USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.938 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 90:sc= -0.299! USER MOD Single : A 48 ASN :FLIP amide:sc= -0.748 F(o=-2.9,f=-0.75) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -69:sc= 0.293 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -94:sc= -1.39 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -20.712 -3.649 -21.672 1.00 0.00 N ATOM 96 CA GLY A 7 -21.211 -2.483 -20.963 1.00 0.00 C ATOM 97 C GLY A 7 -22.070 -2.896 -19.765 1.00 0.00 C ATOM 98 O GLY A 7 -21.792 -2.505 -18.633 1.00 0.00 O ATOM 0 HA2 GLY A 7 -20.374 -1.874 -20.622 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.799 -1.865 -21.641 1.00 0.00 H new ATOM 102 N TYR A 8 -23.096 -3.682 -20.057 1.00 0.00 N ATOM 103 CA TYR A 8 -23.997 -4.153 -19.019 1.00 0.00 C ATOM 104 C TYR A 8 -23.217 -4.692 -17.819 1.00 0.00 C ATOM 105 O TYR A 8 -23.478 -4.308 -16.680 1.00 0.00 O ATOM 106 CB TYR A 8 -24.802 -5.294 -19.644 1.00 0.00 C ATOM 107 CG TYR A 8 -26.141 -5.562 -18.954 1.00 0.00 C ATOM 108 CD1 TYR A 8 -26.193 -5.709 -17.583 1.00 0.00 C ATOM 109 CD2 TYR A 8 -27.296 -5.658 -19.703 1.00 0.00 C ATOM 110 CE1 TYR A 8 -27.453 -5.961 -16.933 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.556 -5.911 -19.053 1.00 0.00 C ATOM 112 CZ TYR A 8 -28.572 -6.050 -17.701 1.00 0.00 C ATOM 113 OH TYR A 8 -29.763 -6.289 -17.087 1.00 0.00 O ATOM 0 H TYR A 8 -23.323 -4.004 -20.998 1.00 0.00 H new ATOM 0 HA TYR A 8 -24.631 -3.340 -18.664 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -24.986 -5.063 -20.693 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.203 -6.204 -19.618 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -25.289 -5.635 -16.997 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -27.255 -5.543 -20.776 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -27.508 -6.077 -15.861 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -29.468 -5.989 -19.627 1.00 0.00 H new ATOM 0 HH TYR A 8 -30.476 -6.326 -17.759 1.00 0.00 H new ATOM 123 N ALA A 9 -22.274 -5.575 -18.115 1.00 0.00 N ATOM 124 CA ALA A 9 -21.454 -6.172 -17.075 1.00 0.00 C ATOM 125 C ALA A 9 -20.760 -5.063 -16.280 1.00 0.00 C ATOM 126 O ALA A 9 -20.604 -5.171 -15.065 1.00 0.00 O ATOM 127 CB ALA A 9 -20.458 -7.147 -17.706 1.00 0.00 C ATOM 0 H ALA A 9 -22.060 -5.891 -19.061 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.071 -6.741 -16.379 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.843 -7.595 -16.925 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.001 -7.931 -18.234 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.820 -6.611 -18.408 1.00 0.00 H new ATOM 133 N ALA A 10 -20.363 -4.024 -16.998 1.00 0.00 N ATOM 134 CA ALA A 10 -19.690 -2.897 -16.375 1.00 0.00 C ATOM 135 C ALA A 10 -20.672 -2.166 -15.457 1.00 0.00 C ATOM 136 O ALA A 10 -20.272 -1.594 -14.444 1.00 0.00 O ATOM 137 CB ALA A 10 -19.114 -1.983 -17.459 1.00 0.00 C ATOM 0 H ALA A 10 -20.494 -3.938 -18.006 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.857 -3.239 -15.761 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.609 -1.138 -16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.401 -2.542 -18.065 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.921 -1.618 -18.094 1.00 0.00 H new ATOM 143 N LEU A 11 -21.938 -2.208 -15.845 1.00 0.00 N ATOM 144 CA LEU A 11 -22.980 -1.557 -15.069 1.00 0.00 C ATOM 145 C LEU A 11 -23.151 -2.289 -13.736 1.00 0.00 C ATOM 146 O LEU A 11 -23.064 -1.678 -12.673 1.00 0.00 O ATOM 147 CB LEU A 11 -24.270 -1.455 -15.884 1.00 0.00 C ATOM 148 CG LEU A 11 -25.214 -0.312 -15.506 1.00 0.00 C ATOM 149 CD1 LEU A 11 -26.123 0.059 -16.680 1.00 0.00 C ATOM 150 CD2 LEU A 11 -26.014 -0.655 -14.248 1.00 0.00 C ATOM 0 H LEU A 11 -22.266 -2.683 -16.686 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.696 -0.531 -14.835 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.004 -1.347 -16.936 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.813 -2.395 -15.787 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.612 0.566 -15.275 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.784 0.874 -16.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -25.513 0.375 -17.527 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -26.720 -0.807 -16.966 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.677 0.174 -14.001 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.606 -1.552 -14.427 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.329 -0.831 -13.418 1.00 0.00 H new ATOM 162 N VAL A 12 -23.390 -3.589 -13.838 1.00 0.00 N ATOM 163 CA VAL A 12 -23.574 -4.411 -12.654 1.00 0.00 C ATOM 164 C VAL A 12 -22.390 -4.205 -11.707 1.00 0.00 C ATOM 165 O VAL A 12 -22.564 -3.744 -10.580 1.00 0.00 O ATOM 166 CB VAL A 12 -23.770 -5.873 -13.058 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.736 -6.789 -11.833 1.00 0.00 C ATOM 168 CG2 VAL A 12 -25.071 -6.056 -13.843 1.00 0.00 C ATOM 0 H VAL A 12 -23.460 -4.093 -14.722 1.00 0.00 H new ATOM 0 HA VAL A 12 -24.475 -4.113 -12.117 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.943 -6.154 -13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.878 -7.823 -12.148 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.773 -6.691 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -24.533 -6.507 -11.145 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -25.186 -7.105 -14.118 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -25.915 -5.748 -13.225 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -25.040 -5.446 -14.746 1.00 0.00 H new ATOM 178 N THR A 13 -21.211 -4.558 -12.200 1.00 0.00 N ATOM 179 CA THR A 13 -19.999 -4.418 -11.412 1.00 0.00 C ATOM 180 C THR A 13 -19.960 -3.049 -10.730 1.00 0.00 C ATOM 181 O THR A 13 -19.715 -2.956 -9.529 1.00 0.00 O ATOM 182 CB THR A 13 -18.804 -4.672 -12.333 1.00 0.00 C ATOM 183 OG1 THR A 13 -18.788 -6.088 -12.499 1.00 0.00 O ATOM 184 CG2 THR A 13 -17.467 -4.361 -11.657 1.00 0.00 C ATOM 0 H THR A 13 -21.070 -4.940 -13.135 1.00 0.00 H new ATOM 0 HA THR A 13 -19.967 -5.149 -10.604 1.00 0.00 H new ATOM 0 HB THR A 13 -18.905 -4.066 -13.234 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.044 -6.340 -13.085 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.652 -4.558 -12.354 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.445 -3.312 -11.360 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.350 -4.990 -10.775 1.00 0.00 H new ATOM 192 N PHE A 14 -20.206 -2.020 -11.528 1.00 0.00 N ATOM 193 CA PHE A 14 -20.203 -0.660 -11.017 1.00 0.00 C ATOM 194 C PHE A 14 -21.069 -0.543 -9.761 1.00 0.00 C ATOM 195 O PHE A 14 -20.626 -0.012 -8.744 1.00 0.00 O ATOM 196 CB PHE A 14 -20.792 0.231 -12.112 1.00 0.00 C ATOM 197 CG PHE A 14 -19.772 1.160 -12.774 1.00 0.00 C ATOM 198 CD1 PHE A 14 -18.729 0.637 -13.474 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.908 2.509 -12.664 1.00 0.00 C ATOM 200 CE1 PHE A 14 -17.783 1.499 -14.088 1.00 0.00 C ATOM 201 CE2 PHE A 14 -18.962 3.371 -13.278 1.00 0.00 C ATOM 202 CZ PHE A 14 -17.919 2.848 -13.977 1.00 0.00 C ATOM 0 H PHE A 14 -20.409 -2.101 -12.524 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.187 -0.365 -10.754 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.243 -0.401 -12.877 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.593 0.834 -11.684 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.621 -0.434 -13.562 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.736 2.924 -12.109 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.955 1.084 -14.643 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.070 4.442 -13.190 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.199 3.504 -14.444 1.00 0.00 H new ATOM 212 N GLY A 15 -22.288 -1.050 -9.873 1.00 0.00 N ATOM 213 CA GLY A 15 -23.220 -1.009 -8.759 1.00 0.00 C ATOM 214 C GLY A 15 -22.760 -1.927 -7.625 1.00 0.00 C ATOM 215 O GLY A 15 -22.495 -1.466 -6.516 1.00 0.00 O ATOM 0 H GLY A 15 -22.652 -1.491 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.308 0.013 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -24.211 -1.312 -9.098 1.00 0.00 H new ATOM 219 N SER A 16 -22.679 -3.211 -7.942 1.00 0.00 N ATOM 220 CA SER A 16 -22.255 -4.198 -6.964 1.00 0.00 C ATOM 221 C SER A 16 -21.104 -3.641 -6.123 1.00 0.00 C ATOM 222 O SER A 16 -21.214 -3.545 -4.901 1.00 0.00 O ATOM 223 CB SER A 16 -21.831 -5.502 -7.644 1.00 0.00 C ATOM 224 OG SER A 16 -22.557 -6.623 -7.147 1.00 0.00 O ATOM 0 H SER A 16 -22.900 -3.590 -8.863 1.00 0.00 H new ATOM 0 HA SER A 16 -23.101 -4.418 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.986 -5.417 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.764 -5.662 -7.488 1.00 0.00 H new ATOM 0 HG SER A 16 -22.259 -7.436 -7.607 1.00 0.00 H new ATOM 230 N ILE A 17 -20.028 -3.288 -6.810 1.00 0.00 N ATOM 231 CA ILE A 17 -18.859 -2.743 -6.142 1.00 0.00 C ATOM 232 C ILE A 17 -19.274 -1.532 -5.304 1.00 0.00 C ATOM 233 O ILE A 17 -18.835 -1.380 -4.165 1.00 0.00 O ATOM 234 CB ILE A 17 -17.754 -2.440 -7.156 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.374 -2.497 -6.498 1.00 0.00 C ATOM 236 CG2 ILE A 17 -18.002 -1.101 -7.853 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.783 -3.906 -6.585 1.00 0.00 C ATOM 0 H ILE A 17 -19.941 -3.369 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.436 -3.477 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.775 -3.212 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.705 -1.787 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.452 -2.195 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -17.202 -0.910 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -18.957 -1.135 -8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -18.023 -0.303 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.802 -3.919 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.442 -4.609 -6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.683 -4.195 -7.631 1.00 0.00 H new ATOM 249 N PHE A 18 -20.115 -0.700 -5.901 1.00 0.00 N ATOM 250 CA PHE A 18 -20.594 0.493 -5.225 1.00 0.00 C ATOM 251 C PHE A 18 -21.211 0.144 -3.869 1.00 0.00 C ATOM 252 O PHE A 18 -21.120 0.925 -2.922 1.00 0.00 O ATOM 253 CB PHE A 18 -21.672 1.111 -6.118 1.00 0.00 C ATOM 254 CG PHE A 18 -21.383 2.555 -6.534 1.00 0.00 C ATOM 255 CD1 PHE A 18 -20.384 2.821 -7.418 1.00 0.00 C ATOM 256 CD2 PHE A 18 -22.124 3.572 -6.019 1.00 0.00 C ATOM 257 CE1 PHE A 18 -20.116 4.161 -7.804 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.856 4.912 -6.405 1.00 0.00 C ATOM 259 CZ PHE A 18 -20.858 5.178 -7.289 1.00 0.00 C ATOM 0 H PHE A 18 -20.477 -0.829 -6.846 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.766 1.180 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -21.781 0.500 -7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.627 1.079 -5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.795 2.013 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -22.916 3.361 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.323 4.373 -8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -22.445 5.720 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.654 6.197 -7.582 1.00 0.00 H new ATOM 269 N GLY A 19 -21.825 -1.029 -3.818 1.00 0.00 N ATOM 270 CA GLY A 19 -22.456 -1.490 -2.593 1.00 0.00 C ATOM 271 C GLY A 19 -21.473 -2.293 -1.739 1.00 0.00 C ATOM 272 O GLY A 19 -21.682 -2.460 -0.538 1.00 0.00 O ATOM 0 H GLY A 19 -21.899 -1.674 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.823 -0.635 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.321 -2.107 -2.835 1.00 0.00 H new ATOM 276 N TYR A 20 -20.423 -2.769 -2.391 1.00 0.00 N ATOM 277 CA TYR A 20 -19.407 -3.551 -1.706 1.00 0.00 C ATOM 278 C TYR A 20 -20.040 -4.691 -0.905 1.00 0.00 C ATOM 279 O TYR A 20 -20.540 -4.476 0.198 1.00 0.00 O ATOM 280 CB TYR A 20 -18.715 -2.588 -0.740 1.00 0.00 C ATOM 281 CG TYR A 20 -17.325 -3.046 -0.294 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.187 -4.189 0.468 1.00 0.00 C ATOM 283 CD2 TYR A 20 -16.210 -2.317 -0.653 1.00 0.00 C ATOM 284 CE1 TYR A 20 -15.879 -4.620 0.888 1.00 0.00 C ATOM 285 CE2 TYR A 20 -14.902 -2.749 -0.233 1.00 0.00 C ATOM 286 CZ TYR A 20 -14.801 -3.879 0.516 1.00 0.00 C ATOM 287 OH TYR A 20 -13.565 -4.286 0.913 1.00 0.00 O ATOM 0 H TYR A 20 -20.253 -2.628 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.715 -3.994 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -18.629 -1.611 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.344 -2.459 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.060 -4.760 0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -16.318 -1.423 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.757 -5.512 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.021 -2.188 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.890 -3.662 0.574 1.00 0.00 H new ATOM 297 N LYS A 21 -19.998 -5.878 -1.492 1.00 0.00 N ATOM 298 CA LYS A 21 -20.561 -7.052 -0.847 1.00 0.00 C ATOM 299 C LYS A 21 -19.818 -8.299 -1.330 1.00 0.00 C ATOM 300 O LYS A 21 -18.860 -8.198 -2.094 1.00 0.00 O ATOM 301 CB LYS A 21 -22.074 -7.112 -1.070 1.00 0.00 C ATOM 302 CG LYS A 21 -22.829 -6.954 0.252 1.00 0.00 C ATOM 303 CD LYS A 21 -23.284 -8.313 0.788 1.00 0.00 C ATOM 304 CE LYS A 21 -24.647 -8.202 1.474 1.00 0.00 C ATOM 305 NZ LYS A 21 -24.815 -9.283 2.471 1.00 0.00 N ATOM 0 H LYS A 21 -19.583 -6.052 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 21 -20.423 -6.997 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -22.375 -6.325 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -22.340 -8.062 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.187 -6.466 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -23.695 -6.308 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.342 -9.030 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.547 -8.695 1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.737 -7.232 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.441 -8.259 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.745 -9.193 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.750 -10.206 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.068 -9.211 3.191 1.00 0.00 H new ATOM 319 N ARG A 22 -20.290 -9.447 -0.865 1.00 0.00 N ATOM 320 CA ARG A 22 -19.682 -10.712 -1.240 1.00 0.00 C ATOM 321 C ARG A 22 -18.356 -10.904 -0.501 1.00 0.00 C ATOM 322 O ARG A 22 -18.269 -11.706 0.427 1.00 0.00 O ATOM 323 CB ARG A 22 -19.432 -10.778 -2.748 1.00 0.00 C ATOM 324 CG ARG A 22 -20.000 -12.069 -3.342 1.00 0.00 C ATOM 325 CD ARG A 22 -18.886 -13.082 -3.617 1.00 0.00 C ATOM 326 NE ARG A 22 -19.199 -14.369 -2.959 1.00 0.00 N ATOM 327 CZ ARG A 22 -18.305 -15.346 -2.755 1.00 0.00 C ATOM 328 NH1 ARG A 22 -17.037 -15.188 -3.157 1.00 0.00 N ATOM 329 NH2 ARG A 22 -18.679 -16.481 -2.149 1.00 0.00 N ATOM 0 H ARG A 22 -21.086 -9.527 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 22 -20.374 -11.507 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.891 -9.917 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.361 -10.723 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.728 -12.501 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.530 -11.845 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.775 -13.231 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.935 -12.698 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.156 -14.523 -2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.752 -14.324 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.356 -15.932 -3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.644 -16.601 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.998 -17.225 -1.994 1.00 0.00 H new ATOM 343 N ARG A 23 -17.356 -10.155 -0.942 1.00 0.00 N ATOM 344 CA ARG A 23 -16.038 -10.232 -0.335 1.00 0.00 C ATOM 345 C ARG A 23 -15.101 -9.201 -0.966 1.00 0.00 C ATOM 346 O ARG A 23 -15.393 -8.663 -2.034 1.00 0.00 O ATOM 347 CB ARG A 23 -15.436 -11.629 -0.502 1.00 0.00 C ATOM 348 CG ARG A 23 -15.062 -12.230 0.854 1.00 0.00 C ATOM 349 CD ARG A 23 -15.702 -13.608 1.038 1.00 0.00 C ATOM 350 NE ARG A 23 -14.878 -14.431 1.952 1.00 0.00 N ATOM 351 CZ ARG A 23 -13.771 -15.087 1.580 1.00 0.00 C ATOM 352 NH1 ARG A 23 -13.348 -15.021 0.310 1.00 0.00 N ATOM 353 NH2 ARG A 23 -13.087 -15.809 2.477 1.00 0.00 N ATOM 0 H ARG A 23 -17.432 -9.491 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.150 -10.022 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.151 -12.279 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.551 -11.574 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.978 -12.315 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.388 -11.564 1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.709 -13.500 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.797 -14.106 0.073 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.172 -14.503 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.869 -14.471 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.505 -15.520 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.409 -15.859 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.244 -16.309 2.194 1.00 0.00 H new ATOM 367 N GLY A 24 -13.995 -8.955 -0.280 1.00 0.00 N ATOM 368 CA GLY A 24 -13.013 -7.998 -0.761 1.00 0.00 C ATOM 369 C GLY A 24 -11.820 -8.710 -1.400 1.00 0.00 C ATOM 370 O GLY A 24 -11.342 -8.301 -2.457 1.00 0.00 O ATOM 0 H GLY A 24 -13.757 -9.402 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.476 -7.332 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.670 -7.377 0.066 1.00 0.00 H new ATOM 374 N GLY A 25 -11.373 -9.764 -0.732 1.00 0.00 N ATOM 375 CA GLY A 25 -10.244 -10.537 -1.222 1.00 0.00 C ATOM 376 C GLY A 25 -8.926 -9.800 -0.975 1.00 0.00 C ATOM 377 O GLY A 25 -8.836 -8.969 -0.073 1.00 0.00 O ATOM 0 H GLY A 25 -11.772 -10.101 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.221 -11.507 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.364 -10.727 -2.289 1.00 0.00 H new ATOM 381 N VAL A 26 -7.938 -10.132 -1.792 1.00 0.00 N ATOM 382 CA VAL A 26 -6.629 -9.512 -1.673 1.00 0.00 C ATOM 383 C VAL A 26 -6.270 -9.368 -0.193 1.00 0.00 C ATOM 384 O VAL A 26 -6.541 -8.336 0.418 1.00 0.00 O ATOM 385 CB VAL A 26 -6.611 -8.180 -2.425 1.00 0.00 C ATOM 386 CG1 VAL A 26 -6.208 -8.381 -3.887 1.00 0.00 C ATOM 387 CG2 VAL A 26 -7.964 -7.473 -2.321 1.00 0.00 C ATOM 0 H VAL A 26 -8.017 -10.822 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.866 -10.140 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.863 -7.541 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.203 -7.419 