USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 588 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 592 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 542 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 543 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 TYR OH : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 CYS SG : rot 60:sc= 0.203 USER MOD Single : A 564 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.6!) USER MOD Single : A 570 MET CE :methyl 137:sc= -3.5 (180deg=-11.4!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.028) USER MOD Single : A 581 GLN : amide:sc= -5.77! C(o=-5.8!,f=-12!) USER MOD Single : A 589 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.0047) USER MOD Single : A 595 SER OG : rot 180:sc=-0.00487 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 7.206 17.674 -13.737 1.00 4.20 N ATOM 2 CA GLY A 540 6.289 16.666 -14.234 1.00 64.51 C ATOM 3 C GLY A 540 5.001 17.265 -14.763 1.00 0.22 C ATOM 4 O GLY A 540 4.756 18.466 -14.647 1.00 62.23 O ATOM 0 HA2 GLY A 540 6.774 16.097 -15.027 1.00 64.51 H new ATOM 0 HA3 GLY A 540 6.058 15.963 -13.434 1.00 64.51 H new ATOM 8 N PRO A 541 4.151 16.417 -15.360 1.00 52.21 N ATOM 9 CA PRO A 541 2.867 16.848 -15.922 1.00 74.13 C ATOM 10 C PRO A 541 1.866 17.245 -14.842 1.00 70.44 C ATOM 11 O PRO A 541 1.131 18.222 -14.991 1.00 21.32 O ATOM 12 CB PRO A 541 2.377 15.609 -16.677 1.00 52.10 C ATOM 13 CG PRO A 541 3.039 14.462 -15.995 1.00 2.40 C ATOM 14 CD PRO A 541 4.378 14.972 -15.534 1.00 34.14 C ATOM 0 HA PRO A 541 2.973 17.733 -16.550 1.00 74.13 H new ATOM 0 HB2 PRO A 541 1.291 15.522 -16.633 1.00 52.10 H new ATOM 0 HB3 PRO A 541 2.651 15.654 -17.731 1.00 52.10 H new ATOM 0 HG2 PRO A 541 2.443 14.112 -15.152 1.00 2.40 H new ATOM 0 HG3 PRO A 541 3.156 13.618 -16.675 1.00 2.40 H new ATOM 0 HD2 PRO A 541 4.689 14.499 -14.603 1.00 34.14 H new ATOM 0 HD3 PRO A 541 5.158 14.773 -16.269 1.00 34.14 H new ATOM 22 N HIS A 542 1.841 16.480 -13.754 1.00 43.34 N ATOM 23 CA HIS A 542 0.931 16.753 -12.649 1.00 31.13 C ATOM 24 C HIS A 542 1.661 17.446 -11.502 1.00 71.51 C ATOM 25 O HIS A 542 2.826 17.158 -11.231 1.00 63.44 O ATOM 26 CB HIS A 542 0.293 15.455 -12.154 1.00 23.25 C ATOM 27 CG HIS A 542 -0.786 14.936 -13.053 1.00 31.32 C ATOM 28 ND1 HIS A 542 -2.103 15.333 -12.956 1.00 22.11 N ATOM 29 CD2 HIS A 542 -0.736 14.048 -14.073 1.00 32.31 C ATOM 30 CE1 HIS A 542 -2.817 14.710 -13.876 1.00 31.45 C ATOM 31 NE2 HIS A 542 -2.012 13.925 -14.568 1.00 22.34 N ATOM 0 H HIS A 542 2.441 15.667 -13.615 1.00 43.34 H new ATOM 0 HA HIS A 542 0.148 17.419 -13.011 1.00 31.13 H new ATOM 0 HB2 HIS A 542 1.068 14.695 -12.054 1.00 23.25 H new ATOM 0 HB3 HIS A 542 -0.122 15.620 -11.160 1.00 23.25 H new ATOM 0 HD2 HIS A 542 0.143 13.532 -14.431 1.00 32.31 H new ATOM 0 HE1 HIS A 542 -3.879 14.823 -14.035 1.00 31.45 H new ATOM 0 HE2 HIS A 542 -2.292 13.325 -15.344 1.00 22.34 H new ATOM 40 N MET A 543 0.967 18.359 -10.831 1.00 51.31 N ATOM 41 CA MET A 543 1.550 19.093 -9.713 1.00 23.41 C ATOM 42 C MET A 543 1.186 18.437 -8.385 1.00 22.21 C ATOM 43 O MET A 543 0.010 18.301 -8.051 1.00 51.14 O ATOM 44 CB MET A 543 1.075 20.547 -9.725 1.00 20.21 C ATOM 45 CG MET A 543 1.657 21.367 -10.866 1.00 22.44 C ATOM 46 SD MET A 543 3.218 22.154 -10.429 1.00 61.21 S ATOM 47 CE MET A 543 2.663 23.809 -10.027 1.00 74.31 C ATOM 0 H MET A 543 0.001 18.609 -11.041 1.00 51.31 H new ATOM 0 HA MET A 543 2.634 19.073 -9.823 1.00 23.41 H new ATOM 0 HB2 MET A 543 -0.013 20.565 -9.794 1.00 20.21 H new ATOM 0 HB3 MET A 543 1.342 21.016 -8.778 1.00 20.21 H new ATOM 0 HG2 MET A 543 1.810 20.722 -11.731 1.00 22.44 H new ATOM 0 HG3 MET A 543 0.939 22.132 -11.162 1.00 22.44 H new ATOM 0 HE1 MET A 543 3.518 24.419 -9.736 1.00 74.31 H new ATOM 0 HE2 MET A 543 2.180 24.253 -10.898 1.00 74.31 H new ATOM 0 HE3 MET A 543 1.952 23.764 -9.202 1.00 74.31 H new ATOM 57 N GLY A 544 2.203 18.034 -7.629 1.00 64.45 N ATOM 58 CA GLY A 544 1.968 17.397 -6.347 1.00 64.20 C ATOM 59 C GLY A 544 3.181 16.639 -5.845 1.00 42.42 C ATOM 60 O GLY A 544 3.875 15.981 -6.620 1.00 32.01 O ATOM 0 H GLY A 544 3.186 18.138 -7.882 1.00 64.45 H new ATOM 0 HA2 GLY A 544 1.688 18.154 -5.615 1.00 64.20 H new ATOM 0 HA3 GLY A 544 1.125 16.711 -6.435 1.00 64.20 H new ATOM 64 N ASP A 545 3.438 16.732 -4.545 1.00 63.21 N ATOM 65 CA ASP A 545 4.577 16.050 -3.940 1.00 40.25 C ATOM 66 C ASP A 545 4.260 14.578 -3.694 1.00 63.10 C ATOM 67 O ASP A 545 5.157 13.733 -3.676 1.00 11.43 O ATOM 68 CB ASP A 545 4.966 16.729 -2.625 1.00 73.43 C ATOM 69 CG ASP A 545 3.780 16.919 -1.700 1.00 51.24 C ATOM 70 OD1 ASP A 545 3.550 16.043 -0.841 1.00 31.42 O ATOM 71 OD2 ASP A 545 3.081 17.946 -1.835 1.00 43.15 O ATOM 0 H ASP A 545 2.873 17.273 -3.890 1.00 63.21 H new ATOM 0 HA ASP A 545 5.416 16.111 -4.633 1.00 40.25 H new ATOM 0 HB2 ASP A 545 5.724 16.130 -2.121 1.00 73.43 H new ATOM 0 HB3 ASP A 545 5.416 17.699 -2.839 1.00 73.43 H new ATOM 77 N LEU A 546 2.980 14.278 -3.503 1.00 23.33 N ATOM 78 CA LEU A 546 2.545 12.908 -3.256 1.00 35.32 C ATOM 79 C LEU A 546 3.065 11.968 -4.339 1.00 71.23 C ATOM 80 O LEU A 546 3.381 10.810 -4.070 1.00 22.52 O ATOM 81 CB LEU A 546 1.018 12.840 -3.195 1.00 55.14 C ATOM 82 CG LEU A 546 0.429 11.897 -2.146 1.00 41.51 C ATOM 83 CD1 LEU A 546 -1.091 11.952 -2.172 1.00 74.14 C ATOM 84 CD2 LEU A 546 0.917 10.474 -2.374 1.00 33.43 C ATOM 0 H LEU A 546 2.226 14.965 -3.514 1.00 23.33 H new ATOM 0 HA LEU A 546 2.955 12.590 -2.297 1.00 35.32 H new ATOM 0 HB2 LEU A 546 0.637 13.844 -3.007 1.00 55.14 H new ATOM 0 HB3 LEU A 546 0.648 12.537 -4.175 1.00 55.14 H new ATOM 0 HG LEU A 546 0.767 12.222 -1.162 1.00 41.51 H new ATOM 0 HD11 LEU A 546 -1.493 11.274 -1.419 1.00 74.14 H new ATOM 0 HD12 LEU A 546 -1.422 12.968 -1.959 1.00 74.14 H new ATOM 0 HD13 LEU A 546 -1.449 11.653 -3.157 1.00 74.14 H new ATOM 0 HD21 LEU A 546 0.488 9.817 -1.618 1.00 33.43 H new ATOM 0 HD22 LEU A 546 0.609 10.138 -3.364 1.00 33.43 H new ATOM 0 HD23 LEU A 546 2.004 10.447 -2.303 1.00 33.43 H new ATOM 96 N ALA A 547 3.151 12.476 -5.564 1.00 64.30 N ATOM 97 CA ALA A 547 3.636 11.682 -6.687 1.00 44.24 C ATOM 98 C ALA A 547 5.055 11.183 -6.434 1.00 31.40 C ATOM 99 O ALA A 547 5.431 10.098 -6.878 1.00 53.42 O ATOM 100 CB ALA A 547 3.583 12.498 -7.971 1.00 64.43 C ATOM 0 H ALA A 547 2.891 13.433 -5.804 1.00 64.30 H new ATOM 0 HA ALA A 547 2.987 10.813 -6.794 1.00 44.24 H new ATOM 0 HB1 ALA A 547 3.948 