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 Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2573 ASN : amide:sc= 0.637 K(o=0.64,f=-7.7!) USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A2589 LYS NZ :NH3+ 140:sc= -0.484 (180deg=-2.15!) USER MOD Single : A2596 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.226) USER MOD Single : A2598 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A2600 THR OG1 : rot -160:sc= 0.0489 USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 180:sc= 0.0477 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.843 -2.262 2.783 1.00 0.00 N ATOM 33 CA PRO A2565 4.507 -2.850 2.638 1.00 0.00 C ATOM 34 C PRO A2565 3.569 -2.432 3.766 1.00 0.00 C ATOM 35 O PRO A2565 2.343 -2.412 3.595 1.00 0.00 O ATOM 36 CB PRO A2565 4.764 -4.364 2.681 1.00 0.00 C ATOM 37 CG PRO A2565 6.110 -4.517 3.309 1.00 0.00 C ATOM 38 CD PRO A2565 6.888 -3.296 2.928 1.00 0.00 C ATOM 0 HA PRO A2565 4.017 -2.521 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A2565 3.998 -4.877 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.746 -4.795 1.680 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.027 -4.604 4.392 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.605 -5.421 2.954 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.617 -3.028 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.440 -3.444 2.000 1.00 0.00 H new ATOM 46 N ASP A2566 4.142 -2.083 4.895 1.00 0.00 N ATOM 47 CA ASP A2566 3.369 -1.682 6.048 1.00 0.00 C ATOM 48 C ASP A2566 2.886 -0.237 5.941 1.00 0.00 C ATOM 49 O ASP A2566 1.808 0.076 6.437 1.00 0.00 O ATOM 50 CB ASP A2566 4.175 -1.884 7.333 1.00 0.00 C ATOM 51 CG ASP A2566 3.449 -1.400 8.564 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.516 -2.084 9.034 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.793 -0.317 9.081 1.00 0.00 O ATOM 0 H ASP A2566 5.152 -2.069 5.040 1.00 0.00 H new ATOM 0 HA ASP A2566 2.485 -2.318 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.408 -2.943 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.125 -1.357 7.247 1.00 0.00 H new ATOM 58 N THR A2567 3.642 0.609 5.226 1.00 0.00 N ATOM 59 CA THR A2567 3.333 2.042 5.089 1.00 0.00 C ATOM 60 C THR A2567 1.880 2.254 4.629 1.00 0.00 C ATOM 61 O THR A2567 1.411 1.580 3.714 1.00 0.00 O ATOM 62 CB THR A2567 4.332 2.714 4.110 1.00 0.00 C ATOM 63 OG1 THR A2567 5.672 2.510 4.605 1.00 0.00 O ATOM 64 CG2 THR A2567 4.073 4.215 3.987 1.00 0.00 C ATOM 0 H THR A2567 4.484 0.321 4.727 1.00 0.00 H new ATOM 0 HA THR A2567 3.439 2.512 6.067 1.00 0.00 H new ATOM 0 HB THR A2567 4.205 2.264 3.125 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.314 2.929 3.994 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.791 4.653 3.294 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.062 4.380 3.615 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.181 4.684 4.965 1.00 0.00 H new ATOM 72 N ARG A2568 1.175 3.152 5.298 1.00 0.00 N ATOM 73 CA ARG A2568 -0.228 3.365 5.026 1.00 0.00 C ATOM 74 C ARG A2568 -0.383 4.307 3.883 1.00 0.00 C ATOM 75 O ARG A2568 0.388 5.267 3.753 1.00 0.00 O ATOM 76 CB ARG A2568 -0.936 3.978 6.206 1.00 0.00 C ATOM 77 CG ARG A2568 -0.653 3.354 7.537 1.00 0.00 C ATOM 78 CD ARG A2568 -0.980 1.883 7.591 1.00 0.00 C ATOM 79 NE ARG A2568 -0.827 1.435 8.992 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.274 0.318 9.439 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.356 -0.490 8.617 1.00 0.00 N ATOM 82 NH2 ARG A2568 -0.276 0.066 10.742 1.00 0.00 N ATOM 0 H ARG A2568 1.558 3.745 6.035 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.662 2.390 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.668 5.033 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.010 3.930 6.025 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.401 3.493 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.227 3.875 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -1.997 1.705 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.315 1.320 6.936 1.00 0.00 H new ATOM 0 HE ARG A2568 -1.194 2.066 9.704 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.422 -0.259 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A2568 0.779 -1.348 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -0.701 0.730 11.389 1.00 0.00 H new ATOM 0 HH22 ARG A2568 0.147 -0.792 11.096 1.00 0.00 H new ATOM 96 N ILE A2569 -1.369 4.064 3.089 1.00 0.00 N ATOM 97 CA ILE A2569 -1.635 4.865 1.940 1.00 0.00 C ATOM 98 C ILE A2569 -2.988 5.564 2.142 1.00 0.00 C ATOM 99 O ILE A2569 -4.038 4.924 2.043 1.00 0.00 O ATOM 100 CB ILE A2569 -1.697 3.962 0.693 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.464 3.013 0.651 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.783 4.817 -0.580 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.872 3.696 0.375 1.00 0.00 C ATOM 0 H ILE A2569 -2.023 3.293 3.220 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.848 5.607 1.803 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.595 