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.212 -8.821 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.921 -9.047 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.924 -6.529 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.740 -8.107 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.194 -7.279 -1.273 1.00 0.00 H new ATOM 397 N PRO A 27 -5.648 -10.447 0.355 1.00 0.00 N ATOM 398 CA PRO A 27 -5.249 -10.451 1.752 1.00 0.00 C ATOM 399 C PRO A 27 -4.009 -9.582 1.970 1.00 0.00 C ATOM 400 O PRO A 27 -3.252 -9.329 1.034 1.00 0.00 O ATOM 401 CB PRO A 27 -5.017 -11.914 2.090 1.00 0.00 C ATOM 402 CG PRO A 27 -4.842 -12.628 0.759 1.00 0.00 C ATOM 403 CD PRO A 27 -5.311 -11.687 -0.338 1.00 0.00 C ATOM 0 HA PRO A 27 -6.006 -10.020 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.133 -12.034 2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.860 -12.325 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.798 -12.902 0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.420 -13.552 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.530 -11.525 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.174 -12.093 -0.865 1.00 0.00 H new ATOM 411 N SER A 28 -3.839 -9.150 3.211 1.00 0.00 N ATOM 412 CA SER A 28 -2.703 -8.315 3.564 1.00 0.00 C ATOM 413 C SER A 28 -2.917 -6.893 3.041 1.00 0.00 C ATOM 414 O SER A 28 -2.902 -5.936 3.813 1.00 0.00 O ATOM 415 CB SER A 28 -1.400 -8.895 3.010 1.00 0.00 C ATOM 416 OG SER A 28 -0.427 -9.093 4.031 1.00 0.00 O ATOM 0 H SER A 28 -4.469 -9.362 3.985 1.00 0.00 H new ATOM 0 HA SER A 28 -2.623 -8.287 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.607 -9.845 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.998 -8.223 2.251 1.00 0.00 H new ATOM 0 HG SER A 28 0.389 -9.466 3.637 1.00 0.00 H new ATOM 422 N LEU A 29 -3.111 -6.800 1.734 1.00 0.00 N ATOM 423 CA LEU A 29 -3.327 -5.512 1.099 1.00 0.00 C ATOM 424 C LEU A 29 -4.264 -4.671 1.968 1.00 0.00 C ATOM 425 O LEU A 29 -3.980 -3.507 2.248 1.00 0.00 O ATOM 426 CB LEU A 29 -3.822 -5.698 -0.337 1.00 0.00 C ATOM 427 CG LEU A 29 -3.150 -4.822 -1.397 1.00 0.00 C ATOM 428 CD1 LEU A 29 -3.153 -3.352 -0.975 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.740 -5.326 -1.710 1.00 0.00 C ATOM 0 H LEU A 29 -3.123 -7.597 1.097 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.388 -4.965 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.683 -6.742 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.894 -5.502 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.729 -4.894 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.670 -2.751 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.181 -3.014 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.611 -3.242 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.284 -4.686 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.136 -5.303 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.794 -6.348 -2.084 1.00 0.00 H new ATOM 441 N ILE A 30 -5.363 -5.292 2.371 1.00 0.00 N ATOM 442 CA ILE A 30 -6.343 -4.615 3.203 1.00 0.00 C ATOM 443 C ILE A 30 -5.629 -3.920 4.363 1.00 0.00 C ATOM 444 O ILE A 30 -5.821 -2.726 4.589 1.00 0.00 O ATOM 445 CB ILE A 30 -7.433 -5.592 3.649 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.217 -6.125 2.448 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.349 -4.952 4.693 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.995 -7.389 2.817 1.00 0.00 C ATOM 0 H ILE A 30 -5.596 -6.257 2.137 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.855 -3.839 2.633 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.952 -6.447 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.907 -5.360 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.531 -6.342 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.115 -5.668 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.761 -4.663 5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.825 -4.069 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.543 -7.746 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.300 -8.160 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.697 -7.163 3.619 1.00 0.00 H new ATOM 460 N ALA A 31 -4.819 -4.696 5.068 1.00 0.00 N ATOM 461 CA ALA A 31 -4.075 -4.170 6.199 1.00 0.00 C ATOM 462 C ALA A 31 -3.223 -2.986 5.737 1.00 0.00 C ATOM 463 O ALA A 31 -3.051 -2.015 6.473 1.00 0.00 O ATOM 464 CB ALA A 31 -3.233 -5.286 6.821 1.00 0.00 C ATOM 0 H ALA A 31 -4.662 -5.686 4.877 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.755 -3.807 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.675 -4.891 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.887 -6.090 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.537 -5.674 6.078 1.00 0.00 H new ATOM 470 N GLY A 32 -2.712 -3.105 4.521 1.00 0.00 N ATOM 471 CA GLY A 32 -1.882 -2.056 3.952 1.00 0.00 C ATOM 472 C GLY A 32 -2.698 -0.787 3.700 1.00 0.00 C ATOM 473 O GLY A 32 -2.164 0.320 3.755 1.00 0.00 O ATOM 0 H GLY A 32 -2.856 -3.912 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.057 -1.834 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.443 -2.402 3.016 1.00 0.00 H new ATOM 477 N LEU A 33 -3.979 -0.990 3.428 1.00 0.00 N ATOM 478 CA LEU A 33 -4.874 0.124 3.167 1.00 0.00 C ATOM 479 C LEU A 33 -5.265 0.781 4.493 1.00 0.00 C ATOM 480 O LEU A 33 -5.436 1.997 4.561 1.00 0.00 O ATOM 481 CB LEU A 33 -6.071 -0.334 2.332 1.00 0.00 C ATOM 482 CG LEU A 33 -6.195 0.287 0.940 1.00 0.00 C ATOM 483 CD1 LEU A 33 -7.158 -0.517 0.064 1.00 0.00 C ATOM 484 CD2 LEU A 33 -6.597 1.760 1.030 1.00 0.00 C ATOM 0 H LEU A 33 -4.418 -1.910 3.383 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.370 0.884 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.018 -1.417 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.982 -0.114 2.888 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.216 0.249 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.228 -0.054 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.789 -1.537 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.144 -0.534 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.678 2.177 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.558 1.844 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.841 2.310 1.591 1.00 0.00 H new ATOM 496 N PHE A 34 -5.394 -0.054 5.514 1.00 0.00 N ATOM 497 CA PHE A 34 -5.760 0.430 6.835 1.00 0.00 C ATOM 498 C PHE A 34 -4.669 1.335 7.410 1.00 0.00 C ATOM 499 O PHE A 34 -4.928 2.488 7.748 1.00 0.00 O ATOM 500 CB PHE A 34 -5.915 -0.798 7.734 1.00 0.00 C ATOM 501 CG PHE A 34 -7.364 -1.250 7.925 1.00 0.00 C ATOM 502 CD1 PHE A 34 -8.045 -1.808 6.888 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.972 -1.094 9.132 1.00 0.00 C ATOM 504 CE1 PHE A 34 -9.390 -2.228 7.066 1.00 0.00 C ATOM 505 CE2 PHE A 34 -9.317 -1.514 9.309 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.997 -2.073 8.272 1.00 0.00 C ATOM 0 H PHE A 34 -5.252 -1.062 5.453 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.681 1.010 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.341 -1.622 7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.482 -0.578 8.710 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.563 -1.932 5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.432 -0.651 9.956 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.931 -2.671 6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.800 -1.390 10.267 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.019 -2.394 8.407 1.00 0.00 H new ATOM 516 N VAL A 35 -3.471 0.776 7.503 1.00 0.00 N ATOM 517 CA VAL A 35 -2.339 1.518 8.032 1.00 0.00 C ATOM 518 C VAL A 35 -1.966 2.636 7.056 1.00 0.00 C ATOM 519 O VAL A 35 -1.835 3.793 7.453 1.00 0.00 O ATOM 520 CB VAL A 35 -1.177 0.565 8.320 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.085 1.339 8.705 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.553 -0.445 9.406 1.00 0.00 C ATOM 0 H VAL A 35 -3.260 -0.181 7.221 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.600 1.988 8.980 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.964 0.011 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.895 0.638 8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.370 2.000 7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.110 1.932 9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.710 -1.110 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.806 0.085 10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.412 -1.030 9.077 1.00 0.00 H new ATOM 532 N GLY A 36 -1.807 2.251 5.798 1.00 0.00 N ATOM 533 CA GLY A 36 -1.453 3.207 4.763 1.00 0.00 C ATOM 534 C GLY A 36 -2.397 4.411 4.781 1.00 0.00 C ATOM 535 O GLY A 36 -1.950 5.554 4.866 1.00 0.00 O ATOM 0 H GLY A 36 -1.917 1.291 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.427 3.543 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.494 2.723 3.787 1.00 0.00 H new ATOM 539 N CYS A 37 -3.685 4.113 4.699 1.00 0.00 N ATOM 540 CA CYS A 37 -4.696 5.157 4.705 1.00 0.00 C ATOM 541 C CYS A 37 -4.529 5.980 5.983 1.00 0.00 C ATOM 542 O CYS A 37 -4.583 7.209 5.946 1.00 0.00 O ATOM 543 CB CYS A 37 -6.107 4.578 4.580 1.00 0.00 C ATOM 544 SG CYS A 37 -7.322 5.931 4.372 1.00 0.00 S ATOM 0 H CYS A 37 -4.052 3.164 4.628 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.560 5.803 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.157 3.899 3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.349 3.994 5.468 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.516 5.429 4.265 1.00 0.00 H new ATOM 550 N LEU A 38 -4.328 5.271 7.084 1.00 0.00 N ATOM 551 CA LEU A 38 -4.152 5.922 8.372 1.00 0.00 C ATOM 552 C LEU A 38 -3.164 7.080 8.222 1.00 0.00 C ATOM 553 O LEU A 38 -3.530 8.240 8.405 1.00 0.00 O ATOM 554 CB LEU A 38 -3.747 4.901 9.437 1.00 0.00 C ATOM 555 CG LEU A 38 -4.017 5.302 10.888 1.00 0.00 C ATOM 556 CD1 LEU A 38 -5.501 5.155 11.231 1.00 0.00 C ATOM 557 CD2 LEU A 38 -3.125 4.514 11.850 1.00 0.00 C ATOM 0 H LEU A 38 -4.283 4.252 7.111 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.094 6.349 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.272 3.968 9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.682 4.697 9.