USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 716 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 738 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 720 THR OG1 : rot 155:sc= 1.11 USER MOD Set 2.2: A 734 LYS NZ :NH3+ 157:sc= 1.23 (180deg=-0.063) USER MOD Set 3.1: A 722 THR OG1 : rot 180:sc= 0.238 USER MOD Set 3.2: A 732 THR OG1 : rot 106:sc= 0.246 USER MOD Set 4.1: A 721 TYR OH : rot -158:sc= 0.375 USER MOD Set 4.2: A 735 GLN :FLIP amide:sc= -1.8 F(o=-2.7,f=-1.4) USER MOD Single : A 657 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 659 ASN : amide:sc= 0.358 K(o=0.36,f=-2.3!) USER MOD Single : A 662 THR OG1 : rot 180:sc= 0 USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 668 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 THR OG1 : rot 180:sc= 0 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 678 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.018) USER MOD Single : A 682 SER OG : rot 180:sc= 0 USER MOD Single : A 686 MET CE :methyl 147:sc= -0.403 (180deg=-1.66!) USER MOD Single : A 694 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 700 THR OG1 : rot 180:sc= 0 USER MOD Single : A 701 SER OG : rot 180:sc= 0 USER MOD Single : A 702 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0246) USER MOD Single : A 704 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 711 THR OG1 : rot 180:sc= 0 USER MOD Single : A 712 THR OG1 : rot -18:sc= 0.41 USER MOD Single : A 713 LYS NZ :NH3+ 159:sc= -0.0675 (180deg=-0.441) USER MOD Single : A 717 TYR OH : rot 3:sc= -0.552 USER MOD Single : A 724 THR OG1 : rot 180:sc= 0 USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 727 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0184) USER MOD Single : A 729 HIS : no HE2:sc= -0.0879 K(o=-0.088,f=-3.8!) USER MOD Single : A 736 THR OG1 : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 746 LYS NZ :NH3+ -162:sc= -0.0533 (180deg=-0.399) USER MOD Single : A 747 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 LYS NZ :NH3+ 167:sc= -0.0423 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 657 -38.437 -5.328 16.556 1.00 73.42 N ATOM 2 CA MET A 657 -38.507 -6.798 16.784 1.00 3.45 C ATOM 3 C MET A 657 -38.303 -7.572 15.472 1.00 61.44 C ATOM 4 O MET A 657 -38.663 -7.093 14.396 1.00 32.41 O ATOM 5 CB MET A 657 -39.847 -7.179 17.434 1.00 23.23 C ATOM 6 CG MET A 657 -41.076 -6.718 16.658 1.00 44.32 C ATOM 7 SD MET A 657 -42.621 -7.230 17.436 1.00 24.55 S ATOM 8 CE MET A 657 -43.828 -6.422 16.386 1.00 65.23 C ATOM 0 HA MET A 657 -37.701 -7.073 17.464 1.00 3.45 H new ATOM 0 HB2 MET A 657 -39.888 -8.262 17.546 1.00 23.23 H new ATOM 0 HB3 MET A 657 -39.885 -6.754 18.437 1.00 23.23 H new ATOM 0 HG2 MET A 657 -41.060 -5.632 16.571 1.00 44.32 H new ATOM 0 HG3 MET A 657 -41.033 -7.119 15.645 1.00 44.32 H new ATOM 0 HE1 MET A 657 -44.832 -6.648 16.745 1.00 65.23 H new ATOM 0 HE2 MET A 657 -43.668 -5.344 16.410 1.00 65.23 H new ATOM 0 HE3 MET A 657 -43.719 -6.782 15.363 1.00 65.23 H new ATOM 20 N GLY A 658 -37.729 -8.769 15.568 1.00 53.44 N ATOM 21 CA GLY A 658 -37.393 -9.542 14.375 1.00 22.22 C ATOM 22 C GLY A 658 -36.232 -8.928 13.600 1.00 30.35 C ATOM 23 O GLY A 658 -36.387 -8.512 12.451 1.00 31.11 O ATOM 0 H GLY A 658 -37.489 -9.221 16.450 1.00 53.44 H new ATOM 0 HA2 GLY A 658 -37.136 -10.561 14.665 1.00 22.22 H new ATOM 0 HA3 GLY A 658 -38.267 -9.606 13.727 1.00 22.22 H new ATOM 27 N ASN A 659 -35.071 -8.853 14.242 1.00 51.42 N ATOM 28 CA ASN A 659 -33.879 -8.253 13.635 1.00 23.12 C ATOM 29 C ASN A 659 -33.450 -8.976 12.347 1.00 63.43 C ATOM 30 O ASN A 659 -32.924 -10.090 12.393 1.00 70.33 O ATOM 31 CB ASN A 659 -32.714 -8.249 14.635 1.00 55.04 C ATOM 32 CG ASN A 659 -32.953 -7.324 15.814 1.00 62.54 C ATOM 33 OD1 ASN A 659 -34.083 -7.110 16.240 1.00 65.20 O ATOM 34 ND2 ASN A 659 -31.887 -6.763 16.349 1.00 40.13 N ATOM 0 H ASN A 659 -34.926 -9.202 15.189 1.00 51.42 H new ATOM 0 HA ASN A 659 -34.141 -7.229 13.369 1.00 23.12 H new ATOM 0 HB2 ASN A 659 -32.553 -9.263 15.002 1.00 55.04 H new ATOM 0 HB3 ASN A 659 -31.801 -7.947 14.121 1.00 55.04 H new ATOM 0 HD21 ASN A 659 -31.988 -6.129 17.142 1.00 40.13 H new ATOM 0 HD22 ASN A 659 -30.961 -6.963 15.970 1.00 40.13 H new ATOM 41 N GLY A 660 -33.691 -8.338 11.203 1.00 41.22 N ATOM 42 CA GLY A 660 -33.202 -8.851 9.928 1.00 21.52 C ATOM 43 C GLY A 660 -31.890 -8.185 9.527 1.00 3.13 C ATOM 44 O GLY A 660 -31.811 -7.501 8.506 1.00 61.31 O ATOM 0 H GLY A 660 -34.220 -7.469 11.134 1.00 41.22 H new ATOM 0 HA2 GLY A 660 -33.058 -9.929 9.999 1.00 21.52 H new ATOM 0 HA3 GLY A 660 -33.950 -8.680 9.154 1.00 21.52 H new ATOM 48 N GLU A 661 -30.864 -8.378 10.347 1.00 51.11 N ATOM 49 CA GLU A 661 -29.583 -7.684 10.176 1.00 60.02 C ATOM 50 C GLU A 661 -28.511 -8.580 9.530 1.00 24.45 C ATOM 51 O GLU A 661 -28.381 -9.760 9.861 1.00 52.54 O ATOM 52 CB GLU A 661 -29.095 -7.175 11.541 1.00 63.12 C ATOM 53 CG GLU A 661 -29.062 -8.252 12.623 1.00 11.32 C ATOM 54 CD GLU A 661 -28.606 -7.719 13.970 1.00 11.11 C ATOM 55 OE1 GLU A 661 -29.421 -7.075 14.667 1.00 15.22 O ATOM 56 OE2 GLU A 661 -27.429 -7.932 14.331 1.00 24.02 O ATOM 0 H GLU A 661 -30.890 -9.013 11.144 1.00 51.11 H new ATOM 0 HA GLU A 661 -29.746 -6.846 9.498 1.00 60.02 H new ATOM 0 HB2 GLU A 661 -28.095 -6.757 11.426 1.00 63.12 H new ATOM 0 HB3 GLU A 661 -29.744 -6.363 11.869 1.00 63.12 H new ATOM 0 HG2 GLU A 661 -30.056 -8.687 12.727 1.00 11.32 H new ATOM 0 HG3 GLU A 661 -28.394 -9.055 12.310 1.00 11.32 H new ATOM 63 N THR A 662 -27.748 -8.002 8.606 1.00 21.11 N ATOM 64 CA THR A 662 -26.653 -8.714 7.927 1.00 62.41 C ATOM 65 C THR A 662 -25.312 -8.496 8.653 1.00 22.30 C ATOM 66 O THR A 662 -25.114 -7.476 9.314 1.00 12.24 O ATOM 67 CB THR A 662 -26.503 -8.236 6.459 1.00 75.02 C ATOM 68 OG1 THR A 662 -27.764 -8.327 5.779 1.00 51.44 O ATOM 69 CG2 THR A 662 -25.459 -9.055 5.698 1.00 51.22 C ATOM 0 H THR A 662 -27.864 -7.035 8.304 1.00 21.11 H new ATOM 0 HA THR A 662 -26.907 -9.774 7.943 1.00 62.41 H new ATOM 0 HB THR A 662 -26.168 -7.199 6.487 1.00 75.02 H new ATOM 0 HG1 THR A 662 -27.659 -8.022 4.854 1.00 51.44 H new ATOM 0 HG21 THR A 662 -25.385 -8.688 4.674 1.00 51.22 H new ATOM 0 HG22 THR A 662 -24.491 -8.958 6.190 1.00 51.22 H new ATOM 0 HG23 THR A 662 -25.756 -10.104 5.687 1.00 51.22 H new ATOM 77 N SER A 663 -24.395 -9.453 8.528 1.00 55.43 N ATOM 78 CA SER A 663 -23.052 -9.323 9.120 1.00 33.33 C ATOM 79 C SER A 663 -22.061 -8.739 8.103 1.00 24.53 C ATOM 80 O SER A 663 -22.144 -9.032 6.907 1.00 30.23 O ATOM 81 CB SER A 663 -22.552 -10.688 9.613 1.00 70.44 C ATOM 82 OG SER A 663 -21.309 -10.580 10.296 1.00 62.42 O ATOM 0 H SER A 663 -24.550 -10.327 8.025 1.00 55.43 H new ATOM 0 HA SER A 663 -23.120 -8.642 9.968 1.00 33.33 H new ATOM 0 HB2 SER A 663 -23.295 -11.129 10.278 1.00 70.44 H new ATOM 0 HB3 SER A 663 -22.443 -11.363 8.764 1.00 70.44 H new ATOM 0 HG SER A 663 -21.023 -11.468 10.597 1.00 62.42 H new ATOM 88 N ASP A 664 -21.132 -7.907 8.573 1.00 65.25 N ATOM 89 CA ASP A 664 -20.153 -7.267 7.685 1.00 22.04 C ATOM 90 C ASP A 664 -18.889 -8.122 7.495 1.00 51.34 C ATOM 91 O ASP A 664 -18.520 -8.931 8.351 1.00 41.14 O ATOM 92 CB ASP A 664 -19.774 -5.878 8.213 1.00 62.23 C ATOM 93 CG ASP A 664 -18.788 -5.157 7.305 1.00 35.03 C ATOM 94 OD1 ASP A 664 -18.911 -5.258 6.066 1.00 11.14 O ATOM 95 OD2 ASP A 664 -17.886 -4.467 7.811 1.00 72.44 O ATOM 0 H ASP A 664 -21.034 -7.659 9.558 1.00 65.25 H new ATOM 0 HA ASP A 664 -20.629 -7.165 6.710 1.00 22.04 H new ATOM 0 HB2 ASP A 664 -20.675 -5.274 8.317 1.00 62.23 H new ATOM 0 HB3 ASP A 664 -19.341 -5.977 9.208 1.00 62.23 H new ATOM 100 N LEU A 665 -18.231 -7.910 6.361 1.00 65.41 N ATOM 101 CA LEU A 665 -17.009 -8.626 5.996 1.00 2.13 C ATOM 102 C LEU A 665 -15.810 -7.665 5.959 1.00 60.44 C ATOM 103 O LEU A 665 -15.931 -6.536 5.481 1.00 63.42 O ATOM 104 CB LEU A 665 -17.190 -9.277 4.618 1.00 20.30 C ATOM 105 CG LEU A 665 -18.424 -10.185 4.477 1.00 51.42 C ATOM 106 CD1 LEU A 665 -18.622 -10.596 3.020 1.00 12.21 C ATOM 107 CD2 LEU A 665 -18.295 -11.410 5.379 1.00 71.40 C ATOM 0 H LEU A 665 -18.531 -7.231 5.662 1.00 65.41 H new ATOM 0 HA LEU A 665 -16.816 -9.395 6.744 1.00 2.13 H new ATOM 0 HB2 LEU A 665 -17.251 -8.489 3.867 1.00 20.30 H new ATOM 0 HB3 LEU A 665 -16.300 -9.864 4.392 1.00 20.30 H new ATOM 0 HG LEU A 665 -19.304 -9.625 4.793 1.00 51.42 H new ATOM 0 HD11 LEU A 665 -19.499 -11.238 2.939 1.00 12.21 H new ATOM 0 HD12 LEU A 665 -18.766 -9.706 2.407 1.00 12.21 H new ATOM 0 HD13 LEU A 665 -17.743 -11.138 2.672 1.00 12.21 H new ATOM 0 HD21 LEU A 665 -19.177 -12.040 5.265 1.00 71.40 H new ATOM 0 HD22 LEU A 665 -17.406 -11.976 5.099 1.00 71.40 H new ATOM 0 HD23 LEU A 665 -18.209 -11.090 6.417 1.00 71.40 H new ATOM 119 N GLU A 666 -14.666 -8.100 6.483 1.00 13.43 N ATOM 120 CA GLU A 666 -13.437 -7.289 6.426 1.00 4.52 C ATOM 121 C GLU A 666 -13.111 -6.865 4.977 1.00 35.51 C ATOM 122 O GLU A 666 -13.244 -7.660 4.041 1.00 51.12 O ATOM 123 CB GLU A 666 -12.241 -8.025 7.068 1.00 12.41 C ATOM 124 CG GLU A 666 -12.063 -9.486 6.648 1.00 3.45 C ATOM 125 CD GLU A 666 -13.043 -10.427 7.338 1.00 21.13 C ATOM 126 OE1 GLU A 666 -12.932 -10.611 8.567 1.00 35.34 O ATOM 127 OE2 GLU A 666 -13.952 -10.962 6.663 1.00 51.01 O ATOM 0 H GLU A 666 -14.557 -9.001 6.949 1.00 13.43 H new ATOM 0 HA GLU A 666 -13.619 -6.385 7.007 1.00 4.52 H new ATOM 0 HB2 GLU A 666 -11.329 -7.481 6.823 1.00 12.41 H new ATOM 0 HB3 GLU A 666 -12.353 -7.988 8.152 1.00 12.41 H new ATOM 0 HG2 GLU A 666 -12.190 -9.566 5.568 1.00 3.45 H new ATOM 0 HG3 GLU A 666 -11.044 -9.802 6.874 1.00 3.45 H new ATOM 134 N PRO A 667 -12.666 -5.604 4.780 1.00 35.11 N ATOM 135 CA PRO A 667 -12.591 -4.977 3.443 1.00 64.10 C ATOM 136 C PRO A 667 -11.522 -5.571 2.499 1.00 11.42 C ATOM 137 O PRO A 667 -10.563 -6.221 2.924 1.00 63.33 O ATOM 138 CB PRO A 667 -12.265 -3.510 3.767 1.00 41.32 C ATOM 139 CG PRO A 667 -11.547 -3.566 5.071 1.00 44.34 C ATOM 140 CD PRO A 667 -12.187 -4.692 5.840 1.00 21.14 C ATOM 0 HA PRO A 667 -13.520 -5.136 2.895 1.00 64.10 H new ATOM 0 HB2 PRO A 667 -11.645 -3.061 2.991 1.00 41.32 H new ATOM 0 HB3 PRO A 667 -13.171 -2.909 3.839 1.00 41.32 H new ATOM 0 HG2 PRO A 667 -10.482 -3.747 4.924 1.00 44.34 H new ATOM 0 HG3 PRO A 667 -11.638 -2.623 5.609 1.00 44.34 H new ATOM 0 HD2 PRO A 667 -11.473 -5.184 6.500 1.00 21.14 H new ATOM 0 HD3 PRO A 667 -13.007 -4.337 6.465 1.00 21.14 H new ATOM 148 N LYS A 668 -11.712 -5.317 1.203 1.00 22.11 N ATOM 149 CA LYS A 668 -10.795 -5.748 0.145 1.00 22.45 C ATOM 150 C LYS A 668 -9.621 -4.761 -0.005 1.00 41.52 C ATOM 151 O LYS A 668 -9.772 -3.679 -0.569 1.00 30.34 O ATOM 152 CB LYS A 668 -11.580 -5.863 -1.185 1.00 70.10 C ATOM 153 CG LYS A 668 -10.730 -5.967 -2.463 1.00 2.00 C ATOM 154 CD