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= -1.48 K(o=0.0045,f=-0.74!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.0651 K(o=0.0045,f=-2.1) USER MOD Set 1.3: A2600 THR OG1 : rot 168:sc= 1.55 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot -22:sc= 0.237 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+ 141:sc= 1 (180deg=-0.64!) USER MOD Single : A2596 LYS NZ :NH3+ -172:sc=-0.00902 (180deg=-0.0773) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 8:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.694 -1.620 1.365 1.00 0.00 N ATOM 33 CA PRO A2565 4.421 -2.308 1.540 1.00 0.00 C ATOM 34 C PRO A2565 3.752 -2.024 2.901 1.00 0.00 C ATOM 35 O PRO A2565 2.520 -2.139 3.022 1.00 0.00 O ATOM 36 CB PRO A2565 4.778 -3.803 1.427 1.00 0.00 C ATOM 37 CG PRO A2565 6.254 -3.876 1.573 1.00 0.00 C ATOM 38 CD PRO A2565 6.788 -2.568 1.085 1.00 0.00 C ATOM 0 HA PRO A2565 3.698 -1.970 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.279 -4.384 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.459 -4.210 0.468 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.534 -4.047 2.612 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.662 -4.704 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.703 -2.289 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.025 -2.604 0.022 1.00 0.00 H new ATOM 46 N ASP A2566 4.537 -1.619 3.907 1.00 0.00 N ATOM 47 CA ASP A2566 3.965 -1.401 5.249 1.00 0.00 C ATOM 48 C ASP A2566 3.413 0.008 5.390 1.00 0.00 C ATOM 49 O ASP A2566 2.547 0.277 6.243 1.00 0.00 O ATOM 50 CB ASP A2566 4.993 -1.700 6.347 1.00 0.00 C ATOM 51 CG ASP A2566 4.463 -1.480 7.762 1.00 0.00 C ATOM 52 OD1 ASP A2566 3.592 -2.264 8.224 1.00 0.00 O ATOM 53 OD2 ASP A2566 4.917 -0.529 8.450 1.00 0.00 O ATOM 0 H ASP A2566 5.538 -1.439 3.828 1.00 0.00 H new ATOM 0 HA ASP A2566 3.136 -2.098 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.325 -2.734 6.250 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.868 -1.069 6.194 1.00 0.00 H new ATOM 58 N THR A2567 3.882 0.893 4.524 1.00 0.00 N ATOM 59 CA THR A2567 3.456 2.270 4.517 1.00 0.00 C ATOM 60 C THR A2567 1.945 2.348 4.270 1.00 0.00 C ATOM 61 O THR A2567 1.419 1.705 3.354 1.00 0.00 O ATOM 62 CB THR A2567 4.208 3.056 3.418 1.00 0.00 C ATOM 63 OG1 THR A2567 5.628 2.923 3.615 1.00 0.00 O ATOM 64 CG2 THR A2567 3.842 4.536 3.440 1.00 0.00 C ATOM 0 H THR A2567 4.571 0.668 3.806 1.00 0.00 H new ATOM 0 HA THR A2567 3.684 2.713 5.487 1.00 0.00 H new ATOM 0 HB THR A2567 3.917 2.642 2.453 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.103 3.420 2.917 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.389 5.058 2.655 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.771 4.648 3.273 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.104 4.961 4.409 1.00 0.00 H new ATOM 72 N ARG A2568 1.262 3.076 5.118 1.00 0.00 N ATOM 73 CA ARG A2568 -0.159 3.270 4.983 1.00 0.00 C ATOM 74 C ARG A2568 -0.419 4.269 3.875 1.00 0.00 C ATOM 75 O ARG A2568 0.338 5.234 3.717 1.00 0.00 O ATOM 76 CB ARG A2568 -0.760 3.777 6.291 1.00 0.00 C ATOM 77 CG ARG A2568 -0.612 2.829 7.472 1.00 0.00 C ATOM 78 CD ARG A2568 -1.308 1.511 7.215 1.00 0.00 C ATOM 79 NE ARG A2568 -1.267 0.626 8.384 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.328 -0.038 8.880 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.536 0.156 8.374 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.177 -0.865 9.908 1.00 0.00 N ATOM 0 H ARG A2568 1.676 3.550 5.921 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.627 2.316 4.739 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.291 4.728 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.820 3.976 6.134 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.446 2.651 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.028 3.293 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.346 1.698 6.939 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.837 1.013 6.367 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.370 