USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 321 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= 1.79 K(o=2.8,f=0.17!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= 0 X(o=2.8,f=2.3) USER MOD Set 1.3: A2600 THR OG1 : rot 73:sc= 0.98 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 165:sc= 0.425 (180deg=-0.0649) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A2596 LYS NZ :NH3+ 168:sc=-0.000439 (180deg=-0.146) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -140:sc=-0.00824 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.689 -2.437 3.003 1.00 0.00 N ATOM 33 CA PRO A2565 4.389 -3.035 2.722 1.00 0.00 C ATOM 34 C PRO A2565 3.352 -2.588 3.766 1.00 0.00 C ATOM 35 O PRO A2565 2.141 -2.605 3.519 1.00 0.00 O ATOM 36 CB PRO A2565 4.659 -4.549 2.803 1.00 0.00 C ATOM 37 CG PRO A2565 6.148 -4.691 2.789 1.00 0.00 C ATOM 38 CD PRO A2565 6.682 -3.449 3.412 1.00 0.00 C ATOM 0 HA PRO A2565 3.979 -2.740 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.233 -4.976 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.207 -5.074 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.461 -5.574 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.520 -4.808 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A2565 6.751 -3.536 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.681 -3.209 3.047 1.00 0.00 H new ATOM 46 N ASP A2566 3.858 -2.132 4.902 1.00 0.00 N ATOM 47 CA ASP A2566 3.035 -1.660 6.011 1.00 0.00 C ATOM 48 C ASP A2566 2.765 -0.151 5.900 1.00 0.00 C ATOM 49 O ASP A2566 1.953 0.401 6.651 1.00 0.00 O ATOM 50 CB ASP A2566 3.714 -1.995 7.352 1.00 0.00 C ATOM 51 CG ASP A2566 2.927 -1.544 8.574 1.00 0.00 C ATOM 52 OD1 ASP A2566 1.941 -2.198 8.952 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.287 -0.519 9.177 1.00 0.00 O ATOM 0 H ASP A2566 4.860 -2.078 5.084 1.00 0.00 H new ATOM 0 HA ASP A2566 2.073 -2.171 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A2566 3.869 -3.072 7.410 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.699 -1.529 7.375 1.00 0.00 H new ATOM 58 N THR A2567 3.439 0.518 4.957 1.00 0.00 N ATOM 59 CA THR A2567 3.233 1.947 4.732 1.00 0.00 C ATOM 60 C THR A2567 1.763 2.207 4.409 1.00 0.00 C ATOM 61 O THR A2567 1.156 1.485 3.619 1.00 0.00 O ATOM 62 CB THR A2567 4.146 2.471 3.595 1.00 0.00 C ATOM 63 OG1 THR A2567 5.510 2.223 3.946 1.00 0.00 O ATOM 64 CG2 THR A2567 3.958 3.968 3.372 1.00 0.00 C ATOM 0 H THR A2567 4.130 0.090 4.340 1.00 0.00 H new ATOM 0 HA THR A2567 3.500 2.486 5.641 1.00 0.00 H new ATOM 0 HB THR A2567 3.879 1.952 2.674 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.096 2.550 3.232 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.614 4.301 2.568 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.921 4.168 3.101 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.204 4.506 4.287 1.00 0.00 H new ATOM 72 N ARG A2568 1.200 3.188 5.057 1.00 0.00 N ATOM 73 CA ARG A2568 -0.204 3.463 4.946 1.00 0.00 C ATOM 74 C ARG A2568 -0.457 4.466 3.852 1.00 0.00 C ATOM 75 O ARG A2568 0.247 5.478 3.737 1.00 0.00 O ATOM 76 CB ARG A2568 -0.739 3.940 6.294 1.00 0.00 C ATOM 77 CG ARG A2568 -0.446 2.956 7.423 1.00 0.00 C ATOM 78 CD ARG A2568 -1.084 1.597 7.174 1.00 0.00 C ATOM 79 NE ARG A2568 -0.497 0.556 8.027 1.00 0.00 N ATOM 80 CZ ARG A2568 -1.142 -0.187 8.929 1.00 0.00 C ATOM 81 NH1 ARG A2568 -2.397 0.107 9.280 1.00 0.00 N ATOM 82 NH2 ARG A2568 -0.514 -1.211 9.503 1.00 0.00 N ATOM 0 H ARG A2568 1.704 3.821 5.679 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.737 2.551 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.296 4.906 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.816 4.092 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.632 2.836 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.816 3.363 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.156 1.659 7.361 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.958 1.323 6.127 1.00 0.00 H new ATOM 0 HE ARG A2568 0.503 0.384 7.920 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -2.871 0.905 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -2.881 -0.467 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A2568 0.452 -1.422 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -0.999 -1.784 10.193 1.00 0.00 H new ATOM 96 N ILE A2569 -1.427 4.165 3.036 1.00 0.00 N ATOM 97 CA ILE A2569 -1.764 4.989 1.900 1.00 0.00 C ATOM 98 C ILE A2569 -3.134 5.644 2.140 1.00 0.00 C ATOM 99 O ILE A2569 -4.162 4.970 2.095 1.00 0.00 O ATOM 100 CB ILE A2569 -1.834 4.128 0.610 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.566 3.252 0.447 1.00 0.00 C ATOM 102 CG2 ILE A2569 -2.030 5.016 -0.621 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.724 4.013 0.189 1.00 0.00 C ATOM 0 H ILE A2569 -2.013 3.336 3.137 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.996 5.753 1.777 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.693 3.463 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.440 2.653 