USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 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 106:sc= 1.22 USER MOD Single : A 16 SER OG : rot 76:sc= 0.012 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= -0.751 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 66:sc= 0.604 USER MOD Single : A 48 ASN : amide:sc= -0.676 K(o=-0.68,f=-2.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 75:sc= 0.151 USER MOD Single : A 65 THR OG1 : rot 93:sc= 1.27 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 -21.359 -9.655 -20.360 1.00 0.00 N ATOM 96 CA GLY A 7 -21.635 -8.256 -20.080 1.00 0.00 C ATOM 97 C GLY A 7 -22.472 -8.107 -18.809 1.00 0.00 C ATOM 98 O GLY A 7 -22.076 -7.405 -17.879 1.00 0.00 O ATOM 0 HA2 GLY A 7 -20.697 -7.712 -19.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.164 -7.810 -20.922 1.00 0.00 H new ATOM 102 N TYR A 8 -23.615 -8.778 -18.808 1.00 0.00 N ATOM 103 CA TYR A 8 -24.511 -8.729 -17.666 1.00 0.00 C ATOM 104 C TYR A 8 -23.751 -8.975 -16.361 1.00 0.00 C ATOM 105 O TYR A 8 -23.888 -8.213 -15.405 1.00 0.00 O ATOM 106 CB TYR A 8 -25.522 -9.859 -17.874 1.00 0.00 C ATOM 107 CG TYR A 8 -26.804 -9.423 -18.586 1.00 0.00 C ATOM 108 CD1 TYR A 8 -27.698 -8.587 -17.949 1.00 0.00 C ATOM 109 CD2 TYR A 8 -27.066 -9.867 -19.866 1.00 0.00 C ATOM 110 CE1 TYR A 8 -28.904 -8.178 -18.619 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.273 -9.457 -20.537 1.00 0.00 C ATOM 112 CZ TYR A 8 -29.132 -8.633 -19.880 1.00 0.00 C ATOM 113 OH TYR A 8 -30.272 -8.246 -20.514 1.00 0.00 O ATOM 0 H TYR A 8 -23.941 -9.359 -19.581 1.00 0.00 H new ATOM 0 HA TYR A 8 -24.986 -7.751 -17.593 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.050 -10.653 -18.452 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.783 -10.282 -16.904 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -27.493 -8.240 -16.947 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.366 -10.522 -20.365 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -29.612 -7.524 -18.131 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.491 -9.796 -21.539 1.00 0.00 H new ATOM 0 HH TYR A 8 -30.301 -8.647 -21.408 1.00 0.00 H new ATOM 123 N ALA A 9 -22.966 -10.042 -16.363 1.00 0.00 N ATOM 124 CA ALA A 9 -22.184 -10.399 -15.191 1.00 0.00 C ATOM 125 C ALA A 9 -21.282 -9.223 -14.809 1.00 0.00 C ATOM 126 O ALA A 9 -21.047 -8.975 -13.628 1.00 0.00 O ATOM 127 CB ALA A 9 -21.389 -11.675 -15.476 1.00 0.00 C ATOM 0 H ALA A 9 -22.854 -10.671 -17.158 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.836 -10.605 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.803 -11.942 -14.597 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -22.077 -12.487 -15.714 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.721 -11.506 -16.320 1.00 0.00 H new ATOM 133 N ALA A 10 -20.801 -8.531 -15.831 1.00 0.00 N ATOM 134 CA ALA A 10 -19.930 -7.387 -15.618 1.00 0.00 C ATOM 135 C ALA A 10 -20.742 -6.239 -15.016 1.00 0.00 C ATOM 136 O ALA A 10 -20.207 -5.418 -14.272 1.00 0.00 O ATOM 137 CB ALA A 10 -19.262 -7.000 -16.938 1.00 0.00 C ATOM 0 H ALA A 10 -20.998 -8.740 -16.810 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.137 -7.635 -14.913 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.609 -6.142 -16.778 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.674 -7.840 -17.308 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.027 -6.742 -17.671 1.00 0.00 H new ATOM 143 N LEU A 11 -22.021 -6.216 -15.362 1.00 0.00 N ATOM 144 CA LEU A 11 -22.913 -5.181 -14.865 1.00 0.00 C ATOM 145 C LEU A 11 -23.110 -5.364 -13.359 1.00 0.00 C ATOM 146 O LEU A 11 -22.807 -4.465 -12.576 1.00 0.00 O ATOM 147 CB LEU A 11 -24.220 -5.173 -15.661 1.00 0.00 C ATOM 148 CG LEU A 11 -24.689 -3.807 -16.166 1.00 0.00 C ATOM 149 CD1 LEU A 11 -23.918 -3.392 -17.420 1.00 0.00 C ATOM 150 CD2 LEU A 11 -26.202 -3.797 -16.393 1.00 0.00 C ATOM 0 H LEU A 11 -22.461 -6.897 -15.980 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.472 -4.195 -15.011 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.104 -5.835 -16.519 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.006 -5.596 -15.036 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.474 -3.066 -15.396 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.271 -2.418 -17.758 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -22.854 -3.333 -17.190 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.079 -4.129 -18.207 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.510 -2.815 -16.752 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.464 -4.552 -17.134 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -26.712 -4.017 -15.455 1.00 0.00 H new ATOM 162 N VAL A 12 -23.617 -6.534 -12.999 1.00 0.00 N ATOM 163 CA VAL A 12 -23.859 -6.846 -11.601 1.00 0.00 C ATOM 164 C VAL A 12 -22.570 -6.630 -10.804 1.00 0.00 C ATOM 165 O VAL A 12 -22.589 -6.010 -9.742 1.00 0.00 O ATOM 166 CB VAL A 12 -24.412 -8.266 -11.469 1.00 0.00 C ATOM 167 CG1 VAL A 12 -24.498 -8.688 -10.001 1.00 0.00 C ATOM 168 CG2 VAL A 12 -25.774 -8.390 -12.156 1.00 0.00 C ATOM 0 H VAL A 12 -23.867 -7.277 -13.651 1.00 0.00 H new ATOM 0 HA VAL A 12 -24.614 -6.178 -11.186 1.00 0.00 H new ATOM 0 HB VAL A 12 -23.720 -8.942 -11.971 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -24.894 -9.701 -9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -23.504 -8.658 -9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -25.157 -8.006 -9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -26.145 -9.409 -12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -26.478 -7.697 -11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -25.670 -8.152 -13.215 1.00 0.00 H new ATOM 178 N THR A 13 -21.482 -7.154 -11.348 1.00 0.00 N ATOM 179 CA THR A 13 -20.187 -7.026 -10.702 1.00 0.00 C ATOM 180 C THR A 13 -19.873 -5.555 -10.422 1.00 0.00 C ATOM 181 O THR A 13 -19.942 -5.109 -9.278 1.00 0.00 O ATOM 182 CB THR A 13 -19.146 -7.712 -11.590 1.00 0.00 C ATOM 183 OG1 THR A 13 -19.478 -9.095 -11.510 1.00 0.00 O ATOM 184 CG2 THR A 13 -17.734 -7.634 -11.004 1.00 0.00 C ATOM 0 H THR A 13 -21.470 -7.668 -12.229 1.00 0.00 H new ATOM 0 HA THR A 13 -20.180 -7.517 -9.729 1.00 0.00 H new ATOM 0 HB THR A 13 -19.155 -7.254 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 13 -19.905 -9.378 -12.345 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.034 -8.136 -11.673 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.444 -6.589 -10.892 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.717 -8.122 -10.029 1.00 0.00 H new ATOM 192 N PHE A 14 -19.534 -4.843 -11.487 1.00 0.00 N ATOM 193 CA PHE A 14 -19.210 -3.431 -11.370 1.00 0.00 C ATOM 194 C PHE A 14 -20.106 -2.746 -10.337 1.00 0.00 C ATOM 195 O PHE A 14 -19.629 -1.958 -9.521 1.00 0.00 O ATOM 196 CB PHE A 14 -19.458 -2.800 -12.742 1.00 0.00 C ATOM 197 CG PHE A 14 -18.558 -1.601 -13.047 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.214 -1.773 -13.167 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.102 -0.364 -13.199 1.00 0.00 C ATOM 200 CE1 PHE A 14 -16.379 -0.660 -13.451 1.00 0.00 C ATOM 201 CE2 PHE A 14 -18.267 0.749 -13.483 1.00 0.00 C ATOM 202 CZ PHE A 14 -16.923 0.577 -13.603 1.00 0.00 C ATOM 0 H PHE A 14 -19.477 -5.217 -12.434 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.175 -3.312 -11.049 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.309 -3.558 -13.511 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.500 -2.484 -12.802 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.782 -2.756 -13.046 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.169 -0.228 -13.104 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.312 -0.796 -13.546 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.699 1.732 -13.604 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.288 1.423 -13.819 1.00 0.00 H new ATOM 212 N GLY A 15 -21.389 -3.071 -10.404 1.00 0.00 N ATOM 213 CA GLY A 15 -22.356 -2.497 -9.485 1.00 0.00 C ATOM 214 C GLY A 15 -21.980 -2.800 -8.033 1.00 0.00 C ATOM 215 O GLY A 15 -21.459 -1.936 -7.330 1.00 0.00 O ATOM 0 H GLY A 15 -21.781 -3.725 -11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.408 -1.418 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.347 -2.896 -9.699 1.00 0.00 H new ATOM 219 N SER A 16 -22.258 -4.030 -7.628 1.00 0.00 N ATOM 220 CA SER A 16 -21.955 -4.459 -6.273 1.00 0.00 C ATOM 221 C SER A 16 -20.605 -3.887 -5.833 1.00 0.00 C ATOM 222 O SER A 16 -20.498 -3.295 -4.760 1.00 0.00 O ATOM 223 CB SER A 16 -21.945 -5.985 -6.167 1.00 0.00 C ATOM 224 OG SER A 16 -23.184 -6.556 -6.579 1.00 0.00 O ATOM 0 H SER A 16 -22.690 -4.744 -8.215 1.00 0.00 H new ATOM 0 HA SER A 16 -22.735 -4.082 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.139 -6.386 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.736 -6.276 -5.137 1.00 0.00 H new ATOM 0 HG SER A 16 -23.243 -6.540 -7.557 1.00 0.00 H new ATOM 230 N ILE A 17 -19.609 -4.086 -6.684 1.00 0.00 N ATOM 231 CA ILE A 17 -18.271 -3.598 -6.396 1.00 0.00 C ATOM 232 C ILE A 17 -18.349 -2.132 -5.964 1.00 0.00 C ATOM 233 O ILE A 17 -17.836 -1.765 -4.908 1.00 0.00 O ATOM 234 CB ILE A 17 -17.345 -3.838 -7.591 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.688 -5.218 -7.506 1.00 0.00 C ATOM 236 CG2 ILE A 17 -16.311 -2.718 -7.717 1.00 0.00 C ATOM 237 