USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 295 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 13 TYR OH : rot -29:sc= 0.882 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=-0.0056) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 9 -15.714 -6.275 -11.630 1.00 54.02 N ATOM 125 CA ARG A 9 -15.196 -7.610 -11.905 1.00 24.20 C ATOM 126 C ARG A 9 -16.316 -8.645 -11.875 1.00 41.23 C ATOM 127 O ARG A 9 -17.345 -8.443 -11.231 1.00 23.00 O ATOM 128 CB ARG A 9 -14.117 -7.981 -10.887 1.00 11.44 C ATOM 129 CG ARG A 9 -14.558 -7.807 -9.442 1.00 43.41 C ATOM 130 CD ARG A 9 -13.415 -8.073 -8.475 1.00 24.11 C ATOM 131 NE ARG A 9 -12.219 -7.306 -8.815 1.00 34.40 N ATOM 132 CZ ARG A 9 -11.035 -7.501 -8.245 1.00 73.42 C ATOM 133 NH1 ARG A 9 -10.888 -8.434 -7.314 1.00 41.15 N ATOM 134 NH2 ARG A 9 -9.994 -6.763 -8.609 1.00 14.03 N ATOM 0 HA ARG A 9 -14.758 -7.604 -12.903 1.00 24.20 H new ATOM 0 HB2 ARG A 9 -13.821 -9.018 -11.045 1.00 11.44 H new ATOM 0 HB3 ARG A 9 -13.234 -7.367 -11.065 1.00 11.44 H new ATOM 0 HG2 ARG A 9 -14.933 -6.794 -9.294 1.00 43.41 H new ATOM 0 HG3 ARG A 9 -15.383 -8.487 -9.228 1.00 43.41 H new ATOM 0 HD2 ARG A 9 -13.731 -7.821 -7.463 1.00 24.11 H new ATOM 0 HD3 ARG A 9 -13.177 -9.137 -8.480 1.00 24.11 H new ATOM 0 HE ARG A 9 -12.297 -6.582 -9.529 1.00 34.40 H new ATOM 0 HH11 ARG A 9 -11.686 -9.005 -7.033 1.00 41.15 H new ATOM 0 HH12 ARG A 9 -9.977 -8.581 -6.879 1.00 41.15 H new ATOM 0 HH21 ARG A 9 -10.103 -6.046 -9.326 1.00 14.03 H new ATOM 0 HH22 ARG A 9 -9.085 -6.913 -8.171 1.00 14.03 H new ATOM 148 N ALA A 10 -16.109 -9.754 -12.577 1.00 50.05 N ATOM 149 CA ALA A 10 -17.100 -10.822 -12.630 1.00 41.24 C ATOM 150 C ALA A 10 -16.693 -11.993 -11.743 1.00 45.22 C ATOM 151 O ALA A 10 -15.648 -12.609 -11.953 1.00 35.24 O ATOM 152 CB ALA A 10 -17.298 -11.288 -14.065 1.00 64.35 C ATOM 0 H ALA A 10 -15.263 -9.937 -13.117 1.00 50.05 H new ATOM 0 HA ALA A 10 -18.044 -10.427 -12.255 1.00 41.24 H new ATOM 0 HB1 ALA A 10 -18.041 -12.086 -14.089 1.00 64.35 H new ATOM 0 HB2 ALA A 10 -17.643 -10.453 -14.675 1.00 64.35 H new ATOM 0 HB3 ALA A 10 -16.353 -11.660 -14.460 1.00 64.35 H new ATOM 158 N ARG A 11 -17.525 -12.295 -10.751 1.00 45.35 N ATOM 159 CA ARG A 11 -17.250 -13.391 -9.831 1.00 4.24 C ATOM 160 C ARG A 11 -17.993 -14.655 -10.253 1.00 15.42 C ATOM 161 O ARG A 11 -19.199 -14.780 -10.034 1.00 21.14 O ATOM 162 CB ARG A 11 -17.652 -13.002 -8.407 1.00 4.14 C ATOM 163 CG ARG A 11 -17.339 -14.071 -7.372 1.00 5.33 C ATOM 164 CD ARG A 11 -17.847 -13.677 -5.994 1.00 25.42 C ATOM 165 NE ARG A 11 -16.914 -12.794 -5.299 1.00 12.04 N ATOM 166 CZ ARG A 11 -15.746 -13.195 -4.812 1.00 24.33 C ATOM 167 NH1 ARG A 11 -15.367 -14.459 -4.945 1.00 0.24 N ATOM 168 NH2 ARG A 11 -14.951 -12.332 -4.192 1.00 14.42 N ATOM 0 H ARG A 11 -18.395 -11.796 -10.565 1.00 45.35 H new ATOM 0 HA ARG A 11 -16.179 -13.594 -9.857 1.00 4.24 H new ATOM 0 HB2 ARG A 11 -17.138 -12.081 -8.132 1.00 4.14 H new ATOM 0 HB3 ARG A 11 -18.721 -12.789 -8.386 1.00 4.14 H new ATOM 0 HG2 ARG A 11 -17.794 -15.015 -7.673 1.00 5.33 H new ATOM 0 HG3 ARG A 11 -16.262 -14.235 -7.331 1.00 5.33 H new ATOM 0 HD2 ARG A 11 -18.812 -13.180 -6.092 1.00 25.42 H new ATOM 0 HD3 ARG A 11 -18.010 -14.575 -5.397 1.00 25.42 H new ATOM 0 HE ARG A 11 -17.174 -11.815 -5.181 1.00 12.04 H new ATOM 0 HH11 ARG A 11 -15.974 -15.126 -5.422 1.00 0.24 H new ATOM 0 HH12 ARG A 11 -14.469 -14.764 -4.570 1.00 0.24 H new ATOM 0 HH21 ARG A 11 -15.237 -11.358 -4.089 1.00 14.42 H new ATOM 0 HH22 ARG A 11 -14.054 -12.642 -3.819 1.00 14.42 H new ATOM 182 N ILE A 12 -17.267 -15.588 -10.858 1.00 0.11 N ATOM 183 CA ILE A 12 -17.858 -16.841 -11.311 1.00 24.12 C ATOM 184 C ILE A 12 -17.463 -17.996 -10.396 1.00 2.21 C ATOM 185 O ILE A 12 -16.304 -18.117 -9.996 1.00 41.40 O ATOM 186 CB ILE A 12 -17.433 -17.175 -12.753 1.00 32.00 C ATOM 187 CG1 ILE A 12 -17.770 -16.013 -13.688 1.00 64.22 C ATOM 188 CG2 ILE A 12 -18.112 -18.454 -13.221 1.00 54.24 C ATOM 189 CD1 ILE A 12 -17.133 -16.133 -15.056 1.00 34.42 C ATOM 0 H ILE A 12 -16.268 -15.500 -11.046 1.00 0.11 H new ATOM 0 HA ILE A 12 -18.940 -16.709 -11.281 1.00 24.12 H new ATOM 0 HB ILE A 12 -16.354 -17.331 -12.773 1.00 32.00 H new ATOM 0 HG12 ILE A 12 -18.852 -15.953 -13.804 1.00 64.22 H new ATOM 0 HG13 ILE A 12 -17.447 -15.080 -13.226 1.00 64.22 H new ATOM 0 HG21 ILE A 12 -17.802 -18.678 -14.242 1.00 54.24 H new ATOM 0 HG22 ILE A 12 -17.827 -19.278 -12.567 1.00 54.24 H new ATOM 0 HG23 ILE A 12 -19.194 -18.324 -13.190 1.00 54.24 H new ATOM 0 HD11 ILE A 12 -17.415 -15.275 -15.665 1.00 34.42 H new ATOM 0 HD12 ILE A 12 -16.048 -16.162 -14.951 1.00 34.42 H new ATOM 0 HD13 ILE A 12 -17.476 -17.049 -15.538 1.00 34.42 H new ATOM 201 N TYR A 13 -18.432 -18.843 -10.070 1.00 60.15 N ATOM 202 CA TYR A 13 -18.187 -19.989 -9.202 1.00 70.43 C ATOM 203 C TYR A 13 -19.338 -20.987 -9.279 1.00 55.34 C ATOM 204 O TYR A 13 -20.488 -20.611 -9.507 1.00 53.24 O ATOM 205 CB TYR A 13 -17.991 -19.529 -7.757 1.00 50.43 C ATOM 206 CG TYR A 13 -19.247 -18.972 -7.125 1.00 12.53 C ATOM 207 CD1 TYR A 13 -19.758 -17.740 -7.515 1.00 74.43 C ATOM 208 CD2 TYR A 13 -19.921 -19.677 -6.135 1.00 43.23 C ATOM 209 CE1 TYR A 13 -20.905 -17.228 -6.940 1.00 23.34 C ATOM 210 CE2 TYR A 13 -21.069 -19.173 -5.555 1.00 23.05 C ATOM 211 CZ TYR A 13 -21.557 -17.948 -5.960 1.00 44.21 C ATOM 212 OH TYR A 13 -22.699 -17.442 -5.383 1.00 43.20 O ATOM 0 H TYR A 13 -19.396 -18.758 -10.394 1.00 60.15 H new ATOM 0 HA TYR A 13 -17.278 -20.484 -9.544 1.00 70.43 H new ATOM 0 HB2 TYR A 13 -17.636 -20.370 -7.161 1.00 50.43 H new ATOM 0 HB3 TYR A 13 -17.211 -18.768 -7.729 1.00 50.43 H new ATOM 0 HD1 TYR A 13 -19.250 -17.173 -8.281 1.00 74.43 H new ATOM 0 HD2 TYR A 13 -19.541 -20.635 -5.814 1.00 43.23 H new ATOM 0 HE1 TYR A 13 -21.289 -16.269 -7.256 1.00 23.34 H new ATOM 0 HE2 TYR A 13 -21.582 -19.735 -4.788 1.00 23.05 H new ATOM 0 HH TYR A 13 -22.665 -16.463 -5.394 1.00 43.20 H new ATOM 468 N TRP A 30 -24.007 -22.685 -13.161 1.00 61.11 N ATOM 469 CA TRP A 30 -22.930 -21.838 -12.661 1.00 64.35 C ATOM 470 C TRP A 30 -23.478 -20.528 -12.107 1.00 74.03 C ATOM 471 O TRP A 30 -24.551 -20.074 -12.508 1.00 2.02 O ATOM 472 CB TRP A 30 -21.921 -21.552 -13.775 1.00 63.53 C ATOM 473 CG TRP A 30 -21.061 -22.733 -14.115 1.00 42.13 C ATOM 474 CD1 TRP A 30 -21.402 -23.795 -14.902 1.00 11.31 C ATOM 475 CD2 TRP A 30 -19.719 -22.970 -13.677 1.00 72.30 C ATOM 476 NE1 TRP A 30 -20.353 -24.680 -14.979 1.00 42.54 N ATOM 477 CE2 TRP A 30 -19.308 -24.195 -14.237 1.00 2.10 C ATOM 478 CE3 TRP A 30 -18.823 -22.266 -12.867 1.00 54.53 C ATOM 479 CZ2 TRP A 30 -18.043 -24.729 -14.012 1.00 23.42 C ATOM 480 CZ3 TRP A 30 -17.567 -22.798 -12.644 1.00 72.21 C ATOM 481 CH2 TRP A 30 -17.186 -24.019 -13.215 1.00 23.24 C ATOM 0 HA TRP A 30 -22.429 -22.370 -11.852 1.00 64.35 H new ATOM 0 HB2 TRP A 30 -22.458 -21.233 -14.669 1.00 63.53 H new ATOM 0 HB3 TRP A 30 -21.283 -20.722 -13.473 1.00 63.53 H new ATOM 0 HD1 TRP A 30 -22.356 -23.921 -15.392 1.00 11.31 H new ATOM 0 HE1 TRP A 30 -20.353 -25.555 -15.503 1.00 42.54 H new ATOM 0 HE3 TRP A 30 -19.107 -21.323 -12.423 1.00 54.53 H new ATOM 0 HZ2 TRP A 30 -17.748 -25.671 -14.451 1.00 23.42 H new ATOM 0 HZ3 TRP A 30 -16.867 -22.263 -12.019 1.00 72.21 H new ATOM 0 HH2 TRP A 30 -16.197 -24.408 -13.023 1.00 23.24 H new ATOM 492 N LYS A 31 -22.737 -19.924 -11.184 1.00 71.43 N ATOM 493 CA LYS A 31 -23.148 -18.666 -10.576 1.00 54.43 C ATOM 494 C LYS A 31 -22.208 -17.534 -10.977 1.00 42.12 C ATOM 495 O LYS A 31 -20.992 -17.719 -11.044 1.00 44.53 O ATOM 496 CB LYS A 31 -23.183 -18.798 -9.052 1.00 72.21 C ATOM 497 CG LYS A 31 -24.068 -17.770 -8.371 1.00 14.32 C ATOM 498 CD LYS A 31 -25.359 -18.391 -7.867 1.00 33.04 C ATOM 499 CE LYS A 31 -26.416 -17.333 -7.586 1.00 63.22 C ATOM 500 NZ LYS A 31 -27.702 -17.937 -7.144 1.00 35.22 N ATOM 0 H LYS A 31 -21.848 -20.287 -10.841 1.00 71.43 H new ATOM 0 HA LYS A 31 -24.149 -18.429 -10.937 1.00 54.43 H new ATOM 0 HB2 LYS A 31 -23.534 -19.796 -8.791 1.00 72.21 H new ATOM 0 HB3 LYS A 31 -22.168 -18.705 -8.665 1.00 72.21 H new ATOM 0 HG2 LYS A 31 -23.529 -17.321 -7.537 1.00 14.32 H new ATOM 0 HG3 LYS A 31 -24.299 -16.967 -9.071 1.00 14.32 H new ATOM 0 HD2 LYS A 31 -25.737 -19.097 -8.607 1.00 33.04 H new ATOM 0 HD3 LYS A 31 -25.160 -18.958 -6.958 1.00 33.04 H new ATOM 0 HE2 LYS A 31 -26.052 -16.651 -6.817 1.00 63.22 H new ATOM 0 HE3 LYS A 31 -26.584 -16.740 -8.485 1.00 63.22 H new ATOM 0 HZ1 LYS A 31 -28.395 -17.183 -6.963 1.00 35.22 H new ATOM 0 HZ2 LYS A 31 -28.063 -18.568 -7.888 1.00 35.22 H new ATOM 0 HZ3 LYS A 31 -27.548 -18.482 -6.272 1.00 35.22 H new ATOM 514 N LEU A 32 -22.776 -16.363 -11.241 1.00 72.30 N ATOM 515 CA LEU A 32 -21.987 -15.200 -11.634 