LYS A 668 -10.167 -7.368 -2.717 1.00 3.02 C ATOM 155 CE LYS A 668 -9.024 -7.726 -1.777 1.00 3.00 C ATOM 156 NZ LYS A 668 -8.335 -8.972 -2.199 1.00 44.41 N ATOM 0 H LYS A 668 -12.518 -4.799 0.854 1.00 22.11 H new ATOM 0 HA LYS A 668 -10.376 -6.719 0.409 1.00 22.45 H new ATOM 0 HB2 LYS A 668 -12.225 -6.740 -1.129 1.00 70.10 H new ATOM 0 HB3 LYS A 668 -12.232 -4.994 -1.276 1.00 70.10 H new ATOM 0 HG2 LYS A 668 -11.337 -5.669 -3.318 1.00 2.00 H new ATOM 0 HG3 LYS A 668 -9.903 -5.260 -2.397 1.00 2.00 H new ATOM 0 HD2 LYS A 668 -10.966 -8.101 -2.605 1.00 3.02 H new ATOM 0 HD3 LYS A 668 -9.817 -7.432 -3.747 1.00 3.02 H new ATOM 0 HE2 LYS A 668 -8.307 -6.906 -1.747 1.00 3.00 H new ATOM 0 HE3 LYS A 668 -9.410 -7.849 -0.765 1.00 3.00 H new ATOM 0 HZ1 LYS A 668 -7.563 -9.184 -1.535 1.00 44.41 H new ATOM 0 HZ2 LYS A 668 -9.014 -9.760 -2.203 1.00 44.41 H new ATOM 0 HZ3 LYS A 668 -7.945 -8.846 -3.155 1.00 44.41 H new ATOM 170 N LEU A 669 -8.458 -5.129 0.530 1.00 4.12 N ATOM 171 CA LEU A 669 -7.245 -4.316 0.382 1.00 63.30 C ATOM 172 C LEU A 669 -6.295 -4.924 -0.665 1.00 43.11 C ATOM 173 O LEU A 669 -5.771 -6.023 -0.478 1.00 52.52 O ATOM 174 CB LEU A 669 -6.527 -4.184 1.734 1.00 54.44 C ATOM 175 CG LEU A 669 -5.239 -3.340 1.722 1.00 21.13 C ATOM 176 CD1 LEU A 669 -5.525 -1.907 1.273 1.00 35.31 C ATOM 177 CD2 LEU A 669 -4.575 -3.352 3.098 1.00 22.51 C ATOM 0 H LEU A 669 -8.327 -5.984 1.070 1.00 4.12 H new ATOM 0 HA LEU A 669 -7.541 -3.325 0.037 1.00 63.30 H new ATOM 0 HB2 LEU A 669 -7.220 -3.747 2.452 1.00 54.44 H new ATOM 0 HB3 LEU A 669 -6.282 -5.183 2.095 1.00 54.44 H new ATOM 0 HG LEU A 669 -4.551 -3.786 1.004 1.00 21.13 H new ATOM 0 HD11 LEU A 669 -4.598 -1.334 1.274 1.00 35.31 H new ATOM 0 HD12 LEU A 669 -5.944 -1.918 0.267 1.00 35.31 H new ATOM 0 HD13 LEU A 669 -6.237 -1.446 1.958 1.00 35.31 H new ATOM 0 HD21 LEU A 669 -3.667 -2.750 3.069 1.00 22.51 H new ATOM 0 HD22 LEU A 669 -5.261 -2.938 3.837 1.00 22.51 H new ATOM 0 HD23 LEU A 669 -4.323 -4.377 3.371 1.00 22.51 H new ATOM 189 N THR A 670 -6.089 -4.210 -1.768 1.00 71.03 N ATOM 190 CA THR A 670 -5.179 -4.657 -2.833 1.00 12.24 C ATOM 191 C THR A 670 -3.833 -3.926 -2.763 1.00 75.44 C ATOM 192 O THR A 670 -3.755 -2.718 -3.004 1.00 55.01 O ATOM 193 CB THR A 670 -5.788 -4.435 -4.240 1.00 73.43 C ATOM 194 OG1 THR A 670 -7.001 -5.193 -4.386 1.00 73.21 O ATOM 195 CG2 THR A 670 -4.808 -4.836 -5.341 1.00 24.24 C ATOM 0 H THR A 670 -6.540 -3.314 -1.954 1.00 71.03 H new ATOM 0 HA THR A 670 -5.024 -5.724 -2.673 1.00 12.24 H new ATOM 0 HB THR A 670 -6.006 -3.371 -4.338 1.00 73.43 H new ATOM 0 HG1 THR A 670 -7.376 -5.042 -5.279 1.00 73.21 H new ATOM 0 HG21 THR A 670 -5.267 -4.668 -6.315 1.00 24.24 H new ATOM 0 HG22 THR A 670 -3.902 -4.236 -5.258 1.00 24.24 H new ATOM 0 HG23 THR A 670 -4.555 -5.891 -5.236 1.00 24.24 H new ATOM 203 N VAL A 671 -2.778 -4.664 -2.426 1.00 64.44 N ATOM 204 CA VAL A 671 -1.416 -4.120 -2.370 1.00 74.51 C ATOM 205 C VAL A 671 -0.458 -4.958 -3.233 1.00 54.23 C ATOM 206 O VAL A 671 -0.467 -6.188 -3.155 1.00 41.25 O ATOM 207 CB VAL A 671 -0.896 -4.087 -0.907 1.00 4.51 C ATOM 208 CG1 VAL A 671 0.561 -3.631 -0.844 1.00 75.12 C ATOM 209 CG2 VAL A 671 -1.775 -3.185 -0.044 1.00 50.12 C ATOM 0 H VAL A 671 -2.839 -5.653 -2.184 1.00 64.44 H new ATOM 0 HA VAL A 671 -1.450 -3.103 -2.760 1.00 74.51 H new ATOM 0 HB VAL A 671 -0.946 -5.103 -0.514 1.00 4.51 H new ATOM 0 HG11 VAL A 671 0.894 -3.619 0.194 1.00 75.12 H new ATOM 0 HG12 VAL A 671 1.183 -4.319 -1.417 1.00 75.12 H new ATOM 0 HG13 VAL A 671 0.647 -2.629 -1.264 1.00 75.12 H new ATOM 0 HG21 VAL A 671 -1.394 -3.175 0.977 1.00 50.12 H new ATOM 0 HG22 VAL A 671 -1.762 -2.172 -0.446 1.00 50.12 H new ATOM 0 HG23 VAL A 671 -2.797 -3.563 -0.046 1.00 50.12 H new ATOM 219 N PRO A 672 0.380 -4.315 -4.076 1.00 34.43 N ATOM 220 CA PRO A 672 1.354 -5.037 -4.916 1.00 40.03 C ATOM 221 C PRO A 672 2.450 -5.728 -4.081 1.00 2.52 C ATOM 222 O PRO A 672 2.958 -5.161 -3.118 1.00 52.15 O ATOM 223 CB PRO A 672 1.949 -3.934 -5.807 1.00 74.10 C ATOM 224 CG PRO A 672 1.722 -2.662 -5.061 1.00 54.33 C ATOM 225 CD PRO A 672 0.450 -2.852 -4.274 1.00 23.31 C ATOM 0 HA PRO A 672 0.888 -5.844 -5.482 1.00 40.03 H new ATOM 0 HB2 PRO A 672 3.011 -4.102 -5.985 1.00 74.10 H new ATOM 0 HB3 PRO A 672 1.463 -3.911 -6.782 1.00 74.10 H new ATOM 0 HG2 PRO A 672 2.560 -2.445 -4.399 1.00 54.33 H new ATOM 0 HG3 PRO A 672 1.632 -1.820 -5.747 1.00 54.33 H new ATOM 0 HD2 PRO A 672 0.483 -2.320 -3.323 1.00 23.31 H new ATOM 0 HD3 PRO A 672 -0.418 -2.479 -4.818 1.00 23.31 H new ATOM 233 N VAL A 673 2.809 -6.956 -4.457 1.00 50.33 N ATOM 234 CA VAL A 673 3.777 -7.749 -3.687 1.00 63.15 C ATOM 235 C VAL A 673 5.220 -7.231 -3.850 1.00 21.45 C ATOM 236 O VAL A 673 6.018 -7.280 -2.910 1.00 12.41 O ATOM 237 CB VAL A 673 3.718 -9.247 -4.088 1.00 32.20 C ATOM 238 CG1 VAL A 673 4.082 -9.439 -5.561 1.00 4.04 C ATOM 239 CG2 VAL A 673 4.617 -10.092 -3.187 1.00 33.43 C ATOM 0 H VAL A 673 2.447 -7.425 -5.287 1.00 50.33 H new ATOM 0 HA VAL A 673 3.495 -7.643 -2.639 1.00 63.15 H new ATOM 0 HB VAL A 673 2.692 -9.587 -3.951 1.00 32.20 H new ATOM 0 HG11 VAL A 673 4.032 -10.498 -5.813 1.00 4.04 H new ATOM 0 HG12 VAL A 673 3.381 -8.884 -6.184 1.00 4.04 H new ATOM 0 HG13 VAL A 673 5.093 -9.072 -5.737 1.00 4.04 H new ATOM 0 HG21 VAL A 673 4.557 -11.137 -3.490 1.00 33.43 H new ATOM 0 HG22 VAL A 673 5.647 -9.748 -3.275 1.00 33.43 H new ATOM 0 HG23 VAL A 673 4.289 -9.995 -2.152 1.00 33.43 H new ATOM 249 N GLY A 674 5.551 -6.722 -5.033 1.00 74.32 N ATOM 250 CA GLY A 674 6.916 -6.279 -5.294 1.00 24.30 C ATOM 251 C GLY A 674 7.008 -5.147 -6.308 1.00 34.34 C ATOM 252 O GLY A 674 6.168 -5.028 -7.200 1.00 31.43 O ATOM 0 H GLY A 674 4.905 -6.607 -5.814 1.00 74.32 H new ATOM 0 HA2 GLY A 674 7.368 -5.954 -4.357 1.00 24.30 H new ATOM 0 HA3 GLY A 674 7.501 -7.126 -5.653 1.00 24.30 H new ATOM 256 N ALA A 675 8.041 -4.320 -6.170 1.00 32.25 N ATOM 257 CA ALA A 675 8.275 -3.195 -7.079 1.00 63.33 C ATOM 258 C ALA A 675 9.770 -3.061 -7.416 1.00 14.44 C ATOM 259 O ALA A 675 10.630 -3.308 -6.569 1.00 23.11 O ATOM 260 CB ALA A 675 7.751 -1.902 -6.460 1.00 13.24 C ATOM 0 H ALA A 675 8.738 -4.407 -5.430 1.00 32.25 H new ATOM 0 HA ALA A 675 7.736 -3.386 -8.007 1.00 63.33 H new ATOM 0 HB1 ALA A 675 7.930 -1.072 -7.144 1.00 13.24 H new ATOM 0 HB2 ALA A 675 6.681 -1.995 -6.275 1.00 13.24 H new ATOM 0 HB3 ALA A 675 8.267 -1.714 -5.519 1.00 13.24 H new ATOM 266 N THR A 676 10.074 -2.667 -8.650 1.00 42.02 N ATOM 267 CA THR A 676 11.469 -2.535 -9.102 1.00 33.13 C ATOM 268 C THR A 676 11.699 -1.189 -9.795 1.00 21.22 C ATOM 269 O THR A 676 11.085 -0.900 -10.820 1.00 25.41 O ATOM 270 CB THR A 676 11.857 -3.672 -10.087 1.00 14.23 C ATOM 271 OG1 THR A 676 11.578 -4.954 -9.499 1.00 13.14 O ATOM 272 CG2 THR A 676 13.337 -3.596 -10.468 1.00 13.22 C ATOM 0 H THR A 676 9.379 -2.432 -9.359 1.00 42.02 H new ATOM 0 HA THR A 676 12.094 -2.601 -8.212 1.00 33.13 H new ATOM 0 HB THR A 676 11.261 -3.547 -10.991 1.00 14.23 H new ATOM 0 HG1 THR A 676 11.825 -5.663 -10.129 1.00 13.14 H new ATOM 0 HG21 THR A 676 13.577 -4.405 -11.158 1.00 13.22 H new ATOM 0 HG22 THR A 676 13.541 -2.638 -10.947 1.00 13.22 H new ATOM 0 HG23 THR A 676 13.949 -3.691 -9.571 1.00 13.22 H new ATOM 280 N ILE A 677 12.591 -0.370 -9.239 1.00 53.14 N ATOM 281 CA ILE A 677 12.906 0.941 -9.821 1.00 14.42 C ATOM 282 C ILE A 677 14.416 1.215 -9.818 1.00 71.43 C ATOM 283 O ILE A 677 15.211 0.400 -9.340 1.00 5.45 O ATOM 284 CB ILE A 677 12.173 2.099 -9.091 1.00 71.13 C ATOM 285 CG1 ILE A 677 12.584 2.168 -7.611 1.00 11.03 C ATOM 286 CG2 ILE A 677 10.657 1.955 -9.230 1.00 33.11 C ATOM 287 CD1 ILE A 677 11.992 3.354 -6.874 1.00 74.35 C ATOM 0 H ILE A 677 13.109 -0.587 -8.388 1.00 53.14 H new ATOM 0 HA ILE A 677 12.553 0.904 -10.852 1.00 14.42 H new ATOM 0 HB ILE A 677 12.470 3.035 -9.564 1.00 71.13 H new ATOM 0 HG12 ILE A 677 12.274 1.249 -7.113 1.00 11.03 H new ATOM 0 HG13 ILE A 677 13.671 2.215 -7.546 1.00 11.03 H new ATOM 0 HG21 ILE A 677 10.164 2.777 -8.711 1.00 33.11 H new ATOM 0 HG22 ILE A 677 10.385 1.977 -10.285 1.00 33.11 H new ATOM 0 HG23 ILE A 677 10.340 1.008 -8.793 1.00 33.11 H new ATOM 0 HD11 ILE A 677 12.324 3.340 -5.836 1.00 74.35 H new ATOM 0 HD12 ILE A 677 12.322 4.278 -7.348 1.00 74.35 H new ATOM 0 HD13 ILE A 677 10.904 3.297 -6.908 1.00 74.35 H new ATOM 299 N HIS A 678 14.813 2.359 -10.371 1.00 51.41 N ATOM 300 CA HIS A 678 16.232 2.730 -10.459 1.00 64.12 C ATOM 301 C HIS A 678 16.488 4.147 -9.927 1.00 14.23 C ATOM 302 O HIS A 678 15.711 5.063 -10.180 1.00 34.24 O ATOM 303 CB HIS A 678 16.723 2.613 -11.908 1.00 63.41 C ATOM 304 CG HIS A 678 16.784 1.200 -12.404 1.00 51.22 C ATOM 305 ND1 HIS A 678 15.716 0.560 -12.997 1.00 20.10 N ATOM 306 CD2 HIS A 678 17.797 0.299 -12.392 1.00 51.15 C ATOM 307 CE1 HIS A 678 16.067 -0.665 -13.328 1.00 30.21 C ATOM 308 NE2 HIS A 678 17.323 -0.849 -12.976 1.00 61.23 N ATOM 0 H HIS A 678 14.174 3.049 -10.767 1.00 51.41 H new ATOM 0 HA HIS A 678 16.791 2.036 -9.831 1.00 64.12 H new ATOM 0 HB2 HIS A 678 16.062 3.189 -12.555 1.00 63.41 H new ATOM 0 HB3 HIS A 678 17.714 3.060 -11.985 1.00 63.41 H new ATOM 0 HD2 HIS A 678 18.790 0.455 -11.997 1.00 51.15 H new ATOM 0 HE1 HIS A 678 15.432 -1.396 -13.807 1.00 30.21 H new ATOM 0 HE2 HIS A 678 17.857 -1.707 -13.115 1.00 61.23 H new ATOM 317 N VAL A 679 17.603 4.305 -9.212 1.00 65.40 N ATOM 318 CA VAL A 679 17.990 5.588 -8.601 1.00 70.22 C ATOM 319 C VAL A 679 17.859 6.772 -9.579 1.00 3.24 C ATOM 320 O VAL A 679 18.480 6.785 -10.647 1.00 40.43 O ATOM 321 CB VAL A 679 19.448 5.524 -8.073 1.00 2.54 C ATOM 322 CG1 VAL A 679 19.886 6.864 -7.482 1.00 64.22 C ATOM 323 CG2 VAL A 679 19.599 4.408 -7.040 1.00 12.51 C ATOM 0 H VAL A 679 18.267 3.550 -9.037 1.00 65.40 H new ATOM 0 HA VAL A 679 17.300 5.756 -7.774 1.00 70.22 H new ATOM 0 HB VAL A 679 20.098 5.304 -8.920 1.00 2.54 H new ATOM 0 HG11 VAL A 679 20.912 6.785 -7.121 1.00 64.22 H new ATOM 0 HG12 VAL A 679 19.830 7.636 -8.249 1.00 64.22 H new ATOM 0 HG13 VAL A 679 19.229 7.128 -6.653 1.00 64.22 H new ATOM 0 HG21 VAL A 679 20.628 4.380 -6.682 1.00 12.51 H new ATOM 0 HG22 VAL A 679 18.928 4.595 -6.201 1.00 12.51 H new ATOM 0 HG23 VAL A 679 19.348 3.451 -7.498 1.00 12.51 H new ATOM 333 N GLY A 680 17.058 7.766 -9.197 1.00 42.42 N ATOM 334 CA GLY A 680 16.848 8.944 -10.037 1.00 54.04 C ATOM 335 C GLY A 680 15.498 8.950 -10.753 1.00 74.21 C ATOM 336 O GLY A 680 15.288 9.730 -11.690 1.00 51.44 O ATOM 0 H GLY A 680 16.546 7.779 -8.315 1.00 42.42 H new ATOM 0 HA2 GLY A 680 16.927 9.839 -9.420 1.00 54.04 H new ATOM 0 HA3 GLY A 680 17.644 8.998 -10.779 1.00 54.04 H new ATOM 340 N ASP A 681 14.577 8.095 -10.315 1.00 23.11 N ATOM 341 CA ASP A 681 13.249 7.994 -10.932 1.00 64.41 