USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=9 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= -1.36 K(o=-0.23,f=-3.5!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.0781 K(o=-0.23,f=-2.6) USER MOD Set 1.3: A2600 THR OG1 : rot -134:sc= 1.21 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+ 158:sc= -0.0646 (180deg=-0.444) USER MOD Single : A2588 ASN :FLIP amide:sc= -0.433 F(o=-1.9!,f=-0.43) USER MOD Single : A2589 LYS NZ :NH3+ 167:sc= 1.11 (180deg=1.02) USER MOD Single : A2596 LYS NZ :NH3+ -169:sc= -0.0064 (180deg=-0.139) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -130:sc=-0.00865 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.915 -2.011 2.154 1.00 0.00 N ATOM 33 CA PRO A2565 4.609 -2.674 2.175 1.00 0.00 C ATOM 34 C PRO A2565 3.752 -2.309 3.397 1.00 0.00 C ATOM 35 O PRO A2565 2.515 -2.397 3.337 1.00 0.00 O ATOM 36 CB PRO A2565 4.971 -4.156 2.233 1.00 0.00 C ATOM 37 CG PRO A2565 6.293 -4.241 1.579 1.00 0.00 C ATOM 38 CD PRO A2565 7.011 -2.984 1.942 1.00 0.00 C ATOM 0 HA PRO A2565 4.009 -2.379 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A2565 5.014 -4.514 3.262 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.232 -4.766 1.714 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.843 -5.118 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.189 -4.333 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.615 -3.111 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.685 -2.663 1.148 1.00 0.00 H new ATOM 46 N ASP A2566 4.379 -1.871 4.485 1.00 0.00 N ATOM 47 CA ASP A2566 3.604 -1.597 5.691 1.00 0.00 C ATOM 48 C ASP A2566 3.129 -0.147 5.753 1.00 0.00 C ATOM 49 O ASP A2566 2.181 0.166 6.468 1.00 0.00 O ATOM 50 CB ASP A2566 4.364 -1.994 6.963 1.00 0.00 C ATOM 51 CG ASP A2566 3.549 -1.794 8.230 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.605 -2.581 8.487 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.848 -0.865 9.014 1.00 0.00 O ATOM 0 H ASP A2566 5.382 -1.703 4.558 1.00 0.00 H new ATOM 0 HA ASP A2566 2.713 -2.223 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.661 -3.040 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.280 -1.407 7.030 1.00 0.00 H new ATOM 58 N THR A2567 3.746 0.724 4.979 1.00 0.00 N ATOM 59 CA THR A2567 3.368 2.126 4.974 1.00 0.00 C ATOM 60 C THR A2567 1.899 2.272 4.541 1.00 0.00 C ATOM 61 O THR A2567 1.478 1.675 3.545 1.00 0.00 O ATOM 62 CB THR A2567 4.291 2.928 4.035 1.00 0.00 C ATOM 63 OG1 THR A2567 5.656 2.716 4.439 1.00 0.00 O ATOM 64 CG2 THR A2567 3.983 4.420 4.104 1.00 0.00 C ATOM 0 H THR A2567 4.510 0.488 4.346 1.00 0.00 H new ATOM 0 HA THR A2567 3.477 2.524 5.983 1.00 0.00 H new ATOM 0 HB THR A2567 4.129 2.588 3.012 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.254 3.220 3.848 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.649 4.961 3.432 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.949 4.592 3.806 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.131 4.775 5.124 1.00 0.00 H new ATOM 72 N ARG A2568 1.126 2.998 5.325 1.00 0.00 N ATOM 73 CA ARG A2568 -0.277 3.179 5.049 1.00 0.00 C ATOM 74 C ARG A2568 -0.448 4.223 3.963 1.00 0.00 C ATOM 75 O ARG A2568 0.316 5.198 3.899 1.00 0.00 O ATOM 76 CB ARG A2568 -1.043 3.604 6.306 1.00 0.00 C ATOM 77 CG ARG A2568 -0.932 2.662 7.506 1.00 0.00 C ATOM 78 CD ARG A2568 -1.330 1.234 7.157 1.00 0.00 C ATOM 79 NE ARG A2568 -1.516 0.391 8.367 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.699 -0.585 8.813 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.484 -0.792 8.259 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.074 -1.331 9.844 1.00 0.00 N ATOM 0 H ARG A2568 1.455 3.474 6.165 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.686 2.226 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.689 4.589 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.097 3.710 6.048 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.092 2.671 7.879 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.568 3.028 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.255 1.247 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.564 0.790 6.521 1.00 0.00 H new ATOM 0 HE ARG A2568 -2.354 0.570 8.921 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.792 -0.209 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A2568 1.088 -1.535 8.610 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.974 -1.164 10.293 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -0.462 -2.071 10.187 1.00 0.00 H new ATOM 96 N ILE A2569 -1.415 4.020 3.114 1.00 0.00 N ATOM 97 CA ILE A2569 -1.662 4.906 2.001 1.00 0.00 C ATOM 98 C ILE A2569 -2.984 5.631 2.231 1.00 0.00 C ATOM 99 O ILE A2569 -4.051 5.023 2.128 1.00 0.00 O ATOM 100 CB ILE A2569 -1.759 4.105 0.677 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.561 3.135 0.547 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.828 5.065 -0.534 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.785 3.804 0.354 1.00 0.00 C ATOM 0 H ILE A2569 -2.060 3.232 3.171 