11.894 -8.802 1.00 64.43 H new ATOM 0 HB2 ALA A 547 2.555 12.801 -8.167 1.00 64.43 H new ATOM 0 HB3 ALA A 547 4.209 13.384 -7.865 1.00 64.43 H new ATOM 106 N LYS A 548 5.840 11.981 -5.717 1.00 74.15 N ATOM 107 CA LYS A 548 7.217 11.621 -5.405 1.00 32.23 C ATOM 108 C LYS A 548 7.264 10.468 -4.406 1.00 14.40 C ATOM 109 O LYS A 548 8.093 9.567 -4.524 1.00 15.11 O ATOM 110 CB LYS A 548 7.966 12.830 -4.841 1.00 2.24 C ATOM 111 CG LYS A 548 9.478 12.712 -4.946 1.00 33.02 C ATOM 112 CD LYS A 548 9.953 12.893 -6.378 1.00 1.25 C ATOM 113 CE LYS A 548 9.752 14.323 -6.854 1.00 71.45 C ATOM 114 NZ LYS A 548 10.335 14.543 -8.207 1.00 15.12 N ATOM 0 H LYS A 548 5.545 12.882 -5.341 1.00 74.15 H new ATOM 0 HA LYS A 548 7.701 11.300 -6.327 1.00 32.23 H new ATOM 0 HB2 LYS A 548 7.642 13.727 -5.370 1.00 2.24 H new ATOM 0 HB3 LYS A 548 7.692 12.961 -3.794 1.00 2.24 H new ATOM 0 HG2 LYS A 548 9.948 13.461 -4.308 1.00 33.02 H new ATOM 0 HG3 LYS A 548 9.794 11.736 -4.577 1.00 33.02 H new ATOM 0 HD2 LYS A 548 11.008 12.630 -6.449 1.00 1.25 H new ATOM 0 HD3 LYS A 548 9.410 12.211 -7.032 1.00 1.25 H new ATOM 0 HE2 LYS A 548 8.687 14.552 -6.876 1.00 71.45 H new ATOM 0 HE3 LYS A 548 10.212 15.010 -6.144 1.00 71.45 H new ATOM 0 HZ1 LYS A 548 10.178 15.529 -8.497 1.00 15.12 H new ATOM 0 HZ2 LYS A 548 11.356 14.348 -8.181 1.00 15.12 H new ATOM 0 HZ3 LYS A 548 9.879 13.905 -8.890 1.00 15.12 H new ATOM 128 N GLU A 549 6.368 10.506 -3.424 1.00 22.34 N ATOM 129 CA GLU A 549 6.309 9.464 -2.406 1.00 21.41 C ATOM 130 C GLU A 549 5.990 8.109 -3.032 1.00 14.44 C ATOM 131 O GLU A 549 6.773 7.165 -2.927 1.00 53.45 O ATOM 132 CB GLU A 549 5.257 9.811 -1.350 1.00 12.11 C ATOM 133 CG GLU A 549 5.833 10.008 0.042 1.00 61.33 C ATOM 134 CD GLU A 549 6.659 8.823 0.505 1.00 43.55 C ATOM 135 OE1 GLU A 549 6.094 7.929 1.168 1.00 51.34 O ATOM 136 OE2 GLU A 549 7.871 8.791 0.203 1.00 62.40 O ATOM 0 H GLU A 549 5.675 11.246 -3.312 1.00 22.34 H new ATOM 0 HA GLU A 549 7.287 9.403 -1.928 1.00 21.41 H new ATOM 0 HB2 GLU A 549 4.738 10.721 -1.651 1.00 12.11 H new ATOM 0 HB3 GLU A 549 4.512 9.016 -1.317 1.00 12.11 H new ATOM 0 HG2 GLU A 549 6.453 10.904 0.051 1.00 61.33 H new ATOM 0 HG3 GLU A 549 5.019 10.177 0.747 1.00 61.33 H new ATOM 144 N ARG A 550 4.833 8.022 -3.680 1.00 73.12 N ATOM 145 CA ARG A 550 4.408 6.783 -4.321 1.00 61.54 C ATOM 146 C ARG A 550 5.493 6.255 -5.255 1.00 20.30 C ATOM 147 O ARG A 550 5.713 5.047 -5.348 1.00 14.54 O ATOM 148 CB ARG A 550 3.112 7.006 -5.102 1.00 62.13 C ATOM 149 CG ARG A 550 2.625 5.769 -5.838 1.00 14.20 C ATOM 150 CD ARG A 550 1.119 5.808 -6.058 1.00 4.12 C ATOM 151 NE ARG A 550 0.716 5.027 -7.224 1.00 54.32 N ATOM 152 CZ ARG A 550 -0.545 4.901 -7.622 1.00 62.32 C ATOM 153 NH1 ARG A 550 -1.519 5.499 -6.952 1.00 3.12 N ATOM 154 NH2 ARG A 550 -0.833 4.173 -8.694 1.00 71.12 N ATOM 0 H ARG A 550 4.173 8.794 -3.775 1.00 73.12 H new ATOM 0 HA ARG A 550 4.231 6.042 -3.541 1.00 61.54 H new ATOM 0 HB2 ARG A 550 2.335 7.338 -4.413 1.00 62.13 H new ATOM 0 HB3 ARG A 550 3.265 7.810 -5.822 1.00 62.13 H new ATOM 0 HG2 ARG A 550 3.132 5.693 -6.800 1.00 14.20 H new ATOM 0 HG3 ARG A 550 2.888 4.878 -5.268 1.00 14.20 H new ATOM 0 HD2 ARG A 550 0.613 5.424 -5.172 1.00 4.12 H new ATOM 0 HD3 ARG A 550 0.798 6.842 -6.186 1.00 4.12 H new ATOM 0 HE ARG A 550 1.442 4.553 -7.762 1.00 54.32 H new ATOM 0 HH11 ARG A 550 -1.302 6.059 -6.127 1.00 3.12 H new ATOM 0 HH12 ARG A 550 -2.486 5.400 -7.261 1.00 3.12 H new ATOM 0 HH21 ARG A 550 -0.086 3.710 -9.212 1.00 71.12 H new ATOM 0 HH22 ARG A 550 -1.801 4.076 -9.000 1.00 71.12 H new ATOM 168 N ALA A 551 6.168 7.167 -5.946 1.00 13.32 N ATOM 169 CA ALA A 551 7.230 6.794 -6.872 1.00 1.41 C ATOM 170 C ALA A 551 8.260 5.897 -6.192 1.00 51.14 C ATOM 171 O ALA A 551 8.476 4.759 -6.608 1.00 2.40 O ATOM 172 CB ALA A 551 7.901 8.038 -7.435 1.00 53.11 C ATOM 0 H ALA A 551 5.998 8.171 -5.882 1.00 13.32 H new ATOM 0 HA ALA A 551 6.783 6.233 -7.693 1.00 1.41 H new ATOM 0 HB1 ALA A 551 8.692 7.744 -8.125 1.00 53.11 H new ATOM 0 HB2 ALA A 551 7.163 8.641 -7.964 1.00 53.11 H new ATOM 0 HB3 ALA A 551 8.329 8.621 -6.620 1.00 53.11 H new ATOM 178 N GLY A 552 8.894 6.418 -5.146 1.00 72.40 N ATOM 179 CA GLY A 552 9.894 5.651 -4.428 1.00 14.14 C ATOM 180 C GLY A 552 9.286 4.528 -3.609 1.00 41.33 C ATOM 181 O GLY A 552 9.759 3.393 -3.652 1.00 3.11 O ATOM 0 H GLY A 552 8.733 7.358 -4.783 1.00 72.40 H new ATOM 0 HA2 GLY A 552 10.607 5.233 -5.139 1.00 14.14 H new ATOM 0 HA3 GLY A 552 10.453 6.315 -3.769 1.00 14.14 H new ATOM 185 N VAL A 553 8.234 4.845 -2.862 1.00 0.24 N ATOM 186 CA VAL A 553 7.561 3.855 -2.030 1.00 11.43 C ATOM 187 C VAL A 553 7.194 2.616 -2.838 1.00 41.04 C ATOM 188 O VAL A 553 7.594 1.501 -2.502 1.00 4.22 O ATOM 189 CB VAL A 553 6.285 4.434 -1.390 1.00 12.42 C ATOM 190 CG1 VAL A 553 5.540 3.357 -0.616 1.00 13.50 C ATOM 191 CG2 VAL A 553 6.628 5.610 -0.487 1.00 73.44 C ATOM 0 H VAL A 553 7.829 5.780 -2.816 1.00 0.24 H new ATOM 0 HA VAL A 553 8.260 3.577 -1.241 1.00 11.43 H new ATOM 0 HB VAL A 553 5.632 4.794 -2.185 1.00 12.42 H new ATOM 0 HG11 VAL A 553 4.642 3.784 -0.171 1.00 13.50 H new ATOM 0 HG12 VAL A 553 5.261 2.550 -1.293 1.00 13.50 H new ATOM 0 HG13 VAL A 553 6.183 2.964 0.171 1.00 13.50 H new ATOM 0 HG21 VAL A 553 5.715 6.007 -0.043 1.00 73.44 H new ATOM 0 HG22 VAL A 553 7.301 5.278 0.304 1.00 73.44 H new ATOM 0 HG23 VAL A 553 7.114 6.389 -1.074 1.00 73.44 H new ATOM 201 N TYR A 554 6.430 2.819 -3.906 1.00 65.13 N ATOM 202 CA TYR A 554 6.007 1.717 -4.763 1.00 52.10 C ATOM 203 C TYR A 554 7.200 0.864 -5.183 1.00 2.42 C ATOM 204 O TYR A 554 7.131 -0.366 -5.181 1.00 42.34 O ATOM 205 CB TYR A 554 5.289 2.254 -6.002 1.00 11.44 C ATOM 206 CG TYR A 554 4.865 1.174 -6.972 1.00 43.35 C ATOM 207 CD1 TYR A 554 3.712 0.431 -6.755 1.00 21.02 C ATOM 208 CD2 TYR A 554 5.619 0.898 -8.107 1.00 2.23 C ATOM 209 CE1 TYR A 554 3.322 -0.557 -7.639 1.00 20.33 C ATOM 210 CE2 TYR A 554 5.236 -0.086 -8.996 1.00 62.41 C ATOM 211 CZ TYR A 554 4.087 -0.812 -8.757 1.00 73.22 C ATOM 212 OH TYR A 554 3.702 -1.795 -9.641 1.00 12.14 O ATOM 0 H TYR A 554 6.091 3.735 -4.199 1.00 65.13 H new ATOM 0 HA TYR A 554 5.319 1.092 -4.194 1.00 52.10 H new ATOM 0 HB2 TYR A 554 4.408 2.814 -5.687 1.00 11.44 H new ATOM 0 HB3 TYR A 554 5.946 2.955 -6.517 1.00 11.44 H new ATOM 0 HD1 TYR A 554 3.110 0.629 -5.880 1.00 21.02 H new ATOM 0 HD2 TYR A 554 6.520 1.463 -8.296 1.00 2.23 H new ATOM 0 HE1 TYR A 554 2.423 -1.126 -7.455 1.00 20.33 H new ATOM 0 HE2 TYR A 554 5.832 -0.287 -9.874 1.00 62.41 H new ATOM 0 HH TYR A 554 4.349 -1.846 -10.375 1.00 12.14 H new ATOM 222 N THR A 555 8.296 1.527 -5.542 1.00 73.13 N ATOM 223 CA THR A 555 9.504 0.832 -5.966 1.00 24.45 C ATOM 224 C THR A 555 9.924 -0.217 -4.940 1.00 53.40 C ATOM 225 O THR A 555 10.332 -1.322 -5.299 1.00 1.03 O ATOM 226 CB THR A 555 10.670 1.815 -6.183 1.00 22.30 C ATOM 227 OG1 THR A 555 10.247 2.900 -7.014 1.00 54.23 O ATOM 228 CG2 THR A 555 11.858 1.112 -6.824 1.00 52.10 C ATOM 0 H THR A 555 8.371 2.544 -5.547 1.00 73.13 H new ATOM 0 HA THR A 555 9.271 0.341 -6.911 1.00 24.45 H new ATOM 0 HB THR A 555 10.977 2.201 -5.211 1.00 22.30 H new ATOM 0 HG1 THR A 555 9.784 3.569 -6.468 1.00 54.23 H new ATOM 0 HG21 THR A 555 12.669 1.826 -6.968 1.00 52.10 H new ATOM 0 HG22 THR A 555 12.196 0.304 -6.175 1.00 52.10 H new ATOM 0 HG23 THR A 555 11.561 0.702 -7.789 1.00 52.10 H new ATOM 236 N LYS A 556 9.818 0.136 -3.664 1.00 25.03 N ATOM 237 CA LYS A 556 10.185 -0.775 -2.585 1.00 53.14 C ATOM 238 C LYS A 556 9.096 -1.820 -2.362 1.00 54.44 C ATOM 239 O LYS A 556 9.382 -2.960 -1.995 1.00 22.13 O ATOM 240 CB LYS A 556 10.429 0.006 -1.292 1.00 24.14 C ATOM 241 CG LYS A 556 11.896 0.302 -1.028 1.00 12.10 C ATOM 242 CD LYS A 556 12.340 1.578 -1.723 1.00 43.23 C ATOM 243 CE LYS A 556 13.719 2.016 -1.254 1.00 62.32 C ATOM 244 NZ LYS A 556 13.941 3.473 -1.470 1.00 1.23 N ATOM 0 H LYS A 556 9.481 1.046 -3.351 1.00 25.03 H new ATOM 0 HA LYS A 556 11.103 -1.288 -2.872 1.00 53.14 H new ATOM 0 HB2 LYS A 556 9.879 0.946 -1.336 1.00 24.14 H new ATOM 0 HB3 LYS A 556 10.025 -0.561 -0.453 1.00 24.14 H new ATOM 0 HG2 LYS A 556 12.062 0.394 0.045 1.00 12.10 H new ATOM 0 HG3 LYS A 556 12.505 -0.533 -1.374 1.00 12.10 H new ATOM 0 HD2 LYS A 556 12.354 1.420 -2.801 1.00 43.23 H new ATOM 0 HD3 LYS A 556 11.618 2.371 -1.526 1.00 43.23 H new ATOM 0 HE2 LYS A 556 13.833 1.784 -0.195 1.00 62.32 H new ATOM 0 HE3 LYS A 556 14.481 1.449 -1.788 1.00 62.32 H new ATOM 0 HZ1 LYS A 556 14.892 3.732 -1.138 1.00 1.23 H new ATOM 0 HZ2 LYS A 556 13.857 3.690 -2.484 1.00 1.23 H new ATOM 0 HZ3 LYS A 556 13.229 4.015 -0.940 1.00 1.23 H new ATOM 258 N LEU A 557 7.848 -1.425 -2.590 1.00 1.33 N ATOM 259 CA LEU A 557 6.716 -2.328 -2.416 1.00 12.12 C ATOM 260 C LEU A 557 6.885 -3.583 -3.266 1.00 23.24 C ATOM 261 O LEU A 557 6.438 -4.666 -2.887 1.00 32.23 O ATOM 262 CB LEU A 557 5.412 -1.621 -2.786 1.00 11.44 C ATOM 263 CG LEU A 557 4.654 -0.962 -1.632 1.00 24.10 C ATOM 264 CD1 LEU A 557 4.339 -1.983 -0.550 1.00 12.34 C ATOM 265 CD2 LEU A 557 5.458 0.196 -1.057 1.00 62.54 C ATOM 0 H LEU A 557 7.595 -0.485 -2.896 1.00 1.33 H new ATOM 0 HA LEU A 557 6.677 -2.623 -1.367 1.00 12.12 H new ATOM 0 HB2 LEU A 557 5.635 -0.857 -3.531 1.00 11.44 H new ATOM 0 HB3 LEU A 557 4.751 -2.346 -3.261 1.00 11.44 H new ATOM 0 HG LEU A 557 3.714 -0.569 -2.018 1.00 24.10 H new ATOM 0 HD11 LEU A 557 3.800 -1.497 0.263 1.00 12.34 H new ATOM 0 HD12 LEU A 557 3.723 -2.779 -0.969 1.00 12.34 H new ATOM 0 HD13 LEU A 557 5.268 -2.406 -0.167 1.00 12.34 H new ATOM 0 HD21 LEU A 557 4.903 0.653 -0.237 1.00 62.54 H new ATOM 0 HD22 LEU A 557 6.414 -0.173 -0.687 1.00 62.54 H new ATOM 0 HD23 LEU A 557 5.633 0.939 -1.835 1.00 62.54 H new ATOM 277 N CYS A 558 7.536 -3.431 -4.413 1.00 43.20 N ATOM 278 CA CYS A 558 7.766 -4.553 -5.317 1.00 12.22 C ATOM 279 C CYS A 558 8.682 -5.589 -4.674 1.00 3.25 C ATOM 280 O CYS A 558 8.779 -6.723 -5.142 1.00 44.11 O ATOM 281 CB CYS A 558 8.375 -4.060 -6.630 1.00 33.11 C ATOM 282 SG CYS A 558 7.349 -2.863 -7.516 1.00 22.21 S ATOM 0 H CYS A 558 7.914 -2.542 -4.740 1.00 43.20 H new ATOM 0 HA CYS A 558 6.805 -5.024 -5.525 1.00 12.22 H new ATOM 0 HB2 CYS A 558 9.344 -3.607 -6.421 1.00 33.11 H new ATOM 0 HB3 CYS A 558 8.557 -4.917 -7.278 1.00 33.11 H new ATOM 0 HG CYS A 558 7.157 -1.818 -6.767 1.00 22.21 H new ATOM 288 N GLY A 559 9.355 -5.191 -3.598 1.00 50.10 N ATOM 289 CA GLY A 559 10.257 -6.096 -2.909 1.00 74.24 C ATOM 290 C GLY A 559 9.734 -6.513 -1.549 1.00 41.51 C ATOM 291 O GLY A 559 10.377 -7.285 -0.839 1.00 55.22 O ATOM 0 H GLY A 559 9.292 -4.258 -3.191 1.00 50.10 H new ATOM 0 HA2 GLY A 559 10.414 -6.984 -3.522 1.00 74.24 H new ATOM 0 HA3 GLY A 559 11.228 -5.615 -2.789 1.00 74.24 H new ATOM 295 N VAL A 560 8.564 -5.998 -1.184 1.00 35.00 N ATOM 296 CA VAL A 560 7.954 -6.320 0.100 1.00 31.34 C ATOM 297 C VAL A 560 6.620 -7.034 -0.088 1.00 22.35 C ATOM 298 O VAL A 560 6.186 -7.798 0.775 1.00 0.50 O ATOM 299 CB VAL A 560 7.730 -5.053 0.949 1.00 65.50 C ATOM 300 CG1 VAL A 560 7.303 -5.426 2.361 1.00 71.14 C ATOM 301 CG2 VAL A 560 8.989 -4.199 0.972 1.00 62.44 C ATOM 0 H VAL A 560 8.020 -5.356 -1.760 1.00 35.00 H new ATOM 0 HA VAL A 560 8.646 -6.981 0.622 1.00 31.34 H new ATOM 0 HB VAL A 560 6.930 -4.468 0.495 1.00 65.50 H new ATOM 0 HG11 VAL A 560 7.149 -4.519 2.946 1.00 71.14 H new ATOM 0 HG12 VAL A 560 6.374 -5.994 2.322 1.00 71.14 H new ATOM 0 HG13 VAL A 560 8.080 -6.032 2.828 1.00 71.14 H new ATOM 0 HG21 VAL A 560 8.814 -3.309 1.576 1.00 62.44 H new ATOM 0 HG22 VAL A 560 9.810 -4.773 1.402 1.00 62.44 H new ATOM 0 HG23 VAL A 560 9.246 -3.903 -0.045 1.00 62.44 H new ATOM 311 N PHE A 561 5.975 -6.781 -1.222 1.00 32.51 N ATOM 312 CA PHE A 561 4.689 -7.400 -1.524 1.00 24.21 C ATOM 313 C PHE A 561 4.428 -7.405 -3.027 1.00 60.32 C ATOM 314 O PHE A 561 5.023 -6.642 -3.789 1.00 20.50 O ATOM 315 CB PHE A 561 3.562 -6.661 -0.801 1.00 52.11 C ATOM 316 CG PHE A 561 3.408 -7.061 0.639 1.00 53.24 C ATOM 317 CD1 PHE A 561 2.790 -8.254 0.977 1.00 3.31 C ATOM 318 CD2 PHE A 561 3.880 -6.244 1.652 1.00 24.34 C ATOM 319 CE1 PHE A 561 2.646 -8.624 2.301 1.00 42.15 C ATOM 320 CE2 PHE A 561 3.740 -6.610 2.978 1.00 13.20 C ATOM 321 CZ PHE A 561 3.123 -7.802 3.302 1.00 2.25 C ATOM 0 H PHE A 561 6.321 -6.152 -1.947 1.00 32.51 H new ATOM 0 HA PHE A 561 4.719 -8.432 -1.175 1.00 24.21 H new ATOM 0 HB2 PHE A 561 3.750 -5.589 -0.854 1.00 52.11 H new ATOM 0 HB3 PHE A 561 2.623 -6.846 -1.323 1.00 52.11 H new ATOM 0 HD1 PHE A 561 2.417 -8.902 0.198 1.00 3.31 H new ATOM 0 HD2 PHE A 561 4.363 -5.310 1.404 1.00 24.34 H new ATOM 0 HE1 PHE A 561 2.161 -9.556 2.552 1.00 42.15 H new ATOM 0 HE2 PHE A 561 4.113 -5.964 3.759 1.00 13.20 H new ATOM 0 HZ PHE A 561 3.014 -8.091 4.337 1.00 2.25 H new ATOM 331 N PRO A 562 3.518 -8.287 -3.466 1.00 1.13 N ATOM 332 CA PRO A 562 3.156 -8.415 -4.880 1.00 41.21 C ATOM 333 C PRO A 562 2.377 -7.207 -5.391 