0.505 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.667 0.812 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.336 -0.350 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.255 -0.999 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.983 -1.367 10.282 1.00 0.00 H new ATOM 96 N ILE A2569 -1.451 4.043 3.113 1.00 0.00 N ATOM 97 CA ILE A2569 -1.788 4.900 2.019 1.00 0.00 C ATOM 98 C ILE A2569 -3.146 5.536 2.306 1.00 0.00 C ATOM 99 O ILE A2569 -4.185 4.884 2.188 1.00 0.00 O ATOM 100 CB ILE A2569 -1.888 4.103 0.692 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.637 3.228 0.472 1.00 0.00 C ATOM 102 CG2 ILE A2569 -2.068 5.064 -0.490 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.634 3.992 0.162 1.00 0.00 C ATOM 0 H ILE A2569 -2.084 3.253 3.236 1.00 0.00 H new ATOM 0 HA ILE A2569 -1.009 5.655 1.913 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.756 3.447 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.472 2.626 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.836 2.536 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.137 4.493 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.981 5.643 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.214 5.739 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.456 3.290 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.496 4.573 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.865 4.664 0.989 1.00 0.00 H new ATOM 115 N PRO A2570 -3.142 6.778 2.777 1.00 0.00 N ATOM 116 CA PRO A2570 -4.359 7.544 3.010 1.00 0.00 C ATOM 117 C PRO A2570 -5.129 7.809 1.709 1.00 0.00 C ATOM 118 O PRO A2570 -4.696 8.598 0.845 1.00 0.00 O ATOM 119 CB PRO A2570 -3.866 8.851 3.639 1.00 0.00 C ATOM 120 CG PRO A2570 -2.480 8.567 4.090 1.00 0.00 C ATOM 121 CD PRO A2570 -1.953 7.501 3.180 1.00 0.00 C ATOM 0 HA PRO A2570 -5.061 7.009 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -3.886 9.667 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -4.499 9.149 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.862 9.464 4.037 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -2.469 8.233 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.433 7.927 2.322 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.243 6.851 3.692 1.00 0.00 H new ATOM 129 N VAL A2571 -6.243 7.133 1.564 1.00 0.00 N ATOM 130 CA VAL A2571 -7.072 7.211 0.379 1.00 0.00 C ATOM 131 C VAL A2571 -8.519 7.474 0.759 1.00 0.00 C ATOM 132 O VAL A2571 -8.886 7.386 1.935 1.00 0.00 O ATOM 133 CB VAL A2571 -7.004 5.906 -0.474 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.623 5.695 -1.053 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.394 4.693 0.351 1.00 0.00 C ATOM 0 H VAL A2571 -6.608 6.501 2.277 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.685 8.035 -0.221 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.713 6.025 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.611 4.777 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.364 6.539 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.897 5.616 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.338 3.798 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.712 4.593 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.413 4.816 0.719 1.00 0.00 H new ATOM 145 N ILE A2572 -9.320 7.800 -0.216 1.00 0.00 N ATOM 146 CA ILE A2572 -10.720 8.037 -0.021 1.00 0.00 C ATOM 147 C ILE A2572 -11.519 7.430 -1.182 1.00 0.00 C ATOM 148 O ILE A2572 -11.049 7.382 -2.310 1.00 0.00 O ATOM 149 CB ILE A2572 -11.044 9.570 0.154 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.568 9.794 0.341 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.504 10.388 -1.021 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.981 11.228 0.604 1.00 0.00 C ATOM 0 H ILE A2572 -9.013 7.910 -1.182 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.018 7.549 0.907 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.540 9.919 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.083 