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.729 2.557 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.077 4.394 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.959 5.577 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.194 5.710 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.549 3.308 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.628 4.590 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.921 4.688 1.022 1.00 0.00 H new ATOM 115 N PRO A2570 -3.159 6.941 2.465 1.00 0.00 N ATOM 116 CA PRO A2570 -4.402 7.669 2.714 1.00 0.00 C ATOM 117 C PRO A2570 -5.257 7.841 1.451 1.00 0.00 C ATOM 118 O PRO A2570 -4.921 8.615 0.542 1.00 0.00 O ATOM 119 CB PRO A2570 -3.938 9.023 3.245 1.00 0.00 C ATOM 120 CG PRO A2570 -2.545 9.169 2.776 1.00 0.00 C ATOM 121 CD PRO A2570 -1.976 7.791 2.641 1.00 0.00 C ATOM 0 HA PRO A2570 -5.045 7.129 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.567 9.830 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.992 9.058 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.514 9.693 1.821 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.961 9.759 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.301 7.719 1.788 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.406 7.505 3.525 1.00 0.00 H new ATOM 129 N VAL A2571 -6.355 7.128 1.403 1.00 0.00 N ATOM 130 CA VAL A2571 -7.234 7.131 0.251 1.00 0.00 C ATOM 131 C VAL A2571 -8.681 7.381 0.660 1.00 0.00 C ATOM 132 O VAL A2571 -9.054 7.174 1.815 1.00 0.00 O ATOM 133 CB VAL A2571 -7.141 5.806 -0.558 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.780 5.659 -1.218 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.405 4.607 0.332 1.00 0.00 C ATOM 0 H VAL A2571 -6.669 6.525 2.163 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.900 7.946 -0.391 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.905 5.847 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.745 4.723 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.614 6.494 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -5.003 5.654 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.334 3.693 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.667 4.580 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.404 4.685 0.761 1.00 0.00 H new ATOM 145 N ILE A2572 -9.471 7.830 -0.279 1.00 0.00 N ATOM 146 CA ILE A2572 -10.871 8.115 -0.068 1.00 0.00 C ATOM 147 C ILE A2572 -11.695 7.565 -1.240 1.00 0.00 C ATOM 148 O ILE A2572 -11.250 7.608 -2.384 1.00 0.00 O ATOM 149 CB ILE A2572 -11.110 9.668 0.103 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.614 10.002 0.249 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.476 10.470 -1.040 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.910 11.469 0.495 1.00 0.00 C ATOM 0 H ILE A2572 -9.156 8.012 -1.232 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.193 7.626 0.851 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.614 9.965 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.133 9.686 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -13.025 9.418 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.662 11.533 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.401 10.289 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.913 10.159 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.987 11.613 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.423 11.789 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.533 12.061 -0.339 1.00 0.00 H new ATOM 164 N ASN A2573 -12.851 7.003 -0.956 1.00 0.00 N ATOM 165 CA ASN A2573 -13.737 6.555 -2.015 1.00 0.00 C ATOM 166 C ASN A2573 -14.693 7.672 -2.271 1.00 0.00 C ATOM 167 O ASN A2573 -15.508 7.979 -1.400 1.00 0.00 O ATOM 168 CB ASN A2573 -14.558 5.311 -1.643 1.00 0.00 C ATOM 169 CG ASN A2573 -15.270 4.741 -2.880 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.812 4.914 -4.006 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.377 4.066 -2.700 1.00 0.00 N ATOM 0 H ASN A2573 -13.199 6.845 -0.010 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.128 6.288 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.904 4.553 -1.212 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.293 5.569 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.872 3.675 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.745 3.931 -1.758 1.00 0.00 H new ATOM 178 N LEU A2574 -14.627 8.265 -3.440 1.00 0.00 N ATOM 179 CA LEU A2574 -15.445 9.442 -3.739 1.00 0.00 C ATOM 180 C LEU A2574 -16.936 9.129 -3.788 1.00 0.00 C ATOM 181 O LEU A2574 -17.765 10.025 -3.631 1.00 0.00 O ATOM 182 CB LEU A2574 -15.004 10.135 -5.031 1.00 0.00 C ATOM 183 CG LEU A2574 -13.586 10.722 -5.058 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.350 11.461 -6.364 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.349 11.650 -3.869 1.00 0.00 C ATOM 0 H LEU A2574 -14.022 7.962 -4.203 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.283 10.130 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.089 