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.839 5.617 1.928 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.675 3.515 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.517 2.514 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.743 2.468 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.896 4.485 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.706 5.704 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.931 5.683 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.561 3.043 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.767 4.402 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.996 4.449 1.207 1.00 0.00 H new ATOM 115 N PRO A2570 -2.936 6.915 2.595 1.00 0.00 N ATOM 116 CA PRO A2570 -4.138 7.703 2.852 1.00 0.00 C ATOM 117 C PRO A2570 -4.970 7.926 1.583 1.00 0.00 C ATOM 118 O PRO A2570 -4.577 8.673 0.678 1.00 0.00 O ATOM 119 CB PRO A2570 -3.606 9.029 3.407 1.00 0.00 C ATOM 120 CG PRO A2570 -2.190 9.104 2.956 1.00 0.00 C ATOM 121 CD PRO A2570 -1.707 7.693 2.800 1.00 0.00 C ATOM 0 HA PRO A2570 -4.813 7.197 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.184 9.873 3.030 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.674 9.056 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.113 9.645 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.581 9.642 3.683 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.027 7.595 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.165 7.357 3.684 1.00 0.00 H new ATOM 129 N VAL A2571 -6.099 7.264 1.511 1.00 0.00 N ATOM 130 CA VAL A2571 -6.971 7.328 0.356 1.00 0.00 C ATOM 131 C VAL A2571 -8.393 7.683 0.771 1.00 0.00 C ATOM 132 O VAL A2571 -8.730 7.666 1.955 1.00 0.00 O ATOM 133 CB VAL A2571 -6.988 5.995 -0.457 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.621 5.680 -1.049 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.461 4.837 0.401 1.00 0.00 C ATOM 0 H VAL A2571 -6.444 6.660 2.257 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.569 8.109 -0.289 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.691 6.132 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.673 4.745 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.320 6.486 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.890 5.583 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.463 3.922 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.791 4.717 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.470 5.039 0.760 1.00 0.00 H new ATOM 145 N ILE A2572 -9.205 7.999 -0.195 1.00 0.00 N ATOM 146 CA ILE A2572 -10.582 8.346 0.020 1.00 0.00 C ATOM 147 C ILE A2572 -11.444 7.732 -1.100 1.00 0.00 C ATOM 148 O ILE A2572 -11.022 7.664 -2.255 1.00 0.00 O ATOM 149 CB ILE A2572 -10.766 9.909 0.103 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.254 10.299 0.244 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.103 10.623 -1.078 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.513 11.787 0.390 1.00 0.00 C ATOM 0 H ILE A2572 -8.924 8.024 -1.175 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.910 7.938 0.976 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.256 10.245 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.794 9.935 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.668 9.786 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.253 11.699 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.035 10.404 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.549 10.275 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.585 11.962 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.006 12.159 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.134 12.310 -0.488 1.00 0.00 H new ATOM 164 N ASN A2573 -12.602 7.241 -0.757 1.00 0.00 N ATOM 165 CA ASN A2573 -13.497 6.655 -1.730 1.00 0.00 C ATOM 166 C ASN A2573 -14.559 7.671 -2.068 1.00 0.00 C ATOM 167 O ASN A2573 -15.317 8.070 -1.199 1.00 0.00 O ATOM 168 CB ASN A2573 -14.168 5.401 -1.182 1.00 0.00 C ATOM 169 CG ASN A2573 -14.936 4.623 -2.246 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.898 3.967 -1.961 1.00 0.00 O ATOM 171 ND2 ASN A2573 -14.513 4.676 -3.470 1.00 0.00 N ATOM 0 H ASN A2573 -12.956 7.233 0.200 1.00 0.00 H new ATOM 0 HA ASN A2573 -12.923 6.375 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.410 4.753 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.852 5.682 -0.381 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -15.000 4.157 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -13.694 5.237 -3.703 1.00 0.00 H new ATOM 178 N LEU A2574 -14.639 8.068 -3.317 1.00 0.00 N ATOM 179 CA LEU A2574 -15.551 9.130 -3.710 1.00 0.00 C ATOM 180 C LEU A2574 -17.017 8.688 -3.753 1.00 0.00 C ATOM 181 O LEU A2574 -17.906 9.479 -3.429 1.00 0.00 O ATOM 182 CB LEU A2574 -15.136 9.772 -5.039 1.00 0.00 C ATOM 183 CG LEU A2574 -13.761 10.469 -5.075 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.554 11.124 -6.419 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.643 11.504 -3.960 1.00 