9.442 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.911 9.176 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.743 11.441 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.423 10.267 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.961 10.040 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -14.064 11.279 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.501 11.584 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.676 11.854 -0.234 1.00 0.00 H new ATOM 164 N ASN A2573 -12.676 6.921 -0.874 1.00 0.00 N ATOM 165 CA ASN A2573 -13.581 6.372 -1.846 1.00 0.00 C ATOM 166 C ASN A2573 -14.632 7.406 -2.112 1.00 0.00 C ATOM 167 O ASN A2573 -15.480 7.658 -1.256 1.00 0.00 O ATOM 168 CB ASN A2573 -14.237 5.112 -1.319 1.00 0.00 C ATOM 169 CG ASN A2573 -15.023 4.401 -2.393 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.742 4.535 -3.561 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.976 3.607 -2.008 1.00 0.00 N ATOM 0 H ASN A2573 -13.027 6.874 0.083 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.039 6.114 -2.756 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.473 4.442 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.899 5.365 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.509 3.077 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.192 3.513 -1.016 1.00 0.00 H new ATOM 178 N LEU A2574 -14.604 7.976 -3.285 1.00 0.00 N ATOM 179 CA LEU A2574 -15.436 9.132 -3.609 1.00 0.00 C ATOM 180 C LEU A2574 -16.917 8.807 -3.655 1.00 0.00 C ATOM 181 O LEU A2574 -17.746 9.647 -3.305 1.00 0.00 O ATOM 182 CB LEU A2574 -15.007 9.793 -4.922 1.00 0.00 C ATOM 183 CG LEU A2574 -13.573 10.331 -5.004 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.379 11.080 -6.308 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.251 11.230 -3.820 1.00 0.00 C ATOM 0 H LEU A2574 -14.009 7.663 -4.052 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.281 9.836 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.141 9.067 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.689 10.619 -5.122 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.887 9.485 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.359 11.460 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.559 10.406 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.080 11.914 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.228 11.595 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.938 12.076 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.356 10.664 -2.894 1.00 0.00 H new ATOM 197 N GLU A2575 -17.245 7.583 -4.036 1.00 0.00 N ATOM 198 CA GLU A2575 -18.643 7.178 -4.173 1.00 0.00 C ATOM 199 C GLU A2575 -19.379 7.235 -2.821 1.00 0.00 C ATOM 200 O GLU A2575 -20.549 7.620 -2.749 1.00 0.00 O ATOM 201 CB GLU A2575 -18.754 5.768 -4.773 1.00 0.00 C ATOM 202 CG GLU A2575 -18.234 4.676 -3.871 1.00 0.00 C ATOM 203 CD GLU A2575 -18.358 3.297 -4.429 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.471 2.873 -4.756 1.00 0.00 O ATOM 205 OE2 GLU A2575 -17.342 2.585 -4.489 1.00 0.00 O ATOM 0 H GLU A2575 -16.569 6.852 -4.256 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.119 7.885 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -19.799 5.565 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -18.205 5.740 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.184 4.872 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.770 4.720 -2.923 1.00 0.00 H new ATOM 212 N ASP A2576 -18.680 6.881 -1.763 1.00 0.00 N ATOM 213 CA ASP A2576 -19.299 6.823 -0.439 1.00 0.00 C ATOM 214 C ASP A2576 -18.833 7.957 0.448 1.00 0.00 C ATOM 215 O ASP A2576 -19.571 8.433 1.314 1.00 0.00 O ATOM 216 CB ASP A2576 -19.014 5.488 0.240 1.00 0.00 C ATOM 217 CG ASP A2576 -19.768 5.334 1.548 1.00 0.00 C ATOM 218 OD1 ASP A2576 -20.976 5.014 1.499 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.173 5.514 2.637 1.00 0.00 O ATOM 0 H ASP A2576 -17.692 6.630 -1.784 