3.346 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.396 2.489 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.633 2.257 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.826 4.166 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.680 5.435 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.904 5.458 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.667 2.950 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.832 4.196 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.073 4.431 1.155 1.00 0.00 H new ATOM 115 N PRO A2570 -2.977 6.858 2.494 1.00 0.00 N ATOM 116 CA PRO A2570 -4.202 7.612 2.768 1.00 0.00 C ATOM 117 C PRO A2570 -5.062 7.828 1.518 1.00 0.00 C ATOM 118 O PRO A2570 -4.736 8.641 0.647 1.00 0.00 O ATOM 119 CB PRO A2570 -3.699 8.947 3.333 1.00 0.00 C ATOM 120 CG PRO A2570 -2.302 9.082 2.839 1.00 0.00 C ATOM 121 CD PRO A2570 -1.767 7.688 2.668 1.00 0.00 C ATOM 0 HA PRO A2570 -4.855 7.075 3.455 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.318 9.777 2.992 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.733 8.951 4.422 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.277 9.625 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.694 9.646 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.107 7.617 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.189 7.373 3.537 1.00 0.00 H new ATOM 129 N VAL A2571 -6.147 7.099 1.430 1.00 0.00 N ATOM 130 CA VAL A2571 -7.028 7.177 0.285 1.00 0.00 C ATOM 131 C VAL A2571 -8.447 7.541 0.709 1.00 0.00 C ATOM 132 O VAL A2571 -8.801 7.441 1.884 1.00 0.00 O ATOM 133 CB VAL A2571 -7.038 5.868 -0.551 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.673 5.602 -1.170 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.464 4.682 0.292 1.00 0.00 C ATOM 0 H VAL A2571 -6.446 6.436 2.146 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.634 7.968 -0.353 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.764 6.001 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.710 4.679 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.402 6.431 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.928 5.505 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.461 3.780 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.770 4.558 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.468 4.854 0.681 1.00 0.00 H new ATOM 145 N ILE A2572 -9.241 7.954 -0.238 1.00 0.00 N ATOM 146 CA ILE A2572 -10.605 8.369 0.002 1.00 0.00 C ATOM 147 C ILE A2572 -11.521 7.823 -1.108 1.00 0.00 C ATOM 148 O ILE A2572 -11.118 7.733 -2.265 1.00 0.00 O ATOM 149 CB ILE A2572 -10.710 9.940 0.138 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.185 10.410 0.208 1.00 0.00 C ATOM 151 CG2 ILE A2572 -9.944 10.648 -0.969 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.381 11.904 0.326 1.00 0.00 C ATOM 0 H ILE A2572 -8.959 8.015 -1.216 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.939 7.951 0.952 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.241 10.217 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.703 10.061 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.663 9.929 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.038 11.727 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -8.892 10.367 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.352 10.358 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.447 12.129 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.898 12.264 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -11.940 12.398 -0.539 1.00 0.00 H new ATOM 164 N ASN A2573 -12.719 7.421 -0.746 1.00 0.00 N ATOM 165 CA ASN A2573 -13.665 6.852 -1.701 1.00 0.00 C ATOM 166 C ASN A2573 -14.652 7.931 -2.106 1.00 0.00 C ATOM 167 O ASN A2573 -15.349 8.472 -1.254 1.00 0.00 O ATOM 168 CB ASN A2573 -14.450 5.710 -1.053 1.00 0.00 C ATOM 169 CG ASN A2573 -15.266 4.883 -2.048 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.678 5.359 -3.111 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.555 3.670 -1.693 1.00 0.00 N ATOM 0 H ASN A2573 -13.070 7.475 0.210 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.116 6.475 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.754 5.052 -0.532 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.122 6.124 -0.301 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.134 3.086 -2.296 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.203 3.299 -0.810 1.00 0.00 H new ATOM 178 N LEU A2574 -14.754 8.206 -3.387 1.00 0.00 N ATOM 179 CA LEU A2574 -15.643 9.263 -3.872 1.00 0.00 C ATOM 180 C LEU A2574 -17.104 8.805 -3.929 1.00 0.00 C ATOM 181 O LEU A2574 -18.027 9.630 -3.960 1.00 0.00 O ATOM 182 CB LEU A2574 -15.190 9.765 -5.247 1.00 0.00 C ATOM 183 CG LEU A2574 -13.782 10.369 -5.314 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.445 10.777 -6.736 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.658 11.566 -4.377 1.00 0.00 C ATOM 0 H LEU A2574 -14.237 7.719 -4.119 