C ATOM 342 C ASP A 681 12.169 8.731 -10.108 1.00 15.43 C ATOM 343 O ASP A 681 12.471 9.595 -9.276 1.00 64.31 O ATOM 344 CB ASP A 681 12.876 6.515 -11.084 1.00 15.32 C ATOM 345 CG ASP A 681 12.480 5.874 -9.767 1.00 55.10 C ATOM 346 OD1 ASP A 681 13.277 5.931 -8.810 1.00 12.54 O ATOM 347 OD2 ASP A 681 11.352 5.336 -9.685 1.00 61.02 O ATOM 0 H ASP A 681 14.723 7.458 -9.532 1.00 23.11 H new ATOM 0 HA ASP A 681 13.292 8.474 -11.910 1.00 64.41 H new ATOM 0 HB2 ASP A 681 12.051 6.423 -11.791 1.00 15.32 H new ATOM 0 HB3 ASP A 681 13.721 5.973 -11.508 1.00 15.32 H new ATOM 352 N SER A 682 10.905 8.393 -10.368 1.00 0.33 N ATOM 353 CA SER A 682 9.767 8.933 -9.609 1.00 72.32 C ATOM 354 C SER A 682 8.788 7.808 -9.239 1.00 3.44 C ATOM 355 O SER A 682 8.124 7.237 -10.113 1.00 73.33 O ATOM 356 CB SER A 682 9.030 10.007 -10.421 1.00 33.12 C ATOM 357 OG SER A 682 9.901 11.061 -10.809 1.00 4.22 O ATOM 0 H SER A 682 10.638 7.741 -11.106 1.00 0.33 H new ATOM 0 HA SER A 682 10.156 9.386 -8.697 1.00 72.32 H new ATOM 0 HB2 SER A 682 8.589 9.554 -11.309 1.00 33.12 H new ATOM 0 HB3 SER A 682 8.209 10.412 -9.829 1.00 33.12 H new ATOM 0 HG SER A 682 9.400 11.726 -11.325 1.00 4.22 H new ATOM 363 N PHE A 683 8.703 7.482 -7.953 1.00 2.14 N ATOM 364 CA PHE A 683 7.844 6.387 -7.480 1.00 10.12 C ATOM 365 C PHE A 683 6.764 6.897 -6.511 1.00 31.22 C ATOM 366 O PHE A 683 7.049 7.699 -5.621 1.00 54.14 O ATOM 367 CB PHE A 683 8.705 5.314 -6.793 1.00 31.44 C ATOM 368 CG PHE A 683 7.935 4.098 -6.323 1.00 10.05 C ATOM 369 CD1 PHE A 683 7.680 3.044 -7.191 1.00 62.41 C ATOM 370 CD2 PHE A 683 7.474 4.006 -5.015 1.00 40.14 C ATOM 371 CE1 PHE A 683 6.978 1.931 -6.767 1.00 54.10 C ATOM 372 CE2 PHE A 683 6.772 2.892 -4.588 1.00 62.33 C ATOM 373 CZ PHE A 683 6.526 1.854 -5.465 1.00 21.41 C ATOM 0 H PHE A 683 9.218 7.959 -7.213 1.00 2.14 H new ATOM 0 HA PHE A 683 7.339 5.954 -8.343 1.00 10.12 H new ATOM 0 HB2 PHE A 683 9.482 4.991 -7.486 1.00 31.44 H new ATOM 0 HB3 PHE A 683 9.208 5.763 -5.937 1.00 31.44 H new ATOM 0 HD1 PHE A 683 8.035 3.095 -8.210 1.00 62.41 H new ATOM 0 HD2 PHE A 683 7.666 4.813 -4.324 1.00 40.14 H new ATOM 0 HE1 PHE A 683 6.783 1.121 -7.455 1.00 54.10 H new ATOM 0 HE2 PHE A 683 6.417 2.835 -3.570 1.00 62.33 H new ATOM 0 HZ PHE A 683 5.981 0.983 -5.133 1.00 21.41 H new ATOM 383 N VAL A 684 5.530 6.422 -6.682 1.00 64.05 N ATOM 384 CA VAL A 684 4.421 6.790 -5.790 1.00 2.44 C ATOM 385 C VAL A 684 3.806 5.544 -5.127 1.00 43.15 C ATOM 386 O VAL A 684 3.174 4.724 -5.798 1.00 71.03 O ATOM 387 CB VAL A 684 3.311 7.556 -6.548 1.00 24.04 C ATOM 388 CG1 VAL A 684 2.156 7.906 -5.610 1.00 41.21 C ATOM 389 CG2 VAL A 684 3.872 8.811 -7.213 1.00 53.11 C ATOM 0 H VAL A 684 5.269 5.780 -7.431 1.00 64.05 H new ATOM 0 HA VAL A 684 4.839 7.441 -5.022 1.00 2.44 H new ATOM 0 HB VAL A 684 2.925 6.904 -7.332 1.00 24.04 H new ATOM 0 HG11 VAL A 684 1.387 8.444 -6.165 1.00 41.21 H new ATOM 0 HG12 VAL A 684 1.732 6.990 -5.198 1.00 41.21 H new ATOM 0 HG13 VAL A 684 2.524 8.533 -4.798 1.00 41.21 H new ATOM 0 HG21 VAL A 684 3.072 9.332 -7.739 1.00 53.11 H new ATOM 0 HG22 VAL A 684 4.294 9.468 -6.453 1.00 53.11 H new ATOM 0 HG23 VAL A 684 4.650 8.530 -7.922 1.00 53.11 H new ATOM 399 N PRO A 685 3.974 5.387 -3.798 1.00 32.14 N ATOM 400 CA PRO A 685 3.494 4.197 -3.068 1.00 40.31 C ATOM 401 C PRO A 685 1.971 3.968 -3.168 1.00 40.23 C ATOM 402 O PRO A 685 1.527 2.874 -3.511 1.00 63.21 O ATOM 403 CB PRO A 685 3.920 4.465 -1.611 1.00 1.31 C ATOM 404 CG PRO A 685 4.208 5.929 -1.536 1.00 10.54 C ATOM 405 CD PRO A 685 4.662 6.342 -2.909 1.00 54.14 C ATOM 0 HA PRO A 685 3.916 3.286 -3.491 1.00 40.31 H new ATOM 0 HB2 PRO A 685 3.130 4.185 -0.914 1.00 1.31 H new ATOM 0 HB3 PRO A 685 4.800 3.879 -1.346 1.00 1.31 H new ATOM 0 HG2 PRO A 685 3.319 6.485 -1.237 1.00 10.54 H new ATOM 0 HG3 PRO A 685 4.979 6.136 -0.793 1.00 10.54 H new ATOM 0 HD2 PRO A 685 4.382 7.372 -3.132 1.00 54.14 H new ATOM 0 HD3 PRO A 685 5.745 6.277 -3.011 1.00 54.14 H new ATOM 413 N MET A 686 1.167 4.996 -2.889 1.00 74.34 N ATOM 414 CA MET A 686 -0.296 4.826 -2.857 1.00 24.05 C ATOM 415 C MET A 686 -0.942 4.827 -4.251 1.00 51.33 C ATOM 416 O MET A 686 -2.106 4.450 -4.393 1.00 44.22 O ATOM 417 CB MET A 686 -0.956 5.907 -2.001 1.00 12.41 C ATOM 418 CG MET A 686 -0.720 5.737 -0.511 1.00 4.44 C ATOM 419 SD MET A 686 -1.796 6.795 0.470 1.00 61.30 S ATOM 420 CE MET A 686 -3.407 6.276 -0.128 1.00 4.32 C ATOM 0 H MET A 686 1.492 5.941 -2.685 1.00 74.34 H new ATOM 0 HA MET A 686 -0.464 3.843 -2.416 1.00 24.05 H new ATOM 0 HB2 MET A 686 -0.580 6.882 -2.310 1.00 12.41 H new ATOM 0 HB3 MET A 686 -2.029 5.904 -2.192 1.00 12.41 H new ATOM 0 HG2 MET A 686 -0.886 4.696 -0.235 1.00 4.44 H new ATOM 0 HG3 MET A 686 0.321 5.966 -0.281 1.00 4.44 H new ATOM 0 HE1 MET A 686 -4.134 6.341 0.682 1.00 4.32 H new ATOM 0 HE2 MET A 686 -3.717 6.925 -0.947 1.00 4.32 H new ATOM 0 HE3 MET A 686 -3.349 5.247 -0.482 1.00 4.32 H new ATOM 430 N ALA A 687 -0.196 5.228 -5.278 1.00 5.24 N ATOM 431 CA ALA A 687 -0.748 5.292 -6.640 1.00 14.24 C ATOM 432 C ALA A 687 -1.107 3.901 -7.167 1.00 21.54 C ATOM 433 O ALA A 687 -1.917 3.763 -8.084 1.00 52.43 O ATOM 434 CB ALA A 687 0.225 5.980 -7.590 1.00 32.43 C ATOM 0 H ALA A 687 0.781 5.511 -5.201 1.00 5.24 H new ATOM 0 HA ALA A 687 -1.664 5.881 -6.591 1.00 14.24 H new ATOM 0 HB1 ALA A 687 -0.206 6.015 -8.590 1.00 32.43 H new ATOM 0 HB2 ALA A 687 0.417 6.995 -7.242 1.00 32.43 H new ATOM 0 HB3 ALA A 687 1.162 5.423 -7.618 1.00 32.43 H new ATOM 440 N GLU A 688 -0.508 2.868 -6.583 1.00 4.31 N ATOM 441 CA GLU A 688 -0.749 1.493 -7.022 1.00 23.30 C ATOM 442 C GLU A 688 -1.609 0.700 -6.019 1.00 74.43 C ATOM 443 O GLU A 688 -1.917 -0.473 -6.248 1.00 63.51 O ATOM 444 CB GLU A 688 0.588 0.778 -7.266 1.00 21.45 C ATOM 445 CG GLU A 688 1.478 1.492 -8.281 1.00 51.42 C ATOM 446 CD GLU A 688 2.768 0.746 -8.573 1.00 13.31 C ATOM 447 OE1 GLU A 688 2.764 -0.135 -9.458 1.00 4.14 O ATOM 448 OE2 GLU A 688 3.796 1.046 -7.932 1.00 65.13 O ATOM 0 H GLU A 688 0.147 2.954 -5.806 1.00 4.31 H new ATOM 0 HA GLU A 688 -1.311 1.541 -7.955 1.00 23.30 H new ATOM 0 HB2 GLU A 688 1.124 0.692 -6.321 1.00 21.45 H new ATOM 0 HB3 GLU A 688 0.392 -0.236 -7.615 1.00 21.45 H new ATOM 0 HG2 GLU A 688 0.924 1.625 -9.210 1.00 51.42 H new ATOM 0 HG3 GLU A 688 1.718 2.488 -7.908 1.00 51.42 H new ATOM 455 N VAL A 689 -2.025 1.342 -4.925 1.00 51.24 N ATOM 456 CA VAL A 689 -2.807 0.663 -3.881 1.00 32.24 C ATOM 457 C VAL A 689 -4.315 0.961 -4.019 1.00 50.03 C ATOM 458 O VAL A 689 -4.706 2.020 -4.517 1.00 3.34 O ATOM 459 CB VAL A 689 -2.314 1.072 -2.466 1.00 74.12 C ATOM 460 CG1 VAL A 689 -3.008 0.248 -1.380 1.00 43.42 C ATOM 461 CG2 VAL A 689 -0.796 0.927 -2.363 1.00 63.23 C ATOM 0 H VAL A 689 -1.836 2.326 -4.736 1.00 51.24 H new ATOM 0 HA VAL A 689 -2.658 -0.409 -4.011 1.00 32.24 H new ATOM 0 HB VAL A 689 -2.573 2.119 -2.310 1.00 74.12 H new ATOM 0 HG11 VAL A 689 -2.643 0.556 -0.400 1.00 43.42 H new ATOM 0 HG12 VAL A 689 -4.085 0.409 -1.433 1.00 43.42 H new ATOM 0 HG13 VAL A 689 -2.792 -0.809 -1.532 1.00 43.42 H new ATOM 0 HG21 VAL A 689 -0.470 1.218 -1.365 1.00 63.23 H new ATOM 0 HG22 VAL A 689 -0.516 -0.110 -2.548 1.00 63.23 H new ATOM 0 HG23 VAL A 689 -0.318 1.569 -3.103 1.00 63.23 H new ATOM 471 N LEU A 690 -5.156 0.020 -3.582 1.00 5.53 N ATOM 472 CA LEU A 690 -6.619 0.155 -3.697 1.00 72.52 C ATOM 473 C LEU A 690 -7.333 -0.547 -2.525 1.00 12.02 C ATOM 474 O LEU A 690 -6.856 -1.563 -2.022 1.00 71.34 O ATOM 475 CB LEU A 690 -7.074 -0.421 -5.058 1.00 42.45 C ATOM 476 CG LEU A 690 -8.591 -0.395 -5.353 1.00 13.31 C ATOM 477 CD1 LEU A 690 -8.847 -0.272 -6.853 1.00 30.35 C ATOM 478 CD2 LEU A 690 -9.277 -1.652 -4.812 1.00 53.31 C ATOM 0 H LEU A 690 -4.852 -0.849 -3.143 1.00 5.53 H new ATOM 0 HA LEU A 690 -6.889 1.210 -3.649 1.00 72.52 H new ATOM 0 HB2 LEU A 690 -6.565 0.131 -5.848 1.00 42.45 H new ATOM 0 HB3 LEU A 690 -6.733 -1.454 -5.121 1.00 42.45 H new ATOM 0 HG LEU A 690 -9.011 0.475 -4.849 1.00 13.31 H new ATOM 0 HD11 LEU A 690 -9.921 -0.256 -7.039 1.00 30.35 H new ATOM 0 HD12 LEU A 690 -8.400 0.651 -7.224 1.00 30.35 H new ATOM 0 HD13 LEU A 690 -8.403 -1.123 -7.369 1.00 30.35 H new ATOM 0 HD21 LEU A 690 -10.343 -1.608 -5.033 1.00 53.31 H new ATOM 0 HD22 LEU A 690 -8.845 -2.534 -5.284 1.00 53.31 H new ATOM 0 HD23 LEU A 690 -9.132 -1.710 -3.733 1.00 53.31 H new ATOM 490 N ALA A 691 -8.475 -0.001 -2.088 1.00 51.11 N ATOM 491 CA ALA A 691 -9.248 -0.600 -0.985 1.00 20.23 C ATOM 492 C ALA A 691 -10.764 -0.414 -1.176 1.00 12.32 C ATOM 493 O ALA A 691 -11.241 0.699 -1.390 1.00 42.35 O ATOM 494 CB ALA A 691 -8.806 -0.011 0.350 1.00 52.42 C ATOM 0 H ALA A 691 -8.885 0.849 -2.476 1.00 51.11 H new ATOM 0 HA ALA A 691 -9.048 -1.671 -0.989 1.00 20.23 H new ATOM 0 HB1 ALA A 691 -9.385 -0.462 1.156 1.00 52.42 H new ATOM 0 HB2 ALA A 691 -7.747 -0.216 0.505 1.00 52.42 H new ATOM 0 HB3 ALA A 691 -8.970 1.067 0.344 1.00 52.42 H new ATOM 500 N ILE A 692 -11.519 -1.514 -1.081 1.00 52.24 N ATOM 501 CA ILE A 692 -12.980 -1.499 -1.288 1.00 20.32 C ATOM 502 C ILE A 692 -13.722 -2.291 -0.188 1.00 11.11 C ATOM 503 O ILE A 692 -13.326 -3.402 0.155 1.00 42.34 O ATOM 504 CB ILE A 692 -13.352 -2.114 -2.670 1.00 10.11 C ATOM 505 CG1 ILE A 692 -12.692 -1.336 -3.822 1.00 54.42 C ATOM 506 CG2 ILE A 692 -14.870 -2.164 -2.858 1.00 20.35 C ATOM 507 CD1 ILE A 692 -13.153 0.100 -3.946 1.00 63.23 C ATOM 0 H ILE A 692 -11.142 -2.436 -0.860 1.00 52.24 H new ATOM 0 HA ILE A 692 -13.289 -0.454 -1.248 1.00 20.32 H new ATOM 0 HB ILE A 692 -12.971 -3.135 -2.688 1.00 10.11 H new ATOM 0 HG12 ILE A 692 -11.611 -1.348 -3.681 1.00 54.42 H new ATOM 0 HG13 ILE A 692 -12.897 -1.854 -4.759 1.00 54.42 H new ATOM 0 HG21 ILE A 692 -15.102 -2.598 -3.831 1.00 20.35 H new ATOM 0 HG22 ILE A 692 -15.314 -2.776 -2.073 1.00 20.35 H new ATOM 0 HG23 ILE A 692 -15.277 -1.154 -2.805 1.00 20.35 H new ATOM 0 HD11 ILE A 692 -12.640 0.576 -4.781 1.00 63.23 H new ATOM 0 HD12 ILE A 692 -14.229 0.123 -4.120 1.00 63.23 H new ATOM 0 HD13 ILE A 692 -12.923 0.637 -3.026 1.00 63.23 H new ATOM 519 N ASP A 693 -14.801 -1.721 0.360 1.00 20.40 N ATOM 520 CA ASP A 693 -15.667 -2.441 1.312 1.00 51.13 C ATOM 521 C ASP A 693 -17.005 -2.826 0.658 1.00 63.42 C ATOM 522 O ASP A 693 -17.553 -2.075 -0.150 1.00 5.20 O ATOM 523 CB ASP A 693 -15.931 -1.597 2.566 1.00 43.34 C ATOM 524 CG ASP A 693 -16.784 -2.329 3.594 1.00 45.52 C ATOM 525 OD1 ASP A 693 -16.286 -3.272 4.231 1.00 11.01 O ATOM 526 OD2 ASP A 693 -17.970 -1.982 3.767 1.00 10.32 O ATOM 0 H ASP A 693 -15.098 -0.765 0.164 1.00 20.40 H new ATOM 0 HA ASP A 693 -15.142 -3.350 1.605 1.00 51.13 H new ATOM 0 HB2 ASP A 693 -14.980 -1.319 3.020 1.00 43.34 H new ATOM 0 HB3 ASP A 693 -16.429 -0.671 2.278 1.00 43.34 H new ATOM 531 