00 N ATOM 912 CA SER A 59 6.496 0.631 8.822 1.00 0.00 C ATOM 913 C SER A 59 6.302 -0.057 7.470 1.00 0.00 C ATOM 914 O SER A 59 6.784 -1.170 7.261 1.00 0.00 O ATOM 915 CB SER A 59 7.631 1.654 8.740 1.00 0.00 C ATOM 916 OG SER A 59 7.990 2.159 10.023 1.00 0.00 O ATOM 0 H SER A 59 7.725 -0.684 9.895 1.00 0.00 H new ATOM 0 HA SER A 59 5.582 1.163 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.502 1.192 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.328 2.480 8.097 1.00 0.00 H new ATOM 0 HG SER A 59 8.030 3.138 9.990 1.00 0.00 H new ATOM 922 N LEU A 60 5.596 0.632 6.586 1.00 0.00 N ATOM 923 CA LEU A 60 5.333 0.101 5.260 1.00 0.00 C ATOM 924 C LEU A 60 6.543 0.361 4.362 1.00 0.00 C ATOM 925 O LEU A 60 7.366 1.227 4.657 1.00 0.00 O ATOM 926 CB LEU A 60 4.023 0.667 4.706 1.00 0.00 C ATOM 927 CG LEU A 60 2.805 0.560 5.625 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.749 1.605 5.259 1.00 0.00 C ATOM 929 CD2 LEU A 60 2.234 -0.859 5.616 1.00 0.00 C ATOM 0 H LEU A 60 5.198 1.554 6.762 1.00 0.00 H new ATOM 0 HA LEU A 60 5.194 -0.979 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.179 1.718 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.795 0.154 3.772 1.00 0.00 H new ATOM 0 HG LEU A 60 3.127 0.771 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.894 1.507 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.175 2.603 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.425 1.450 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.369 -0.907 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.931 -1.123 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.994 -1.559 5.961 1.00 0.00 H new ATOM 941 N THR A 61 6.615 -0.405 3.283 1.00 0.00 N ATOM 942 CA THR A 61 7.712 -0.268 2.339 1.00 0.00 C ATOM 943 C THR A 61 7.309 0.650 1.183 1.00 0.00 C ATOM 944 O THR A 61 8.166 1.147 0.454 1.00 0.00 O ATOM 945 CB THR A 61 8.124 -1.670 1.887 1.00 0.00 C ATOM 946 OG1 THR A 61 6.902 -2.272 1.467 1.00 0.00 O ATOM 947 CG2 THR A 61 8.591 -2.547 3.050 1.00 0.00 C ATOM 0 H THR A 61 5.932 -1.123 3.041 1.00 0.00 H new ATOM 0 HA THR A 61 8.577 0.207 2.803 1.00 0.00 H new ATOM 0 HB THR A 61 8.921 -1.593 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.077 -3.185 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.872 -3.531 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.452 -2.084 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.783 -2.652 3.774 1.00 0.00 H new ATOM 955 N SER A 62 6.006 0.847 1.052 1.00 0.00 N ATOM 956 CA SER A 62 5.479 1.696 -0.003 1.00 0.00 C ATOM 957 C SER A 62 4.052 2.130 0.338 1.00 0.00 C ATOM 958 O SER A 62 3.435 1.584 1.251 1.00 0.00 O ATOM 959 CB SER A 62 5.508 0.978 -1.354 1.00 0.00 C ATOM 960 OG SER A 62 6.717 0.249 -1.545 1.00 0.00 O ATOM 0 H SER A 62 5.299 0.433 1.659 1.00 0.00 H new ATOM 0 HA SER A 62 6.112 2.580 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.660 0.297 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.395 1.708 -2.155 1.00 0.00 H new ATOM 0 HG SER A 62 7.461 0.736 -1.133 1.00 0.00 H new ATOM 966 N LEU A 63 3.570 3.108 -0.415 1.00 0.00 N ATOM 967 CA LEU A 63 2.227 3.621 -0.204 1.00 0.00 C ATOM 968 C LEU A 63 1.854 4.552 -1.360 1.00 0.00 C ATOM 969 O LEU A 63 2.354 5.673 -1.445 1.00 0.00 O ATOM 970 CB LEU A 63 2.114 4.276 1.174 1.00 0.00 C ATOM 971 CG LEU A 63 0.797 4.997 1.468 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.252 4.024 2.009 1.00 0.00 C ATOM 973 CD2 LEU A 63 1.019 6.182 2.410 1.00 0.00 C ATOM 0 H LEU A 63 4.085 3.558 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 63 1.503 2.806 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.262 3.508 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.929 4.992 1.282 1.00 0.00 H new ATOM 0 HG LEU A 63 0.411 5.398 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.178 4.562 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.438 3.243 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.112 3.572 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.067 6.677 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.439 5.825 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.709 6.889 1.949 1.00 0.00 H new ATOM 985 N LYS A 64 0.979 4.054 -2.220 1.00 0.00 N ATOM 986 CA LYS A 64 0.534 4.827 -3.367 1.00 0.00 C ATOM 987 C LYS A 64 -0.984 5.009 -3.296 1.00 0.00 C ATOM 988 O LYS A 64 -1.651 4.374 -2.481 1.00 0.00 O ATOM 989 CB LYS A 64 1.015 4.182 -4.668 1.00 0.00 C ATOM 990 CG LYS A 64 2.510 3.865 -4.603 