1.00 4.11 C ATOM 334 O PRO A 562 1.939 -6.350 -4.622 1.00 23.42 O ATOM 335 CB PRO A 562 2.280 -9.669 -4.911 1.00 51.23 C ATOM 336 CG PRO A 562 1.714 -9.770 -3.536 1.00 55.35 C ATOM 337 CD PRO A 562 2.770 -9.227 -2.613 1.00 74.02 C ATOM 0 HA PRO A 562 4.035 -8.478 -5.521 1.00 41.21 H new ATOM 0 HB2 PRO A 562 1.491 -9.583 -5.658 1.00 51.23 H new ATOM 0 HB3 PRO A 562 2.864 -10.554 -5.165 1.00 51.23 H new ATOM 0 HG2 PRO A 562 0.790 -9.198 -3.451 1.00 55.35 H new ATOM 0 HG3 PRO A 562 1.473 -10.804 -3.288 1.00 55.35 H new ATOM 0 HD2 PRO A 562 2.331 -8.725 -1.751 1.00 74.02 H new ATOM 0 HD3 PRO A 562 3.413 -10.019 -2.228 1.00 74.02 H new ATOM 345 N PRO A 563 2.199 -7.135 -6.718 1.00 75.41 N ATOM 346 CA PRO A 563 1.470 -6.037 -7.360 1.00 53.02 C ATOM 347 C PRO A 563 -0.025 -6.080 -7.063 1.00 20.22 C ATOM 348 O PRO A 563 -0.630 -5.064 -6.722 1.00 50.13 O ATOM 349 CB PRO A 563 1.726 -6.266 -8.852 1.00 75.22 C ATOM 350 CG PRO A 563 2.000 -7.726 -8.969 1.00 61.30 C ATOM 351 CD PRO A 563 2.693 -8.120 -7.694 1.00 64.43 C ATOM 0 HA PRO A 563 1.802 -5.063 -7.001 1.00 53.02 H new ATOM 0 HB2 PRO A 563 0.863 -5.976 -9.451 1.00 75.22 H new ATOM 0 HB3 PRO A 563 2.571 -5.675 -9.204 1.00 75.22 H new ATOM 0 HG2 PRO A 563 1.075 -8.287 -9.100 1.00 61.30 H new ATOM 0 HG3 PRO A 563 2.627 -7.937 -9.835 1.00 61.30 H new ATOM 0 HD2 PRO A 563 2.442 -9.139 -7.399 1.00 64.43 H new ATOM 0 HD3 PRO A 563 3.777 -8.076 -7.796 1.00 64.43 H new ATOM 359 N HIS A 564 -0.615 -7.264 -7.192 1.00 52.22 N ATOM 360 CA HIS A 564 -2.041 -7.440 -6.937 1.00 3.45 C ATOM 361 C HIS A 564 -2.408 -6.937 -5.544 1.00 3.50 C ATOM 362 O HIS A 564 -3.552 -6.554 -5.293 1.00 22.25 O ATOM 363 CB HIS A 564 -2.428 -8.912 -7.078 1.00 0.24 C ATOM 364 CG HIS A 564 -2.274 -9.696 -5.811 1.00 23.42 C ATOM 365 ND1 HIS A 564 -1.092 -10.305 -5.441 1.00 54.44 N ATOM 366 CD2 HIS A 564 -3.160 -9.969 -4.824 1.00 41.22 C ATOM 367 CE1 HIS A 564 -1.259 -10.919 -4.284 1.00 30.04 C ATOM 368 NE2 HIS A 564 -2.505 -10.730 -3.888 1.00 13.34 N ATOM 0 H HIS A 564 -0.128 -8.116 -7.471 1.00 52.22 H new ATOM 0 HA HIS A 564 -2.592 -6.855 -7.674 1.00 3.45 H new ATOM 0 HB2 HIS A 564 -3.464 -8.976 -7.412 1.00 0.24 H new ATOM 0 HB3 HIS A 564 -1.814 -9.368 -7.855 1.00 0.24 H new ATOM 0 HD2 HIS A 564 -4.190 -9.648 -4.781 1.00 41.22 H new ATOM 0 HE1 HIS A 564 -0.505 -11.480 -3.752 1.00 30.04 H new ATOM 0 HE2 HIS A 564 -2.914 -11.091 -3.026 1.00 13.34 H new ATOM 377 N LEU A 565 -1.433 -6.940 -4.642 1.00 41.13 N ATOM 378 CA LEU A 565 -1.653 -6.484 -3.274 1.00 31.11 C ATOM 379 C LEU A 565 -1.524 -4.967 -3.178 1.00 24.35 C ATOM 380 O LEU A 565 -2.475 -4.274 -2.816 1.00 71.03 O ATOM 381 CB LEU A 565 -0.657 -7.153 -2.325 1.00 72.30 C ATOM 382 CG LEU A 565 -1.145 -8.422 -1.625 1.00 53.32 C ATOM 383 CD1 LEU A 565 -0.051 -8.997 -0.739 1.00 14.13 C ATOM 384 CD2 LEU A 565 -2.397 -8.132 -0.810 1.00 34.22 C ATOM 0 H LEU A 565 -0.481 -7.253 -4.833 1.00 41.13 H new ATOM 0 HA LEU A 565 -2.666 -6.763 -2.983 1.00 31.11 H new ATOM 0 HB2 LEU A 565 0.244 -7.396 -2.889 1.00 72.30 H new ATOM 0 HB3 LEU A 565 -0.370 -6.429 -1.562 1.00 72.30 H new ATOM 0 HG LEU A 565 -1.394 -9.162 -2.386 1.00 53.32 H new ATOM 0 HD11 LEU A 565 -0.416 -9.900 -0.249 1.00 14.13 H new ATOM 0 HD12 LEU A 565 0.819 -9.242 -1.348 1.00 14.13 H new ATOM 0 HD13 LEU A 565 0.229 -8.262 0.016 1.00 14.13 H new ATOM 0 HD21 LEU A 565 -2.731 -9.046 -0.318 1.00 34.22 H new ATOM 0 HD22 LEU A 565 -2.174 -7.376 -0.057 1.00 34.22 H new ATOM 0 HD23 LEU A 565 -3.184 -7.766 -1.470 1.00 34.22 H new ATOM 396 N VAL A 566 -0.341 -4.457 -3.506 1.00 1.22 N ATOM 397 CA VAL A 566 -0.088 -3.022 -3.460 1.00 22.10 C ATOM 398 C VAL A 566 -1.130 -2.254 -4.267 1.00 24.04 C ATOM 399 O VAL A 566 -1.769 -1.335 -3.757 1.00 22.01 O ATOM 400 CB VAL A 566 1.315 -2.682 -3.998 1.00 21.41 C ATOM 401 CG1 VAL A 566 1.546 -1.179 -3.973 1.00 23.02 C ATOM 402 CG2 VAL A 566 2.383 -3.408 -3.195 1.00 23.02 C ATOM 0 H VAL A 566 0.457 -5.017 -3.806 1.00 1.22 H new ATOM 0 HA VAL A 566 -0.150 -2.723 -2.414 1.00 22.10 H new ATOM 0 HB VAL A 566 1.380 -3.018 -5.033 1.00 21.41 H new ATOM 0 HG11 VAL A 566 2.542 -0.958 -4.356 1.00 23.02 H new ATOM 0 HG12 VAL A 566 0.800 -0.686 -4.596 1.00 23.02 H new ATOM 0 HG13 VAL A 566 1.462 -0.815 -2.949 1.00 23.02 H new ATOM 0 HG21 VAL A 566 3.368 -3.157 -3.588 1.00 23.02 H new ATOM 0 HG22 VAL A 566 2.321 -3.105 -2.150 1.00 23.02 H new ATOM 0 HG23 VAL A 566 2.226 -4.484 -3.270 1.00 23.02 H new ATOM 412 N GLU A 567 -1.294 -2.638 -5.529 1.00 31.21 N ATOM 413 CA GLU A 567 -2.258 -1.985 -6.406 1.00 22.12 C ATOM 414 C GLU A 567 -3.639 -1.941 -5.759 1.00 71.44 C ATOM 415 O GLU A 567 -4.433 -1.039 -6.025 1.00 11.11 O ATOM 416 CB GLU A 567 -2.335 -2.714 -7.749 1.00 41.12 C ATOM 417 CG GLU A 567 -1.105 -2.516 -8.620 1.00 70.34 C ATOM 418 CD GLU A 567 -1.364 -2.843 -10.078 1.00 33.20 C ATOM 419 OE1 GLU A 567 -2.376 -3.518 -10.363 1.00 53.34 O ATOM 420 OE2 GLU A 567 -0.556 -2.426 -10.933 1.00 1.33 O ATOM 0 H GLU A 567 -0.772 -3.397 -5.966 1.00 31.21 H new ATOM 0 HA GLU A 567 -1.922 -0.962 -6.575 1.00 22.12 H new ATOM 0 HB2 GLU A 567 -2.473 -3.780 -7.567 1.00 41.12 H new ATOM 0 HB3 GLU A 567 -3.214 -2.367 -8.292 1.00 41.12 H new ATOM 0 HG2 GLU A 567 -0.769 -1.483 -8.538 1.00 70.34 H new ATOM 0 HG3 GLU A 567 -0.296 -3.145 -8.248 1.00 70.34 H new ATOM 428 N ALA A 568 -3.920 -2.924 -4.909 1.00 45.43 N ATOM 429 CA ALA A 568 -5.204 -2.997 -4.223 1.00 61.32 C ATOM 430 C ALA A 568 -5.217 -2.106 -2.985 1.00 53.13 C ATOM 431 O ALA A 568 -6.043 -1.200 -2.869 1.00 44.30 O ATOM 432 CB ALA A 568 -5.517 -4.436 -3.843 1.00 22.34 C ATOM 0 H ALA A 568 -3.275 -3.680 -4.679 1.00 45.43 H new ATOM 0 HA ALA A 568 -5.974 -2.637 -4.905 1.00 61.32 H new ATOM 0 HB1 ALA A 568 -6.479 -4.476 -3.331 1.00 22.34 H new ATOM 0 HB2 ALA A 568 -5.559 -5.049 -4.743 1.00 22.34 H new ATOM 0 HB3 ALA A 568 -4.738 -4.815 -3.182 1.00 22.34 H new ATOM 438 N VAL A 569 -4.297 -2.369 -2.063 1.00 35.23 N ATOM 439 CA VAL A 569 -4.203 -1.591 -0.833 1.00 70.22 C ATOM 440 C VAL A 569 -4.067 -0.102 -1.134 1.00 62.44 C ATOM 441 O VAL A 569 -4.516 0.742 -0.360 1.00 25.12 O ATOM 442 CB VAL A 569 -3.007 -2.041 0.027 1.00 73.45 C ATOM 443 CG1 VAL A 569 -3.025 -1.340 1.376 1.00 2.21 C ATOM 444 CG2 VAL A 569 -3.018 -3.552 0.202 1.00 33.41 C ATOM 0 H VAL A 569 -3.606 -3.115 -2.144 1.00 35.23 H new ATOM 0 HA VAL A 569 -5.125 -1.764 -0.278 1.00 70.22 H new ATOM 0 HB VAL A 569 -2.087 -1.763 -0.487 1.00 73.45 H new