0.00 C ATOM 0 H LEU A2574 -14.087 7.676 -4.080 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.477 9.884 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.145 8.999 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.895 10.504 -5.314 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.989 9.716 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.581 11.615 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.595 10.367 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.337 11.863 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.664 11.981 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.420 12.259 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.760 11.013 -2.994 1.00 0.00 H new ATOM 197 N GLU A2575 -17.275 7.444 -4.130 1.00 0.00 N ATOM 198 CA GLU A2575 -18.663 6.974 -4.208 1.00 0.00 C ATOM 199 C GLU A2575 -19.262 6.791 -2.805 1.00 0.00 C ATOM 200 O GLU A2575 -20.405 7.163 -2.546 1.00 0.00 O ATOM 201 CB GLU A2575 -18.781 5.660 -5.002 1.00 0.00 C ATOM 202 CG GLU A2575 -18.037 4.489 -4.385 1.00 0.00 C ATOM 203 CD GLU A2575 -18.397 3.164 -4.976 1.00 0.00 C ATOM 204 OE1 GLU A2575 -17.913 2.842 -6.068 1.00 0.00 O ATOM 205 OE2 GLU A2575 -19.127 2.391 -4.338 1.00 0.00 O ATOM 0 H GLU A2575 -16.568 6.753 -4.382 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.227 7.741 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -19.835 5.398 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -18.404 5.824 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -16.965 4.649 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.240 4.466 -3.314 1.00 0.00 H new ATOM 212 N ASP A2576 -18.465 6.252 -1.917 1.00 0.00 N ATOM 213 CA ASP A2576 -18.890 5.931 -0.571 1.00 0.00 C ATOM 214 C ASP A2576 -18.772 7.127 0.351 1.00 0.00 C ATOM 215 O ASP A2576 -19.693 7.436 1.102 1.00 0.00 O ATOM 216 CB ASP A2576 -18.061 4.764 -0.052 1.00 0.00 C ATOM 217 CG ASP A2576 -18.342 4.422 1.392 1.00 0.00 C ATOM 218 OD1 ASP A2576 -19.276 3.652 1.669 1.00 0.00 O ATOM 219 OD2 ASP A2576 -17.610 4.892 2.273 1.00 0.00 O ATOM 0 H ASP A2576 -17.490 6.020 -2.107 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.943 5.650 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.256 3.887 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.003 5.003 -0.162 1.00 0.00 H new ATOM 224 N GLY A2577 -17.651 7.810 0.274 1.00 0.00 N ATOM 225 CA GLY A2577 -17.426 8.958 1.121 1.00 0.00 C ATOM 226 C GLY A2577 -16.425 8.669 2.220 1.00 0.00 C ATOM 227 O GLY A2577 -16.024 9.576 2.956 1.00 0.00 O ATOM 0 H GLY A2577 -16.885 7.591 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -17.068 9.790 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.371 9.271 1.565 1.00 0.00 H new ATOM 231 N THR A2578 -16.018 7.409 2.332 1.00 0.00 N ATOM 232 CA THR A2578 -15.082 7.002 3.357 1.00 0.00 C ATOM 233 C THR A2578 -13.695 7.570 3.062 1.00 0.00 C ATOM 234 O THR A2578 -13.308 7.735 1.893 1.00 0.00 O ATOM 235 CB THR A2578 -15.013 5.440 3.502 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.541 5.070 4.809 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.099 4.789 2.455 1.00 0.00 C ATOM 0 H THR A2578 -16.327 6.654 1.720 1.00 0.00 H new ATOM 0 HA THR A2578 -15.439 7.402 4.306 1.00 0.00 H new ATOM 0 HB THR A2578 -16.029 5.078 3.347 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.507 4.093 4.880 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.089 3.709 2.602 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.471 5.016 1.456 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.087 5.179 2.562 1.00 0.00 H new ATOM 245 N ARG A2579 -12.974 7.881 4.095 1.00 0.00 N ATOM 246 CA ARG A2579 -11.663 8.408 3.963 1.00 0.00 C ATOM 247 C ARG A2579 -10.799 7.719 4.962 1.00 0.00 C ATOM 248 O ARG A2579 -11.096 7.688 6.161 1.00 0.00 O ATOM 249 CB ARG A2579 -11.692 9.898 4.179 1.00 0.00 C ATOM 250 CG ARG A2579 -10.395 10.626 3.924 1.00 0.00 C ATOM 251 CD ARG A2579 -10.610 12.113 4.098 1.00 0.00 C ATOM 252 NE ARG A2579 -9.428 12.911 3.808 1.00 0.00 N ATOM 253 CZ ARG A2579 -8.934 13.859 4.607 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.425 14.040 5.841 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.933 14.598 4.181 1.00 0.00 N ATOM 0 H ARG A2579 -13.288 7.773 5.060 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.263 8.237 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.459 10.325 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.998 10.091 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.627 10.275 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.039 10.415 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.423 12.433 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.927 12.308 5.122 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.941 12.733 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.185 13.450 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.039 14.768 6.442 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.544 14.443 3.251 