USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 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 589 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 593 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.55) USER MOD Single : A 542 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 543 MET CE :methyl -134:sc= -0.296 (180deg=-1.07) 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 78:sc= 1.06 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 CYS SG : rot 64:sc= 0.0244 USER MOD Single : A 564 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.5!) USER MOD Single : A 570 MET CE :methyl -110:sc= -4.29! (180deg=-11.9!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.034) USER MOD Single : A 581 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.6!) USER MOD Single : A 588 SER OG : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0393) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 592 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.0042) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 -8.712 20.320 2.052 1.00 3.11 N ATOM 2 CA GLY A 540 -7.665 19.852 2.942 1.00 12.51 C ATOM 3 C GLY A 540 -6.527 19.183 2.198 1.00 63.14 C ATOM 4 O GLY A 540 -5.424 19.719 2.093 1.00 42.14 O ATOM 0 HA2 GLY A 540 -7.275 20.694 3.514 1.00 12.51 H new ATOM 0 HA3 GLY A 540 -8.089 19.149 3.659 1.00 12.51 H new ATOM 8 N PRO A 541 -6.790 17.980 1.665 1.00 11.11 N ATOM 9 CA PRO A 541 -5.792 17.209 0.918 1.00 43.14 C ATOM 10 C PRO A 541 -5.460 17.842 -0.430 1.00 35.43 C ATOM 11 O PRO A 541 -6.355 18.235 -1.179 1.00 21.01 O ATOM 12 CB PRO A 541 -6.468 15.851 0.719 1.00 62.23 C ATOM 13 CG PRO A 541 -7.928 16.142 0.780 1.00 30.21 C ATOM 14 CD PRO A 541 -8.083 17.280 1.751 1.00 21.33 C ATOM 0 HA PRO A 541 -4.841 17.153 1.448 1.00 43.14 H new ATOM 0 HB2 PRO A 541 -6.192 15.408 -0.238 1.00 62.23 H new ATOM 0 HB3 PRO A 541 -6.172 15.144 1.494 1.00 62.23 H new ATOM 0 HG2 PRO A 541 -8.313 16.412 -0.203 1.00 30.21 H new ATOM 0 HG3 PRO A 541 -8.487 15.267 1.112 1.00 30.21 H new ATOM 0 HD2 PRO A 541 -8.912 17.932 1.477 1.00 21.33 H new ATOM 0 HD3 PRO A 541 -8.280 16.922 2.762 1.00 21.33 H new ATOM 22 N HIS A 542 -4.170 17.938 -0.732 1.00 2.51 N ATOM 23 CA HIS A 542 -3.721 18.523 -1.990 1.00 62.51 C ATOM 24 C HIS A 542 -2.767 17.579 -2.718 1.00 1.11 C ATOM 25 O HIS A 542 -1.747 17.167 -2.168 1.00 51.11 O ATOM 26 CB HIS A 542 -3.033 19.865 -1.737 1.00 71.43 C ATOM 27 CG HIS A 542 -2.449 20.481 -2.971 1.00 13.20 C ATOM 28 ND1 HIS A 542 -1.277 21.207 -2.968 1.00 63.11 N ATOM 29 CD2 HIS A 542 -2.883 20.476 -4.253 1.00 71.13 C ATOM 30 CE1 HIS A 542 -1.015 21.622 -4.194 1.00 33.30 C ATOM 31 NE2 HIS A 542 -1.975 21.191 -4.994 1.00 44.01 N ATOM 0 H HIS A 542 -3.417 17.618 -0.123 1.00 2.51 H new ATOM 0 HA HIS A 542 -4.596 18.685 -2.619 1.00 62.51 H new ATOM 0 HB2 HIS A 542 -3.754 20.557 -1.302 1.00 71.43 H new ATOM 0 HB3 HIS A 542 -2.241 19.725 -1.001 1.00 71.43 H new ATOM 0 HD2 HIS A 542 -3.778 19.998 -4.624 1.00 71.13 H new ATOM 0 HE1 HIS A 542 -0.162 22.213 -4.492 1.00 33.30 H new ATOM 0 HE2 HIS A 542 -2.032 21.362 -5.998 1.00 44.01 H new ATOM 40 N MET A 543 -3.108 17.241 -3.957 1.00 55.34 N ATOM 41 CA MET A 543 -2.282 16.347 -4.760 1.00 40.24 C ATOM 42 C MET A 543 -1.264 17.135 -5.578 1.00 52.41 C ATOM 43 O MET A 543 -1.617 18.084 -6.277 1.00 64.05 O ATOM 44 CB MET A 543 -3.159 15.505 -5.689 1.00 11.01 C ATOM 45 CG MET A 543 -4.136 14.605 -4.951 1.00 62.54 C ATOM 46 SD MET A 543 -5.460 13.997 -6.015 1.00 44.42 S ATOM 47 CE MET A 543 -6.287 15.530 -6.435 1.00 22.32 C ATOM 0 H MET A 543 -3.950 17.573 -4.427 1.00 55.34 H new ATOM 0 HA MET A 543 -1.742 15.685 -4.083 1.00 40.24 H new ATOM 0 HB2 MET A 543 -3.717 16.169 -6.349 1.00 11.01 H new ATOM 0 HB3 MET A 543 -2.519 14.891 -6.322 1.00 11.01 H new ATOM 0 HG2 MET A 543 -3.596 13.757 -4.529 1.00 62.54 H new ATOM 0 HG3 MET A 543 -4.570 15.154 -4.115 1.00 62.54 H new ATOM 0 HE1 MET A 543 -7.364 15.404 -6.327 1.00 22.32 H new ATOM 0 HE2 MET A 543 -5.946 16.322 -5.768 1.00 22.32 H new ATOM 0 HE3 MET A 543 -6.055 15.798 -7.466 1.00 22.32 H new ATOM 57 N GLY A 544 0.001 16.735 -5.485 1.00 13.45 N ATOM 58 CA GLY A 544 1.049 17.416 -6.221 1.00 65.10 C ATOM 59 C GLY A 544 2.436 16.961 -5.808 1.00 55.24 C ATOM 60 O GLY A 544 3.363 16.958 -6.618 1.00 73.33 O ATOM 0 H GLY A 544 0.318 15.952 -4.913 1.00 13.45 H new ATOM 0 HA2 GLY A 544 0.914 17.238 -7.288 1.00 65.10 H new ATOM 0 HA3 GLY A 544 0.960 18.491 -6.063 1.00 65.10 H new ATOM 64 N ASP A 545 2.579 16.579 -4.544 1.00 65.44 N ATOM 65 CA ASP A 545 3.863 16.122 -4.024 1.00 52.25 C ATOM 66 C ASP A 545 3.817 14.632 -3.700 1.00 44.00 C ATOM 67 O ASP A 545 4.829 13.934 -3.796 1.00 15.21 O ATOM 68 CB ASP A 545 4.244 16.918 -2.775 1.00 71.42 C ATOM 69 CG ASP A 545 3.039 17.279 -1.929 1.00 32.43 C ATOM 70 OD1 ASP A 545 2.452 18.357 -2.161 1.00 42.14 O ATOM 71 OD2 ASP A 545 2.683 16.484 -1.035 1.00 13.34 O ATOM 0 H ASP A 545 1.822 16.577 -3.860 1.00 65.44 H new ATOM 0 HA ASP A 545 4.619 16.285 -4.793 1.00 52.25 H new ATOM 0 HB2 ASP A 545 4.944 16.335 -2.176 1.00 71.42 H new ATOM 0 HB3 ASP A 545 4.762 17.830 -3.073 1.00 71.42 H new ATOM 77 N LEU A 546 2.641 14.151 -3.315 1.00 61.34 N ATOM 78 CA LEU A 546 2.464 12.744 -2.975 1.00 75.41 C ATOM 79 C LEU A 546 2.993 11.844 -4.087 1.00 24.30 C ATOM 80 O LEU A 546 3.457 10.733 -3.832 1.00 72.35 O ATOM 81 CB LEU A 546 0.987 12.442 -2.720 1.00 35.05 C ATOM 82 CG LEU A 546 0.482 12.707 -1.301 1.00 44.11 C ATOM 83 CD1 LEU A 546 1.081 11.706 -0.325 1.00 72.42 C ATOM 84 CD2 LEU A 546 0.811 14.130 -0.875 1.00 11.20 C ATOM 0 H LEU A 546 1.795 14.715 -3.230 1.00 61.34 H new ATOM 0 HA LEU A 546 3.032 12.542 -2.067 1.00 75.41 H new ATOM 0 HB2 LEU A 546 0.391 13.036 -3.413 1.00 35.05 H new ATOM 0 HB3 LEU A 546 0.805 11.394 -2.959 1.00 35.05 H new ATOM 0 HG LEU A 546 -0.601 12.587 -1.294 1.00 44.11 H new ATOM 0 HD11 LEU A 546 0.710 11.910 0.679 1.00 72.42 H new ATOM 0 HD12 LEU A 546 0.795 10.696 -0.619 1.00 72.42 H new ATOM 0 HD13 LEU A 546 2.167 11.793 -0.335 1.00 72.42 H new ATOM 0 HD21 LEU A 546 0.444 14.301 0.137 1.00 11.20 H new ATOM 0 HD22 LEU A 546 1.891 14.277 -0.899 1.00 11.20 H new ATOM 0 HD23 LEU A 546 0.334 14.834 -1.557 1.00 11.20 H new ATOM 96 N ALA A 547 2.924 12.333 -5.321 1.00 35.12 N ATOM 97 CA ALA A 547 3.400 11.575 -6.471 1.00 50.24 C ATOM 98 C ALA A 547 4.845 11.130 -6.275 1.00 25.34 C ATOM 99 O ALA A 547 5.238 10.049 -6.715 1.00 45.32 O ATOM 100 CB ALA A 