ATOM 0 HG11 VAL A 569 -2.173 -1.671 1.969 1.00 2.21 H new ATOM 0 HG12 VAL A 569 -2.967 -0.262 1.227 1.00 2.21 H new ATOM 0 HG13 VAL A 569 -3.949 -1.584 1.901 1.00 2.21 H new ATOM 0 HG21 VAL A 569 -2.167 -3.854 0.812 1.00 33.41 H new ATOM 0 HG22 VAL A 569 -3.942 -3.855 0.694 1.00 33.41 H new ATOM 0 HG23 VAL A 569 -2.953 -4.032 -0.775 1.00 33.41 H new ATOM 454 N MET A 570 -3.443 0.212 -2.266 1.00 34.34 N ATOM 455 CA MET A 570 -3.249 1.599 -2.671 1.00 22.23 C ATOM 456 C MET A 570 -4.586 2.320 -2.799 1.00 41.42 C ATOM 457 O MET A 570 -4.662 3.540 -2.648 1.00 44.45 O ATOM 458 CB MET A 570 -2.491 1.664 -3.997 1.00 55.13 C ATOM 459 CG MET A 570 -0.979 1.666 -3.836 1.00 75.20 C ATOM 460 SD MET A 570 -0.148 2.659 -5.091 1.00 24.23 S ATOM 461 CE MET A 570 1.430 2.956 -4.296 1.00 71.33 C ATOM 0 H MET A 570 -3.064 -0.475 -2.918 1.00 34.34 H new ATOM 0 HA MET A 570 -2.661 2.098 -1.901 1.00 22.23 H new ATOM 0 HB2 MET A 570 -2.781 0.813 -4.613 1.00 55.13 H new ATOM 0 HB3 MET A 570 -2.792 2.564 -4.534 1.00 55.13 H new ATOM 0 HG2 MET A 570 -0.723 2.048 -2.848 1.00 75.20 H new ATOM 0 HG3 MET A 570 -0.611 0.641 -3.886 1.00 75.20 H new ATOM 0 HE1 MET A 570 2.233 2.831 -5.023 1.00 71.33 H new ATOM 0 HE2 MET A 570 1.453 3.972 -3.901 1.00 71.33 H new ATOM 0 HE3 MET A 570 1.565 2.247 -3.480 1.00 71.33 H new ATOM 471 N ARG A 571 -5.640 1.560 -3.079 1.00 22.43 N ATOM 472 CA ARG A 571 -6.974 2.127 -3.229 1.00 3.54 C ATOM 473 C ARG A 571 -7.597 2.420 -1.867 1.00 51.32 C ATOM 474 O ARG A 571 -8.658 3.038 -1.778 1.00 73.42 O ATOM 475 CB ARG A 571 -7.872 1.173 -4.017 1.00 65.51 C ATOM 476 CG ARG A 571 -9.220 1.769 -4.386 1.00 52.44 C ATOM 477 CD ARG A 571 -10.367 0.928 -3.848 1.00 53.22 C ATOM 478 NE ARG A 571 -11.517 0.931 -4.748 1.00 71.14 N ATOM 479 CZ ARG A 571 -11.585 0.200 -5.856 1.00 63.13 C ATOM 480 NH1 ARG A 571 -10.574 -0.588 -6.198 1.00 14.45 N ATOM 481 NH2 ARG A 571 -12.665 0.257 -6.625 1.00 72.42 N ATOM 0 H ARG A 571 -5.595 0.549 -3.207 1.00 22.43 H new ATOM 0 HA ARG A 571 -6.882 3.065 -3.777 1.00 3.54 H new ATOM 0 HB2 ARG A 571 -7.356 0.872 -4.929 1.00 65.51 H new ATOM 0 HB3 ARG A 571 -8.033 0.270 -3.428 1.00 65.51 H new ATOM 0 HG2 ARG A 571 -9.292 2.782 -3.989 1.00 52.44 H new ATOM 0 HG3 ARG A 571 -9.301 1.845 -5.470 1.00 52.44 H new ATOM 0 HD2 ARG A 571 -10.026 -0.097 -3.699 1.00 53.22 H new ATOM 0 HD3 ARG A 571 -10.669 1.309 -2.872 1.00 53.22 H new ATOM 0 HE ARG A 571 -12.311 1.526 -4.514 1.00 71.14 H new ATOM 0 HH11 ARG A 571 -9.742 -0.634 -5.610 1.00 14.45 H new ATOM 0 HH12 ARG A 571 -10.629 -1.148 -7.049 1.00 14.45 H new ATOM 0 HH21 ARG A 571 -13.444 0.862 -6.366 1.00 72.42 H new ATOM 0 HH22 ARG A 571 -12.716 -0.304 -7.475 1.00 72.42 H new ATOM 495 N ARG A 572 -6.929 1.973 -0.808 1.00 34.41 N ATOM 496 CA ARG A 572 -7.418 2.185 0.549 1.00 55.02 C ATOM 497 C ARG A 572 -6.756 3.407 1.180 1.00 32.12 C ATOM 498 O ARG A 572 -7.412 4.207 1.847 1.00 41.01 O ATOM 499 CB ARG A 572 -7.154 0.947 1.408 1.00 55.22 C ATOM 500 CG ARG A 572 -7.776 1.025 2.794 1.00 43.05 C ATOM 501 CD ARG A 572 -9.142 0.357 2.829 1.00 1.13 C ATOM 502 NE ARG A 572 -10.216 1.292 2.501 1.00 23.31 N ATOM 503 CZ ARG A 572 -11.501 0.959 2.496 1.00 52.10 C ATOM 504 NH1 ARG A 572 -11.872 -0.277 2.799 1.00 12.01 N ATOM 505 NH2 ARG A 572 -12.421 1.865 2.186 1.00 24.01 N ATOM 0 H ARG A 572 -6.048 1.462 -0.864 1.00 34.41 H new ATOM 0 HA ARG A 572 -8.493 2.361 0.499 1.00 55.02 H new ATOM 0 HB2 ARG A 572 -7.542 0.068 0.893 1.00 55.22 H new ATOM 0 HB3 ARG A 572 -6.078 0.808 1.509 1.00 55.22 H new ATOM 0 HG2 ARG A 572 -7.117 0.546 3.518 1.00 43.05 H new ATOM 0 HG3 ARG A 572 -7.872 2.069 3.093 1.00 43.05 H new ATOM 0 HD2 ARG A 572 -9.157 -0.475 2.124 1.00 1.13 H new ATOM 0 HD3 ARG A 572 -9.316 -0.062 3.820 1.00 1.13 H new ATOM 0 HE ARG A 572 -9.965 2.252 2.263 1.00 23.31 H new ATOM 0 HH11 ARG A 572 -11.169 -0.977 3.037 1.00 12.01 H new ATOM 0 HH12 ARG A 572 -12.860 -0.528 2.794 1.00 12.01 H new ATOM 0 HH21 ARG A 572 -12.140 2.817 1.952 1.00 24.01 H new ATOM 0 HH22 ARG A 572 -13.408 1.609 2.182 1.00 24.01 H new ATOM 519 N PHE A 573 -5.451 3.543 0.966 1.00 20.55 N ATOM 520 CA PHE A 573 -4.699 4.665 1.515 1.00 34.40 C ATOM 521 C PHE A 573 -4.120 5.530 0.400 1.00 71.25 C ATOM 522 O PHE A 573 -2.909 5.576 0.180 1.00 70.21 O ATOM 523 CB PHE A 573 -3.574 4.158 2.420 1.00 2.13 C ATOM 524 CG PHE A 573 -4.059 3.625 3.738 1.00 72.13 C ATOM 525 CD1 PHE A 573 -4.701 2.400 3.810 1.00 34.43 C ATOM 526 CD2 PHE A 573 -3.871 4.350 4.904 1.00 74.31 C ATOM 527 CE1 PHE A 573 -5.149 1.907 5.022 1.00 64.33 C ATOM 528 CE2 PHE A 573 -4.316 3.860 6.118 1.00 2.43 C ATOM 529 CZ PHE A 573 -4.956 2.638 6.177 1.00 23.53 C ATOM 0 H PHE A 573 -4.893 2.890 0.416 1.00 20.55 H new ATOM 0 HA PHE A 573 -5.383 5.275 2.105 1.00 34.40 H new ATOM 0 HB2 PHE A 573 -3.026 3.373 1.899 1.00 2.13 H new ATOM 0 HB3 PHE A 573 -2.871 4.971 2.602 1.00 2.13 H new ATOM 0 HD1 PHE A 573 -4.853 1.823 2.910 1.00 34.43 H new ATOM 0 HD2 PHE A 573 -3.372 5.307 4.864 1.00 74.31 H new ATOM 0 HE1 PHE A 573 -5.649 0.951 5.065 1.00 64.33 H new ATOM 0 HE2 PHE A 573 -4.163 4.433 7.020 1.00 2.43 H new ATOM 0 HZ PHE A 573 -5.305 2.255 7.125 1.00 23.53 H new ATOM 539 N PRO A 574 -5.005 6.231 -0.324 1.00 0.43 N ATOM 540 CA PRO A 574 -4.606 7.108 -1.430 1.00 63.01 C ATOM 541 C PRO A 574 -3.867 8.351 -0.947 1.00 25.11 C ATOM 542 O PRO A 574 -3.328 9.114 -1.748 1.00 25.21 O ATOM 543 CB PRO A 574 -5.938 7.495 -2.074 1.00 52.51 C ATOM 544 CG PRO A 574 -6.942 7.359 -0.982 1.00 3.31 C ATOM 545 CD PRO A 574 -6.463 6.225 -0.118 1.00 62.12 C ATOM 0 HA PRO A 574 -3.915 6.614 -2.112 1.00 63.01 H new ATOM 0 HB2 PRO A 574 -5.909 8.514 -2.460 1.00 52.51 H new ATOM 0 HB3 PRO A 574 -6.176 6.842 -2.914 1.00 52.51 H new ATOM 0 HG2 PRO A 574 -7.020 8.282 -0.407 1.00 3.31 H new ATOM 0 HG3 PRO A 574 -7.932 7.150 -1.386 1.00 3.31 H new ATOM 0 HD2 PRO A 574 -6.721 6.381 0.929 1.00 62.12 H new ATOM 0 HD3 PRO A 574 -6.907 5.276 -0.418 1.00 62.12 H new ATOM 553 N GLN A 575 -3.844 8.547 0.368 1.00 52.13 N ATOM 554 CA GLN A 575 -3.171 9.698 0.957 1.00 3.51 C ATOM 555 C GLN A 575 -1.930 9.266 1.731 1.00 50.31 C ATOM 556 O GLN A 575 -1.086 10.092 2.081 1.00 25.52 O ATOM 557 CB GLN A 575 -4.125 10.456 1.882 1.00 73.54 C ATOM 558 CG GLN A 575 -4.388 9.744 3.199 1.00 12.22 C ATOM 559 CD GLN A 575 -5.662 10.215 3.872 1.00 1.34 C ATOM 560 OE1 GLN A 575 -5.637 11.108 4.720 1.00 20.35 O ATOM 561 NE2 GLN A 575 -6.787 9.617 3.497 1.00 23.14 N