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.763 6.356 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.665 5.447 12.268 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.091 5.796 10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.805 4.117 11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.337 4.818 12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.323 3.448 11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.078 4.714 11.622 1.00 0.00 H new ATOM 569 N ALA A 39 -1.931 6.725 7.892 1.00 0.00 N ATOM 570 CA ALA A 39 -0.887 7.720 7.716 1.00 0.00 C ATOM 571 C ALA A 39 -1.298 8.693 6.608 1.00 0.00 C ATOM 572 O ALA A 39 -1.628 9.846 6.881 1.00 0.00 O ATOM 573 CB ALA A 39 0.440 7.021 7.415 1.00 0.00 C ATOM 0 H ALA A 39 -1.631 5.762 7.742 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.750 8.298 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.223 7.768 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.701 6.364 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.343 6.432 6.503 1.00 0.00 H new ATOM 579 N GLY A 40 -1.264 8.192 5.382 1.00 0.00 N ATOM 580 CA GLY A 40 -1.628 9.002 4.232 1.00 0.00 C ATOM 581 C GLY A 40 -2.777 9.953 4.574 1.00 0.00 C ATOM 582 O GLY A 40 -2.557 11.142 4.802 1.00 0.00 O ATOM 0 H GLY A 40 -0.990 7.235 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.763 9.576 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.920 8.355 3.405 1.00 0.00 H new ATOM 586 N TYR A 41 -3.978 9.395 4.599 1.00 0.00 N ATOM 587 CA TYR A 41 -5.162 10.178 4.908 1.00 0.00 C ATOM 588 C TYR A 41 -4.859 11.229 5.979 1.00 0.00 C ATOM 589 O TYR A 41 -5.058 12.422 5.756 1.00 0.00 O ATOM 590 CB TYR A 41 -6.191 9.189 5.459 1.00 0.00 C ATOM 591 CG TYR A 41 -7.623 9.726 5.476 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.363 9.758 4.311 1.00 0.00 C ATOM 593 CD2 TYR A 41 -8.176 10.178 6.657 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.711 10.263 4.328 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.525 10.683 6.674 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.225 10.701 5.508 1.00 0.00 C ATOM 597 OH TYR A 41 -11.499 11.179 5.524 1.00 0.00 O ATOM 0 H TYR A 41 -4.157 8.409 4.410 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.519 10.701 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.162 8.279 4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.906 8.911 6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.931 9.404 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.597 10.153 7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.301 10.293 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.970 11.039 7.591 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.733 11.455 6.435 1.00 0.00 H new ATOM 607 N GLY A 42 -4.383 10.747 7.117 1.00 0.00 N ATOM 608 CA GLY A 42 -4.051 11.630 8.223 1.00 0.00 C ATOM 609 C GLY A 42 -3.245 12.836 7.738 1.00 0.00 C ATOM 610 O GLY A 42 -3.623 13.980 7.986 1.00 0.00 O ATOM 0 H GLY A 42 -4.219 9.757 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.966 11.971 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.478 11.082 8.971 1.00 0.00 H new ATOM 614 N ALA A 43 -2.148 12.539 7.056 1.00 0.00 N ATOM 615 CA ALA A 43 -1.285 13.585 6.534 1.00 0.00 C ATOM 616 C ALA A 43 -2.122 14.569 5.714 1.00 0.00 C ATOM 617 O ALA A 43 -1.884 15.775 5.754 1.00 0.00 O ATOM 618 CB ALA A 43 -0.157 12.955 5.715 1.00 0.00 C ATOM 0 H ALA A 43 -1.837 11.589 6.853 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.824 14.144 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.490 13.740 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.425 12.288 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.582 12.388 4.887 1.00 0.00 H new ATOM 624 N TYR A 44 -3.085 14.018 4.990 1.00 0.00 N ATOM 625 CA TYR A 44 -3.958 14.831 4.162 1.00 0.00 C ATOM 626 C TYR A 44 -4.950 15.619 5.020 1.00 0.00 C ATOM 627 O TYR A 44 -5.376 16.709 4.641 1.00 0.00 O ATOM 628 CB TYR A 44 -4.733 13.853 3.277 1.00 0.00 C ATOM 629 CG TYR A 44 -5.328 14.488 2.019 1.00 0.00 C ATOM 630 CD1 TYR A 44 -4.496 15.029 1.060 1.00 0.00 C ATOM 631 CD2 TYR A 44 -6.697 14.521 1.844 1.00 0.00 C ATOM 632 CE1 TYR A 44 -5.056 15.627 -0.125 1.00 0.00 C ATOM 633 CE2 TYR A 44 -7.257 15.119 0.659 1.00 0.00 C ATOM 634 CZ TYR A 44 -6.409 15.643 -0.266 1.00 0.00 C ATOM 635 OH TYR A 44 -6.938 16.208 -1.385 1.00 0.00 O ATOM 0 H TYR A 44 -3.280 13.017 4.960 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.377 15.549 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.068 13.041 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.538 13.409 3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.425 15.004 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.348 14.099 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.416 16.053 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.326 15.150 0.509 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.916 16.147 -1.351 1.00 0.00 H new ATOM 645 N ARG A 45 -5.289 15.037 6.161 1.00 0.00 N ATOM 646 CA ARG A 45 -6.223 15.671 7.076 1.00 0.00 C ATOM 647 C ARG A 45 -5.508 16.735 7.911 1.00 0.00 C ATOM 648 O ARG A 45 -5.804 17.923 7.794 1.00 0.00 O ATOM 649 CB ARG A 45 -6.861 14.642 8.012 1.00 0.00 C ATOM 650 CG ARG A 45 -8.304 15.024 8.344 1.00 0.00 C ATOM 651 CD ARG A 45 -9.228 14.764 7.153 1.00 0.00 C ATOM 652 NE ARG A 45 -10.600 15.220 7.467 1.00 0.00 N ATOM 653 CZ ARG A 45 -11.691 14.847 6.784 1.00 0.00 C ATOM 654 NH1 ARG A 45 -11.577 14.009 5.744 1.00 0.00 N ATOM 655 NH2 ARG A 45 -12.897 15.311 7.140 1.00 0.00 N ATOM 0 H ARG A 45 -4.934 14.133 6.473 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.007 16.138 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.840 13.658 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.279 14.571 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.646 14.452 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.350 16.077 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.855 15.287 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.235 13.701 6.913 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.723 15.858 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.660 13.655 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.408 13.725 5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.985 15.949 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.727 15.027 6.620 1.00 0.00 H new ATOM 669 N VAL A 46 -4.579 16.271 8.734 1.00 0.00 N ATOM 670 CA VAL A 46 -3.820 17.169 9.588 1.00 0.00 C ATOM 671 C VAL A 46 -2.905 16.347 10.499 1.00 0.00 C ATOM 672 O VAL A 46 -3.366 15.445 11.197 1.00 0.00 O ATOM 673 CB VAL A 46 -4.771 18.083 10.364 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.907 19.443 9.676 1.00 0.00 C ATOM 675 CG2 VAL A 46 -6.138 17.422 10.547 1.00 0.00 C ATOM 0 H VAL A 46 -4.335 15.285 8.828 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.183 17.819 8.988 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.344 18.249 11.353 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.588 20.073 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.929 19.922 9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.300 19.304 8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.795 18.092 11.101 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.574 17.212 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.020 16.490 11.100 1.00 0.00 H new ATOM 685 N SER A 47 -1.625 16.689 10.462 1.00 0.00 N ATOM 686 CA SER A 47 -0.642 15.994 11.275 1.00 0.00 C ATOM 687 C SER A 47 -0.408 14.586 10.724 1.00 0.00 C ATOM 688 O SER A 47 -0.862 14.261 9.628 1.00 0.00 O ATOM 689 CB SER A 47 -1.086 15.924 12.738 1.00 0.00 C ATOM 690 OG SER A 47 -2.248 16.713 12.981 1.00 0.00 O ATOM 0 H SER A 47 -1.247 17.438 9.882 1.00 0.00 H new ATOM 0 HA SER A 47 0.292 16.554 11.234 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.289 14.887 13.006 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.274 16.266 13.380 1.00 0.00 H new ATOM 0 HG SER A 47 -3.050 16.169 12.831 1.00 0.00 H new ATOM 696 N ASN A 48 0.300 13.788 11.510 1.00 0.00 N ATOM 697 CA ASN A 48 0.600 12.422 11.114 1.00 0.00 C ATOM 698 C ASN A 48 1.630 12.438 9.983 1.00 0.00 C ATOM 699 O ASN A 48 1.273 12.319 8.812 1.00 0.00 O ATOM 700 CB ASN A 48 -0.653 11.709 10.603 1.00 0.00 C ATOM 701 CG ASN A 48 -1.860 12.018 11.491 1.00 0.00 C ATOM 702 