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.545 15.326 4.781 1.00 0.00 H new ATOM 269 N LEU A2580 -9.755 7.168 4.479 1.00 0.00 N ATOM 270 CA LEU A2580 -8.921 6.343 5.255 1.00 0.00 C ATOM 271 C LEU A2580 -7.540 6.909 5.263 1.00 0.00 C ATOM 272 O LEU A2580 -6.785 6.776 4.300 1.00 0.00 O ATOM 273 CB LEU A2580 -8.950 4.951 4.658 1.00 0.00 C ATOM 274 CG LEU A2580 -10.354 4.370 4.468 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.299 3.095 3.698 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.063 4.170 5.799 1.00 0.00 C ATOM 0 H LEU A2580 -9.450 7.281 3.512 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.265 6.291 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.446 4.973 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.378 4.282 5.301 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.934 5.093 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.308 2.700 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.860 3.281 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.689 2.370 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.056 3.756 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.487 3.482 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.154 5.128 6.310 1.00 0.00 H new ATOM 288 N VAL A2581 -7.253 7.604 6.311 1.00 0.00 N ATOM 289 CA VAL A2581 -5.985 8.229 6.521 1.00 0.00 C ATOM 290 C VAL A2581 -5.474 7.756 7.873 1.00 0.00 C ATOM 291 O VAL A2581 -6.284 7.361 8.727 1.00 0.00 O ATOM 292 CB VAL A2581 -6.114 9.790 6.484 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.575 10.264 5.101 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.084 10.289 7.550 1.00 0.00 C ATOM 0 H VAL A2581 -7.914 7.760 7.072 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.287 7.956 5.730 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.128 10.205 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.658 11.351 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.849 9.953 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.546 9.825 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.153 11.376 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.069 9.855 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.725 9.993 8.536 1.00 0.00 H new ATOM 304 N GLY A2582 -4.184 7.713 8.057 1.00 0.00 N ATOM 305 CA GLY A2582 -3.653 7.260 9.322 1.00 0.00 C ATOM 306 C GLY A2582 -3.611 5.760 9.351 1.00 0.00 C ATOM 307 O GLY A2582 -3.196 5.145 8.379 1.00 0.00 O ATOM 0 H GLY A2582 -3.486 7.980 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.651 7.663 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -4.271 7.631 10.140 1.00 0.00 H new ATOM 311 N GLU A2583 -4.094 5.150 10.419 1.00 0.00 N ATOM 312 CA GLU A2583 -4.078 3.700 10.480 1.00 0.00 C ATOM 313 C GLU A2583 -5.263 3.101 9.733 1.00 0.00 C ATOM 314 O GLU A2583 -5.265 1.912 9.397 1.00 0.00 O ATOM 315 CB GLU A2583 -3.984 3.159 11.903 1.00 0.00 C ATOM 316 CG GLU A2583 -5.130 3.507 12.825 1.00 0.00 C ATOM 317 CD GLU A2583 -5.049 2.712 14.091 1.00 0.00 C ATOM 318 OE1 GLU A2583 -4.316 3.098 15.004 1.00 0.00 O ATOM 319 OE2 GLU A2583 -5.687 1.640 14.176 1.00 0.00 O ATOM 0 H GLU A2583 -4.491 5.619 11.233 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.164 3.384 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -3.902 2.073 11.852 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.061 3.528 12.350 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -5.107 4.572 13.056 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -6.078 3.309 12.325 1.00 0.00 H new ATOM 326 N ASP A2584 -6.272 3.930 9.475 1.00 0.00 N ATOM 327 CA ASP A2584 -7.447 3.509 8.698 1.00 0.00 C ATOM 328 C ASP A2584 -7.060 3.277 7.272 1.00 0.00 C ATOM 329 O ASP A2584 -7.727 2.538 6.544 1.00 0.00 O ATOM 330 CB ASP A2584 -8.560 4.561 8.715 1.00 0.00 C ATOM 331 CG ASP A2584 -9.228 4.721 10.037 1.00 0.00 C ATOM 332 OD1 ASP A2584 -10.113 3.925 10.364 1.00 0.00 O ATOM 333 OD2 ASP A2584 -8.908 5.679 10.761 1.00 0.00 O ATOM 0 H ASP A2584 -6.304 4.899 9.791 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.817 2.594 9.161 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.142 5.521 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.310 4.292 7.971 1.00 0.00 H new ATOM 338 N ALA A2585 -5.990 3.928 6.878 1.00 0.00 N ATOM 339 CA ALA A2585 -5.471 3.851 5.549 1.00 0.00 C ATOM 340 C ALA A2585 -4.949 2.448 5.273 1.00 0.00 C ATOM 341 O ALA A2585 -4.306 1.833 6.145 1.00 0.00 O ATOM 342 CB ALA A2585 -4.374 4.877 5.384 1.00 0.00 C ATOM 0 H ALA A2585 -5.450 4.537 7.493 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.263 4.063 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -3.974 4.823 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.778 5.874 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.577 4.676 6.100 1.00 0.00 H new ATOM 348 N PRO A2586 -5.247 1.907 4.088 1.00 0.00 N ATOM 349 CA PRO A2586 -4.805 0.582 3.705 1.00 0.00 C ATOM 350 C PRO A2586 -3.288 0.500 3.610 1.00 0.00 C ATOM 351 O PRO A2586 -2.613 1.478 3.235 