547 3.269 12.404 -7.741 1.00 1.34 C ATOM 0 H ALA A 547 2.543 13.251 -5.550 1.00 35.12 H new ATOM 0 HA ALA A 547 2.782 10.682 -6.567 1.00 50.24 H new ATOM 0 HB1 ALA A 547 3.628 11.825 -8.592 1.00 1.34 H new ATOM 0 HB2 ALA A 547 2.223 12.668 -7.897 1.00 1.34 H new ATOM 0 HB3 ALA A 547 3.862 13.314 -7.645 1.00 1.34 H new ATOM 106 N LYS A 548 5.633 11.969 -5.611 1.00 40.24 N ATOM 107 CA LYS A 548 7.035 11.663 -5.356 1.00 21.42 C ATOM 108 C LYS A 548 7.169 10.519 -4.354 1.00 41.54 C ATOM 109 O LYS A 548 8.128 9.750 -4.401 1.00 71.14 O ATOM 110 CB LYS A 548 7.762 12.902 -4.830 1.00 1.43 C ATOM 111 CG LYS A 548 9.274 12.760 -4.816 1.00 23.24 C ATOM 112 CD LYS A 548 9.772 12.230 -3.482 1.00 11.54 C ATOM 113 CE LYS A 548 11.198 12.679 -3.201 1.00 25.22 C ATOM 114 NZ LYS A 548 11.649 12.273 -1.841 1.00 22.14 N ATOM 0 H LYS A 548 5.324 12.867 -5.239 1.00 40.24 H new ATOM 0 HA LYS A 548 7.490 11.354 -6.297 1.00 21.42 H new ATOM 0 HB2 LYS A 548 7.492 13.760 -5.445 1.00 1.43 H new ATOM 0 HB3 LYS A 548 7.416 13.114 -3.818 1.00 1.43 H new ATOM 0 HG2 LYS A 548 9.584 12.087 -5.615 1.00 23.24 H new ATOM 0 HG3 LYS A 548 9.733 13.728 -5.018 1.00 23.24 H new ATOM 0 HD2 LYS A 548 9.116 12.577 -2.684 1.00 11.54 H new ATOM 0 HD3 LYS A 548 9.726 11.141 -3.482 1.00 11.54 H new ATOM 0 HE2 LYS A 548 11.867 12.252 -3.948 1.00 25.22 H new ATOM 0 HE3 LYS A 548 11.263 13.763 -3.297 1.00 25.22 H new ATOM 0 HZ1 LYS A 548 12.625 12.597 -1.688 1.00 22.14 H new ATOM 0 HZ2 LYS A 548 11.026 12.701 -1.127 1.00 22.14 H new ATOM 0 HZ3 LYS A 548 11.611 11.237 -1.758 1.00 22.14 H new ATOM 128 N GLU A 549 6.200 10.415 -3.450 1.00 31.52 N ATOM 129 CA GLU A 549 6.210 9.364 -2.438 1.00 53.03 C ATOM 130 C GLU A 549 5.945 8.000 -3.067 1.00 61.24 C ATOM 131 O GLU A 549 6.779 7.098 -2.993 1.00 41.04 O ATOM 132 CB GLU A 549 5.163 9.653 -1.361 1.00 33.14 C ATOM 133 CG GLU A 549 5.752 10.198 -0.071 1.00 13.13 C ATOM 134 CD GLU A 549 4.730 10.938 0.771 1.00 72.32 C ATOM 135 OE1 GLU A 549 4.095 10.296 1.633 1.00 61.41 O ATOM 136 OE2 GLU A 549 4.565 12.159 0.568 1.00 62.25 O ATOM 0 H GLU A 549 5.399 11.044 -3.397 1.00 31.52 H new ATOM 0 HA GLU A 549 7.198 9.347 -1.979 1.00 53.03 H new ATOM 0 HB2 GLU A 549 4.440 10.369 -1.752 1.00 33.14 H new ATOM 0 HB3 GLU A 549 4.616 8.736 -1.142 1.00 33.14 H new ATOM 0 HG2 GLU A 549 6.168 9.375 0.510 1.00 13.13 H new ATOM 0 HG3 GLU A 549 6.577 10.870 -0.308 1.00 13.13 H new ATOM 144 N ARG A 550 4.778 7.857 -3.686 1.00 61.21 N ATOM 145 CA ARG A 550 4.401 6.603 -4.327 1.00 65.44 C ATOM 146 C ARG A 550 5.496 6.128 -5.278 1.00 62.32 C ATOM 147 O ARG A 550 5.756 4.931 -5.392 1.00 71.11 O ATOM 148 CB ARG A 550 3.086 6.770 -5.090 1.00 34.43 C ATOM 149 CG ARG A 550 2.630 5.507 -5.803 1.00 13.03 C ATOM 150 CD ARG A 550 1.121 5.488 -5.991 1.00 30.30 C ATOM 151 NE ARG A 550 0.632 6.714 -6.617 1.00 34.23 N ATOM 152 CZ ARG A 550 -0.644 7.084 -6.609 1.00 1.21 C ATOM 153 NH1 ARG A 550 -1.554 6.328 -6.010 1.00 4.43 N ATOM 154 NH2 ARG A 550 -1.012 8.214 -7.200 1.00 3.21 N ATOM 0 H ARG A 550 4.077 8.594 -3.757 1.00 61.21 H new ATOM 0 HA ARG A 550 4.268 5.852 -3.548 1.00 65.44 H new ATOM 0 HB2 ARG A 550 2.309 7.084 -4.393 1.00 34.43 H new ATOM 0 HB3 ARG A 550 3.200 7.569 -5.822 1.00 34.43 H new ATOM 0 HG2 ARG A 550 3.120 5.439 -6.774 1.00 13.03 H new ATOM 0 HG3 ARG A 550 2.937 4.633 -5.229 1.00 13.03 H new ATOM 0 HD2 ARG A 550 0.843 4.632 -6.605 1.00 30.30 H new ATOM 0 HD3 ARG A 550 0.637 5.357 -5.023 1.00 30.30 H new ATOM 0 HE ARG A 550 1.307 7.319 -7.086 1.00 34.23 H new ATOM 0 HH11 ARG A 550 -1.275 5.460 -5.554 1.00 4.43 H new ATOM 0 HH12 ARG A 550 -2.533 6.615 -6.006 1.00 4.43 H new ATOM 0 HH21 ARG A 550 -0.315 8.799 -7.661 1.00 3.21 H new ATOM 0 HH22 ARG A 550 -1.992 8.497 -7.193 1.00 3.21 H new ATOM 168 N ALA A 551 6.133 7.075 -5.959 1.00 22.15 N ATOM 169 CA ALA A 551 7.201 6.753 -6.898 1.00 53.33 C ATOM 170 C ALA A 551 8.253 5.861 -6.249 1.00 34.41 C ATOM 171 O ALA A 551 8.506 4.748 -6.710 1.00 14.12 O ATOM 172 CB ALA A 551 7.841 8.029 -7.426 1.00 14.22 C ATOM 0 H ALA A 551 5.928 8.071 -5.878 1.00 22.15 H new ATOM 0 HA ALA A 551 6.764 6.205 -7.733 1.00 53.33 H new ATOM 0 HB1 ALA A 551 8.637 7.774 -8.126 1.00 14.22 H new ATOM 0 HB2 ALA A 551 7.088 8.630 -7.936 1.00 14.22 H new ATOM 0 HB3 ALA A 551 8.257 8.598 -6.595 1.00 14.22 H new ATOM 178 N GLY A 552 8.863 6.355 -5.177 1.00 41.41 N ATOM 179 CA GLY A 552 9.881 5.588 -4.483 1.00 45.54 C ATOM 180 C GLY A 552 9.295 4.466 -3.650 1.00 42.54 C ATOM 181 O GLY A 552 9.783 3.337 -3.687 1.00 32.52 O ATOM 0 H GLY A 552 8.671 7.273 -4.776 1.00 41.41 H new ATOM 0 HA2 GLY A 552 10.576 5.171 -5.211 1.00 45.54 H new ATOM 0 HA3 GLY A 552 10.456 6.253 -3.838 1.00 45.54 H new ATOM 185 N VAL A 553 8.247 4.778 -2.895 1.00 63.30 N ATOM 186 CA VAL A 553 7.593 3.787 -2.048 1.00 40.11 C ATOM 187 C VAL A 553 7.232 2.537 -2.843 1.00 4.12 C ATOM 188 O VAL A 553 7.642 1.428 -2.497 1.00 4.45 O ATOM 189 CB VAL A 553 6.317 4.356 -1.400 1.00 2.22 C ATOM 190 CG1 VAL A 553 5.612 3.288 -0.580 1.00 24.33 C ATOM 191 CG2 VAL A 553 6.652 5.566 -0.539 1.00 53.21 C ATOM 0 H VAL A 553 7.832 5.709 -2.852 1.00 63.30 H new ATOM 0 HA VAL A 553 8.303 3.523 -1.264 1.00 40.11 H new ATOM 0 HB VAL A 553 5.640 4.677 -2.192 1.00 2.22 H new ATOM 0 HG11 VAL A 553 4.713 3.709 -0.130 1.00 24.33 H new ATOM 0 HG12 VAL A 553 5.338 2.455 -1.227 1.00 24.33 H new ATOM 0 HG13 VAL A 553 6.279 2.933 0.206 1.00 24.33 H new ATOM 0 HG21 VAL A 553 5.739 5.956 -0.088 1.00 53.21 H new ATOM 0 HG22 VAL A 553 7.348 5.272 0.247 1.00 53.21 H new ATOM 0 HG23 VAL A 553 7.109 6.338 -1.158 1.00 53.21 H new ATOM 201 N TYR A 554 6.464 2.724 -3.909 1.00 74.52 N ATOM 202 CA TYR A 554 6.044 1.611 -4.753 1.00 63.41 C ATOM 203 C TYR A 554 7.244 0.771 -5.183 1.00 73.21 C ATOM 204 O TYR A 554 7.184 -0.459 -5.198 1.00 22.24 O ATOM 205 CB TYR A 554 5.303 2.129 -5.987 1.00 12.23 C ATOM 206 CG TYR A 554 4.892 1.038 -6.949 1.00 14.31 C ATOM 207 CD1 TYR A 554 3.712 0.328 -6.764 1.00 1.13 C ATOM 208 CD2 TYR A 554 5.683 0.718 -8.046 1.00 22.31 C ATOM 209 CE1 TYR A 554 3.333 -0.670 -7.640 1.00 42.24 C ATOM 210 CE2 TYR A 554 5.312 -0.279 -8.928 1.00 2.30 C ATOM 211 CZ TYR A 554 4.136 -0.970 -8.721 1.00 3.23 C ATOM 212 OH TYR A 554 3.762 -1.962 -9.597 1.00 74.25 O ATOM 0 H TYR A 554 6.119 3.635 -4.210 1.00 74.52 H new ATOM 0 HA TYR A 554 5.371 0.981 -4.171 1.00 63.41 H new ATOM 0 HB2 TYR A 554 4.414 2.672 -5.665 1.00 12.23 H new ATOM 0 HB3 TYR A 554 5.940 2.842 -6.510 1.00 12.23 