OD1 ASN A 48 -2.767 12.802 10.917 1.00 0.00 O flip ATOM 703 ND2 ASN A 48 -1.961 11.572 12.622 1.00 0.00 N flip ATOM 0 H ASN A 48 0.674 14.061 12.419 1.00 0.00 H new ATOM 0 HA ASN A 48 0.984 11.894 11.987 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.861 12.020 9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.480 10.633 10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.227 10.975 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.780 11.796 13.187 1.00 0.00 H new ATOM 710 N ASP A 49 2.888 12.586 10.372 1.00 0.00 N ATOM 711 CA ASP A 49 3.972 12.619 9.405 1.00 0.00 C ATOM 712 C ASP A 49 4.008 13.993 8.733 1.00 0.00 C ATOM 713 O ASP A 49 5.022 14.688 8.788 1.00 0.00 O ATOM 714 CB ASP A 49 3.769 11.565 8.315 1.00 0.00 C ATOM 715 CG ASP A 49 3.248 10.215 8.810 1.00 0.00 C ATOM 716 OD1 ASP A 49 2.032 10.010 8.943 1.00 0.00 O ATOM 717 OD2 ASP A 49 4.159 9.339 9.066 1.00 0.00 O ATOM 0 H ASP A 49 3.181 12.684 11.344 1.00 0.00 H new ATOM 0 HA ASP A 49 4.903 12.416 9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.071 11.958 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.718 11.406 7.803 1.00 0.00 H new ATOM 780 N VAL A 53 3.996 11.676 0.123 1.00 0.00 N ATOM 781 CA VAL A 53 4.945 11.258 -0.894 1.00 0.00 C ATOM 782 C VAL A 53 6.039 10.408 -0.245 1.00 0.00 C ATOM 783 O VAL A 53 6.468 9.403 -0.811 1.00 0.00 O ATOM 784 CB VAL A 53 5.497 12.481 -1.630 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.925 13.568 -0.642 1.00 0.00 C ATOM 786 CG2 VAL A 53 6.654 12.091 -2.551 1.00 0.00 C ATOM 0 HA VAL A 53 4.453 10.639 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 53 4.698 12.887 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.313 14.426 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.066 13.877 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.701 13.177 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.028 12.979 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.456 11.648 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.304 11.368 -3.288 1.00 0.00 H new ATOM 796 N LYS A 54 6.460 10.842 0.934 1.00 0.00 N ATOM 797 CA LYS A 54 7.496 10.133 1.666 1.00 0.00 C ATOM 798 C LYS A 54 6.849 9.069 2.555 1.00 0.00 C ATOM 799 O LYS A 54 7.304 7.927 2.594 1.00 0.00 O ATOM 800 CB LYS A 54 8.381 11.118 2.432 1.00 0.00 C ATOM 801 CG LYS A 54 9.859 10.894 2.108 1.00 0.00 C ATOM 802 CD LYS A 54 10.720 11.003 3.368 1.00 0.00 C ATOM 803 CE LYS A 54 11.786 12.089 3.212 1.00 0.00 C ATOM 804 NZ LYS A 54 12.826 11.948 4.256 1.00 0.00 N ATOM 0 H LYS A 54 6.103 11.676 1.401 1.00 0.00 H new ATOM 0 HA LYS A 54 8.161 9.613 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.100 12.140 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.218 11.001 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.991 9.910 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.189 11.628 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.088 11.230 4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.199 10.045 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.242 12.020 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.324 13.074 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.542 12.693 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.389 12.036 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.279 11.016 4.171 1.00 0.00 H new ATOM 818 N VAL A 55 5.797 9.481 3.247 1.00 0.00 N ATOM 819 CA VAL A 55 5.083 8.578 4.133 1.00 0.00 C ATOM 820 C VAL A 55 4.939 7.214 3.455 1.00 0.00 C ATOM 821 O VAL A 55 5.280 6.187 4.040 1.00 0.00 O ATOM 822 CB VAL A 55 3.739 9.191 4.534 1.00 0.00 C ATOM 823 CG1 VAL A 55 3.937 10.362 5.497 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.945 9.623 3.300 1.00 0.00 C ATOM 0 H VAL A 55 5.422 10.429 3.212 1.00 0.00 H new ATOM 0 HA VAL A 55 5.643 8.426 5.055 1.00 0.00 H new ATOM 0 HB VAL A 55 3.162 8.426 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.967 10.780 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.444 10.012 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.542 11.131 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.994 10.055 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.515 10.365 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.759 8.757 2.665 1.00 0.00 H new ATOM 834 N SER A 56 4.433 7.247 2.231 1.00 0.00 N ATOM 835 CA SER A 56 4.240 6.026 1.467 1.00 0.00 C ATOM 836 C SER A 56 5.501 5.162 1.534 1.00 0.00 C ATOM 837 O SER A 56 5.427 3.973 1.841 1.00 0.00 O ATOM 838 CB SER A 56 3.887 6.337 0.011 1.00 0.00 C ATOM 839 OG SER A 56 2.589 6.912 -0.112 1.00 0.00 O ATOM 0 H SER A 56 4.151 8.100 1.749 1.00 0.00 H new ATOM 0 HA SER A 56 3.407 5.477 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.627 7.021 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.935 5.421 -0.577 1.00 0.00 H new ATOM 0 HG SER A 56 1.911 6.237 0.101 1.00 0.00 H new ATOM 845 N LEU A 57 6.629 5.793 1.243 1.00 0.00 N ATOM 846 CA LEU A 57 7.903 5.097 1.266 1.00 0.00 C ATOM 847 C LEU A 57 8.123 4.490 2.653 1.00 0.00 C ATOM 848 O LEU A 57 8.645 3.383 2.775 1.00 0.00 O ATOM 849 CB LEU A 57 9.031 6.028 0.817 1.00 0.00 C ATOM 850 CG LEU A 57 9.933 5.499 -0.301 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.805 6.617 -0.877 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.768 4.312 0.184 1.00 0.00 C ATOM 0 H LEU A 57 6.687 6.779 0.990 1.00 0.00 H new ATOM 0 HA LEU A 57 7.899 4.272 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.589 6.968 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.654 6.255 1.682 1.00 0.00 H new ATOM 0 HG LEU A 57 9.299 5.137 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.436 6.215 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.168 7.402 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.433 7.032 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.400 3.955 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.394 4.625 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.106 3.509 0.508 1.00 0.00 H new ATOM 864 N PHE A 58 7.713 5.242 3.665 1.00 0.00 N ATOM 865 CA PHE A 58 7.858 4.792 5.039 1.00 0.00 C ATOM 866 C PHE A 58 6.897 3.642 5.343 1.00 0.00 C ATOM 867 O PHE A 58 7.149 2.839 6.241 1.00 0.00 O ATOM 868 CB PHE A 58 7.513 5.981 5.937 1.00 0.00 C ATOM 869 CG PHE A 58 8.732 6.672 6.552 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.449 6.047 7.524 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.099 7.910 6.126 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.581 6.687 8.095 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.230 8.551 6.697 1.00 0.00 C ATOM 874 CZ PHE A 58 10.947 7.926 7.669 1.00 0.00 C ATOM 0 H PHE A 58 7.281 6.160 3.560 1.00 0.00 H new ATOM 0 HA PHE A 58 8.874 4.435 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.950 6.711 5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.859 5.639 6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.157 5.064 7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.530 8.406 5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.151 6.191 8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.521 9.535 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.807 8.414 8.103 1.00 0.00 H new ATOM 884 N THR A 59 5.815 3.598 4.579 1.00 0.00 N ATOM 885 CA THR A 59 4.815 2.559 4.756 1.00 0.00 C ATOM 886 C THR A 59 5.328 1.226 4.208 1.00 0.00 C ATOM 887 O THR A 59 5.263 0.204 4.890 1.00 0.00 O ATOM 888 CB THR A 59 3.520 3.032 4.092 1.00 0.00 C ATOM 889 OG1 THR A 59 2.990 3.988 5.006 1.00 0.00 O ATOM 890 CG2 THR A 59 2.455 1.935 4.041 1.00 0.00 C ATOM 0 H THR A 59 5.609 4.266 3.836 1.00 0.00 H new ATOM 0 HA THR A 59 4.610 2.382 5.812 1.00 0.00 H new ATOM 0 HB THR A 59 3.735 3.377 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.149 4.347 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.556 2.322 3.561 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.834 1.086 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.215 1.614 5.054 1.00 0.00 H new ATOM 898 N ALA A 60 5.827 1.280 2.982 1.00 0.00 N ATOM 899 CA ALA A 60 6.351 0.089 2.334 1.00 0.00 C ATOM 900 C ALA A 60 7.558 -0.425 3.121 1.00 0.00 C ATOM 901 O ALA A 60 7.717 -1.631 3.303 1.00 0.00 O ATOM 902 CB ALA A 60 6.697 0.410 0.879 1.00 0.00 C ATOM 0 H ALA A 60 5.880 2.130 2.420 1.00 0.00 H new ATOM 0 HA ALA A 60 5.603 -0.703 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.090 -0.483 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.800 0.743 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.448 1.199 0.849 1.00 0.00 H new ATOM 908 N PHE A 61 8.377 0.516 3.567 1.00 0.00 N ATOM 909 CA PHE A 61 9.565 0.174 4.330 1.00 0.00 C ATOM 910 C PHE A 61 9.194 -0.547 5.628 1.00 0.00 C ATOM 911 O PHE A 61 9.691 -1.639 5.900 1.00 0.00 O ATOM 912 CB PHE A 61 10.270 1.487 4.674 1.00 0.00 C ATOM 913 CG PHE A 61 11.764 1.333 4.968 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.659 1.302 3.944 1.00 0.00 C ATOM 915 CD2 PHE A 61 12.197 1.228 6.253 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.045 1.159 4.216 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.584 1.085 6.525 1.00 0.00 C ATOM 918 CZ PHE A 61 14.478 1.054 5.501 1.00 0.00 C ATOM 0 H PHE A 61 8.241 1.515 3.414 1.00 0.00 H new ATOM 0 HA PHE A 61 10.203 -0.489 