1.00 60.32 C ATOM 516 C LEU A 32 -22.446 -13.953 -10.885 1.00 63.31 C ATOM 517 O LEU A 32 -23.621 -13.592 -10.923 1.00 13.10 O ATOM 518 CB LEU A 32 -22.096 -14.972 -13.142 1.00 62.32 C ATOM 519 CG LEU A 32 -21.335 -13.767 -13.696 1.00 44.30 C ATOM 520 CD1 LEU A 32 -22.158 -12.498 -13.541 1.00 14.21 C ATOM 521 CD2 LEU A 32 -19.990 -13.620 -12.999 1.00 25.14 C ATOM 0 H LEU A 32 -23.780 -16.193 -11.190 1.00 72.30 H new ATOM 0 HA LEU A 32 -20.946 -15.394 -11.376 1.00 60.32 H new ATOM 0 HB2 LEU A 32 -21.739 -15.867 -13.651 1.00 62.32 H new ATOM 0 HB3 LEU A 32 -23.150 -14.859 -13.397 1.00 62.32 H new ATOM 0 HG LEU A 32 -21.156 -13.932 -14.758 1.00 44.30 H new ATOM 0 HD11 LEU A 32 -21.600 -11.651 -13.941 1.00 14.21 H new ATOM 0 HD12 LEU A 32 -23.096 -12.604 -14.086 1.00 14.21 H new ATOM 0 HD13 LEU A 32 -22.369 -12.328 -12.485 1.00 14.21 H new ATOM 0 HD21 LEU A 32 -19.462 -12.758 -13.406 1.00 25.14 H new ATOM 0 HD22 LEU A 32 -20.148 -13.478 -11.930 1.00 25.14 H new ATOM 0 HD23 LEU A 32 -19.396 -14.519 -13.162 1.00 25.14 H new ATOM 533 N GLU A 33 -21.508 -13.297 -10.208 1.00 32.23 N ATOM 534 CA GLU A 33 -21.816 -12.089 -9.451 1.00 72.24 C ATOM 535 C GLU A 33 -20.858 -10.960 -9.817 1.00 71.15 C ATOM 536 O GLU A 33 -19.700 -10.954 -9.401 1.00 62.21 O ATOM 537 CB GLU A 33 -21.743 -12.369 -7.949 1.00 61.44 C ATOM 538 CG GLU A 33 -22.505 -13.613 -7.523 1.00 62.11 C ATOM 539 CD GLU A 33 -22.689 -13.698 -6.021 1.00 62.40 C ATOM 540 OE1 GLU A 33 -22.712 -12.636 -5.365 1.00 55.30 O ATOM 541 OE2 GLU A 33 -22.810 -14.827 -5.501 1.00 11.02 O ATOM 0 H GLU A 33 -20.529 -13.582 -10.168 1.00 32.23 H new ATOM 0 HA GLU A 33 -22.830 -11.779 -9.706 1.00 72.24 H new ATOM 0 HB2 GLU A 33 -20.698 -12.476 -7.659 1.00 61.44 H new ATOM 0 HB3 GLU A 33 -22.137 -11.509 -7.408 1.00 61.44 H new ATOM 0 HG2 GLU A 33 -23.482 -13.619 -8.006 1.00 62.11 H new ATOM 0 HG3 GLU A 33 -21.972 -14.498 -7.871 1.00 62.11 H new ATOM 548 N PHE A 34 -21.350 -10.004 -10.599 1.00 35.21 N ATOM 549 CA PHE A 34 -20.538 -8.869 -11.023 1.00 35.42 C ATOM 550 C PHE A 34 -20.641 -7.723 -10.021 1.00 62.21 C ATOM 551 O PHE A 34 -21.723 -7.419 -9.519 1.00 33.43 O ATOM 552 CB PHE A 34 -20.977 -8.391 -12.408 1.00 42.23 C ATOM 553 CG PHE A 34 -22.369 -7.828 -12.437 1.00 3.25 C ATOM 554 CD1 PHE A 34 -23.459 -8.652 -12.667 1.00 2.15 C ATOM 555 CD2 PHE A 34 -22.588 -6.475 -12.232 1.00 62.13 C ATOM 556 CE1 PHE A 34 -24.741 -8.137 -12.693 1.00 30.25 C ATOM 557 CE2 PHE A 34 -23.867 -5.955 -12.256 1.00 53.51 C ATOM 558 CZ PHE A 34 -24.946 -6.787 -12.488 1.00 52.42 C ATOM 0 H PHE A 34 -22.307 -9.993 -10.952 1.00 35.21 H new ATOM 0 HA PHE A 34 -19.499 -9.195 -11.071 1.00 35.42 H new ATOM 0 HB2 PHE A 34 -20.279 -7.631 -12.759 1.00 42.23 H new ATOM 0 HB3 PHE A 34 -20.917 -9.225 -13.107 1.00 42.23 H new ATOM 0 HD1 PHE A 34 -23.305 -9.709 -12.828 1.00 2.15 H new ATOM 0 HD2 PHE A 34 -21.749 -5.820 -12.051 1.00 62.13 H new ATOM 0 HE1 PHE A 34 -25.582 -8.790 -12.874 1.00 30.25 H new ATOM 0 HE2 PHE A 34 -24.024 -4.899 -12.094 1.00 53.51 H new ATOM 0 HZ PHE A 34 -25.947 -6.382 -12.509 1.00 52.42 H new ATOM 568 N GLU A 35 -19.507 -7.091 -9.735 1.00 20.31 N ATOM 569 CA GLU A 35 -19.469 -5.980 -8.793 1.00 2.12 C ATOM 570 C GLU A 35 -20.207 -4.767 -9.351 1.00 51.22 C ATOM 571 O GLU A 35 -20.429 -4.644 -10.556 1.00 61.54 O ATOM 572 CB GLU A 35 -18.021 -5.605 -8.470 1.00 10.03 C ATOM 573 CG GLU A 35 -17.500 -6.236 -7.190 1.00 23.23 C ATOM 574 CD GLU A 35 -16.914 -7.616 -7.417 1.00 51.12 C ATOM 575 OE1 GLU A 35 -17.449 -8.356 -8.269 1.00 14.54 O ATOM 576 OE2 GLU A 35 -15.920 -7.956 -6.742 1.00 63.41 O ATOM 0 H GLU A 35 -18.603 -7.330 -10.142 1.00 20.31 H new ATOM 0 HA GLU A 35 -19.968 -6.297 -7.877 1.00 2.12 H new ATOM 0 HB2 GLU A 35 -17.382 -5.907 -9.300 1.00 10.03 H new ATOM 0 HB3 GLU A 35 -17.945 -4.521 -8.388 1.00 10.03 H new ATOM 0 HG2 GLU A 35 -16.739 -5.589 -6.754 1.00 23.23 H new ATOM 0 HG3 GLU A 35 -18.312 -6.305 -6.466 1.00 23.23 H new ATOM 946 N LEU A 60 -26.324 -13.176 -10.012 1.00 30.42 N ATOM 947 CA LEU A 60 -27.145 -13.933 -10.951 1.00 13.41 C ATOM 948 C LEU A 60 -26.569 -15.327 -11.178 1.00 40.12 C ATOM 949 O LEU A 60 -25.462 -15.632 -10.734 1.00 14.23 O ATOM 950 CB LEU A 60 -27.250 -13.188 -12.282 1.00 64.21 C ATOM 951 CG LEU A 60 -25.937 -12.978 -13.038 1.00 43.41 C ATOM 952 CD1 LEU A 60 -26.168 -13.047 -14.539 1.00 51.43 C ATOM 