USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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: A2573 ASN : amide:sc= 0.617 K(o=1.3,f=-0.64!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.138 K(o=1.3,f=-2.6!) USER MOD Set 1.3: A2600 THR OG1 : rot 68:sc= 0.856 USER MOD Single : A2567 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0.452) USER MOD Single : A2588 ASN : amide:sc= -0.688 X(o=-0.69,f=-0.78) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ 165:sc= -0.0493 (180deg=-0.282) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -130:sc= 0 USER MOD Single : A2605 MET CE :methyl -177:sc= 0 (180deg=-0.0143) USER MOD Single : A2607 SER OG : rot 180:sc= 0 USER MOD Single : A2608 TYR OH : rot 180:sc= 0 USER MOD Single : A2611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2612 ASN : amide:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A2618 SER OG : rot 180:sc= 0 USER MOD Single : A2619 SER OG : rot 180:sc= 0 USER MOD Single : A2621 GLN : amide:sc= -0.273 K(o=-0.27,f=-0.78) USER MOD Single : A2622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A2563 7.109 -0.135 -1.431 1.00 0.00 N ATOM 2 CA LEU A2563 7.407 0.581 -0.218 1.00 0.00 C ATOM 3 C LEU A2563 7.467 -0.494 0.833 1.00 0.00 C ATOM 4 O LEU A2563 7.518 -1.691 0.467 1.00 0.00 O ATOM 5 CB LEU A2563 6.241 1.543 0.105 1.00 0.00 C ATOM 6 CG LEU A2563 6.008 2.715 -0.859 1.00 0.00 C ATOM 7 CD1 LEU A2563 4.703 3.417 -0.525 1.00 0.00 C ATOM 8 CD2 LEU A2563 7.155 3.705 -0.773 1.00 0.00 C ATOM 0 HA LEU A2563 8.324 1.167 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A2563 5.323 0.957 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A2563 6.408 1.953 1.101 1.00 0.00 H new ATOM 0 HG LEU A2563 5.954 2.321 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A2563 4.549 4.246 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A2563 3.877 2.712 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A2563 4.745 3.798 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A2563 6.976 4.530 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A2563 7.227 4.091 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A2563 8.087 3.206 -1.039 1.00 0.00 H new ATOM 20 N ASP A2564 7.491 -0.130 2.091 1.00 0.00 N ATOM 21 CA ASP A2564 7.338 -1.127 3.137 1.00 0.00 C ATOM 22 C ASP A2564 5.908 -1.604 3.062 1.00 0.00 C ATOM 23 O ASP A2564 5.012 -0.795 2.812 1.00 0.00 O ATOM 24 CB ASP A2564 7.630 -0.569 4.547 1.00 0.00 C ATOM 25 CG ASP A2564 9.097 -0.344 4.844 1.00 0.00 C ATOM 26 OD1 ASP A2564 9.645 0.710 4.468 1.00 0.00 O ATOM 27 OD2 ASP A2564 9.720 -1.197 5.515 1.00 0.00 O ATOM 0 H ASP A2564 7.612 0.828 2.418 1.00 0.00 H new ATOM 0 HA ASP A2564 8.056 -1.931 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A2564 7.099 0.376 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A2564 7.224 -1.258 5.287 1.00 0.00 H new ATOM 32 N PRO A2565 5.636 -2.895 3.278 1.00 0.00 N ATOM 33 CA PRO A2565 4.283 -3.441 3.113 1.00 0.00 C ATOM 34 C PRO A2565 3.304 -2.828 4.101 1.00 0.00 C ATOM 35 O PRO A2565 2.093 -2.795 3.861 1.00 0.00 O ATOM 36 CB PRO A2565 4.454 -4.941 3.380 1.00 0.00 C ATOM 37 CG PRO A2565 5.725 -5.062 4.156 1.00 0.00 C ATOM 38 CD PRO A2565 6.600 -3.920 3.722 1.00 0.00 C ATOM 0 HA PRO A2565 3.873 -3.227 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A2565 3.610 -5.339 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.508 -5.503 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A2565 5.531 -5.017 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.210 -6.018 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.222 -3.558 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.273 -4.214 2.916 1.00 0.00 H new ATOM 46 N ASP A2566 3.846 -2.308 5.178 1.00 0.00 N ATOM 47 CA ASP A2566 3.073 -1.713 6.230 1.00 0.00 C ATOM 48 C ASP A2566 2.909 -0.209 6.054 1.00 0.00 C ATOM 49 O ASP A2566 2.173 0.411 6.817 1.00 0.00 O ATOM 50 CB ASP A2566 3.683 -2.010 7.590 1.00 0.00 C ATOM 51 CG ASP A2566 5.049 -1.403 7.780 1.00 0.00 C ATOM 52 OD1 ASP A2566 6.041 -2.031 7.388 1.00 0.00 O ATOM 53 OD2 ASP A2566 5.157 -0.307 8.365 1.00 0.00 O ATOM 0 H ASP A2566 4.852 -2.289 5.345 1.00 0.00 H new ATOM 0 HA ASP A2566 2.081 -2.162 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A2566 3.017 -1.637 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A2566 3.752 -3.090 7.721 1.00 0.00 H new ATOM 58 N THR A2567 3.576 0.378 5.074 1.00 0.00 N ATOM 59 CA THR A2567 3.412 1.803 4.806 1.00 0.00 C ATOM 60 C THR A2567 1.958 2.049 4.411 1.00 0.00 C ATOM 61 O THR A2567 1.415 1.333 3.570 1.00 0.00 O ATOM 62 CB THR A2567 4.365 2.277 3.678 1.00 0.00 C ATOM 63 OG1 THR A2567 5.722 1.993 4.054 1.00 0.00 O ATOM 64 CG2 THR A2567 4.231 3.775 3.424 1.00 0.00 C ATOM 0 H THR A2567 4.230 -0.101 4.455 1.00 0.00 H new ATOM 0 HA THR A2567 3.664 2.372 5.701 1.00 0.00 H new ATOM 0 HB THR A2567 4.096 1.746 2.765 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.327 2.290 3.343 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.914 4.071 2.628 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.207 4.004 3.128 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.477 4.322 4.334 1.00 0.00 H new ATOM 72 N ARG A2568 1.322 2.989 5.053 1.00 0.00 N ATOM 73 CA ARG A2568 -0.077 3.229 4.811 1.00 0.00 C ATOM 74 C ARG A2568 -0.252 4.163 3.645 1.00 0.00 C ATOM 75 O ARG A2568 0.599 5.030 3.391 1.00 0.00 O ATOM 76 CB ARG A2568 -0.781 3.824 6.033 1.00 0.00 C ATOM 77 CG ARG A2568 -0.664 3.045 7.330 1.00 0.00 C ATOM 78 CD ARG A2568 -1.201 1.631 7.221 1.00 0.00 C ATOM 79 NE ARG A2568 -1.318 1.011 8.563 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.719 -0.103 9.007 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.229 -0.686 8.309 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.014 -0.574 10.209 1.00 0.00 N ATOM 0 H ARG A2568 1.748 3.602 5.748 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.530 2.262 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.385 4.826 6.200 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.839 3.935 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.383 3.008 7.632 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.204 3.574 8.115 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.176 1.643 6.734 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.540 1.033 6.595 1.00 0.00 H new ATOM 0 HE ARG A2568 -1.927 1.489 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.520 -0.291 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A2568 0.674 -1.533 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.695 -0.089 10.794 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -0.560 -1.421 10.550 1.00 0.00 H new ATOM 96 N ILE A2569 -1.338 3.999 2.943 1.00 0.00 N ATOM 97 CA ILE A2569 -1.638 4.803 1.808 1.00 0.00 C ATOM 98 C ILE A2569 -2.974 5.514 2.071 1.00 0.00 C ATOM 99 O ILE A2569 -4.038 4.904 1.981 1.00 0.00 O ATOM 100 CB ILE A2569 -1.762 3.922 0.533 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.564 2.929 0.429 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.850 4.803 -0.717 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.801 3.575 0.224 1.00 0.00 C ATOM 0 H ILE A2569 -2.044 3.293 3.151 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.839 5.527 1.647 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.678 3.336 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.531 2.329 