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.143 2.184 3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.783 1.932 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.315 1.386 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.487 1.253 7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.755 1.134 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.928 1.001 7.545 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.532 0.946 5.708 1.00 0.00 H new ATOM 928 N PHE A 62 8.325 0.094 6.396 1.00 0.00 N ATOM 929 CA PHE A 62 7.882 -0.473 7.658 1.00 0.00 C ATOM 930 C PHE A 62 7.197 -1.823 7.443 1.00 0.00 C ATOM 931 O PHE A 62 7.275 -2.706 8.296 1.00 0.00 O ATOM 932 CB PHE A 62 6.873 0.508 8.259 1.00 0.00 C ATOM 933 CG PHE A 62 7.447 1.392 9.367 1.00 0.00 C ATOM 934 CD1 PHE A 62 8.033 0.823 10.455 1.00 0.00 C ATOM 935 CD2 PHE A 62 7.372 2.746 9.265 1.00 0.00 C ATOM 936 CE1 PHE A 62 8.566 1.644 11.484 1.00 0.00 C ATOM 937 CE2 PHE A 62 7.906 3.566 10.294 1.00 0.00 C ATOM 938 CZ PHE A 62 8.492 2.998 11.382 1.00 0.00 C ATOM 0 H PHE A 62 7.916 1.000 6.168 1.00 0.00 H new ATOM 0 HA PHE A 62 8.737 -0.631 8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.485 1.145 7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.029 -0.054 8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.093 -0.252 10.536 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.906 3.198 8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.030 1.193 12.348 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.847 4.641 10.213 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.898 3.622 12.164 1.00 0.00 H new ATOM 948 N LEU A 63 6.540 -1.942 6.299 1.00 0.00 N ATOM 949 CA LEU A 63 5.841 -3.170 5.960 1.00 0.00 C ATOM 950 C LEU A 63 6.853 -4.312 5.845 1.00 0.00 C ATOM 951 O LEU A 63 6.812 -5.263 6.624 1.00 0.00 O ATOM 952 CB LEU A 63 4.989 -2.974 4.705 1.00 0.00 C ATOM 953 CG LEU A 63 3.511 -3.347 4.832 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.344 -4.845 5.094 1.00 0.00 C ATOM 955 CD2 LEU A 63 2.821 -2.497 5.901 1.00 0.00 C ATOM 0 H LEU A 63 6.477 -1.207 5.594 1.00 0.00 H new ATOM 0 HA LEU A 63 5.142 -3.441 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.055 -1.928 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.424 -3.565 3.899 1.00 0.00 H new ATOM 0 HG LEU A 63 3.021 -3.130 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.284 -5.083 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.777 -5.409 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.852 -5.111 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.771 -2.782 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.306 -2.659 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.893 -1.443 5.631 1.00 0.00 H new ATOM 967 N ALA A 64 7.736 -4.180 4.867 1.00 0.00 N ATOM 968 CA ALA A 64 8.757 -5.189 4.639 1.00 0.00 C ATOM 969 C ALA A 64 9.455 -5.509 5.962 1.00 0.00 C ATOM 970 O ALA A 64 9.525 -6.669 6.367 1.00 0.00 O ATOM 971 CB ALA A 64 9.733 -4.697 3.569 1.00 0.00 C ATOM 0 H ALA A 64 7.766 -3.390 4.223 1.00 0.00 H new ATOM 0 HA ALA A 64 8.309 -6.112 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.498 -5.454 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.192 -4.512 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.205 -3.773 3.904 1.00 0.00 H new ATOM 977 N THR A 65 9.955 -4.461 6.600 1.00 0.00 N ATOM 978 CA THR A 65 10.646 -4.616 7.869 1.00 0.00 C ATOM 979 C THR A 65 9.745 -5.322 8.884 1.00 0.00 C ATOM 980 O THR A 65 10.230 -6.040 9.756 1.00 0.00 O ATOM 981 CB THR A 65 11.108 -3.231 8.327 1.00 0.00 C ATOM 982 OG1 THR A 65 9.902 -2.482 8.442 1.00 0.00 O ATOM 983 CG2 THR A 65 11.904 -2.493 7.249 1.00 0.00 C ATOM 0 H THR A 65 9.895 -3.501 6.262 1.00 0.00 H new ATOM 0 HA THR A 65 11.526 -5.251 7.766 1.00 0.00 H new ATOM 0 HB THR A 65 11.719 -3.331 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.742 -1.989 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.208 -1.516 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.790 -3.073 6.989 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.283 -2.363 6.363 1.00 0.00 H new ATOM 991 N ILE A 66 8.448 -5.094 8.735 1.00 0.00 N ATOM 992 CA ILE A 66 7.474 -5.699 9.628 1.00 0.00 C ATOM 993 C ILE A 66 7.315 -7.179 9.274 1.00 0.00 C ATOM 994 O ILE A 66 7.020 -8.000 10.140 1.00 0.00 O ATOM 995 CB ILE A 66 6.161 -4.915 9.600 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.233 -3.692 10.516 1.00 0.00 C ATOM 997 CG2 ILE A 66 4.975 -5.819 9.942 1.00 0.00 C ATOM 998 CD1 ILE A 66 5.145 -2.676 10.161 1.00 0.00 C ATOM 0 H ILE A 66 8.049 -4.499 8.009 1.00 0.00 H new ATOM 0 HA ILE A 66 7.823 -5.653 10.660 1.00 0.00 H new ATOM 0 HB ILE A 66 6.004 -4.548 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.120 -4.004 11.554 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.214 -3.225 10.429 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.054 -5.237 9.915 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.914 -6.629 9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.111 -6.236 10.940 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.219 -1.816 10.827 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.276 -2.348 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.165 -3.139 10.273 1.00 0.00 H new ATOM 1010 N MET A 67 7.518 -7.474 7.998 1.00 0.00 N ATOM 1011 CA MET A 67 7.400 -8.841 7.518 1.00 0.00 C ATOM 1012 C MET A 67 8.724 -9.592 7.673 1.00 0.00 C ATOM 1013 O MET A 67 8.817 -10.538 8.454 1.00 0.00 O ATOM 1014 CB MET A 67 6.988 -8.831 6.045 1.00 0.00 C ATOM 1015 CG MET A 67 6.030 -9.984 5.736 1.00 0.00 C ATOM 1016 SD MET A 67 6.954 -11.426 5.233 1.00 0.00 S ATOM 1017 CE MET A 67 5.643 -12.396 4.506 1.00 0.00 C ATOM 0 H MET A 67 7.763 -6.790 7.282 1.00 0.00 H new ATOM 0 HA MET A 67 6.642 -9.351 8.113 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.510 -7.882 5.804 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.874 -8.911 5.415 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.430 -10.215 6.616 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.338 -9.691 4.946 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.049 -13.338 4.138 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.880 -12.599 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.198 -11.844 3.678 1.00 0.00 H new ATOM 1027 N GLY A 68 9.715 -9.142 6.917 1.00 0.00 N ATOM 1028 CA GLY A 68 11.029 -9.760 6.961 1.00 0.00 C ATOM 1029 C GLY A 68 11.494 -10.159 5.559 1.00 0.00 C ATOM 1030 O GLY A 68 12.060 -11.235 5.371 1.00 0.00 O ATOM 0 H GLY A 68 9.634 -8.357 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.746 -9.068 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.999 -10.641 7.603 1.00 0.00 H new ATOM 1231 N PRO A 79 7.453 -11.017 -4.888 1.00 0.00 N ATOM 1232 CA PRO A 79 8.072 -9.828 -4.327 1.00 0.00 C ATOM 1233 C PRO A 79 7.698 -8.582 -5.131 1.00 0.00 C ATOM 1234 O PRO A 79 7.444 -7.523 -4.560 1.00 0.00 O ATOM 1235 CB PRO A 79 9.564 -10.118 -4.340 1.00 0.00 C ATOM 1236 CG PRO A 79 9.759 -11.255 -5.330 1.00 0.00 C ATOM 1237 CD PRO A 79 8.394 -11.858 -5.622 1.00 0.00 C ATOM 0 HA PRO A 79 7.730 -9.614 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.131 -9.237 -4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.916 -10.400 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.218 -10.888 -6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.429 -12.009 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.179 -11.853 -6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.340 -12.895 -5.291 1.00 0.00 H new ATOM 1245 N ALA A 80 7.675 -8.750 -6.445 1.00 0.00 N ATOM 1246 CA ALA A 80 7.336 -7.652 -7.335 1.00 0.00 C ATOM 1247 C ALA A 80 6.095 -6.934 -6.801 1.00 0.00 C ATOM 1248 O ALA A 80 6.015 -5.707 -6.847 1.00 0.00 O ATOM 1249 CB ALA A 80 7.135 -8.188 -8.754 1.00 0.00 C ATOM 0 H ALA A 80 7.886 -9.630 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 80 8.147 -6.924 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.881 -7.365 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.054 -8.663 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.327 -8.919 -8.756 1.00 0.00 H new ATOM 1255 N GLY A 81 5.158 -7.729 -6.306 1.00 0.00 N ATOM 1256 CA GLY A 81 3.925 -7.184 -5.764 1.00 0.00 C ATOM 1257 C GLY A 81 4.190 -5.890 -4.991 1.00 0.00 C ATOM 1258 O GLY A 81 3.618 -4.847 -5.305 1.00 0.00 O ATOM 0 H GLY A 81 5.228 -8.746 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.222 -6.990 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.458 -7.916 -5.105 1.00 0.00 H new ATOM 1262 N LEU A 82 5.057 -6.000 -3.995 1.00 0.00 N ATOM 1263 CA LEU A 82 5.404 -4.852 -3.175 1.00 0.00 C ATOM 1264 C LEU A 82 5.753 -3.670 -4.082 1.00 0.00 C ATOM 1265 O LEU A 82 5.257 -2.563 -3.883 1.00 0.00 O ATOM 1266 CB LEU A 82 6.513 -5.217 -2.186 1.00 0.00 C ATOM 1267 CG LEU A 82 6.051 -5.723 -0.818 1.00 0.00 C ATOM 1268 CD1 LEU A 82 5.653 -7.199 -0.886 1.00 0.00 C ATOM 1269 CD2 LEU A 82 7.116 -5.465 0.250 1.00 0.00 C ATOM 0 H LEU A 82 5.529 -6.867 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 82 4.553 -4.547 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.141 -5.983 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.140 -4.339 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 82 