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.583 10.084 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.240 8.933 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.902 10.516 -5.590 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.072 9.607 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.442 11.204 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.486 9.902 -7.385 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.165 11.519 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.650 11.977 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.381 12.330 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.854 11.248 -3.353 1.00 0.00 H new ATOM 197 N GLU A2575 -17.322 7.508 -3.923 1.00 0.00 N ATOM 198 CA GLU A2575 -18.674 6.974 -3.997 1.00 0.00 C ATOM 199 C GLU A2575 -19.256 6.724 -2.624 1.00 0.00 C ATOM 200 O GLU A2575 -20.468 6.614 -2.465 1.00 0.00 O ATOM 201 CB GLU A2575 -18.728 5.713 -4.853 1.00 0.00 C ATOM 202 CG GLU A2575 -18.327 5.949 -6.298 1.00 0.00 C ATOM 203 CD GLU A2575 -19.219 6.948 -7.007 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.016 8.163 -6.848 1.00 0.00 O ATOM 205 OE2 GLU A2575 -20.129 6.528 -7.747 1.00 0.00 O ATOM 0 H GLU A2575 -16.587 6.802 -3.868 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.291 7.732 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.070 4.960 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.739 5.307 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.297 6.304 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.354 5.001 -6.836 1.00 0.00 H new ATOM 212 N ASP A2576 -18.410 6.636 -1.641 1.00 0.00 N ATOM 213 CA ASP A2576 -18.880 6.398 -0.286 1.00 0.00 C ATOM 214 C ASP A2576 -18.734 7.640 0.556 1.00 0.00 C ATOM 215 O ASP A2576 -19.642 8.021 1.292 1.00 0.00 O ATOM 216 CB ASP A2576 -18.121 5.245 0.368 1.00 0.00 C ATOM 217 CG ASP A2576 -18.604 4.956 1.774 1.00 0.00 C ATOM 218 OD1 ASP A2576 -19.545 4.160 1.933 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.043 5.512 2.735 1.00 0.00 O ATOM 0 H ASP A2576 -17.398 6.723 -1.738 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.935 6.130 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.232 4.349 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.058 5.483 0.394 1.00 0.00 H new ATOM 224 N GLY A2577 -17.598 8.289 0.425 1.00 0.00 N ATOM 225 CA GLY A2577 -17.310 9.442 1.228 1.00 0.00 C ATOM 226 C GLY A2577 -16.299 9.111 2.294 1.00 0.00 C ATOM 227 O GLY A2577 -15.779 10.009 2.969 1.00 0.00 O ATOM 0 H GLY A2577 -16.862 8.032 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.930 10.245 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.227 9.807 1.691 1.00 0.00 H new ATOM 231 N THR A2578 -16.027 7.817 2.450 1.00 0.00 N ATOM 232 CA THR A2578 -15.087 7.331 3.427 1.00 0.00 C ATOM 233 C THR A2578 -13.682 7.787 3.068 1.00 0.00 C ATOM 234 O THR A2578 -13.378 8.055 1.894 1.00 0.00 O ATOM 235 CB THR A2578 -15.139 5.772 3.564 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.522 5.351 4.788 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.431 5.074 2.409 1.00 0.00 C ATOM 0 H THR A2578 -16.461 7.081 1.893 1.00 0.00 H new ATOM 0 HA THR A2578 -15.366 7.750 4.394 1.00 0.00 H new ATOM 0 HB THR A2578 -16.193 5.495 3.555 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.565 4.374 4.857 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.491 3.994 2.544 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.910 5.349 1.469 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.385 5.379 2.386 1.00 0.00 H new ATOM 245 N ARG A2579 -12.833 7.828 4.041 1.00 0.00 N ATOM 246 CA ARG A2579 -11.509 8.292 3.873 1.00 0.00 C ATOM 247 C ARG A2579 -10.690 7.636 4.901 1.00 0.00 C ATOM 248 O ARG A2579 -10.991 7.709 6.093 1.00 0.00 O ATOM 249 CB ARG A2579 -11.415 9.812 3.980 1.00 0.00 C ATOM 250 CG ARG A2579 -10.008 10.329 3.795 1.00 0.00 C ATOM 251 CD ARG A2579 -9.956 11.830 3.637 1.00 0.00 C ATOM 252 NE ARG A2579 -10.367 12.558 4.835 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.827 13.721 5.224 1.00 0.00 C ATOM 254 NH1 ARG A2579 -8.810 14.256 4.551 1.00 0.00 N ATOM 255 NH2 ARG A2579 -10.302 14.343 6.289 1.00 0.00 N ATOM 0 H ARG A2579 -13.052 7.532 4.992 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.152 8.044 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.064 10.265 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.787 10.126 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.402 10.037 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.565 9.860 2.917 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -8.940 12.124 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.598 12.122 2.806 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.109 12.157 5.409 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.435 13.780 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -8.406 15.142 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.078 13.938 6.813 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -9.893 