N LYS A 694 -17.530 -3.988 1.038 1.00 10.34 N ATOM 532 CA LYS A 694 -18.778 -4.512 0.473 1.00 4.50 C ATOM 533 C LYS A 694 -19.965 -3.555 0.701 1.00 14.10 C ATOM 534 O LYS A 694 -20.804 -3.374 -0.183 1.00 75.10 O ATOM 535 CB LYS A 694 -19.073 -5.891 1.084 1.00 70.53 C ATOM 536 CG LYS A 694 -20.283 -6.607 0.488 1.00 53.22 C ATOM 537 CD LYS A 694 -20.413 -8.026 1.038 1.00 33.43 C ATOM 538 CE LYS A 694 -21.595 -8.780 0.433 1.00 61.43 C ATOM 539 NZ LYS A 694 -22.904 -8.194 0.831 1.00 70.11 N ATOM 0 H LYS A 694 -17.108 -4.593 1.742 1.00 10.34 H new ATOM 0 HA LYS A 694 -18.649 -4.606 -0.605 1.00 4.50 H new ATOM 0 HB2 LYS A 694 -18.195 -6.524 0.958 1.00 70.53 H new ATOM 0 HB3 LYS A 694 -19.230 -5.772 2.156 1.00 70.53 H new ATOM 0 HG2 LYS A 694 -21.189 -6.043 0.712 1.00 53.22 H new ATOM 0 HG3 LYS A 694 -20.189 -6.642 -0.597 1.00 53.22 H new ATOM 0 HD2 LYS A 694 -19.494 -8.576 0.837 1.00 33.43 H new ATOM 0 HD3 LYS A 694 -20.529 -7.984 2.121 1.00 33.43 H new ATOM 0 HE2 LYS A 694 -21.511 -8.771 -0.654 1.00 61.43 H new ATOM 0 HE3 LYS A 694 -21.556 -9.823 0.747 1.00 61.43 H new ATOM 0 HZ1 LYS A 694 -23.676 -8.779 0.452 1.00 70.11 H new ATOM 0 HZ2 LYS A 694 -22.970 -8.164 1.868 1.00 70.11 H new ATOM 0 HZ3 LYS A 694 -22.982 -7.229 0.451 1.00 70.11 H new ATOM 553 N GLU A 695 -20.031 -2.946 1.885 1.00 62.54 N ATOM 554 CA GLU A 695 -21.141 -2.038 2.228 1.00 3.50 C ATOM 555 C GLU A 695 -20.923 -0.613 1.689 1.00 14.51 C ATOM 556 O GLU A 695 -21.759 -0.075 0.962 1.00 73.23 O ATOM 557 CB GLU A 695 -21.284 -1.936 3.749 1.00 2.45 C ATOM 558 CG GLU A 695 -21.318 -3.267 4.482 1.00 34.11 C ATOM 559 CD GLU A 695 -21.060 -3.086 5.966 1.00 12.33 C ATOM 560 OE1 GLU A 695 -19.999 -2.519 6.307 1.00 31.33 O ATOM 561 OE2 GLU A 695 -21.894 -3.506 6.789 1.00 4.24 O ATOM 0 H GLU A 695 -19.336 -3.060 2.623 1.00 62.54 H new ATOM 0 HA GLU A 695 -22.036 -2.459 1.769 1.00 3.50 H new ATOM 0 HB2 GLU A 695 -20.455 -1.345 4.138 1.00 2.45 H new ATOM 0 HB3 GLU A 695 -22.199 -1.389 3.977 1.00 2.45 H new ATOM 0 HG2 GLU A 695 -22.288 -3.741 4.335 1.00 34.11 H new ATOM 0 HG3 GLU A 695 -20.569 -3.936 4.059 1.00 34.11 H new ATOM 568 N ASP A 696 -19.791 -0.011 2.055 1.00 1.31 N ATOM 569 CA ASP A 696 -19.548 1.417 1.801 1.00 52.25 C ATOM 570 C ASP A 696 -19.118 1.690 0.352 1.00 74.35 C ATOM 571 O ASP A 696 -19.653 2.582 -0.311 1.00 22.24 O ATOM 572 CB ASP A 696 -18.482 1.946 2.770 1.00 62.53 C ATOM 573 CG ASP A 696 -18.345 3.457 2.712 1.00 61.21 C ATOM 574 OD1 ASP A 696 -19.224 4.155 3.262 1.00 73.32 O ATOM 575 OD2 ASP A 696 -17.364 3.964 2.121 1.00 5.22 O ATOM 0 H ASP A 696 -19.024 -0.488 2.529 1.00 1.31 H new ATOM 0 HA ASP A 696 -20.491 1.939 1.963 1.00 52.25 H new ATOM 0 HB2 ASP A 696 -18.738 1.646 3.786 1.00 62.53 H new ATOM 0 HB3 ASP A 696 -17.522 1.488 2.535 1.00 62.53 H new ATOM 580 N GLY A 697 -18.154 0.920 -0.133 1.00 25.11 N ATOM 581 CA GLY A 697 -17.618 1.144 -1.469 1.00 41.53 C ATOM 582 C GLY A 697 -16.117 1.393 -1.463 1.00 24.41 C ATOM 583 O GLY A 697 -15.341 0.502 -1.136 1.00 12.52 O ATOM 0 H GLY A 697 -17.730 0.142 0.372 1.00 25.11 H new ATOM 0 HA2 GLY A 697 -17.836 0.278 -2.094 1.00 41.53 H new ATOM 0 HA3 GLY A 697 -18.123 1.998 -1.920 1.00 41.53 H new ATOM 587 N ASP A 698 -15.697 2.612 -1.798 1.00 1.51 N ATOM 588 CA ASP A 698 -14.267 2.923 -1.899 1.00 41.21 C ATOM 589 C ASP A 698 -13.674 3.363 -0.548 1.00 13.54 C ATOM 590 O ASP A 698 -14.062 4.390 0.014 1.00 71.21 O ATOM 591 CB ASP A 698 -14.033 4.008 -2.954 1.00 10.20 C ATOM 592 CG ASP A 698 -12.562 4.156 -3.301 1.00 31.24 C ATOM 593 OD1 ASP A 698 -11.830 4.830 -2.549 1.00 24.42 O ATOM 594 OD2 ASP A 698 -12.128 3.583 -4.318 1.00 4.24 O ATOM 0 H ASP A 698 -16.317 3.395 -2.003 1.00 1.51 H new ATOM 0 HA ASP A 698 -13.756 2.008 -2.200 1.00 41.21 H new ATOM 0 HB2 ASP A 698 -14.595 3.765 -3.855 1.00 10.20 H new ATOM 0 HB3 ASP A 698 -14.416 4.960 -2.586 1.00 10.20 H new ATOM 599 N LEU A 699 -12.727 2.580 -0.037 1.00 41.30 N ATOM 600 CA LEU A 699 -12.011 2.920 1.200 1.00 75.42 C ATOM 601 C LEU A 699 -10.531 3.236 0.921 1.00 44.32 C ATOM 602 O LEU A 699 -9.698 3.189 1.828 1.00 30.31 O ATOM 603 CB LEU A 699 -12.104 1.772 2.214 1.00 3.44 C ATOM 604 CG LEU A 699 -13.519 1.415 2.693 1.00 63.14 C ATOM 605 CD1 LEU A 699 -13.457 0.372 3.801 1.00 41.13 C ATOM 606 CD2 LEU A 699 -14.271 2.656 3.164 1.00 34.23 C ATOM 0 H LEU A 699 -12.433 1.700 -0.460 1.00 41.30 H new ATOM 0 HA LEU A 699 -12.486 3.809 1.616 1.00 75.42 H new ATOM 0 HB2 LEU A 699 -11.656 0.883 1.770 1.00 3.44 H new ATOM 0 HB3 LEU A 699 -11.501 2.031 3.084 1.00 3.44 H new ATOM 0 HG LEU A 699 -14.066 0.994 1.849 1.00 63.14 H new ATOM 0 HD11 LEU A 699 -14.468 0.130 4.130 1.00 41.13 H new ATOM 0 HD12 LEU A 699 -12.972 -0.529 3.426 1.00 41.13 H new ATOM 0 HD13 LEU A 699 -12.887 0.768 4.642 1.00 41.13 H new ATOM 0 HD21 LEU A 699 -15.269 2.372 3.497 1.00 34.23 H new ATOM 0 HD22 LEU A 699 -13.730 3.117 3.990 1.00 34.23 H new ATOM 0 HD23 LEU A 699 -14.351 3.367 2.341 1.00 34.23 H new ATOM 618 N THR A 700 -10.215 3.588 -0.327 1.00 41.11 N ATOM 619 CA THR A 700 -8.826 3.875 -0.728 1.00 70.04 C ATOM 620 C THR A 700 -8.233 5.046 0.079 1.00 63.03 C ATOM 621 O THR A 700 -7.019 5.134 0.269 1.00 52.13 O ATOM 622 CB THR A 700 -8.727 4.190 -2.245 1.00 23.14 C ATOM 623 OG1 THR A 700 -9.349 3.141 -3.007 1.00 1.11 O ATOM 624 CG2 THR A 700 -7.273 4.333 -2.693 1.00 13.12 C ATOM 0 H THR A 700 -10.897 3.682 -1.080 1.00 41.11 H new ATOM 0 HA THR A 700 -8.248 2.976 -0.516 1.00 70.04 H new ATOM 0 HB THR A 700 -9.240 5.136 -2.419 1.00 23.14 H new ATOM 0 HG1 THR A 700 -9.284 3.348 -3.963 1.00 1.11 H new ATOM 0 HG21 THR A 700 -7.241 4.553 -3.760 1.00 13.12 H new ATOM 0 HG22 THR A 700 -6.800 5.145 -2.141 1.00 13.12 H new ATOM 0 HG23 THR A 700 -6.739 3.403 -2.498 1.00 13.12 H new ATOM 632 N SER A 701 -9.098 5.936 0.570 1.00 64.23 N ATOM 633 CA SER A 701 -8.659 7.066 1.409 1.00 61.23 C ATOM 634 C SER A 701 -8.466 6.636 2.875 1.00 52.22 C ATOM 635 O SER A 701 -7.787 7.309 3.653 1.00 40.34 O ATOM 636 CB SER A 701 -9.670 8.217 1.334 1.00 71.51 C ATOM 637 OG SER A 701 -9.248 9.330 2.110 1.00 2.10 O ATOM 0 H SER A 701 -10.104 5.901 0.405 1.00 64.23 H new ATOM 0 HA SER A 701 -7.698 7.407 1.023 1.00 61.23 H new ATOM 0 HB2 SER A 701 -9.798 8.523 0.296 1.00 71.51 H new ATOM 0 HB3 SER A 701 -10.642 7.873 1.687 1.00 71.51 H new ATOM 0 HG SER A 701 -9.912 10.048 2.041 1.00 2.10 H new ATOM 643 N LYS A 702 -9.056 5.497 3.239 1.00 30.35 N ATOM 644 CA LYS A 702 -8.952 4.957 4.605 1.00 65.52 C ATOM 645 C LYS A 702 -7.642 4.172 4.814 1.00 63.54 C ATOM 646 O LYS A 702 -7.416 3.599 5.881 1.00 63.32 O ATOM 647 CB LYS A 702 -10.150 4.039 4.896 1.00 15.43 C ATOM 648 CG LYS A 702 -11.505 4.747 4.906 1.00 62.03 C ATOM 649 CD LYS A 702 -11.639 5.701 6.092 1.00 12.24 C ATOM 650 CE LYS A 702 -13.042 6.297 6.193 1.00 62.45 C ATOM 651 NZ LYS A 702 -13.401 7.111 5.000 1.00 12.33 N ATOM 0 H LYS A 702 -9.615 4.924 2.607 1.00 30.35 H new ATOM 0 HA LYS A 702 -8.952 5.802 5.293 1.00 65.52 H new ATOM 0 HB2 LYS A 702 -10.174 3.247 4.148 1.00 15.43 H new ATOM 0 HB3 LYS A 702 -9.998 3.560 5.863 1.00 15.43 H new ATOM 0 HG2 LYS A 702 -11.631 5.303 3.977 1.00 62.03 H new ATOM 0 HG3 LYS A 702 -12.302 4.005 4.945 1.00 62.03 H new ATOM 0 HD2 LYS A 702 -11.404 5.168 7.014 1.00 12.24 H new ATOM 0 HD3 LYS A 702 -10.910 6.505 5.994 1.00 12.24 H new ATOM 0 HE2 LYS A 702 -13.768 5.492 6.312 1.00 62.45 H new ATOM 0 HE3 LYS A 702 -13.106 6.919 7.086 1.00 62.45 H new ATOM 0 HZ1 LYS A 702 -14.341 7.535 5.139 1.00 12.33 H new ATOM 0 HZ2 LYS A 702 -12.697 7.865 4.870 1.00 12.33 H new ATOM 0 HZ3 LYS A 702 -13.417 6.503 4.157 1.00 12.33 H new ATOM 665 N ILE A 703 -6.790 4.148 3.791 1.00 4.13 N ATOM 666 CA ILE A 703 -5.532 3.392 3.833 1.00 24.34 C ATOM 667 C ILE A 703 -4.434 4.120 4.636 1.00 32.23 C ATOM 668 O ILE A 703 -4.270 5.338 4.539 1.00 55.33 O ATOM 669 CB ILE A 703 -5.016 3.099 2.399 1.00 10.40 C ATOM 670 CG1 ILE A 703 -6.065 2.294 1.613 1.00 63.23 C ATOM 671 CG2 ILE A 703 -3.682 2.350 2.440 1.00 73.44 C ATOM 672 CD1 ILE A 703 -5.681 2.029 0.171 1.00 62.43 C ATOM 0 H ILE A 703 -6.947 4.646 2.915 1.00 4.13 H new ATOM 0 HA ILE A 703 -5.752 2.453 4.341 1.00 24.34 H new ATOM 0 HB ILE A 703 -4.851 4.050 1.892 1.00 10.40 H new ATOM 0 HG12 ILE A 703 -6.229 1.341 2.116 1.00 63.23 H new ATOM 0 HG13 ILE A 703 -7.012 2.833 1.633 1.00 63.23 H new ATOM 0 HG21 ILE A 703 -3.342 2.157 1.423 1.00 73.44 H new ATOM 0 HG22 ILE A 703 -2.941 2.955 2.962 1.00 73.44 H new ATOM 0 HG23 ILE A 703 -3.812 1.404 2.965 1.00 73.44 H new ATOM 0 HD11 ILE A 703 -6.470 1.457 -0.316 1.00 62.43 H new ATOM 0 HD12 ILE A 703 -5.546 2.977 -0.350 1.00 62.43 H new ATOM 0 HD13 ILE A 703 -4.750 1.462 0.141 1.00 62.43 H new ATOM 684 N LYS A 704 -3.690 3.352 5.426 1.00 65.53 N ATOM 685 CA LYS A 704 -2.575 3.868 6.232 1.00 52.21 C ATOM 686 C LYS A 704 -1.234 3.476 5.597 1.00 13.35 C ATOM 687 O LYS A 704 -1.079 2.350 5.123 1.00 25.43 O ATOM 688 CB LYS A 704 -2.669 3.283 7.646 1.00 42.04 C ATOM 689 CG LYS A 704 -1.670 3.865 8.640 1.00 50.11 C ATOM 690 CD LYS A 704 -1.730 3.145 9.987 1.00 4.13 C ATOM 691 CE LYS A 704 -3.144 3.121 10.564 1.00 32.04 C ATOM 692 NZ LYS A 704 -3.688 4.484 10.789 1.00 40.21 N ATOM 0 H LYS A 704 -3.840 2.348 5.530 1.00 65.53 H new ATOM 0 HA LYS A 704 -2.634 4.956 6.276 1.00 52.21 H new ATOM 0 HB2 LYS A 704 -3.677 3.446 8.026 1.00 42.04 H new ATOM 0 HB3 LYS A 704 -2.520 2.205 7.590 1.00 42.04 H new ATOM 0 HG2 LYS A 704 -0.663 3.789 8.231 1.00 50.11 H new ATOM 0 HG3 LYS A 704 -1.876 4.926 8.784 1.00 50.11 H new ATOM 0 HD2 LYS A 704 -1.370 2.123 9.867 1.00 4.13 H new ATOM 0 HD3 LYS A 704 -1.060 3.638 10.691 1.00 4.13 H new ATOM 0 HE2 LYS A 704 -3.801 2.578 9.885 1.00 32.04 H new ATOM 0 HE3 LYS A 704 -3.139 2.575 11.507 1.00 32.04 H new ATOM 0 HZ1 LYS A 704 -4.613 4.415 11.259 1.00 40.21 H new ATOM 0 HZ2 LYS A 704 -3.034 5.024 11.390 1.00 40.21 H new ATOM 0 HZ3 LYS A 704 -3.799 4.969 9.876 1.00 40.21 H new ATOM 706 N VAL A 705 -0.263 4.391 5.592 1.00 15.55 N ATOM 707 CA VAL A 705 1.039 4.126 4.960 1.00 73.45 C ATOM 708 C VAL A 705 2.193 4.117 5.977 1.00 51.45 C ATOM 709 O VAL A 705 2.554 5.153 6.543 1.00 30.51 O ATOM 710 CB VAL A 705 1.351 5.165 3.851 1.00 54.41 C ATOM 711 CG1 VAL A 705 2.705 4.875 3.200 1.00 11.42 C ATOM 712 CG2 VAL A 705 0.238 5.183 2.805 1.00 51.02 C ATOM 0 H VAL A 705 -0.348 5.316 6.014 1.00 15.55 H new ATOM 0 HA VAL A 705 0.961 3.133 4.518 1.00 73.45 H new ATOM 0 HB VAL A 705 1.403 6.152 4.311 1.00 54.41 H new ATOM 0 HG11 VAL A 705 2.903 5.616 2.426 1.00 11.42 H new ATOM 0 HG12 VAL A 705 3.489 4.922 3.955 1.00 11.42 H new ATOM 0 HG13 VAL A 705 2.689 3.880 2.755 1.00 11.42 H new ATOM 0 HG21 VAL A 705 0.474 5.918 2.035 1.00 51.02 H new ATOM 0 HG22 VAL A 705 0.150 4.196 