CD1 ILE A 17 -17.722 -6.330 -7.694 1.00 0.00 C ATOM 0 H ILE A 17 -19.702 -4.578 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.834 -4.153 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.948 -3.823 -8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.914 -5.304 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.197 -5.332 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.666 -2.913 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -16.822 -1.765 -7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.707 -2.676 -6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.229 -7.300 -7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.481 -6.256 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.193 -6.227 -8.671 1.00 0.00 H new ATOM 249 N PHE A 18 -18.995 -1.335 -6.802 1.00 0.00 N ATOM 250 CA PHE A 18 -19.147 0.082 -6.520 1.00 0.00 C ATOM 251 C PHE A 18 -19.877 0.302 -5.193 1.00 0.00 C ATOM 252 O PHE A 18 -19.638 1.294 -4.506 1.00 0.00 O ATOM 253 CB PHE A 18 -19.985 0.677 -7.653 1.00 0.00 C ATOM 254 CG PHE A 18 -19.170 1.463 -8.683 1.00 0.00 C ATOM 255 CD1 PHE A 18 -18.045 0.918 -9.220 1.00 0.00 C ATOM 256 CD2 PHE A 18 -19.570 2.707 -9.061 1.00 0.00 C ATOM 257 CE1 PHE A 18 -17.289 1.647 -10.175 1.00 0.00 C ATOM 258 CE2 PHE A 18 -18.814 3.436 -10.016 1.00 0.00 C ATOM 259 CZ PHE A 18 -17.690 2.891 -10.553 1.00 0.00 C ATOM 0 H PHE A 18 -19.419 -1.644 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.167 0.553 -6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -20.514 -0.129 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -20.742 1.335 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.727 -0.069 -8.920 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -20.463 3.140 -8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.396 1.214 -10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -19.132 4.424 -10.316 1.00 0.00 H new ATOM 0 HZ PHE A 18 -17.115 3.446 -11.280 1.00 0.00 H new ATOM 269 N GLY A 19 -20.752 -0.640 -4.872 1.00 0.00 N ATOM 270 CA GLY A 19 -21.518 -0.562 -3.640 1.00 0.00 C ATOM 271 C GLY A 19 -20.655 -0.935 -2.433 1.00 0.00 C ATOM 272 O GLY A 19 -20.940 -0.523 -1.310 1.00 0.00 O ATOM 0 H GLY A 19 -20.947 -1.461 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -21.909 0.448 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.376 -1.231 -3.698 1.00 0.00 H new ATOM 276 N TYR A 20 -19.616 -1.711 -2.706 1.00 0.00 N ATOM 277 CA TYR A 20 -18.709 -2.144 -1.657 1.00 0.00 C ATOM 278 C TYR A 20 -17.649 -3.100 -2.208 1.00 0.00 C ATOM 279 O TYR A 20 -16.471 -2.754 -2.277 1.00 0.00 O ATOM 280 CB TYR A 20 -19.571 -2.890 -0.636 1.00 0.00 C ATOM 281 CG TYR A 20 -19.396 -2.401 0.803 1.00 0.00 C ATOM 282 CD1 TYR A 20 -19.332 -1.048 1.069 1.00 0.00 C ATOM 283 CD2 TYR A 20 -19.301 -3.312 1.835 1.00 0.00 C ATOM 284 CE1 TYR A 20 -19.167 -0.588 2.423 1.00 0.00 C ATOM 285 CE2 TYR A 20 -19.136 -2.852 3.189 1.00 0.00 C ATOM 286 CZ TYR A 20 -19.077 -1.512 3.416 1.00 0.00 C ATOM 287 OH TYR A 20 -18.921 -1.077 4.695 1.00 0.00 O ATOM 0 H TYR A 20 -19.382 -2.051 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.190 -1.290 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -20.619 -2.789 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.330 -3.952 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -19.406 -0.335 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.350 -4.371 1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -19.116 0.468 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -19.061 -3.555 4.006 1.00 0.00 H new ATOM 0 HH TYR A 20 -18.873 -1.847 5.299 1.00 0.00 H new ATOM 297 N LYS A 21 -18.107 -4.285 -2.586 1.00 0.00 N ATOM 298 CA LYS A 21 -17.213 -5.294 -3.129 1.00 0.00 C ATOM 299 C LYS A 21 -18.015 -6.553 -3.464 1.00 0.00 C ATOM 300 O LYS A 21 -19.205 -6.634 -3.163 1.00 0.00 O ATOM 301 CB LYS A 21 -16.045 -5.545 -2.173 1.00 0.00 C ATOM 302 CG LYS A 21 -14.712 -5.548 -2.925 1.00 0.00 C ATOM 303 CD LYS A 21 -13.560 -5.153 -1.999 1.00 0.00 C ATOM 304 CE LYS A 21 -12.265 -4.954 -2.790 1.00 0.00 C ATOM 305 NZ LYS A 21 -11.548 -6.240 -2.942 1.00 0.00 N ATOM 0 H LYS A 21 -19.085 -4.569 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.764 -4.945 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.030 -4.775 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.183 -6.500 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.527 -6.539 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.762 -4.855 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.812 -4.234 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.414 -5.925 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.492 -4.539 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.627 -4.233 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.672 -6.087 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.315 -6.621 -2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.153 -6.917 -3.449 1.00 0.00 H new ATOM 319 N ARG A 22 -17.331 -7.504 -4.083 1.00 0.00 N ATOM 320 CA ARG A 22 -17.965 -8.755 -4.462 1.00 0.00 C ATOM 321 C ARG A 22 -16.958 -9.670 -5.163 1.00 0.00 C ATOM 322 O ARG A 22 -17.133 -10.012 -6.331 1.00 0.00 O ATOM 323 CB ARG A 22 -19.154 -8.510 -5.393 1.00 0.00 C ATOM 324 CG ARG A 22 -20.216 -9.599 -5.225 1.00 0.00 C ATOM 325 CD ARG A 22 -21.286 -9.169 -4.219 1.00 0.00 C ATOM 326 NE ARG A 22 -20.776 -9.326 -2.839 1.00 0.00 N ATOM 327 CZ ARG A 22 -20.504 -10.507 -2.268 1.00 0.00 C ATOM 328 NH1 ARG A 22 -20.691 -11.642 -2.955 1.00 0.00 N ATOM 329 NH2 ARG A 22 -20.044 -10.553 -1.010 1.00 0.00 N ATOM 0 H ARG A 22 -16.344 -7.433 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.324 -9.234 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.592 -7.535 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.812 -8.487 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.681 -9.811 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.745 -10.523 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.567 -8.131 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -22.186 -9.770 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.622 -8.482 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.040 -11.607 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.484 -12.541 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.901 -9.689 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.837 -11.452 -0.575 1.00 0.00 H new ATOM 343 N ARG A 23 -15.925 -10.039 -4.419 1.00 0.00 N ATOM 344 CA ARG A 23 -14.890 -10.907 -4.954 1.00 0.00 C ATOM 345 C ARG A 23 -14.224 -11.696 -3.825 1.00 0.00 C ATOM 346 O ARG A 23 -14.401 -12.909 -3.723 1.00 0.00 O ATOM 347 CB ARG A 23 -13.826 -10.100 -5.700 1.00 0.00 C ATOM 348 CG ARG A 23 -13.829 -10.436 -7.193 1.00 0.00 C ATOM 349 CD ARG A 23 -12.962 -9.451 -7.979 1.00 0.00 C ATOM 350 NE ARG A 23 -12.019 -10.188 -8.848 1.00 0.00 N ATOM 351 CZ ARG A 23 -12.394 -11.042 -9.810 1.00 0.00 C ATOM 352 NH1 ARG A 23 -13.696 -11.270 -10.033 1.00 0.00 N ATOM 353 NH2 ARG A 23 -11.469 -11.667 -10.551 1.00 0.00 N ATOM 0 H ARG A 23 -15.783 -9.753 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.363 -11.596 -5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.010 -9.034 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.843 -10.310 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.459 -11.450 -7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.850 -10.410 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.594 -8.800 -8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.410 -8.810 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.020 -10.037 -8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.401 -10.793 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.982 -11.920 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.478 -11.493 -10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.756 -12.317 -11.283 1.00 0.00 H new ATOM 367 N GLY A 24 -13.471 -10.975 -3.007 1.00 0.00 N ATOM 368 CA GLY A 24 -12.778 -11.593 -1.889 1.00 0.00 C ATOM 369 C GLY A 24 -11.865 -12.724 -2.368 1.00 0.00 C ATOM 370 O GLY A 24 -12.319 -13.848 -2.573 1.00 0.00 O ATOM 0 H GLY A 24 -13.326 -9.969 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.188 -10.843 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.505 -11.984 -1.177 1.00 0.00 H new ATOM 374 N GLY A 25 -10.594 -12.386 -2.532 1.00 0.00 N ATOM 375 CA GLY A 25 -9.614 -13.359 -2.983 1.00 0.00 C ATOM 376 C GLY A 25 -8.496 -13.529 -1.952 1.00 0.00 C ATOM 377 O GLY A 25 -8.420 -14.553 -1.276 1.00 0.00 O ATOM 0 H GLY A 25 -10.221 -11.452 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.102 -14.318 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.190 -13.039 -3.935 1.00 0.00 H new ATOM 381 N VAL A 26 -7.655 -12.508 -1.865 1.00 0.00 N ATOM 382 CA VAL A 26 -6.545 -12.531 -0.928 1.00 0.00 C ATOM 383 C VAL A 26 -6.655 -11.333 0.017 1.00 0.00 C ATOM 384 O VAL A 26 -6.394 -10.199 -0.380 1.00 0.00 O ATOM 385 CB VAL A 26 -5.218 -12.571 -1.690 1.00 0.00 C ATOM 386 CG1 VAL A 26 -5.165 -11.474 -2.755 1.00 0.00 C ATOM 387 CG2 VAL A 26 -4.032 -12.463 -0.730 1.00 0.00 C ATOM 0 H VAL A 26 -7.720 -11.660 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.581 -13.432 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.151 -13.533 