1.00 0.00 C ATOM 991 CD LYS A 64 3.111 3.763 -6.006 1.00 0.00 C ATOM 992 CE LYS A 64 4.115 2.611 -6.090 1.00 0.00 C ATOM 993 NZ LYS A 64 3.908 1.833 -7.333 1.00 0.00 N ATOM 0 H LYS A 64 0.566 3.124 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 64 0.977 5.823 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.453 3.266 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.818 4.852 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.026 4.642 -4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.664 2.927 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.316 3.611 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.605 4.700 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.131 3.004 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.004 1.960 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.597 1.055 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.944 1.442 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.037 2.454 -8.157 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.484 5.880 -4.160 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.911 6.154 -4.205 1.00 0.00 C ATOM 1009 C HIS A 65 -3.506 5.563 -5.485 1.00 0.00 C ATOM 1010 O HIS A 65 -3.985 6.298 -6.347 1.00 0.00 O ATOM 1011 CB HIS A 65 -3.181 7.653 -4.062 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.560 8.074 -4.509 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.686 7.294 -4.303 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -4.984 9.199 -5.153 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.733 7.932 -4.805 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.296 9.112 -5.331 1.00 0.00 N ATOM 0 H HIS A 65 -0.927 6.405 -4.834 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.405 5.673 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.046 7.938 -3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.439 8.202 -4.641 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.706 6.384 -3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.358 10.022 -5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.754 7.579 -4.799 1.00 0.00 H new ATOM 1075 N ASP A 69 2.306 8.191 -6.766 1.00 0.00 N ATOM 1076 CA ASP A 69 3.266 8.112 -5.679 1.00 0.00 C ATOM 1077 C ASP A 69 3.032 9.274 -4.711 1.00 0.00 C ATOM 1078 O ASP A 69 3.707 10.299 -4.792 1.00 0.00 O ATOM 1079 CB ASP A 69 4.700 8.213 -6.201 1.00 0.00 C ATOM 1080 CG ASP A 69 4.964 7.473 -7.514 1.00 0.00 C ATOM 1081 OD1 ASP A 69 5.277 6.266 -7.432 1.00 0.00 O ATOM 1082 OD2 ASP A 69 4.847 8.132 -8.570 1.00 0.00 O ATOM 0 HA ASP A 69 3.131 7.152 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.947 9.266 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.376 7.824 -5.440 1.00 0.00 H new ATOM 1087 N ILE A 70 2.073 9.075 -3.819 1.00 0.00 N ATOM 1088 CA ILE A 70 1.741 10.094 -2.838 1.00 0.00 C ATOM 1089 C ILE A 70 2.480 9.798 -1.531 1.00 0.00 C ATOM 1090 O ILE A 70 3.063 8.726 -1.374 1.00 0.00 O ATOM 1091 CB ILE A 70 0.224 10.207 -2.674 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -0.152 11.477 -1.907 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.352 8.950 -2.020 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.531 11.985 -2.331 1.00 0.00 C ATOM 0 H ILE A 70 1.515 8.223 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 70 2.075 11.074 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.222 10.287 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.149 11.274 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.595 12.250 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.432 9.057 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.132 8.083 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.096 8.814 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.774 12.888 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.524 12.210 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.279 11.219 -2.127 1.00 0.00 H new ATOM 1106 N SER A 71 2.431 10.766 -0.628 1.00 0.00 N ATOM 1107 CA SER A 71 3.089 10.622 0.659 1.00 0.00 C ATOM 1108 C SER A 71 2.052 10.662 1.784 1.00 0.00 C ATOM 1109 O SER A 71 2.178 9.945 2.775 1.00 0.00 O ATOM 1110 CB SER A 71 4.139 11.714 0.867 1.00 0.00 C ATOM 1111 OG SER A 71 4.409 11.941 2.248 1.00 0.00 O ATOM 0 H SER A 71 1.946 11.653 -0.762 1.00 0.00 H new ATOM 0 HA SER A 71 3.598 9.659 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.061 11.431 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.794 12.641 0.408 