953 CD2 LEU A 60 -25.308 -11.646 -12.655 1.00 4.25 C ATOM 0 HA LEU A 60 -28.141 -14.038 -10.521 1.00 13.41 H new ATOM 0 HB2 LEU A 60 -27.935 -13.736 -12.929 1.00 64.21 H new ATOM 0 HB3 LEU A 60 -27.699 -12.212 -12.095 1.00 64.21 H new ATOM 0 HG LEU A 60 -25.249 -13.776 -12.760 1.00 43.41 H new ATOM 0 HD11 LEU A 60 -25.223 -12.895 -15.060 1.00 51.43 H new ATOM 0 HD12 LEU A 60 -26.573 -14.024 -14.800 1.00 51.43 H new ATOM 0 HD13 LEU A 60 -26.874 -12.271 -14.835 1.00 51.43 H new ATOM 0 HD21 LEU A 60 -24.375 -11.514 -13.202 1.00 4.25 H new ATOM 0 HD22 LEU A 60 -25.993 -10.835 -12.904 1.00 4.25 H new ATOM 0 HD23 LEU A 60 -25.105 -11.634 -11.584 1.00 4.25 H new ATOM 965 N SER A 61 -27.325 -16.168 -11.875 1.00 52.31 N ATOM 966 CA SER A 61 -26.890 -17.530 -12.161 1.00 74.13 C ATOM 967 C SER A 61 -26.982 -17.828 -13.654 1.00 55.15 C ATOM 968 O SER A 61 -27.998 -17.551 -14.293 1.00 72.32 O ATOM 969 CB SER A 61 -27.738 -18.534 -11.376 1.00 12.21 C ATOM 970 OG SER A 61 -29.045 -18.034 -11.153 1.00 43.44 O ATOM 0 H SER A 61 -28.242 -15.930 -12.252 1.00 52.31 H new ATOM 0 HA SER A 61 -25.849 -17.625 -11.853 1.00 74.13 H new ATOM 0 HB2 SER A 61 -27.794 -19.475 -11.924 1.00 12.21 H new ATOM 0 HB3 SER A 61 -27.260 -18.750 -10.420 1.00 12.21 H new ATOM 0 HG SER A 61 -29.567 -18.695 -10.651 1.00 43.44 H new ATOM 976 N PHE A 62 -25.914 -18.393 -14.205 1.00 74.42 N ATOM 977 CA PHE A 62 -25.872 -18.729 -15.624 1.00 32.24 C ATOM 978 C PHE A 62 -26.017 -20.234 -15.832 1.00 11.11 C ATOM 979 O PHE A 62 -25.581 -21.032 -15.002 1.00 63.43 O ATOM 980 CB PHE A 62 -24.563 -18.240 -16.247 1.00 25.23 C ATOM 981 CG PHE A 62 -24.602 -16.802 -16.675 1.00 54.12 C ATOM 982 CD1 PHE A 62 -25.381 -16.406 -17.750 1.00 74.34 C ATOM 983 CD2 PHE A 62 -23.861 -15.844 -16.002 1.00 61.25 C ATOM 984 CE1 PHE A 62 -25.420 -15.084 -18.148 1.00 4.24 C ATOM 985 CE2 PHE A 62 -23.895 -14.519 -16.395 1.00 11.41 C ATOM 986 CZ PHE A 62 -24.677 -14.138 -17.468 1.00 3.00 C ATOM 0 H PHE A 62 -25.065 -18.628 -13.691 1.00 74.42 H new ATOM 0 HA PHE A 62 -26.708 -18.231 -16.114 1.00 32.24 H new ATOM 0 HB2 PHE A 62 -23.755 -18.375 -15.528 1.00 25.23 H new ATOM 0 HB3 PHE A 62 -24.327 -18.861 -17.111 1.00 25.23 H new ATOM 0 HD1 PHE A 62 -25.965 -17.141 -18.284 1.00 74.34 H new ATOM 0 HD2 PHE A 62 -23.250 -16.136 -15.161 1.00 61.25 H new ATOM 0 HE1 PHE A 62 -26.030 -14.790 -18.989 1.00 4.24 H new ATOM 0 HE2 PHE A 62 -23.311 -13.782 -15.864 1.00 11.41 H new ATOM 0 HZ PHE A 62 -24.708 -13.103 -17.775 1.00 3.00 H new ATOM 996 N THR A 63 -26.634 -20.614 -16.946 1.00 21.02 N ATOM 997 CA THR A 63 -26.840 -22.022 -17.264 1.00 64.11 C ATOM 998 C THR A 63 -25.510 -22.757 -17.386 1.00 32.23 C ATOM 999 O THR A 63 -25.298 -23.791 -16.750 1.00 13.32 O ATOM 1000 CB THR A 63 -27.630 -22.192 -18.575 1.00 12.13 C ATOM 1001 OG1 THR A 63 -28.639 -21.181 -18.674 1.00 33.03 O ATOM 1002 CG2 THR A 63 -28.275 -23.568 -18.642 1.00 73.54 C ATOM 0 H THR A 63 -27.000 -19.966 -17.644 1.00 21.02 H new ATOM 0 HA THR A 63 -27.416 -22.451 -16.444 1.00 64.11 H new ATOM 0 HB THR A 63 -26.935 -22.093 -19.408 1.00 12.13 H new ATOM 0 HG1 THR A 63 -29.136 -21.295 -19.511 1.00 33.03 H new ATOM 0 HG21 THR A 63 -28.828 -23.666 -19.576 1.00 73.54 H new ATOM 0 HG22 THR A 63 -27.502 -24.335 -18.596 1.00 73.54 H new ATOM 0 HG23 THR A 63 -28.958 -23.691 -17.802 1.00 73.54 H new ATOM 1010 N THR A 64 -24.614 -22.219 -18.207 1.00 3.32 N ATOM 1011 CA THR A 64 -23.304 -22.824 -18.413 1.00 70.12 C ATOM 1012 C THR A 64 -22.189 -21.881 -17.978 1.00 5.13 C ATOM 1013 O THR A 64 -22.437 -20.724 -17.639 1.00 33.25 O ATOM 1014 CB THR A 64 -23.089 -23.209 -19.889 1.00 2.00 C ATOM 1015 OG1 THR A 64 -23.870 -22.358 -20.736 1.00 65.40 O ATOM 1016 CG2 THR A 64 -23.470 -24.661 -20.130 1.00 52.34 C ATOM 0 H THR A 64 -24.772 -21.364 -18.741 1.00 3.32 H new ATOM 0 HA THR A 64 -23.272 -23.726 -17.802 1.00 70.12 H new ATOM 0 HB THR A 64 -22.032 -23.084 -20.124 1.00 2.00 H new ATOM 0 HG1 THR A 64 -23.727 -22.608 -21.673 1.00 65.40 H new ATOM 0 HG21 THR A 64 -23.310 -24.910 -21.179 1.00 52.34 H new ATOM 0 HG22 THR A 64 -22.853 -25.307 -19.505 1.00 52.34 H new ATOM 0 HG23 THR A 64 -24.520 -24.808 -19.879 1.00 52.34 H new ATOM 1024 N ARG A 65 -20.958 -22.383 -17.988 1.00 60.01 N ATOM 1025 CA ARG A 65 -19.803 -21.585 -17.593 1.00 61.53 C ATOM 1026 C ARG A 65 -19.500 -20.515 -18.637 1.00 51.55 