H new ATOM 0 HD1 TYR A 554 3.080 0.561 -5.920 1.00 1.13 H new ATOM 0 HD2 TYR A 554 6.604 1.258 -8.212 1.00 22.31 H new ATOM 0 HE1 TYR A 554 2.413 -1.213 -7.480 1.00 42.24 H new ATOM 0 HE2 TYR A 554 5.939 -0.516 -9.775 1.00 2.30 H new ATOM 0 HH TYR A 554 4.436 -2.046 -10.303 1.00 74.25 H new ATOM 222 N THR A 555 8.335 1.445 -5.531 1.00 41.33 N ATOM 223 CA THR A 555 9.550 0.765 -5.962 1.00 62.31 C ATOM 224 C THR A 555 9.969 -0.301 -4.956 1.00 22.53 C ATOM 225 O THR A 555 10.349 -1.410 -5.332 1.00 2.22 O ATOM 226 CB THR A 555 10.712 1.757 -6.156 1.00 23.11 C ATOM 227 OG1 THR A 555 10.280 2.868 -6.948 1.00 52.21 O ATOM 228 CG2 THR A 555 11.896 1.079 -6.826 1.00 64.32 C ATOM 0 H THR A 555 8.402 2.463 -5.523 1.00 41.33 H new ATOM 0 HA THR A 555 9.325 0.291 -6.917 1.00 62.31 H new ATOM 0 HB THR A 555 11.026 2.112 -5.174 1.00 23.11 H new ATOM 0 HG1 THR A 555 9.757 3.483 -6.392 1.00 52.21 H new ATOM 0 HG21 THR A 555 12.704 1.799 -6.952 1.00 64.32 H new ATOM 0 HG22 THR A 555 12.241 0.252 -6.205 1.00 64.32 H new ATOM 0 HG23 THR A 555 11.593 0.699 -7.802 1.00 64.32 H new ATOM 236 N LYS A 556 9.896 0.042 -3.674 1.00 31.25 N ATOM 237 CA LYS A 556 10.266 -0.887 -2.612 1.00 10.34 C ATOM 238 C LYS A 556 9.164 -1.916 -2.379 1.00 40.32 C ATOM 239 O LYS A 556 9.436 -3.058 -2.010 1.00 34.42 O ATOM 240 CB LYS A 556 10.547 -0.123 -1.314 1.00 62.13 C ATOM 241 CG LYS A 556 12.014 0.217 -1.114 1.00 61.32 C ATOM 242 CD LYS A 556 12.388 1.509 -1.819 1.00 43.41 C ATOM 243 CE LYS A 556 13.822 1.915 -1.515 1.00 14.52 C ATOM 244 NZ LYS A 556 13.905 2.810 -0.328 1.00 13.34 N ATOM 0 H LYS A 556 9.584 0.956 -3.345 1.00 31.25 H new ATOM 0 HA LYS A 556 11.169 -1.412 -2.922 1.00 10.34 H new ATOM 0 HB2 LYS A 556 9.965 0.799 -1.312 1.00 62.13 H new ATOM 0 HB3 LYS A 556 10.202 -0.719 -0.469 1.00 62.13 H new ATOM 0 HG2 LYS A 556 12.225 0.309 -0.049 1.00 61.32 H new ATOM 0 HG3 LYS A 556 12.632 -0.597 -1.493 1.00 61.32 H new ATOM 0 HD2 LYS A 556 12.264 1.387 -2.895 1.00 43.41 H new ATOM 0 HD3 LYS A 556 11.710 2.304 -1.508 1.00 43.41 H new ATOM 0 HE2 LYS A 556 14.423 1.023 -1.340 1.00 14.52 H new ATOM 0 HE3 LYS A 556 14.248 2.421 -2.382 1.00 14.52 H new ATOM 0 HZ1 LYS A 556 14.898 3.064 -0.154 1.00 13.34 H new ATOM 0 HZ2 LYS A 556 13.353 3.673 -0.505 1.00 13.34 H new ATOM 0 HZ3 LYS A 556 13.522 2.319 0.505 1.00 13.34 H new ATOM 258 N LEU A 557 7.921 -1.503 -2.600 1.00 32.12 N ATOM 259 CA LEU A 557 6.777 -2.390 -2.417 1.00 12.45 C ATOM 260 C LEU A 557 6.922 -3.649 -3.265 1.00 25.43 C ATOM 261 O LEU A 557 6.445 -4.721 -2.889 1.00 54.44 O ATOM 262 CB LEU A 557 5.480 -1.665 -2.780 1.00 45.30 C ATOM 263 CG LEU A 557 4.721 -1.023 -1.618 1.00 21.31 C ATOM 264 CD1 LEU A 557 4.376 -2.067 -0.566 1.00 55.14 C ATOM 265 CD2 LEU A 557 5.538 0.105 -1.005 1.00 20.25 C ATOM 0 H LEU A 557 7.679 -0.560 -2.906 1.00 32.12 H new ATOM 0 HA LEU A 557 6.741 -2.683 -1.368 1.00 12.45 H new ATOM 0 HB2 LEU A 557 5.713 -0.888 -3.508 1.00 45.30 H new ATOM 0 HB3 LEU A 557 4.816 -2.375 -3.273 1.00 45.30 H new ATOM 0 HG LEU A 557 3.792 -0.603 -2.003 1.00 21.31 H new ATOM 0 HD11 LEU A 557 3.836 -1.593 0.254 1.00 55.14 H new ATOM 0 HD12 LEU A 557 3.751 -2.841 -1.012 1.00 55.14 H new ATOM 0 HD13 LEU A 557 5.293 -2.516 -0.185 1.00 55.14 H new ATOM 0 HD21 LEU A 557 4.982 0.550 -0.180 1.00 20.25 H new ATOM 0 HD22 LEU A 557 6.484 -0.291 -0.634 1.00 20.25 H new ATOM 0 HD23 LEU A 557 5.734 0.865 -1.762 1.00 20.25 H new ATOM 277 N CYS A 558 7.588 -3.514 -4.406 1.00 31.02 N ATOM 278 CA CYS A 558 7.799 -4.642 -5.307 1.00 52.42 C ATOM 279 C CYS A 558 8.706 -5.687 -4.667 1.00 32.24 C ATOM 280 O CYS A 558 8.749 -6.837 -5.102 1.00 1.41 O ATOM 281 CB CYS A 558 8.406 -4.161 -6.625 1.00 52.44 C ATOM 282 SG CYS A 558 7.318 -3.087 -7.591 1.00 13.53 S ATOM 0 H CYS A 558 7.991 -2.635 -4.730 1.00 31.02 H new ATOM 0 HA CYS A 558 6.831 -5.102 -5.507 1.00 52.42 H new ATOM 0 HB2 CYS A 558 9.331 -3.626 -6.412 1.00 52.44 H new ATOM 0 HB3 CYS A 558 8.671 -5.029 -7.229 1.00 52.44 H new ATOM 0 HG CYS A 558 7.085 -1.995 -6.926 1.00 13.53 H new ATOM 288 N GLY A 559 9.431 -5.278 -3.630 1.00 31.44 N ATOM 289 CA GLY A 559 10.329 -6.191 -2.947 1.00 12.24 C ATOM 290 C GLY A 559 9.812 -6.601 -1.582 1.00 10.12 C ATOM 291 O GLY A 559 10.455 -7.375 -0.873 1.00 21.40 O ATOM 0 H GLY A 559 9.412 -4.331 -3.251 1.00 31.44 H new ATOM 0 HA2 GLY A 559 10.473 -7.081 -3.560 1.00 12.24 H new ATOM 0 HA3 GLY A 559 11.306 -5.720 -2.836 1.00 12.24 H new ATOM 295 N VAL A 560 8.647 -6.079 -1.211 1.00 2.02 N ATOM 296 CA VAL A 560 8.044 -6.395 0.078 1.00 10.22 C ATOM 297 C VAL A 560 6.707 -7.105 -0.100 1.00 31.54 C ATOM 298 O VAL A 560 6.272 -7.861 0.770 1.00 65.41 O ATOM 299 CB VAL A 560 7.830 -5.125 0.923 1.00 32.31 C ATOM 300 CG1 VAL A 560 7.403 -5.491 2.337 1.00 24.21 C ATOM 301 CG2 VAL A 560 9.093 -4.278 0.941 1.00 51.40 C ATOM 0 H VAL A 560 8.102 -5.435 -1.785 1.00 2.02 H new ATOM 0 HA VAL A 560 8.737 -7.057 0.598 1.00 10.22 H new ATOM 0 HB VAL A 560 7.033 -4.537 0.469 1.00 32.31 H new ATOM 0 HG11 VAL A 560 7.256 -4.582 2.920 1.00 24.21 H new ATOM 0 HG12 VAL A 560 6.470 -6.053 2.301 1.00 24.21 H new ATOM 0 HG13 VAL A 560 8.176 -6.101 2.804 1.00 24.21 H new ATOM 0 HG21 VAL A 560 8.924 -3.385 1.543 1.00 51.40 H new ATOM 0 HG22 VAL A 560 9.912 -4.855 1.371 1.00 51.40 H new ATOM 0 HG23 VAL A 560 9.350 -3.986 -0.077 1.00 51.40 H new ATOM 311 N PHE A 561 6.058 -6.859 -1.233 1.00 70.14 N ATOM 312 CA PHE A 561 4.769 -7.475 -1.526 1.00 61.11 C ATOM 313 C PHE A 561 4.503 -7.492 -3.028 1.00 1.30 C ATOM 314 O PHE A 561 5.098 -6.737 -3.798 1.00 62.13 O ATOM 315 CB PHE A 561 3.646 -6.724 -0.806 1.00 61.53 C ATOM 316 CG PHE A 561 3.494 -7.114 0.636 1.00 3.45 C ATOM 317 CD1 PHE A 561 2.876 -8.304 0.985 1.00 10.43 C ATOM 318 CD2 PHE A 561 3.970 -6.290 1.644 1.00 31.12 C ATOM 319 CE1 PHE A 561 2.734 -8.664 2.313 1.00 72.25 C ATOM 320 CE2 PHE A 561 3.831 -6.646 2.973 1.00 10.41 C ATOM 321 CZ PHE A 561 3.214 -7.835 3.307 1.00 55.15 C ATOM 0 H PHE A 561 6.404 -6.237 -1.964 1.00 70.14 H new ATOM 0 HA PHE A 561 4.796 -8.504 -1.168 1.00 61.11 H new ATOM 0 HB2 PHE A 561 3.839 -5.653 -0.866 1.00 61.53 H new ATOM 0 HB3 PHE A 561 2.705 -6.908 -1.325 1.00 61.53 H new ATOM 0 HD1 PHE A 561 2.501 -8.958 0.212 1.00 10.43 H new ATOM 0 HD2 PHE A 561 4.455 -5.359 1.388 1.00 31.12 H new ATOM 0 HE1 PHE A 561 2.248 -9.593 2.572 1.00 72.25 H new ATOM 0 HE2 PHE A 561 4.205 -5.994 3.749 1.00 10.41 H new ATOM 0 HZ PHE A 561 3.107 -8.116 4.344 1.00 55.15 H new ATOM 331 N