1.00 0.00 O ATOM 352 CB PRO A2586 -5.442 0.352 2.327 1.00 0.00 C ATOM 353 CG PRO A2586 -5.760 1.711 1.817 1.00 0.00 C ATOM 354 CD PRO A2586 -6.047 2.549 3.029 1.00 0.00 C ATOM 0 HA PRO A2586 -5.097 -0.169 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.758 -0.170 1.658 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.340 -0.260 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.925 2.120 1.248 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.620 1.686 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.753 3.588 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.109 2.551 3.274 1.00 0.00 H new ATOM 362 N LYS A2587 -2.754 -0.631 4.002 1.00 0.00 N ATOM 363 CA LYS A2587 -1.335 -0.890 3.912 1.00 0.00 C ATOM 364 C LYS A2587 -0.925 -0.905 2.449 1.00 0.00 C ATOM 365 O LYS A2587 -1.720 -1.280 1.595 1.00 0.00 O ATOM 366 CB LYS A2587 -1.060 -2.245 4.536 1.00 0.00 C ATOM 367 CG LYS A2587 -1.665 -2.367 5.906 1.00 0.00 C ATOM 368 CD LYS A2587 -1.555 -3.750 6.465 1.00 0.00 C ATOM 369 CE LYS A2587 -2.342 -3.840 7.751 1.00 0.00 C ATOM 370 NZ LYS A2587 -3.808 -3.683 7.545 1.00 0.00 N ATOM 0 H LYS A2587 -3.293 -1.403 4.395 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.769 -0.118 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.460 -3.028 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.017 -2.403 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -1.172 -1.667 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.716 -2.080 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -1.932 -4.476 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.509 -3.997 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -2.148 -4.803 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.992 -3.071 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -4.319 -4.109 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -4.043 -2.672 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -4.088 -4.159 6.663 1.00 0.00 H new ATOM 384 N ASN A2588 0.302 -0.514 2.175 1.00 0.00 N ATOM 385 CA ASN A2588 0.846 -0.471 0.812 1.00 0.00 C ATOM 386 C ASN A2588 0.712 -1.827 0.124 1.00 0.00 C ATOM 387 O ASN A2588 0.393 -1.904 -1.060 1.00 0.00 O ATOM 388 CB ASN A2588 2.309 -0.038 0.857 1.00 0.00 C ATOM 389 CG ASN A2588 2.970 0.040 -0.499 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.909 1.190 -1.103 1.00 0.00 O flip ATOM 391 ND2 ASN A2588 3.552 -0.938 -0.993 1.00 0.00 N flip ATOM 0 H ASN A2588 0.964 -0.212 2.890 1.00 0.00 H new ATOM 0 HA ASN A2588 0.274 0.254 0.232 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.373 0.938 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.865 -0.738 1.481 1.00 0.00 H new ATOM 0 HD21 ASN A2588 3.578 -1.824 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.004 -0.856 -1.904 1.00 0.00 H new ATOM 398 N LYS A2589 0.909 -2.879 0.891 1.00 0.00 N ATOM 399 CA LYS A2589 0.780 -4.243 0.396 1.00 0.00 C ATOM 400 C LYS A2589 -0.654 -4.569 -0.055 1.00 0.00 C ATOM 401 O LYS A2589 -0.864 -5.200 -1.084 1.00 0.00 O ATOM 402 CB LYS A2589 1.262 -5.254 1.452 1.00 0.00 C ATOM 403 CG LYS A2589 0.672 -5.057 2.858 1.00 0.00 C ATOM 404 CD LYS A2589 1.187 -6.110 3.834 1.00 0.00 C ATOM 405 CE LYS A2589 0.623 -7.486 3.520 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.803 -7.599 3.877 1.00 0.00 N ATOM 0 H LYS A2589 1.163 -2.818 1.877 1.00 0.00 H new ATOM 0 HA LYS A2589 1.418 -4.324 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.017 -6.259 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.348 -5.196 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.928 -4.063 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.416 -5.107 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.276 -6.144 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.915 -5.828 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.747 -7.694 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.192 -8.242 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.200 -8.461 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.899 -7.648 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.317 -6.768 3.520 1.00 0.00 H new ATOM 420 N ASP A2590 -1.621 -4.098 0.695 1.00 0.00 N ATOM 421 CA ASP A2590 -3.030 -4.389 0.418 1.00 0.00 C ATOM 422 C ASP A2590 -3.676 -3.287 -0.401 1.00 0.00 C ATOM 423 O ASP A2590 -4.875 -3.338 -0.683 1.00 0.00 O ATOM 424 CB ASP A2590 -3.814 -4.590 1.719 1.00 0.00 C ATOM 425 CG ASP A2590 -3.352 -5.783 2.512 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.803 -6.910 2.242 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.531 -5.626 3.437 1.00 0.00 O ATOM 0 H ASP A2590 -1.468 -3.506 1.511 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.058 -5.312 -0.161 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.720 -3.695 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.872 -4.706 1.484 1.00 0.00 H new ATOM 432 N LEU A2591 -2.875 -2.308 -0.799 1.00 0.00 N ATOM 433 CA LEU A2591 -3.342 -1.160 -1.563 1.00 0.00 C ATOM 434 C LEU A2591 -4.036 -1.598 -2.847 1.00 0.00 C ATOM 435 O LEU A2591 -5.182 -1.254 -3.077 1.00 0.00 O ATOM 436 CB LEU A2591 -2.174 -0.219 -1.882 1.00 0.00 C ATOM 437 CG LEU A2591 -2.515 1.049 -2.668 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.445 1.954 -1.873 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.247 1.779 -3.075 1.00 0.00 C ATOM 0 H LEU A2591 -1.875 -2.288 -0.599 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.069 -0.624 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.708 0.077 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.428 -0.780 -2.445 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.043 0.757 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.670 2.847 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.370 1.422 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.962 2.243 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.508 2.678 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.684 2.056 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.637 1.128 -3.701 1.00 0.00 H new ATOM 451 N VAL A2592 -3.353 -2.403 -3.645 1.00 0.00 N ATOM 452 CA VAL A2592 -3.906 -2.891 -4.910 1.00 0.00 C ATOM 453 C VAL A2592 -5.211 -3.661 -4.704 1.00 0.00 C ATOM 454 O VAL A2592 -6.124 -3.565 -5.503 1.00 0.00 O ATOM 455 CB VAL A2592 -2.900 -3.765 -5.693 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.755 -2.919 -6.219 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.363 -4.886 -4.813 1.00 0.00 C ATOM 0 H VAL A2592 -2.411 -2.737 -3.443 1.00 0.00 H new ATOM 0 HA VAL A2592 -4.118 -2.002 -5.504 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.424 -4.209 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -1.057 -3.552 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -2.147 -2.150 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.238 -2.447 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.657 -5.489 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.858 -4.458 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.189 -5.514 -4.479 1.00 0.00 H new ATOM 467 N GLU A2593 -5.295 -4.372 -3.602 1.00 0.00 N ATOM 468 CA GLU A2593 -6.456 -5.147 -3.258 1.00 0.00 C ATOM 469 C GLU A2593 -7.641 -4.246 -2.985 1.00 0.00 C ATOM 470 O GLU A2593 -8.759 -4.511 -3.452 1.00 0.00 O ATOM 471 CB GLU A2593 -6.165 -6.006 -2.041 1.00 0.00 C ATOM 472 CG GLU A2593 -5.164 -7.113 -2.294 1.00 0.00 C ATOM 473 CD GLU A2593 -5.646 -8.048 -3.368 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.777 -8.551 -3.254 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.925 -8.268 -4.362 1.00 0.00 O ATOM 0 H GLU A2593 -4.545 -4.426 -2.912 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.702 -5.792 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.791 -5.368 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.098 -6.447 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.207 -6.681 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.994 -7.670 -1.373 1.00 0.00 H new ATOM 482 N TRP A2594 -7.384 -3.174 -2.262 1.00 0.00 N ATOM 483 CA TRP A2594 -8.402 -2.207 -1.917 1.00 0.00 C ATOM 484 C TRP A2594 -8.854 -1.488 -3.189 1.00 0.00 C ATOM 485 O TRP A2594 -10.029 -1.218 -3.382 1.00 0.00 O ATOM 486 CB TRP A2594 -7.836 -1.207 -0.895 1.00 0.00 C ATOM 487 CG TRP A2594 -8.885 -0.408 -0.191 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.568 -0.789 0.924 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.375 0.893 -0.533 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.454 0.185 1.290 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.357 1.227 0.418 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.088 1.809 -1.546 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.053 2.429 0.383 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.778 2.990 -1.569 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.748 3.297 -0.614 1.00 0.00 C ATOM 0 H TRP A2594 -6.458 -2.950 -1.897 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.261 -2.706 -1.468 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.249 -1.751 -0.155 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.155 -0.526 -1.405 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.429 -1.725 1.444 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.087 0.139 2.089 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.340 1.591 -2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.807 2.663 1.120 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.566 3.706 -2.349 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.266 4.243 -0.670 1.00 0.00 H new ATOM 506 N LEU A2595 -7.900 -1.233 -4.070 1.00 0.00 N ATOM 507 CA LEU A2595 -8.152 -0.591 -5.367 1.00 0.00 C ATOM 508 C LEU A2595 -9.057 -1.441 -6.239 1.00 0.00 C ATOM 509 O LEU A2595 -9.929 -0.921 -6.934 1.00 0.00 O ATOM 510 CB LEU A2595 -6.830 -0.310 -6.084 1.00 0.00 C ATOM 511 CG LEU A2595 -6.133 1.027 -5.782 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.168 1.378 -4.304 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.697 