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.752 2.244 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.936 4.172 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.725 5.450 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.952 5.415 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.565 2.800 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.796 4.151 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.020 4.237 1.062 1.00 0.00 H new ATOM 115 N PRO A2570 -2.916 6.785 2.484 1.00 0.00 N ATOM 116 CA PRO A2570 -4.108 7.599 2.741 1.00 0.00 C ATOM 117 C PRO A2570 -4.935 7.854 1.474 1.00 0.00 C ATOM 118 O PRO A2570 -4.521 8.596 0.565 1.00 0.00 O ATOM 119 CB PRO A2570 -3.561 8.914 3.312 1.00 0.00 C ATOM 120 CG PRO A2570 -2.129 8.652 3.638 1.00 0.00 C ATOM 121 CD PRO A2570 -1.682 7.498 2.787 1.00 0.00 C ATOM 0 HA PRO A2570 -4.791 7.092 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -3.655 9.724 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -4.116 9.215 4.201 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.522 9.535 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -2.012 8.417 4.696 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.186 7.840 1.879 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -0.973 6.862 3.317 1.00 0.00 H new ATOM 129 N VAL A2571 -6.097 7.242 1.421 1.00 0.00 N ATOM 130 CA VAL A2571 -6.982 7.311 0.272 1.00 0.00 C ATOM 131 C VAL A2571 -8.425 7.598 0.709 1.00 0.00 C ATOM 132 O VAL A2571 -8.729 7.615 1.905 1.00 0.00 O ATOM 133 CB VAL A2571 -6.947 5.992 -0.554 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.584 5.778 -1.192 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.300 4.799 0.318 1.00 0.00 C ATOM 0 H VAL A2571 -6.462 6.673 2.185 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.627 8.127 -0.357 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.690 6.083 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.591 4.849 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.359 6.611 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.823 5.720 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.269 3.889 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.583 4.721 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.302 4.931 0.726 1.00 0.00 H new ATOM 145 N ILE A2572 -9.292 7.828 -0.253 1.00 0.00 N ATOM 146 CA ILE A2572 -10.697 8.105 0.000 1.00 0.00 C ATOM 147 C ILE A2572 -11.542 7.552 -1.166 1.00 0.00 C ATOM 148 O ILE A2572 -11.079 7.535 -2.296 1.00 0.00 O ATOM 149 CB ILE A2572 -10.927 9.657 0.163 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.411 9.988 0.395 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.369 10.438 -1.031 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.701 11.452 0.578 1.00 0.00 C ATOM 0 H ILE A2572 -9.044 7.829 -1.242 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.002 7.618 0.926 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.376 9.971 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.989 9.619 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.757 9.449 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.546 11.503 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.298 10.256 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.866 10.111 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.770 11.594 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.154 11.826 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.390 11.999 -0.312 1.00 0.00 H new ATOM 164 N ASN A2573 -12.740 7.051 -0.895 1.00 0.00 N ATOM 165 CA ASN A2573 -13.614 6.602 -1.983 1.00 0.00 C ATOM 166 C ASN A2573 -14.680 7.634 -2.172 1.00 0.00 C ATOM 167 O ASN A2573 -15.454 7.886 -1.245 1.00 0.00 O ATOM 168 CB ASN A2573 -14.309 5.249 -1.723 1.00 0.00 C ATOM 169 CG ASN A2573 -14.961 4.707 -3.016 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.524 5.005 -4.110 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.994 3.919 -2.903 1.00 0.00 N ATOM 0 H ASN A2573 -13.127 6.945 0.043 1.00 0.00 H new ATOM 0 HA ASN A2573 -12.980 6.468 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.582 4.528 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.068 5.368 -0.950 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.444 3.546 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.352 3.676 -1.979 1.00 0.00 H new ATOM 178 N LEU A2574 -14.751 8.207 -3.354 1.00 0.00 N ATOM 179 CA LEU A2574 -15.711 9.277 -3.631 1.00 0.00 C ATOM 180 C LEU A2574 -17.155 8.770 -3.583 1.00 0.00 C ATOM 181 O LEU A2574 -18.069 9.512 -3.246 1.00 0.00 O ATOM 182 CB LEU A2574 -15.415 9.939 -4.981 1.00 0.00 C ATOM 183 CG LEU A2574 -14.035 10.604 -5.136 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.924 11.264 -6.497 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.793 11.623 -4.027 1.00 0.00 C ATOM 0 H LEU A2574 -14.159 7.956 -4.146 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.599 10.025 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.519 9.184 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -16.179 10.694 -5.165 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.270 9.831 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.944 11.731 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -14.048 10.513 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.700 12.023 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.812 12.078 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.560 12.396 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.834 11.124 -3.059 1.00 0.00 H new ATOM 197 N GLU A2575 -17.334 7.499 -3.898 1.00 0.00 N ATOM 198 CA GLU A2575 -18.650 6.866 -3.890 1.00 0.00 C ATOM 199 C GLU A2575 -19.221 6.696 -2.483 1.00 0.00 C ATOM 200 O GLU A2575 -20.368 7.062 -2.222 1.00 0.00 O ATOM 201 CB GLU A2575 -18.584 5.524 -4.596 1.00 0.00 C ATOM 202 CG GLU A2575 -18.386 5.636 -6.087 1.00 0.00 C ATOM 203 CD GLU A2575 -19.589 6.226 -6.758 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.528 5.469 -7.059 1.00 0.00 O ATOM 205 OE2 GLU A2575 -19.639 7.450 -6.961 1.00 0.00 O ATOM 0 H GLU A2575 -16.575 6.873 -4.167 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.327 7.533 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -17.767 4.940 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.505 4.974 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.513 6.255 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.183 4.649 -6.503 1.00 0.00 H new ATOM 212 N ASP A2576 -18.430 6.135 -1.587 1.00 0.00 N ATOM 213 CA ASP A2576 -18.886 5.891 -0.205 1.00 0.00 C ATOM 214 C ASP A2576 -18.789 7.136 0.611 1.00 0.00 C ATOM 215 O ASP A2576 -19.656 7.434 1.428 1.00 0.00 O ATOM 216 CB ASP A2576 -18.023 4.845 0.525 1.00 0.00 C ATOM 217 CG ASP A2576 -18.111 3.452 0.000 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.964 2.684 0.465 1.00 0.00 O ATOM 219 OD2 ASP A2576 -17.299 3.091 -0.842 1.00 0.00 O ATOM 0 H ASP A2576 -17.473 5.837 -1.776 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.913 5.538 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -16.982 5.165 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.309 4.836 1.577 1.00 0.00 H new ATOM 224 N GLY A2577 -17.721 7.864 0.387 1.00 0.00 N ATOM 225 CA GLY A2577 -17.393 8.960 1.242 1.00 0.00 C ATOM 226 C GLY A2577 -16.479 8.461 2.346 1.00 0.00 C ATOM 227 O GLY A2577 -16.205 9.166 3.326 1.00 