PRO A 562 3.587 -8.374 -3.457 1.00 43.32 N ATOM 332 CA PRO A 562 3.222 -8.510 -4.869 1.00 75.41 C ATOM 333 C PRO A 562 2.445 -7.305 -5.386 1.00 72.05 C ATOM 334 O PRO A 562 2.006 -6.444 -4.623 1.00 45.23 O ATOM 335 CB PRO A 562 2.340 -9.763 -4.888 1.00 1.34 C ATOM 336 CG PRO A 562 1.779 -9.850 -3.511 1.00 20.43 C ATOM 337 CD PRO A 562 2.840 -9.304 -2.595 1.00 53.20 C ATOM 0 HA PRO A 562 4.100 -8.579 -5.512 1.00 75.41 H new ATOM 0 HB2 PRO A 562 1.549 -9.680 -5.633 1.00 1.34 H new ATOM 0 HB3 PRO A 562 2.920 -10.652 -5.137 1.00 1.34 H new ATOM 0 HG2 PRO A 562 0.858 -9.273 -3.428 1.00 20.43 H new ATOM 0 HG3 PRO A 562 1.534 -10.881 -3.254 1.00 20.43 H new ATOM 0 HD2 PRO A 562 2.405 -8.794 -1.735 1.00 53.20 H new ATOM 0 HD3 PRO A 562 3.481 -10.095 -2.206 1.00 53.20 H new ATOM 345 N PRO A 563 2.267 -7.240 -6.714 1.00 44.44 N ATOM 346 CA PRO A 563 1.542 -6.143 -7.363 1.00 63.11 C ATOM 347 C PRO A 563 0.047 -6.183 -7.067 1.00 60.04 C ATOM 348 O PRO A 563 -0.560 -5.161 -6.743 1.00 61.43 O ATOM 349 CB PRO A 563 1.799 -6.380 -8.854 1.00 12.05 C ATOM 350 CG PRO A 563 2.072 -7.841 -8.963 1.00 44.52 C ATOM 351 CD PRO A 563 2.763 -8.230 -7.685 1.00 71.13 C ATOM 0 HA PRO A 563 1.876 -5.168 -7.009 1.00 63.11 H new ATOM 0 HB2 PRO A 563 0.936 -6.092 -9.455 1.00 12.05 H new ATOM 0 HB3 PRO A 563 2.645 -5.791 -9.208 1.00 12.05 H new ATOM 0 HG2 PRO A 563 1.147 -8.402 -9.093 1.00 44.52 H new ATOM 0 HG3 PRO A 563 2.700 -8.057 -9.827 1.00 44.52 H new ATOM 0 HD2 PRO A 563 2.511 -9.247 -7.386 1.00 71.13 H new ATOM 0 HD3 PRO A 563 3.848 -8.186 -7.785 1.00 71.13 H new ATOM 359 N HIS A 564 -0.543 -7.369 -7.182 1.00 3.40 N ATOM 360 CA HIS A 564 -1.969 -7.542 -6.926 1.00 1.32 C ATOM 361 C HIS A 564 -2.336 -7.029 -5.537 1.00 33.22 C ATOM 362 O HIS A 564 -3.481 -6.649 -5.287 1.00 31.25 O ATOM 363 CB HIS A 564 -2.357 -9.015 -7.058 1.00 43.53 C ATOM 364 CG HIS A 564 -2.188 -9.795 -5.791 1.00 61.31 C ATOM 365 ND1 HIS A 564 -1.007 -10.415 -5.440 1.00 43.45 N ATOM 366 CD2 HIS A 564 -3.058 -10.053 -4.787 1.00 75.11 C ATOM 367 CE1 HIS A 564 -1.159 -11.022 -4.277 1.00 42.14 C ATOM 368 NE2 HIS A 564 -2.395 -10.818 -3.859 1.00 4.42 N ATOM 0 H HIS A 564 -0.056 -8.224 -7.451 1.00 3.40 H new ATOM 0 HA HIS A 564 -2.520 -6.962 -7.666 1.00 1.32 H new ATOM 0 HB2 HIS A 564 -3.396 -9.081 -7.380 1.00 43.53 H new ATOM 0 HB3 HIS A 564 -1.752 -9.473 -7.840 1.00 43.53 H new ATOM 0 HD2 HIS A 564 -4.083 -9.719 -4.727 1.00 75.11 H new ATOM 0 HE1 HIS A 564 -0.401 -11.589 -3.756 1.00 42.14 H new ATOM 0 HE2 HIS A 564 -2.793 -11.171 -2.989 1.00 4.42 H new ATOM 377 N LEU A 565 -1.360 -7.022 -4.636 1.00 22.13 N ATOM 378 CA LEU A 565 -1.581 -6.557 -3.271 1.00 53.53 C ATOM 379 C LEU A 565 -1.460 -5.038 -3.187 1.00 21.25 C ATOM 380 O LEU A 565 -2.414 -4.348 -2.831 1.00 30.13 O ATOM 381 CB LEU A 565 -0.581 -7.214 -2.318 1.00 44.23 C ATOM 382 CG LEU A 565 -1.063 -8.477 -1.605 1.00 50.24 C ATOM 383 CD1 LEU A 565 0.033 -9.035 -0.710 1.00 42.05 C ATOM 384 CD2 LEU A 565 -2.319 -8.187 -0.796 1.00 42.41 C ATOM 0 H LEU A 565 -0.407 -7.333 -4.826 1.00 22.13 H new ATOM 0 HA LEU A 565 -2.592 -6.839 -2.977 1.00 53.53 H new ATOM 0 HB2 LEU A 565 0.319 -7.460 -2.881 1.00 44.23 H new ATOM 0 HB3 LEU A 565 -0.294 -6.482 -1.563 1.00 44.23 H new ATOM 0 HG LEU A 565 -1.306 -9.226 -2.358 1.00 50.24 H new ATOM 0 HD11 LEU A 565 -0.328 -9.934 -0.210 1.00 42.05 H new ATOM 0 HD12 LEU A 565 0.906 -9.281 -1.314 1.00 42.05 H new ATOM 0 HD13 LEU A 565 0.307 -8.290 0.037 1.00 42.05 H new ATOM 0 HD21 LEU A 565 -2.648 -9.098 -0.295 1.00 42.41 H new ATOM 0 HD22 LEU A 565 -2.103 -7.421 -0.051 1.00 42.41 H new ATOM 0 HD23 LEU A 565 -3.107 -7.834 -1.461 1.00 42.41 H new ATOM 396 N VAL A 566 -0.280 -4.526 -3.520 1.00 12.54 N ATOM 397 CA VAL A 566 -0.034 -3.088 -3.485 1.00 42.04 C ATOM 398 C VAL A 566 -1.091 -2.331 -4.281 1.00 44.52 C ATOM 399 O VAL A 566 -1.722 -1.407 -3.771 1.00 14.32 O ATOM 400 CB VAL A 566 1.360 -2.744 -4.044 1.00 54.40 C ATOM 401 CG1 VAL A 566 1.591 -1.241 -4.010 1.00 24.23 C ATOM 402 CG2 VAL A 566 2.441 -3.476 -3.265 1.00 72.33 C ATOM 0 H VAL A 566 0.520 -5.084 -3.817 1.00 12.54 H new ATOM 0 HA VAL A 566 -0.083 -2.783 -2.440 1.00 42.04 H new ATOM 0 HB VAL A 566 1.408 -3.072 -5.082 1.00 54.40 H new ATOM 0 HG11 VAL A 566 2.580 -1.016 -4.408 1.00 24.23 H new ATOM 0 HG12 VAL A 566 0.834 -0.743 -4.616 1.00 24.23 H new ATOM 0 HG13 VAL A 566 1.525 -0.886 -2.982 1.00 24.23 H new ATOM 0 HG21 VAL A 566 3.419 -3.222 -3.673 1.00 72.33 H new ATOM 0 HG22 VAL A 566 2.397 -3.181 -2.217 1.00 72.33 H new ATOM 0 HG23 VAL A 566 2.283 -4.551 -3.346 1.00 72.33 H new ATOM 412 N GLU A 567 -1.277 -2.730 -5.536 1.00 51.42 N ATOM 413 CA GLU A 567 -2.257 -2.087 -6.404 1.00 13.14 C ATOM 414 C GLU A 567 -3.624 -2.026 -5.727 1.00 20.11 C ATOM 415 O GLU A 567 -4.415 -1.118 -5.983 1.00 61.35 O ATOM 416 CB GLU A 567 -2.367 -2.838 -7.732 1.00 21.52 C ATOM 417 CG GLU A 567 -1.185 -2.611 -8.658 1.00 42.14 C ATOM 418 CD GLU A 567 -1.503 -2.944 -10.103 1.00 13.11 C ATOM 419 OE1 GLU A 567 -2.098 -4.015 -10.347 1.00 0.42 O ATOM 420 OE2 GLU A 567 -1.158 -2.135 -10.990 1.00 24.44 O ATOM 0 H GLU A 567 -0.763 -3.494 -5.974 1.00 51.42 H new ATOM 0 HA GLU A 567 -1.920 -1.069 -6.598 1.00 13.14 H new ATOM 0 HB2 GLU A 567 -2.460 -3.905 -7.530 1.00 21.52 H new ATOM 0 HB3 GLU A 567 -3.281 -2.529 -8.240 1.00 21.52 H new ATOM 0 HG2 GLU A 567 -0.870 -1.570 -8.590 1.00 42.14 H new ATOM 0 HG3 GLU A 567 -0.345 -3.221 -8.325 1.00 42.14 H new ATOM 428 N ALA A 568 -3.894 -2.999 -4.863 1.00 73.12 N ATOM 429 CA ALA A 568 -5.164 -3.056 -4.149 1.00 12.31 C ATOM 430 C ALA A 568 -5.141 -2.160 -2.915 1.00 5.11 C ATOM 431 O ALA A 568 -5.956 -1.248 -2.781 1.00 45.13 O ATOM 432 CB ALA A 568 -5.486 -4.490 -3.757 1.00 43.22 C ATOM 0 H ALA A 568 -3.250 -3.758 -4.640 1.00 73.12 H new ATOM 0 HA ALA A 568 -5.944 -2.690 -4.817 1.00 12.31 H new ATOM 0 HB1 ALA A 568 -6.437 -4.517 -3.225 1.00 43.22 H new ATOM 0 HB2 ALA A 568 -5.555 -5.106 -4.654 1.00 43.22 H new ATOM 0 HB3 ALA A 568 -4.698 -4.876 -3.111 1.00 43.22 H new ATOM 438 N VAL A 569 -4.201 -2.428 -2.014 1.00 25.35 N ATOM 439 CA VAL A 569 -4.071 -1.646 -0.790 1.00 2.01 C ATOM 440 C VAL A 569 -3.983 -0.156 -1.096 1.00 53.22 C ATOM 441 O VAL A 569 -4.556 0.669 -0.385 1.00 44.12 O ATOM 442 CB VAL A 569 -2.827 -2.067 0.016 1.00 32.31 C ATOM 443 CG1 VAL A 569 -2.788 -1.346 1.355 1.00 64.45 C ATOM 444 CG2 VAL A 569 -2.806 -3.576 0.213 1.00 44.40 C ATOM 0 H VAL A 569 -3.519 -3.180 -2.109 1.00 25.35 H new ATOM 0 HA