ATOM 0 H GLN A 575 -4.284 7.923 1.045 1.00 52.13 H new ATOM 0 HA GLN A 575 -2.860 10.358 0.147 1.00 3.51 H new ATOM 0 HB2 GLN A 575 -3.710 11.443 2.088 1.00 73.54 H new ATOM 0 HB3 GLN A 575 -5.073 10.610 1.366 1.00 73.54 H new ATOM 0 HG2 GLN A 575 -4.451 8.670 3.021 1.00 12.22 H new ATOM 0 HG3 GLN A 575 -3.545 9.907 3.871 1.00 12.22 H new ATOM 0 HE21 GLN A 575 -6.763 8.881 2.791 1.00 23.14 H new ATOM 0 HE22 GLN A 575 -7.675 9.893 3.915 1.00 23.14 H new ATOM 570 N LEU A 576 -1.826 7.968 1.995 1.00 63.01 N ATOM 571 CA LEU A 576 -0.687 7.425 2.728 1.00 15.30 C ATOM 572 C LEU A 576 -0.069 6.249 1.979 1.00 5.33 C ATOM 573 O LEU A 576 -0.627 5.152 1.954 1.00 3.54 O ATOM 574 CB LEU A 576 -1.121 6.983 4.127 1.00 51.23 C ATOM 575 CG LEU A 576 -0.541 7.783 5.294 1.00 42.32 C ATOM 576 CD1 LEU A 576 -0.981 7.187 6.621 1.00 13.35 C ATOM 577 CD2 LEU A 576 0.978 7.829 5.205 1.00 10.41 C ATOM 0 H LEU A 576 -2.516 7.272 1.713 1.00 63.01 H new ATOM 0 HA LEU A 576 0.064 8.209 2.818 1.00 15.30 H new ATOM 0 HB2 LEU A 576 -2.208 7.035 4.182 1.00 51.23 H new ATOM 0 HB3 LEU A 576 -0.845 5.937 4.257 1.00 51.23 H new ATOM 0 HG LEU A 576 -0.920 8.803 5.235 1.00 42.32 H new ATOM 0 HD11 LEU A 576 -0.558 7.770 7.440 1.00 13.35 H new ATOM 0 HD12 LEU A 576 -2.069 7.206 6.686 1.00 13.35 H new ATOM 0 HD13 LEU A 576 -0.632 6.157 6.691 1.00 13.35 H new ATOM 0 HD21 LEU A 576 1.374 8.402 6.043 1.00 10.41 H new ATOM 0 HD22 LEU A 576 1.375 6.815 5.239 1.00 10.41 H new ATOM 0 HD23 LEU A 576 1.273 8.303 4.269 1.00 10.41 H new ATOM 589 N LEU A 577 1.089 6.485 1.372 1.00 3.45 N ATOM 590 CA LEU A 577 1.787 5.445 0.625 1.00 42.22 C ATOM 591 C LEU A 577 3.157 5.163 1.232 1.00 31.53 C ATOM 592 O LEU A 577 4.129 5.866 0.954 1.00 54.15 O ATOM 593 CB LEU A 577 1.943 5.859 -0.840 1.00 35.31 C ATOM 594 CG LEU A 577 0.690 5.735 -1.709 1.00 70.32 C ATOM 595 CD1 LEU A 577 0.126 4.325 -1.633 1.00 52.14 C ATOM 596 CD2 LEU A 577 -0.357 6.754 -1.284 1.00 1.21 C ATOM 0 H LEU A 577 1.564 7.387 1.383 1.00 3.45 H new ATOM 0 HA LEU A 577 1.192 4.534 0.679 1.00 42.22 H new ATOM 0 HB2 LEU A 577 2.281 6.895 -0.870 1.00 35.31 H new ATOM 0 HB3 LEU A 577 2.732 5.253 -1.286 1.00 35.31 H new ATOM 0 HG LEU A 577 0.967 5.939 -2.743 1.00 70.32 H new ATOM 0 HD11 LEU A 577 -0.765 4.255 -2.257 1.00 52.14 H new ATOM 0 HD12 LEU A 577 0.873 3.615 -1.987 1.00 52.14 H new ATOM 0 HD13 LEU A 577 -0.135 4.093 -0.601 1.00 52.14 H new ATOM 0 HD21 LEU A 577 -1.241 6.651 -1.913 1.00 1.21 H new ATOM 0 HD22 LEU A 577 -0.630 6.582 -0.243 1.00 1.21 H new ATOM 0 HD23 LEU A 577 0.049 7.760 -1.391 1.00 1.21 H new ATOM 608 N ASP A 578 3.228 4.129 2.064 1.00 41.43 N ATOM 609 CA ASP A 578 4.480 3.751 2.709 1.00 71.23 C ATOM 610 C ASP A 578 4.770 2.268 2.505 1.00 21.22 C ATOM 611 O ASP A 578 3.866 1.452 2.326 1.00 54.10 O ATOM 612 CB ASP A 578 4.425 4.073 4.204 1.00 42.15 C ATOM 613 CG ASP A 578 5.451 5.113 4.609 1.00 23.35 C ATOM 614 OD1 ASP A 578 5.350 6.263 4.136 1.00 15.41 O ATOM 615 OD2 ASP A 578 6.356 4.774 5.401 1.00 4.33 O ATOM 0 H ASP A 578 2.433 3.538 2.307 1.00 41.43 H new ATOM 0 HA ASP A 578 5.285 4.326 2.251 1.00 71.23 H new ATOM 0 HB2 ASP A 578 3.428 4.432 4.459 1.00 42.15 H new ATOM 0 HB3 ASP A 578 4.592 3.160 4.776 1.00 42.15 H new ATOM 621 N PRO A 579 6.062 1.908 2.533 1.00 64.42 N ATOM 622 CA PRO A 579 6.502 0.521 2.353 1.00 33.24 C ATOM 623 C PRO A 579 6.128 -0.364 3.538 1.00 12.32 C ATOM 624 O PRO A 579 5.675 -1.495 3.360 1.00 15.53 O ATOM 625 CB PRO A 579 8.023 0.643 2.236 1.00 74.03 C ATOM 626 CG PRO A 579 8.359 1.902 2.959 1.00 73.45 C ATOM 627 CD PRO A 579 7.193 2.827 2.743 1.00 65.14 C ATOM 0 HA PRO A 579 6.031 0.053 1.489 1.00 33.24 H new ATOM 0 HB2 PRO A 579 8.524 -0.216 2.682 1.00 74.03 H new ATOM 0 HB3 PRO A 579 8.337 0.689 1.193 1.00 74.03 H new ATOM 0 HG2 PRO A 579 8.515 1.712 4.021 1.00 73.45 H new ATOM 0 HG3 PRO A 579 9.280 2.339 2.574 1.00 73.45 H new ATOM 0 HD2 PRO A 579 7.029 3.475 3.604 1.00 65.14 H new ATOM 0 HD3 PRO A 579 7.349 3.476 1.881 1.00 65.14 H new ATOM 635 N GLN A 580 6.322 0.158 4.745 1.00 71.23 N ATOM 636 CA GLN A 580 6.005 -0.586 5.958 1.00 2.31 C ATOM 637 C GLN A 580 4.512 -0.521 6.263 1.00 5.22 C ATOM 638 O GLN A 580 3.898 -1.527 6.616 1.00 10.51 O ATOM 639 CB GLN A 580 6.804 -0.037 7.141 1.00 2.33 C ATOM 640 CG GLN A 580 8.263 -0.465 7.143 1.00 72.14 C ATOM 641 CD GLN A 580 9.203 0.661 7.522 1.00 52.30 C ATOM 642 OE1 GLN A 580 10.015 0.526 8.438 1.00 41.24 O ATOM 643 NE2 GLN A 580 9.096 1.783 6.819 1.00 3.12 N ATOM 0 H GLN A 580 6.697 1.092 4.909 1.00 71.23 H new ATOM 0 HA GLN A 580 6.278 -1.629 5.796 1.00 2.31 H new ATOM 0 HB2 GLN A 580 6.754 1.052 7.128 1.00 2.33 H new ATOM 0 HB3 GLN A 580 6.336 -0.367 8.069 1.00 2.33 H new ATOM 0 HG2 GLN A 580 8.394 -1.292 7.841 1.00 72.14 H new ATOM 0 HG3 GLN A 580 8.529 -0.838 6.154 1.00 72.14 H new ATOM 0 HE21 GLN A 580 8.409 1.851 6.068 1.00 3.12 H new ATOM 0 HE22 GLN A 580 9.701 2.577 7.030 1.00 3.12 H new ATOM 652 N GLN A 581 3.937 0.669 6.124 1.00 73.04 N ATOM 653 CA GLN A 581 2.516 0.865 6.386 1.00 61.03 C ATOM 654 C GLN A 581 1.676 -0.154 5.622 1.00 64.22 C ATOM 655 O GLN A 581 0.876 -0.882 6.212 1.00 64.10 O ATOM 656 CB GLN A 581 2.095 2.283 5.998 1.00 11.22 C ATOM 657 CG GLN A 581 2.524 3.341 7.002 1.00 1.30 C ATOM 658 CD GLN A 581 2.154 4.745 6.565 1.00 55.12 C ATOM 659 OE1 GLN A 581 1.070 4.975 6.029 1.00 72.23 O ATOM 660 NE2 GLN A 581 3.055 5.693 6.793 1.00 53.14 N ATOM 0 H GLN A 581 4.433 1.511 5.832 1.00 73.04 H new ATOM 0 HA GLN A 581 2.346 0.722 7.453 1.00 61.03 H new ATOM 0 HB2 GLN A 581 2.519 2.525 5.024 1.00 11.22 H new ATOM 0 HB3 GLN A 581 1.011 2.315 5.890 1.00 11.22 H new ATOM 0 HG2 GLN A 581 2.061 3.131 7.966 1.00 1.30 H new ATOM 0 HG3 GLN A 581 3.603 3.282 7.147 1.00 1.30 H new ATOM 0 HE21 GLN A 581 3.941 5.458 7.240 1.00 53.14 H new ATOM 0 HE22 GLN A 581 2.861 6.657 6.521 1.00 53.14 H new ATOM 669 N LEU A 582 1.863 -0.200 4.307 1.00 32.51 N ATOM 670 CA LEU A 582 1.122 -1.130 3.462 1.00 62.23 C ATOM 671 C LEU A 582 1.221 -2.554 4.002 1.00 11.11 C ATOM 672 O LEU A 582 0.306 -3.358 3.830 1.00 53.24 O ATOM 673 CB LEU A 582 1.651 -1.079 2.027 1.00 3.14 C ATOM 674 CG LEU A 582 1.135 0.072 1.163 1.00 51.11 C ATOM 675 CD1 LEU A 582 2.194 0.504 0.162 1.00 54.35 C ATOM 676 CD2 LEU A 582 -0.146 -0.331 0.448 1.00 52.02 C ATOM 0 H LEU A 582 2.521 0.395 3.804 1.00 32.51 H new ATOM 0 HA LEU A 582 0.074 -0.831 3.467 1.00 62.23 H new ATOM 0 HB2 LEU A 582 2.739 -1.020 2.064 