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.212 -11.524 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.980 -11.616 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.265 -10.499 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.101 -12.494 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.092 -11.523 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.056 -13.295 -0.027 1.00 0.00 H new ATOM 397 N PRO A 27 -7.054 -11.634 1.282 1.00 0.00 N ATOM 398 CA PRO A 27 -7.202 -10.595 2.287 1.00 0.00 C ATOM 399 C PRO A 27 -5.838 -10.122 2.792 1.00 0.00 C ATOM 400 O PRO A 27 -5.163 -10.837 3.531 1.00 0.00 O ATOM 401 CB PRO A 27 -8.055 -11.222 3.378 1.00 0.00 C ATOM 402 CG PRO A 27 -7.963 -12.725 3.167 1.00 0.00 C ATOM 403 CD PRO A 27 -7.372 -12.966 1.788 1.00 0.00 C ATOM 0 HA PRO A 27 -7.677 -9.696 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.691 -10.943 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.088 -10.881 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.338 -13.181 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.949 -13.183 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.481 -13.592 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.081 -13.478 1.137 1.00 0.00 H new ATOM 411 N SER A 28 -5.472 -8.919 2.374 1.00 0.00 N ATOM 412 CA SER A 28 -4.200 -8.342 2.774 1.00 0.00 C ATOM 413 C SER A 28 -4.056 -6.936 2.188 1.00 0.00 C ATOM 414 O SER A 28 -3.964 -5.957 2.927 1.00 0.00 O ATOM 415 CB SER A 28 -3.031 -9.224 2.332 1.00 0.00 C ATOM 416 OG SER A 28 -2.306 -8.647 1.250 1.00 0.00 O ATOM 0 H SER A 28 -6.035 -8.328 1.762 1.00 0.00 H new ATOM 0 HA SER A 28 -4.180 -8.279 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.358 -9.384 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.408 -10.203 2.035 1.00 0.00 H new ATOM 0 HG SER A 28 -1.567 -9.240 0.998 1.00 0.00 H new ATOM 422 N LEU A 29 -4.040 -6.881 0.864 1.00 0.00 N ATOM 423 CA LEU A 29 -3.908 -5.611 0.170 1.00 0.00 C ATOM 424 C LEU A 29 -4.782 -4.563 0.862 1.00 0.00 C ATOM 425 O LEU A 29 -4.324 -3.457 1.144 1.00 0.00 O ATOM 426 CB LEU A 29 -4.214 -5.780 -1.320 1.00 0.00 C ATOM 427 CG LEU A 29 -5.638 -6.220 -1.666 1.00 0.00 C ATOM 428 CD1 LEU A 29 -6.541 -5.010 -1.912 1.00 0.00 C ATOM 429 CD2 LEU A 29 -5.640 -7.187 -2.851 1.00 0.00 C ATOM 0 H LEU A 29 -4.116 -7.695 0.254 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.880 -5.254 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.016 -4.833 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.519 -6.511 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.047 -6.758 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.547 -5.351 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.575 -4.393 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.145 -4.423 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.664 -7.484 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.205 -6.696 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.053 -8.070 -2.601 1.00 0.00 H new ATOM 441 N ILE A 30 -6.024 -4.948 1.115 1.00 0.00 N ATOM 442 CA ILE A 30 -6.966 -4.056 1.769 1.00 0.00 C ATOM 443 C ILE A 30 -6.317 -3.464 3.021 1.00 0.00 C ATOM 444 O ILE A 30 -6.306 -2.248 3.204 1.00 0.00 O ATOM 445 CB ILE A 30 -8.286 -4.778 2.043 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.941 -5.239 0.739 1.00 0.00 C ATOM 447 CG2 ILE A 30 -9.225 -3.906 2.879 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.411 -4.043 -0.091 1.00 0.00 C ATOM 0 H ILE A 30 -6.400 -5.866 0.879 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.216 -3.221 1.115 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.070 -5.672 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.231 -5.831 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.789 -5.887 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.156 -4.443 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.751 -3.671 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.438 -2.982 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.873 -4.398 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -10.139 -3.467 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.557 -3.410 -0.334 1.00 0.00 H new ATOM 460 N ALA A 31 -5.791 -4.352 3.852 1.00 0.00 N ATOM 461 CA ALA A 31 -5.141 -3.933 5.082 1.00 0.00 C ATOM 462 C ALA A 31 -4.013 -2.954 4.750 1.00 0.00 C ATOM 463 O ALA A 31 -3.745 -2.029 5.515 1.00 0.00 O ATOM 464 CB ALA A 31 -4.640 -5.165 5.840 1.00 0.00 C ATOM 0 H ALA A 31 -5.802 -5.360 3.697 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.846 -3.415 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.152 -4.851 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.483 -5.814 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.927 -5.709 5.220 1.00 0.00 H new ATOM 470 N GLY A 32 -3.384 -3.191 3.609 1.00 0.00 N ATOM 471 CA GLY A 32 -2.291 -2.341 3.166 1.00 0.00 C ATOM 472 C GLY A 32 -2.804 -0.961 2.752 1.00 0.00 C ATOM 473 O GLY A 32 -2.087 0.032 2.869 1.00 0.00 O ATOM 0 H GLY A 32 -3.610 -3.959 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.559 -2.236 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.778 -2.810 2.326 1.00 0.00 H new ATOM 477 N LEU A 33 -4.040 -0.942 2.275 1.00 0.00 N ATOM 478 CA LEU A 33 -4.657 0.300 1.843 1.00 0.00 C ATOM 479 C LEU A 33 -5.103 1.097 3.070 1.00 0.00 C ATOM 480 O LEU A 33 -5.008 2.324 3.086 1.00 0.00 O ATOM 481 CB LEU A 33 -5.785 0.020 0.848 1.00 0.00 C ATOM 482 CG LEU A 33 -5.479 0.334 -0.618 1.00 0.00 C ATOM 483 CD1 LEU A 33 -4.829 -0.866 -1.311 1.00 0.00 C ATOM 484 CD2 LEU A 33 -6.735 0.807 -1.352 1.00 0.00 C ATOM 0 H LEU A 33 -4.631 -1.768 2.178 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.936 0.917 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.057 -1.033 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.659 0.598 1.148 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.761 1.153 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.622 -0.617 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.897 -1.117 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.505 -1.720 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.489 1.023 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.495 0.026 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.117 1.709 -0.874 1.00 0.00 H new ATOM 496 N PHE A 34 -5.580 0.368 4.068 1.00 0.00 N ATOM 497 CA PHE A 34 -6.041 0.992 5.297 1.00 0.00 C ATOM 498 C PHE A 34 -4.874 1.607 6.071 1.00 0.00 C ATOM 499 O PHE A 34 -4.989 2.711 6.601 1.00 0.00 O ATOM 500 CB PHE A 34 -6.677 -0.110 6.146 1.00 0.00 C ATOM 501 CG PHE A 34 -8.199 -0.198 6.014 1.00 0.00 C ATOM 502 CD1 PHE A 34 -8.757 -0.646 4.858 1.00 0.00 C ATOM 503 CD2 PHE A 34 -8.994 0.173 7.054 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.169 -0.727 4.736 1.00 0.00 C ATOM 505 CE2 PHE A 34 -10.407 0.092 6.931 1.00 0.00 C ATOM 506 CZ PHE A 34 -10.964 -0.357 5.775 1.00 0.00 C ATOM 0 H PHE A 34 -5.657 -0.649 4.051 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.749 1.788 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.242 -1.069 5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.423 0.059 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.126 -0.940 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.551 0.529 7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.612 -1.083 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.039 0.387 7.756 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.038 -0.420 5.682 1.00 0.00 H new ATOM 516 N VAL A 35 -3.777 0.866 6.112 1.00 0.00 N ATOM 517 CA VAL A 35 -2.589 1.325 6.813 1.00 0.00 C ATOM 518 C VAL A 35 -1.970 2.495 6.046 1.00 0.00 C ATOM 519 O VAL A 35 -1.635 3.521 6.636 1.00 0.00 O ATOM 520 CB VAL A 35 -1.617 0.160 7.013 1.00 0.00 C ATOM 521 CG1 VAL A 35 -1.080 -0.343 5.672 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.474 0.556 7.949 1.00 0.00 C ATOM 0 H VAL A 35 -3.685 -0.049 5.671 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.848 1.689 7.807 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.165 -0.658 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.392 -1.171 5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.910 -0.683 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.555 0.466 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.203 -0.289 8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.072 1.397 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.881 0.843 8.919 1.00 0.00 H new ATOM 532 N GLY A 36 -1.836 2.301 4.742 1.00 0.00 N ATOM 533 CA GLY A 36 -1.263 3.328 3.888 1.00 0.00 C ATOM 534 C GLY A 36 -2.061 4.629 3.984 1.00 0.00 C ATOM 535 O GLY A 36 -1.489 5.698 4.194 1.00 0.00 O ATOM 0 H GLY A 36 -2.114 1.448 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.228 3.510 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.249 2.981 2.855 1.00 0.00 H new ATOM 539 N CYS A 37 -3.369 4.497 3.826 1.00 0.00 N ATOM 540 CA CYS A 37 -4.252 5.649 3.893 1.00 0.00 C ATOM 541 C CYS A 37 -4.063 6.321 5.254 1.00 0.00 C ATOM 542 O CYS A 37 -3.593 7.456 5.330 1.00 0.00 O ATOM 543 CB CYS A 37 -5.711 5.260 3.646 1.00 0.00 C ATOM 544 SG CYS A 37 -6.168 5.613 1.910 1.00 0.00 S ATOM 0 H CYS A 37 -3.840 3.609 3.652 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.994 