15.228 6.587 1.00 0.00 H new ATOM 269 N LEU A2580 -9.686 7.000 4.467 1.00 0.00 N ATOM 270 CA LEU A2580 -8.899 6.211 5.307 1.00 0.00 C ATOM 271 C LEU A2580 -7.517 6.784 5.322 1.00 0.00 C ATOM 272 O LEU A2580 -6.778 6.695 4.334 1.00 0.00 O ATOM 273 CB LEU A2580 -8.908 4.734 4.842 1.00 0.00 C ATOM 274 CG LEU A2580 -10.295 4.044 4.662 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.216 4.238 5.856 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.965 4.426 3.347 1.00 0.00 C ATOM 0 H LEU A2580 -9.381 7.014 3.494 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.301 6.217 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.378 4.678 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.333 4.151 5.562 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.092 2.974 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.165 3.735 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.751 3.816 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.394 5.302 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.927 3.920 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.119 5.505 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.329 4.127 2.514 1.00 0.00 H new ATOM 288 N VAL A2581 -7.213 7.442 6.397 1.00 0.00 N ATOM 289 CA VAL A2581 -5.946 8.081 6.601 1.00 0.00 C ATOM 290 C VAL A2581 -5.374 7.592 7.925 1.00 0.00 C ATOM 291 O VAL A2581 -6.133 7.168 8.807 1.00 0.00 O ATOM 292 CB VAL A2581 -6.079 9.643 6.594 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.533 10.144 5.221 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.061 10.123 7.661 1.00 0.00 C ATOM 0 H VAL A2581 -7.856 7.554 7.181 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.274 7.821 5.783 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.094 10.052 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.618 11.230 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.803 9.851 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.502 9.708 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.130 11.210 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.044 9.691 7.471 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.711 9.810 8.645 1.00 0.00 H new ATOM 304 N GLY A2582 -4.074 7.607 8.054 1.00 0.00 N ATOM 305 CA GLY A2582 -3.448 7.127 9.265 1.00 0.00 C ATOM 306 C GLY A2582 -3.473 5.615 9.315 1.00 0.00 C ATOM 307 O GLY A2582 -3.231 4.969 8.314 1.00 0.00 O ATOM 0 H GLY A2582 -3.427 7.944 7.341 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.418 7.481 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.966 7.533 10.134 1.00 0.00 H new ATOM 311 N GLU A2583 -3.818 5.056 10.452 1.00 0.00 N ATOM 312 CA GLU A2583 -3.887 3.604 10.614 1.00 0.00 C ATOM 313 C GLU A2583 -5.083 3.018 9.906 1.00 0.00 C ATOM 314 O GLU A2583 -5.109 1.840 9.574 1.00 0.00 O ATOM 315 CB GLU A2583 -3.893 3.241 12.080 1.00 0.00 C ATOM 316 CG GLU A2583 -2.599 3.585 12.764 1.00 0.00 C ATOM 317 CD GLU A2583 -1.433 2.823 12.175 1.00 0.00 C ATOM 318 OE1 GLU A2583 -0.883 3.254 11.147 1.00 0.00 O ATOM 319 OE2 GLU A2583 -1.058 1.763 12.716 1.00 0.00 O ATOM 0 H GLU A2583 -4.059 5.582 11.292 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.999 3.173 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.712 3.761 12.576 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.083 2.173 12.186 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.415 4.656 12.676 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.679 3.361 13.828 1.00 0.00 H new ATOM 326 N ASP A2584 -6.066 3.852 9.676 1.00 0.00 N ATOM 327 CA ASP A2584 -7.259 3.460 8.920 1.00 0.00 C ATOM 328 C ASP A2584 -6.916 3.245 7.472 1.00 0.00 C ATOM 329 O ASP A2584 -7.589 2.489 6.764 1.00 0.00 O ATOM 330 CB ASP A2584 -8.365 4.516 9.012 1.00 0.00 C ATOM 331 CG ASP A2584 -9.062 4.539 10.337 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.563 5.178 11.277 1.00 0.00 O ATOM 333 OD2 ASP A2584 -10.149 3.922 10.455 1.00 0.00 O ATOM 0 H ASP A2584 -6.075 4.819 10.000 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.624 2.533 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.934 5.499 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.099 4.331 8.228 1.00 0.00 H new ATOM 338 N ALA A2585 -5.856 3.895 7.035 1.00 0.00 N ATOM 339 CA ALA A2585 -5.423 3.823 5.666 1.00 0.00 C ATOM 340 C ALA A2585 -4.906 2.431 5.350 1.00 0.00 C ATOM 341 O ALA A2585 -4.237 1.794 6.190 1.00 0.00 O ATOM 342 CB ALA A2585 -4.360 4.866 5.405 1.00 0.00 C ATOM 0 H ALA A2585 -5.273 4.488 7.626 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.272 4.025 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.037 4.805 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.768 5.858 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.507 4.689 6.061 1.00 0.00 H new ATOM 348 N PRO A2586 -5.246 1.913 4.164 1.00 0.00 N ATOM 349 CA PRO A2586 -4.803 0.605 3.734 1.00 0.00 C ATOM 350 C PRO A2586 -3.285 0.540 3.637 1.00 0.00 C ATOM 351 O PRO A2586 -2.617 1.535 3.293 1.00 0.00 