VAL A 569 -4.964 -1.840 -0.195 1.00 2.01 H new ATOM 0 HB VAL A 569 -1.938 -1.784 -0.547 1.00 32.31 H new ATOM 0 HG11 VAL A 569 -1.903 -1.656 1.910 1.00 64.45 H new ATOM 0 HG12 VAL A 569 -2.753 -0.269 1.188 1.00 64.45 H new ATOM 0 HG13 VAL A 569 -3.681 -1.595 1.928 1.00 64.45 H new ATOM 0 HG21 VAL A 569 -1.921 -3.856 0.784 1.00 44.40 H new ATOM 0 HG22 VAL A 569 -3.700 -3.885 0.755 1.00 44.40 H new ATOM 0 HG23 VAL A 569 -2.782 -4.069 -0.759 1.00 44.40 H new ATOM 454 N MET A 570 -3.262 0.182 -2.161 1.00 12.24 N ATOM 455 CA MET A 570 -3.102 1.575 -2.562 1.00 65.03 C ATOM 456 C MET A 570 -4.457 2.235 -2.791 1.00 13.33 C ATOM 457 O MET A 570 -4.597 3.451 -2.656 1.00 11.11 O ATOM 458 CB MET A 570 -2.256 1.666 -3.835 1.00 11.22 C ATOM 459 CG MET A 570 -0.761 1.557 -3.579 1.00 42.02 C ATOM 460 SD MET A 570 0.220 2.428 -4.817 1.00 53.21 S ATOM 461 CE MET A 570 1.711 2.770 -3.887 1.00 44.44 C ATOM 0 H MET A 570 -2.780 -0.488 -2.760 1.00 12.24 H new ATOM 0 HA MET A 570 -2.593 2.103 -1.756 1.00 65.03 H new ATOM 0 HB2 MET A 570 -2.558 0.874 -4.520 1.00 11.22 H new ATOM 0 HB3 MET A 570 -2.463 2.613 -4.333 1.00 11.22 H new ATOM 0 HG2 MET A 570 -0.535 1.960 -2.592 1.00 42.02 H new ATOM 0 HG3 MET A 570 -0.474 0.506 -3.567 1.00 42.02 H new ATOM 0 HE1 MET A 570 1.777 3.839 -3.685 1.00 44.44 H new ATOM 0 HE2 MET A 570 1.685 2.224 -2.944 1.00 44.44 H new ATOM 0 HE3 MET A 570 2.580 2.456 -4.465 1.00 44.44 H new ATOM 471 N ARG A 571 -5.453 1.426 -3.138 1.00 53.42 N ATOM 472 CA ARG A 571 -6.797 1.933 -3.387 1.00 10.21 C ATOM 473 C ARG A 571 -7.472 2.346 -2.083 1.00 72.23 C ATOM 474 O ARG A 571 -8.420 3.133 -2.084 1.00 42.31 O ATOM 475 CB ARG A 571 -7.641 0.873 -4.098 1.00 1.43 C ATOM 476 CG ARG A 571 -8.790 1.452 -4.908 1.00 11.13 C ATOM 477 CD ARG A 571 -10.047 1.600 -4.064 1.00 2.33 C ATOM 478 NE ARG A 571 -11.262 1.415 -4.854 1.00 44.33 N ATOM 479 CZ ARG A 571 -12.486 1.574 -4.366 1.00 54.53 C ATOM 480 NH1 ARG A 571 -12.659 1.922 -3.099 1.00 13.14 N ATOM 481 NH2 ARG A 571 -13.543 1.388 -5.148 1.00 45.21 N ATOM 0 H ARG A 571 -5.354 0.417 -3.253 1.00 53.42 H new ATOM 0 HA ARG A 571 -6.715 2.811 -4.027 1.00 10.21 H new ATOM 0 HB2 ARG A 571 -6.998 0.292 -4.759 1.00 1.43 H new ATOM 0 HB3 ARG A 571 -8.042 0.183 -3.356 1.00 1.43 H new ATOM 0 HG2 ARG A 571 -8.502 2.424 -5.307 1.00 11.13 H new ATOM 0 HG3 ARG A 571 -8.997 0.806 -5.761 1.00 11.13 H new ATOM 0 HD2 ARG A 571 -10.027 0.871 -3.253 1.00 2.33 H new ATOM 0 HD3 ARG A 571 -10.061 2.588 -3.604 1.00 2.33 H new ATOM 0 HE ARG A 571 -11.164 1.149 -5.834 1.00 44.33 H new ATOM 0 HH11 ARG A 571 -11.850 2.069 -2.495 1.00 13.14 H new ATOM 0 HH12 ARG A 571 -13.601 2.043 -2.728 1.00 13.14 H new ATOM 0 HH21 ARG A 571 -13.415 1.123 -6.124 1.00 45.21 H new ATOM 0 HH22 ARG A 571 -14.483 1.510 -4.772 1.00 45.21 H new ATOM 495 N ARG A 572 -6.980 1.809 -0.972 1.00 2.23 N ATOM 496 CA ARG A 572 -7.536 2.120 0.340 1.00 53.51 C ATOM 497 C ARG A 572 -6.862 3.352 0.938 1.00 34.41 C ATOM 498 O ARG A 572 -7.518 4.196 1.549 1.00 32.13 O ATOM 499 CB ARG A 572 -7.373 0.928 1.283 1.00 35.40 C ATOM 500 CG ARG A 572 -8.110 1.089 2.602 1.00 35.53 C ATOM 501 CD ARG A 572 -7.969 -0.149 3.474 1.00 60.33 C ATOM 502 NE ARG A 572 -8.170 0.153 4.889 1.00 63.32 N ATOM 503 CZ ARG A 572 -8.457 -0.768 5.803 1.00 21.21 C ATOM 504 NH1 ARG A 572 -8.576 -2.041 5.452 1.00 3.31 N ATOM 505 NH2 ARG A 572 -8.624 -0.415 7.071 1.00 53.22 N ATOM 0 H ARG A 572 -6.197 1.156 -0.954 1.00 2.23 H new ATOM 0 HA ARG A 572 -8.598 2.332 0.215 1.00 53.51 H new ATOM 0 HB2 ARG A 572 -7.733 0.029 0.783 1.00 35.40 H new ATOM 0 HB3 ARG A 572 -6.312 0.778 1.485 1.00 35.40 H new ATOM 0 HG2 ARG A 572 -7.720 1.957 3.134 1.00 35.53 H new ATOM 0 HG3 ARG A 572 -9.165 1.281 2.409 1.00 35.53 H new ATOM 0 HD2 ARG A 572 -8.693 -0.900 3.157 1.00 60.33 H new ATOM 0 HD3 ARG A 572 -6.978 -0.581 3.333 1.00 60.33 H new ATOM 0 HE ARG A 572 -8.085 1.123 5.192 1.00 63.32 H new ATOM 0 HH11 ARG A 572 -8.447 -2.316 4.478 1.00 3.31 H new ATOM 0 HH12 ARG A 572 -8.796 -2.746 6.156 1.00 3.31 H new ATOM 0 HH21 ARG A 572 -8.532 0.563 7.344 1.00 53.22 H new ATOM 0 HH22 ARG A 572 -8.844 -1.122 7.772 1.00 53.22 H new ATOM 519 N PHE A 573 -5.549 3.447 0.759 1.00 31.23 N ATOM 520 CA PHE A 573 -4.785 4.573 1.283 1.00 54.11 C ATOM 521 C PHE A 573 -4.211 5.416 0.147 1.00 63.23 C ATOM 522 O PHE A 573 -3.010 5.402 -0.123 1.00 63.52 O ATOM 523 CB PHE A 573 -3.655 4.075 2.186 1.00 54.10 C ATOM 524 CG PHE A 573 -4.138 3.302 3.380 1.00 40.54 C ATOM 525 CD1 PHE A 573 -4.519 1.976 3.256 1.00 41.24 C ATOM 526 CD2 PHE A 573 -4.211 3.903 4.627 1.00 64.51 C ATOM 527 CE1 PHE A 573 -4.965 1.264 4.352 1.00 24.50 C ATOM 528 CE2 PHE A 573 -4.655 3.195 5.727 1.00 31.30 C ATOM 529 CZ PHE A 573 -5.032 1.873 5.590 1.00 50.11 C ATOM 0 H PHE A 573 -4.992 2.758 0.255 1.00 31.23 H new ATOM 0 HA PHE A 573 -5.460 5.196 1.869 1.00 54.11 H new ATOM 0 HB2 PHE A 573 -2.985 3.444 1.602 1.00 54.10 H new ATOM 0 HB3 PHE A 573 -3.071 4.929 2.528 1.00 54.10 H new ATOM 0 HD1 PHE A 573 -4.467 1.493 2.291 1.00 41.24 H new ATOM 0 HD2 PHE A 573 -3.918 4.936 4.740 1.00 64.51 H new ATOM 0 HE1 PHE A 573 -5.261 0.231 4.241 1.00 24.50 H new ATOM 0 HE2 PHE A 573 -4.707 3.675 6.693 1.00 31.30 H new ATOM 0 HZ PHE A 573 -5.378 1.317 6.449 1.00 50.11 H new ATOM 539 N PRO A 574 -5.089 6.166 -0.534 1.00 42.43 N ATOM 540 CA PRO A 574 -4.692 7.029 -1.651 1.00 53.55 C ATOM 541 C PRO A 574 -3.870 8.229 -1.194 1.00 52.41 C ATOM 542 O PRO A 574 -3.287 8.941 -2.012 1.00 32.40 O ATOM 543 CB PRO A 574 -6.030 7.489 -2.237 1.00 32.12 C ATOM 544 CG PRO A 574 -6.991 7.396 -1.103 1.00 1.15 C ATOM 545 CD PRO A 574 -6.535 6.233 -0.266 1.00 72.34 C ATOM 0 HA PRO A 574 -4.056 6.505 -2.364 1.00 53.55 H new ATOM 0 HB2 PRO A 574 -5.966 8.508 -2.619 1.00 32.12 H new ATOM 0 HB3 PRO A 574 -6.337 6.855 -3.069 1.00 32.12 H new ATOM 0 HG2 PRO A 574 -6.997 8.317 -0.520 1.00 1.15 H new ATOM 0 HG3 PRO A 574 -8.007 7.241 -1.465 1.00 1.15 H new ATOM 0 HD2 PRO A 574 -6.740 6.395 0.792 1.00 72.34 H new ATOM 0 HD3 PRO A 574 -7.040 5.310 -0.551 1.00 72.34 H new ATOM 553 N GLN A 575 -3.829 8.448 0.117 1.00 54.44 N ATOM 554 CA GLN A 575 -3.079 9.563 0.681 1.00 2.51 C ATOM 555 C GLN A 575 -1.893 9.062 1.499 1.00 43.54 C ATOM 556 O GLN A 575 -0.992 9.831 1.840 1.00 34.24 O ATOM 557 CB GLN A 575 -3.989 10.427 1.556 1.00 1.14 C ATOM 558 CG GLN A 575 -4.327 9.791 2.895 1.00 30.42 C ATOM 559 CD GLN A 575 -5.244 10.655 3.737 1.00 11.44 C ATOM 560 OE1 GLN A 575 -4.785 11.498 