6.353 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.855 4.201 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.363 5.813 4.322 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.408 5.277 1.711 1.00 0.00 H new ATOM 550 N LEU A 38 -4.438 5.593 6.295 1.00 0.00 N ATOM 551 CA LEU A 38 -4.315 6.105 7.650 1.00 0.00 C ATOM 552 C LEU A 38 -2.989 6.854 7.789 1.00 0.00 C ATOM 553 O LEU A 38 -2.932 7.911 8.416 1.00 0.00 O ATOM 554 CB LEU A 38 -4.494 4.976 8.667 1.00 0.00 C ATOM 555 CG LEU A 38 -5.002 5.392 10.049 1.00 0.00 C ATOM 556 CD1 LEU A 38 -6.483 5.045 10.215 1.00 0.00 C ATOM 557 CD2 LEU A 38 -4.142 4.781 11.157 1.00 0.00 C ATOM 0 H LEU A 38 -4.827 4.653 6.228 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.109 6.821 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.189 4.246 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.536 4.470 8.791 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.913 6.475 10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.820 5.351 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.066 5.567 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.620 3.970 10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.525 5.093 12.129 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.175 3.694 11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.112 5.120 11.047 1.00 0.00 H new ATOM 569 N ALA A 39 -1.955 6.277 7.195 1.00 0.00 N ATOM 570 CA ALA A 39 -0.632 6.877 7.245 1.00 0.00 C ATOM 571 C ALA A 39 -0.699 8.295 6.674 1.00 0.00 C ATOM 572 O ALA A 39 -0.528 9.271 7.404 1.00 0.00 O ATOM 573 CB ALA A 39 0.360 5.991 6.490 1.00 0.00 C ATOM 0 H ALA A 39 -2.006 5.400 6.676 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.283 6.952 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.352 6.441 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.392 5.004 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.044 5.895 5.451 1.00 0.00 H new ATOM 579 N GLY A 40 -0.947 8.365 5.374 1.00 0.00 N ATOM 580 CA GLY A 40 -1.038 9.647 4.697 1.00 0.00 C ATOM 581 C GLY A 40 -2.144 10.511 5.305 1.00 0.00 C ATOM 582 O GLY A 40 -1.864 11.503 5.977 1.00 0.00 O ATOM 0 H GLY A 40 -1.088 7.554 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.084 10.169 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.236 9.489 3.637 1.00 0.00 H new ATOM 586 N TYR A 41 -3.378 10.103 5.048 1.00 0.00 N ATOM 587 CA TYR A 41 -4.528 10.827 5.561 1.00 0.00 C ATOM 588 C TYR A 41 -4.299 11.264 7.010 1.00 0.00 C ATOM 589 O TYR A 41 -4.294 12.458 7.308 1.00 0.00 O ATOM 590 CB TYR A 41 -5.700 9.844 5.518 1.00 0.00 C ATOM 591 CG TYR A 41 -6.774 10.202 4.488 1.00 0.00 C ATOM 592 CD1 TYR A 41 -6.575 9.912 3.154 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.942 10.815 4.895 1.00 0.00 C ATOM 594 CE1 TYR A 41 -7.586 10.249 2.185 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.953 11.152 3.926 1.00 0.00 C ATOM 596 CZ TYR A 41 -8.725 10.852 2.620 1.00 0.00 C ATOM 597 OH TYR A 41 -9.680 11.170 1.705 1.00 0.00 O ATOM 0 H TYR A 41 -3.606 9.280 4.491 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.712 11.723 4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.317 8.847 5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.159 9.798 6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.661 9.432 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.098 11.042 5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.443 10.028 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.871 11.632 4.230 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.439 11.594 2.158 1.00 0.00 H new ATOM 607 N GLY A 42 -4.115 10.274 7.871 1.00 0.00 N ATOM 608 CA GLY A 42 -3.885 10.542 9.281 1.00 0.00 C ATOM 609 C GLY A 42 -2.806 11.610 9.468 1.00 0.00 C ATOM 610 O GLY A 42 -3.007 12.579 10.199 1.00 0.00 O ATOM 0 H GLY A 42 -4.120 9.285 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.813 10.872 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.584 9.624 9.785 1.00 0.00 H new ATOM 614 N ALA A 43 -1.685 11.397 8.794 1.00 0.00 N ATOM 615 CA ALA A 43 -0.574 12.330 8.877 1.00 0.00 C ATOM 616 C ALA A 43 -1.080 13.745 8.591 1.00 0.00 C ATOM 617 O ALA A 43 -0.628 14.707 9.212 1.00 0.00 O ATOM 618 CB ALA A 43 0.529 11.898 7.908 1.00 0.00 C ATOM 0 H ALA A 43 -1.522 10.592 8.188 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.146 12.329 9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.362 12.598 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.874 10.898 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.137 11.890 6.891 1.00 0.00 H new ATOM 624 N TYR A 44 -2.010 13.829 7.652 1.00 0.00 N ATOM 625 CA TYR A 44 -2.582 15.111 7.277 1.00 0.00 C ATOM 626 C TYR A 44 -3.579 15.596 8.331 1.00 0.00 C ATOM 627 O TYR A 44 -3.755 16.799 8.517 1.00 0.00 O ATOM 628 CB TYR A 44 -3.325 14.872 5.961 1.00 0.00 C ATOM 629 CG TYR A 44 -3.657 16.153 5.192 1.00 0.00 C ATOM 630 CD1 TYR A 44 -4.725 16.935 5.583 1.00 0.00 C ATOM 631 CD2 TYR A 44 -2.889 16.526 4.108 1.00 0.00 C ATOM 632 CE1 TYR A 44 -5.038 18.140 4.860 1.00 0.00 C ATOM 633 CE2 TYR A 44 -3.201 17.731 3.385 1.00 0.00 C ATOM 634 CZ TYR A 44 -4.260 18.479 3.796 1.00 0.00 C ATOM 635 OH TYR A 44 -4.555 19.617 3.113 1.00 0.00 O ATOM 0 H TYR A 44 -2.382 13.030 7.139 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.802 15.867 7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.719 14.226 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.251 14.336 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.326 16.643 6.431 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.054 15.914 3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.871 18.761 5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.607 18.034 2.535 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.916 19.733 2.380 1.00 0.00 H new ATOM 645 N ARG A 45 -4.206 14.635 8.993 1.00 0.00 N ATOM 646 CA ARG A 45 -5.181 14.949 10.024 1.00 0.00 C ATOM 647 C ARG A 45 -4.473 15.361 11.316 1.00 0.00 C ATOM 648 O ARG A 45 -4.977 16.195 12.066 1.00 0.00 O ATOM 649 CB ARG A 45 -6.089 13.751 10.307 1.00 0.00 C ATOM 650 CG ARG A 45 -7.539 14.196 10.502 1.00 0.00 C ATOM 651 CD ARG A 45 -8.403 13.793 9.305 1.00 0.00 C ATOM 652 NE ARG A 45 -9.497 14.771 9.118 1.00 0.00 N ATOM 653 CZ ARG A 45 -10.645 14.756 9.810 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.855 13.813 10.738 1.00 0.00 N ATOM 655 NH2 ARG A 45 -11.582 15.684 9.573 1.00 0.00 N ATOM 0 H ARG A 45 -4.058 13.638 8.836 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.792 15.775 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.030 13.043 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.742 13.230 11.199 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.941 13.749 11.412 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.576 15.277 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.791 13.743 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.817 12.797 9.464 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.370 15.503 8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.141 13.107 10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.728 13.801 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.422 16.402 8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.456 15.673 10.099 1.00 0.00 H new ATOM 669 N VAL A 46 -3.315 14.756 11.537 1.00 0.00 N ATOM 670 CA VAL A 46 -2.533 15.049 12.726 1.00 0.00 C ATOM 671 C VAL A 46 -1.434 16.054 12.374 1.00 0.00 C ATOM 672 O VAL A 46 -0.284 15.890 12.778 1.00 0.00 O ATOM 673 CB VAL A 46 -1.986 13.752 13.325 1.00 0.00 C ATOM 674 CG1 VAL A 46 -0.925 13.131 12.414 1.00 0.00 C ATOM 675 CG2 VAL A 46 -1.430 13.989 14.731 1.00 0.00 C ATOM 0 H VAL A 46 -2.900 14.064 10.913 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.160 15.507 13.492 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.813 13.046 13.406 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.553 12.210 12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.365 12.908 11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.100 13.832 12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.048 13.051 15.134 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.623 14.720 14.685 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.223 14.365 15.377 1.00 0.00 H new ATOM 685 N SER A 47 -1.828 17.074 11.624 1.00 0.00 N ATOM 686 CA SER A 47 -0.891 18.105 11.213 1.00 0.00 C ATOM 687 C SER A 47 -1.536 19.008 10.159 1.00 0.00 C ATOM 688 O SER A 47 -2.695 18.813 9.795 1.00 0.00 O ATOM 689 CB SER A 47 0.400 17.492 10.668 1.00 0.00 C ATOM 690 OG SER A 47 1.472 17.585 11.602 1.00 0.00 O ATOM 0 H SER A 47 -2.783 17.208 11.291 1.00 0.00 H new ATOM 0 HA SER A 47 -0.636 18.703 12.088 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.227 16.445 10.418 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.680 17.998 9.744 1.00 0.00 H new ATOM 0 HG SER A 47 1.275 17.027 12.383 1.00 0.00 H new ATOM 696 N ASN A 48 -0.758 19.976 9.699 1.00 0.00 N ATOM 697 CA ASN A 48 -1.239 20.909 8.694 1.00 0.00 C ATOM 698 C ASN A 48 -0.188 21.051 7.592 1.00 0.00 C ATOM 699 O ASN A 48 0.255 22.159 7.290 1.00 0.00 O ATOM 700 CB ASN A 48 -1.480 22.294 9.299 1.00 0.00 C ATOM 701 CG ASN A 48 -0.190 22.865 9.891 1.00 0.00 C ATOM 702 OD1 ASN A 48 