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.374 6.924 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -19.288 4.675 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.944 5.400 0.428 1.00 0.00 H new ATOM 224 N GLY A2577 -17.617 8.391 0.228 1.00 0.00 N ATOM 225 CA GLY A2577 -17.042 9.436 1.031 1.00 0.00 C ATOM 226 C GLY A2577 -16.137 8.871 2.103 1.00 0.00 C ATOM 227 O GLY A2577 -15.644 9.609 2.962 1.00 0.00 O ATOM 0 H GLY A2577 -17.005 8.033 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.475 10.116 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.837 10.021 1.494 1.00 0.00 H new ATOM 231 N THR A2578 -15.910 7.567 2.042 1.00 0.00 N ATOM 232 CA THR A2578 -15.117 6.872 2.972 1.00 0.00 C ATOM 233 C THR A2578 -13.663 7.333 2.860 1.00 0.00 C ATOM 234 O THR A2578 -13.113 7.281 1.793 1.00 0.00 O ATOM 235 CB THR A2578 -15.167 5.420 2.583 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.526 5.000 2.369 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.555 4.619 3.640 1.00 0.00 C ATOM 0 H THR A2578 -16.297 6.970 1.311 1.00 0.00 H new ATOM 0 HA THR A2578 -15.478 7.045 3.986 1.00 0.00 H new ATOM 0 HB THR A2578 -14.617 5.280 1.652 1.00 0.00 H new ATOM 0 HG1 THR A2578 -17.134 5.604 2.845 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.588 3.565 3.364 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.518 4.926 3.775 1.00 0.00 H new ATOM 0 HG23 THR A2578 -15.101 4.767 4.571 1.00 0.00 H new ATOM 245 N ARG A2579 -13.026 7.686 3.944 1.00 0.00 N ATOM 246 CA ARG A2579 -11.698 8.215 3.857 1.00 0.00 C ATOM 247 C ARG A2579 -10.890 7.604 4.924 1.00 0.00 C ATOM 248 O ARG A2579 -11.266 7.617 6.095 1.00 0.00 O ATOM 249 CB ARG A2579 -11.636 9.752 3.898 1.00 0.00 C ATOM 250 CG ARG A2579 -10.215 10.264 3.696 1.00 0.00 C ATOM 251 CD ARG A2579 -10.132 11.748 3.395 1.00 0.00 C ATOM 252 NE ARG A2579 -10.553 12.596 4.505 1.00 0.00 N ATOM 253 CZ ARG A2579 -10.208 13.890 4.642 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.339 14.457 3.787 1.00 0.00 N ATOM 255 NH2 ARG A2579 -10.700 14.600 5.652 1.00 0.00 N ATOM 0 H ARG A2579 -13.404 7.617 4.889 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.291 7.957 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.284 10.163 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.018 10.106 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.632 10.052 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.753 9.711 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -9.106 11.998 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.751 11.969 2.526 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.147 12.182 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.937 13.906 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.082 15.438 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.336 14.164 6.320 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -10.441 15.581 5.760 1.00 0.00 H new ATOM 269 N LEU A2580 -9.821 7.035 4.531 1.00 0.00 N ATOM 270 CA LEU A2580 -9.031 6.269 5.401 1.00 0.00 C ATOM 271 C LEU A2580 -7.645 6.832 5.385 1.00 0.00 C ATOM 272 O LEU A2580 -6.910 6.655 4.414 1.00 0.00 O ATOM 273 CB LEU A2580 -9.027 4.794 4.941 1.00 0.00 C ATOM 274 CG LEU A2580 -10.405 4.098 4.715 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.376 4.295 5.866 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.017 4.440 3.357 1.00 0.00 C ATOM 0 H LEU A2580 -9.464 7.090 3.577 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.430 6.304 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.466 4.736 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.476 4.214 5.681 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.196 3.028 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.313 3.785 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.947 3.882 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.566 5.359 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.975 3.930 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.170 