1.00 0.00 H new ATOM 0 HG SER A 71 5.086 12.644 2.338 1.00 0.00 H new ATOM 1117 N VAL A 72 1.050 11.508 1.592 1.00 0.00 N ATOM 1118 CA VAL A 72 -0.007 11.651 2.578 1.00 0.00 C ATOM 1119 C VAL A 72 -1.352 11.315 1.929 1.00 0.00 C ATOM 1120 O VAL A 72 -1.621 11.728 0.802 1.00 0.00 O ATOM 1121 CB VAL A 72 0.030 13.055 3.185 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.324 13.424 3.794 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.148 13.174 4.222 1.00 0.00 C ATOM 0 H VAL A 72 0.948 12.101 0.768 1.00 0.00 H new ATOM 0 HA VAL A 72 0.141 10.952 3.401 1.00 0.00 H new ATOM 0 HB VAL A 72 0.241 13.762 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.271 14.426 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.091 13.398 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.577 12.711 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.153 14.181 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.981 12.452 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.108 12.973 3.747 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.160 10.570 2.668 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.470 10.175 2.179 1.00 0.00 C ATOM 1135 C ILE A 73 -4.550 10.797 3.067 1.00 0.00 C ATOM 1136 O ILE A 73 -4.510 10.658 4.288 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.564 8.652 2.071 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.572 8.112 1.039 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.999 8.211 1.773 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -3.106 8.296 -0.383 1.00 0.00 C ATOM 0 H ILE A 73 -1.933 10.229 3.602 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.630 10.554 1.169 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.289 8.224 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.617 8.628 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.385 7.055 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.038 7.124 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.657 8.546 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.326 8.649 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.382 7.904 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.048 7.759 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.269 9.356 -0.576 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.490 11.469 2.418 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.579 12.112 3.132 1.00 0.00 C ATOM 1154 C LYS A 74 -7.697 11.096 3.371 1.00 0.00 C ATOM 1155 O LYS A 74 -7.606 9.952 2.928 1.00 0.00 O ATOM 1156 CB LYS A 74 -7.038 13.369 2.391 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.855 14.292 2.092 1.00 0.00 C ATOM 1158 CD LYS A 74 -6.163 15.213 0.910 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.875 15.744 0.277 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.958 15.680 -1.199 1.00 0.00 N ATOM 0 H LYS A 74 -5.519 11.582 1.405 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.243 12.453 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.529 13.087 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.776 13.901 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.624 14.890 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.970 13.695 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.742 14.670 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.778 16.048 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.705 16.773 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.024 15.159 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.076 16.044 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.098 14.693 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.758 16.258 -1.527 1.00 0.00 H new ATOM 1174 N THR A 75 -8.727 11.550 4.070 1.00 0.00 N ATOM 1175 CA THR A 75 -9.862 10.695 4.373 1.00 0.00 C ATOM 1176 C THR A 75 -10.743 10.520 3.134 1.00 0.00 C ATOM 1177 O THR A 75 -10.950 11.467 2.377 1.00 0.00 O ATOM 1178 CB THR A 75 -10.604 11.299 5.567 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.736 11.062 6.671 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.875 10.524 5.919 1.00 0.00 C ATOM 0 H THR A 75 -8.799 12.500 4.435 1.00 0.00 H new ATOM 0 HA THR A 75 -9.539 9.691 4.648 1.00 0.00 H new ATOM 0 HB THR A 75 -10.860 12.336 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.826 10.904 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.363 10.994 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.553 10.529 