O ATOM 352 CB PRO A2586 -5.454 0.407 2.353 1.00 0.00 C ATOM 353 CG PRO A2586 -5.833 1.773 1.904 1.00 0.00 C ATOM 354 CD PRO A2586 -6.085 2.574 3.147 1.00 0.00 C ATOM 0 HA PRO A2586 -5.088 -0.175 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.760 -0.060 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.327 -0.243 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.037 2.221 1.309 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.723 1.742 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.805 3.619 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.139 2.560 3.426 1.00 0.00 H new ATOM 362 N LYS A2587 -2.751 -0.591 3.989 1.00 0.00 N ATOM 363 CA LYS A2587 -1.333 -0.825 3.951 1.00 0.00 C ATOM 364 C LYS A2587 -0.892 -0.906 2.513 1.00 0.00 C ATOM 365 O LYS A2587 -1.645 -1.378 1.669 1.00 0.00 O ATOM 366 CB LYS A2587 -1.032 -2.137 4.647 1.00 0.00 C ATOM 367 CG LYS A2587 -1.565 -2.193 6.057 1.00 0.00 C ATOM 368 CD LYS A2587 -1.473 -3.583 6.622 1.00 0.00 C ATOM 369 CE LYS A2587 -2.136 -3.644 7.974 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.185 -5.014 8.511 1.00 0.00 N ATOM 0 H LYS A2587 -3.293 -1.391 4.316 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.803 -0.015 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.462 -2.955 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.047 -2.293 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -1.003 -1.504 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.603 -1.862 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -1.950 -4.291 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.428 -3.879 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.596 -3.002 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -3.149 -3.250 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.649 -5.006 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.723 -5.623 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -1.218 -5.383 8.610 1.00 0.00 H new ATOM 384 N ASN A2588 0.317 -0.476 2.250 1.00 0.00 N ATOM 385 CA ASN A2588 0.900 -0.457 0.891 1.00 0.00 C ATOM 386 C ASN A2588 0.822 -1.844 0.216 1.00 0.00 C ATOM 387 O ASN A2588 0.630 -1.956 -1.004 1.00 0.00 O ATOM 388 CB ASN A2588 2.354 0.016 0.973 1.00 0.00 C ATOM 389 CG ASN A2588 3.018 0.200 -0.377 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.380 0.567 -1.362 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.299 -0.036 -0.428 1.00 0.00 N ATOM 0 H ASN A2588 0.948 -0.121 2.968 1.00 0.00 H new ATOM 0 HA ASN A2588 0.321 0.233 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.388 0.961 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.928 -0.706 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.805 0.083 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.795 -0.339 0.410 1.00 0.00 H new ATOM 398 N LYS A2589 0.939 -2.887 1.028 1.00 0.00 N ATOM 399 CA LYS A2589 0.828 -4.265 0.556 1.00 0.00 C ATOM 400 C LYS A2589 -0.602 -4.602 0.086 1.00 0.00 C ATOM 401 O LYS A2589 -0.788 -5.212 -0.964 1.00 0.00 O ATOM 402 CB LYS A2589 1.300 -5.264 1.649 1.00 0.00 C ATOM 403 CG LYS A2589 0.612 -5.087 3.007 1.00 0.00 C ATOM 404 CD LYS A2589 1.146 -6.021 4.107 1.00 0.00 C ATOM 405 CE LYS A2589 0.643 -7.474 4.004 1.00 0.00 C ATOM 406 NZ LYS A2589 1.162 -8.228 2.836 1.00 0.00 N ATOM 0 H LYS A2589 1.113 -2.804 2.030 1.00 0.00 H new ATOM 0 HA LYS A2589 1.484 -4.363 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.124 -6.280 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.376 -5.155 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.733 -4.054 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.457 -5.260 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.235 -6.022 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.861 -5.618 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.920 -8.005 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -0.446 -7.465 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 1.384 -9.203 3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 0.443 -8.243 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 2.024 -7.767 2.480 1.00 0.00 H new ATOM 420 N ASP A2590 -1.595 -4.145 0.828 1.00 0.00 N ATOM 421 CA ASP A2590 -2.998 -4.480 0.540 1.00 0.00 C ATOM 422 C ASP A2590 -3.681 -3.404 -0.266 1.00 0.00 C ATOM 423 O ASP A2590 -4.874 -3.503 -0.571 1.00 0.00 O ATOM 424 CB ASP A2590 -3.793 -4.759 1.821 1.00 0.00 C ATOM 425 CG ASP A2590 -3.383 -6.037 2.500 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.580 -7.113 1.913 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.871 -6.000 3.647 1.00 0.00 O ATOM 0 H ASP A2590 -1.466 -3.539 1.638 1.00 0.00 H new ATOM 0 HA ASP A2590 -2.977 -5.392 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.660 -3.927 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.855 -4.806 1.580 1.00 0.00 H new ATOM 432 N LEU A2591 -2.917 -2.390 -0.626 1.00 0.00 N ATOM 433 CA LEU A2591 -3.398 -1.264 -1.411 1.00 0.00 C ATOM 434 C LEU A2591 -4.030 -1.749 -2.713 