9.417 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.708 10.940 -5.241 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.876 9.898 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.341 11.873 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.466 10.770 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.073 12.271 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.336 12.050 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.065 12.471 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.476 11.092 -2.941 1.00 0.00 H new ATOM 197 N GLU A2575 -17.280 7.874 -3.988 1.00 0.00 N ATOM 198 CA GLU A2575 -18.677 7.500 -4.038 1.00 0.00 C ATOM 199 C GLU A2575 -19.285 7.399 -2.637 1.00 0.00 C ATOM 200 O GLU A2575 -20.340 7.960 -2.374 1.00 0.00 O ATOM 201 CB GLU A2575 -18.889 6.203 -4.817 1.00 0.00 C ATOM 202 CG GLU A2575 -18.365 6.253 -6.245 1.00 0.00 C ATOM 203 CD GLU A2575 -18.835 7.479 -7.001 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.056 7.733 -7.062 1.00 0.00 O ATOM 205 OE2 GLU A2575 -17.981 8.238 -7.504 1.00 0.00 O ATOM 0 H GLU A2575 -16.622 7.105 -4.117 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.197 8.296 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.397 5.387 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.954 5.973 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.275 6.238 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.688 5.358 -6.777 1.00 0.00 H new ATOM 212 N ASP A2576 -18.611 6.701 -1.735 1.00 0.00 N ATOM 213 CA ASP A2576 -19.133 6.536 -0.366 1.00 0.00 C ATOM 214 C ASP A2576 -18.807 7.719 0.490 1.00 0.00 C ATOM 215 O ASP A2576 -19.608 8.147 1.308 1.00 0.00 O ATOM 216 CB ASP A2576 -18.575 5.291 0.336 1.00 0.00 C ATOM 217 CG ASP A2576 -19.039 4.002 -0.252 1.00 0.00 C ATOM 218 OD1 ASP A2576 -20.186 3.610 -0.027 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.247 3.342 -0.945 1.00 0.00 O ATOM 0 H ASP A2576 -17.717 6.243 -1.911 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.212 6.431 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.486 5.324 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.860 5.322 1.388 1.00 0.00 H new ATOM 224 N GLY A2577 -17.632 8.250 0.301 1.00 0.00 N ATOM 225 CA GLY A2577 -17.163 9.301 1.150 1.00 0.00 C ATOM 226 C GLY A2577 -16.303 8.734 2.258 1.00 0.00 C ATOM 227 O GLY A2577 -15.879 9.462 3.165 1.00 0.00 O ATOM 0 H GLY A2577 -16.983 7.970 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.589 10.021 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.010 9.839 1.576 1.00 0.00 H new ATOM 231 N THR A2578 -16.058 7.424 2.187 1.00 0.00 N ATOM 232 CA THR A2578 -15.237 6.752 3.158 1.00 0.00 C ATOM 233 C THR A2578 -13.798 7.161 2.909 1.00 0.00 C ATOM 234 O THR A2578 -13.385 7.333 1.752 1.00 0.00 O ATOM 235 CB THR A2578 -15.386 5.179 3.094 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.853 4.591 4.286 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.640 4.571 1.900 1.00 0.00 C ATOM 0 H THR A2578 -16.426 6.816 1.456 1.00 0.00 H new ATOM 0 HA THR A2578 -15.559 7.045 4.157 1.00 0.00 H new ATOM 0 HB THR A2578 -16.450 4.969 2.989 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.950 3.617 4.242 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.773 3.489 1.900 1.00 0.00 H new ATOM 0 HG22 THR A2578 -15.038 4.985 0.973 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.578 4.806 1.976 1.00 0.00 H new ATOM 245 N ARG A2579 -13.064 7.352 3.941 1.00 0.00 N ATOM 246 CA ARG A2579 -11.715 7.761 3.810 1.00 0.00 C ATOM 247 C ARG A2579 -10.887 7.123 4.858 1.00 0.00 C ATOM 248 O ARG A2579 -11.239 7.105 6.031 1.00 0.00 O ATOM 249 CB ARG A2579 -11.592 9.267 3.862 1.00 0.00 C ATOM 250 CG ARG A2579 -10.175 9.753 3.725 1.00 0.00 C ATOM 251 CD ARG A2579 -10.103 11.239 3.563 1.00 0.00 C ATOM 252 NE ARG A2579 -10.648 11.970 4.700 1.00 0.00 N ATOM 253 CZ ARG A2579 -10.641 13.299 4.789 1.00 0.00 C ATOM 254 NH1 ARG A2579 -10.012 14.023 3.861 1.00 0.00 N ATOM 255 NH2 ARG A2579 -11.233 13.900 5.819 1.00 0.00 N ATOM 0 H ARG A2579 -13.381 7.229 4.903 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.350 7.438 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.196 9.702 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.002 9.626 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.604 9.457 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.709 9.272 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -9.063 11.532 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.645 11.526 2.662 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.056 11.436 5.467 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.538 13.558 3.086 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -10.005 15.041 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.692 13.343 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -11.228 14.918 5.887 1.00 0.00 H new ATOM 269 N LEU A2580 -9.793 6.613 4.435 1.00 0.00 N ATOM 270 CA LEU A2580 -8.914 5.898 5.269 1.00 0.00 C ATOM 271 C LEU A2580 -7.582 6.574 5.226 1.00 0.00 C ATOM 272 O LEU A2580 -6.877 6.524 4.217 1.00 0.00 O ATOM 273 CB LEU A2580 -8.842 4.481 4.755 1.00 0.00 C ATOM 274 CG LEU A2580 -10.204 3.814 4.605 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.081 2.474 3.959 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.927 3.733 5.941 1.00 0.00 C ATOM 0 H LEU A2580 -9.477 6.686 3.468 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.252 5.875 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.338 4.480 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.230 3.888 5.434 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.811 4.436 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.069 2.023 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.638 2.586 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.446 1.833 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.895 3.253 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.330 3.150 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.074 4.738 6.337 1.00 0.00 H new ATOM 288 N VAL A2581 -7.276 7.256 6.282 1.00 0.00 N ATOM 289 CA VAL A2581 -6.057 8.012 6.404 1.00 0.00 C ATOM 290 C VAL A2581 -5.373 7.635 7.702 1.00 0.00 C ATOM 291 O VAL A2581 -5.979 6.969 8.545 1.00 0.00 O ATOM 292 CB VAL A2581 -6.328 9.554 6.378 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.801 10.009 5.004 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.361 9.938 7.419 1.00 0.00 C ATOM 0 H VAL A2581 -7.875 7.309 7.106 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.417 7.775 5.554 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.386 10.052 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.981 11.084 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.037 9.779 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.725 9.490 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.533 11.014 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.295 9.414 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.999 9.662 8.410 1.00 0.00 H new ATOM 304 N GLY A2582 -4.111 7.983 7.826 1.00 0.00 N ATOM 305 CA GLY A2582 -3.391 7.760 9.056 1.00 0.00 C ATOM 306 C GLY A2582 -3.114 6.306 9.302 1.00 0.00 C ATOM 307 O GLY A2582 -2.515 5.632 8.464 1.00 0.00 O ATOM 0 H GLY A2582 -3.563 8.423 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.448 8.306 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.967 8.163 9.889 1.00 0.00 H new ATOM 311 N GLU A2583 -3.564 5.810 10.424 1.00 0.00 N ATOM 312 CA GLU A2583 -3.355 4.416 10.784 1.00 0.00 C ATOM 313 C GLU A2583 -4.478 3.561 10.199 1.00 0.00 C ATOM 314 O GLU A2583 -4.343 2.344 10.032 1.00 0.00 O ATOM 315 CB GLU A2583 -3.265 4.261 12.319 1.00 0.00 C ATOM 316 CG GLU A2583 -4.547 4.577 13.076 1.00 0.00 C ATOM 317 CD GLU A2583 -4.338 4.653 14.566 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.944 3.648 15.191 1.00 0.00 O ATOM 319 OE2 GLU A2583 -4.587 5.730 15.153 1.00 0.00 O ATOM 0 H GLU A2583 -4.084 6.350 11.116 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.409 4.072 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -2.969 3.237 12.549 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -2.473 4.912 12.689 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -4.950 5.526 12.721 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -5.292 3.812 12.856 1.00 0.00 H new ATOM 326 N ASP A2584 -5.560 4.226 9.834 1.00 0.00 N ATOM 327 CA ASP A2584 -6.751 3.566 9.297 1.00 0.00 C ATOM 328 C ASP A2584 -6.611 3.348 7.817 1.00 0.00 C ATOM 329 O ASP A2584 -7.407 2.639 7.200 1.00 0.00 O ATOM 330 CB ASP A2584 -8.007 4.396 9.568 1.00 0.00 C ATOM 331 CG ASP A2584 -8.282 4.577 11.030 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.887 3.671 11.655 1.00 0.00 O ATOM 333 OD2 ASP A2584 -7.905 5.637 11.592 1.00 0.00 O ATOM 0 H ASP A2584 -5.644 5.240 9.899 1.00 0.00 H new ATOM 0 HA ASP A2584 -6.848 2.603 9.798 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.898 5.374 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.864 3.912 9.099 1.00 0.00 H new ATOM 338 N ALA A2585 -5.611 3.971 7.252 1.00 0.00 N ATOM 339 CA ALA A2585 -5.317 3.853 5.848 1.00 0.00 C ATOM 340 C ALA A2585 -4.831 2.439 5.532 1.00 0.00 C ATOM 341 O ALA A2585 -4.199 1.784 6.386 1.00 0.00 O ATOM 342 CB ALA A2585 -4.282 4.882 5.470 1.00 0.00 C ATOM 0 H ALA A2585 -4.970 4.582 7.759 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.219 4.034 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.056 4.797 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.667 5.880 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.374 4.714 6.049 1.00 0.00 H new ATOM 348 N PRO A2586 -5.154 1.926 4.337 1.00 0.00 N ATOM 349 CA PRO A2586 -4.739 0.599 3.918 1.00 0.00 C ATOM 350 C PRO A2586 -3.224 0.469 3.810 1.00 0.00 C ATOM 351 O PRO A2586 -2.505 1.451 3.548 1.00 0.00 O ATOM 352 CB PRO A2586 -5.392 0.414 2.539 1.00 0.00 C ATOM 353 CG PRO A2586 -5.678 1.793 2.067 1.00 0.00 