1.00 3.14 H new ATOM 0 HB3 LEU A 582 1.399 -2.018 1.534 1.00 3.14 H new ATOM 0 HG LEU A 582 0.913 0.918 1.813 1.00 51.11 H new ATOM 0 HD11 LEU A 582 1.809 1.324 -0.444 1.00 54.35 H new ATOM 0 HD12 LEU A 582 3.085 0.834 0.695 1.00 54.35 H new ATOM 0 HD13 LEU A 582 2.448 -0.336 -0.484 1.00 54.35 H new ATOM 0 HD21 LEU A 582 -0.499 0.500 -0.162 1.00 52.02 H new ATOM 0 HD22 LEU A 582 0.049 -1.193 -0.190 1.00 52.02 H new ATOM 0 HD23 LEU A 582 -0.907 -0.590 1.184 1.00 52.02 H new ATOM 688 N ALA A 583 2.337 -2.856 4.657 1.00 32.12 N ATOM 689 CA ALA A 583 2.553 -4.181 5.225 1.00 72.20 C ATOM 690 C ALA A 583 1.543 -4.476 6.329 1.00 74.32 C ATOM 691 O ALA A 583 1.071 -5.605 6.465 1.00 52.12 O ATOM 692 CB ALA A 583 3.973 -4.300 5.760 1.00 13.23 C ATOM 0 H ALA A 583 3.105 -2.202 4.807 1.00 32.12 H new ATOM 0 HA ALA A 583 2.412 -4.917 4.433 1.00 72.20 H new ATOM 0 HB1 ALA A 583 4.121 -5.294 6.181 1.00 13.23 H new ATOM 0 HB2 ALA A 583 4.682 -4.141 4.948 1.00 13.23 H new ATOM 0 HB3 ALA A 583 4.134 -3.550 6.534 1.00 13.23 H new ATOM 698 N ALA A 584 1.218 -3.456 7.115 1.00 35.01 N ATOM 699 CA ALA A 584 0.262 -3.607 8.206 1.00 12.33 C ATOM 700 C ALA A 584 -1.138 -3.892 7.674 1.00 51.42 C ATOM 701 O ALA A 584 -1.863 -4.722 8.222 1.00 63.00 O ATOM 702 CB ALA A 584 0.254 -2.360 9.077 1.00 43.54 C ATOM 0 H ALA A 584 1.602 -2.516 7.017 1.00 35.01 H new ATOM 0 HA ALA A 584 0.572 -4.458 8.812 1.00 12.33 H new ATOM 0 HB1 ALA A 584 -0.464 -2.487 9.887 1.00 43.54 H new ATOM 0 HB2 ALA A 584 1.248 -2.202 9.495 1.00 43.54 H new ATOM 0 HB3 ALA A 584 -0.028 -1.497 8.474 1.00 43.54 H new ATOM 708 N GLU A 585 -1.512 -3.197 6.604 1.00 35.22 N ATOM 709 CA GLU A 585 -2.828 -3.376 6.001 1.00 42.34 C ATOM 710 C GLU A 585 -2.930 -4.732 5.308 1.00 45.51 C ATOM 711 O GLU A 585 -3.906 -5.461 5.487 1.00 3.34 O ATOM 712 CB GLU A 585 -3.108 -2.256 4.996 1.00 32.22 C ATOM 713 CG GLU A 585 -2.798 -0.867 5.529 1.00 23.31 C ATOM 714 CD GLU A 585 -3.643 -0.503 6.735 1.00 64.12 C ATOM 715 OE1 GLU A 585 -4.819 -0.920 6.782 1.00 44.30 O ATOM 716 OE2 GLU A 585 -3.128 0.200 7.630 1.00 33.44 O ATOM 0 H GLU A 585 -0.924 -2.506 6.138 1.00 35.22 H new ATOM 0 HA GLU A 585 -3.572 -3.337 6.796 1.00 42.34 H new ATOM 0 HB2 GLU A 585 -2.518 -2.431 4.097 1.00 32.22 H new ATOM 0 HB3 GLU A 585 -4.157 -2.297 4.702 1.00 32.22 H new ATOM 0 HG2 GLU A 585 -1.743 -0.813 5.799 1.00 23.31 H new ATOM 0 HG3 GLU A 585 -2.963 -0.134 4.740 1.00 23.31 H new ATOM 724 N ILE A 586 -1.915 -5.062 4.517 1.00 61.24 N ATOM 725 CA ILE A 586 -1.889 -6.331 3.798 1.00 4.52 C ATOM 726 C ILE A 586 -1.940 -7.510 4.764 1.00 71.53 C ATOM 727 O ILE A 586 -2.398 -8.597 4.408 1.00 22.32 O ATOM 728 CB ILE A 586 -0.630 -6.455 2.921 1.00 45.03 C ATOM 729 CG1 ILE A 586 -0.585 -5.323 1.892 1.00 11.50 C ATOM 730 CG2 ILE A 586 -0.599 -7.809 2.227 1.00 5.20 C ATOM 731 CD1 ILE A 586 0.817 -4.953 1.461 1.00 52.23 C ATOM 0 H ILE A 586 -1.100 -4.469 4.357 1.00 61.24 H new ATOM 0 HA ILE A 586 -2.771 -6.350 3.158 1.00 4.52 H new ATOM 0 HB ILE A 586 0.249 -6.375 3.560 1.00 45.03 H new ATOM 0 HG12 ILE A 586 -1.160 -5.618 1.014 1.00 11.50 H new ATOM 0 HG13 ILE A 586 -1.072 -4.442 2.311 1.00 11.50 H new ATOM 0 HG21 ILE A 586 0.297 -7.881 1.611 1.00 5.20 H new ATOM 0 HG22 ILE A 586 -0.590 -8.601 2.975 1.00 5.20 H new ATOM 0 HG23 ILE A 586 -1.482 -7.915 1.597 1.00 5.20 H new ATOM 0 HD11 ILE A 586 0.772 -4.145 0.731 1.00 52.23 H new ATOM 0 HD12 ILE A 586 1.390 -4.627 2.329 1.00 52.23 H new ATOM 0 HD13 ILE A 586 1.300 -5.821 1.012 1.00 52.23 H new ATOM 743 N LEU A 587 -1.470 -7.288 5.986 1.00 33.21 N ATOM 744 CA LEU A 587 -1.464 -8.332 7.004 1.00 21.40 C ATOM 745 C LEU A 587 -2.879 -8.629 7.489 1.00 12.24 C ATOM 746 O LEU A 587 -3.251 -9.786 7.682 1.00 41.31 O ATOM 747 CB LEU A 587 -0.584 -7.916 8.185 1.00 62.41 C ATOM 748 CG LEU A 587 0.907 -8.228 8.054 1.00 50.13 C ATOM 749 CD1 LEU A 587 1.702 -7.496 9.123 1.00 30.34 C ATOM 750 CD2 LEU A 587 1.148 -9.729 8.140 1.00 40.32 C ATOM 0 H LEU A 587 -1.088 -6.394 6.296 1.00 33.21 H new ATOM 0 HA LEU A 587 -1.056 -9.238 6.556 1.00 21.40 H new ATOM 0 HB2 LEU A 587 -0.698 -6.843 8.337 1.00 62.41 H new ATOM 0 HB3 LEU A 587 -0.960 -8.407 9.083 1.00 62.41 H new ATOM 0 HG LEU A 587 1.246 -7.881 7.078 1.00 50.13 H new ATOM 0 HD11 LEU A 587 2.761 -7.731 9.014 1.00 30.34 H new ATOM 0 HD12 LEU A 587 1.555 -6.421 9.014 1.00 30.34 H new ATOM 0 HD13 LEU A 587 1.361 -7.810 10.109 1.00 30.34 H new ATOM 0 HD21 LEU A 587 2.215 -9.932 8.045 1.00 40.32 H new ATOM 0 HD22 LEU A 587 0.792 -10.100 9.101 1.00 40.32 H new ATOM 0 HD23 LEU A 587 0.610 -10.231 7.336 1.00 40.32 H new ATOM 762 N SER A 588 -3.665 -7.574 7.684 1.00 12.21 N ATOM 763 CA SER A 588 -5.039 -7.721 8.149 1.00 50.44 C ATOM 764 C SER A 588 -5.964 -8.103 6.997 1.00 74.12 C ATOM 765 O SER A 588 -6.879 -8.911 7.163 1.00 40.42 O ATOM 766 CB SER A 588 -5.523 -6.422 8.796 1.00 2.44 C ATOM 767 OG SER A 588 -6.826 -6.572 9.330 1.00 53.31 O ATOM 0 H SER A 588 -3.374 -6.609 7.527 1.00 12.21 H new ATOM 0 HA SER A 588 -5.062 -8.519 8.891 1.00 50.44 H new ATOM 0 HB2 SER A 588 -4.834 -6.128 9.588 1.00 2.44 H new ATOM 0 HB3 SER A 588 -5.520 -5.621 8.057 1.00 2.44 H new ATOM 0 HG SER A 588 -7.111 -5.728 9.739 1.00 53.31 H new ATOM 773 N TYR A 589 -5.719 -7.516 5.831 1.00 22.20 N ATOM 774 CA TYR A 589 -6.530 -7.793 4.652 1.00 50.44 C ATOM 775 C TYR A 589 -6.464 -9.270 4.278 1.00 43.42 C ATOM 776 O TYR A 589 -7.462 -9.867 3.874 1.00 53.20 O ATOM 777 CB TYR A 589 -6.064 -6.936 3.473 1.00 2.43 C ATOM 778 CG TYR A 589 -6.725 -7.297 2.162 1.00 4.42 C ATOM 779 CD1 TYR A 589 -8.103 -7.209 2.008 1.00 4.14 C ATOM 780 CD2 TYR A 589 -5.970 -7.725 1.076 1.00 31.05 C ATOM 781 CE1 TYR A 589 -8.711 -7.538 0.813 1.00 60.24 C ATOM 782 CE2 TYR A 589 -6.570 -8.055 -0.124 1.00 33.34 C ATOM 783 CZ TYR A 589 -7.940 -7.960 -0.250 1.00 21.42 C ATOM 784 OH TYR A 589 -8.542 -8.288 -1.444 1.00 22.24 O ATOM 0 H TYR A 589 -4.966 -6.846 5.677 1.00 22.20 H new ATOM 0 HA TYR A 589 -7.564 -7.543 4.889 1.00 50.44 H new ATOM 0 HB2 TYR A 589 -6.265 -5.888 3.695 1.00 2.43 H new ATOM 0 HB3 TYR A 589 -4.984 -7.038 3.366 1.00 2.43 H new ATOM 0 HD1 TYR A 589 -8.709 -6.877 2.838 1.00 4.14 H new ATOM 0 HD2 TYR A 589 -4.897 -7.801 1.172 1.00 31.05 H new ATOM 0 HE1 TYR A 589 -9.784 -7.465 0.711 1.00 60.24 H new ATOM 0 HE2 TYR A 589 -5.970 -8.385 -0.959 1.00 33.34 H new ATOM 0 HH TYR A 589 -7.859 -8.564 -2.090 1.00 22.24 H new ATOM 794 N LYS A 590 -5.279 -9.856 4.416 