0.00 O ATOM 0 H GLY A2577 -17.069 7.711 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.902 9.749 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.299 9.391 1.668 1.00 0.00 H new ATOM 231 N THR A2578 -16.013 7.218 2.182 1.00 0.00 N ATOM 232 CA THR A2578 -15.144 6.587 3.136 1.00 0.00 C ATOM 233 C THR A2578 -13.762 7.191 2.952 1.00 0.00 C ATOM 234 O THR A2578 -13.353 7.473 1.819 1.00 0.00 O ATOM 235 CB THR A2578 -15.122 5.009 2.959 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.559 4.376 4.110 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.315 4.565 1.742 1.00 0.00 C ATOM 0 H THR A2578 -16.238 6.634 1.377 1.00 0.00 H new ATOM 0 HA THR A2578 -15.504 6.764 4.149 1.00 0.00 H new ATOM 0 HB THR A2578 -16.162 4.712 2.822 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.557 3.405 3.981 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.334 3.478 1.670 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.750 4.996 0.840 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.284 4.904 1.846 1.00 0.00 H new ATOM 245 N ARG A2579 -13.053 7.393 4.018 1.00 0.00 N ATOM 246 CA ARG A2579 -11.797 8.050 3.944 1.00 0.00 C ATOM 247 C ARG A2579 -10.896 7.341 4.872 1.00 0.00 C ATOM 248 O ARG A2579 -11.203 7.189 6.058 1.00 0.00 O ATOM 249 CB ARG A2579 -11.932 9.526 4.336 1.00 0.00 C ATOM 250 CG ARG A2579 -10.652 10.316 4.148 1.00 0.00 C ATOM 251 CD ARG A2579 -10.827 11.777 4.524 1.00 0.00 C ATOM 252 NE ARG A2579 -9.596 12.549 4.304 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.071 13.441 5.156 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.685 13.736 6.300 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.930 14.039 4.847 1.00 0.00 N ATOM 0 H ARG A2579 -13.331 7.107 4.957 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.404 8.029 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.723 9.982 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.241 9.591 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.862 9.877 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.331 10.245 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.637 12.209 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.119 11.850 5.571 1.00 0.00 H new ATOM 0 HE ARG A2579 -9.098 12.393 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.567 13.281 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.274 14.417 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.460 13.819 3.969 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.521 14.719 5.487 1.00 0.00 H new ATOM 269 N LEU A2580 -9.809 6.901 4.368 1.00 0.00 N ATOM 270 CA LEU A2580 -8.929 6.095 5.116 1.00 0.00 C ATOM 271 C LEU A2580 -7.566 6.710 5.062 1.00 0.00 C ATOM 272 O LEU A2580 -6.811 6.498 4.110 1.00 0.00 O ATOM 273 CB LEU A2580 -8.905 4.644 4.575 1.00 0.00 C ATOM 274 CG LEU A2580 -10.256 3.879 4.470 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.056 3.905 5.755 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.080 4.323 3.276 1.00 0.00 C ATOM 0 H LEU A2580 -9.502 7.092 3.414 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.269 6.043 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.456 4.666 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.240 4.061 5.213 1.00 0.00 H new ATOM 0 HG LEU A2580 -9.991 2.835 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.986 3.354 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.477 3.442 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.282 4.937 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.013 3.759 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.301 5.387 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.519 4.142 2.359 1.00 0.00 H new ATOM 288 N VAL A2581 -7.289 7.537 6.019 1.00 0.00 N ATOM 289 CA VAL A2581 -6.023 8.195 6.104 1.00 0.00 C ATOM 290 C VAL A2581 -5.414 7.893 7.450 1.00 0.00 C ATOM 291 O VAL A2581 -6.139 7.545 8.390 1.00 0.00 O ATOM 292 CB VAL A2581 -6.129 9.739 5.874 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.720 10.033 4.511 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.961 10.416 6.940 1.00 0.00 C ATOM 0 H VAL A2581 -7.938 7.777 6.768 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.384 7.816 5.306 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.117 10.139 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.786 11.112 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.083 9.603 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.716 9.596 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.007 11.487 6.740 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.969 10.002 6.933 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.507 10.249 7.917 1.00 0.00 H new ATOM 304 N GLY A2582 -4.111 7.950 7.529 1.00 0.00 N ATOM 305 CA GLY A2582 -3.444 7.701 8.773 1.00 0.00 C ATOM 306 C GLY A2582 -3.417 6.250 9.114 1.00 0.00 C ATOM 307 O GLY A2582 -2.900 5.438 8.360 1.00 0.00 O ATOM 0 H GLY A2582 -3.494 8.167 6.746 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.423 8.079 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.946 8.251 9.569 1.00 0.00 H new ATOM 311 N GLU A2583 -4.034 5.923 10.205 1.00 0.00 N ATOM 312 CA GLU A2583 -4.034 4.572 10.719 1.00 0.00 C ATOM 313 C GLU A2583 -5.099 3.728 10.031 1.00 0.00 C ATOM 314 O GLU A2583 -4.954 2.518 9.886 1.00 0.00 O ATOM 315 CB GLU A2583 -4.272 4.603 12.219 1.00 0.00 C ATOM 316 CG GLU A2583 -3.230 5.403 12.984 1.00 0.00 C ATOM 317 CD GLU A2583 -1.857 4.798 12.878 1.00 0.00 C ATOM 318 OE1 GLU A2583 -1.596 3.804 13.579 1.00 0.00 O ATOM 319 OE2 GLU A2583 -1.017 5.294 12.109 1.00 0.00 O ATOM 0 H GLU A2583 -4.559 6.585 10.776 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.064 4.118 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -5.258 5.026 12.413 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.283 3.581 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -3.206 6.424 12.602 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -3.519 5.462 14.033 1.00 0.00 H new ATOM 326 N ASP A2584 -6.155 4.384 9.581 1.00 0.00 N ATOM 327 CA ASP A2584 -7.259 3.688 8.902 1.00 0.00 C ATOM 328 C ASP A2584 -6.927 3.425 7.467 1.00 0.00 C ATOM 329 O ASP A2584 -7.643 2.699 6.775 1.00 0.00 O ATOM 330 CB ASP A2584 -8.565 4.475 8.970 1.00 0.00 C ATOM 331 CG ASP A2584 -9.194 4.463 10.329 1.00 0.00 C ATOM 332 OD1 ASP A2584 -9.942 3.517 10.636 1.00 0.00 O ATOM 333 OD2 ASP A2584 -8.985 5.420 11.099 1.00 0.00 O ATOM 0 H ASP A2584 -6.281 5.393 9.668 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.395 2.743 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.375 5.507 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.269 4.061 8.248 1.00 0.00 H new ATOM 338 N ALA A2585 -5.852 4.020 7.026 1.00 0.00 N ATOM 339 CA ALA A2585 -5.392 3.889 5.671 1.00 0.00 C ATOM 340 C ALA A2585 -4.916 2.469 5.406 1.00 0.00 C ATOM 341 O ALA A2585 -4.277 1.849 6.272 1.00 0.00 O ATOM 342 CB ALA A2585 -4.279 4.878 5.421 1.00 0.00 C ATOM 0 H ALA A2585 -5.263 4.618 7.606 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.216 4.101 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -3.929 4.780 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.649 5.890 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.455 4.679 6.106 1.00 0.00 H new ATOM 348 N PRO A2586 -5.248 1.917 4.234 1.00 0.00 N ATOM 349 CA PRO A2586 -4.818 0.585 3.856 1.00 0.00 C ATOM 