0.430 22.287 10.768 1.00 0.00 O ATOM 703 ND2 ASN A 48 0.177 24.030 9.365 1.00 0.00 N ATOM 0 H ASN A 48 0.202 20.135 10.004 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.176 20.522 8.295 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.862 22.968 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.243 22.228 10.075 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.024 24.494 9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.388 24.460 8.633 1.00 0.00 H new ATOM 710 N ASP A 49 0.182 19.914 7.020 1.00 0.00 N ATOM 711 CA ASP A 49 1.172 19.898 5.958 1.00 0.00 C ATOM 712 C ASP A 49 1.611 18.455 5.697 1.00 0.00 C ATOM 713 O ASP A 49 1.118 17.528 6.337 1.00 0.00 O ATOM 714 CB ASP A 49 2.412 20.706 6.348 1.00 0.00 C ATOM 715 CG ASP A 49 2.942 20.436 7.757 1.00 0.00 C ATOM 716 OD1 ASP A 49 3.247 19.289 8.116 1.00 0.00 O ATOM 717 OD2 ASP A 49 3.040 21.478 8.511 1.00 0.00 O ATOM 0 H ASP A 49 -0.187 18.997 7.273 1.00 0.00 H new ATOM 0 HA ASP A 49 0.720 20.338 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.205 20.495 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.178 21.767 6.261 1.00 0.00 H new ATOM 780 N VAL A 53 4.042 11.581 -0.015 1.00 0.00 N ATOM 781 CA VAL A 53 5.253 11.652 -0.816 1.00 0.00 C ATOM 782 C VAL A 53 6.328 10.765 -0.185 1.00 0.00 C ATOM 783 O VAL A 53 6.654 9.704 -0.717 1.00 0.00 O ATOM 784 CB VAL A 53 5.694 13.108 -0.970 1.00 0.00 C ATOM 785 CG1 VAL A 53 7.167 13.195 -1.374 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.806 13.847 -1.974 1.00 0.00 C ATOM 0 HA VAL A 53 5.069 11.275 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 53 5.583 13.596 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.455 14.241 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.783 12.723 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.314 12.683 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.141 14.880 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.871 13.358 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.773 13.830 -1.627 1.00 0.00 H new ATOM 796 N LYS A 54 6.850 11.231 0.940 1.00 0.00 N ATOM 797 CA LYS A 54 7.882 10.494 1.648 1.00 0.00 C ATOM 798 C LYS A 54 7.226 9.446 2.550 1.00 0.00 C ATOM 799 O LYS A 54 7.694 8.312 2.631 1.00 0.00 O ATOM 800 CB LYS A 54 8.810 11.454 2.396 1.00 0.00 C ATOM 801 CG LYS A 54 10.049 11.781 1.560 1.00 0.00 C ATOM 802 CD LYS A 54 10.280 13.292 1.490 1.00 0.00 C ATOM 803 CE LYS A 54 11.138 13.770 2.664 1.00 0.00 C ATOM 804 NZ LYS A 54 12.137 14.761 2.206 1.00 0.00 N ATOM 0 H LYS A 54 6.577 12.110 1.379 1.00 0.00 H new ATOM 0 HA LYS A 54 8.518 9.957 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.274 12.373 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.113 11.008 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.923 11.296 1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.929 11.381 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.770 13.546 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.322 13.811 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.502 14.213 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.644 12.920 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.711 15.075 3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.755 14.326 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.649 15.579 1.790 1.00 0.00 H new ATOM 818 N VAL A 55 6.153 9.864 3.205 1.00 0.00 N ATOM 819 CA VAL A 55 5.428 8.976 4.097 1.00 0.00 C ATOM 820 C VAL A 55 5.297 7.598 3.444 1.00 0.00 C ATOM 821 O VAL A 55 5.643 6.585 4.049 1.00 0.00 O ATOM 822 CB VAL A 55 4.077 9.593 4.466 1.00 0.00 C ATOM 823 CG1 VAL A 55 4.263 10.838 5.336 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.262 9.916 3.213 1.00 0.00 C ATOM 0 H VAL A 55 5.768 10.806 3.136 1.00 0.00 H new ATOM 0 HA VAL A 55 5.976 8.843 5.030 1.00 0.00 H new ATOM 0 HB VAL A 55 3.520 8.858 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.288 11.257 5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.785 10.566 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.848 11.579 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.307 10.353 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.812 10.624 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.085 9.001 2.648 1.00 0.00 H new ATOM 834 N SER A 56 4.797 7.606 2.217 1.00 0.00 N ATOM 835 CA SER A 56 4.616 6.370 1.475 1.00 0.00 C ATOM 836 C SER A 56 5.895 5.533 1.533 1.00 0.00 C ATOM 837 O SER A 56 5.847 4.337 1.817 1.00 0.00 O ATOM 838 CB SER A 56 4.232 6.651 0.021 1.00 0.00 C ATOM 839 OG SER A 56 2.831 6.870 -0.128 1.00 0.00 O ATOM 0 H SER A 56 4.512 8.449 1.718 1.00 0.00 H new ATOM 0 HA SER A 56 3.802 5.811 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.776 7.526 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.536 5.811 -0.603 1.00 0.00 H new ATOM 0 HG SER A 56 2.626 7.048 -1.070 1.00 0.00 H new ATOM 845 N LEU A 57 7.010 6.194 1.260 1.00 0.00 N ATOM 846 CA LEU A 57 8.300 5.526 1.277 1.00 0.00 C ATOM 847 C LEU A 57 8.531 4.908 2.658 1.00 0.00 C ATOM 848 O LEU A 57 9.092 3.819 2.769 1.00 0.00 O ATOM 849 CB LEU A 57 9.408 6.487 0.841 1.00 0.00 C ATOM 850 CG LEU A 57 10.627 5.848 0.175 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.870 6.445 -1.212 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.863 5.958 1.071 1.00 0.00 C ATOM 0 H LEU A 57 7.047 7.186 1.026 1.00 0.00 H new ATOM 0 HA LEU A 57 8.315 4.710 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.980 7.213 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.746 7.041 1.717 1.00 0.00 H new ATOM 0 HG LEU A 57 10.423 4.786 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.743 5.973 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.997 6.271 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.044 7.517 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.715 5.496 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.081 7.009 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.674 5.448 2.016 1.00 0.00 H new ATOM 864 N PHE A 58 8.086 5.630 3.676 1.00 0.00 N ATOM 865 CA PHE A 58 8.237 5.166 5.045 1.00 0.00 C ATOM 866 C PHE A 58 7.262 4.026 5.348 1.00 0.00 C ATOM 867 O PHE A 58 7.489 3.238 6.264 1.00 0.00 O ATOM 868 CB PHE A 58 7.915 6.352 5.957 1.00 0.00 C ATOM 869 CG PHE A 58 8.367 6.162 7.406 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.692 6.173 7.712 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.444 5.983 8.389 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.112 5.997 9.057 1.00 0.00 C ATOM 873 CE2 PHE A 58 7.864 5.808 9.734 1.00 0.00 C ATOM 874 CZ PHE A 58 9.189 5.818 10.040 1.00 0.00 C ATOM 0 H PHE A 58 7.621 6.533 3.580 1.00 0.00 H new ATOM 0 HA PHE A 58 9.249 4.794 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.389 7.247 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.839 6.527 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.425 6.316 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.392 5.974 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.164 6.005 9.300 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.131 5.667 10.514 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.508 5.684 11.063 1.00 0.00 H new ATOM 884 N THR A 59 6.198 3.974 4.560 1.00 0.00 N ATOM 885 CA THR A 59 5.189 2.944 4.732 1.00 0.00 C ATOM 886 C THR A 59 5.686 1.611 4.170 1.00 0.00 C ATOM 887 O THR A 59 5.534 0.569 4.806 1.00 0.00 O ATOM 888 CB THR A 59 3.895 3.435 4.079 1.00 0.00 C ATOM 889 OG1 THR A 59 3.466 4.503 4.919 1.00 0.00 O ATOM 890 CG2 THR A 59 2.765 2.408 4.174 1.00 0.00 C ATOM 0 H THR A 59 6.013 4.629 3.800 1.00 0.00 H new ATOM 0 HA THR A 59 4.988 2.760 5.787 1.00 0.00 H new ATOM 0 HB THR A 59 4.084 3.671 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.030 5.289 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.870 2.806 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.066 1.488 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.553 2.197 5.222 1.00 0.00 H new ATOM 898 N ALA A 60 6.269 1.687 2.983 1.00 0.00 N ATOM 899 CA ALA A 60 6.789 0.499 2.327 1.00 0.00 C ATOM 900 C ALA A 60 8.002 -0.018 3.104 1.00 0.00 C ATOM 901 O ALA A 60 8.092 -1.208 3.401 1.00 0.00 O ATOM 902 CB ALA A 60 7.126 0.826 0.871 1.00 0.00 C ATOM 0 H ALA A 60 6.393 2.553 2.458 1.00 0.00 H new ATOM 0 HA ALA A 60 6.041 -0.293 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.516 -0.065 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.226 1.161 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.877 1.616 0.840 1.00 0.00 H new ATOM 908 N PHE A 61 8.904 0.903 3.411 1.00 0.00 N ATOM 909 CA PHE A 61 10.107 0.555 4.148 1.00 0.00 C ATOM 910 C PHE A 61 9.760 -0.040 5.514 1.00 0.00 C ATOM 911 O PHE A 61 10.233 -1.121 5.862 1.00 0.00 O ATOM 912 CB PHE A 61 10.895 1.850 4.354 1.00 0.00 C ATOM 913 CG PHE A 61 12.399 1.641 4.542 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.867 1.052 5.674 1.00 0.00 C ATOM 915 CD2 PHE A 61 13.267 2.043 3.575 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.263 0.857 5.848 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.663 1.848 3.749 1.00 0.00 C ATOM 918 CZ PHE A 61 15.131 1.259 4.882 1.00 0.00 C ATOM 0 H PHE A 61 8.826 1.889 3.163 1.00 0.00 H new ATOM 0 HA PHE A 61 10.682 -0.187 3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.734 