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.616 9.495 6.170 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.239 9.303 2.967 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.093 8.992 1.834 1.00 0.00 C ATOM 1190 C GLY A 76 -11.260 8.639 0.600 1.00 0.00 C ATOM 1191 O GLY A 76 -11.807 8.271 -0.438 1.00 0.00 O ATOM 0 H GLY A 76 -11.066 8.520 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.748 8.158 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.734 9.845 1.612 1.00 0.00 H new ATOM 1195 N MET A 77 -9.950 8.763 0.754 1.00 0.00 N ATOM 1196 CA MET A 77 -9.036 8.461 -0.334 1.00 0.00 C ATOM 1197 C MET A 77 -8.541 7.016 -0.250 1.00 0.00 C ATOM 1198 O MET A 77 -8.105 6.565 0.809 1.00 0.00 O ATOM 1199 CB MET A 77 -7.841 9.414 -0.276 1.00 0.00 C ATOM 1200 CG MET A 77 -8.185 10.764 -0.909 1.00 0.00 C ATOM 1201 SD MET A 77 -7.366 10.925 -2.487 1.00 0.00 S ATOM 1202 CE MET A 77 -5.680 10.610 -1.995 1.00 0.00 C ATOM 0 H MET A 77 -9.500 9.069 1.617 1.00 0.00 H new ATOM 0 HA MET A 77 -9.569 8.588 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.539 9.561 0.761 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.992 8.970 -0.796 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.264 10.849 -1.040 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.879 11.574 -0.247 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.005 11.212 -2.604 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.552 10.872 -0.945 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.451 9.554 -2.136 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.626 6.328 -1.380 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.192 4.943 -1.447 1.00 0.00 C ATOM 1214 C ASP A 78 -6.679 4.897 -1.671 1.00 0.00 C ATOM 1215 O ASP A 78 -6.126 5.742 -2.374 1.00 0.00 O ATOM 1216 CB ASP A 78 -8.865 4.211 -2.610 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.338 4.560 -2.828 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -11.027 4.777 -1.807 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -10.743 4.602 -4.010 1.00 0.00 O ATOM 0 H ASP A 78 -8.989 6.704 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.465 4.458 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.316 4.432 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.783 3.137 -2.440 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.052 3.902 -1.061 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.614 3.735 -1.185 1.00 0.00 C ATOM 1226 C CYS A 79 -4.272 2.275 -0.880 1.00 0.00 C ATOM 1227 O CYS A 79 -5.008 1.598 -0.164 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.852 4.702 -0.276 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.485 4.581 1.437 1.00 0.00 S ATOM 0 H CYS A 79 -6.514 3.203 -0.479 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.303 3.975 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.787 4.470 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.963 5.723 -0.642 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.513 3.785 1.465 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.156 1.834 -1.440 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.707 0.466 -1.238 1.00 0.00 C ATOM 1237 C GLY A 80 -1.344 0.434 -0.544 1.00 0.00 C ATOM 1238 O GLY A 80 -0.499 1.294 -0.787 1.00 0.00 O ATOM 0 H GLY A 80 -2.549 2.399 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.438 -0.076 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.642 -0.045 -2.199 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.172 -0.568 0.305 1.00 0.00 N ATOM 1243 CA LEU A 81 0.074 -0.725 1.036 1.00 0.00 C ATOM 1244 C LEU A 81 0.451 -2.207 1.083 1.00 0.00 C ATOM 1245 O LEU A 81 -0.383 -3.071 0.816 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.028 -0.072 2.416 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.195 -0.534 3.291 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.886 -1.878 3.952 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.568 0.538 4.318 1.00 0.00 C ATOM 0 H LEU A 81 -1.875 -1.280 0.503 1.00 0.00 H new ATOM 0 HA LEU A 81 0.884 -0.207 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.901 -0.260 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.106 1.007 2.281 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.064 -0.683 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.732 -2.183 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.707 -2.629 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.002 -1.781 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.400 