2.350 1.00 51.02 H new ATOM 0 HG23 VAL A 705 -0.706 5.448 3.282 1.00 51.02 H new ATOM 722 N ASP A 706 2.764 2.938 6.204 1.00 14.21 N ATOM 723 CA ASP A 706 3.952 2.796 7.047 1.00 53.21 C ATOM 724 C ASP A 706 5.191 2.495 6.188 1.00 42.31 C ATOM 725 O ASP A 706 5.154 1.629 5.310 1.00 51.43 O ATOM 726 CB ASP A 706 3.741 1.691 8.085 1.00 62.32 C ATOM 727 CG ASP A 706 4.979 1.446 8.932 1.00 55.42 C ATOM 728 OD1 ASP A 706 5.280 2.278 9.814 1.00 51.10 O ATOM 729 OD2 ASP A 706 5.658 0.420 8.720 1.00 23.31 O ATOM 0 H ASP A 706 2.422 2.060 5.814 1.00 14.21 H new ATOM 0 HA ASP A 706 4.117 3.738 7.571 1.00 53.21 H new ATOM 0 HB2 ASP A 706 2.908 1.961 8.734 1.00 62.32 H new ATOM 0 HB3 ASP A 706 3.463 0.767 7.577 1.00 62.32 H new ATOM 734 N GLY A 707 6.282 3.205 6.453 1.00 25.24 N ATOM 735 CA GLY A 707 7.487 3.056 5.645 1.00 75.42 C ATOM 736 C GLY A 707 7.480 3.961 4.416 1.00 2.24 C ATOM 737 O GLY A 707 6.440 4.503 4.038 1.00 61.53 O ATOM 0 H GLY A 707 6.357 3.882 7.212 1.00 25.24 H new ATOM 0 HA2 GLY A 707 8.361 3.284 6.255 1.00 75.42 H new ATOM 0 HA3 GLY A 707 7.582 2.018 5.327 1.00 75.42 H new ATOM 741 N GLU A 708 8.638 4.121 3.778 1.00 44.21 N ATOM 742 CA GLU A 708 8.748 4.983 2.599 1.00 52.10 C ATOM 743 C GLU A 708 9.984 4.623 1.763 1.00 62.32 C ATOM 744 O GLU A 708 10.998 4.166 2.291 1.00 52.31 O ATOM 745 CB GLU A 708 8.796 6.458 3.024 1.00 21.50 C ATOM 746 CG GLU A 708 8.570 7.434 1.874 1.00 52.11 C ATOM 747 CD GLU A 708 8.496 8.881 2.337 1.00 32.51 C ATOM 748 OE1 GLU A 708 7.789 9.157 3.331 1.00 64.51 O ATOM 749 OE2 GLU A 708 9.125 9.749 1.697 1.00 30.45 O ATOM 0 H GLU A 708 9.510 3.669 4.054 1.00 44.21 H new ATOM 0 HA GLU A 708 7.867 4.824 1.977 1.00 52.10 H new ATOM 0 HB2 GLU A 708 8.040 6.631 3.790 1.00 21.50 H new ATOM 0 HB3 GLU A 708 9.764 6.665 3.479 1.00 21.50 H new ATOM 0 HG2 GLU A 708 9.378 7.329 1.150 1.00 52.11 H new ATOM 0 HG3 GLU A 708 7.645 7.174 1.359 1.00 52.11 H new ATOM 756 N VAL A 709 9.881 4.820 0.452 1.00 3.42 N ATOM 757 CA VAL A 709 10.966 4.492 -0.480 1.00 13.22 C ATOM 758 C VAL A 709 11.824 5.724 -0.808 1.00 53.20 C ATOM 759 O VAL A 709 11.304 6.823 -1.016 1.00 11.21 O ATOM 760 CB VAL A 709 10.401 3.899 -1.800 1.00 31.12 C ATOM 761 CG1 VAL A 709 11.522 3.534 -2.774 1.00 64.32 C ATOM 762 CG2 VAL A 709 9.521 2.684 -1.513 1.00 43.02 C ATOM 0 H VAL A 709 9.051 5.208 0.004 1.00 3.42 H new ATOM 0 HA VAL A 709 11.594 3.750 0.013 1.00 13.22 H new ATOM 0 HB VAL A 709 9.788 4.667 -2.272 1.00 31.12 H new ATOM 0 HG11 VAL A 709 11.091 3.122 -3.687 1.00 64.32 H new ATOM 0 HG12 VAL A 709 12.099 4.427 -3.016 1.00 64.32 H new ATOM 0 HG13 VAL A 709 12.176 2.793 -2.315 1.00 64.32 H new ATOM 0 HG21 VAL A 709 9.136 2.284 -2.451 1.00 43.02 H new ATOM 0 HG22 VAL A 709 10.110 1.919 -1.007 1.00 43.02 H new ATOM 0 HG23 VAL A 709 8.688 2.980 -0.875 1.00 43.02 H new ATOM 772 N ASP A 710 13.137 5.532 -0.839 1.00 73.32 N ATOM 773 CA ASP A 710 14.066 6.588 -1.239 1.00 24.42 C ATOM 774 C ASP A 710 14.600 6.318 -2.659 1.00 74.25 C ATOM 775 O ASP A 710 14.949 5.184 -2.993 1.00 62.10 O ATOM 776 CB ASP A 710 15.215 6.672 -0.230 1.00 65.52 C ATOM 777 CG ASP A 710 16.220 7.743 -0.598 1.00 11.30 C ATOM 778 OD1 ASP A 710 15.958 8.929 -0.319 1.00 72.14 O ATOM 779 OD2 ASP A 710 17.260 7.402 -1.190 1.00 30.54 O ATOM 0 H ASP A 710 13.587 4.651 -0.591 1.00 73.32 H new ATOM 0 HA ASP A 710 13.542 7.544 -1.251 1.00 24.42 H new ATOM 0 HB2 ASP A 710 14.812 6.879 0.761 1.00 65.52 H new ATOM 0 HB3 ASP A 710 15.719 5.707 -0.174 1.00 65.52 H new ATOM 784 N THR A 711 14.665 7.362 -3.486 1.00 60.42 N ATOM 785 CA THR A 711 15.039 7.207 -4.902 1.00 12.05 C ATOM 786 C THR A 711 16.443 7.749 -5.210 1.00 21.31 C ATOM 787 O THR A 711 16.840 7.832 -6.375 1.00 74.12 O ATOM 788 CB THR A 711 14.020 7.911 -5.829 1.00 61.23 C ATOM 789 OG1 THR A 711 13.943 9.311 -5.515 1.00 34.32 O ATOM 790 CG2 THR A 711 12.632 7.285 -5.700 1.00 11.11 C ATOM 0 H THR A 711 14.465 8.322 -3.206 1.00 60.42 H new ATOM 0 HA THR A 711 15.037 6.134 -5.092 1.00 12.05 H new ATOM 0 HB THR A 711 14.365 7.786 -6.855 1.00 61.23 H new ATOM 0 HG1 THR A 711 13.296 9.745 -6.110 1.00 34.32 H new ATOM 0 HG21 THR A 711 11.937 7.800 -6.363 1.00 11.11 H new ATOM 0 HG22 THR A 711 12.681 6.231 -5.974 1.00 11.11 H new ATOM 0 HG23 THR A 711 12.286 7.376 -4.670 1.00 11.11 H new ATOM 798 N THR A 712 17.203 8.111 -4.175 1.00 50.55 N ATOM 799 CA THR A 712 18.590 8.577 -4.364 1.00 33.11 C ATOM 800 C THR A 712 19.606 7.575 -3.795 1.00 30.42 C ATOM 801 O THR A 712 20.810 7.700 -4.029 1.00 41.12 O ATOM 802 CB THR A 712 18.838 9.983 -3.741 1.00 25.43 C ATOM 803 OG1 THR A 712 20.211 10.387 -3.918 1.00 41.32 O ATOM 804 CG2 THR A 712 18.500 10.005 -2.258 1.00 5.22 C ATOM 0 H THR A 712 16.891 8.093 -3.204 1.00 50.55 H new ATOM 0 HA THR A 712 18.733 8.656 -5.442 1.00 33.11 H new ATOM 0 HB THR A 712 18.182 10.682 -4.261 1.00 25.43 H new ATOM 0 HG1 THR A 712 20.759 9.602 -4.128 1.00 41.32 H new ATOM 0 HG21 THR A 712 18.685 11.002 -1.857 1.00 5.22 H new ATOM 0 HG22 THR A 712 17.450 9.748 -2.120 1.00 5.22 H new ATOM 0 HG23 THR A 712 19.123 9.281 -1.732 1.00 5.22 H new ATOM 812 N LYS A 713 19.117 6.577 -3.062 1.00 73.32 N ATOM 813 CA LYS A 713 19.973 5.522 -2.503 1.00 74.44 C ATOM 814 C LYS A 713 19.417 4.127 -2.842 1.00 20.02 C ATOM 815 O LYS A 713 18.224 3.868 -2.673 1.00 52.24 O ATOM 816 CB LYS A 713 20.075 5.684 -0.981 1.00 23.31 C ATOM 817 CG LYS A 713 21.167 4.844 -0.327 1.00 20.52 C ATOM 818 CD LYS A 713 21.134 4.975 1.196 1.00 44.53 C ATOM 819 CE LYS A 713 22.435 4.517 1.836 1.00 60.53 C ATOM 820 NZ LYS A 713 23.574 5.393 1.449 1.00 71.12 N ATOM 0 H LYS A 713 18.127 6.473 -2.838 1.00 73.32 H new ATOM 0 HA LYS A 713 20.965 5.615 -2.946 1.00 74.44 H new ATOM 0 HB2 LYS A 713 20.256 6.734 -0.751 1.00 23.31 H new ATOM 0 HB3 LYS A 713 19.116 5.421 -0.535 1.00 23.31 H new ATOM 0 HG2 LYS A 713 21.040 3.798 -0.607 1.00 20.52 H new ATOM 0 HG3 LYS A 713 22.142 5.158 -0.700 1.00 20.52 H new ATOM 0 HD2 LYS A 713 20.943 6.014 1.466 1.00 44.53 H new ATOM 0 HD3 LYS A 713 20.308 4.385 1.593 1.00 44.53 H new ATOM 0 HE2 LYS A 713 22.327 4.517 2.921 1.00 60.53 H new ATOM 0 HE3 LYS A 713 22.647 3.490 1.537 1.00 60.53 H new ATOM 0 HZ1 LYS A 713 24.341 5.293 2.145 1.00 71.12 H new ATOM 0 HZ2 LYS A 713 23.921 5.116 0.509 1.00 71.12 H new ATOM 0 HZ3 LYS A 713 23.257 6.383 1.423 1.00 71.12 H new ATOM 834 N ALA A 714 20.288 3.231 -3.305 1.00 4.23 N ATOM 835 CA ALA A 714 19.875 1.878 -3.701 1.00 23.43 C ATOM 836 C ALA A 714 19.653 0.960 -2.487 1.00 74.13 C ATOM 837 O ALA A 714 20.480 0.905 -1.571 1.00 32.31 O ATOM 838 CB ALA A 714 20.912 1.267 -4.635 1.00 60.43 C ATOM 0 H ALA A 714 21.285 3.414 -3.416 1.00 4.23 H new ATOM 0 HA ALA A 714 18.921 1.968 -4.221 1.00 23.43 H new ATOM 0 HB1 ALA A 714 20.597 0.264 -4.923 1.00 60.43 H new ATOM 0 HB2 ALA A 714 21.009 1.887 -5.526 1.00 60.43 H new ATOM 0 HB3 ALA A 714 21.874 1.212 -4.125 1.00 60.43 H new ATOM 844 N GLY A 715 18.542 0.229 -2.501 1.00 23.10 N ATOM 845 CA GLY A 715 18.211 -0.670 -1.401 1.00 72.34 C ATOM 846 C GLY A 715 16.781 -1.192 -1.473 1.00 41.31 C ATOM 847 O GLY A 715 16.033 -0.846 -2.386 1.00 52.30 O ATOM 0 H GLY A 715 17.859 0.241 -3.258 1.00 23.10 H new ATOM 0 HA2 GLY A 715 18.901 -1.514 -1.407 1.00 72.34 H new ATOM 0 HA3 GLY A 715 18.355 -0.147 -0.455 1.00 72.34 H new ATOM 851 N THR A 716 16.396 -2.025 -0.506 1.00 40.34 N ATOM 852 CA THR A 716 15.047 -2.614 -0.483 1.00 73.11 C ATOM 853 C THR A 716 14.191 -2.009 0.639 1.00 0.44 C ATOM 854 O THR A 716 14.551 -2.071 1.815 1.00 4.54 O ATOM 855 CB THR A 716 15.104 -4.151 -0.305 1.00 12.23 C ATOM 856 OG1 THR A 716 15.943 -4.731 -1.315 1.00 33.01 O ATOM 857 CG2 THR A 716 13.710 -4.774 -0.382 1.00 42.14 C ATOM 0 H THR A 716 16.993 -2.309 0.271 1.00 40.34 H new ATOM 0 HA THR A 716 14.589 -2.384 -1.445 1.00 73.11 H new ATOM 0 HB THR A 716 15.518 -4.357 0.682 1.00 12.23 H new ATOM 0 HG1 THR A 716 15.975 -5.703 -1.195 1.00 33.01 H new ATOM 0 HG21 THR A 716 13.786 -5.854 -0.253 1.00 42.14 H new ATOM 0 HG22 THR A 716 13.082 -4.358 0.406 1.00 42.14 H new ATOM 0 HG23 THR A 716 13.267 -4.555 -1.353 1.00 42.14 H new ATOM 865 N TYR A 717 13.047 -1.440 0.266 1.00 13.05 N ATOM 866 CA TYR A 717 12.154 -0.773 1.219 1.00 43.14 C ATOM 867 C TYR A 717 10.820 -1.526 1.345 1.00 25.44 C ATOM 868 O TYR A 717 10.129 -1.755 0.347 1.00 62.05 O ATOM 869 CB TYR A 717 11.906 0.675 0.765 1.00 70.41 C ATOM 870 CG TYR A 717 13.181 1.475 0.563 1.00 43.15 C ATOM 871 CD1 TYR A 717 13.856 1.456 -0.656 1.00 4.22 C ATOM 872 CD2 TYR A 717 13.716 2.243 1.592 1.00 22.24 C ATOM 873 CE1 TYR A 717 15.019 2.179 -0.842 1.00 1.31 C ATOM 874 CE2 TYR A 717 14.879 2.966 1.413 1.00 71.32 C ATOM 875 CZ TYR A 717 15.528 2.931 0.196 1.00 4.25 C ATOM 876 OH TYR A 717 16.691 3.651 0.019 1.00 32.05 O ATOM 0 H TYR A 717 12.712 -1.426 -0.697 1.00 13.05 H new ATOM 0 HA TYR A 717 12.631 -0.770 2.199 1.00 43.14 H new ATOM 0 HB2 TYR A 717 11.343 0.663 -0.168 1.00 70.41 H new ATOM 0 HB3 TYR A 717 11.285 1.178 1.506 1.00 70.41 H new ATOM 0 HD1 TYR A 717 13.463 0.865 -1.470 1.00 4.22 H new ATOM 0 HD2 TYR A 717 13.213 2.274 2.547 1.00 22.24 H new ATOM 0 HE1 TYR A 717 15.527 2.155 -1.795 1.00 1.31 H new ATOM 0 HE2 TYR A 717 15.279 3.557 2.223 1.00 71.32 H new ATOM 0 HH TYR A 717 16.996 3.557 -0.907 1.00 32.05 H new ATOM 886 N VAL A 718 10.466 -1.910 2.570 1.00 14.05 N ATOM 887 CA VAL A 718 9.222 -2.644 2.824 1.00 65.41 C ATOM 888 C VAL A 718 8.104 -1.696 3.286 1.00 21.43 C ATOM 889 O VAL A 718 8.182 -1.094 4.360 1.00 12.11 O ATOM 890 CB VAL A 718 9.430 -3.751 3.888 1.00 5.02 C ATOM 891 CG1 VAL A 718 8.142 -4.551 4.101 1.00 5.23 C ATOM 892 CG2 VAL A 718 10.584 -4.670 3.486 1.00 14.21 C ATOM 0 H VAL A 718 11.022 -1.726 3.405 1.00 14.05 H new ATOM 0 HA VAL A 718 8.927 -3.109 1.883 1.00 65.41 H new ATOM 0 HB VAL A 718 9.687 -3.274 4.834 1.00 5.02 H new ATOM 0 HG11 VAL A 718 8.313 -5.322 4.852 1.00 5.23 H new ATOM 0 HG12 VAL A 718 7.351 -3.883 4.440 1.00 5.23 H new ATOM 0 HG13 VAL A 718 7.845 -5.018 3.162 1.00 5.23 H new ATOM 0 HG21 VAL A 718 10.716 -5.441 4.245 1.00 14.21 H new ATOM 0 HG22 VAL A 718 10.359 -5.138 2.528 1.00 14.21 H new ATOM 0 HG23 VAL A 718 11.500 -4.086 3.399 1.00 14.21 H new ATOM 902 N LEU A 719 7.063 -1.568 2.466 1.00 22.13 N ATOM 903 CA LEU A 719 5.946 -0.664 2.760 1.00 13.32 C ATOM 904 C LEU A 719 4.728 -1.434 3.307 1.00 3.04 C ATOM 905 O LEU A 719 4.333 -2.459 2.752 1.00 31.14 O ATOM 906 CB LEU A 719 5.552 0.101 1.490 1.00 53.11 C ATOM 907 CG LEU A 719 6.711 0.811 0.763 1.00 21.21 C ATOM 908 CD1 LEU A 719 6.198 1.585 -0.447 1.00 43.24 C ATOM 909 CD2 LEU A 719 7.467 1.733 1.717 1.00 74.11 C ATOM 0 H LEU A 719 6.967 -2.080 1.589 1.00 22.13 H new ATOM 0 HA LEU A 719 6.271 0.039 3.527 1.00 13.32 H new ATOM 0 