4.508 1.00 2.44 O ATOM 561 NE2 GLN A 575 -6.548 10.451 3.593 1.00 32.34 N ATOM 0 H GLN A 575 -4.306 7.868 0.807 1.00 54.44 H new ATOM 0 HA GLN A 575 -2.700 10.167 -0.143 1.00 2.51 H new ATOM 0 HB2 GLN A 575 -3.505 11.388 1.731 1.00 1.14 H new ATOM 0 HB3 GLN A 575 -4.914 10.629 1.015 1.00 1.14 H new ATOM 0 HG2 GLN A 575 -4.801 8.824 2.724 1.00 30.42 H new ATOM 0 HG3 GLN A 575 -3.406 9.602 3.446 1.00 30.42 H new ATOM 0 HE21 GLN A 575 -6.884 9.741 2.942 1.00 32.34 H new ATOM 0 HE22 GLN A 575 -7.213 11.004 4.133 1.00 32.34 H new ATOM 570 N LEU A 576 -1.898 7.771 1.809 1.00 11.20 N ATOM 571 CA LEU A 576 -0.822 7.167 2.588 1.00 54.23 C ATOM 572 C LEU A 576 -0.155 6.038 1.809 1.00 72.40 C ATOM 573 O LEU A 576 -0.759 4.990 1.574 1.00 51.25 O ATOM 574 CB LEU A 576 -1.363 6.636 3.916 1.00 31.01 C ATOM 575 CG LEU A 576 -0.804 7.292 5.179 1.00 71.22 C ATOM 576 CD1 LEU A 576 -1.311 6.577 6.422 1.00 75.12 C ATOM 577 CD2 LEU A 576 0.717 7.298 5.149 1.00 70.25 C ATOM 0 H LEU A 576 -2.635 7.122 1.533 1.00 11.20 H new ATOM 0 HA LEU A 576 -0.076 7.936 2.789 1.00 54.23 H new ATOM 0 HB2 LEU A 576 -2.446 6.756 3.918 1.00 31.01 H new ATOM 0 HB3 LEU A 576 -1.160 5.566 3.966 1.00 31.01 H new ATOM 0 HG LEU A 576 -1.151 8.325 5.212 1.00 71.22 H new ATOM 0 HD11 LEU A 576 -0.902 7.058 7.311 1.00 75.12 H new ATOM 0 HD12 LEU A 576 -2.400 6.625 6.451 1.00 75.12 H new ATOM 0 HD13 LEU A 576 -0.995 5.534 6.396 1.00 75.12 H new ATOM 0 HD21 LEU A 576 1.097 7.769 6.056 1.00 70.25 H new ATOM 0 HD22 LEU A 576 1.084 6.273 5.091 1.00 70.25 H new ATOM 0 HD23 LEU A 576 1.062 7.856 4.279 1.00 70.25 H new ATOM 589 N LEU A 577 1.094 6.256 1.414 1.00 22.34 N ATOM 590 CA LEU A 577 1.846 5.255 0.664 1.00 12.00 C ATOM 591 C LEU A 577 3.215 5.017 1.293 1.00 11.13 C ATOM 592 O LEU A 577 4.163 5.760 1.040 1.00 23.11 O ATOM 593 CB LEU A 577 2.011 5.699 -0.791 1.00 62.43 C ATOM 594 CG LEU A 577 0.752 5.641 -1.657 1.00 54.11 C ATOM 595 CD1 LEU A 577 0.103 4.269 -1.566 1.00 44.13 C ATOM 596 CD2 LEU A 577 -0.230 6.727 -1.241 1.00 33.41 C ATOM 0 H LEU A 577 1.608 7.117 1.600 1.00 22.34 H new ATOM 0 HA LEU A 577 1.287 4.320 0.692 1.00 12.00 H new ATOM 0 HB2 LEU A 577 2.385 6.723 -0.797 1.00 62.43 H new ATOM 0 HB3 LEU A 577 2.776 5.077 -1.255 1.00 62.43 H new ATOM 0 HG LEU A 577 1.039 5.815 -2.694 1.00 54.11 H new ATOM 0 HD11 LEU A 577 -0.791 4.247 -2.189 1.00 44.13 H new ATOM 0 HD12 LEU A 577 0.805 3.511 -1.913 1.00 44.13 H new ATOM 0 HD13 LEU A 577 -0.171 4.064 -0.531 1.00 44.13 H new ATOM 0 HD21 LEU A 577 -1.120 6.672 -1.867 1.00 33.41 H new ATOM 0 HD22 LEU A 577 -0.511 6.583 -0.198 1.00 33.41 H new ATOM 0 HD23 LEU A 577 0.237 7.705 -1.360 1.00 33.41 H new ATOM 608 N ASP A 578 3.310 3.976 2.113 1.00 72.04 N ATOM 609 CA ASP A 578 4.564 3.638 2.776 1.00 10.02 C ATOM 610 C ASP A 578 4.912 2.168 2.562 1.00 22.24 C ATOM 611 O ASP A 578 4.039 1.315 2.402 1.00 70.11 O ATOM 612 CB ASP A 578 4.472 3.941 4.272 1.00 15.20 C ATOM 613 CG ASP A 578 5.074 5.286 4.629 1.00 54.14 C ATOM 614 OD1 ASP A 578 4.800 6.269 3.908 1.00 70.44 O ATOM 615 OD2 ASP A 578 5.818 5.357 5.628 1.00 21.32 O ATOM 0 H ASP A 578 2.534 3.352 2.334 1.00 72.04 H new ATOM 0 HA ASP A 578 5.354 4.247 2.338 1.00 10.02 H new ATOM 0 HB2 ASP A 578 3.427 3.921 4.580 1.00 15.20 H new ATOM 0 HB3 ASP A 578 4.984 3.157 4.831 1.00 15.20 H new ATOM 621 N PRO A 579 6.218 1.863 2.560 1.00 43.00 N ATOM 622 CA PRO A 579 6.712 0.496 2.367 1.00 54.04 C ATOM 623 C PRO A 579 6.403 -0.405 3.558 1.00 45.10 C ATOM 624 O PRO A 579 5.941 -1.533 3.389 1.00 34.04 O ATOM 625 CB PRO A 579 8.223 0.683 2.214 1.00 1.31 C ATOM 626 CG PRO A 579 8.521 1.954 2.932 1.00 25.41 C ATOM 627 CD PRO A 579 7.314 2.829 2.746 1.00 74.31 C ATOM 0 HA PRO A 579 6.241 0.009 1.513 1.00 54.04 H new ATOM 0 HB2 PRO A 579 8.771 -0.154 2.646 1.00 1.31 H new ATOM 0 HB3 PRO A 579 8.510 0.744 1.164 1.00 1.31 H new ATOM 0 HG2 PRO A 579 8.710 1.769 3.990 1.00 25.41 H new ATOM 0 HG3 PRO A 579 9.414 2.430 2.527 1.00 25.41 H new ATOM 0 HD2 PRO A 579 7.144 3.468 3.612 1.00 74.31 H new ATOM 0 HD3 PRO A 579 7.422 3.485 1.882 1.00 74.31 H new ATOM 635 N GLN A 580 6.663 0.100 4.759 1.00 51.50 N ATOM 636 CA GLN A 580 6.413 -0.661 5.978 1.00 40.42 C ATOM 637 C GLN A 580 4.939 -0.601 6.364 1.00 61.10 C ATOM 638 O GLN A 580 4.311 -1.630 6.610 1.00 71.23 O ATOM 639 CB GLN A 580 7.275 -0.126 7.123 1.00 72.14 C ATOM 640 CG GLN A 580 8.730 -0.558 7.042 1.00 52.34 C ATOM 641 CD GLN A 580 9.692 0.565 7.380 1.00 54.41 C ATOM 642 OE1 GLN A 580 10.562 0.415 8.237 1.00 21.11 O ATOM 643 NE2 GLN A 580 9.538 1.699 6.705 1.00 3.12 N ATOM 0 H GLN A 580 7.046 1.032 4.915 1.00 51.50 H new ATOM 0 HA GLN A 580 6.678 -1.701 5.789 1.00 40.42 H new ATOM 0 HB2 GLN A 580 7.227 0.963 7.124 1.00 72.14 H new ATOM 0 HB3 GLN A 580 6.856 -0.464 8.071 1.00 72.14 H new ATOM 0 HG2 GLN A 580 8.896 -1.391 7.725 1.00 52.34 H new ATOM 0 HG3 GLN A 580 8.942 -0.922 6.037 1.00 52.34 H new ATOM 0 HE21 GLN A 580 8.803 1.779 6.003 1.00 3.12 H new ATOM 0 HE22 GLN A 580 10.155 2.490 6.889 1.00 3.12 H new ATOM 652 N GLN A 581 4.394 0.610 6.416 1.00 11.23 N ATOM 653 CA GLN A 581 2.994 0.803 6.773 1.00 21.23 C ATOM 654 C GLN A 581 2.092 -0.117 5.958 1.00 30.31 C ATOM 655 O GLN A 581 1.249 -0.827 6.509 1.00 51.11 O ATOM 656 CB GLN A 581 2.586 2.261 6.555 1.00 4.15 C ATOM 657 CG GLN A 581 1.854 2.871 7.740 1.00 11.30 C ATOM 658 CD GLN A 581 1.734 4.380 7.637 1.00 32.54 C ATOM 659 OE1 GLN A 581 0.645 4.938 7.777 1.00 75.45 O ATOM 660 NE2 GLN A 581 2.854 5.049 7.392 1.00 61.30 N ATOM 0 H GLN A 581 4.901 1.472 6.215 1.00 11.23 H new ATOM 0 HA GLN A 581 2.877 0.554 7.828 1.00 21.23 H new ATOM 0 HB2 GLN A 581 3.478 2.852 6.346 1.00 4.15 H new ATOM 0 HB3 GLN A 581 1.948 2.323 5.673 1.00 4.15 H new ATOM 0 HG2 GLN A 581 0.858 2.435 7.811 1.00 11.30 H new ATOM 0 HG3 GLN A 581 2.380 2.614 8.659 1.00 11.30 H new ATOM 0 HE21 GLN A 581 3.735 4.546 7.283 1.00 61.30 H new ATOM 0 HE22 GLN A 581 2.834 6.066 7.313 1.00 61.30 H new ATOM 669 N LEU A 582 2.274 -0.100 4.642 1.00 60.03 N ATOM 670 CA LEU A 582 1.476 -0.933 3.748 1.00 34.25 C ATOM 671 C LEU A 582 1.501 -2.391 4.196 1.00 33.14 C ATOM 672 O LEU A 582 0.527 -3.122 4.019 1.00 33.20 O ATOM 673 CB LEU A 582 1.995 -0.820 2.314 1.00 15.53 C ATOM 674 CG LEU A 582 1.474 0.368 1.504 1.00 41.11 C ATOM 675 CD1 LEU A 582 2.106 0.390 0.122 1.00 71.53 C ATOM 676 CD2 LEU A 582 -0.044 0.317 1.398 1.00 24.24 C ATOM 0 H LEU A 582 2.967 0.481 4.170 1.00 60.03 H new ATOM 0 HA LEU A 582 0.446 -0.578 