5.162 -5.163 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.329 -7.534 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.838 -7.323 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.509 -7.792 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.763 -5.834 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.036 -5.982 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.309 -4.395 0.320 1.00 0.00 H new ATOM 1281 N VAL A 83 6.605 -3.947 -5.059 1.00 0.00 N ATOM 1282 CA VAL A 83 7.026 -2.920 -5.997 1.00 0.00 C ATOM 1283 C VAL A 83 5.794 -2.322 -6.680 1.00 0.00 C ATOM 1284 O VAL A 83 5.740 -1.119 -6.928 1.00 0.00 O ATOM 1285 CB VAL A 83 8.036 -3.500 -6.989 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.499 -2.436 -7.986 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.228 -4.121 -6.258 1.00 0.00 C ATOM 0 H VAL A 83 7.015 -4.867 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 83 7.533 -2.110 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 83 7.538 -4.291 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.216 -2.875 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.640 -2.060 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.971 -1.614 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.931 -4.526 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.725 -3.358 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.878 -4.922 -5.607 1.00 0.00 H new ATOM 1297 N ALA A 84 4.834 -3.191 -6.964 1.00 0.00 N ATOM 1298 CA ALA A 84 3.606 -2.764 -7.612 1.00 0.00 C ATOM 1299 C ALA A 84 2.816 -1.866 -6.659 1.00 0.00 C ATOM 1300 O ALA A 84 2.082 -0.982 -7.098 1.00 0.00 O ATOM 1301 CB ALA A 84 2.807 -3.992 -8.053 1.00 0.00 C ATOM 0 H ALA A 84 4.882 -4.189 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 84 3.827 -2.181 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.886 -3.671 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.401 -4.580 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.565 -4.601 -7.182 1.00 0.00 H new ATOM 1307 N GLY A 85 2.993 -2.123 -5.371 1.00 0.00 N ATOM 1308 CA GLY A 85 2.306 -1.349 -4.351 1.00 0.00 C ATOM 1309 C GLY A 85 2.864 0.074 -4.274 1.00 0.00 C ATOM 1310 O GLY A 85 2.134 1.042 -4.480 1.00 0.00 O ATOM 0 H GLY A 85 3.603 -2.857 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.239 -1.314 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.414 -1.839 -3.383 1.00 0.00 H new ATOM 1314 N LEU A 86 4.152 0.155 -3.978 1.00 0.00 N ATOM 1315 CA LEU A 86 4.816 1.443 -3.871 1.00 0.00 C ATOM 1316 C LEU A 86 4.549 2.256 -5.140 1.00 0.00 C ATOM 1317 O LEU A 86 4.237 3.443 -5.066 1.00 0.00 O ATOM 1318 CB LEU A 86 6.303 1.256 -3.563 1.00 0.00 C ATOM 1319 CG LEU A 86 7.196 2.475 -3.799 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.883 3.587 -2.796 1.00 0.00 C ATOM 1321 CD2 LEU A 86 8.675 2.084 -3.778 1.00 0.00 C ATOM 0 H LEU A 86 4.754 -0.651 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 86 4.410 2.012 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.402 0.954 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.679 0.432 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 86 6.981 2.868 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.532 4.442 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.842 3.891 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.052 3.221 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.288 2.969 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.923 1.652 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.869 1.352 -4.562 1.00 0.00 H new ATOM 1333 N SER A 87 4.681 1.584 -6.274 1.00 0.00 N ATOM 1334 CA SER A 87 4.458 2.229 -7.556 1.00 0.00 C ATOM 1335 C SER A 87 3.031 2.775 -7.626 1.00 0.00 C ATOM 1336 O SER A 87 2.828 3.958 -7.894 1.00 0.00 O ATOM 1337 CB SER A 87 4.713 1.259 -8.712 1.00 0.00 C ATOM 1338 OG SER A 87 5.234 1.922 -9.861 1.00 0.00 O ATOM 0 H SER A 87 4.940 0.599 -6.331 1.00 0.00 H new ATOM 0 HA SER A 87 5.161 3.056 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.413 0.488 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.783 0.756 -8.975 1.00 0.00 H new ATOM 0 HG SER A 87 5.385 1.268 -10.576 1.00 0.00 H new ATOM 1344 N LEU A 88 2.079 1.887 -7.380 1.00 0.00 N ATOM 1345 CA LEU A 88 0.676 2.266 -7.412 1.00 0.00 C ATOM 1346 C LEU A 88 0.495 3.595 -6.677 1.00 0.00 C ATOM 1347 O LEU A 88 -0.109 4.525 -7.210 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.196 1.135 -6.862 1.00 0.00 C ATOM 1349 CG LEU A 88 -1.167 0.494 -7.855 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -0.417 -0.346 -8.891 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -2.239 -0.319 -7.126 1.00 0.00 C ATOM 0 H LEU A 88 2.251 0.907 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 88 0.346 2.422 -8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.458 0.356 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.771 1.522 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.678 1.291 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.131 -0.790 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.277 0.290 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.138 -1.136 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.916 -0.764 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.764 -1.108 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.802 0.335 -6.460 1.00 0.00 H new ATOM 1363 N MET A 89 1.029 3.644 -5.466 1.00 0.00 N ATOM 1364 CA MET A 89 0.933 4.844 -4.653 1.00 0.00 C ATOM 1365 C MET A 89 1.505 6.055 -5.394 1.00 0.00 C ATOM 1366 O MET A 89 0.834 7.077 -5.530 1.00 0.00 O ATOM 1367 CB MET A 89 1.699 4.638 -3.345 1.00 0.00 C ATOM 1368 CG MET A 89 1.085 3.503 -2.523 1.00 0.00 C ATOM 1369 SD MET A 89 -0.050 4.167 -1.317 1.00 0.00 S ATOM 1370 CE MET A 89 -1.212 2.817 -1.208 1.00 0.00 C ATOM 0 H MET A 89 1.530 2.871 -5.028 1.00 0.00 H new ATOM 0 HA MET A 89 -0.119 5.034 -4.442 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.743 4.411 -3.562 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.688 5.560 -2.764 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.564 2.808 -3.181 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.872 2.939 -2.022 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.994 3.067 -0.492 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.659 2.641 -2.187 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.694 1.916 -0.879 1.00 0.00 H new ATOM 1380 N MET A 90 2.737 5.899 -5.854 1.00 0.00 N ATOM 1381 CA MET A 90 3.407 6.967 -6.577 1.00 0.00 C ATOM 1382 C MET A 90 2.486 7.569 -7.641 1.00 0.00 C ATOM 1383 O MET A 90 2.233 8.772 -7.639 1.00 0.00 O ATOM 1384 CB MET A 90 4.669 6.418 -7.245 1.00 0.00 C ATOM 1385 CG MET A 90 5.599 7.554 -7.676 1.00 0.00 C ATOM 1386 SD MET A 90 6.298 7.195 -9.279 1.00 0.00 S ATOM 1387 CE MET A 90 7.464 8.540 -9.416 1.00 0.00 C ATOM 0 H MET A 90 3.289 5.049 -5.740 1.00 0.00 H new ATOM 0 HA MET A 90 3.673 7.750 -5.867 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.192 5.757 -6.554 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.394 5.819 -8.113 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.047 8.493 -7.713 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.396 7.681 -6.943 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.992 8.468 -10.367 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.931 9.490 -9.368 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.181 8.484 -8.597 1.00 0.00 H new ATOM 1397 N ILE A 91 2.012 6.703 -8.525 1.00 0.00 N ATOM 1398 CA ILE A 91 1.125 7.134 -9.593 1.00 0.00 C ATOM 1399 C ILE A 91 -0.058 7.896 -8.991 1.00 0.00 C ATOM 1400 O ILE A 91 -0.391 8.990 -9.444 1.00 0.00 O ATOM 1401 CB ILE A 91 0.713 5.944 -10.460 1.00 0.00 C ATOM 1402 CG1 ILE A 91 1.939 5.253 -11.061 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -0.290 6.369 -11.535 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.673 3.763 -11.288 1.00 0.00 C ATOM 0 H ILE A 91 2.225 5.706 -8.524 1.00 0.00 H new ATOM 0 HA ILE A 91 1.641 7.822 -10.262 1.00 0.00 H new ATOM 0 HB ILE A 91 0.212 5.215 -9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.201 5.727 -12.007 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.793 5.376 -10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.566 5.504 -12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.181 6.779 -11.060 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.162 7.127 -12.175 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.560 3.296 -11.716 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.435 3.287 -10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.834 3.643 -11.973 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.660 7.287 -7.980 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.798 7.894 -7.312 1.00 0.00 C ATOM 1418 C LEU A 92 -1.419 9.300 -6.843 1.00 0.00 C ATOM 1419 O LEU A 92 -2.272 10.182 -6.763 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.307 6.987 -6.189 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.577 6.191 -6.493 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.282 5.029 -7.444 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.250 5.719 -5.203 1.00 0.00 C ATOM 0 H LEU A 92 -0.381 6.379 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.632 8.003 