2.502 3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.499 2.369 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.177 0.732 6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.895 2.510 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.635 0.389 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 61 15.353 2.167 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 61 16.193 1.111 5.014 1.00 0.00 H new ATOM 928 N PHE A 62 8.937 0.691 6.251 1.00 0.00 N ATOM 929 CA PHE A 62 8.522 0.249 7.571 1.00 0.00 C ATOM 930 C PHE A 62 7.714 -1.048 7.486 1.00 0.00 C ATOM 931 O PHE A 62 7.843 -1.921 8.343 1.00 0.00 O ATOM 932 CB PHE A 62 7.635 1.351 8.154 1.00 0.00 C ATOM 933 CG PHE A 62 7.175 1.086 9.589 1.00 0.00 C ATOM 934 CD1 PHE A 62 8.093 0.934 10.580 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.847 1.003 9.873 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.666 0.688 11.912 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.420 0.757 11.204 1.00 0.00 C ATOM 938 CZ PHE A 62 6.339 0.605 12.196 1.00 0.00 C ATOM 0 H PHE A 62 8.546 1.587 5.959 1.00 0.00 H new ATOM 0 HA PHE A 62 9.398 0.060 8.192 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.180 2.294 8.127 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.758 1.471 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.147 1.000 10.354 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.118 1.124 9.086 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.395 0.567 12.699 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.366 0.690 11.429 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.014 0.418 13.209 1.00 0.00 H new ATOM 948 N LEU A 63 6.899 -1.132 6.445 1.00 0.00 N ATOM 949 CA LEU A 63 6.070 -2.307 6.236 1.00 0.00 C ATOM 950 C LEU A 63 6.964 -3.545 6.133 1.00 0.00 C ATOM 951 O LEU A 63 6.988 -4.375 7.040 1.00 0.00 O ATOM 952 CB LEU A 63 5.153 -2.109 5.028 1.00 0.00 C ATOM 953 CG LEU A 63 4.339 -3.330 4.596 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.054 -3.452 5.417 1.00 0.00 C ATOM 955 CD2 LEU A 63 4.058 -3.297 3.092 1.00 0.00 C ATOM 0 H LEU A 63 6.795 -0.405 5.737 1.00 0.00 H new ATOM 0 HA LEU A 63 5.407 -2.461 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.461 -1.297 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.762 -1.786 4.184 1.00 0.00 H new ATOM 0 HG LEU A 63 4.932 -4.223 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.495 -4.328 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.305 -3.556 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.445 -2.559 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.478 -4.176 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.494 -2.397 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.001 -3.295 2.546 1.00 0.00 H new ATOM 967 N ALA A 64 7.677 -3.629 5.019 1.00 0.00 N ATOM 968 CA ALA A 64 8.570 -4.751 4.785 1.00 0.00 C ATOM 969 C ALA A 64 9.382 -5.024 6.053 1.00 0.00 C ATOM 970 O ALA A 64 9.517 -6.172 6.472 1.00 0.00 O ATOM 971 CB ALA A 64 9.459 -4.452 3.577 1.00 0.00 C ATOM 0 H ALA A 64 7.654 -2.938 4.269 1.00 0.00 H new ATOM 0 HA ALA A 64 8.002 -5.653 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.129 -5.294 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.836 -4.294 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.047 -3.555 3.771 1.00 0.00 H new ATOM 977 N THR A 65 9.900 -3.949 6.629 1.00 0.00 N ATOM 978 CA THR A 65 10.695 -4.058 7.840 1.00 0.00 C ATOM 979 C THR A 65 9.954 -4.888 8.891 1.00 0.00 C ATOM 980 O THR A 65 10.534 -5.783 9.503 1.00 0.00 O ATOM 981 CB THR A 65 11.035 -2.643 8.312 1.00 0.00 C ATOM 982 OG1 THR A 65 12.060 -2.217 7.419 1.00 0.00 O ATOM 983 CG2 THR A 65 11.708 -2.630 9.686 1.00 0.00 C ATOM 0 H THR A 65 9.784 -2.998 6.279 1.00 0.00 H new ATOM 0 HA THR A 65 11.630 -4.587 7.653 1.00 0.00 H new ATOM 0 HB THR A 65 10.125 -2.044 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.658 -1.736 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.928 -1.602 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.041 -3.078 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.635 -3.201 9.642 1.00 0.00 H new ATOM 991 N ILE A 66 8.682 -4.560 9.068 1.00 0.00 N ATOM 992 CA ILE A 66 7.856 -5.263 10.034 1.00 0.00 C ATOM 993 C ILE A 66 7.649 -6.705 9.568 1.00 0.00 C ATOM 994 O ILE A 66 7.479 -7.608 10.386 1.00 0.00 O ATOM 995 CB ILE A 66 6.551 -4.502 10.278 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.179 -4.511 11.762 1.00 0.00 C ATOM 997 CG2 ILE A 66 5.424 -5.052 9.401 1.00 0.00 C ATOM 998 CD1 ILE A 66 5.185 -3.394 12.085 1.00 0.00 C ATOM 0 H ILE A 66 8.204 -3.817 8.559 1.00 0.00 H new ATOM 0 HA ILE A 66 8.357 -5.309 11.001 1.00 0.00 H new ATOM 0 HB ILE A 66 6.704 -3.461 9.992 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.746 -5.476 12.026 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.078 -4.389 12.367 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.508 -4.494 9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.697 -4.950 8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.263 -6.105 9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.937 -3.423 13.146 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.630 -2.429 11.843 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.278 -3.533 11.497 1.00 0.00 H new ATOM 1010 N MET A 67 7.671 -6.878 8.254 1.00 0.00 N ATOM 1011 CA MET A 67 7.487 -8.195 7.669 1.00 0.00 C ATOM 1012 C MET A 67 8.551 -9.172 8.175 1.00 0.00 C ATOM 1013 O MET A 67 8.232 -10.292 8.572 1.00 0.00 O ATOM 1014 CB MET A 67 7.571 -8.093 6.145 1.00 0.00 C ATOM 1015 CG MET A 67 6.536 -9.001 5.477 1.00 0.00 C ATOM 1016 SD MET A 67 5.752 -8.141 4.123 1.00 0.00 S ATOM 1017 CE MET A 67 4.332 -7.465 4.966 1.00 0.00 C ATOM 0 H MET A 67 7.814 -6.127 7.578 1.00 0.00 H new ATOM 0 HA MET A 67 6.507 -8.570 7.963 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.407 -7.060 5.836 1.00 0.00 H new ATOM 0 HB3 MET A 67 8.572 -8.370 5.813 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.018 -9.908 5.112 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.786 -9.309 6.206 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.728 -6.893 4.261 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.734 -8.277 5.380 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.665 -6.811 5.772 1.00 0.00 H new ATOM 1027 N GLY A 68 9.793 -8.713 8.143 1.00 0.00 N ATOM 1028 CA GLY A 68 10.906 -9.532 8.593 1.00 0.00 C ATOM 1029 C GLY A 68 12.179 -9.207 7.809 1.00 0.00 C ATOM 1030 O GLY A 68 13.077 -8.544 8.325 1.00 0.00 O ATOM 0 H GLY A 68 10.054 -7.784 7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.077 -9.366 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.659 -10.587 8.471 1.00 0.00 H new ATOM 1231 N PRO A 79 7.553 -10.338 -2.764 1.00 0.00 N ATOM 1232 CA PRO A 79 6.458 -9.390 -2.642 1.00 0.00 C ATOM 1233 C PRO A 79 6.482 -8.376 -3.788 1.00 0.00 C ATOM 1234 O PRO A 79 6.505 -7.169 -3.553 1.00 0.00 O ATOM 1235 CB PRO A 79 6.643 -8.748 -1.277 1.00 0.00 C ATOM 1236 CG PRO A 79 8.086 -9.018 -0.882 1.00 0.00 C ATOM 1237 CD PRO A 79 8.633 -10.088 -1.814 1.00 0.00 C ATOM 0 HA PRO A 79 5.480 -9.865 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.443 -7.677 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.952 -9.173 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.679 -8.107 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.142 -9.350 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.536 -9.748 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.897 -10.993 -1.267 1.00 0.00 H new ATOM 1245 N ALA A 80 6.474 -8.904 -5.003 1.00 0.00 N ATOM 1246 CA ALA A 80 6.494 -8.060 -6.186 1.00 0.00 C ATOM 1247 C ALA A 80 5.170 -7.301 -6.288 1.00 0.00 C ATOM 1248 O ALA A 80 5.152 -6.071 -6.276 1.00 0.00 O ATOM 1249 CB ALA A 80 6.771 -8.918 -7.421 1.00 0.00 C ATOM 0 H ALA A 80 6.454 -9.906 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 80 7.293 -7.321 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.786 -8.285 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.736 -9.412 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.988 -9.670 -7.525 1.00 0.00 H new ATOM 1255 N GLY A 81 4.092 -8.066 -6.385 1.00 0.00 N ATOM 1256 CA GLY A 81 2.766 -7.481 -6.489 1.00 0.00 C ATOM 1257 C GLY A 81 2.637 -6.251 -5.588 1.00 0.00 C ATOM 1258 O GLY A 81 2.281 -5.170 -6.054 1.00 0.00 O ATOM 0 H GLY A 81 4.110 -9.086 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.568 -7.201 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.015 -8.221 -6.210 1.00 0.00 H new ATOM 1262 N LEU A 82 2.933 -6.458 -4.313 1.00 0.00 N ATOM 1263 CA LEU A 82 2.855 -5.379 -3.343 1.00 0.00 C ATOM 1264 C LEU A 82 3.588 -4.153 -3.889 1.00 0.00 C ATOM 1265 O LEU A 82 3.044 -3.050 -3.891 1.00 0.00 O ATOM 1266 CB LEU A 82 3.369 -5.847 -1.980 1.00 0.00 C ATOM 1267 CG LEU A 82 2.991 -4.971 -0.783 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.932 -5.654 0.083 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.230 -4.583 0.025 1.00 0.00 C ATOM 0 H LEU A 82 3.227 -7.356 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 82 1.818 -5.084 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.995 -6.855 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.456 -5.914 