3.784 1.00 34.25 H new ATOM 0 HB2 LEU A 582 3.083 -0.763 2.346 1.00 15.53 H new ATOM 0 HB3 LEU A 582 1.739 -1.737 1.783 1.00 15.53 H new ATOM 0 HG LEU A 582 1.751 1.286 2.022 1.00 41.11 H new ATOM 0 HD11 LEU A 582 1.723 1.242 -0.440 1.00 71.53 H new ATOM 0 HD12 LEU A 582 3.188 0.475 0.218 1.00 71.53 H new ATOM 0 HD13 LEU A 582 1.860 -0.532 -0.405 1.00 71.53 H new ATOM 0 HD21 LEU A 582 -0.397 1.170 0.818 1.00 24.24 H new ATOM 0 HD22 LEU A 582 -0.343 -0.607 0.903 1.00 24.24 H new ATOM 0 HD23 LEU A 582 -0.480 0.351 2.396 1.00 24.24 H new ATOM 688 N ALA A 583 2.621 -2.807 4.780 1.00 54.52 N ATOM 689 CA ALA A 583 2.771 -4.176 5.258 1.00 41.45 C ATOM 690 C ALA A 583 1.739 -4.498 6.333 1.00 61.05 C ATOM 691 O ALA A 583 1.091 -5.544 6.291 1.00 74.05 O ATOM 692 CB ALA A 583 4.178 -4.397 5.791 1.00 3.52 C ATOM 0 H ALA A 583 3.437 -2.215 4.933 1.00 54.52 H new ATOM 0 HA ALA A 583 2.603 -4.849 4.417 1.00 41.45 H new ATOM 0 HB1 ALA A 583 4.276 -5.423 6.145 1.00 3.52 H new ATOM 0 HB2 ALA A 583 4.901 -4.217 4.995 1.00 3.52 H new ATOM 0 HB3 ALA A 583 4.367 -3.710 6.616 1.00 3.52 H new ATOM 698 N ALA A 584 1.592 -3.594 7.295 1.00 13.04 N ATOM 699 CA ALA A 584 0.638 -3.782 8.381 1.00 21.50 C ATOM 700 C ALA A 584 -0.785 -3.903 7.847 1.00 41.42 C ATOM 701 O ALA A 584 -1.590 -4.675 8.367 1.00 40.41 O ATOM 702 CB ALA A 584 0.735 -2.635 9.376 1.00 64.55 C ATOM 0 H ALA A 584 2.121 -2.724 7.345 1.00 13.04 H new ATOM 0 HA ALA A 584 0.887 -4.712 8.892 1.00 21.50 H new ATOM 0 HB1 ALA A 584 0.016 -2.790 10.181 1.00 64.55 H new ATOM 0 HB2 ALA A 584 1.742 -2.597 9.791 1.00 64.55 H new ATOM 0 HB3 ALA A 584 0.516 -1.695 8.870 1.00 64.55 H new ATOM 708 N GLU A 585 -1.088 -3.132 6.806 1.00 74.32 N ATOM 709 CA GLU A 585 -2.416 -3.152 6.203 1.00 12.14 C ATOM 710 C GLU A 585 -2.664 -4.470 5.477 1.00 60.42 C ATOM 711 O GLU A 585 -3.686 -5.124 5.687 1.00 31.32 O ATOM 712 CB GLU A 585 -2.575 -1.982 5.229 1.00 21.30 C ATOM 713 CG GLU A 585 -2.343 -0.624 5.867 1.00 14.20 C ATOM 714 CD GLU A 585 -1.784 0.392 4.891 1.00 74.24 C ATOM 715 OE1 GLU A 585 -1.944 0.189 3.668 1.00 21.41 O ATOM 716 OE2 GLU A 585 -1.189 1.390 5.347 1.00 61.02 O ATOM 0 H GLU A 585 -0.433 -2.487 6.364 1.00 74.32 H new ATOM 0 HA GLU A 585 -3.152 -3.054 7.001 1.00 12.14 H new ATOM 0 HB2 GLU A 585 -1.876 -2.110 4.403 1.00 21.30 H new ATOM 0 HB3 GLU A 585 -3.578 -2.008 4.804 1.00 21.30 H new ATOM 0 HG2 GLU A 585 -3.284 -0.252 6.273 1.00 14.20 H new ATOM 0 HG3 GLU A 585 -1.655 -0.734 6.705 1.00 14.20 H new ATOM 724 N ILE A 586 -1.722 -4.854 4.621 1.00 21.32 N ATOM 725 CA ILE A 586 -1.838 -6.094 3.863 1.00 31.12 C ATOM 726 C ILE A 586 -2.008 -7.292 4.792 1.00 14.33 C ATOM 727 O ILE A 586 -2.831 -8.175 4.541 1.00 42.41 O ATOM 728 CB ILE A 586 -0.606 -6.325 2.969 1.00 50.11 C ATOM 729 CG1 ILE A 586 -0.441 -5.167 1.983 1.00 53.03 C ATOM 730 CG2 ILE A 586 -0.730 -7.647 2.226 1.00 4.25 C ATOM 731 CD1 ILE A 586 0.977 -4.992 1.487 1.00 75.24 C ATOM 0 H ILE A 586 -0.870 -4.324 4.435 1.00 21.32 H new ATOM 0 HA ILE A 586 -2.722 -5.996 3.232 1.00 31.12 H new ATOM 0 HB ILE A 586 0.281 -6.369 3.602 1.00 50.11 H new ATOM 0 HG12 ILE A 586 -1.098 -5.331 1.129 1.00 53.03 H new ATOM 0 HG13 ILE A 586 -0.766 -4.244 2.462 1.00 53.03 H new ATOM 0 HG21 ILE A 586 0.149 -7.795 1.598 1.00 4.25 H new ATOM 0 HG22 ILE A 586 -0.804 -8.463 2.945 1.00 4.25 H new ATOM 0 HG23 ILE A 586 -1.623 -7.631 1.602 1.00 4.25 H new ATOM 0 HD11 ILE A 586 1.019 -4.153 0.792 1.00 75.24 H new ATOM 0 HD12 ILE A 586 1.637 -4.796 2.332 1.00 75.24 H new ATOM 0 HD13 ILE A 586 1.299 -5.901 0.978 1.00 75.24 H new ATOM 743 N LEU A 587 -1.229 -7.315 5.867 1.00 62.40 N ATOM 744 CA LEU A 587 -1.295 -8.404 6.836 1.00 2.51 C ATOM 745 C LEU A 587 -2.712 -8.568 7.375 1.00 33.35 C ATOM 746 O LEU A 587 -3.205 -9.686 7.523 1.00 22.22 O ATOM 747 CB LEU A 587 -0.324 -8.145 7.991 1.00 41.32 C ATOM 748 CG LEU A 587 1.067 -8.764 7.849 1.00 15.13 C ATOM 749 CD1 LEU A 587 2.028 -8.151 8.857 1.00 23.51 C ATOM 750 CD2 LEU A 587 0.999 -10.274 8.024 1.00 25.21 C ATOM 0 H LEU A 587 -0.544 -6.593 6.090 1.00 62.40 H new ATOM 0 HA LEU A 587 -1.010 -9.326 6.329 1.00 2.51 H new ATOM 0 HB2 LEU A 587 -0.210 -7.067 8.109 1.00 41.32 H new ATOM 0 HB3 LEU A 587 -0.775 -8.520 8.910 1.00 41.32 H new ATOM 0 HG LEU A 587 1.439 -8.551 6.847 1.00 15.13 H new ATOM 0 HD11 LEU A 587 3.013 -8.603 8.742 1.00 23.51 H new ATOM 0 HD12 LEU A 587 2.099 -7.077 8.685 1.00 23.51 H new ATOM 0 HD13 LEU A 587 1.661 -8.333 9.867 1.00 23.51 H new ATOM 0 HD21 LEU A 587 1.998 -10.698 7.920 1.00 25.21 H new ATOM 0 HD22 LEU A 587 0.607 -10.508 9.014 1.00 25.21 H new ATOM 0 HD23 LEU A 587 0.343 -10.699 7.264 1.00 25.21 H new ATOM 762 N SER A 588 -3.363 -7.446 7.666 1.00 62.50 N ATOM 763 CA SER A 588 -4.723 -7.466 8.190 1.00 0.42 C ATOM 764 C SER A 588 -5.733 -7.710 7.073 1.00 51.30 C ATOM 765 O SER A 588 -6.809 -8.261 7.302 1.00 22.54 O ATOM 766 CB SER A 588 -5.039 -6.147 8.899 1.00 44.24 C ATOM 767 OG SER A 588 -6.436 -5.916 8.948 1.00 5.05 O ATOM 0 H SER A 588 -2.970 -6.512 7.548 1.00 62.50 H new ATOM 0 HA SER A 588 -4.797 -8.283 8.908 1.00 0.42 H new ATOM 0 HB2 SER A 588 -4.635 -6.169 9.911 1.00 44.24 H new ATOM 0 HB3 SER A 588 -4.549 -5.324 8.378 1.00 44.24 H new ATOM 0 HG SER A 588 -6.611 -5.068 9.407 1.00 5.05 H new ATOM 773 N TYR A 589 -5.377 -7.295 5.862 1.00 74.13 N ATOM 774 CA TYR A 589 -6.252 -7.466 4.708 1.00 5.32 C ATOM 775 C TYR A 589 -6.334 -8.933 4.299 1.00 52.21 C ATOM 776 O TYR A 589 -7.361 -9.395 3.799 1.00 43.52 O ATOM 777 CB TYR A 589 -5.750 -6.624 3.533 1.00 71.12 C ATOM 778 CG TYR A 589 -6.492 -6.885 2.241 1.00 21.10 C ATOM 779 CD1 TYR A 589 -7.833 -6.546 2.108 1.00 71.32 C ATOM 780 CD2 TYR A 589 -5.853 -7.470 1.156 1.00 72.43 C ATOM 781 CE1 TYR A 589 -8.516 -6.783 0.930 1.00 1.52 C ATOM 782 CE2 TYR A 589 -6.528 -7.709 -0.026 1.00 43.13 C ATOM 783 CZ TYR A 589 -7.859 -7.364 -0.134 1.00 52.11 C ATOM 784 OH TYR A 589 -8.534 -7.602 -1.309 1.00 62.04 O ATOM 0 H TYR A 589 -4.489 -6.838 5.654 1.00 74.13 H new ATOM 0 HA TYR A 589 -7.250 -7.130 4.987 1.00 5.32 H new ATOM 0 HB2 TYR A 589 -5.842 -5.568 3.788 1.00 71.12 H new ATOM 0 HB3 TYR A 589 -4.690 -6.824 3.380 1.00 71.12 H new ATOM 0 HD1 TYR A 589 -8.350 -6.090 2.939 1.00 71.32 H new ATOM 0 HD2 TYR A 589 -4.811 -7.743 1.237 1.00 72.43 H new ATOM 0 HE1 TYR A 589 -9.559 -6.515 0.843 1.00 1.52 H new ATOM 0 HE2 TYR A 589 -6.016 -8.164 -0.861 1.00 43.13 H new ATOM 0 HH TYR A 589 -7.926 -8.015 -1.957 1.00 62.04 H new ATOM 