0.185 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.710 0.742 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.860 1.452 3.800 1.00 0.00 H new ATOM 1261 N SER A 82 1.706 -2.455 1.426 1.00 0.00 N ATOM 1262 CA SER A 82 2.203 -3.818 1.512 1.00 0.00 C ATOM 1263 C SER A 82 3.303 -3.908 2.570 1.00 0.00 C ATOM 1264 O SER A 82 4.064 -2.961 2.762 1.00 0.00 O ATOM 1265 CB SER A 82 2.728 -4.299 0.157 1.00 0.00 C ATOM 1266 OG SER A 82 3.701 -3.410 -0.384 1.00 0.00 O ATOM 0 H SER A 82 2.394 -1.735 1.648 1.00 0.00 H new ATOM 0 HA SER A 82 1.376 -4.466 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.166 -5.291 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.896 -4.395 -0.541 1.00 0.00 H new ATOM 0 HG SER A 82 4.013 -3.752 -1.248 1.00 0.00 H new ATOM 1272 N LEU A 83 3.353 -5.056 3.230 1.00 0.00 N ATOM 1273 CA LEU A 83 4.348 -5.282 4.264 1.00 0.00 C ATOM 1274 C LEU A 83 5.508 -6.094 3.682 1.00 0.00 C ATOM 1275 O LEU A 83 5.290 -7.035 2.920 1.00 0.00 O ATOM 1276 CB LEU A 83 3.705 -5.924 5.495 1.00 0.00 C ATOM 1277 CG LEU A 83 2.256 -5.525 5.780 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.630 -6.445 6.830 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.162 -4.051 6.181 1.00 0.00 C ATOM 0 H LEU A 83 2.720 -5.840 3.068 1.00 0.00 H new ATOM 0 HA LEU A 83 4.763 -4.334 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.747 -7.007 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.308 -5.674 6.368 1.00 0.00 H new ATOM 0 HG LEU A 83 1.682 -5.647 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.600 -6.139 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.644 -7.473 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.199 -6.379 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.121 -3.793 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.755 -3.880 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.543 -3.429 5.371 1.00 0.00 H new ATOM 1291 N ASP A 84 6.714 -5.700 4.063 1.00 0.00 N ATOM 1292 CA ASP A 84 7.907 -6.379 3.588 1.00 0.00 C ATOM 1293 C ASP A 84 7.720 -7.891 3.732 1.00 0.00 C ATOM 1294 O ASP A 84 8.280 -8.665 2.958 1.00 0.00 O ATOM 1295 CB ASP A 84 9.134 -5.975 4.409 1.00 0.00 C ATOM 1296 CG ASP A 84 8.938 -6.011 5.926 1.00 0.00 C ATOM 1297 OD1 ASP A 84 8.914 -7.136 6.469 1.00 0.00 O ATOM 1298 OD2 ASP A 84 8.816 -4.911 6.508 1.00 0.00 O ATOM 0 H ASP A 84 6.891 -4.919 4.695 1.00 0.00 H new ATOM 0 HA ASP A 84 8.061 -6.100 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.960 -6.637 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.430 -4.967 4.120 1.00 0.00 H new ATOM 1303 N GLU A 85 6.930 -8.265 4.727 1.00 0.00 N ATOM 1304 CA GLU A 85 6.661 -9.670 4.981 1.00 0.00 C ATOM 1305 C GLU A 85 5.503 -10.156 4.108 1.00 0.00 C ATOM 1306 O GLU A 85 4.482 -9.480 3.992 1.00 0.00 O ATOM 1307 CB GLU A 85 6.370 -9.913 6.464 1.00 0.00 C ATOM 1308 CG GLU A 85 6.650 -11.368 6.846 1.00 0.00 C ATOM 1309 CD GLU A 85 8.109 -11.553 7.268 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.978 -11.414 6.380 1.00 0.00 O ATOM 1311 OE2 GLU A 85 8.322 -11.829 8.468 1.00 0.00 O ATOM 0 H GLU A 85 6.467 -7.620 5.367 1.00 0.00 H new ATOM 0 HA GLU A 85 7.551 -10.243 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.984 -9.249 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.329 -9.671 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.991 -11.667 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.427 -12.019 6.001 1.00 0.00 H new ATOM 1318 N GLU A 86 5.700 -11.325 3.515 1.00 0.00 N ATOM 1319 CA GLU A 86 4.685 -11.909 2.656 1.00 0.00 C ATOM 1320 C GLU A 86 3.816 -12.887 3.449 1.00 0.00 C ATOM 1321 O GLU A 86 2.682 -13.168 3.066 1.00 0.00 O ATOM 1322 CB GLU A 86 5.320 -12.597 1.446 1.00 0.00 C ATOM 1323 CG GLU A 86 6.258 -13.723 1.886 1.00 0.00 C ATOM 1324 CD GLU A 86 7.690 -13.459 1.414 1.00 0.00 C ATOM 1325 OE1 GLU A 86 7.876 -13.383 0.180 1.00 0.00 O ATOM 1326 OE2 GLU A 86 8.565 -13.340 2.298 1.00 0.00 O ATOM 0 H GLU A 86 6.548 -11.883 3.613 1.00 0.00 H new ATOM 0 HA GLU A 86 4.048 -11.107 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.539 -13.000 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.874 -11.866 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.240 -13.813 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.907 -14.672 1.482 1.00 0.00 H new ATOM 1333 N LYS A 87 4.382 -13.379 4.542 1.00 0.00 N ATOM 1334 CA LYS A 87 3.674 -14.320 5.393 1.00 0.00 C ATOM 1335 C LYS