C ATOM 354 CD PRO A2586 -5.967 2.593 3.302 1.00 0.00 C ATOM 0 HA PRO A2586 -5.041 -0.157 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.726 -0.109 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.305 -0.177 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.828 2.205 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.528 1.805 1.385 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.683 3.638 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.028 2.578 3.552 1.00 0.00 H new ATOM 362 N LYS A2587 -2.754 -0.728 4.057 1.00 0.00 N ATOM 363 CA LYS A2587 -1.360 -1.058 3.941 1.00 0.00 C ATOM 364 C LYS A2587 -0.990 -1.152 2.480 1.00 0.00 C ATOM 365 O LYS A2587 -1.771 -1.645 1.689 1.00 0.00 O ATOM 366 CB LYS A2587 -1.076 -2.391 4.643 1.00 0.00 C ATOM 367 CG LYS A2587 -1.188 -2.324 6.158 1.00 0.00 C ATOM 368 CD LYS A2587 -1.011 -3.687 6.829 1.00 0.00 C ATOM 369 CE LYS A2587 -2.325 -4.481 6.953 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.969 -4.822 5.662 1.00 0.00 N ATOM 0 H LYS A2587 -3.340 -1.511 4.348 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.762 -0.280 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.771 -3.143 4.270 1.00 0.00 H new ATOM 0 HB3 LYS A2587 -0.073 -2.725 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.436 -1.635 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.162 -1.916 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.292 -4.275 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.587 -3.543 7.823 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -2.126 -5.403 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -3.028 -3.902 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.689 -5.556 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -3.420 -3.973 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.251 -5.176 4.998 1.00 0.00 H new ATOM 384 N ASN A2588 0.194 -0.692 2.152 1.00 0.00 N ATOM 385 CA ASN A2588 0.739 -0.666 0.785 1.00 0.00 C ATOM 386 C ASN A2588 0.691 -2.054 0.120 1.00 0.00 C ATOM 387 O ASN A2588 0.462 -2.176 -1.084 1.00 0.00 O ATOM 388 CB ASN A2588 2.175 -0.131 0.854 1.00 0.00 C ATOM 389 CG ASN A2588 2.923 -0.102 -0.467 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.358 0.071 -1.535 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.212 -0.255 -0.381 1.00 0.00 N ATOM 0 H ASN A2588 0.839 -0.309 2.843 1.00 0.00 H new ATOM 0 HA ASN A2588 0.126 -0.012 0.164 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.149 0.880 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.739 -0.742 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.786 -0.232 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.649 -0.397 0.530 1.00 0.00 H new ATOM 398 N LYS A2589 0.867 -3.096 0.910 1.00 0.00 N ATOM 399 CA LYS A2589 0.783 -4.457 0.394 1.00 0.00 C ATOM 400 C LYS A2589 -0.635 -4.817 -0.042 1.00 0.00 C ATOM 401 O LYS A2589 -0.842 -5.446 -1.075 1.00 0.00 O ATOM 402 CB LYS A2589 1.322 -5.472 1.403 1.00 0.00 C ATOM 403 CG LYS A2589 0.738 -5.360 2.814 1.00 0.00 C ATOM 404 CD LYS A2589 1.315 -6.424 3.736 1.00 0.00 C ATOM 405 CE LYS A2589 0.811 -7.814 3.378 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.602 -8.021 3.767 1.00 0.00 N ATOM 0 H LYS A2589 1.068 -3.031 1.908 1.00 0.00 H new ATOM 0 HA LYS A2589 1.415 -4.498 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.127 -6.475 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.404 -5.360 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.949 -4.371 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.346 -5.462 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.403 -6.405 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.048 -6.195 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.916 -7.970 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.433 -8.561 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -0.898 -8.982 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.700 -7.900 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.202 -7.327 3.277 1.00 0.00 H new ATOM 420 N ASP A2590 -1.600 -4.370 0.722 1.00 0.00 N ATOM 421 CA ASP A2590 -3.009 -4.672 0.465 1.00 0.00 C ATOM 422 C ASP A2590 -3.685 -3.521 -0.260 1.00 0.00 C ATOM 423 O ASP A2590 -4.912 -3.506 -0.426 1.00 0.00 O ATOM 424 CB ASP A2590 -3.751 -4.965 1.779 1.00 0.00 C ATOM 425 CG ASP A2590 -3.216 -6.174 2.507 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.653 -7.295 2.216 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.331 -6.008 3.395 1.00 0.00 O ATOM 0 H ASP A2590 -1.444 -3.785 1.543 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.049 -5.558 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.679 -4.095 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.809 -5.116 1.565 1.00 0.00 H new ATOM 432 N LEU A2591 -2.878 -2.565 -0.707 1.00 0.00 N ATOM 433 CA LEU A2591 -3.361 -1.393 -1.413 1.00 0.00 C ATOM 434 C LEU A2591 -4.021 -1.811 -2.701 1.00 0.00 C ATOM 435 O LEU A2591 -5.139 -1.406 -2.992 1.00 0.00 O ATOM 