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.515 6.284 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.490 7.601 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.280 6.851 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.202 4.480 -7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.881 5.418 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.552 4.361 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.151 5.156 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.563 5.081 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.517 6.583 -4.595 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.139 9.464 -6.544 1.00 0.00 N ATOM 1436 CA ARG A 93 0.364 10.748 -6.085 1.00 0.00 C ATOM 1437 C ARG A 93 0.611 11.677 -7.275 1.00 0.00 C ATOM 1438 O ARG A 93 0.502 12.896 -7.148 1.00 0.00 O ATOM 1439 CB ARG A 93 1.666 10.580 -5.299 1.00 0.00 C ATOM 1440 CG ARG A 93 1.480 9.610 -4.130 1.00 0.00 C ATOM 1441 CD ARG A 93 1.187 10.366 -2.833 1.00 0.00 C ATOM 1442 NE ARG A 93 1.057 9.411 -1.709 1.00 0.00 N ATOM 1443 CZ ARG A 93 -0.022 8.646 -1.494 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.072 8.721 -2.324 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -0.052 7.808 -0.449 1.00 0.00 N ATOM 0 H ARG A 93 0.565 8.729 -6.611 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.389 11.184 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.450 10.211 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.996 11.549 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.661 8.924 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.379 9.005 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.988 11.076 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.269 10.944 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 93 1.838 9.330 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.049 9.360 -3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.894 8.139 -2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.747 7.752 0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.873 7.226 -0.286 1.00 0.00 H new ATOM 1459 N LEU A 94 0.938 11.067 -8.404 1.00 0.00 N ATOM 1460 CA LEU A 94 1.201 11.825 -9.616 1.00 0.00 C ATOM 1461 C LEU A 94 -0.050 12.620 -9.997 1.00 0.00 C ATOM 1462 O LEU A 94 0.050 13.727 -10.524 1.00 0.00 O ATOM 1463 CB LEU A 94 1.704 10.902 -10.727 1.00 0.00 C ATOM 1464 CG LEU A 94 3.200 10.581 -10.706 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.499 9.305 -11.495 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.023 11.770 -11.208 1.00 0.00 C ATOM 0 H LEU A 94 1.027 10.056 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 94 2.000 12.547 -9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.151 9.965 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.464 11.358 -11.688 1.00 0.00 H new ATOM 0 HG LEU A 94 3.495 10.397 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.569 9.100 -11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.957 8.469 -11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.185 9.435 -12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.083 11.516 -11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.731 12.009 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.842 12.634 -10.568 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.199 12.024 -9.715 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.468 12.662 -10.021 1.00 0.00 C ATOM 1480 C VAL A 95 -2.807 13.669 -8.920 1.00 0.00 C ATOM 1481 O VAL A 95 -3.442 14.689 -9.180 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.554 11.602 -10.216 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.205 10.668 -11.377 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.786 10.811 -8.927 1.00 0.00 C ATOM 0 H VAL A 95 -1.278 11.106 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.400 13.215 -10.958 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.483 12.115 -10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.993 9.924 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.113 11.248 -12.295 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.260 10.166 -11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.563 10.064 -9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.861 10.314 -8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.100 11.491 -8.135 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.367 13.346 -7.712 1.00 0.00 N ATOM 1495 CA LEU A 96 -2.616 14.209 -6.570 1.00 0.00 C ATOM 1496 C LEU A 96 -2.143 15.628 -6.896 1.00 0.00 C ATOM 1497 O LEU A 96 -2.867 16.595 -6.666 1.00 0.00 O ATOM 1498 CB LEU A 96 -1.979 13.624 -5.307 1.00 0.00 C ATOM 1499 CG LEU A 96 -2.671 13.969 -3.987 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -2.602 15.472 -3.708 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -4.109 13.448 -3.968 1.00 0.00 C ATOM 0 H LEU A 96 -1.840 12.499 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.685 14.268 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.951 12.539 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.945 13.966 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.137 13.467 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.101 15.690 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.559 15.783 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.096 16.015 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.577 13.707 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.671 13.901 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.105 12.365 -4.087 1.00 0.00 H new ATOM 1513 N LEU A 97 -0.931 15.706 -7.426 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.354 16.990 -7.786 1.00 0.00 C ATOM 1515 C LEU A 97 -1.432 17.869 -8.424 1.00 0.00 C ATOM 1516 O LEU A 97 -1.751 18.939 -7.909 1.00 0.00 O ATOM 1517 CB LEU A 97 0.881 16.794 -8.667 1.00 0.00 C ATOM 1518 CG LEU A 97 2.227 16.764 -7.939 1.00 0.00 C ATOM 1519 CD1 LEU A 97 3.326 16.198 -8.841 1.00 0.00 C ATOM 1520 CD2 LEU A 97 2.587 18.148 -7.396 1.00 0.00 C ATOM 0 H LEU A 97 -0.333 14.901 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.003 17.512 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.766 15.859 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.907 17.596 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 97 2.138 16.095 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.272 16.188 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.066 15.182 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.424 16.821 -9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.548 18.099 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.652 18.857 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.818 18.475 -6.696 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.962 17.384 -9.537 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.998 18.111 -10.251 1.00 0.00 C ATOM 1534 C LEU A 98 -4.105 18.506 -9.272 1.00 0.00 C ATOM 1535 O LEU A 98 -4.422 19.686 -9.130 1.00 0.00 O ATOM 1536 CB LEU A 98 -3.495 17.298 -11.448 1.00 0.00 C ATOM 1537 CG LEU A 98 -4.073 18.105 -12.613 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -2.970 18.856 -13.360 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -4.891 17.210 -13.547 1.00 0.00 C ATOM 0 H LEU A 98 -1.694 16.496 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.597 19.035 -10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.666 16.698 -11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.259 16.604 -11.098 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.753 18.853 -12.206 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.408 19.421 -14.183 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.468 19.540 -12.676 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.247 18.142 -13.754 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.290 17.808 -14.366 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.252 16.424 -13.949 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.714 16.760 -12.991 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.665 17.495 -8.623 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.730 17.722 -7.662 1.00 0.00 C ATOM 1553 C LEU A 99 -5.271 18.756 -6.632 1.00 0.00 C ATOM 1554 O LEU A 99 -5.821 18.830 -5.534 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.185 16.398 -7.043 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.599 15.940 -7.404 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.582 15.010 -8.618 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.291 15.299 -6.199 1.00 0.00 C ATOM 0 H LEU A 99 -4.401 16.517 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.608 18.134 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.484 15.619 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.118 16.485 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.182 16.818 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.600 14.700 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.157 15.536 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.977 14.131 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.295 14.982 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.717 14.434 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.355 16.024 -5.388 1.00 0.00 H new