794 N LYS A 590 -5.245 -9.662 4.516 1.00 33.22 N ATOM 795 CA LYS A 590 -5.192 -11.078 4.173 1.00 20.33 C ATOM 796 C LYS A 590 -6.087 -11.896 5.099 1.00 71.51 C ATOM 797 O LYS A 590 -6.963 -12.631 4.643 1.00 52.23 O ATOM 798 CB LYS A 590 -3.752 -11.590 4.255 1.00 73.11 C ATOM 799 CG LYS A 590 -3.465 -12.751 3.318 1.00 3.53 C ATOM 800 CD LYS A 590 -3.473 -12.309 1.864 1.00 5.21 C ATOM 801 CE LYS A 590 -2.556 -13.176 1.014 1.00 52.25 C ATOM 802 NZ LYS A 590 -2.969 -14.606 1.034 1.00 52.51 N ATOM 0 H LYS A 590 -4.387 -9.296 4.928 1.00 33.22 H new ATOM 0 HA LYS A 590 -5.554 -11.193 3.151 1.00 20.33 H new ATOM 0 HB2 LYS A 590 -3.070 -10.771 4.025 1.00 73.11 H new ATOM 0 HB3 LYS A 590 -3.543 -11.900 5.279 1.00 73.11 H new ATOM 0 HG2 LYS A 590 -2.496 -13.185 3.562 1.00 3.53 H new ATOM 0 HG3 LYS A 590 -4.211 -13.532 3.466 1.00 3.53 H new ATOM 0 HD2 LYS A 590 -4.489 -12.359 1.473 1.00 5.21 H new ATOM 0 HD3 LYS A 590 -3.157 -11.268 1.797 1.00 5.21 H new ATOM 0 HE2 LYS A 590 -2.561 -12.811 -0.013 1.00 52.25 H new ATOM 0 HE3 LYS A 590 -1.533 -13.088 1.379 1.00 52.25 H new ATOM 0 HZ1 LYS A 590 -2.407 -15.139 0.341 1.00 52.51 H new ATOM 0 HZ2 LYS A 590 -2.812 -15.000 1.984 1.00 52.51 H new ATOM 0 HZ3 LYS A 590 -3.978 -14.679 0.792 1.00 52.51 H new ATOM 816 N SER A 591 -5.861 -11.764 6.402 1.00 21.32 N ATOM 817 CA SER A 591 -6.644 -12.493 7.393 1.00 74.24 C ATOM 818 C SER A 591 -8.130 -12.180 7.246 1.00 54.03 C ATOM 819 O SER A 591 -8.985 -13.003 7.575 1.00 64.14 O ATOM 820 CB SER A 591 -6.176 -12.142 8.805 1.00 5.20 C ATOM 821 OG SER A 591 -6.824 -12.949 9.773 1.00 0.52 O ATOM 0 H SER A 591 -5.141 -11.158 6.796 1.00 21.32 H new ATOM 0 HA SER A 591 -6.495 -13.559 7.224 1.00 74.24 H new ATOM 0 HB2 SER A 591 -5.097 -12.277 8.878 1.00 5.20 H new ATOM 0 HB3 SER A 591 -6.380 -11.091 9.008 1.00 5.20 H new ATOM 0 HG SER A 591 -6.506 -12.706 10.668 1.00 0.52 H new ATOM 827 N GLN A 592 -8.431 -10.984 6.749 1.00 62.00 N ATOM 828 CA GLN A 592 -9.813 -10.562 6.560 1.00 51.13 C ATOM 829 C GLN A 592 -10.457 -11.309 5.395 1.00 3.34 C ATOM 830 O GLN A 592 -11.602 -11.752 5.486 1.00 44.33 O ATOM 831 CB GLN A 592 -9.878 -9.054 6.311 1.00 50.44 C ATOM 832 CG GLN A 592 -10.006 -8.233 7.583 1.00 13.34 C ATOM 833 CD GLN A 592 -10.541 -6.837 7.327 1.00 65.23 C ATOM 834 OE1 GLN A 592 -9.898 -5.842 7.664 1.00 51.23 O ATOM 835 NE2 GLN A 592 -11.722 -6.757 6.726 1.00 71.02 N ATOM 0 H GLN A 592 -7.736 -10.291 6.470 1.00 62.00 H new ATOM 0 HA GLN A 592 -10.366 -10.798 7.469 1.00 51.13 H new ATOM 0 HB2 GLN A 592 -8.980 -8.743 5.777 1.00 50.44 H new ATOM 0 HB3 GLN A 592 -10.726 -8.838 5.662 1.00 50.44 H new ATOM 0 HG2 GLN A 592 -10.667 -8.749 8.279 1.00 13.34 H new ATOM 0 HG3 GLN A 592 -9.031 -8.161 8.064 1.00 13.34 H new ATOM 0 HE21 GLN A 592 -12.220 -7.608 6.464 1.00 71.02 H new ATOM 0 HE22 GLN A 592 -12.132 -5.845 6.526 1.00 71.02 H new ATOM 844 N HIS A 593 -9.711 -11.445 4.303 1.00 75.42 N ATOM 845 CA HIS A 593 -10.210 -12.140 3.121 1.00 3.31 C ATOM 846 C HIS A 593 -9.758 -13.597 3.116 1.00 44.01 C ATOM 847 O HIS A 593 -9.508 -14.177 2.058 1.00 12.12 O ATOM 848 CB HIS A 593 -9.725 -11.440 1.851 1.00 55.54 C ATOM 849 CG HIS A 593 -10.395 -10.124 1.600 1.00 12.23 C ATOM 850 ND1 HIS A 593 -10.726 -9.675 0.338 1.00 31.54 N ATOM 851 CD2 HIS A 593 -10.798 -9.157 2.458 1.00 1.11 C ATOM 852 CE1 HIS A 593 -11.302 -8.491 0.431 1.00 12.12 C ATOM 853 NE2 HIS A 593 -11.358 -8.154 1.708 1.00 41.31 N ATOM 0 H HIS A 593 -8.761 -11.084 4.212 1.00 75.42 H new ATOM 0 HA HIS A 593 -11.299 -12.116 3.148 1.00 3.31 H new ATOM 0 HB2 HIS A 593 -8.649 -11.283 1.921 1.00 55.54 H new ATOM 0 HB3 HIS A 593 -9.897 -12.095 0.997 1.00 55.54 H new ATOM 0 HD2 HIS A 593 -10.697 -9.172 3.533 1.00 1.11 H new ATOM 0 HE1 HIS A 593 -11.666 -7.898 -0.395 1.00 12.12 H new ATOM 0 HE2 HIS A 593 -11.753 -7.289 2.076 1.00 41.31 H new ATOM 862 N LEU A 594 -9.653 -14.183 4.304 1.00 13.20 N ATOM 863 CA LEU A 594 -9.231 -15.573 4.437 1.00 40.04 C ATOM 864 C LEU A 594 -10.339 -16.524 3.996 1.00 44.25 C ATOM 865 O LEU A 594 -11.511 -16.312 4.304 1.00 1.24 O ATOM 866 CB LEU A 594 -8.835 -15.869 5.885 1.00 62.12 C ATOM 867 CG LEU A 594 -7.978 -17.118 6.103 1.00 0.52 C ATOM 868 CD1 LEU A 594 -6.650 -16.986 5.376 1.00 65.50 C ATOM 869 CD2 LEU A 594 -7.754 -17.356 7.590 1.00 2.10 C ATOM 0 H LEU A 594 -9.854 -13.717 5.189 1.00 13.20 H new ATOM 0 HA LEU A 594 -8.367 -15.728 3.791 1.00 40.04 H new ATOM 0 HB2 LEU A 594 -8.293 -15.008 6.276 1.00 62.12 H new ATOM 0 HB3 LEU A 594 -9.745 -15.969 6.477 1.00 62.12 H new ATOM 0 HG LEU A 594 -8.509 -17.978 5.693 1.00 0.52 H new ATOM 0 HD11 LEU A 594 -6.054 -17.883 5.542 1.00 65.50 H new ATOM 0 HD12 LEU A 594 -6.830 -16.863 4.308 1.00 65.50 H new ATOM 0 HD13 LEU A 594 -6.112 -16.117 5.756 1.00 65.50 H new ATOM 0 HD21 LEU A 594 -7.143 -18.248 7.728 1.00 2.10 H new ATOM 0 HD22 LEU A 594 -7.244 -16.496 8.023 1.00 2.10 H new ATOM 0 HD23 LEU A 594 -8.715 -17.495 8.085 1.00 2.10 H new ATOM 881 N SER A 595 -9.959 -17.573 3.274 1.00 42.23 N ATOM 882 CA SER A 595 -10.920 -18.556 2.789 1.00 1.32 C ATOM 883 C SER A 595 -11.644 -19.228 3.952 1.00 43.13 C ATOM 884 O SER A 595 -11.060 -20.033 4.677 1.00 32.03 O ATOM 885 CB SER A 595 -10.215 -19.611 1.933 1.00 35.44 C ATOM 886 OG SER A 595 -11.121 -20.618 1.516 1.00 13.42 O ATOM 0 H SER A 595 -8.992 -17.764 3.012 1.00 42.23 H new ATOM 0 HA SER A 595 -11.657 -18.036 2.177 1.00 1.32 H new ATOM 0 HB2 SER A 595 -9.768 -19.136 1.060 1.00 35.44 H new ATOM 0 HB3 SER A 595 -9.402 -20.062 2.502 1.00 35.44 H new ATOM 0 HG SER A 595 -10.647 -21.279 0.970 1.00 13.42 H new ATOM 892 N GLU A 596 -12.918 -18.890 4.122 1.00 1.11 N ATOM 893 CA GLU A 596 -13.721 -19.460 5.198 1.00 14.11 C ATOM 894 C GLU A 596 -13.709 -20.985 5.137 1.00 5.13 C ATOM 895 O GLU A 596 -13.372 -21.651 6.115 1.00 22.41 O ATOM 896 CB GLU A 596 -15.161 -18.948 5.116 1.00 3.50 C ATOM 897 CG GLU A 596 -15.909 -19.428 3.884 1.00 45.54 C ATOM 898 CD GLU A 596 -16.988 -18.459 3.442 1.00 20.12 C ATOM 899 OE1 GLU A 596 -16.661 -17.497 2.716 1.00 24.21 O ATOM 900 OE2 GLU A 596 -18.160 -18.663 3.821 1.00 21.35 O ATOM 0 H GLU A 596 -13.416 -18.225 3.530 1.00 1.11 H new ATOM 0 HA GLU A 596 -13.285 -19.147 6.147 1.00 14.11 H new ATOM 0 HB2 GLU A 596 -15.702 -19.267 6.007 1.00 3.50 H new ATOM 0 HB3 GLU A 596 -15.151 -17.858 5.123 1.00 3.50 H new ATOM 0 HG2 GLU A 596 -15.201 -19.575 3.068 1.00 45.54 H new ATOM 0 HG3 GLU A 596 -16.360 -20.398 4.093 1.00 45.54 H new TER 908 GLU A 596