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 82 2.551 -4.048 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.681 -5.011 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.038 -5.837 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.321 -6.602 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.934 -3.961 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.721 -5.484 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.920 -4.027 -0.611 1.00 0.00 H new ATOM 1281 N VAL A 83 4.812 -4.387 -4.339 1.00 0.00 N ATOM 1282 CA VAL A 83 5.626 -3.314 -4.887 1.00 0.00 C ATOM 1283 C VAL A 83 4.889 -2.671 -6.063 1.00 0.00 C ATOM 1284 O VAL A 83 4.970 -1.460 -6.264 1.00 0.00 O ATOM 1285 CB VAL A 83 7.008 -3.848 -5.267 1.00 0.00 C ATOM 1286 CG1 VAL A 83 7.752 -2.855 -6.163 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.828 -4.184 -4.020 1.00 0.00 C ATOM 0 H VAL A 83 5.260 -5.303 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 83 5.787 -2.537 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 83 6.868 -4.769 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.732 -3.259 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.179 -2.688 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.876 -1.910 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.806 -4.562 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.955 -3.286 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.308 -4.944 -3.437 1.00 0.00 H new ATOM 1297 N ALA A 84 4.186 -3.510 -6.810 1.00 0.00 N ATOM 1298 CA ALA A 84 3.436 -3.038 -7.961 1.00 0.00 C ATOM 1299 C ALA A 84 2.288 -2.146 -7.485 1.00 0.00 C ATOM 1300 O ALA A 84 1.871 -1.232 -8.196 1.00 0.00 O ATOM 1301 CB ALA A 84 2.943 -4.236 -8.776 1.00 0.00 C ATOM 0 H ALA A 84 4.120 -4.514 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 84 4.071 -2.439 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.380 -3.882 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.797 -4.822 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.300 -4.859 -8.154 1.00 0.00 H new ATOM 1307 N GLY A 85 1.808 -2.442 -6.286 1.00 0.00 N ATOM 1308 CA GLY A 85 0.717 -1.678 -5.707 1.00 0.00 C ATOM 1309 C GLY A 85 1.188 -0.286 -5.279 1.00 0.00 C ATOM 1310 O GLY A 85 0.663 0.722 -5.749 1.00 0.00 O ATOM 0 H GLY A 85 2.155 -3.201 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.091 -1.585 -6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.313 -2.210 -4.846 1.00 0.00 H new ATOM 1314 N LEU A 86 2.172 -0.277 -4.392 1.00 0.00 N ATOM 1315 CA LEU A 86 2.720 0.974 -3.896 1.00 0.00 C ATOM 1316 C LEU A 86 3.120 1.857 -5.080 1.00 0.00 C ATOM 1317 O LEU A 86 2.876 3.062 -5.071 1.00 0.00 O ATOM 1318 CB LEU A 86 3.863 0.707 -2.914 1.00 0.00 C ATOM 1319 CG LEU A 86 3.485 -0.035 -1.631 1.00 0.00 C ATOM 1320 CD1 LEU A 86 4.674 -0.830 -1.087 1.00 0.00 C ATOM 1321 CD2 LEU A 86 2.914 0.928 -0.588 1.00 0.00 C ATOM 0 H LEU A 86 2.604 -1.116 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 86 1.966 1.522 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.632 0.132 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.310 1.662 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 86 2.700 -0.752 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.378 -1.348 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.995 -1.559 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.497 -0.150 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.654 0.375 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.659 1.686 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.022 1.410 -0.988 1.00 0.00 H new ATOM 1333 N SER A 87 3.728 1.221 -6.071 1.00 0.00 N ATOM 1334 CA SER A 87 4.164 1.934 -7.260 1.00 0.00 C ATOM 1335 C SER A 87 2.962 2.571 -7.959 1.00 0.00 C ATOM 1336 O SER A 87 2.958 3.773 -8.224 1.00 0.00 O ATOM 1337 CB SER A 87 4.903 1.000 -8.221 1.00 0.00 C ATOM 1338 OG SER A 87 5.846 1.701 -9.027 1.00 0.00 O ATOM 0 H SER A 87 3.929 0.221 -6.075 1.00 0.00 H new ATOM 0 HA SER A 87 4.856 2.719 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.418 0.226 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.181 0.496 -8.863 1.00 0.00 H new ATOM 0 HG SER A 87 6.298 1.070 -9.625 1.00 0.00 H new ATOM 1344 N LEU A 88 1.969 1.739 -8.237 1.00 0.00 N ATOM 1345 CA LEU A 88 0.764 2.207 -8.900 1.00 0.00 C ATOM 1346 C LEU A 88 0.220 3.428 -8.157 1.00 0.00 C ATOM 1347 O LEU A 88 -0.197 4.404 -8.780 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.249 1.068 -9.036 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.768 0.797 -10.449 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -0.646 -0.687 -10.803 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -2.200 1.309 -10.615 1.00 0.00 C ATOM 0 H LEU A 88 1.974 0.743 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 88 0.988 2.527 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.209 0.154 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.101 1.288 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.145 1.349 -11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.022 -0.852 -11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.400 -0.989 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.229 -1.279 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.545 1.104 -11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.852 0.805 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.226 2.384 -10.434 1.00 0.00 H new ATOM 1363 N MET A 89 0.241 3.336 -6.835 1.00 0.00 N ATOM 1364 CA MET A 89 -0.245 4.421 -6.001 1.00 0.00 C ATOM 1365 C MET A 89 0.522 5.715 -6.283 1.00 0.00 C ATOM 1366 O MET A 89 -0.081 6.749 -6.565 1.00 0.00 O ATOM 1367 CB MET A 89 -0.084 4.043 -4.527 1.00 0.00 C ATOM 1368 CG MET A 89 -1.347 4.384 -3.733 1.00 0.00 C ATOM 1369 SD MET A 89 -2.192 2.886 -3.256 1.00 0.00 S ATOM 1370 CE MET A 89 -3.766 3.563 -2.758 1.00 0.00 C ATOM 0 H MET A 89 0.587 2.526 -6.321 1.00 0.00 H new ATOM 0 HA MET A 89 -1.298 4.587 -6.230 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.127 2.977 -4.442 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.770 4.571 -4.103 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.084 4.961 -2.846 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.008 5.008 -4.335 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.421 2.757 -2.428 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.617 4.267 -1.939 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.223 4.080 -3.602 1.00 0.00 H new ATOM 1380 N MET A 90 1.841 5.615 -6.196 1.00 0.00 N ATOM 1381 CA MET A 90 2.696 6.764 -6.438 1.00 0.00 C ATOM 1382 C MET A 90 2.350 7.434 -7.769 1.00 0.00 C ATOM 1383 O MET A 90 2.060 8.629 -7.810 1.00 0.00 O ATOM 1384 CB MET A 90 4.159 6.317 -6.456 1.00 0.00 C ATOM 1385 CG MET A 90 5.101 7.515 -6.321 1.00 0.00 C ATOM 1386 SD MET A 90 5.826 7.904 -7.904 1.00 0.00 S ATOM 1387 CE MET A 90 7.558 7.770 -7.493 1.00 0.00 C ATOM 0 H MET A 90 2.338 4.756 -5.961 1.00 0.00 H new ATOM 0 HA MET A 90 2.538 7.486 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.338 5.615 -5.641 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.370 5.787 -7.385 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.553 8.377 -5.941 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.885 7.291 -5.598 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.159 7.984 -8.377 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.802 8.484 -6.707 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.772 6.760 -7.144 1.00 0.00 H new ATOM 1397 N ILE A 91 2.393 6.636 -8.826 1.00 0.00 N ATOM 1398 CA ILE A 91 2.088 7.137 -10.155 1.00 0.00 C ATOM 1399 C ILE A 91 0.754 7.886 -10.119 1.00 0.00 C ATOM 1400 O ILE A 91 0.683 9.052 -10.505 1.00 0.00 O ATOM 1401 CB ILE A 91 2.126 6.000 -11.178 1.00 0.00 C ATOM 1402 CG1 ILE A 91 3.506 5.340 -11.213 1.00 0.00 C ATOM 1403 CG2 ILE A 91 1.691 6.491 -12.560 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.596 6.366 -11.531 1.00 0.00 C ATOM 0 H ILE A 91 2.635 5.646 -8.789 1.00 0.00 H new ATOM 0 HA ILE A 91 2.847 7.850 -10.476 1.00 0.00 H new ATOM 0 HB ILE A 91 1.412 5.237 -10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.713 4.870 -10.251 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.516 4.549 -11.963 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.727 5.663 -13.268 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.673 6.877 -12.505 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.362 7.283 -12.893 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.567 5.871 -11.550 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.399 6.816 -12.504 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.599 7.142 -10.766 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.269 7.187 -9.652 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.596 7.772 -9.560 1.00 0.00 C ATOM 1418 C LEU A 92 -1.523 9.067 -8.750 1.00 0.00 C ATOM 1419 O LEU A 92 -2.309 9.987 -8.971 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.593 6.753 -9.004 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.855 6.524 -9.839 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.721 5.267 -10.701 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -5.100 6.481 -8.951 1.00 0.00 C ATOM 0 H LEU A 92 -0.206 6.220 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.965 