C ATOM 1027 O ARG A 65 -19.349 -19.339 -18.308 1.00 5.54 O ATOM 1028 CB ARG A 65 -18.579 -22.482 -17.398 1.00 75.51 C ATOM 1029 CG ARG A 65 -17.283 -21.711 -17.214 1.00 23.32 C ATOM 1030 CD ARG A 65 -16.339 -21.920 -18.388 1.00 35.11 C ATOM 1031 NE ARG A 65 -15.979 -23.326 -18.558 1.00 0.40 N ATOM 1032 CZ ARG A 65 -15.283 -23.786 -19.591 1.00 4.14 C ATOM 1033 NH1 ARG A 65 -14.873 -22.957 -20.542 1.00 34.53 N ATOM 1034 NH2 ARG A 65 -14.993 -25.079 -19.675 1.00 14.33 N ATOM 0 H ARG A 65 -20.735 -23.339 -18.265 1.00 60.01 H new ATOM 0 HA ARG A 65 -20.039 -21.093 -16.649 1.00 61.53 H new ATOM 0 HB2 ARG A 65 -18.740 -23.118 -16.528 1.00 75.51 H new ATOM 0 HB3 ARG A 65 -18.481 -23.141 -18.261 1.00 75.51 H new ATOM 0 HG2 ARG A 65 -17.502 -20.649 -17.107 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -16.796 -22.030 -16.293 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -16.809 -21.553 -19.301 1.00 35.11 H new ATOM 0 HD3 ARG A 65 -15.435 -21.330 -18.236 1.00 35.11 H new ATOM 0 HE ARG A 65 -16.279 -23.990 -17.844 1.00 0.40 H new ATOM 0 HH11 ARG A 65 -15.092 -21.963 -20.481 1.00 34.53 H new ATOM 0 HH12 ARG A 65 -14.339 -23.314 -21.334 1.00 34.53 H new ATOM 0 HH21 ARG A 65 -15.305 -25.720 -18.946 1.00 14.33 H new ATOM 0 HH22 ARG A 65 -14.458 -25.431 -20.469 1.00 14.33 H new ATOM 1048 N GLU A 66 -19.412 -20.931 -19.897 1.00 52.52 N ATOM 1049 CA GLU A 66 -19.126 -20.006 -20.988 1.00 34.41 C ATOM 1050 C GLU A 66 -20.081 -18.816 -20.957 1.00 40.14 C ATOM 1051 O GLU A 66 -19.712 -17.700 -21.325 1.00 4.02 O ATOM 1052 CB GLU A 66 -19.231 -20.724 -22.335 1.00 74.51 C ATOM 1053 CG GLU A 66 -18.824 -19.862 -23.518 1.00 63.04 C ATOM 1054 CD GLU A 66 -18.524 -20.680 -24.760 1.00 11.22 C ATOM 1055 OE1 GLU A 66 -18.064 -21.832 -24.616 1.00 1.43 O ATOM 1056 OE2 GLU A 66 -18.749 -20.165 -25.876 1.00 33.53 O ATOM 0 H GLU A 66 -19.534 -21.901 -20.187 1.00 52.52 H new ATOM 0 HA GLU A 66 -18.109 -19.636 -20.860 1.00 34.41 H new ATOM 0 HB2 GLU A 66 -18.603 -21.615 -22.312 1.00 74.51 H new ATOM 0 HB3 GLU A 66 -20.258 -21.061 -22.478 1.00 74.51 H new ATOM 0 HG2 GLU A 66 -19.622 -19.153 -23.738 1.00 63.04 H new ATOM 0 HG3 GLU A 66 -17.944 -19.277 -23.251 1.00 63.04 H new ATOM 1063 N LEU A 67 -21.310 -19.063 -20.519 1.00 20.44 N ATOM 1064 CA LEU A 67 -22.320 -18.012 -20.441 1.00 32.34 C ATOM 1065 C LEU A 67 -21.822 -16.841 -19.600 1.00 55.32 C ATOM 1066 O LEU A 67 -21.971 -15.681 -19.985 1.00 41.04 O ATOM 1067 CB LEU A 67 -23.616 -18.567 -19.847 1.00 53.21 C ATOM 1068 CG LEU A 67 -24.882 -18.346 -20.675 1.00 70.53 C ATOM 1069 CD1 LEU A 67 -25.070 -16.869 -20.981 1.00 44.23 C ATOM 1070 CD2 LEU A 67 -24.824 -19.157 -21.963 1.00 54.31 C ATOM 0 H LEU A 67 -21.632 -19.981 -20.212 1.00 20.44 H new ATOM 0 HA LEU A 67 -22.515 -17.653 -21.451 1.00 32.34 H new ATOM 0 HB2 LEU A 67 -23.491 -19.638 -19.690 1.00 53.21 H new ATOM 0 HB3 LEU A 67 -23.765 -18.117 -18.866 1.00 53.21 H new ATOM 0 HG LEU A 67 -25.738 -18.686 -20.092 1.00 70.53 H new ATOM 0 HD11 LEU A 67 -25.976 -16.732 -21.571 1.00 44.23 H new ATOM 0 HD12 LEU A 67 -25.157 -16.312 -20.048 1.00 44.23 H new ATOM 0 HD13 LEU A 67 -24.212 -16.502 -21.544 1.00 44.23 H new ATOM 0 HD21 LEU A 67 -25.733 -18.988 -22.541 1.00 54.31 H new ATOM 0 HD22 LEU A 67 -23.959 -18.847 -22.549 1.00 54.31 H new ATOM 0 HD23 LEU A 67 -24.739 -20.217 -21.722 1.00 54.31 H new ATOM 1082 N ALA A 68 -21.230 -17.152 -18.452 1.00 42.23 N ATOM 1083 CA ALA A 68 -20.707 -16.126 -17.560 1.00 45.32 C ATOM 1084 C ALA A 68 -19.584 -15.338 -18.227 1.00 72.13 C ATOM 1085 O ALA A 68 -19.672 -14.120 -18.377 1.00 42.44 O ATOM 1086 CB ALA A 68 -20.216 -16.753 -16.264 1.00 42.50 C ATOM 0 H ALA A 68 -21.101 -18.107 -18.118 1.00 42.23 H new ATOM 0 HA ALA A 68 -21.516 -15.432 -17.332 1.00 45.32 H new ATOM 0 HB1 ALA A 68 -19.828 -15.974 -15.607 1.00 42.50 H new ATOM 0 HB2 ALA A 68 -21.043 -17.265 -15.771 1.00 42.50 H new ATOM 0 HB3 ALA A 68 -19.425 -17.470 -16.484 1.00 42.50 H new ATOM 1092 N ILE A 69 -18.529 -16.042 -18.625 1.00 13.23 N ATOM 1093 CA ILE A 69 -17.390 -15.408 -19.276 1.00 32.31 C ATOM 1094 C ILE A 69 -17.836 -14.567 -20.468 1.00 31.15 C ATOM 1095 O ILE A 69 -17.323 -13.471 -20.693 1.00 61.33 O ATOM 1096 CB ILE A 69 -16.363 -16.451 -19.755 1.00 31.44 C ATOM 1097 CG1 ILE A 69 -15.858 -17.280 -18.572 1.00 22.51 C ATOM 1098 CG2 ILE A 69 -15.204 -15.768 -20.464 