HB2 LEU A 719 5.083 -0.597 0.796 1.00 53.11 H new ATOM 0 HB3 LEU A 719 4.799 0.845 1.752 1.00 53.11 H new ATOM 0 HG LEU A 719 7.405 0.049 0.408 1.00 21.21 H new ATOM 0 HD11 LEU A 719 7.033 2.078 -0.944 1.00 43.24 H new ATOM 0 HD12 LEU A 719 5.717 0.897 -1.142 1.00 43.24 H new ATOM 0 HD13 LEU A 719 5.477 2.334 -0.121 1.00 43.24 H new ATOM 0 HD21 LEU A 719 8.280 2.223 1.181 1.00 74.11 H new ATOM 0 HD22 LEU A 719 6.785 2.487 2.111 1.00 74.11 H new ATOM 0 HD23 LEU A 719 7.876 1.148 2.541 1.00 74.11 H new ATOM 921 N THR A 720 4.144 -0.935 4.395 1.00 45.02 N ATOM 922 CA THR A 720 2.947 -1.550 4.995 1.00 60.12 C ATOM 923 C THR A 720 1.705 -0.671 4.799 1.00 51.14 C ATOM 924 O THR A 720 1.712 0.515 5.123 1.00 40.13 O ATOM 925 CB THR A 720 3.142 -1.814 6.512 1.00 32.15 C ATOM 926 OG1 THR A 720 4.137 -2.830 6.712 1.00 12.10 O ATOM 927 CG2 THR A 720 1.838 -2.236 7.187 1.00 12.24 C ATOM 0 H THR A 720 4.477 -0.104 4.885 1.00 45.02 H new ATOM 0 HA THR A 720 2.798 -2.500 4.482 1.00 60.12 H new ATOM 0 HB THR A 720 3.471 -0.880 6.967 1.00 32.15 H new ATOM 0 HG1 THR A 720 4.542 -2.721 7.598 1.00 12.10 H new ATOM 0 HG21 THR A 720 2.017 -2.411 8.248 1.00 12.24 H new ATOM 0 HG22 THR A 720 1.096 -1.446 7.070 1.00 12.24 H new ATOM 0 HG23 THR A 720 1.469 -3.152 6.725 1.00 12.24 H new ATOM 935 N TYR A 721 0.636 -1.262 4.271 1.00 35.23 N ATOM 936 CA TYR A 721 -0.625 -0.543 4.053 1.00 3.32 C ATOM 937 C TYR A 721 -1.758 -1.166 4.878 1.00 31.12 C ATOM 938 O TYR A 721 -2.004 -2.368 4.798 1.00 72.31 O ATOM 939 CB TYR A 721 -0.988 -0.553 2.565 1.00 32.05 C ATOM 940 CG TYR A 721 0.109 0.009 1.682 1.00 54.24 C ATOM 941 CD1 TYR A 721 0.220 1.377 1.459 1.00 23.24 C ATOM 942 CD2 TYR A 721 1.040 -0.830 1.075 1.00 52.05 C ATOM 943 CE1 TYR A 721 1.223 1.888 0.659 1.00 53.22 C ATOM 944 CE2 TYR A 721 2.044 -0.324 0.277 1.00 41.12 C ATOM 945 CZ TYR A 721 2.130 1.033 0.071 1.00 20.50 C ATOM 946 OH TYR A 721 3.132 1.539 -0.720 1.00 13.25 O ATOM 0 H TYR A 721 0.614 -2.241 3.984 1.00 35.23 H new ATOM 0 HA TYR A 721 -0.492 0.489 4.379 1.00 3.32 H new ATOM 0 HB2 TYR A 721 -1.206 -1.576 2.257 1.00 32.05 H new ATOM 0 HB3 TYR A 721 -1.899 0.026 2.415 1.00 32.05 H new ATOM 0 HD1 TYR A 721 -0.489 2.050 1.918 1.00 23.24 H new ATOM 0 HD2 TYR A 721 0.974 -1.896 1.232 1.00 52.05 H new ATOM 0 HE1 TYR A 721 1.296 2.953 0.495 1.00 53.22 H new ATOM 0 HE2 TYR A 721 2.759 -0.990 -0.184 1.00 41.12 H new ATOM 0 HH TYR A 721 3.455 0.840 -1.326 1.00 13.25 H new ATOM 956 N THR A 722 -2.442 -0.349 5.671 1.00 62.32 N ATOM 957 CA THR A 722 -3.526 -0.835 6.542 1.00 74.22 C ATOM 958 C THR A 722 -4.810 -0.021 6.339 1.00 12.23 C ATOM 959 O THR A 722 -4.813 1.192 6.528 1.00 52.04 O ATOM 960 CB THR A 722 -3.118 -0.756 8.037 1.00 22.21 C ATOM 961 OG1 THR A 722 -1.894 -1.475 8.262 1.00 23.24 O ATOM 962 CG2 THR A 722 -4.210 -1.321 8.941 1.00 13.55 C ATOM 0 H THR A 722 -2.271 0.655 5.735 1.00 62.32 H new ATOM 0 HA THR A 722 -3.710 -1.874 6.269 1.00 74.22 H new ATOM 0 HB THR A 722 -2.973 0.296 8.282 1.00 22.21 H new ATOM 0 HG1 THR A 722 -1.649 -1.415 9.209 1.00 23.24 H new ATOM 0 HG21 THR A 722 -3.893 -1.251 9.982 1.00 13.55 H new ATOM 0 HG22 THR A 722 -5.128 -0.751 8.802 1.00 13.55 H new ATOM 0 HG23 THR A 722 -4.389 -2.365 8.686 1.00 13.55 H new ATOM 970 N VAL A 723 -5.904 -0.685 5.976 1.00 50.21 N ATOM 971 CA VAL A 723 -7.179 0.009 5.740 1.00 62.41 C ATOM 972 C VAL A 723 -8.217 -0.341 6.822 1.00 4.42 C ATOM 973 O VAL A 723 -8.285 -1.481 7.290 1.00 54.24 O ATOM 974 CB VAL A 723 -7.754 -0.312 4.334 1.00 14.33 C ATOM 975 CG1 VAL A 723 -8.070 -1.800 4.193 1.00 61.51 C ATOM 976 CG2 VAL A 723 -8.988 0.542 4.042 1.00 15.52 C ATOM 0 H VAL A 723 -5.940 -1.695 5.838 1.00 50.21 H new ATOM 0 HA VAL A 723 -6.970 1.078 5.790 1.00 62.41 H new ATOM 0 HB VAL A 723 -6.991 -0.065 3.596 1.00 14.33 H new ATOM 0 HG11 VAL A 723 -8.471 -1.994 3.198 1.00 61.51 H new ATOM 0 HG12 VAL A 723 -7.159 -2.381 4.337 1.00 61.51 H new ATOM 0 HG13 VAL A 723 -8.806 -2.088 4.943 1.00 61.51 H new ATOM 0 HG21 VAL A 723 -9.373 0.299 3.051 1.00 15.52 H new ATOM 0 HG22 VAL A 723 -9.756 0.340 4.789 1.00 15.52 H new ATOM 0 HG23 VAL A 723 -8.717 1.597 4.077 1.00 15.52 H new ATOM 986 N THR A 724 -9.014 0.650 7.223 1.00 11.21 N ATOM 987 CA THR A 724 -10.024 0.461 8.274 1.00 63.21 C ATOM 988 C THR A 724 -11.454 0.597 7.732 1.00 21.40 C ATOM 989 O THR A 724 -11.801 1.593 7.097 1.00 30.42 O ATOM 990 CB THR A 724 -9.831 1.474 9.428 1.00 44.24 C ATOM 991 OG1 THR A 724 -8.493 1.381 9.943 1.00 75.30 O ATOM 992 CG2 THR A 724 -10.829 1.223 10.558 1.00 22.40 C ATOM 0 H THR A 724 -8.982 1.594 6.838 1.00 11.21 H new ATOM 0 HA THR A 724 -9.885 -0.553 8.649 1.00 63.21 H new ATOM 0 HB THR A 724 -10.005 2.474 9.030 1.00 44.24 H new ATOM 0 HG1 THR A 724 -8.377 2.026 10.672 1.00 75.30 H new ATOM 0 HG21 THR A 724 -10.668 1.950 11.354 1.00 22.40 H new ATOM 0 HG22 THR A 724 -11.845 1.322 10.175 1.00 22.40 H new ATOM 0 HG23 THR A 724 -10.687 0.217 10.952 1.00 22.40 H new ATOM 1000 N ASP A 725 -12.273 -0.418 7.990 1.00 75.32 N ATOM 1001 CA ASP A 725 -13.691 -0.410 7.614 1.00 13.24 C ATOM 1002 C ASP A 725 -14.553 0.306 8.675 1.00 5.02 C ATOM 1003 O ASP A 725 -14.157 0.435 9.836 1.00 23.21 O ATOM 1004 CB ASP A 725 -14.160 -1.859 7.388 1.00 32.53 C ATOM 1005 CG ASP A 725 -15.622 -2.086 7.724 1.00 73.44 C ATOM 1006 OD1 ASP A 725 -16.497 -1.771 6.888 1.00 63.05 O ATOM 1007 OD2 ASP A 725 -15.902 -2.574 8.835 1.00 43.25 O ATOM 0 H ASP A 725 -11.977 -1.271 8.465 1.00 75.32 H new ATOM 0 HA ASP A 725 -13.811 0.151 6.687 1.00 13.24 H new ATOM 0 HB2 ASP A 725 -13.990 -2.128 6.346 1.00 32.53 H new ATOM 0 HB3 ASP A 725 -13.549 -2.528 7.994 1.00 32.53 H new ATOM 1012 N SER A 726 -15.738 0.757 8.263 1.00 40.32 N ATOM 1013 CA SER A 726 -16.642 1.530 9.132 1.00 71.13 C ATOM 1014 C SER A 726 -17.033 0.772 10.414 1.00 23.23 C ATOM 1015 O SER A 726 -17.206 1.379 11.473 1.00 62.25 O ATOM 1016 CB SER A 726 -17.915 1.908 8.363 1.00 4.21 C ATOM 1017 OG SER A 726 -17.614 2.665 7.198 1.00 23.22 O ATOM 0 H SER A 726 -16.102 0.601 7.323 1.00 40.32 H new ATOM 0 HA SER A 726 -16.097 2.425 9.432 1.00 71.13 H new ATOM 0 HB2 SER A 726 -18.453 1.003 8.081 1.00 4.21 H new ATOM 0 HB3 SER A 726 -18.576 2.483 9.011 1.00 4.21 H new ATOM 0 HG SER A 726 -18.445 2.889 6.729 1.00 23.22 H new ATOM 1023 N LYS A 727 -17.177 -0.548 10.324 1.00 13.23 N ATOM 1024 CA LYS A 727 -17.595 -1.364 11.476 1.00 1.13 C ATOM 1025 C LYS A 727 -16.385 -1.862 12.286 1.00 42.34 C ATOM 1026 O LYS A 727 -16.514 -2.744 13.134 1.00 44.33 O ATOM 1027 CB LYS A 727 -18.459 -2.554 11.016 1.00 11.23 C ATOM 1028 CG LYS A 727 -19.854 -2.163 10.519 1.00 14.23 C ATOM 1029 CD LYS A 727 -19.803 -1.335 9.237 1.00 72.12 C ATOM 1030 CE LYS A 727 -21.196 -0.932 8.758 1.00 53.31 C ATOM 1031 NZ LYS A 727 -21.841 0.064 9.652 1.00 33.15 N ATOM 0 H LYS A 727 -17.012 -1.081 9.470 1.00 13.23 H new ATOM 0 HA LYS A 727 -18.194 -0.728 12.128 1.00 1.13 H new ATOM 0 HB2 LYS A 727 -17.936 -3.081 10.218 1.00 11.23 H new ATOM 0 HB3 LYS A 727 -18.564 -3.254 11.845 1.00 11.23 H new ATOM 0 HG2 LYS A 727 -20.440 -3.065 10.343 1.00 14.23 H new ATOM 0 HG3 LYS A 727 -20.368 -1.595 11.295 1.00 14.23 H new ATOM 0 HD2 LYS A 727 -19.206 -0.439 9.408 1.00 72.12 H new ATOM 0 HD3 LYS A 727 -19.303 -1.907 8.456 1.00 72.12 H new ATOM 0 HE2 LYS A 727 -21.125 -0.519 7.752 1.00 53.31 H new ATOM 0 HE3 LYS A 727 -21.825 -1.820 8.695 1.00 53.31 H new ATOM 0 HZ1 LYS A 727 -22.762 0.342 9.256 1.00 33.15 H new ATOM 0 HZ2 LYS A 727 -21.982 -0.354 10.594 1.00 33.15 H new ATOM 0 HZ3 LYS A 727 -21.232 0.903 9.733 1.00 33.15 H new ATOM 1045 N GLY A 728 -15.212 -1.284 12.023 1.00 52.13 N ATOM 1046 CA GLY A 728 -14.022 -1.602 12.806 1.00 12.41 C ATOM 1047 C GLY A 728 -13.181 -2.746 12.234 1.00 5.41 C ATOM 1048 O GLY A 728 -12.273 -3.246 12.900 1.00 32.53 O ATOM 0 H GLY A 728 -15.063 -0.600 11.281 1.00 52.13 H new ATOM 0 HA2 GLY A 728 -13.400 -0.710 12.879 1.00 12.41 H new ATOM 0 HA3 GLY A 728 -14.327 -1.862 13.820 1.00 12.41 H new ATOM 1052 N HIS A 729 -13.478 -3.171 11.007 1.00 5.12 N ATOM 1053 CA HIS A 729 -12.706 -4.239 10.358 1.00 33.43 C ATOM 1054 C HIS A 729 -11.405 -3.694 9.752 1.00 51.42 C ATOM 1055 O HIS A 729 -11.416 -2.999 8.737 1.00 33.35 O ATOM 1056 CB HIS A 729 -13.551 -4.936 9.287 1.00 74.11 C ATOM 1057 CG HIS A 729 -14.721 -5.673 9.859 1.00 0.43 C ATOM 1058 ND1 HIS A 729 -16.029 -5.298 9.658 1.00 23.40 N ATOM 1059 CD2 HIS A 729 -14.766 -6.774 10.638 1.00 61.31 C ATOM 1060 CE1 HIS A 729 -16.825 -6.133 10.292 1.00 41.10 C ATOM 1061 NE2 HIS A 729 -16.088 -7.041 10.900 1.00 54.22 N ATOM 0 H HIS A 729 -14.241 -2.798 10.443 1.00 5.12 H new ATOM 0 HA HIS A 729 -12.438 -4.971 11.119 1.00 33.43 H new ATOM 0 HB2 HIS A 729 -13.909 -4.194 8.573 1.00 74.11 H new ATOM 0 HB3 HIS A 729 -12.923 -5.634 8.733 1.00 74.11 H new ATOM 0 HD1 HIS A 729 -16.334 -4.498 9.104 1.00 23.40 H new ATOM 0 HD2 HIS A 729 -13.918 -7.342 10.991 1.00 61.31 H new ATOM 0 HE1 HIS A 729 -17.904 -6.082 10.311 1.00 41.10 H new ATOM 1070 N GLU A 730 -10.287 -4.016 10.390 1.00 24.03 N ATOM 1071 CA GLU A 730 -8.977 -3.491 9.991 1.00 30.44 C ATOM 1072 C GLU A 730 -8.084 -4.602 9.407 1.00 11.13 C ATOM 1073 O GLU A 730 -7.864 -5.634 10.042 1.00 43.25 O ATOM 1074 CB GLU A 730 -8.308 -2.844 11.210 1.00 14.25 C ATOM 1075 CG GLU A 730 -6.967 -2.181 10.918 1.00 21.21 C ATOM 1076 CD GLU A 730 -6.363 -1.518 12.149 1.00 24.40 C ATOM 1077 OE1 GLU A 730 -5.648 -2.199 12.912 1.00 11.44 O ATOM 1078 OE2 GLU A 730 -6.609 -0.314 12.366 1.00 31.34 O ATOM 0 H GLU A 730 -10.257 -4.643 11.194 1.00 24.03 H new ATOM 0 HA GLU A 730 -9.116 -2.744 9.210 1.00 30.44 H new ATOM 0 HB2 GLU A 730 -8.985 -2.098 11.626 1.00 14.25 H new ATOM 0 HB3 GLU A 730 -8.163 -3.606 11.976 1.00 14.25 H new ATOM 0 HG2 GLU A 730 -6.272 -2.928 10.534 1.00 21.21 H new ATOM 0 HG3 GLU A 730 -7.098 -1.434 10.135 1.00 21.21 H new ATOM 1085 N VAL A 731 -7.589 -4.391 8.185 1.00 73.41 N ATOM 1086 CA VAL A 731 -6.705 -5.363 7.517 1.00 54.31 C ATOM 1087 C VAL A 731 -5.453 -4.678 6.946 1.00 24.54 C ATOM 1088 O VAL A 731 -5.483 -3.491 6.604 1.00 43.43 O ATOM 1089 CB VAL A 731 -7.436 -6.126 6.376 1.00 14.43 C ATOM 1090 CG1 VAL A 731 -8.588 -6.962 6.928 1.00 3.30 C ATOM 1091 CG2 VAL A 731 -7.937 -5.158 5.306 1.00 10.13 C ATOM 0 H VAL A 731 -7.783 -3.555 7.633 1.00 73.41 H new ATOM 0 HA VAL A 731 -6.406 -6.082 8.280 1.00 54.31 H new ATOM 0 HB VAL A 731 -6.718 -6.802 5.913 1.00 14.43 H new ATOM 0 HG11 VAL A 731 -9.082 -7.485 6.110 1.00 3.30 H new ATOM 0 HG12 VAL A 731 -8.201 -7.689 7.642 1.00 3.30 H new ATOM 0 HG13 VAL A 731 -9.305 -6.310 7.427 1.00 3.30 H new ATOM 0 HG21 VAL A 731 -8.445 -5.716 4.519 1.00 10.13 H new ATOM 0 HG22 VAL A 731 -8.633 -4.449 5.754 1.00 10.13 H new ATOM 0 HG23 VAL A 731 -7.092 -4.617 4.880 1.00 10.13 H new ATOM 1101 N THR A 732 -4.355 -5.430 6.835 1.00 14.12 N ATOM 1102 CA THR A 732 -3.072 -4.871 6.378 1.00 63.14 C ATOM 1103 C THR A 732 -2.355 -5.780 5.362 1.00 52.31 C ATOM 1104 O THR A 732 -2.551 -6.996 5.348 1.00 1.33 O ATOM 1105 CB THR A 732 -2.114 -4.604 7.569 1.00 24.32 C ATOM 1106 OG1 THR A 732 -0.883 -4.026 7.102 1.00 1.51 O ATOM 1107 CG2 THR A 732 -1.814 -5.884 8.345 1.00 25.43 C ATOM 0 H THR A 732 -4.325 -6.426 7.054 1.00 14.12 H new ATOM 0 HA THR A 732 -3.321 -3.931 5.885 1.00 63.14 H new ATOM 0 HB THR A 732 -2.614 -3.905 8.240 1.00 24.32 H new ATOM 0 HG1 THR A 732 -0.860 -3.074 7.333 1.00 1.51 H new ATOM 0 HG21 THR A 732 -1.140 -5.659 9.172 1.00 25.43 H new ATOM 0 HG22 THR A 732 -2.743 -6.298 8.737 1.00 25.43 H new ATOM 0 HG23 THR A 732 -1.344 -6.610 7.681 1.00 25.43 H new ATOM 1115 N ALA A 733 -1.526 -5.171 4.516 1.00 5.44 N ATOM 1116 CA ALA A 733 -0.720 -5.894 3.523 1.00 52.04 C ATOM 1117 C ALA A 733 0.612 -5.165 3.268 1.00 13.11 C ATOM 1118 O ALA A 733 0.746 -3.983 3.580 1.00 41.51 O ATOM 1119 CB ALA A 733 -1.503 -6.062 2.225 1.00 40.13 C ATOM 0 H ALA A 733 -1.391 -4.160 4.497 1.00 5.44 H new ATOM 0 HA ALA A 733 -0.492 -6.884 3.917 1.00 52.04 H new ATOM 0 HB1 ALA A 733 -0.893 -6.599 1.499 1.00 40.13 H new ATOM 0 HB2 ALA A 733 -2.415 -6.626 2.421 1.00 40.13 H new ATOM 0 HB3 ALA A 733 -1.761 -5.081 1.826 1.00 40.13 H new ATOM 1125 N LYS A 734 1.595 -5.866 2.698 1.00 13.21 N ATOM 1126 CA LYS A 734 2.935 -5.290 2.485 1.00 61.15 C ATOM 1127 C LYS A 734 3.380 -5.315 1.011 1.00 43.22 C ATOM 1128 O LYS A 734 2.910 -6.125 0.207 1.00 52.14 O ATOM 1129 CB LYS A 734 3.970 -6.023 3.357 1.00 44.23 C ATOM 1130 CG LYS A 734 3.989 -5.561 4.814 1.00 74.12 C ATOM 1131 CD LYS A 734 4.903 -6.431 5.676 1.00 12.50 C ATOM 1132 CE LYS A 734 5.247 -5.762 7.007 1.00 42.55 C ATOM 1133 NZ LYS A 734 4.042 -5.286 7.739 1.00 3.10 N ATOM 0 H LYS A 734 1.494 -6.828 2.375 1.00 13.21 H new ATOM 0 HA LYS A 734 2.873 -4.242 2.777 1.00 61.15 H new ATOM 0 HB2 LYS A 734 3.763 -7.093 3.328 1.00 44.23 H new ATOM 0 HB3 LYS A 734 4.961 -5.878 2.927 1.00 44.23 H new ATOM 0 HG2 LYS A 734 4.323 -4.525 4.862 1.00 74.12 H new ATOM 0 HG3 LYS A 734 2.976 -5.588 5.217 1.00 74.12 H new ATOM 0 HD2 LYS A 734 4.417 -7.388 5.867 1.00 12.50 H new ATOM 0 HD3 LYS A 734 5.822 -6.643 5.129 1.00 12.50 H new ATOM 0 HE2 LYS A 734 5.792 -6.468 7.633 1.00 42.55 H new ATOM 0 HE3 LYS A 734 5.912 -4.918 6.824 1.00 42.55 H new ATOM 0 HZ1 LYS A 734 4.261 -5.206 8.753 1.00 3.10 H new ATOM 0 HZ2 LYS A 734 3.758 -4.355 7.372 1.00 3.10 H new ATOM 0 HZ3 LYS A 734 3.264 -5.963 7.605 1.00 3.10 H new ATOM 1147 N GLN A 735 4.307 -4.412 0.683 1.00 60.42 N ATOM 1148 CA GLN A 735 4.910 -4.321 -0.655 1.00 40.22 C ATOM 1149 C GLN A 735 6.444 -4.263 -0.553 1.00 12.13 C ATOM 1150 O GLN A 735 6.993 -3.447 0.193 1.00 34.00 O ATOM 1151 CB GLN A 735 4.396 -3.070 -1.397 1.00 44.24 C ATOM 1152 CG GLN A 735 5.114 -2.798 -2.720 1.00 12.43 C ATOM 1153 CD GLN A 735 4.639 -1.529 -3.416 1.00 74.42 C ATOM 1154 OE1 GLN A 735 4.221 -0.535 -2.651 1.00 35.21 O flip ATOM 1155 NE2 GLN A 735 4.662 -1.436 -4.639 1.00 43.45 N flip ATOM 0 H GLN A 735 4.664 -3.718 1.340 1.00 60.42 H new ATOM 0 HA GLN A 735 4.623 -5.211 -1.215 1.00 40.22 H new ATOM 0 HB2 GLN A 735 3.330 -3.186 -1.590 1.00 44.24 H new ATOM 0 HB3 GLN A 735 4.509 -2.202 -0.748 1.00 44.24 H new ATOM 0 HG2 GLN A 735 6.185 -2.723 -2.535 1.00 12.43 H new ATOM 0 HG3 GLN A 735 4.965 -3.647 -3.387 1.00 12.43 H new ATOM 0 HE21 GLN A 735 4.990 -2.219 -5.204 1.00 43.45 H new ATOM 0 HE22 GLN A 735 4.353 -0.575 -5.091 1.00 43.45 H new ATOM 1164 N THR A 736 7.133 -5.129 -1.297 1.00 45.20 N ATOM 1165 CA THR A 736 8.604 -5.147 -1.300 1.00 70.20 C ATOM 1166 C THR A 736 9.172 -4.354 -2.490 1.00 65.52 C ATOM 1167 O THR A 736 9.156 -4.825 -3.627 1.00 13.12 O ATOM 1168 CB THR A 736 9.154 -6.598 -1.355 1.00 21.21 C ATOM 1169 OG1 THR A 736 8.674 -7.360 -0.234 1.00 63.53 O ATOM 1170 CG2 THR A 736 10.682 -6.612 -1.358 1.00 71.51 C ATOM 0 H THR A 736 6.702 -5.826 -1.904 1.00 45.20 H new ATOM 0 HA THR A 736 8.923 -4.678 -0.369 1.00 70.20 H new ATOM 0 HB THR A 736 8.798 -7.049 -2.282 1.00 21.21 H new ATOM 0 HG1 THR A 736 9.028 -8.273 -0.283 1.00 63.53 H new ATOM 0 HG21 THR A 736 11.036 -7.642 -1.397 1.00 71.51 H new ATOM 0 HG22 THR A 736 11.049 -6.069 -2.229 1.00 71.51 H new ATOM 0 HG23 THR A 736 11.052 -6.135 -0.450 1.00 71.51 H new ATOM 1178 N VAL A 737 9.675 -3.148 -2.225 1.00 32.11 N ATOM 1179 CA VAL A 737 10.249 -2.294 -3.276 1.00 22.45 C ATOM 1180 C VAL A 737 11.785 -2.394 -3.305 1.00 1.23 C ATOM 1181 O VAL A 737 12.438 -2.296 -2.270 1.00 44.15 O ATOM 1182 CB VAL A 737 9.841 -0.811 -3.080 1.00 33.44 C ATOM 1183 CG1 VAL A 737 10.388 0.057 -4.213 1.00 2.44 C ATOM 1184 CG2 VAL A 737 8.319 -0.676 -2.970 1.00 34.33 C ATOM 0 H VAL A 737 9.699 -2.736 -1.292 1.00 32.11 H new ATOM 0 HA VAL A 737 9.851 -2.653 -4.225 1.00 22.45 H new ATOM 0 HB VAL A 737 10.278 -0.458 -2.146 1.00 33.44 H new ATOM 0 HG11 VAL A 737 10.089 1.093 -4.054 1.00 2.44 H new ATOM 0 HG12 VAL A 737 11.476 -0.009 -4.229 1.00 2.44 H new ATOM 0 HG13 VAL A 737 9.989 -0.294 -5.165 1.00 2.44 H new ATOM 0 HG21 VAL A 737 8.056 0.373 -2.833 1.00 34.33 H new ATOM 0 HG22 VAL A 737 7.854 -1.051 -3.882 1.00 34.33 H new ATOM 0 HG23 VAL A 737 7.963 -1.254 -2.117 1.00 34.33 H new ATOM 1194 N THR A 738 12.357 -2.588 -4.490 1.00 43.24 N ATOM 1195 CA THR A 738 13.818 -2.684 -4.640 1.00 72.42 C ATOM 1196 C THR A 738 14.360 -1.610 -5.599 1.00 21.52 C ATOM 1197 O THR A 738 14.011 -1.579 -6.783 1.00 51.23 O ATOM 1198 CB THR A 738 14.245 -4.085 -5.150 1.00 74.41 C ATOM 1199 OG1 THR A 738 13.774 -5.104 -4.247 1.00 23.42 O ATOM 1200 CG2 THR A 738 15.764 -4.191 -5.286 1.00 63.35 C ATOM 0 H THR A 738 11.838 -2.683 -5.363 1.00 43.24 H new ATOM 0 HA THR A 738 14.243 -2.521 -3.650 1.00 72.42 H new ATOM 0 HB THR A 738 13.800 -4.229 -6.135 1.00 74.41 H new ATOM 0 HG1 THR A 738 14.047 -5.985 -4.578 1.00 23.42 H new ATOM 0 HG21 THR A 738 16.029 -5.185 -5.645 1.00 63.35 H new ATOM 0 HG22 THR A 738 16.119 -3.443 -5.995 1.00 63.35 H new ATOM 0 HG23 THR A 738 16.229 -4.021 -4.315 1.00 63.35 H new ATOM 1208 N VAL A 739 15.213 -0.731 -5.077 1.00 54.03 N ATOM 1209 CA VAL A 739 15.818 0.347 -5.870 1.00 21.53 C ATOM 1210 C VAL A 739 17.239 -0.030 -6.321 1.00 73.34 C ATOM 1211 O VAL A 739 18.088 -0.358 -5.493 1.00 55.15 O ATOM 1212 CB VAL A 739 15.882 1.663 -5.056 1.00 24.43 C ATOM 1213 CG1 VAL A 739 16.364 2.822 -5.930 1.00 63.25 C ATOM 1214 CG2 VAL A 739 14.524 1.976 -4.435 1.00 52.45 C ATOM 0 H VAL A 739 15.505 -0.742 -4.100 1.00 54.03 H new ATOM 0 HA VAL A 739 15.189 0.494 -6.748 1.00 21.53 H new ATOM 0 HB VAL A 739 16.603 1.531 -4.249 1.00 24.43 H new ATOM 0 HG11 VAL A 739 16.401 3.735 -5.336 1.00 63.25 H new ATOM 0 HG12 VAL A 739 17.359 2.599 -6.314 1.00 63.25 H new ATOM 0 HG13 VAL A 739 15.676 2.959 -6.764 1.00 63.25 H new ATOM 0 HG21 VAL A 739 14.589 2.904 -3.867 1.00 52.45 H new ATOM 0 HG22 VAL A 739 13.780 2.085 -5.224 1.00 52.45 H new ATOM 0 HG23 VAL A 739 14.232 1.163 -3.770 1.00 52.45 H new ATOM 1224 N LYS A 740 17.494 0.031 -7.632 1.00 33.30 N ATOM 1225 CA LYS A 740 18.796 -0.363 -8.198 1.00 52.32 C ATOM 1226 C LYS A 740 19.547 0.833 -8.815 1.00 63.43 C ATOM 1227 O LYS A 740 18.934 1.795 -9.281 1.00 44.33 O ATOM 1228 CB LYS A 740 18.589 -1.458 -9.255 1.00 70.34 C ATOM 1229 CG LYS A 740 17.844 -2.679 -8.725 1.00 53.11 C ATOM 1230 CD LYS A 740 17.660 -3.745 -9.799 1.00 53.11 C ATOM 1231 CE LYS A 740 16.880 -4.947 -9.275 1.00 22.14 C ATOM 1232 NZ LYS A 740 16.750 -6.020 -10.297 1.00 73.51 N ATOM 0 H LYS A 740 16.817 0.350 -8.325 1.00 33.30 H new ATOM 0 HA LYS A 740 19.411 -0.745 -7.383 1.00 52.32 H new ATOM 0 HB2 LYS A 740 18.035 -1.041 -10.096 1.00 70.34 H new ATOM 0 HB3 LYS A 740 19.560 -1.772 -9.637 1.00 70.34 H new ATOM 0 HG2 LYS A 740 18.393 -3.102 -7.884 1.00 53.11 H new ATOM 0 HG3 LYS A 740 16.869 -2.373 -8.347 1.00 53.11 H new ATOM 0 HD2 LYS A 740 17.135 -3.315 -10.652 1.00 53.11 H new ATOM 0 HD3 LYS A 740 18.636 -4.073 -10.157 1.00 53.11 H new ATOM 0 HE2 LYS A 740 17.380 -5.346 -8.393 1.00 22.14 H new ATOM 0 HE3 LYS A 740 15.887 -4.625 -8.960 1.00 22.14 H new ATOM 0 HZ1 LYS A 740 16.213 -6.816 -9.898 1.00 73.51 H new ATOM 0 HZ2 LYS A 740 16.250 -5.648 -11.129 1.00 73.51 H new ATOM 0 HZ3 LYS A 740 17.696 -6.347 -10.579 1.00 73.51 H new ATOM 1246 N VAL A 741 20.879 0.757 -8.832 1.00 70.15 N ATOM 1247 CA VAL A 741 21.725 1.858 -9.324 1.00 64.42 C ATOM 1248 C VAL A 741 21.810 1.888 -10.865 1.00 70.31 C ATOM 1249 O VAL A 741 21.586 0.878 -11.537 1.00 5.24 O ATOM 1250 CB VAL A 741 23.165 1.756 -8.740 1.00 40.21 C ATOM 1251 CG1 VAL A 741 24.004 2.983 -9.099 1.00 71.43 C ATOM 1252 CG2 VAL A 741 23.125 1.553 -7.228 1.00 74.41 C ATOM 0 H VAL A 741 21.402 -0.058 -8.510 1.00 70.15 H new ATOM 0 HA VAL A 741 21.253 2.781 -8.987 1.00 64.42 H new ATOM 0 HB VAL A 741 23.641 0.886 -9.191 1.00 40.21 H new ATOM 0 HG11 VAL A 741 25.003 2.878 -8.675 1.00 71.43 H new ATOM 0 HG12 VAL A 741 24.077 3.069 -10.183 1.00 71.43 H new ATOM 0 HG13 VAL A 741 23.531 3.878 -8.695 1.00 71.43 H new ATOM 0 HG21 VAL A 741 24.142 1.485 -6.843 1.00 74.41 H new ATOM 0 HG22 VAL A 741 22.616 2.396 -6.761 1.00 74.41 H new ATOM 0 HG23 VAL A 741 22.588 0.633 -6.999 1.00 74.41 H new ATOM 1262 N ARG A 742 22.116 3.066 -11.417 1.00 52.11 N ATOM 1263 CA ARG A 742 22.368 3.225 -12.857 1.00 0.02 C ATOM 1264 C ARG A 742 23.851 2.982 -13.197 1.00 22.22 C ATOM 1265 O ARG A 742 24.658 2.657 -12.324 1.00 72.44 O ATOM 1266 CB ARG A 742 21.954 4.635 -13.314 1.00 63.33 C ATOM 1267 CG ARG A 742 20.443 4.845 -13.414 1.00 51.21 C ATOM 1268 CD ARG A 742 19.821 3.984 -14.512 1.00 42.33 C ATOM 1269 NE ARG A 742 20.460 4.203 -15.810 1.00 14.13 N ATOM 1270 CZ ARG A 742 20.165 3.549 -16.901 1.00 75.22 C ATOM 1271 NH1 ARG A 742 19.235 2.649 -16.910 1.00 32.40 N ATOM 1272 NH2 ARG A 742 20.802 3.808 -17.992 1.00 62.25 N ATOM 0 H ARG A 742 22.196 3.932 -10.885 1.00 52.11 H new ATOM 0 HA ARG A 742 21.771 2.481 -13.385 1.00 0.02 H new ATOM 0 HB2 ARG A 742 22.365 5.365 -12.617 1.00 63.33 H new ATOM 0 HB3 ARG A 742 22.402 4.835 -14.287 1.00 63.33 H new ATOM 0 HG2 ARG A 742 19.979 4.605 -12.457 1.00 51.21 H new ATOM 0 HG3 ARG A 742 20.235 5.896 -13.615 1.00 51.21 H new ATOM 0 HD2 ARG A 742 19.906 2.932 -14.239 1.00 42.33 H new ATOM 0 HD3 ARG A 742 18.757 4.208 -14.589 1.00 42.33 H new ATOM 0 HE ARG A 742 21.187 4.916 -15.867 1.00 14.13 H new ATOM 0 HH11 ARG A 742 18.719 2.441 -16.055 1.00 32.40 H new ATOM 0 HH12 ARG A 742 19.018 2.148 -17.772 1.00 32.40 H new ATOM 0 HH21 ARG A 742 21.532 4.520 -18.000 1.00 62.25 H new ATOM 0 HH22 ARG A 742 20.576 3.300 -18.847 1.00 62.25 H new ATOM 1286 N GLU A 743 24.208 