8.037 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.080 5.798 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.894 7.076 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.974 7.369 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.631 5.127 -11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.871 5.377 -11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.565 4.400 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.983 6.317 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.005 5.668 -8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.200 7.427 -8.419 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.572 9.097 -7.827 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.386 10.265 -6.982 1.00 0.00 C ATOM 1437 C ARG A 93 0.199 11.421 -7.796 1.00 0.00 C ATOM 1438 O ARG A 93 -0.127 12.582 -7.555 1.00 0.00 O ATOM 1439 CB ARG A 93 0.544 9.953 -5.809 1.00 0.00 C ATOM 1440 CG ARG A 93 0.337 10.948 -4.665 1.00 0.00 C ATOM 1441 CD ARG A 93 1.362 12.082 -4.733 1.00 0.00 C ATOM 1442 NE ARG A 93 0.854 13.267 -4.006 1.00 0.00 N ATOM 1443 CZ ARG A 93 1.328 14.509 -4.171 1.00 0.00 C ATOM 1444 NH1 ARG A 93 2.325 14.737 -5.037 1.00 0.00 N ATOM 1445 NH2 ARG A 93 0.806 15.524 -3.469 1.00 0.00 N ATOM 0 H ARG A 93 0.077 8.332 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.362 10.550 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.358 8.940 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.581 9.988 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.671 11.360 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.423 10.432 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.307 11.756 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.562 12.341 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 93 0.096 13.129 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.723 13.965 -5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.685 15.683 -5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.048 15.351 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.167 16.470 -3.595 1.00 0.00 H new ATOM 1459 N LEU A 94 1.055 11.063 -8.742 1.00 0.00 N ATOM 1460 CA LEU A 94 1.689 12.056 -9.593 1.00 0.00 C ATOM 1461 C LEU A 94 0.611 12.845 -10.338 1.00 0.00 C ATOM 1462 O LEU A 94 0.649 14.074 -10.373 1.00 0.00 O ATOM 1463 CB LEU A 94 2.716 11.394 -10.514 1.00 0.00 C ATOM 1464 CG LEU A 94 3.937 12.242 -10.875 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.519 13.539 -11.571 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.804 12.507 -9.642 1.00 0.00 C ATOM 0 H LEU A 94 1.324 10.099 -8.938 1.00 0.00 H new ATOM 0 HA LEU A 94 2.250 12.772 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.063 10.477 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.214 11.104 -11.437 1.00 0.00 H new ATOM 0 HG LEU A 94 4.546 11.679 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.406 14.123 -11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.976 13.302 -12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.877 14.117 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.665 13.112 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.218 13.039 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.147 11.559 -9.228 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.324 12.107 -10.918 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.410 12.723 -11.661 1.00 0.00 C ATOM 1480 C VAL A 95 -2.367 13.408 -10.683 1.00 0.00 C ATOM 1481 O VAL A 95 -2.766 14.552 -10.898 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.101 11.678 -12.540 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.402 12.229 -13.126 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -1.165 11.189 -13.647 1.00 0.00 C ATOM 0 H VAL A 95 -0.352 11.088 -10.888 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.026 13.491 -12.332 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.352 10.824 -11.911 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.873 11.467 -13.746 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.077 12.506 -12.316 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.184 13.107 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.680 10.447 -14.257 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.869 12.032 -14.272 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.278 10.739 -13.201 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.708 12.680 -9.630 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.610 13.203 -8.619 1.00 0.00 C ATOM 1496 C LEU A 96 -3.238 14.655 -8.311 1.00 0.00 C ATOM 1497 O LEU A 96 -4.098 15.457 -7.952 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.618 12.296 -7.387 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.939 11.585 -7.086 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -4.773 10.066 -7.161 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.509 12.033 -5.739 1.00 0.00 C ATOM 0 H LEU A 96 -2.375 11.732 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.635 13.208 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.842 11.541 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.344 12.894 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.661 11.869 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.726 9.585 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.445 9.785 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.029 9.745 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.448 11.512 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.798 11.798 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.688 13.108 -5.759 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.955 14.949 -8.464 1.00 0.00 N ATOM 1514 CA LEU A 97 -1.458 16.290 -8.207 1.00 0.00 C ATOM 1515 C LEU A 97 -2.453 17.312 -8.761 1.00 0.00 C ATOM 1516 O LEU A 97 -2.737 18.319 -8.115 1.00 0.00 O ATOM 1517 CB LEU A 97 -0.040 16.450 -8.758 1.00 0.00 C ATOM 1518 CG LEU A 97 0.620 17.811 -8.525 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.121 17.656 -8.275 1.00 0.00 C ATOM 1520 CD2 LEU A 97 0.326 18.768 -9.682 1.00 0.00 C ATOM 0 H LEU A 97 -1.244 14.281 -8.763 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.380 16.469 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.591 15.681 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.065 16.259 -9.831 1.00 0.00 H new ATOM 0 HG LEU A 97 0.188 18.251 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.566 18.638 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.281 17.035 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.587 17.185 -9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.806 19.728 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.713 18.347 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.751 18.912 -9.770 1.00 0.00 H new ATOM 1532 N LEU A 98 -2.954 17.017 -9.952 1.00 0.00 N ATOM 1533 CA LEU A 98 -3.911 17.898 -10.600 1.00 0.00 C ATOM 1534 C LEU A 98 -5.245 17.833 -9.853 1.00 0.00 C ATOM 1535 O LEU A 98 -5.865 18.862 -9.591 1.00 0.00 O ATOM 1536 CB LEU A 98 -4.022 17.565 -12.089 1.00 0.00 C ATOM 1537 CG LEU A 98 -3.623 18.681 -13.057 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -2.563 18.195 -14.047 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -4.851 19.255 -13.768 1.00 0.00 C ATOM 0 H LEU A 98 -2.715 16.181 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.570 18.932 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.400 16.694 -12.294 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.052 17.278 -12.301 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.177 19.491 -12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.297 19.007 -14.723 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.676 17.872 -13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.959 17.358 -14.623 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.540 20.046 -14.450 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.348 18.465 -14.331 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.541 19.663 -13.030 1.00 0.00 H new ATOM 1551 N LEU A 99 -5.647 16.612 -9.532 1.00 0.00 N ATOM 1552 CA LEU A 99 -6.897 16.398 -8.821 1.00 0.00 C ATOM 1553 C LEU A 99 -7.013 17.418 -7.687 1.00 0.00 C ATOM 1554 O LEU A 99 -8.067 17.542 -7.064 1.00 0.00 O ATOM 1555 CB LEU A 99 -7.007 14.945 -8.356 1.00 0.00 C ATOM 1556 CG LEU A 99 -8.002 14.070 -9.120 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -9.442 14.502 -8.837 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -7.689 14.062 -10.617 1.00 0.00 C ATOM 0 H LEU A 99 -5.130 15.761 -9.751 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.746 16.560 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.021 14.486 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.285 14.942 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.898 13.045 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.129 13.864 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.646 14.412 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -9.579 15.538 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.411 13.432 -11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.747 15.078 -11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.685 13.669 -10.777 1.00 0.00 H new