A 87 2.366 -13.685 5.870 1.00 0.00 C ATOM 1336 O LYS A 87 1.316 -14.325 5.846 1.00 0.00 O ATOM 1337 CB LYS A 87 4.577 -14.797 6.532 1.00 0.00 C ATOM 1338 CG LYS A 87 5.433 -15.986 6.091 1.00 0.00 C ATOM 1339 CD LYS A 87 5.066 -17.247 6.876 1.00 0.00 C ATOM 1340 CE LYS A 87 6.232 -18.237 6.899 1.00 0.00 C ATOM 1341 NZ LYS A 87 7.190 -17.885 7.971 1.00 0.00 N ATOM 0 H LYS A 87 5.323 -13.143 4.857 1.00 0.00 H new ATOM 0 HA LYS A 87 3.408 -15.216 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.222 -13.980 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.967 -15.081 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.293 -16.164 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.488 -15.755 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.793 -16.978 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.193 -17.719 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.856 -19.248 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.739 -18.233 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.975 -18.567 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.562 -16.929 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.706 -17.912 8.891 1.00 0.00 H new ATOM 1355 N VAL A 88 2.473 -12.433 6.292 1.00 0.00 N ATOM 1356 CA VAL A 88 1.312 -11.705 6.773 1.00 0.00 C ATOM 1357 C VAL A 88 0.364 -11.433 5.604 1.00 0.00 C ATOM 1358 O VAL A 88 0.772 -10.878 4.585 1.00 0.00 O ATOM 1359 CB VAL A 88 1.756 -10.429 7.492 1.00 0.00 C ATOM 1360 CG1 VAL A 88 2.540 -9.514 6.549 1.00 0.00 C ATOM 1361 CG2 VAL A 88 0.557 -9.695 8.097 1.00 0.00 C ATOM 0 H VAL A 88 3.346 -11.905 6.311 1.00 0.00 H new ATOM 0 HA VAL A 88 0.764 -12.300 7.503 1.00 0.00 H new ATOM 0 HB VAL A 88 2.419 -10.717 8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.844 -8.614 7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.425 -10.037 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.910 -9.238 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.900 -8.792 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.142 -9.425 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.057 -10.345 8.815 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.885 -11.837 5.789 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.894 -11.644 4.762 1.00 0.00 C ATOM 1373 C GLU A 89 -3.055 -10.810 5.308 1.00 0.00 C ATOM 1374 O GLU A 89 -3.557 -11.079 6.398 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.390 -12.987 4.221 1.00 0.00 C ATOM 1376 CG GLU A 89 -3.749 -12.834 3.535 1.00 0.00 C ATOM 1377 CD GLU A 89 -4.196 -14.154 2.903 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -3.298 -14.911 2.476 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -5.425 -14.375 2.862 1.00 0.00 O ATOM 0 H GLU A 89 -1.220 -12.297 6.635 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.441 -11.101 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.665 -13.388 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.470 -13.705 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.492 -12.504 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.688 -12.062 2.768 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.447 -9.816 4.525 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.539 -8.941 4.916 1.00 0.00 C ATOM 1388 C PHE A 90 -5.892 -9.567 4.575 1.00 0.00 C ATOM 1389 O PHE A 90 -5.951 -10.676 4.046 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.377 -7.642 4.125 1.00 0.00 C ATOM 1391 CG PHE A 90 -2.921 -7.254 3.857 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.233 -6.520 4.773 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.315 -7.642 2.703 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -0.883 -6.160 4.524 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -0.964 -7.282 2.454 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.277 -6.549 3.370 1.00 0.00 C ATOM 0 H PHE A 90 -3.028 -9.597 3.621 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.510 -8.768 5.992 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.897 -7.742 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.863 -6.833 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.714 -6.211 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.861 -8.224 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.337 -5.577 5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.483 -7.590 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.751 -6.275 3.181 1.00 0.00 H new ATOM 1406 N LYS A 91 -6.946 -8.829 4.891 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.295 -9.298 4.623 1.00 0.00 C ATOM 1408 C LYS A 91 -9.275 -8.132 4.771 1.00 0.00 C ATOM 1409 O LYS A 91 -8.980 -7.152 5.454 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.631 -10.499 5.511 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.244 -11.812 4.826 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.226 -12.928 5.187 1.00 0.00 C ATOM 1413 CE LYS A 91 -8.813 -13.622 6.487 1.00 0.00 C ATOM 1414 NZ LYS A 91 -9.618 -14.846 6.699 1.00 0.00 N ATOM 0 H LYS A 91 -6.893 -7.910 5.330 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.377 -9.656 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.105 -10.412 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.697 -10.503 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.228 -11.672 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.236 -12.099 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.229 -12.514 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.267 -13.657 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.754 -13.878 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.947 -12.941 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.325 -15.305 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.625 -14.593 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.470 -15.501 5.905 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.450 -8.280 4.103 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.474 -7.251 4.153 1.00 0.00 C ATOM 1430 C PRO A 92 -12.199 -7.264 5.500 1.00 0.00 C ATOM 1431 O PRO A 92 -13.424 -7.362 5.549 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.393 -7.554 2.981 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.120 -8.999 2.599 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.833 -9.427 3.284 1.00 0.00 C ATOM 0 HA PRO A 92 -11.064 -6.245 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.438 -7.414 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.193 -6.885 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.947 -9.638 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.028 -9.097 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.987 -10.316 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.059 -9.670 2.556 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.411 -7.165 6.561 1.00 0.00 N ATOM 1443 CA GLY A 93 -11.963 -7.164 7.905 1.00 0.00 C ATOM 1444 C GLY A 93 -10.863 -6.959 8.949 1.00 0.00 C ATOM 1445 O GLY A 93 -10.942 -7.496 10.053 1.00 0.00 O ATOM 0 H GLY A 93 -10.395 -7.085 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.707 -6.373 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.476 -8.107 8.092 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.863 -6.180 8.563 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.749 -5.897 9.451 1.00 0.00 C ATOM 1451 C ASP A 94 -8.721 -4.400 9.767 1.00 0.00 C ATOM 1452 O ASP A 94 -9.676 -3.683 9.474 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.416 -6.267 8.798 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.429 -7.568 7.993 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.492 -8.227 7.997 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.377 -7.875 7.392 1.00 0.00 O ATOM 0 H ASP A 94 -9.801 -5.736 7.647 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.883 -6.487 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.113 -5.453 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.657 -6.347 9.576 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.616 -3.974 10.361 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.452 -2.575 10.719 1.00 0.00 C ATOM 1463 C GLN A 95 -5.986 -2.159 10.575 1.00 0.00 C ATOM 1464 O GLN A 95 -5.084 -2.957 10.821 1.00 0.00 O ATOM 1465 CB GLN A 95 -7.960 -2.309 12.138 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.409 -1.818 12.118 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.923 -1.570 13.538 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -10.250 -2.485 14.276 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -9.976 -0.285 13.877 1.00 0.00 N ATOM 0 H GLN A 95 -6.826 -4.572 10.603 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.050 -1.972 10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.889 -3.221 12.730 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.327 -1.565 12.621 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.477 -0.898 11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.040 -2.556 11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.687 0.431 13.210 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.306 -0.015 14.804 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.796 -0.910 10.176 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.456 -0.378 9.996 1.00 0.00 C ATOM 1480 C VAL A 96 -4.335 0.952 10.742 1.00 0.00 C ATOM 1481 O VAL A 96 -4.748 1.993 10.233 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.136 -0.259 8.505 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -2.949 0.678 8.272 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -3.878 -1.634 7.887 1.00 0.00 C ATOM 0 H VAL A 96 -6.548 -0.251 9.972 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.716 -1.056 10.420 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.006 0.172 8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.742 0.745 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.187 1.669 8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.071 0.288 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.653 -1.520 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.033 -2.106 8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.764 -2.258 8.005 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.766 0.875 11.936 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.586 2.060 12.757 1.00 0.00 C ATOM 1496 C ILE A 97 -2.243 2.711 12.418 1.00 0.00 C ATOM 1497 O ILE A 97 -1.205 2.052 12.450 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.745 1.715 14.239 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -4.990 0.855 14.471 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.754 2.980 15.099 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -6.240 1.537 13.912 1.00 0.00 C ATOM 0 H ILE A 97 -3.424 0.010 12.355 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.361 2.795 12.540 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.883 1.123 14.546 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.859 -0.117 13.996 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.117 0.673 15.538 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.868 2.706 16.148 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.816 3.518 14.965 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.585 3.619 14.798 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.110 0.905 14.090 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.382 2.498 14.407 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.120 1.695 12.840 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.308 3.995 12.101 1.00 0.00 N ATOM 1514 CA CYS A 98 -1.110 4.742 11.757 1.00 0.00 C ATOM 1515 C CYS A 98 -0.799 5.707 12.903 1.00 0.00 C ATOM 1516 O CYS A 98 -1.412 6.769 13.008 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.263 5.473 10.421 1.00 0.00 C ATOM 1518 SG CYS A 98 0.086 6.692 10.216 1.00 0.00 S ATOM 0 H CYS A 98 -3.171 4.538 12.075 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.275 4.054 11.626 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.244 4.756 9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.229 5.977 10.381 1.00 0.00 H new ATOM 0 HG CYS A 98 -0.052 7.305 9.078 1.00 0.00 H new ATOM 1524 N TYR A 99 0.152 5.304 13.732 1.00 0.00 N ATOM 1525 CA TYR A 99 0.551 6.120 14.866 1.00 0.00 C ATOM 1526 C TYR A 99 2.024 6.522 14.761 1.00 0.00 C ATOM 1527 O TYR A 99 2.720 6.106 13.836 1.00 0.00 O ATOM 1528 CB TYR A 99 0.362 5.242 16.105 1.00 0.00 C ATOM 1529 CG TYR A 99 1.363 4.089 16.209 1.00 0.00 C ATOM 1530 CD1 TYR A 99 1.108 2.894 15.568 1.00 0.00 C ATOM 1531 CD2 TYR A 99 2.520 4.245 16.944 1.00 0.00 C ATOM 1532 CE1 TYR A 99 2.049 1.809 15.666 1.00 0.00 C ATOM 1533 CE2 TYR A 99 3.462 3.160 17.042 1.00 0.00 C ATOM 1534 CZ TYR A 99 3.180 1.995 16.398 1.00 0.00 C ATOM 1535 OH TYR A 99 4.070 0.971 16.491 1.00 0.00 O ATOM 0 H TYR A 99 0.658 4.423 13.641 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.040 7.035 14.907 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.447 5.865 16.995 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.648 4.833 16.097 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.202 2.773 14.993 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.719 5.180 17.446 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.861 0.869 15.169 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.372 3.269 17.614 1.00 0.00 H new ATOM 0 HH TYR A 99 4.830 1.248 17.044 1.00 0.00 H new