436 CB LEU A2591 -2.206 -0.431 -1.716 1.00 0.00 C ATOM 437 CG LEU A2591 -2.568 0.851 -2.465 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.455 1.750 -1.622 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.317 1.572 -2.941 1.00 0.00 C ATOM 0 H LEU A2591 -1.865 -2.585 -0.587 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.086 -0.881 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.736 -0.154 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.458 -0.968 -2.300 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.143 0.576 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.695 2.653 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.376 1.222 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.932 2.020 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.601 2.481 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.697 1.831 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.755 0.922 -3.611 1.00 0.00 H new ATOM 451 N VAL A2592 -3.342 -2.676 -3.438 1.00 0.00 N ATOM 452 CA VAL A2592 -3.833 -3.166 -4.714 1.00 0.00 C ATOM 453 C VAL A2592 -5.207 -3.820 -4.573 1.00 0.00 C ATOM 454 O VAL A2592 -6.073 -3.625 -5.414 1.00 0.00 O ATOM 455 CB VAL A2592 -2.836 -4.144 -5.393 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.544 -3.427 -5.754 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.542 -5.344 -4.502 1.00 0.00 C ATOM 0 H VAL A2592 -2.435 -3.057 -3.168 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.931 -2.294 -5.360 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.303 -4.509 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.859 -4.129 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.761 -2.610 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.085 -3.027 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.841 -6.009 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -2.106 -5.002 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.468 -5.881 -4.298 1.00 0.00 H new ATOM 467 N GLU A2593 -5.398 -4.521 -3.468 1.00 0.00 N ATOM 468 CA GLU A2593 -6.627 -5.211 -3.150 1.00 0.00 C ATOM 469 C GLU A2593 -7.771 -4.228 -2.964 1.00 0.00 C ATOM 470 O GLU A2593 -8.855 -4.416 -3.506 1.00 0.00 O ATOM 471 CB GLU A2593 -6.433 -6.029 -1.883 1.00 0.00 C ATOM 472 CG GLU A2593 -5.453 -7.176 -2.025 1.00 0.00 C ATOM 473 CD GLU A2593 -5.913 -8.185 -3.045 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.812 -8.999 -2.728 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.392 -8.191 -4.164 1.00 0.00 O ATOM 0 H GLU A2593 -4.680 -4.626 -2.751 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.881 -5.872 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.088 -5.369 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.398 -6.428 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.477 -6.786 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.326 -7.667 -1.060 1.00 0.00 H new ATOM 482 N TRP A2594 -7.500 -3.156 -2.242 1.00 0.00 N ATOM 483 CA TRP A2594 -8.503 -2.141 -1.966 1.00 0.00 C ATOM 484 C TRP A2594 -8.865 -1.429 -3.273 1.00 0.00 C ATOM 485 O TRP A2594 -10.015 -1.094 -3.519 1.00 0.00 O ATOM 486 CB TRP A2594 -7.965 -1.139 -0.933 1.00 0.00 C ATOM 487 CG TRP A2594 -9.037 -0.395 -0.196 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.726 -0.849 0.893 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.543 0.923 -0.466 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.631 0.089 1.308 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.543 1.186 0.498 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.263 1.908 -1.423 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.255 2.383 0.533 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.972 3.089 -1.375 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.955 3.318 -0.408 1.00 0.00 C ATOM 0 H TRP A2594 -6.586 -2.964 -1.833 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.398 -2.607 -1.553 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.345 -1.672 -0.212 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.320 -0.421 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.577 -1.812 1.360 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.270 -0.014 2.097 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.510 1.746 -2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -12.016 2.562 1.279 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.762 3.858 -2.104 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.488 4.258 -0.408 1.00 0.00 H new ATOM 506 N LEU A2595 -7.869 -1.265 -4.121 1.00 0.00 N ATOM 507 CA LEU A2595 -8.025 -0.638 -5.441 1.00 0.00 C ATOM 508 C LEU A2595 -8.864 -1.499 -6.373 1.00 0.00 C ATOM 509 O LEU A2595 -9.589 -0.988 -7.224 1.00 0.00 O ATOM 510 CB LEU A2595 -6.656 -0.354 -6.053 1.00 0.00 C ATOM 511 CG LEU A2595 -5.968 0.971 -5.673 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.141 1.322 -4.200 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.493 0.885 -6.014 1.00 0.00 C ATOM 0 H LEU A2595 -6.914 -1.563 -3.921 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.553 0.306 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.989 -1.171 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.761 -0.380 -7.138 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.446 1.766 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.636 2.265 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.202 1.420 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.708 0.533 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.003 1.821 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.038 0.065 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.376 0.707 -7.083 1.00 0.00 H new ATOM 525 N LYS A2596 -8.745 -2.809 -6.220 1.00 0.00 N ATOM 526 CA LYS A2596 -9.560 -3.763 -6.984 1.00 0.00 C ATOM 527 C LYS A2596 -11.016 -3.636 -6.581 1.00 0.00 C ATOM 528 O LYS A2596 -11.921 -3.950 -7.356 1.00 0.00 O ATOM 529 CB LYS A2596 -9.132 -5.202 -6.704 1.00 0.00 C ATOM 530 CG LYS A2596 -7.714 -5.547 -7.098 1.00 0.00 C ATOM 531 CD LYS A2596 -7.351 -6.966 -6.675 1.00 0.00 C ATOM 532 CE LYS A2596 -8.184 -8.015 -7.398 1.00 0.00 C ATOM 533 NZ LYS A2596 -7.935 -8.014 -8.854 1.00 0.00 N ATOM 0 H LYS A2596 -8.090 -3.245 -5.571 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.423 -3.535 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.252 -5.398 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.810 -5.873 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.600 -5.447 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.024 -4.840 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.294 -7.143 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.494 -7.070 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -7.957 -9.001 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -9.242 -7.830 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -8.359 -8.863 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -8.361 -7.165 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.910 -8.013 -9.031 1.00 0.00 H new ATOM 547 N LEU A2597 -11.230 -3.213 -5.359 1.00 0.00 N ATOM 548 CA LEU A2597 -12.558 -3.079 -4.828 1.00 0.00 C ATOM 549 C LEU A2597 -13.120 -1.697 -5.104 1.00 0.00 C ATOM 550 O LEU A2597 -14.326 -1.540 -5.273 1.00 0.00 O ATOM 551 CB LEU A2597 -12.562 -3.331 -3.325 1.00 0.00 C ATOM 552 CG LEU A2597 -12.010 -4.674 -2.848 1.00 0.00 C ATOM 553 CD1 LEU A2597 -12.079 -4.748 -1.343 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.759 -5.840 -3.478 1.00 0.00 C ATOM 0 H LEU A2597 -10.488 -2.953 -4.709 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.185 -3.821 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.987 -2.538 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.588 -3.240 -2.968 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.969 -4.748 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.684 -5.707 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.487 -3.941 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.116 -4.649 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.340 -6.779 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.813 -5.784 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.661 -5.792 -4.562 1.00 0.00 H new ATOM 566 N HIS A2598 -12.261 -0.702 -5.161 1.00 0.00 N ATOM 567 CA HIS A2598 -12.701 0.670 -5.338 1.00 0.00 C ATOM 568 C HIS A2598 -12.015 1.341 -6.512 1.00 0.00 C ATOM 569 O HIS A2598 -11.012 2.021 -6.345 1.00 0.00 O ATOM 570 CB HIS A2598 -12.473 1.513 -4.075 1.00 0.00 C ATOM 571 CG HIS A2598 -13.214 1.026 -2.869 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.496 1.409 -2.551 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.826 0.179 -1.890 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.837 0.811 -1.416 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.856 0.041 -0.968 1.00 0.00 N ATOM 0 H HIS A2598 -11.250 -0.816 -5.087 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.771 0.615 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.407 1.529 -3.850 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.771 2.541 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.866 -0.313 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.789 0.936 -0.922 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.857 -0.532 -0.124 1.00 0.00 H new ATOM 583 N PRO A2599 -12.531 1.153 -7.726 1.00 0.00 N ATOM 584 CA PRO A2599 -11.980 1.807 -8.916 1.00 0.00 C ATOM 585 C PRO A2599 -12.343 3.300 -8.950 1.00 0.00 C ATOM 586 O PRO A2599 -11.798 4.074 -9.730 1.00 0.00 O ATOM 587 CB PRO A2599 -12.654 1.063 -10.071 1.00 0.00 C ATOM 588 CG PRO A2599 -13.932 0.549 -9.499 1.00 0.00 C ATOM 589 CD PRO A2599 -13.655 0.254 -8.054 1.00 0.00 C ATOM 0 HA PRO A2599 -10.891 1.767 -8.952 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.837 1.727 -10.916 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.028 0.249 -10.436 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.728 1.287 