0.989 -6.277 1.00 0.00 C ATOM 0 H LEU A2595 -6.919 -1.464 -3.912 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.662 0.354 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.136 -1.115 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -7.011 -0.361 -7.158 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.683 1.806 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.663 2.331 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.204 1.457 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.663 0.599 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.212 1.940 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.160 0.184 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.688 0.815 -7.353 1.00 0.00 H new ATOM 525 N LYS A2596 -8.864 -2.748 -6.175 1.00 0.00 N ATOM 526 CA LYS A2596 -9.694 -3.703 -6.911 1.00 0.00 C ATOM 527 C LYS A2596 -11.128 -3.666 -6.408 1.00 0.00 C ATOM 528 O LYS A2596 -12.058 -4.039 -7.115 1.00 0.00 O ATOM 529 CB LYS A2596 -9.149 -5.125 -6.766 1.00 0.00 C ATOM 530 CG LYS A2596 -7.768 -5.323 -7.343 1.00 0.00 C ATOM 531 CD LYS A2596 -7.288 -6.746 -7.144 1.00 0.00 C ATOM 532 CE LYS A2596 -5.895 -6.954 -7.731 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.863 -6.762 -9.199 1.00 0.00 N ATOM 0 H LYS A2596 -8.131 -3.182 -5.614 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.671 -3.417 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.129 -5.388 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.836 -5.816 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.778 -5.086 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.071 -4.632 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.274 -6.981 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.989 -7.436 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.199 -6.259 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.550 -7.960 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.950 -7.093 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.634 -7.306 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.982 -5.753 -9.420 1.00 0.00 H new ATOM 547 N LEU A2597 -11.296 -3.210 -5.192 1.00 0.00 N ATOM 548 CA LEU A2597 -12.598 -3.132 -4.585 1.00 0.00 C ATOM 549 C LEU A2597 -13.190 -1.726 -4.728 1.00 0.00 C ATOM 550 O LEU A2597 -14.403 -1.542 -4.585 1.00 0.00 O ATOM 551 CB LEU A2597 -12.503 -3.515 -3.108 1.00 0.00 C ATOM 552 CG LEU A2597 -11.894 -4.891 -2.810 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.778 -5.109 -1.321 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.711 -6.005 -3.453 1.00 0.00 C ATOM 0 H LEU A2597 -10.535 -2.883 -4.597 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.259 -3.830 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.911 -2.758 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.504 -3.482 -2.679 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.894 -4.916 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.344 -6.090 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.139 -4.339 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.768 -5.055 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.255 -6.969 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.728 -5.983 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.735 -5.862 -4.533 1.00 0.00 H new ATOM 566 N HIS A2598 -12.346 -0.735 -5.010 1.00 0.00 N ATOM 567 CA HIS A2598 -12.796 0.655 -5.118 1.00 0.00 C ATOM 568 C HIS A2598 -12.188 1.360 -6.326 1.00 0.00 C ATOM 569 O HIS A2598 -11.171 2.045 -6.205 1.00 0.00 O ATOM 570 CB HIS A2598 -12.462 1.478 -3.852 1.00 0.00 C ATOM 571 CG HIS A2598 -13.106 0.971 -2.585 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.307 1.431 -2.084 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.679 0.033 -1.714 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.559 0.775 -0.954 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.603 -0.091 -0.683 1.00 0.00 N ATOM 0 H HIS A2598 -11.347 -0.867 -5.168 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.878 0.601 -5.236 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.381 1.487 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.772 2.510 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.763 -0.532 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.433 0.932 -0.339 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.552 -0.721 0.117 1.00 0.00 H new ATOM 583 N PRO A2599 -12.782 1.210 -7.518 1.00 0.00 N ATOM 584 CA PRO A2599 -12.295 1.897 -8.724 1.00 0.00 C ATOM 585 C PRO A2599 -12.602 3.398 -8.652 1.00 0.00 C ATOM 586 O PRO A2599 -11.969 4.216 -9.309 1.00 0.00 O ATOM 587 CB PRO A2599 -13.088 1.233 -9.857 1.00 0.00 C ATOM 588 CG PRO A2599 -14.333 0.734 -9.206 1.00 0.00 C ATOM 589 CD PRO A2599 -13.949 0.352 -7.803 1.00 0.00 C ATOM 0 HA PRO A2599 -11.216 1.816 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.314 1.944 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.524 0.418 -10.310 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -15.105 