1.00 0.00 C ATOM 435 O LEU A2591 -5.132 -1.358 -3.057 1.00 0.00 O ATOM 436 CB LEU A2591 -2.235 -0.309 -1.719 1.00 0.00 C ATOM 437 CG LEU A2591 -2.574 0.937 -2.537 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.538 1.842 -1.789 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.308 1.678 -2.932 1.00 0.00 C ATOM 0 H LEU A2591 -1.930 -2.322 -0.379 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.156 -0.735 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.798 0.012 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.466 -0.868 -2.252 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.075 0.617 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.760 2.719 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.461 1.300 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.086 2.157 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.570 2.562 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.769 1.981 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.675 1.024 -3.532 1.00 0.00 H new ATOM 451 N VAL A2592 -3.343 -2.657 -3.379 1.00 0.00 N ATOM 452 CA VAL A2592 -3.789 -3.195 -4.658 1.00 0.00 C ATOM 453 C VAL A2592 -5.158 -3.879 -4.552 1.00 0.00 C ATOM 454 O VAL A2592 -6.009 -3.695 -5.405 1.00 0.00 O ATOM 455 CB VAL A2592 -2.739 -4.160 -5.267 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.468 -3.402 -5.607 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.417 -5.297 -4.305 1.00 0.00 C ATOM 0 H VAL A2592 -2.459 -3.045 -3.052 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.899 -2.345 -5.331 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.161 -4.587 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.738 -4.089 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.694 -2.618 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.058 -2.954 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.678 -5.958 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -2.017 -4.887 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.325 -5.860 -4.091 1.00 0.00 H new ATOM 467 N GLU A2593 -5.369 -4.605 -3.461 1.00 0.00 N ATOM 468 CA GLU A2593 -6.602 -5.325 -3.207 1.00 0.00 C ATOM 469 C GLU A2593 -7.764 -4.349 -3.087 1.00 0.00 C ATOM 470 O GLU A2593 -8.832 -4.547 -3.672 1.00 0.00 O ATOM 471 CB GLU A2593 -6.467 -6.101 -1.901 1.00 0.00 C ATOM 472 CG GLU A2593 -5.386 -7.174 -1.896 1.00 0.00 C ATOM 473 CD GLU A2593 -5.685 -8.299 -2.849 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.747 -8.941 -2.703 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.872 -8.573 -3.749 1.00 0.00 O ATOM 0 H GLU A2593 -4.676 -4.709 -2.720 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.793 -6.009 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.260 -5.395 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.424 -6.571 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.430 -6.723 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.281 -7.575 -0.888 1.00 0.00 H new ATOM 482 N TRP A2594 -7.516 -3.279 -2.360 1.00 0.00 N ATOM 483 CA TRP A2594 -8.509 -2.255 -2.102 1.00 0.00 C ATOM 484 C TRP A2594 -8.860 -1.542 -3.418 1.00 0.00 C ATOM 485 O TRP A2594 -10.016 -1.238 -3.693 1.00 0.00 O ATOM 486 CB TRP A2594 -7.945 -1.257 -1.079 1.00 0.00 C ATOM 487 CG TRP A2594 -8.995 -0.517 -0.320 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.651 -0.979 0.769 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.506 0.799 -0.566 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.550 -0.057 1.216 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.483 1.048 0.421 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.246 1.787 -1.515 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.194 2.237 0.484 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.956 2.962 -1.443 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.917 3.182 -0.452 1.00 0.00 C ATOM 0 H TRP A2594 -6.611 -3.093 -1.927 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.416 -2.703 -1.697 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.310 -1.793 -0.374 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.310 -0.539 -1.598 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.485 -1.945 1.222 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.172 -0.175 2.016 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.506 1.633 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.939 2.405 1.248 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.766 3.736 -2.172 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.450 4.121 -0.430 1.00 0.00 H new ATOM 506 N LEU A2595 -7.852 -1.348 -4.240 1.00 0.00 N ATOM 507 CA LEU A2595 -7.987 -0.686 -5.546 1.00 0.00 C ATOM 508 C LEU A2595 -8.819 -1.501 -6.514 1.00 0.00 C ATOM 509 O LEU A2595 -9.533 -0.945 -7.362 1.00 0.00 O ATOM 510 CB LEU A2595 -6.607 -0.421 -6.126 1.00 0.00 C ATOM 511 CG LEU A2595 -5.927 0.903 -5.740 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.159 1.278 -4.275 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.440 