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.260 -0.348 -10.024 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.525 0.456 -7.430 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.389 -0.792 -7.902 1.00 0.00 H new ATOM 597 N THR A2600 -13.258 3.677 -8.081 1.00 0.00 N ATOM 598 CA THR A2600 -13.747 5.026 -7.964 1.00 0.00 C ATOM 599 C THR A2600 -13.066 5.743 -6.799 1.00 0.00 C ATOM 600 O THR A2600 -13.556 6.780 -6.309 1.00 0.00 O ATOM 601 CB THR A2600 -15.252 4.978 -7.694 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.501 4.044 -6.613 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.013 4.542 -8.935 1.00 0.00 C ATOM 0 H THR A2600 -13.691 3.032 -7.420 1.00 0.00 H new ATOM 0 HA THR A2600 -13.533 5.564 -8.888 1.00 0.00 H new ATOM 0 HB THR A2600 -15.597 5.975 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.211 4.440 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.081 4.516 -8.717 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.825 5.248 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.680 3.549 -9.236 1.00 0.00 H new ATOM 611 N TYR A2601 -11.939 5.229 -6.369 1.00 0.00 N ATOM 612 CA TYR A2601 -11.281 5.798 -5.232 1.00 0.00 C ATOM 613 C TYR A2601 -10.367 6.935 -5.701 1.00 0.00 C ATOM 614 O TYR A2601 -10.173 7.142 -6.904 1.00 0.00 O ATOM 615 CB TYR A2601 -10.447 4.729 -4.483 1.00 0.00 C ATOM 616 CG TYR A2601 -9.041 4.553 -5.019 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.803 4.118 -6.314 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.961 4.876 -4.231 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.533 4.032 -6.801 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.686 4.778 -4.699 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.470 4.361 -5.992 1.00 0.00 C ATOM 622 OH TYR A2601 -5.192 4.307 -6.494 1.00 0.00 O ATOM 0 H TYR A2601 -11.468 4.427 -6.787 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.034 6.183 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.391 5.001 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.968 3.773 -4.539 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.635 3.844 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.128 5.215 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.362 3.707 -7.817 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.851 5.026 -4.060 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.555 4.570 -5.797 1.00 0.00 H new ATOM 632 N THR A2602 -9.844 7.661 -4.778 1.00 0.00 N ATOM 633 CA THR A2602 -8.893 8.691 -5.036 1.00 0.00 C ATOM 634 C THR A2602 -7.934 8.765 -3.852 1.00 0.00 C ATOM 635 O THR A2602 -8.333 8.494 -2.719 1.00 0.00 O ATOM 636 CB THR A2602 -9.619 10.042 -5.264 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.451 9.920 -6.427 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.640 11.195 -5.463 1.00 0.00 C ATOM 0 H THR A2602 -10.071 7.554 -3.790 1.00 0.00 H new ATOM 0 HA THR A2602 -8.327 8.471 -5.941 1.00 0.00 H new ATOM 0 HB THR A2602 -10.212 10.266 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.405 10.747 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.195 12.120 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.010 11.294 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.015 10.995 -6.333 1.00 0.00 H new ATOM 646 N VAL A2603 -6.678 9.034 -4.116 1.00 0.00 N ATOM 647 CA VAL A2603 -5.708 9.191 -3.060 1.00 0.00 C ATOM 648 C VAL A2603 -5.939 10.547 -2.411 1.00 0.00 C ATOM 649 O VAL A2603 -5.938 11.570 -3.097 1.00 0.00 O ATOM 650 CB VAL A2603 -4.250 9.098 -3.593 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.243 9.203 -2.452 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.041 7.799 -4.363 1.00 0.00 C ATOM 0 H VAL A2603 -6.303 9.149 -5.057 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.834 8.385 -2.337 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.088 9.936 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.231 9.135 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.368 10.159 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.409 8.390 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.015 7.753 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.230 6.951 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.728 7.762 -5.208 1.00 0.00 H new ATOM 662 N ASP A2604 -6.159 10.550 -1.115 1.00 0.00 N ATOM 663 CA ASP A2604 -6.467 11.783 -0.396 1.00 0.00 C ATOM 664 C ASP A2604 -5.210 12.621 -0.276 1.00 0.00 C ATOM 665 O ASP A2604 -5.185 13.801 -0.652 1.00 0.00 O ATOM 666 CB ASP A2604 -7.047 11.475 0.998 1.00 0.00 C ATOM 667 CG ASP A2604 -7.470 12.727 1.758 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.632 13.154 1.632 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.655 13.301 2.495 1.00 0.00 O ATOM 0 H ASP A2604 -6.132 9.715 -0.530 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.220 12.340 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.907 10.815 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.303 10.935 1.584 1.00 0.00 H new