1.00 41.31 N ATOM 795 CA LYS A 590 -5.079 -11.264 4.096 1.00 61.01 C ATOM 796 C LYS A 590 -5.741 -12.158 5.139 1.00 34.22 C ATOM 797 O LYS A 590 -6.558 -13.017 4.806 1.00 60.22 O ATOM 798 CB LYS A 590 -3.585 -11.582 4.012 1.00 62.11 C ATOM 799 CG LYS A 590 -3.270 -12.811 3.178 1.00 62.01 C ATOM 800 CD LYS A 590 -3.227 -12.483 1.694 1.00 35.53 C ATOM 801 CE LYS A 590 -2.402 -13.501 0.922 1.00 22.03 C ATOM 802 NZ LYS A 590 -3.158 -14.760 0.680 1.00 20.51 N ATOM 0 H LYS A 590 -4.442 -9.377 4.748 1.00 41.31 H new ATOM 0 HA LYS A 590 -5.541 -11.460 3.128 1.00 61.01 H new ATOM 0 HB2 LYS A 590 -3.063 -10.723 3.590 1.00 62.11 H new ATOM 0 HB3 LYS A 590 -3.196 -11.728 5.020 1.00 62.11 H new ATOM 0 HG2 LYS A 590 -2.311 -13.226 3.488 1.00 62.01 H new ATOM 0 HG3 LYS A 590 -4.023 -13.578 3.360 1.00 62.01 H new ATOM 0 HD2 LYS A 590 -4.242 -12.458 1.296 1.00 35.53 H new ATOM 0 HD3 LYS A 590 -2.805 -11.488 1.552 1.00 35.53 H new ATOM 0 HE2 LYS A 590 -2.097 -13.072 -0.032 1.00 22.03 H new ATOM 0 HE3 LYS A 590 -1.491 -13.726 1.477 1.00 22.03 H new ATOM 0 HZ1 LYS A 590 -2.561 -15.427 0.151 1.00 20.51 H new ATOM 0 HZ2 LYS A 590 -3.428 -15.183 1.591 1.00 20.51 H new ATOM 0 HZ3 LYS A 590 -4.014 -14.550 0.129 1.00 20.51 H new ATOM 816 N SER A 591 -5.386 -11.950 6.403 1.00 23.21 N ATOM 817 CA SER A 591 -5.945 -12.739 7.494 1.00 25.10 C ATOM 818 C SER A 591 -7.469 -12.682 7.481 1.00 44.24 C ATOM 819 O SER A 591 -8.139 -13.643 7.858 1.00 13.25 O ATOM 820 CB SER A 591 -5.416 -12.236 8.839 1.00 42.33 C ATOM 821 OG SER A 591 -5.729 -13.143 9.882 1.00 3.11 O ATOM 0 H SER A 591 -4.714 -11.241 6.697 1.00 23.21 H new ATOM 0 HA SER A 591 -5.637 -13.775 7.355 1.00 25.10 H new ATOM 0 HB2 SER A 591 -4.336 -12.102 8.781 1.00 42.33 H new ATOM 0 HB3 SER A 591 -5.847 -11.260 9.061 1.00 42.33 H new ATOM 0 HG SER A 591 -5.379 -12.799 10.730 1.00 3.11 H new ATOM 827 N GLN A 592 -8.009 -11.549 7.044 1.00 2.30 N ATOM 828 CA GLN A 592 -9.454 -11.365 6.982 1.00 61.43 C ATOM 829 C GLN A 592 -10.077 -12.297 5.947 1.00 11.22 C ATOM 830 O GLN A 592 -11.239 -12.686 6.067 1.00 3.11 O ATOM 831 CB GLN A 592 -9.790 -9.912 6.646 1.00 33.02 C ATOM 832 CG GLN A 592 -9.925 -9.020 7.870 1.00 3.11 C ATOM 833 CD GLN A 592 -10.502 -7.658 7.539 1.00 10.12 C ATOM 834 OE1 GLN A 592 -9.901 -6.626 7.839 1.00 33.55 O ATOM 835 NE2 GLN A 592 -11.675 -7.647 6.915 1.00 21.42 N ATOM 0 H GLN A 592 -7.467 -10.745 6.728 1.00 2.30 H new ATOM 0 HA GLN A 592 -9.869 -11.609 7.960 1.00 61.43 H new ATOM 0 HB2 GLN A 592 -9.013 -9.509 5.997 1.00 33.02 H new ATOM 0 HB3 GLN A 592 -10.722 -9.884 6.082 1.00 33.02 H new ATOM 0 HG2 GLN A 592 -10.563 -9.512 8.605 1.00 3.11 H new ATOM 0 HG3 GLN A 592 -8.946 -8.893 8.332 1.00 3.11 H new ATOM 0 HE21 GLN A 592 -12.139 -8.526 6.685 1.00 21.42 H new ATOM 0 HE22 GLN A 592 -12.112 -6.760 6.666 1.00 21.42 H new ATOM 844 N HIS A 593 -9.297 -12.650 4.931 1.00 51.25 N ATOM 845 CA HIS A 593 -9.772 -13.536 3.873 1.00 13.25 C ATOM 846 C HIS A 593 -9.034 -14.870 3.910 1.00 23.34 C ATOM 847 O HIS A 593 -8.660 -15.414 2.871 1.00 75.43 O ATOM 848 CB HIS A 593 -9.591 -12.877 2.506 1.00 43.12 C ATOM 849 CG HIS A 593 -10.464 -11.679 2.297 1.00 11.10 C ATOM 850 ND1 HIS A 593 -11.165 -11.452 1.131 1.00 21.55 N ATOM 851 CD2 HIS A 593 -10.750 -10.638 3.114 1.00 11.03 C ATOM 852 CE1 HIS A 593 -11.843 -10.324 1.241 1.00 40.41 C ATOM 853 NE2 HIS A 593 -11.609 -9.810 2.435 1.00 63.34 N ATOM 0 H HIS A 593 -8.333 -12.337 4.817 1.00 51.25 H new ATOM 0 HA HIS A 593 -10.833 -13.723 4.039 1.00 13.25 H new ATOM 0 HB2 HIS A 593 -8.548 -12.581 2.390 1.00 43.12 H new ATOM 0 HB3 HIS A 593 -9.802 -13.610 1.728 1.00 43.12 H new ATOM 0 HD2 HIS A 593 -10.372 -10.487 4.114 1.00 11.03 H new ATOM 0 HE1 HIS A 593 -12.481 -9.894 0.483 1.00 40.41 H new ATOM 0 HE2 HIS A 593 -12.002 -8.940 2.794 1.00 63.34 H new ATOM 862 N LEU A 594 -8.827 -15.393 5.114 1.00 73.40 N ATOM 863 CA LEU A 594 -8.133 -16.665 5.288 1.00 44.05 C ATOM 864 C LEU A 594 -9.127 -17.808 5.471 1.00 43.43 C ATOM 865 O LEU A 594 -10.267 -17.592 5.881 1.00 51.43 O ATOM 866 CB LEU A 594 -7.191 -16.594 6.491 1.00 61.11 C ATOM 867 CG LEU A 594 -6.045 -17.606 6.506 1.00 20.41 C ATOM 868 CD1 LEU A 594 -5.124 -17.388 5.316 1.00 41.31 C ATOM 869 CD2 LEU A 594 -5.266 -17.511 7.810 1.00 31.14 C ATOM 0 H LEU A 594 -9.130 -14.956 5.984 1.00 73.40 H new ATOM 0 HA LEU A 594 -7.549 -16.858 4.388 1.00 44.05 H new ATOM 0 HB2 LEU A 594 -6.765 -15.592 6.535 1.00 61.11 H new ATOM 0 HB3 LEU A 594 -7.781 -16.729 7.398 1.00 61.11 H new ATOM 0 HG LEU A 594 -6.470 -18.607 6.432 1.00 20.41 H new ATOM 0 HD11 LEU A 594 -4.315 -18.118 5.344 1.00 41.31 H new ATOM 0 HD12 LEU A 594 -5.689 -17.508 4.392 1.00 41.31 H new ATOM 0 HD13 LEU A 594 -4.707 -16.382 5.358 1.00 41.31 H new ATOM 0 HD21 LEU A 594 -4.454 -18.239 7.803 1.00 31.14 H new ATOM 0 HD22 LEU A 594 -4.853 -16.508 7.915 1.00 31.14 H new ATOM 0 HD23 LEU A 594 -5.932 -17.719 8.648 1.00 31.14 H new ATOM 881 N SER A 595 -8.685 -19.023 5.166 1.00 31.33 N ATOM 882 CA SER A 595 -9.536 -20.200 5.296 1.00 64.44 C ATOM 883 C SER A 595 -8.740 -21.390 5.823 1.00 70.21 C ATOM 884 O SER A 595 -7.514 -21.426 5.720 1.00 55.13 O ATOM 885 CB SER A 595 -10.167 -20.551 3.947 1.00 43.10 C ATOM 886 OG SER A 595 -10.429 -19.384 3.188 1.00 41.43 O ATOM 0 H SER A 595 -7.743 -19.219 4.827 1.00 31.33 H new ATOM 0 HA SER A 595 -10.327 -19.969 6.010 1.00 64.44 H new ATOM 0 HB2 SER A 595 -9.500 -21.209 3.390 1.00 43.10 H new ATOM 0 HB3 SER A 595 -11.095 -21.100 4.108 1.00 43.10 H new ATOM 0 HG SER A 595 -10.831 -19.635 2.330 1.00 41.43 H new ATOM 892 N GLU A 596 -9.448 -22.363 6.389 1.00 51.03 N ATOM 893 CA GLU A 596 -8.808 -23.556 6.934 1.00 55.44 C ATOM 894 C GLU A 596 -7.930 -24.229 5.883 1.00 24.31 C ATOM 895 O GLU A 596 -8.321 -25.228 5.281 1.00 20.34 O ATOM 896 CB GLU A 596 -9.863 -24.541 7.441 1.00 43.25 C ATOM 897 CG GLU A 596 -9.328 -25.532 8.460 1.00 34.42 C ATOM 898 CD GLU A 596 -8.721 -26.763 7.814 1.00 31.51 C ATOM 899 OE1 GLU A 596 -9.470 -27.525 7.170 1.00 75.34 O ATOM 900 OE2 GLU A 596 -7.496 -26.963 7.954 1.00 74.14 O ATOM 0 H GLU A 596 -10.464 -22.349 6.482 1.00 51.03 H new ATOM 0 HA GLU A 596 -8.177 -23.251 7.768 1.00 55.44 H new ATOM 0 HB2 GLU A 596 -10.686 -23.982 7.887 1.00 43.25 H new ATOM 0 HB3 GLU A 596 -10.273 -25.090 6.593 1.00 43.25 H new ATOM 0 HG2 GLU A 596 -8.575 -25.042 9.077 1.00 34.42 H new ATOM 0 HG3 GLU A 596 -10.137 -25.836 9.125 1.00 34.42 H new TER 908 GLU A 596