1.503 -9.202 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.738 -0.122 -9.745 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.762 0.535 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.697 -0.706 -7.730 1.00 0.00 H new ATOM 597 N THR A2600 -13.518 3.724 -7.774 1.00 0.00 N ATOM 598 CA THR A2600 -14.018 5.054 -7.553 1.00 0.00 C ATOM 599 C THR A2600 -13.234 5.745 -6.440 1.00 0.00 C ATOM 600 O THR A2600 -13.721 6.702 -5.801 1.00 0.00 O ATOM 601 CB THR A2600 -15.457 4.915 -7.089 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.502 3.852 -6.111 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.393 4.588 -8.235 1.00 0.00 C ATOM 0 H THR A2600 -13.955 3.033 -7.165 1.00 0.00 H new ATOM 0 HA THR A2600 -13.928 5.640 -8.468 1.00 0.00 H new ATOM 0 HB THR A2600 -15.787 5.863 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.257 3.259 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.412 4.497 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.350 5.384 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.091 3.647 -8.694 1.00 0.00 H new ATOM 611 N TYR A2601 -12.052 5.269 -6.164 1.00 0.00 N ATOM 612 CA TYR A2601 -11.299 5.847 -5.110 1.00 0.00 C ATOM 613 C TYR A2601 -10.437 6.989 -5.647 1.00 0.00 C ATOM 614 O TYR A2601 -10.398 7.249 -6.857 1.00 0.00 O ATOM 615 CB TYR A2601 -10.444 4.788 -4.400 1.00 0.00 C ATOM 616 CG TYR A2601 -9.043 4.625 -4.945 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.801 4.162 -6.228 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.966 4.970 -4.160 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.520 4.065 -6.709 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.693 4.871 -4.616 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.460 4.420 -5.895 1.00 0.00 C ATOM 622 OH TYR A2601 -5.162 4.333 -6.362 1.00 0.00 O ATOM 0 H TYR A2601 -11.603 4.494 -6.651 1.00 0.00 H new ATOM 0 HA TYR A2601 -11.989 6.256 -4.372 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.378 5.045 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.956 3.828 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.630 3.874 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.139 5.328 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.341 3.714 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.866 5.145 -3.978 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.542 4.622 -5.660 1.00 0.00 H new ATOM 632 N THR A2602 -9.803 7.671 -4.760 1.00 0.00 N ATOM 633 CA THR A2602 -8.865 8.710 -5.043 1.00 0.00 C ATOM 634 C THR A2602 -7.884 8.704 -3.892 1.00 0.00 C ATOM 635 O THR A2602 -8.285 8.453 -2.764 1.00 0.00 O ATOM 636 CB THR A2602 -9.607 10.068 -5.115 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.576 10.014 -6.167 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.668 11.224 -5.372 1.00 0.00 C ATOM 0 H THR A2602 -9.929 7.513 -3.760 1.00 0.00 H new ATOM 0 HA THR A2602 -8.357 8.559 -5.995 1.00 0.00 H new ATOM 0 HB THR A2602 -10.083 10.236 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.478 10.801 -6.743 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.237 12.153 -5.414 1.00 0.00 H new ATOM 0 HG22 THR A2602 -7.935 11.283 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.154 11.071 -6.321 1.00 0.00 H new ATOM 646 N VAL A2603 -6.624 8.870 -4.154 1.00 0.00 N ATOM 647 CA VAL A2603 -5.685 8.936 -3.068 1.00 0.00 C ATOM 648 C VAL A2603 -5.718 10.348 -2.465 1.00 0.00 C ATOM 649 O VAL A2603 -5.767 11.356 -3.199 1.00 0.00 O ATOM 650 CB VAL A2603 -4.255 8.452 -3.476 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.685 9.250 -4.613 1.00 0.00 C ATOM 652 CG2 VAL A2603 -3.299 8.437 -2.296 1.00 0.00 C ATOM 0 H VAL A2603 -6.224 8.961 -5.088 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.984 8.233 -2.290 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.372 7.425 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.691 8.875 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -4.334 9.157 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.616 10.298 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -2.318 8.094 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -3.212 9.443 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -3.679 7.763 -1.528 1.00 0.00 H new ATOM 662 N ASP A2604 -5.759 10.415 -1.153 1.00 0.00 N ATOM 663 CA ASP A2604 -5.936 11.678 -0.448 1.00 0.00 C ATOM 664 C ASP A2604 -4.647 12.464 -0.454 1.00 0.00 C ATOM 665 O ASP A2604 -4.641 13.673 -0.690 1.00 0.00 O ATOM 666 CB ASP A2604 -6.449 11.441 0.984 1.00 0.00 C ATOM 667 CG ASP A2604 -6.735 12.726 1.737 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.842 13.275 1.584 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.886 13.195 2.525 1.00 0.00 O ATOM 0 H ASP A2604 -5.672 9.603 -0.541 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.692 12.266 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.359 10.842 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.710 10.861 1.536 1.00 0.00 H new