3.152 -14.468 1.00 72.01 N ATOM 1287 CA GLU A 743 25.592 2.955 -14.918 1.00 32.14 C ATOM 1288 C GLU A 743 26.287 4.296 -15.193 1.00 43.22 C ATOM 1289 O GLU A 743 27.512 4.362 -15.302 1.00 63.53 O ATOM 1290 CB GLU A 743 25.609 2.093 -16.189 1.00 64.04 C ATOM 1291 CG GLU A 743 24.872 0.766 -16.045 1.00 43.24 C ATOM 1292 CD GLU A 743 24.977 -0.100 -17.288 1.00 40.04 C ATOM 1293 OE1 GLU A 743 24.269 0.178 -18.274 1.00 11.51 O ATOM 1294 OE2 GLU A 743 25.778 -1.062 -17.287 1.00 52.55 O ATOM 0 H GLU A 743 23.561 3.426 -15.208 1.00 72.01 H new ATOM 0 HA GLU A 743 26.136 2.447 -14.122 1.00 32.14 H new ATOM 0 HB2 GLU A 743 25.162 2.659 -17.006 1.00 64.04 H new ATOM 0 HB3 GLU A 743 26.644 1.894 -16.468 1.00 64.04 H new ATOM 0 HG2 GLU A 743 25.277 0.221 -15.192 1.00 43.24 H new ATOM 0 HG3 GLU A 743 23.821 0.960 -15.830 1.00 43.24 H new ATOM 1301 N GLU A 744 25.498 5.358 -15.304 1.00 30.34 N ATOM 1302 CA GLU A 744 26.017 6.684 -15.639 1.00 33.11 C ATOM 1303 C GLU A 744 26.368 7.490 -14.376 1.00 4.44 C ATOM 1304 O GLU A 744 25.620 7.483 -13.396 1.00 0.12 O ATOM 1305 CB GLU A 744 24.987 7.460 -16.477 1.00 30.35 C ATOM 1306 CG GLU A 744 24.419 6.683 -17.669 1.00 20.45 C ATOM 1307 CD GLU A 744 23.140 5.915 -17.342 1.00 42.21 C ATOM 1308 OE1 GLU A 744 23.202 4.898 -16.619 1.00 52.24 O ATOM 1309 OE2 GLU A 744 22.060 6.320 -17.821 1.00 43.44 O ATOM 0 H GLU A 744 24.488 5.328 -15.166 1.00 30.34 H new ATOM 0 HA GLU A 744 26.930 6.544 -16.218 1.00 33.11 H new ATOM 0 HB2 GLU A 744 24.163 7.760 -15.829 1.00 30.35 H new ATOM 0 HB3 GLU A 744 25.452 8.375 -16.845 1.00 30.35 H new ATOM 0 HG2 GLU A 744 24.217 7.379 -18.483 1.00 20.45 H new ATOM 0 HG3 GLU A 744 25.173 5.982 -18.028 1.00 20.45 H new ATOM 1316 N VAL A 745 27.498 8.194 -14.410 1.00 43.44 N ATOM 1317 CA VAL A 745 27.942 9.007 -13.272 1.00 31.31 C ATOM 1318 C VAL A 745 27.135 10.317 -13.157 1.00 52.41 C ATOM 1319 O VAL A 745 27.305 11.250 -13.949 1.00 62.25 O ATOM 1320 CB VAL A 745 29.462 9.323 -13.361 1.00 55.34 C ATOM 1321 CG1 VAL A 745 29.827 9.941 -14.712 1.00 3.32 C ATOM 1322 CG2 VAL A 745 29.897 10.232 -12.210 1.00 61.24 C ATOM 0 H VAL A 745 28.126 8.220 -15.213 1.00 43.44 H new ATOM 0 HA VAL A 745 27.762 8.417 -12.374 1.00 31.31 H new ATOM 0 HB VAL A 745 30.001 8.380 -13.274 1.00 55.34 H new ATOM 0 HG11 VAL A 745 30.897 10.149 -14.740 1.00 3.32 H new ATOM 0 HG12 VAL A 745 29.572 9.245 -15.511 1.00 3.32 H new ATOM 0 HG13 VAL A 745 29.273 10.870 -14.849 1.00 3.32 H new ATOM 0 HG21 VAL A 745 30.964 10.439 -12.293 1.00 61.24 H new ATOM 0 HG22 VAL A 745 29.341 11.168 -12.256 1.00 61.24 H new ATOM 0 HG23 VAL A 745 29.697 9.737 -11.260 1.00 61.24 H new ATOM 1332 N LYS A 746 26.242 10.372 -12.173 1.00 23.31 N ATOM 1333 CA LYS A 746 25.414 11.563 -11.941 1.00 24.41 C ATOM 1334 C LYS A 746 25.906 12.380 -10.738 1.00 74.25 C ATOM 1335 O LYS A 746 26.133 11.843 -9.655 1.00 64.24 O ATOM 1336 CB LYS A 746 23.947 11.167 -11.729 1.00 63.15 C ATOM 1337 CG LYS A 746 23.248 10.686 -12.998 1.00 30.31 C ATOM 1338 CD LYS A 746 21.766 10.398 -12.754 1.00 61.41 C ATOM 1339 CE LYS A 746 21.020 10.108 -14.051 1.00 2.45 C ATOM 1340 NZ LYS A 746 21.072 11.258 -14.992 1.00 11.35 N ATOM 0 H LYS A 746 26.069 9.608 -11.520 1.00 23.31 H new ATOM 0 HA LYS A 746 25.498 12.188 -12.830 1.00 24.41 H new ATOM 0 HB2 LYS A 746 23.898 10.379 -10.978 1.00 63.15 H new ATOM 0 HB3 LYS A 746 23.404 12.023 -11.329 1.00 63.15 H new ATOM 0 HG2 LYS A 746 23.348 11.442 -13.777 1.00 30.31 H new ATOM 0 HG3 LYS A 746 23.738 9.784 -13.364 1.00 30.31 H new ATOM 0 HD2 LYS A 746 21.668 9.546 -12.081 1.00 61.41 H new ATOM 0 HD3 LYS A 746 21.308 11.252 -12.255 1.00 61.41 H new ATOM 0 HE2 LYS A 746 21.452 9.229 -14.529 1.00 2.45 H new ATOM 0 HE3 LYS A 746 19.980 9.870 -13.826 1.00 2.45 H new ATOM 0 HZ1 LYS A 746 20.324 11.155 -15.708 1.00 11.35 H new ATOM 0 HZ2 LYS A 746 20.928 12.144 -14.466 1.00 11.35 H new ATOM 0 HZ3 LYS A 746 22.000 11.281 -15.461 1.00 11.35 H new ATOM 1354 N ASN A 747 26.069 13.686 -10.948 1.00 44.43 N ATOM 1355 CA ASN A 747 26.398 14.621 -9.867 1.00 4.12 C ATOM 1356 C ASN A 747 25.142 15.403 -9.441 1.00 54.13 C ATOM 1357 O ASN A 747 25.220 16.387 -8.696 1.00 13.31 O ATOM 1358 CB ASN A 747 27.495 15.593 -10.324 1.00 32.32 C ATOM 1359 CG ASN A 747 28.767 14.875 -10.744 1.00 63.13 C ATOM 1360 OD1 ASN A 747 29.650 14.619 -9.931 1.00 14.52 O ATOM 1361 ND2 ASN A 747 28.877 14.555 -12.017 1.00 1.14 N ATOM 0 H ASN A 747 25.978 14.125 -11.864 1.00 44.43 H new ATOM 0 HA ASN A 747 26.765 14.053 -9.012 1.00 4.12 H new ATOM 0 HB2 ASN A 747 27.125 16.188 -11.159 1.00 32.32 H new ATOM 0 HB3 ASN A 747 27.723 16.286 -9.514 1.00 32.32 H new ATOM 0 HD21 ASN A 747 29.715 14.080 -12.353 1.00 1.14 H new ATOM 0 HD22 ASN A 747 28.124 14.782 -12.667 1.00 1.14 H new ATOM 1368 N ASP A 748 23.986 14.940 -9.912 1.00 65.33 N ATOM 1369 CA ASP A 748 22.702 15.595 -9.650 1.00 13.44 C ATOM 1370 C ASP A 748 22.289 15.509 -8.169 1.00 72.21 C ATOM 1371 O ASP A 748 21.543 14.616 -7.765 1.00 12.11 O ATOM 1372 CB ASP A 748 21.615 14.978 -10.541 1.00 61.13 C ATOM 1373 CG ASP A 748 21.963 15.065 -12.016 1.00 31.31 C ATOM 1374 OD1 ASP A 748 22.895 14.354 -12.453 1.00 21.21 O ATOM 1375 OD2 ASP A 748 21.301 15.830 -12.753 1.00 62.22 O ATOM 0 H ASP A 748 23.911 14.100 -10.486 1.00 65.33 H new ATOM 0 HA ASP A 748 22.819 16.653 -9.887 1.00 13.44 H new ATOM 0 HB2 ASP A 748 21.471 13.933 -10.265 1.00 61.13 H new ATOM 0 HB3 ASP A 748 20.669 15.488 -10.362 1.00 61.13 H new ATOM 1380 N LYS A 749 22.810 16.428 -7.360 1.00 31.14 N ATOM 1381 CA LYS A 749 22.371 16.588 -5.968 1.00 74.53 C ATOM 1382 C LYS A 749 21.861 18.018 -5.736 1.00 64.11 C ATOM 1383 O LYS A 749 22.528 18.985 -6.114 1.00 1.15 O ATOM 1384 CB LYS A 749 23.506 16.276 -4.972 1.00 1.34 C ATOM 1385 CG LYS A 749 23.829 14.786 -4.820 1.00 64.34 C ATOM 1386 CD LYS A 749 24.711 14.252 -5.945 1.00 20.15 C ATOM 1387 CE LYS A 749 26.091 14.901 -5.942 1.00 53.25 C ATOM 1388 NZ LYS A 749 26.822 14.663 -4.666 1.00 24.41 N ATOM 0 H LYS A 749 23.542 17.079 -7.643 1.00 31.14 H new ATOM 0 HA LYS A 749 21.564 15.876 -5.795 1.00 74.53 H new ATOM 0 HB2 LYS A 749 24.407 16.799 -5.293 1.00 1.34 H new ATOM 0 HB3 LYS A 749 23.235 16.677 -3.995 1.00 1.34 H new ATOM 0 HG2 LYS A 749 24.329 14.623 -3.865 1.00 64.34 H new ATOM 0 HG3 LYS A 749 22.899 14.219 -4.794 1.00 64.34 H new ATOM 0 HD2 LYS A 749 24.817 13.172 -5.842 1.00 20.15 H new ATOM 0 HD3 LYS A 749 24.226 14.434 -6.904 1.00 20.15 H new ATOM 0 HE2 LYS A 749 26.677 14.509 -6.773 1.00 53.25 H new ATOM 0 HE3 LYS A 749 25.986 15.974 -6.104 1.00 53.25 H new ATOM 0 HZ1 LYS A 749 27.822 14.924 -4.785 1.00 24.41 H new ATOM 0 HZ2 LYS A 749 26.400 15.241 -3.911 1.00 24.41 H new ATOM 0 HZ3 LYS A 749 26.755 13.657 -4.410 1.00 24.41 H new ATOM 1402 N PRO A 750 20.678 18.174 -5.110 1.00 13.41 N ATOM 1403 CA PRO A 750 20.077 19.501 -4.874 1.00 20.42 C ATOM 1404 C PRO A 750 20.918 20.392 -3.938 1.00 65.13 C ATOM 1405 O PRO A 750 21.130 20.066 -2.771 1.00 12.43 O ATOM 1406 CB PRO A 750 18.714 19.168 -4.239 1.00 25.22 C ATOM 1407 CG PRO A 750 18.884 17.801 -3.663 1.00 24.44 C ATOM 1408 CD PRO A 750 19.834 17.084 -4.582 1.00 55.21 C ATOM 0 HA PRO A 750 20.004 20.078 -5.796 1.00 20.42 H new ATOM 0 HB2 PRO A 750 18.450 19.892 -3.468 1.00 25.22 H new ATOM 0 HB3 PRO A 750 17.916 19.188 -4.982 1.00 25.22 H new ATOM 0 HG2 PRO A 750 19.283 17.851 -2.650 1.00 24.44 H new ATOM 0 HG3 PRO A 750 17.928 17.280 -3.604 1.00 24.44 H new ATOM 0 HD2 PRO A 750 20.425 16.339 -4.049 1.00 55.21 H new ATOM 0 HD3 PRO A 750 19.306 16.561 -5.379 1.00 55.21 H new ATOM 1416 N ILE A 751 21.373 21.533 -4.457 1.00 63.33 N ATOM 1417 CA ILE A 751 22.214 22.469 -3.692 1.00 22.13 C ATOM 1418 C ILE A 751 21.396 23.310 -2.692 1.00 10.40 C ATOM 1419 O ILE A 751 21.816 24.398 -2.285 1.00 43.02 O ATOM 1420 CB ILE A 751 22.986 23.421 -4.644 1.00 51.55 C ATOM 1421 CG1 ILE A 751 22.002 24.241 -5.502 1.00 5.34 C ATOM 1422 CG2 ILE A 751 23.948 22.627 -5.531 1.00 41.44 C ATOM 1423 CD1 ILE A 751 22.669 25.247 -6.422 1.00 15.33 C ATOM 0 H ILE A 751 21.174 21.837 -5.410 1.00 63.33 H new ATOM 0 HA ILE A 751 22.919 21.859 -3.127 1.00 22.13 H new ATOM 0 HB ILE A 751 23.572 24.114 -4.040 1.00 51.55 H new ATOM 0 HG12 ILE A 751 21.404 23.556 -6.103 1.00 5.34 H new ATOM 0 HG13 ILE A 751 21.314 24.769 -4.842 1.00 5.34 H new ATOM 0 HG21 ILE A 751 24.481 23.310 -6.192 1.00 41.44 H new ATOM 0 HG22 ILE A 751 24.664 22.095 -4.905 1.00 41.44 H new ATOM 0 HG23 ILE A 751 23.385 21.910 -6.128 1.00 41.44 H new ATOM 0 HD11 ILE A 751 21.907 25.782 -6.990 1.00 15.33 H new ATOM 0 HD12 ILE A 751 23.244 25.957 -5.828 1.00 15.33 H new ATOM 0 HD13 ILE A 751 23.335 24.726 -7.110 1.00 15.33 H new ATOM 1435 N LEU A 752 20.242 22.795 -2.277 1.00 10.42 N ATOM 1436 CA LEU A 752 19.365 23.500 -1.339 1.00 52.14 C ATOM 1437 C LEU A 752 19.268 22.759 0.004 1.00 3.13 C ATOM 1438 O LEU A 752 19.847 21.684 0.176 1.00 51.34 O ATOM 1439 CB LEU A 752 17.973 23.707 -1.972 1.00 23.24 C ATOM 1440 CG LEU A 752 17.322 22.467 -2.631 1.00 65.21 C ATOM 1441 CD1 LEU A 752 16.821 21.463 -1.589 1.00 24.14 C ATOM 1442 CD2 LEU A 752 16.186 22.886 -3.567 1.00 0.31 C ATOM 0 H LEU A 752 19.888 21.886 -2.576 1.00 10.42 H new ATOM 0 HA LEU A 752 19.798 24.479 -1.130 1.00 52.14 H new ATOM 0 HB2 LEU A 752 17.299 24.076 -1.199 1.00 23.24 H new ATOM 0 HB3 LEU A 752 18.054 24.491 -2.725 1.00 23.24 H new ATOM 0 HG LEU A 752 18.093 21.969 -3.219 1.00 65.21 H new ATOM 0 HD11 LEU A 752 16.371 20.608 -2.094 1.00 24.14 H new ATOM 0 HD12 LEU A 752 17.658 21.125 -0.978 1.00 24.14 H new ATOM 0 HD13 LEU A 752 16.077 21.941 -0.952 1.00 24.14 H new ATOM 0 HD21 LEU A 752 15.742 22.000 -4.020 1.00 0.31 H new ATOM 0 HD22 LEU A 752 15.426 23.423 -2.999 1.00 0.31 H new ATOM 0 HD23 LEU A 752 16.580 23.535 -4.350 1.00 0.31 H new ATOM 1454 N GLU A 753 18.525 23.334 0.949 1.00 31.50 N ATOM 1455 CA GLU A 753 18.396 22.755 2.293 1.00 11.11 C ATOM 1456 C GLU A 753 17.532 21.485 2.286 1.00 34.00 C ATOM 1457 O GLU A 753 17.359 20.832 3.323 1.00 2.31 O ATOM 1458 CB GLU A 753 17.799 23.790 3.258 1.00 75.41 C ATOM 1459 CG GLU A 753 18.637 25.053 3.404 1.00 64.51 C ATOM 1460 CD GLU A 753 18.021 26.052 4.370 1.00 13.23 C ATOM 1461 OE1 GLU A 753 17.192 26.873 3.934 1.00 12.10 O ATOM 1462 OE2 GLU A 753 18.359 26.013 5.573 1.00 33.12 O ATOM 0 H GLU A 753 18.002 24.199 0.813 1.00 31.50 H new ATOM 0 HA GLU A 753 19.394 22.476 2.630 1.00 11.11 H new ATOM 0 HB2 GLU A 753 16.803 24.065 2.910 1.00 75.41 H new ATOM 0 HB3 GLU A 753 17.678 23.330 4.239 1.00 75.41 H new ATOM 0 HG2 GLU A 753 19.635 24.785 3.751 1.00 64.51 H new ATOM 0 HG3 GLU A 753 18.755 25.522 2.427 1.00 64.51 H new TER 1469 GLU A 753 HETATM 1470 CA CA A 762 -17.935 -3.179 5.853 1.00 71.22 CA