0.809 -6.029 1.00 0.00 C ATOM 0 H LEU A2595 -6.899 -1.644 -4.030 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.509 0.258 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.951 -1.238 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.684 -0.457 -7.213 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.377 1.693 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.657 2.221 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.228 1.385 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.757 0.496 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.956 1.747 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.007 -0.005 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.287 0.618 -7.091 1.00 0.00 H new ATOM 525 N LYS A2596 -8.711 -2.807 -6.409 1.00 0.00 N ATOM 526 CA LYS A2596 -9.494 -3.713 -7.234 1.00 0.00 C ATOM 527 C LYS A2596 -10.972 -3.574 -6.891 1.00 0.00 C ATOM 528 O LYS A2596 -11.844 -3.596 -7.773 1.00 0.00 O ATOM 529 CB LYS A2596 -9.067 -5.171 -7.008 1.00 0.00 C ATOM 530 CG LYS A2596 -7.601 -5.460 -7.291 1.00 0.00 C ATOM 531 CD LYS A2596 -7.237 -6.917 -7.004 1.00 0.00 C ATOM 532 CE LYS A2596 -7.902 -7.881 -7.980 1.00 0.00 C ATOM 533 NZ LYS A2596 -7.446 -7.664 -9.365 1.00 0.00 N ATOM 0 H LYS A2596 -8.083 -3.273 -5.754 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.323 -3.452 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.283 -5.441 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.678 -5.815 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.381 -5.230 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.978 -4.804 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.155 -7.037 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.535 -7.170 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -7.684 -8.907 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -8.984 -7.758 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -7.743 -8.465 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -7.864 -6.786 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.409 -7.587 -9.381 1.00 0.00 H new ATOM 547 N LEU A2597 -11.245 -3.399 -5.615 1.00 0.00 N ATOM 548 CA LEU A2597 -12.603 -3.337 -5.114 1.00 0.00 C ATOM 549 C LEU A2597 -13.195 -1.931 -5.205 1.00 0.00 C ATOM 550 O LEU A2597 -14.423 -1.769 -5.274 1.00 0.00 O ATOM 551 CB LEU A2597 -12.651 -3.845 -3.672 1.00 0.00 C ATOM 552 CG LEU A2597 -12.176 -5.291 -3.461 1.00 0.00 C ATOM 553 CD1 LEU A2597 -12.232 -5.670 -1.997 1.00 0.00 C ATOM 554 CD2 LEU A2597 -13.002 -6.261 -4.295 1.00 0.00 C ATOM 0 H LEU A2597 -10.531 -3.296 -4.894 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.214 -3.980 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -12.040 -3.187 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.676 -3.762 -3.310 1.00 0.00 H new ATOM 0 HG LEU A2597 -11.139 -5.354 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.891 -6.698 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.588 -5.003 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.257 -5.582 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.647 -7.278 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -14.050 -6.190 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.901 -6.010 -5.351 1.00 0.00 H new ATOM 566 N HIS A2598 -12.348 -0.920 -5.214 1.00 0.00 N ATOM 567 CA HIS A2598 -12.816 0.458 -5.267 1.00 0.00 C ATOM 568 C HIS A2598 -12.130 1.225 -6.386 1.00 0.00 C ATOM 569 O HIS A2598 -11.171 1.934 -6.150 1.00 0.00 O ATOM 570 CB HIS A2598 -12.583 1.196 -3.932 1.00 0.00 C ATOM 571 CG HIS A2598 -13.209 0.528 -2.733 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.534 0.656 -2.372 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.657 -0.299 -1.818 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.732 -0.077 -1.272 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.623 -0.680 -0.895 1.00 0.00 N ATOM 0 H HIS A2598 -11.334 -1.023 -5.185 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.888 0.416 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.510 1.286 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.979 2.208 -4.017 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.624 -0.615 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.678 -0.164 -0.759 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.499 -1.298 -0.093 1.00 0.00 H new ATOM 583 N PRO A2599 -12.598 1.087 -7.631 1.00 0.00 N ATOM 584 CA PRO A2599 -11.998 1.793 -8.771 1.00 0.00 C ATOM 585 C PRO A2599 -12.278 3.294 -8.712 1.00 0.00 C ATOM 586 O PRO A2599 -11.518 4.118 -9.234 1.00 0.00 O ATOM 587 CB PRO A2599 -12.685 1.162 -9.988 1.00 0.00 C ATOM 588 CG PRO A2599 -13.980 0.626 -9.466 1.00 0.00 C ATOM 589 CD PRO A2599 -13.722 0.221 -8.042 1.00 0.00 C ATOM 0 HA PRO A2599 -10.912 1.699 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.851 1.899 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.074 0.369 -10.419 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.764 