350 C PRO A2586 -3.298 0.523 3.726 1.00 0.00 C ATOM 351 O PRO A2586 -2.639 1.531 3.414 1.00 0.00 O ATOM 352 CB PRO A2586 -5.501 0.329 2.501 1.00 0.00 C ATOM 353 CG PRO A2586 -5.887 1.676 1.990 1.00 0.00 C ATOM 354 CD PRO A2586 -6.071 2.554 3.191 1.00 0.00 C ATOM 0 HA PRO A2586 -5.087 -0.165 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.825 -0.174 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.375 -0.312 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.116 2.076 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.806 1.620 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.743 3.574 2.992 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.118 2.608 3.488 1.00 0.00 H new ATOM 362 N LYS A2587 -2.735 -0.633 3.990 1.00 0.00 N ATOM 363 CA LYS A2587 -1.299 -0.776 3.931 1.00 0.00 C ATOM 364 C LYS A2587 -0.904 -0.970 2.485 1.00 0.00 C ATOM 365 O LYS A2587 -1.734 -1.347 1.667 1.00 0.00 O ATOM 366 CB LYS A2587 -0.764 -1.990 4.725 1.00 0.00 C ATOM 367 CG LYS A2587 -1.506 -2.416 5.986 1.00 0.00 C ATOM 368 CD LYS A2587 -2.646 -3.332 5.612 1.00 0.00 C ATOM 369 CE LYS A2587 -3.297 -3.999 6.792 1.00 0.00 C ATOM 370 NZ LYS A2587 -4.327 -4.940 6.324 1.00 0.00 N ATOM 0 H LYS A2587 -3.243 -1.480 4.245 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.872 0.123 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -0.741 -2.845 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.268 -1.776 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.825 -2.925 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.886 -1.540 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -3.398 -2.759 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -2.276 -4.098 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -2.548 -4.528 7.382 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -3.745 -3.249 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -4.449 -5.698 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -5.228 -4.435 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -4.033 -5.353 5.416 1.00 0.00 H new ATOM 384 N ASN A2588 0.360 -0.765 2.193 1.00 0.00 N ATOM 385 CA ASN A2588 0.922 -0.913 0.847 1.00 0.00 C ATOM 386 C ASN A2588 0.662 -2.320 0.285 1.00 0.00 C ATOM 387 O ASN A2588 0.458 -2.493 -0.919 1.00 0.00 O ATOM 388 CB ASN A2588 2.428 -0.613 0.875 1.00 0.00 C ATOM 389 CG ASN A2588 3.106 -0.672 -0.514 1.00 0.00 C ATOM 390 OD1 ASN A2588 4.272 -1.079 -0.650 1.00 0.00 O ATOM 391 ND2 ASN A2588 2.418 -0.238 -1.536 1.00 0.00 N ATOM 0 H ASN A2588 1.050 -0.485 2.890 1.00 0.00 H new ATOM 0 HA ASN A2588 0.428 -0.199 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.583 0.378 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.918 -1.326 1.538 1.00 0.00 H new ATOM 0 HD21 ASN A2588 2.837 -0.229 -2.466 1.00 0.00 H new ATOM 0 HD22 ASN A2588 1.462 0.092 -1.404 1.00 0.00 H new ATOM 398 N LYS A2589 0.642 -3.309 1.162 1.00 0.00 N ATOM 399 CA LYS A2589 0.364 -4.681 0.758 1.00 0.00 C ATOM 400 C LYS A2589 -1.103 -4.874 0.314 1.00 0.00 C ATOM 401 O LYS A2589 -1.371 -5.532 -0.682 1.00 0.00 O ATOM 402 CB LYS A2589 0.723 -5.677 1.873 1.00 0.00 C ATOM 403 CG LYS A2589 0.076 -5.367 3.221 1.00 0.00 C ATOM 404 CD LYS A2589 0.272 -6.488 4.231 1.00 0.00 C ATOM 405 CE LYS A2589 -0.474 -7.750 3.810 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.342 -8.832 4.802 1.00 0.00 N ATOM 0 H LYS A2589 0.815 -3.190 2.160 1.00 0.00 H new ATOM 0 HA LYS A2589 0.998 -4.885 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.424 -6.678 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A2589 1.806 -5.692 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.498 -4.445 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.990 -5.193 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.335 -6.708 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A2589 -0.081 -6.164 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -1.529 -7.516 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -0.092 -8.092 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -0.865 -9.669 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 0.662 -9.075 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -0.731 -8.516 5.714 1.00 0.00 H new ATOM 420 N ASP A2590 -2.042 -4.277 1.036 1.00 0.00 N ATOM 421 CA ASP A2590 -3.480 -4.456 0.724 1.00 0.00 C ATOM 422 C ASP A2590 -3.953 -3.430 -0.284 1.00 0.00 C ATOM 423 O ASP A2590 -5.044 -3.555 -0.844 1.00 0.00 O ATOM 424 CB ASP A2590 -4.369 -4.358 1.977 1.00 0.00 C ATOM 425 CG ASP A2590 -4.303 -5.555 2.921 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.400 -5.623 3.767 1.00 0.00 O ATOM 427 OD2 ASP A2590 -5.217 -6.425 2.863 1.00 0.00 O ATOM 0 H ASP A2590 -1.852 -3.670 1.834 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.573 -5.459 0.307 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.088 -3.463 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.403 -4.224 1.659 1.00 0.00 H new ATOM 432 N LEU A2591 -3.114 -2.436 -0.511 1.00 0.00 N ATOM 433 CA LEU A2591 -3.376 -1.299 -1.395 1.00 0.00 C ATOM 434 C LEU A2591 -3.924 -1.738 -2.756 1.00 0.00 C ATOM 435 O LEU A2591 -4.987 -1.296 -3.165 1.00 0.00 O ATOM 436 CB LEU A2591 -2.067 -0.436 -1.504 1.00 0.00 C ATOM 437 CG LEU A2591 -2.027 0.800 -2.446 1.00 0.00 C ATOM 438 CD1 LEU A2591 -1.838 0.420 -3.887 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.248 1.686 -2.248 1.00 0.00 C ATOM 0 H LEU A2591 -2.195 -2.390 -0.071 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.164 -0.679 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.825 -0.087 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.263 -1.104 -1.812 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.149 1.382 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -1.817 1.320 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -0.897 -0.119 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.662 -0.218 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.190 2.541 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.151 1.115 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.279 2.037 -1.217 1.00 0.00 H new ATOM 451 N VAL A2592 -3.232 -2.640 -3.416 1.00 0.00 N ATOM 452 CA VAL A2592 -3.625 -3.079 -4.753 1.00 0.00 C ATOM 453 C VAL A2592 -5.015 -3.734 -4.779 1.00 0.00 C ATOM 454 O VAL A2592 -5.777 -3.584 -5.740 1.00 0.00 O ATOM 455 CB VAL A2592 -2.584 -4.030 -5.384 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.318 -3.269 -5.735 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.259 -5.177 -4.435 1.00 0.00 C ATOM 0 H VAL A2592 -2.391 -3.090 -3.055 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.672 -2.170 -5.353 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.010 -4.446 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.594 -3.952 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.554 -2.478 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.896 -2.829 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.524 -5.835 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.853 -4.777 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.167 -5.741 -4.221 1.00 0.00 H new ATOM 467 N GLU A2593 -5.344 -4.438 -3.720 1.00 0.00 N ATOM 468 CA GLU A2593 -6.606 -5.108 -3.616 1.00 0.00 C ATOM 469 C GLU A2593 -7.702 -4.105 -3.376 1.00 0.00 C ATOM 470 O GLU A2593 -8.729 -4.132 -4.037 1.00 0.00 O ATOM 471 CB GLU A2593 -6.556 -6.132 -2.513 