1.00 1.25 C ATOM 1099 CD1 ILE A 69 -16.544 -18.622 -18.436 1.00 50.15 C ATOM 0 H ILE A 69 -18.440 -17.051 -18.508 1.00 13.23 H new ATOM 0 HA ILE A 69 -16.921 -14.762 -18.533 1.00 32.31 H new ATOM 0 HB ILE A 69 -16.851 -17.121 -20.463 1.00 31.44 H new ATOM 0 HG12 ILE A 69 -14.785 -17.439 -18.682 1.00 22.51 H new ATOM 0 HG13 ILE A 69 -16.003 -16.712 -17.653 1.00 22.51 H new ATOM 0 HG21 ILE A 69 -14.487 -16.519 -20.796 1.00 1.25 H new ATOM 0 HG22 ILE A 69 -15.579 -15.217 -21.327 1.00 1.25 H new ATOM 0 HG23 ILE A 69 -14.714 -15.077 -19.778 1.00 1.25 H new ATOM 0 HD11 ILE A 69 -16.135 -19.154 -17.577 1.00 50.15 H new ATOM 0 HD12 ILE A 69 -17.614 -18.471 -18.294 1.00 50.15 H new ATOM 0 HD13 ILE A 69 -16.377 -19.209 -19.339 1.00 50.15 H new ATOM 1111 N ALA A 70 -18.796 -15.087 -21.225 1.00 60.12 N ATOM 1112 CA ALA A 70 -19.314 -14.381 -22.392 1.00 34.43 C ATOM 1113 C ALA A 70 -19.835 -13.000 -22.011 1.00 71.13 C ATOM 1114 O ALA A 70 -19.879 -12.092 -22.842 1.00 34.45 O ATOM 1115 CB ALA A 70 -20.412 -15.198 -23.057 1.00 31.04 C ATOM 0 H ALA A 70 -19.231 -15.993 -21.052 1.00 60.12 H new ATOM 0 HA ALA A 70 -18.496 -14.248 -23.100 1.00 34.43 H new ATOM 0 HB1 ALA A 70 -20.790 -14.660 -23.926 1.00 31.04 H new ATOM 0 HB2 ALA A 70 -20.009 -16.160 -23.373 1.00 31.04 H new ATOM 0 HB3 ALA A 70 -21.225 -15.360 -22.349 1.00 31.04 H new ATOM 1121 N TYR A 71 -20.229 -12.848 -20.752 1.00 15.13 N ATOM 1122 CA TYR A 71 -20.751 -11.578 -20.263 1.00 11.53 C ATOM 1123 C TYR A 71 -19.616 -10.615 -19.929 1.00 3.12 C ATOM 1124 O TYR A 71 -19.585 -9.483 -20.412 1.00 30.45 O ATOM 1125 CB TYR A 71 -21.624 -11.803 -19.026 1.00 51.03 C ATOM 1126 CG TYR A 71 -22.213 -10.531 -18.461 1.00 42.01 C ATOM 1127 CD1 TYR A 71 -22.750 -9.558 -19.296 1.00 63.30 C ATOM 1128 CD2 TYR A 71 -22.235 -10.301 -17.091 1.00 1.23 C ATOM 1129 CE1 TYR A 71 -23.288 -8.394 -18.784 1.00 72.32 C ATOM 1130 CE2 TYR A 71 -22.773 -9.140 -16.570 1.00 2.44 C ATOM 1131 CZ TYR A 71 -23.298 -8.190 -17.421 1.00 5.05 C ATOM 1132 OH TYR A 71 -23.834 -7.031 -16.906 1.00 72.41 O ATOM 0 H TYR A 71 -20.197 -13.589 -20.051 1.00 15.13 H new ATOM 0 HA TYR A 71 -21.358 -11.136 -21.053 1.00 11.53 H new ATOM 0 HB2 TYR A 71 -22.434 -12.486 -19.283 1.00 51.03 H new ATOM 0 HB3 TYR A 71 -21.028 -12.291 -18.255 1.00 51.03 H new ATOM 0 HD1 TYR A 71 -22.746 -9.715 -20.364 1.00 63.30 H new ATOM 0 HD2 TYR A 71 -21.824 -11.043 -16.422 1.00 1.23 H new ATOM 0 HE1 TYR A 71 -23.699 -7.648 -19.448 1.00 72.32 H new ATOM 0 HE2 TYR A 71 -22.782 -8.977 -15.502 1.00 2.44 H new ATOM 0 HH TYR A 71 -23.764 -7.044 -15.929 1.00 72.41 H new ATOM 1142 N ALA A 72 -18.684 -11.074 -19.099 1.00 31.30 N ATOM 1143 CA ALA A 72 -17.546 -10.256 -18.702 1.00 25.21 C ATOM 1144 C ALA A 72 -16.708 -9.856 -19.912 1.00 2.40 C ATOM 1145 O ALA A 72 -16.462 -8.673 -20.146 1.00 52.12 O ATOM 1146 CB ALA A 72 -16.689 -11.000 -17.688 1.00 22.01 C ATOM 0 H ALA A 72 -18.696 -12.008 -18.689 1.00 31.30 H new ATOM 0 HA ALA A 72 -17.929 -9.346 -18.240 1.00 25.21 H new ATOM 0 HB1 ALA A 72 -15.842 -10.377 -17.400 1.00 22.01 H new ATOM 0 HB2 ALA A 72 -17.286 -11.230 -16.806 1.00 22.01 H new ATOM 0 HB3 ALA A 72 -16.324 -11.927 -18.131 1.00 22.01 H new ATOM 1152 N VAL A 73 -16.271 -10.851 -20.679 1.00 54.55 N ATOM 1153 CA VAL A 73 -15.462 -10.602 -21.866 1.00 31.03 C ATOM 1154 C VAL A 73 -16.122 -9.572 -22.775 1.00 60.24 C ATOM 1155 O VAL A 73 -15.443 -8.815 -23.468 1.00 3.23 O ATOM 1156 CB VAL A 73 -15.224 -11.898 -22.664 1.00 25.15 C ATOM 1157 CG1 VAL A 73 -14.411 -11.611 -23.917 1.00 61.54 C ATOM 1158 CG2 VAL A 73 -14.530 -12.938 -21.796 1.00 15.22 C ATOM 0 H VAL A 73 -16.464 -11.836 -20.499 1.00 54.55 H new ATOM 0 HA VAL A 73 -14.503 -10.215 -21.521 1.00 31.03 H new ATOM 0 HB VAL A 73 -16.190 -12.299 -22.970 1.00 25.15 H new ATOM 0 HG11 VAL A 73 -14.253 -12.538 -24.468 1.00 61.54 H new ATOM 0 HG12 VAL A 73 -14.950 -10.902 -24.546 1.00 61.54 H new ATOM 0 HG13 VAL A 73 -13.447 -11.187 -23.636 1.00 61.54 H new ATOM 0 HG21 VAL A 73 -14.370 -13.847 -22.376 1.00 15.22 H new ATOM 0 HG22 VAL A 73 -13.569 -12.548 -21.459 1.00 15.22 H new ATOM 0 HG23 VAL A 73 -15.153 -13.164 -20.931 1.00 15.22 H new ATOM 1168 N ALA A 74 -17.451 -9.550 -22.769 1.00 51.12 N ATOM 1169 CA ALA A 74 -18.203 -8.611 -23.593 1.00 33.35 C ATOM 1170 C ALA A 74 -17.716 -7.182 -23.380 1.00 10.21 C ATOM 1171 O ALA A 74 -17.770 -6.355 -24.291 1.00 13.03 O ATOM 1172 CB ALA A 74 -19.690 -8.716 -23.286 1.00 2.44 C ATOM 0 H ALA A 74 -18.029 -10.171 -22.203 1.00 51.12 H new ATOM 0 HA ALA A 74 -18.039 -8.870 -24.639 1.00 33.35 H new ATOM 0 HB1 ALA A 74 -20.241 -8.010 -23.908 1.00 2.44 H new ATOM 0 HB2 ALA A 74 -20.034 -9.729 -23.495 1.00 2.44 H new ATOM 0 HB3 ALA A 74 -19.862 -8.485 -22.235 1.00 2.44 H new ATOM 1178 N HIS A 75 -17.240 -6.898 -22.172 1.00 10.20 N ATOM 1179 CA HIS A 75 -16.743 -5.567 -21.840 1.00 61.21 C ATOM 1180 C HIS A 75 -15.333 -5.643 -21.262 1.00 45.01 C ATOM 1181 O HIS A 75 -14.909 -4.762 -20.513 1.00 73.02 O ATOM 1182 CB HIS A 75 -17.680 -4.883 -20.842 1.00 63.45 C ATOM 1183 CG HIS A 75 -18.837 -4.188 -21.489 1.00 1.13 C ATOM 1184 ND1 HIS A 75 -20.144 -4.373 -21.091 1.00 51.51 N ATOM 1185 CD2 HIS A 75 -18.878 -3.299 -22.510 1.00 73.52 C ATOM 1186 CE1 HIS A 75 -20.940 -3.631 -21.841 1.00 12.03 C ATOM 1187 NE2 HIS A 75 -20.197 -2.970 -22.710 1.00 44.41 N ATOM 0 H HIS A 75 -17.188 -7.571 -21.407 1.00 10.20 H new ATOM 0 HA HIS A 75 -16.710 -4.979 -22.757 1.00 61.21 H new ATOM 0 HB2 HIS A 75 -18.059 -5.628 -20.142 1.00 63.45 H new ATOM 0 HB3 HIS A 75 -17.111 -4.159 -20.259 1.00 63.45 H new ATOM 0 HD2 HIS A 75 -18.032 -2.920 -23.064 1.00 73.52 H new ATOM 0 HE1 HIS A 75 -22.015 -3.575 -21.757 1.00 12.03 H new ATOM 0 HE2 HIS A 75 -20.546 -2.321 -23.415 1.00 44.41 H new ATOM 1195 N LYS A 76 -14.610 -6.700 -21.614 1.00 55.11 N ATOM 1196 CA LYS A 76 -13.247 -6.892 -21.131 1.00 52.32 C ATOM 1197 C LYS A 76 -13.187 -6.774 -19.611 1.00 63.32 C ATOM 1198 O LYS A 76 -12.467 -5.933 -19.073 1.00 53.34 O ATOM 1199 CB LYS A 76 -12.310 -5.866 -21.771 1.00 1.32 C ATOM 1200 CG LYS A 76 -11.951 -6.184 -23.212 1.00 20.21 C ATOM 1201 CD LYS A 76 -13.013 -5.682 -24.175 1.00 45.10 C ATOM 1202 CE LYS A 76 -12.640 -5.978 -25.619 1.00 74.10 C ATOM 1203 NZ LYS A 76 -13.810 -5.846 -26.532 1.00 51.25 N ATOM 0 H LYS A 76 -14.945 -7.438 -22.233 1.00 55.11 H new ATOM 0 HA LYS A 76 -12.925 -7.895 -21.412 1.00 52.32 H new ATOM 0 HB2 LYS A 76 -12.780 -4.883 -21.731 1.00 1.32 H new ATOM 0 HB3 LYS A 76 -11.395 -5.806 -21.182 1.00 1.32 H new ATOM 0 HG2 LYS A 76 -10.991 -5.729 -23.458 1.00 20.21 H new ATOM 0 HG3 LYS A 76 -11.832 -7.261 -23.329 1.00 20.21 H new ATOM 0 HD2 LYS A 76 -13.969 -6.151 -23.941 1.00 45.10 H new ATOM 0 HD3 LYS A 76 -13.145 -4.608 -24.045 1.00 45.10 H new ATOM 0 HE2 LYS A 76 -11.852 -5.296 -25.938 1.00 74.10 H new ATOM 0 HE3 LYS A 76 -12.236 -6.988 -25.690 1.00 74.10 H new ATOM 0 HZ1 LYS A 76 -13.515 -6.056 -27.507 1.00 51.25 H new ATOM 0 HZ2 LYS A 76 -14.553 -6.515 -26.244 1.00 51.25 H new ATOM 0 HZ3 LYS A 76 -14.180 -4.875 -26.484 1.00 51.25 H new ATOM 1217 N ILE A 77 -13.945 -7.624 -18.927 1.00 12.14 N ATOM 1218 CA ILE A 77 -13.974 -7.616 -17.470 1.00 35.25 C ATOM 1219 C ILE A 77 -13.231 -8.819 -16.898 1.00 10.15 C ATOM 1220 O ILE A 77 -13.281 -9.915 -17.456 1.00 74.40 O ATOM 1221 CB ILE A 77 -15.419 -7.619 -16.936 1.00 11.42 C ATOM 1222 CG1 ILE A 77 -16.181 -6.399 -17.458 1.00 34.40 C ATOM 1223 CG2 ILE A 77 -15.422 -7.641 -15.414 1.00 3.52 C ATOM 1224 CD1 ILE A 77 -17.679 -6.496 -17.271 1.00 30.32 C ATOM 0 H ILE A 77 -14.547 -8.326 -19.358 1.00 12.14 H new ATOM 0 HA ILE A 77 -13.478 -6.700 -17.150 1.00 35.25 H new ATOM 0 HB ILE A 77 -15.921 -8.518 -17.294 1.00 11.42 H new ATOM 0 HG12 ILE A 77 -15.816 -5.507 -16.948 1.00 34.40 H new ATOM 0 HG13 ILE A 77 -15.963 -6.271 -18.518 1.00 34.40 H new ATOM 0 HG21 ILE A 77 -16.450 -7.643 -15.052 1.00 3.52 H new ATOM 0 HG22 ILE A 77 -14.912 -8.538 -15.062 1.00 3.52 H new ATOM 0 HG23 ILE A 77 -14.906 -6.758 -15.036 1.00 3.52 H new ATOM 0 HD11 ILE A 77 -18.154 -5.597 -17.664 1.00 30.32 H new ATOM 0 HD12 ILE A 77 -18.057 -7.368 -17.805 1.00 30.32 H new ATOM 0 HD13 ILE A 77 -17.908 -6.593 -16.210 1.00 30.32 H new ATOM 1236 N ASP A 78 -12.543 -8.607 -15.781 1.00 54.14 N ATOM 1237 CA ASP A 78 -11.791 -9.674 -15.132 1.00 70.12 C ATOM 1238 C ASP A 78 -12.732 -10.685 -14.485 1.00 72.30 C ATOM 1239 O ASP A 78 -13.256 -10.453 -13.395 1.00 24.13 O ATOM 1240 CB ASP A 78 -10.845 -9.094 -14.080 1.00 54.12 C ATOM 1241 CG ASP A 78 -9.641 -8.411 -14.698 1.00 70.22 C ATOM 1242 OD1 ASP A 78 -9.376 -8.646 -15.895 1.00 53.35 O ATOM 1243 OD2 ASP A 78 -8.962 -7.643 -13.984 1.00 31.52 O ATOM 0 H ASP A 78 -12.491 -7.706 -15.306 1.00 54.14 H new ATOM 0 HA ASP