1.381 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.316 -0.225 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.600 0.379 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.463 -0.835 -7.967 1.00 0.00 H new ATOM 597 N THR A2600 -13.321 3.633 -7.994 1.00 0.00 N ATOM 598 CA THR A2600 -13.811 4.975 -7.866 1.00 0.00 C ATOM 599 C THR A2600 -13.212 5.649 -6.645 1.00 0.00 C ATOM 600 O THR A2600 -13.774 6.605 -6.088 1.00 0.00 O ATOM 601 CB THR A2600 -15.325 4.923 -7.733 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.676 3.903 -6.769 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.973 4.610 -9.072 1.00 0.00 C ATOM 0 H THR A2600 -13.868 2.954 -7.465 1.00 0.00 H new ATOM 0 HA THR A2600 -13.527 5.552 -8.746 1.00 0.00 H new ATOM 0 HB THR A2600 -15.687 5.895 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.610 3.637 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.056 4.578 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.710 5.384 -9.793 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.618 3.644 -9.431 1.00 0.00 H new ATOM 611 N TYR A2601 -12.088 5.151 -6.226 1.00 0.00 N ATOM 612 CA TYR A2601 -11.412 5.718 -5.116 1.00 0.00 C ATOM 613 C TYR A2601 -10.485 6.806 -5.641 1.00 0.00 C ATOM 614 O TYR A2601 -10.305 6.952 -6.861 1.00 0.00 O ATOM 615 CB TYR A2601 -10.567 4.643 -4.398 1.00 0.00 C ATOM 616 CG TYR A2601 -9.168 4.453 -4.973 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.960 3.941 -6.244 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.064 4.827 -4.233 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.700 3.822 -6.760 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.801 4.704 -4.731 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.616 4.202 -6.001 1.00 0.00 C ATOM 622 OH TYR A2601 -5.341 4.099 -6.522 1.00 0.00 O ATOM 0 H TYR A2601 -11.623 4.346 -6.645 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.136 6.125 -4.410 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.480 4.910 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.097 3.692 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.808 3.631 -6.837 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.204 5.225 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.556 3.432 -7.757 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.951 4.998 -4.134 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.690 4.409 -5.858 1.00 0.00 H new ATOM 632 N THR A2602 -9.916 7.534 -4.764 1.00 0.00 N ATOM 633 CA THR A2602 -8.888 8.428 -5.098 1.00 0.00 C ATOM 634 C THR A2602 -7.980 8.527 -3.885 1.00 0.00 C ATOM 635 O THR A2602 -8.267 7.913 -2.848 1.00 0.00 O ATOM 636 CB THR A2602 -9.418 9.803 -5.571 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.341 10.566 -6.106 1.00 0.00 O ATOM 638 CG2 THR A2602 -10.075 10.582 -4.449 1.00 0.00 C ATOM 0 H THR A2602 -10.158 7.524 -3.773 1.00 0.00 H new ATOM 0 HA THR A2602 -8.328 8.057 -5.956 1.00 0.00 H new ATOM 0 HB THR A2602 -10.175 9.620 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.675 11.437 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.431 11.539 -4.830 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.917 10.013 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.350 10.755 -3.653 1.00 0.00 H new ATOM 646 N VAL A2603 -6.922 9.241 -3.985 1.00 0.00 N ATOM 647 CA VAL A2603 -5.977 9.296 -2.912 1.00 0.00 C ATOM 648 C VAL A2603 -6.150 10.628 -2.192 1.00 0.00 C ATOM 649 O VAL A2603 -6.373 11.648 -2.837 1.00 0.00 O ATOM 650 CB VAL A2603 -4.521 9.135 -3.442 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.539 8.923 -2.307 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.419 7.990 -4.453 1.00 0.00 C ATOM 0 H VAL A2603 -6.679 9.803 -4.801 1.00 0.00 H new ATOM 0 HA VAL A2603 -6.157 8.474 -2.219 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.260 10.064 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.533 8.814 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.569 9.781 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.808 8.021 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.390 7.904 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.719 7.056 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -5.075 8.193 -5.300 1.00 0.00 H new ATOM 662 N ASP A2604 -6.079 10.618 -0.864 1.00 0.00 N ATOM 663 CA ASP A2604 -6.249 11.854 -0.083 1.00 0.00 C ATOM 664 C ASP A2604 -5.026 12.728 -0.248 1.00 0.00 C ATOM 665 O ASP A2604 -5.101 13.959 -0.237 1.00 0.00 O ATOM 666 CB ASP A2604 -6.514 11.551 1.402 1.00 0.00 C ATOM 667 CG ASP A2604 -6.601 12.809 2.250 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.679 13.445 2.281 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.612 13.171 2.903 1.00 0.00 O ATOM 0 H ASP A2604 -5.907 9.782 -0.305 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.122 12.386 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.444 10.991 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.718 10.913 1.786 1.00 0.00 H new