1.00 0.00 C ATOM 472 CG GLU A2593 -5.522 -7.213 -2.751 1.00 0.00 C ATOM 473 CD GLU A2593 -5.509 -8.237 -1.671 1.00 0.00 C ATOM 474 OE1 GLU A2593 -4.914 -7.987 -0.611 1.00 0.00 O ATOM 475 OE2 GLU A2593 -6.100 -9.317 -1.851 1.00 0.00 O ATOM 0 H GLU A2593 -4.738 -4.558 -2.908 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.818 -5.626 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.338 -5.631 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.538 -6.594 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.722 -7.699 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.535 -6.757 -2.827 1.00 0.00 H new ATOM 482 N TRP A2594 -7.436 -3.183 -2.467 1.00 0.00 N ATOM 483 CA TRP A2594 -8.374 -2.121 -2.105 1.00 0.00 C ATOM 484 C TRP A2594 -8.727 -1.294 -3.351 1.00 0.00 C ATOM 485 O TRP A2594 -9.837 -0.820 -3.502 1.00 0.00 O ATOM 486 CB TRP A2594 -7.749 -1.217 -1.025 1.00 0.00 C ATOM 487 CG TRP A2594 -8.744 -0.362 -0.291 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.392 -0.698 0.859 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.212 0.957 -0.641 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.230 0.312 1.242 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.141 1.335 0.346 1.00 0.00 C ATOM 492 CE3 TRP A2594 -8.947 1.853 -1.685 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.800 2.558 0.320 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.603 3.056 -1.698 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.520 3.403 -0.705 1.00 0.00 C ATOM 0 H TRP A2594 -6.556 -3.145 -1.952 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.286 -2.566 -1.706 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.221 -1.841 -0.304 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.006 -0.571 -1.492 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.262 -1.629 1.392 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.828 0.302 2.068 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.241 1.601 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.510 2.827 1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.405 3.754 -2.498 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.016 4.361 -0.753 1.00 0.00 H new ATOM 506 N LEU A2595 -7.768 -1.173 -4.243 1.00 0.00 N ATOM 507 CA LEU A2595 -7.933 -0.447 -5.502 1.00 0.00 C ATOM 508 C LEU A2595 -8.864 -1.160 -6.452 1.00 0.00 C ATOM 509 O LEU A2595 -9.566 -0.521 -7.242 1.00 0.00 O ATOM 510 CB LEU A2595 -6.580 -0.186 -6.146 1.00 0.00 C ATOM 511 CG LEU A2595 -5.850 1.095 -5.721 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.077 1.436 -4.255 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.376 0.949 -5.994 1.00 0.00 C ATOM 0 H LEU A2595 -6.839 -1.577 -4.122 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.397 0.512 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.931 -1.035 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.718 -0.157 -7.227 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.261 1.917 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.539 2.351 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.142 1.582 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.713 0.620 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.858 1.859 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -3.983 0.104 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.218 0.778 -7.059 1.00 0.00 H new ATOM 525 N LYS A2596 -8.852 -2.472 -6.408 1.00 0.00 N ATOM 526 CA LYS A2596 -9.782 -3.248 -7.216 1.00 0.00 C ATOM 527 C LYS A2596 -11.175 -3.193 -6.596 1.00 0.00 C ATOM 528 O LYS A2596 -12.186 -3.164 -7.300 1.00 0.00 O ATOM 529 CB LYS A2596 -9.321 -4.694 -7.372 1.00 0.00 C ATOM 530 CG LYS A2596 -7.955 -4.831 -8.020 1.00 0.00 C ATOM 531 CD LYS A2596 -7.598 -6.286 -8.301 1.00 0.00 C ATOM 532 CE LYS A2596 -8.512 -6.908 -9.357 1.00 0.00 C ATOM 533 NZ LYS A2596 -8.436 -6.194 -10.649 1.00 0.00 N ATOM 0 H LYS A2596 -8.219 -3.025 -5.830 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.814 -2.808 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.297 -5.167 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -10.053 -5.237 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.938 -4.267 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.199 -4.392 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.563 -6.347 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.668 -6.861 -7.378 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -8.237 -7.952 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -9.541 -6.897 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -8.860 -6.781 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -8.954 -5.295 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -7.441 -6.003 -10.882 1.00 0.00 H new ATOM 547 N LEU A2597 -11.207 -3.167 -5.273 1.00 0.00 N ATOM 548 CA LEU A2597 -12.446 -3.041 -4.521 1.00 0.00 C ATOM 549 C LEU A2597 -13.076 -1.667 -4.726 1.00 0.00 C ATOM 550 O LEU A2597 -14.294 -1.546 -4.857 1.00 0.00 O ATOM 551 CB LEU A2597 -12.224 -3.307 -3.013 1.00 0.00 C ATOM 552 CG LEU A2597 -12.257 -4.777 -2.515 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.242 -5.667 -3.208 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.061 -4.825 -1.008 1.00 0.00 C ATOM 0 H LEU A2597 -10.373 -3.233 -4.689 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.132 -3.798 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.257 -2.884 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -12.983 -2.752 -2.462 1.00 0.00 H new ATOM 0 HG LEU A2597 -13.240 -5.172 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.318 -6.680 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.440 -5.679 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -10.238 -5.282 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.086 -5.861 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.098 -4.383 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.858 -4.265 -0.519 1.00 0.00 H new ATOM 566 N HIS A2598 -12.246 -0.640 -4.769 1.00 0.00 N ATOM 567 CA HIS A2598 -12.708 0.728 -4.940 1.00 0.00 C ATOM 568 C HIS A2598 -12.054 1.392 -6.149 1.00 0.00 C ATOM 569 O HIS A2598 -11.071 2.113 -6.014 1.00 0.00 O ATOM 570 CB HIS A2598 -12.456 1.578 -3.676 1.00 0.00 C ATOM 571 CG HIS A2598 -13.171 1.071 -2.434 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.457 1.432 -2.074 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.749 0.223 -1.465 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.765 0.818 -0.933 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.762 0.065 -0.512 1.00 0.00 N ATOM 0 H HIS A2598 -11.233 -0.730 -4.687 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.783 0.675 -5.111 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.384 1.607 -3.479 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.772 2.603 -3.871 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.782 -0.256 -1.433 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.709 0.921 -0.419 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.733 -0.510 0.330 1.00 0.00 H new ATOM 583 N PRO A2599 -12.567 1.137 -7.360 1.00 0.00 N ATOM 584 CA PRO A2599 -12.022 1.731 -8.585 1.00 0.00 C ATOM 585 C PRO A2599 -12.295 3.239 -8.664 1.00 0.00 C ATOM 586 O PRO A2599 -11.596 3.969 -9.341 1.00 0.00 O ATOM 587 CB PRO A2599 -12.754 0.986 -9.709 1.00 0.00 C ATOM 588 CG PRO A2599 -14.011 0.484 -9.084 1.00 0.00 C ATOM 589 CD PRO A2599 -13.686 0.220 -7.641 1.00 0.00 C ATOM 0 HA PRO A2599 -10.938 1.634 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.968 1.648 -10.548 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.151 0.165 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.811 1.219 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.355 -0.425 -9.578 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.540 0.422 -6.995 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.402 -0.820 -7.479 1.00 0.00 H new ATOM 597 N THR A2600 -13.268 3.685 -7.918 1.00 0.00 N ATOM 598 CA THR A2600 -13.683 5.070 -7.896 1.00 0.00 C ATOM 599 C THR A2600 -13.018 5.820 -6.753 1.00 0.00 C ATOM 600 O THR A2600 -13.529 6.849 -6.274 1.00 0.00 O ATOM 601 CB THR A2600 -15.191 5.107 -7.700 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.541 4.139 -6.684 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.916 4.791 -8.994 1.00 0.00 C ATOM 0 H THR A2600 -13.809 3.087 -7.293 1.00 0.00 H new ATOM 0 HA THR A2600 -13.394 5.546 -8.833 1.00 0.00 H new ATOM 0 HB THR A2600 -15.492 6.108 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.194 4.435 -5.817 1.00 0.00 H new ATOM 0 HG21 THR A2600 -16.992 4.824 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.644 5.526 -9.752 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.633 3.795 -9.336 1.00 0.00 H new ATOM 611 N TYR A2601 -11.880 5.342 -6.326 1.00 0.00 N ATOM 612 CA TYR A2601 -11.240 5.945 -5.208 1.00 0.00 C ATOM 613 C TYR A2601 -10.357 7.102 -5.678 1.00 0.00 C ATOM 614 O TYR A2601 -10.148 7.303 -6.874 1.00 0.00 O ATOM 615 CB TYR A2601 -10.407 4.915 -4.427 1.00 0.00 C ATOM 616 CG TYR A2601 -8.997 4.732 -4.933 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.734 4.131 -6.147 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.934 5.185 -4.185 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.452 4.002 -6.602 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.651 5.054 -4.621 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.402 4.465 -5.831 1.00 0.00 C ATOM 622 OH TYR A2601 -5.102 4.358 -6.291 1.00 0.00 O ATOM 0 H TYR A2601 -11.389 4.547 -6.735 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.007 6.332 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.367 5.218 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.919 3.953 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.552 3.758 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.122 5.655 -3.231 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.260 3.541 -7.559 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.833 5.413 -4.014 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.488 4.733 -5.626 1.00 0.00 H new ATOM 632 N THR A2602 -9.883 7.850 -4.748 1.00 0.00 N ATOM 633 CA THR A2602 -9.013 8.952 -4.969 1.00 0.00 C ATOM 634 C THR A2602 -7.952 8.926 -3.868 1.00 0.00 C ATOM 635 O THR A2602 -8.229 8.449 -2.761 1.00 0.00 O ATOM 636 CB THR A2602 -9.846 10.251 -4.915 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.845 10.198 -5.941 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.002 11.492 -5.105 1.00 0.00 C ATOM 0 H THR A2602 -10.101 7.704 -3.762 1.00 0.00 H new ATOM 0 HA THR A2602 -8.524 8.900 -5.942 1.00 0.00 H new ATOM 0 HB THR A2602 -10.298 10.316 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.824 11.028 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.639 12.376 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.250 11.544 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.509 11.451 -6.076 1.00 0.00 H new ATOM 646 N VAL A2603 -6.751 9.349 -4.170 1.00 0.00 N ATOM 647 CA VAL A2603 -5.706 9.394 -3.178 1.00 0.00 C ATOM 648 C VAL A2603 -5.846 10.695 -2.391 1.00 0.00 C ATOM 649 O VAL A2603 -5.932 11.781 -2.978 1.00 0.00 O ATOM 650 CB VAL A2603 -4.288 9.296 -3.818 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.206 9.246 -2.749 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.182 8.074 -4.725 1.00 0.00 C ATOM 0 H VAL A2603 -6.471 9.668 -5.098 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.812 8.534 -2.516 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.138 10.192 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.228 9.178 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.252 10.150 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.362 8.374 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.183 8.029 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.366 7.171 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.921 8.148 -5.523 1.00 0.00 H new ATOM 662 N ASP A2604 -5.902 10.588 -1.083 1.00 0.00 N ATOM 663 CA ASP A2604 -6.081 11.762 -0.222 1.00 0.00 C ATOM 664 C ASP A2604 -4.721 12.372 0.079 1.00 0.00 C ATOM 665 O ASP A2604 -4.575 13.587 0.298 1.00 0.00 O ATOM 666 CB ASP A2604 -6.792 11.364 1.079 1.00 0.00 C ATOM 667 CG ASP A2604 -7.113 12.547 1.981 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.195 13.155 1.824 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.316 12.867 2.892 1.00 0.00 O ATOM 0 H ASP A2604 -5.827 9.704 -0.580 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.700 12.498 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.717 10.843 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.165 10.660 1.626 1.00 0.00 H new ATOM 674 N MET A2605 -3.725 11.512 0.058 1.00 0.00 N ATOM 675 CA MET A2605 -2.349 11.890 0.289 1.00 0.00 C ATOM 676 C MET A2605 -1.834 12.698 -0.920 1.00 0.00 C ATOM 677 O MET A2605 -2.027 12.290 -2.068 1.00 0.00 O ATOM 678 CB MET A2605 -1.505 10.620 0.481 1.00 0.00 C ATOM 679 CG MET A2605 -0.102 10.854 1.004 1.00 0.00 C ATOM 680 SD MET A2605 -0.097 11.582 2.656 1.00 0.00 S ATOM 681 CE MET A2605 1.667 11.685 2.976 1.00 0.00 C ATOM 0 H MET A2605 -3.851 10.516 -0.123 1.00 0.00 H new ATOM 0 HA MET A2605 -2.274 12.507 1.184 1.00 0.00 H new ATOM 0 HB2 MET A2605 -2.027 9.956 1.170 1.00 0.00 H new ATOM 0 HB3 MET A2605 -1.438 10.099 -0.474 1.00 0.00 H new ATOM 0 HG2 MET A2605 0.438 9.907 1.025 1.00 0.00 H new ATOM 0 HG3 MET A2605 0.434 11.511 0.319 1.00 0.00 H new ATOM 0 HE1 MET A2605 1.832 12.067 3.984 1.00 0.00 H new ATOM 0 HE2 MET A2605 2.112 10.694 2.886 1.00 0.00 H new ATOM 0 HE3 MET A2605 2.129 12.357 2.253 1.00 0.00 H new ATOM 691 N PRO A2606 -1.196 13.860 -0.684 1.00 0.00 N ATOM 692 CA PRO A2606 -0.696 14.718 -1.766 1.00 0.00 C ATOM 693 C PRO A2606 0.418 14.044 -2.569 1.00 0.00 C ATOM 694 O PRO A2606 0.415 14.059 -3.795 1.00 0.00 O ATOM 695 CB PRO A2606 -0.160 15.960 -1.033 1.00 0.00 C ATOM 696 CG PRO A2606 0.066 15.523 0.376 1.00 0.00 C ATOM 697 CD PRO A2606 -0.930 14.435 0.648 1.00 0.00 C ATOM 0 HA PRO A2606 -1.474 14.948 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A2606 0.765 16.315 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A2606 -0.874 16.782 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A2606 1.085 15.159 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A2606 -0.070 16.355 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A2606 -0.529 13.688 1.333 1.00 0.00 H new ATOM 0 HD3 PRO A2606 -1.839 14.829 1.102 1.00 0.00 H new ATOM 705 N SER A2607 1.335 13.445 -1.868 1.00 0.00 N ATOM 706 CA SER A2607 2.456 12.776 -2.437 1.00 0.00 C ATOM 707 C SER A2607 3.008 11.858 -1.373 1.00 0.00 C ATOM 708 O SER A2607 2.526 11.884 -0.239 1.00 0.00 O ATOM 709 CB SER A2607 3.502 13.820 -2.861 1.00 0.00 C