A 78 -11.204 -10.186 -15.894 1.00 70.12 H new ATOM 0 HB2 ASP A 78 -11.388 -8.378 -13.463 1.00 54.12 H new ATOM 0 HB3 ASP A 78 -10.507 -9.893 -13.420 1.00 54.12 H new ATOM 1248 N TYR A 79 -12.944 -11.808 -15.164 1.00 24.12 N ATOM 1249 CA TYR A 79 -13.825 -12.853 -14.657 1.00 22.33 C ATOM 1250 C TYR A 79 -13.021 -13.980 -14.015 1.00 65.01 C ATOM 1251 O TYR A 79 -12.061 -14.485 -14.599 1.00 50.20 O ATOM 1252 CB TYR A 79 -14.693 -13.411 -15.787 1.00 1.54 C ATOM 1253 CG TYR A 79 -13.895 -14.020 -16.919 1.00 15.43 C ATOM 1254 CD1 TYR A 79 -13.471 -13.246 -17.991 1.00 45.51 C ATOM 1255 CD2 TYR A 79 -13.567 -15.370 -16.914 1.00 51.25 C ATOM 1256 CE1 TYR A 79 -12.743 -13.798 -19.027 1.00 44.41 C ATOM 1257 CE2 TYR A 79 -12.838 -15.931 -17.946 1.00 15.42 C ATOM 1258 CZ TYR A 79 -12.429 -15.141 -19.000 1.00 2.21 C ATOM 1259 OH TYR A 79 -11.704 -15.694 -20.029 1.00 61.12 O ATOM 0 H TYR A 79 -12.518 -12.017 -16.067 1.00 24.12 H new ATOM 0 HA TYR A 79 -14.469 -12.412 -13.897 1.00 22.33 H new ATOM 0 HB2 TYR A 79 -15.364 -14.167 -15.379 1.00 1.54 H new ATOM 0 HB3 TYR A 79 -15.318 -12.610 -16.183 1.00 1.54 H new ATOM 0 HD1 TYR A 79 -13.715 -12.194 -18.015 1.00 45.51 H new ATOM 0 HD2 TYR A 79 -13.887 -15.991 -16.090 1.00 51.25 H new ATOM 0 HE1 TYR A 79 -12.421 -13.182 -19.853 1.00 44.41 H new ATOM 0 HE2 TYR A 79 -12.590 -16.982 -17.927 1.00 15.42 H new ATOM 0 HH TYR A 79 -11.567 -16.649 -19.856 1.00 61.12 H new ATOM 1269 N THR A 80 -13.419 -14.370 -12.808 1.00 53.25 N ATOM 1270 CA THR A 80 -12.737 -15.436 -12.086 1.00 11.33 C ATOM 1271 C THR A 80 -13.633 -16.660 -11.936 1.00 14.15 C ATOM 1272 O THR A 80 -14.718 -16.580 -11.358 1.00 61.10 O ATOM 1273 CB THR A 80 -12.287 -14.969 -10.689 1.00 74.14 C ATOM 1274 OG1 THR A 80 -11.696 -16.060 -9.974 1.00 72.43 O ATOM 1275 CG2 THR A 80 -13.463 -14.415 -9.898 1.00 70.02 C ATOM 0 H THR A 80 -14.211 -13.963 -12.310 1.00 53.25 H new ATOM 0 HA THR A 80 -11.858 -15.703 -12.673 1.00 11.33 H new ATOM 0 HB THR A 80 -11.549 -14.176 -10.816 1.00 74.14 H new ATOM 0 HG1 THR A 80 -11.411 -15.754 -9.088 1.00 72.43 H new ATOM 0 HG21 THR A 80 -13.120 -14.092 -8.915 1.00 70.02 H new ATOM 0 HG22 THR A 80 -13.892 -13.566 -10.430 1.00 70.02 H new ATOM 0 HG23 THR A 80 -14.220 -15.190 -9.781 1.00 70.02 H new ATOM 1283 N VAL A 81 -13.175 -17.792 -12.460 1.00 3.13 N ATOM 1284 CA VAL A 81 -13.935 -19.034 -12.381 1.00 61.20 C ATOM 1285 C VAL A 81 -13.512 -19.862 -11.173 1.00 70.03 C ATOM 1286 O VAL A 81 -12.351 -20.256 -11.051 1.00 54.34 O ATOM 1287 CB VAL A 81 -13.760 -19.880 -13.656 1.00 40.53 C ATOM 1288 CG1 VAL A 81 -14.439 -19.208 -14.840 1.00 64.42 C ATOM 1289 CG2 VAL A 81 -12.284 -20.115 -13.941 1.00 34.34 C ATOM 0 H VAL A 81 -12.281 -17.875 -12.944 1.00 3.13 H new ATOM 0 HA VAL A 81 -14.984 -18.757 -12.278 1.00 61.20 H new ATOM 0 HB VAL A 81 -14.235 -20.848 -13.497 1.00 40.53 H new ATOM 0 HG11 VAL A 81 -14.305 -19.820 -15.732 1.00 64.42 H new ATOM 0 HG12 VAL A 81 -15.503 -19.096 -14.634 1.00 64.42 H new ATOM 0 HG13 VAL A 81 -13.996 -18.226 -15.004 1.00 64.42 H new ATOM 0 HG21 VAL A 81 -12.179 -20.714 -14.845 1.00 34.34 H new ATOM 0 HG22 VAL A 81 -11.783 -19.157 -14.081 1.00 34.34 H new ATOM 0 HG23 VAL A 81 -11.831 -20.642 -13.102 1.00 34.34 H new ATOM 1299 N LEU A 82 -14.462 -20.124 -10.281 1.00 60.43 N ATOM 1300 CA LEU A 82 -14.189 -20.907 -9.082 1.00 0.53 C ATOM 1301 C LEU A 82 -14.853 -22.277 -9.163 1.00 63.41 C ATOM 1302 O LEU A 82 -16.074 -22.392 -9.062 1.00 23.40 O ATOM 1303 CB LEU A 82 -14.682 -20.161 -7.839 1.00 60.35 C ATOM 1304 CG LEU A 82 -13.611 -19.443 -7.019 1.00 3.05 C ATOM 1305 CD1 LEU A 82 -14.245 -18.411 -6.100 1.00 1.25 C ATOM 1306 CD2 LEU A 82 -12.793 -20.443 -6.216 1.00 20.52 C ATOM 0 H LEU A 82 -15.427 -19.805 -10.366 1.00 60.43 H new ATOM 0 HA LEU A 82 -13.111 -21.050 -9.009 1.00 0.53 H new ATOM 0 HB2 LEU A 82 -15.425 -19.427 -8.151 1.00 60.35 H new ATOM 0 HB3 LEU A 82 -15.191 -20.874 -7.190 1.00 60.35 H new ATOM 0 HG LEU A 82 -12.942 -18.926 -7.706 1.00 3.05 H new ATOM 0 HD11 LEU A 82 -13.467 -17.910 -5.524 1.00 1.25 H new ATOM 0 HD12 LEU A 82 -14.785 -17.676 -6.696 1.00 1.25 H new ATOM 0 HD13 LEU A 82 -14.938 -18.906 -5.420 1.00 1.25 H new ATOM 0 HD21 LEU A 82 -12.035 -19.913 -5.639 1.00 20.52 H new ATOM 0 HD22 LEU A 82 -13.449 -20.989 -5.539 1.00 20.52 H new ATOM 0 HD23 LEU A 82 -12.307 -21.144 -6.895 1.00 20.52 H new