ATOM 710 OG SER A2607 3.783 14.705 -1.782 1.00 0.00 O ATOM 0 H SER A2607 1.318 13.411 -0.849 1.00 0.00 H new ATOM 0 HA SER A2607 2.180 12.200 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A2607 4.417 13.320 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A2607 3.135 14.385 -3.718 1.00 0.00 H new ATOM 0 HG SER A2607 4.452 15.363 -2.065 1.00 0.00 H new ATOM 716 N TYR A2608 3.974 11.071 -1.709 1.00 0.00 N ATOM 717 CA TYR A2608 4.596 10.195 -0.766 1.00 0.00 C ATOM 718 C TYR A2608 6.066 10.234 -1.047 1.00 0.00 C ATOM 719 O TYR A2608 6.459 10.807 -2.065 1.00 0.00 O ATOM 720 CB TYR A2608 4.028 8.751 -0.866 1.00 0.00 C ATOM 721 CG TYR A2608 4.246 8.046 -2.204 1.00 0.00 C ATOM 722 CD1 TYR A2608 3.329 8.168 -3.244 1.00 0.00 C ATOM 723 CD2 TYR A2608 5.361 7.247 -2.412 1.00 0.00 C ATOM 724 CE1 TYR A2608 3.523 7.512 -4.447 1.00 0.00 C ATOM 725 CE2 TYR A2608 5.565 6.595 -3.608 1.00 0.00 C ATOM 726 CZ TYR A2608 4.645 6.727 -4.623 1.00 0.00 C ATOM 727 OH TYR A2608 4.844 6.068 -5.818 1.00 0.00 O ATOM 0 H TYR A2608 4.359 11.015 -2.652 1.00 0.00 H new ATOM 0 HA TYR A2608 4.393 10.519 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A2608 4.480 8.147 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A2608 2.957 8.786 -0.665 1.00 0.00 H new ATOM 0 HD1 TYR A2608 2.452 8.784 -3.110 1.00 0.00 H new ATOM 0 HD2 TYR A2608 6.085 7.134 -1.619 1.00 0.00 H new ATOM 0 HE1 TYR A2608 2.801 7.614 -5.244 1.00 0.00 H new ATOM 0 HE2 TYR A2608 6.443 5.983 -3.749 1.00 0.00 H new ATOM 0 HH TYR A2608 5.681 5.561 -5.776 1.00 0.00 H new ATOM 737 N VAL A2609 6.862 9.654 -0.175 1.00 0.00 N ATOM 738 CA VAL A2609 8.299 9.620 -0.352 1.00 0.00 C ATOM 739 C VAL A2609 8.680 8.914 -1.674 1.00 0.00 C ATOM 740 O VAL A2609 8.408 7.721 -1.865 1.00 0.00 O ATOM 741 CB VAL A2609 9.027 8.977 0.881 1.00 0.00 C ATOM 742 CG1 VAL A2609 8.498 7.578 1.206 1.00 0.00 C ATOM 743 CG2 VAL A2609 10.536 8.947 0.674 1.00 0.00 C ATOM 0 H VAL A2609 6.534 9.194 0.674 1.00 0.00 H new ATOM 0 HA VAL A2609 8.644 10.652 -0.417 1.00 0.00 H new ATOM 0 HB VAL A2609 8.808 9.612 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A2609 9.034 7.177 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A2609 7.434 7.636 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A2609 8.649 6.924 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A2609 11.014 8.496 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A2609 10.770 8.359 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A2609 10.906 9.964 0.543 1.00 0.00 H new ATOM 753 N PRO A2610 9.267 9.656 -2.626 1.00 0.00 N ATOM 754 CA PRO A2610 9.640 9.100 -3.897 1.00 0.00 C ATOM 755 C PRO A2610 10.815 8.152 -3.750 1.00 0.00 C ATOM 756 O PRO A2610 11.968 8.571 -3.574 1.00 0.00 O ATOM 757 CB PRO A2610 9.997 10.314 -4.761 1.00 0.00 C ATOM 758 CG PRO A2610 10.345 11.395 -3.793 1.00 0.00 C ATOM 759 CD PRO A2610 9.596 11.098 -2.522 1.00 0.00 C ATOM 0 HA PRO A2610 8.841 8.508 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A2610 10.835 10.094 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A2610 9.159 10.607 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A2610 11.420 11.420 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A2610 10.065 12.372 -4.187 1.00 0.00 H new ATOM 0 HD2 PRO A2610 10.205 11.306 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A2610 8.696 11.707 -2.438 1.00 0.00 H new ATOM 767 N LYS A2611 10.512 6.876 -3.730 1.00 0.00 N ATOM 768 CA LYS A2611 11.528 5.844 -3.620 1.00 0.00 C ATOM 769 C LYS A2611 12.272 5.615 -4.933 1.00 0.00 C ATOM 770 O LYS A2611 13.206 4.828 -5.014 1.00 0.00 O ATOM 771 CB LYS A2611 10.979 4.558 -2.965 1.00 0.00 C ATOM 772 CG LYS A2611 9.585 4.116 -3.420 1.00 0.00 C ATOM 773 CD LYS A2611 9.519 3.671 -4.868 1.00 0.00 C ATOM 774 CE LYS A2611 10.336 2.421 -5.113 1.00 0.00 C ATOM 775 NZ LYS A2611 10.120 1.905 -6.473 1.00 0.00 N ATOM 0 H LYS A2611 9.558 6.519 -3.789 1.00 0.00 H new ATOM 0 HA LYS A2611 12.291 6.210 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A2611 11.679 3.746 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A2611 10.958 4.704 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A2611 9.249 3.297 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A2611 8.888 4.941 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A2611 8.481 3.486 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A2611 9.881 4.473 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A2611 11.394 2.640 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A2611 10.065 1.657 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A2611 10.692 1.048 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A2611 9.114 1.675 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A2611 10.401 2.627 -7.167 1.00 0.00 H new ATOM 789 N ASN A2612 11.835 6.305 -5.944 1.00 0.00 N ATOM 790 CA ASN A2612 12.514 6.380 -7.210 1.00 0.00 C ATOM 791 C ASN A2612 12.286 7.784 -7.700 1.00 0.00 C ATOM 792 O ASN A2612 11.219 8.116 -8.195 1.00 0.00 O ATOM 793 CB ASN A2612 11.987 5.346 -8.214 1.00 0.00 C ATOM 794 CG ASN A2612 12.748 5.356 -9.539 1.00 0.00 C ATOM 795 OD1 ASN A2612 12.386 6.054 -10.477 1.00 0.00 O ATOM 796 ND2 ASN A2612 13.805 4.583 -9.620 1.00 0.00 N ATOM 0 H ASN A2612 10.972 6.848 -5.913 1.00 0.00 H new ATOM 0 HA ASN A2612 13.574 6.153 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN A2612 12.053 4.352 -7.771 1.00 0.00 H new ATOM 0 HB3 ASN A2612 10.932 5.540 -8.406 1.00 0.00 H new ATOM 0 HD21 ASN A2612 14.350 4.553 -10.482 1.00 0.00 H new ATOM 0 HD22 ASN A2612 14.082 4.013 -8.821 1.00 0.00 H new ATOM 803 N ALA A2613 13.236 8.626 -7.456 1.00 0.00 N ATOM 804 CA ALA A2613 13.083 10.028 -7.735 1.00 0.00 C ATOM 805 C ALA A2613 13.834 10.417 -8.973 1.00 0.00 C ATOM 806 O ALA A2613 14.906 9.861 -9.259 1.00 0.00 O ATOM 807 CB ALA A2613 13.544 10.856 -6.549 1.00 0.00 C ATOM 0 H ALA A2613 14.140 8.369 -7.059 1.00 0.00 H new ATOM 0 HA ALA A2613 12.025 10.226 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A2613 13.422 11.915 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A2613 12.947 10.601 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A2613 14.594 10.647 -6.346 1.00 0.00 H new ATOM 813 N ASP A2614 13.239 11.337 -9.730 1.00 0.00 N ATOM 814 CA ASP A2614 13.786 11.922 -10.965 1.00 0.00 C ATOM 815 C ASP A2614 13.731 10.974 -12.146 1.00 0.00 C ATOM 816 O ASP A2614 13.979 11.395 -13.282 1.00 0.00 O ATOM 817 CB ASP A2614 15.210 12.471 -10.808 1.00 0.00 C ATOM 818 CG ASP A2614 15.357 13.603 -9.815 1.00 0.00 C ATOM 819 OD1 ASP A2614 14.908 14.729 -10.098 1.00 0.00 O ATOM 820 OD2 ASP A2614 15.986 13.402 -8.748 1.00 0.00 O ATOM 0 H ASP A2614 12.322 11.715 -9.494 1.00 0.00 H new ATOM 0 HA ASP A2614 13.127 12.765 -11.170 1.00 0.00 H new ATOM 0 HB2 ASP A2614 15.866 11.655 -10.504 1.00 0.00 H new ATOM 0 HB3 ASP A2614 15.559 12.815 -11.782 1.00 0.00 H new ATOM 825 N VAL A2615 13.397 9.706 -11.864 1.00 0.00 N ATOM 826 CA VAL A2615 13.312 8.607 -12.819 1.00 0.00 C ATOM 827 C VAL A2615 14.484 8.562 -13.795 1.00 0.00 C ATOM 828 O VAL A2615 14.430 9.073 -14.928 1.00 0.00 O ATOM 829 CB VAL A2615 11.912 8.420 -13.496 1.00 0.00 C ATOM 830 CG1 VAL A2615 10.861 8.090 -12.455 1.00 0.00 C ATOM 831 CG2 VAL A2615 11.476 9.634 -14.287 1.00 0.00 C ATOM 0 H VAL A2615 13.169 9.412 -10.914 1.00 0.00 H new ATOM 0 HA VAL A2615 13.412 7.713 -12.203 1.00 0.00 H new ATOM 0 HB VAL A2615 12.015 7.592 -14.197 1.00 0.00 H new ATOM 0 HG11 VAL A2615 9.894 7.963 -12.942 1.00 0.00 H new ATOM 0 HG12 VAL A2615 11.133 7.167 -11.943 1.00 0.00 H new ATOM 0 HG13 VAL A2615 10.799 8.902 -11.731 1.00 0.00 H new ATOM 0 HG21 VAL A2615 10.499 9.446 -14.733 1.00 0.00 H new ATOM 0 HG22 VAL A2615 11.412 10.497 -13.624 1.00 0.00 H new ATOM 0 HG23 VAL A2615 12.202 9.835 -15.075 1.00 0.00 H new ATOM 841 N LEU A2616 15.567 7.991 -13.307 1.00 0.00 N ATOM 842 CA LEU A2616 16.809 7.917 -14.036 1.00 0.00 C ATOM 843 C LEU A2616 16.632 7.077 -15.285 1.00 0.00 C ATOM 844 O LEU A2616 16.306 5.885 -15.203 1.00 0.00 O ATOM 845 CB LEU A2616 17.961 7.334 -13.169 1.00 0.00 C ATOM 846 CG LEU A2616 18.401 8.108 -11.895 1.00 0.00 C ATOM 847 CD1 LEU A2616 18.710 9.565 -12.195 1.00 0.00 C ATOM 848 CD2 LEU A2616 17.396 7.972 -10.753 1.00 0.00 C ATOM 0 H LEU A2616 15.606 7.562 -12.383 1.00 0.00 H new ATOM 0 HA LEU A2616 17.084 8.935 -14.313 1.00 0.00 H new ATOM 0 HB2 LEU A2616 17.668 6.330 -12.861 1.00 0.00 H new ATOM 0 HB3 LEU A2616 18.836 7.228 -13.810 1.00 0.00 H new ATOM 0 HG LEU A2616 19.326 7.641 -11.557 1.00 0.00 H new ATOM 0 HD11 LEU A2616 19.013 10.069 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A2616 19.518 9.623 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A2616 17.821 10.050 -12.598 1.00 0.00 H new ATOM 0 HD21 LEU A2616 17.751 8.531 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A2616 16.430 8.367 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A2616 17.288 6.921 -10.486 1.00 0.00 H new ATOM 860 N PHE A2617 16.809 7.686 -16.422 1.00 0.00 N ATOM 861 CA PHE A2617 16.668 6.991 -17.665 1.00 0.00 C ATOM 862 C PHE A2617 18.010 6.433 -18.082 1.00 0.00 C ATOM 863 O PHE A2617 18.926 7.175 -18.432 1.00 0.00 O ATOM 864 CB PHE A2617 16.090 7.911 -18.740 1.00 0.00 C ATOM 865 CG PHE A2617 15.847 7.236 -20.060 1.00 0.00 C ATOM 866 CD1 PHE A2617 14.807 6.342 -20.209 1.00 0.00 C ATOM 867 CD2 PHE A2617 16.647 7.512 -21.153 1.00 0.00 C ATOM 868 CE1 PHE A2617 14.572 5.729 -21.421 1.00 0.00 C ATOM 869 CE2 PHE A2617 16.419 6.900 -22.365 1.00 0.00 C ATOM 870 CZ PHE A2617 15.378 6.012 -22.499 1.00 0.00 C ATOM 0 H PHE A2617 17.054 8.672 -16.512 1.00 0.00 H new ATOM 0 HA PHE A2617 15.969 6.165 -17.538 1.00 0.00 H new ATOM 0 HB2 PHE A2617 15.150 8.328 -18.379 1.00 0.00 H new ATOM 0 HB3 PHE A2617 16.772 8.747 -18.892 1.00 0.00 H new ATOM 0 HD1 PHE A2617 14.169 6.120 -19.366 1.00 0.00 H new ATOM 0 HD2 PHE A2617 17.460 8.216 -21.055 1.00 0.00 H new ATOM 0 HE1 PHE A2617 13.757 5.028 -21.524 1.00 0.00 H new ATOM 0 HE2 PHE A2617 17.057 7.117 -23.209 1.00 0.00 H new ATOM 0 HZ PHE A2617 15.193 5.537 -23.451 1.00 0.00 H new ATOM 880 N SER A2618 18.144 5.153 -17.966 1.00 0.00 N ATOM 881 CA SER A2618 19.342 4.479 -18.326 1.00 0.00 C ATOM 882 C SER A2618 18.972 3.276 -19.189 1.00 0.00 C ATOM 883 O SER A2618 17.809 2.831 -19.167 1.00 0.00 O ATOM 884 CB SER A2618 20.062 4.052 -17.052 1.00 0.00 C ATOM 885 OG SER A2618 20.248 5.171 -16.175 1.00 0.00 O ATOM 0 H SER A2618 17.411 4.538 -17.612 1.00 0.00 H new ATOM 0 HA SER A2618 20.009 5.126 -18.896 1.00 0.00 H new ATOM 0 HB2 SER A2618 19.486 3.278 -16.545 1.00 0.00 H new ATOM 0 HB3 SER A2618 21.029 3.616 -17.304 1.00 0.00 H new ATOM 0 HG SER A2618 20.710 4.877 -15.363 1.00 0.00 H new ATOM 891 N SER A2619 19.904 2.787 -19.971 1.00 0.00 N ATOM 892 CA SER A2619 19.645 1.664 -20.846 1.00 0.00 C ATOM 893 C SER A2619 20.397 0.400 -20.387 1.00 0.00 C ATOM 894 O SER A2619 20.583 -0.547 -21.167 1.00 0.00 O ATOM 895 CB SER A2619 20.028 2.054 -22.273 1.00 0.00 C ATOM 896 OG SER A2619 19.346 3.263 -22.663 1.00 0.00 O ATOM 0 H SER A2619 20.856 3.151 -20.021 1.00 0.00 H new ATOM 0 HA SER A2619 18.583 1.420 -20.810 1.00 0.00 H new ATOM 0 HB2 SER A2619 21.106 2.199 -22.340 1.00 0.00 H new ATOM 0 HB3 SER A2619 19.772 1.247 -22.959 1.00 0.00 H new ATOM 0 HG SER A2619 19.602 3.502 -23.578 1.00 0.00 H new ATOM 902 N PHE A2620 20.786 0.376 -19.114 1.00 0.00 N ATOM 903 CA PHE A2620 21.471 -0.778 -18.554 1.00 0.00 C ATOM 904 C PHE A2620 20.455 -1.877 -18.343 1.00 0.00 C ATOM 905 O PHE A2620 19.560 -1.749 -17.514 1.00 0.00 O ATOM 906 CB PHE A2620 22.135 -0.449 -17.209 1.00 0.00 C ATOM 907 CG PHE A2620 23.126 0.671 -17.251 1.00 0.00 C ATOM 908 CD1 PHE A2620 24.380 0.486 -17.798 1.00 0.00 C ATOM 909 CD2 PHE A2620 22.798 1.910 -16.743 1.00 0.00 C ATOM 910 CE1 PHE A2620 25.292 1.522 -17.831 1.00 0.00 C ATOM 911 CE2 PHE A2620 23.702 2.949 -16.772 1.00 0.00 C ATOM 912 CZ PHE A2620 24.950 2.754 -17.318 1.00 0.00 C ATOM 0 H PHE A2620 20.638 1.141 -18.456 1.00 0.00 H new ATOM 0 HA PHE A2620 22.253 -1.087 -19.248 1.00 0.00 H new ATOM 0 HB2 PHE A2620 21.357 -0.199 -16.488 1.00 0.00 H new ATOM 0 HB3 PHE A2620 22.636 -1.344 -16.840 1.00 0.00 H new ATOM 0 HD1 PHE A2620 24.650 -0.478 -18.204 1.00 0.00 H new ATOM 0 HD2 PHE A2620 21.819 2.068 -16.316 1.00 0.00 H new ATOM 0 HE1 PHE A2620 26.272 1.367 -18.258 1.00 0.00 H new ATOM 0 HE2 PHE A2620 23.432 3.913 -16.368 1.00 0.00 H new ATOM 0 HZ PHE A2620 25.661 3.566 -17.344 1.00 0.00 H new ATOM 922 N GLN A2621 20.579 -2.944 -19.075 1.00 0.00 N ATOM 923 CA GLN A2621 19.614 -4.019 -18.987 1.00 0.00 C ATOM 924 C GLN A2621 19.975 -5.027 -17.905 1.00 0.00 C ATOM 925 O GLN A2621 19.424 -6.125 -17.857 1.00 0.00 O ATOM 926 CB GLN A2621 19.415 -4.691 -20.342 1.00 0.00 C ATOM 927 CG GLN A2621 18.900 -3.737 -21.414 1.00 0.00 C ATOM 928 CD GLN A2621 17.612 -3.027 -21.012 1.00 0.00 C ATOM 929 OE1 GLN A2621 16.786 -3.560 -20.268 1.00 0.00 O ATOM 930 NE2 GLN A2621 17.428 -1.824 -21.502 1.00 0.00 N ATOM 0 H GLN A2621 21.335 -3.101 -19.741 1.00 0.00 H new ATOM 0 HA GLN A2621 18.662 -3.576 -18.694 1.00 0.00 H new ATOM 0 HB2 GLN A2621 20.362 -5.120 -20.670 1.00 0.00 H new ATOM 0 HB3 GLN A2621 18.712 -5.517 -20.231 1.00 0.00 H new ATOM 0 HG2 GLN A2621 19.667 -2.993 -21.629 1.00 0.00 H new ATOM 0 HG3 GLN A2621 18.729 -4.293 -22.336 1.00 0.00 H new ATOM 0 HE21 GLN A2621 18.130 -1.410 -22.115 1.00 0.00 H new ATOM 0 HE22 GLN A2621 16.583 -1.303 -21.270 1.00 0.00 H new ATOM 939 N LYS A2622 20.871 -4.645 -17.028 1.00 0.00 N ATOM 940 CA LYS A2622 21.236 -5.464 -15.901 1.00 0.00 C ATOM 941 C LYS A2622 20.393 -5.032 -14.714 1.00 0.00 C ATOM 942 O LYS A2622 19.365 -5.681 -14.427 1.00 0.00 O ATOM 943 CB LYS A2622 22.747 -5.378 -15.553 1.00 0.00 C ATOM 944 CG LYS A2622 23.722 -6.031 -16.556 1.00 0.00 C ATOM 945 CD LYS A2622 23.908 -5.238 -17.850 1.00 0.00 C ATOM 946 CE LYS A2622 24.908 -5.940 -18.770 1.00 0.00 C ATOM 947 NZ LYS A2622 25.218 -5.151 -19.987 1.00 0.00 N ATOM 948 OXT LYS A2622 20.687 -3.982 -14.119 1.00 0.00 O ATOM 0 H LYS A2622 21.368 -3.756 -17.077 1.00 0.00 H new ATOM 0 HA LYS A2622 21.047 -6.507 -16.157 1.00 0.00 H new ATOM 0 HB2 LYS A2622 23.015 -4.326 -15.452 1.00 0.00 H new ATOM 0 HB3 LYS A2622 22.900 -5.841 -14.578 1.00 0.00 H new ATOM 0 HG2 LYS A2622 24.692 -6.155 -16.075 1.00 0.00 H new ATOM 0 HG3 LYS A2622 23.359 -7.029 -16.803 1.00 0.00 H new ATOM 0 HD2 LYS A2622 22.950 -5.131 -18.359 1.00 0.00 H new ATOM 0 HD3 LYS A2622 24.261 -4.233 -17.620 1.00 0.00 H new ATOM 0 HE2 LYS A2622 25.830 -6.130 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A2622 24.507 -6.910 -19.063 1.00 0.00 H new ATOM 0 HZ1 LYS A2622 25.900 -5.672 -20.574 1.00 0.00 H new ATOM 0 HZ2 LYS A2622 24.345 -4.991 -20.529 1.00 0.00 H new ATOM 0 HZ3 LYS A2622 25.627 -4.235 -19.712 1.00 0.00 H new TER 962 LYS A2622