5.517 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.344 4.117 2.563 1.00 0.00 H new ATOM 288 N VAL A2581 -7.314 7.567 6.407 1.00 0.00 N ATOM 289 CA VAL A2581 -6.022 8.181 6.508 1.00 0.00 C ATOM 290 C VAL A2581 -5.390 7.774 7.832 1.00 0.00 C ATOM 291 O VAL A2581 -6.098 7.330 8.749 1.00 0.00 O ATOM 292 CB VAL A2581 -6.086 9.752 6.378 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.807 10.189 5.100 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.721 10.405 7.591 1.00 0.00 C ATOM 0 H VAL A2581 -7.933 7.758 7.195 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.411 7.832 5.676 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.052 10.093 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.829 11.278 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.279 9.796 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.827 9.805 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.742 11.486 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.739 10.035 7.712 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.139 10.164 8.481 1.00 0.00 H new ATOM 304 N GLY A2582 -4.083 7.870 7.918 1.00 0.00 N ATOM 305 CA GLY A2582 -3.394 7.529 9.136 1.00 0.00 C ATOM 306 C GLY A2582 -3.422 6.047 9.406 1.00 0.00 C ATOM 307 O GLY A2582 -2.993 5.248 8.580 1.00 0.00 O ATOM 0 H GLY A2582 -3.478 8.181 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.359 7.866 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.852 8.058 9.972 1.00 0.00 H new ATOM 311 N GLU A2583 -3.995 5.687 10.520 1.00 0.00 N ATOM 312 CA GLU A2583 -4.069 4.312 10.951 1.00 0.00 C ATOM 313 C GLU A2583 -5.248 3.594 10.314 1.00 0.00 C ATOM 314 O GLU A2583 -5.297 2.367 10.280 1.00 0.00 O ATOM 315 CB GLU A2583 -4.102 4.186 12.490 1.00 0.00 C ATOM 316 CG GLU A2583 -5.244 4.917 13.206 1.00 0.00 C ATOM 317 CD GLU A2583 -5.122 6.418 13.176 1.00 0.00 C ATOM 318 OE1 GLU A2583 -5.609 7.049 12.222 1.00 0.00 O ATOM 319 OE2 GLU A2583 -4.505 7.001 14.099 1.00 0.00 O ATOM 0 H GLU A2583 -4.431 6.346 11.165 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.156 3.823 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.159 3.128 12.746 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.157 4.559 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -6.190 4.630 12.747 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -5.280 4.586 14.244 1.00 0.00 H new ATOM 326 N ASP A2584 -6.199 4.356 9.795 1.00 0.00 N ATOM 327 CA ASP A2584 -7.346 3.755 9.107 1.00 0.00 C ATOM 328 C ASP A2584 -7.021 3.500 7.669 1.00 0.00 C ATOM 329 O ASP A2584 -7.775 2.858 6.968 1.00 0.00 O ATOM 330 CB ASP A2584 -8.623 4.607 9.191 1.00 0.00 C ATOM 331 CG ASP A2584 -9.369 4.477 10.492 1.00 0.00 C ATOM 332 OD1 ASP A2584 -10.211 3.556 10.631 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.175 5.305 11.393 1.00 0.00 O ATOM 0 H ASP A2584 -6.207 5.375 9.832 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.546 2.816 9.624 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.358 5.654 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.288 4.326 8.374 1.00 0.00 H new ATOM 338 N ALA A2585 -5.898 4.007 7.235 1.00 0.00 N ATOM 339 CA ALA A2585 -5.472 3.872 5.868 1.00 0.00 C ATOM 340 C ALA A2585 -4.949 2.468 5.608 1.00 0.00 C ATOM 341 O ALA A2585 -4.265 1.900 6.456 1.00 0.00 O ATOM 342 CB ALA A2585 -4.401 4.890 5.578 1.00 0.00 C ATOM 0 H ALA A2585 -5.249 4.529 7.824 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.323 4.044 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.075 4.791 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.798 5.892 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.553 4.725 6.242 1.00 0.00 H new ATOM 348 N PRO A2586 -5.285 1.881 4.454 1.00 0.00 N ATOM 349 CA PRO A2586 -4.807 0.552 4.082 1.00 0.00 C ATOM 350 C PRO A2586 -3.295 0.549 3.850 1.00 0.00 C ATOM 351 O PRO A2586 -2.689 1.597 3.567 1.00 0.00 O ATOM 352 CB PRO A2586 -5.551 0.244 2.772 1.00 0.00 C ATOM 353 CG PRO A2586 -5.935 1.577 2.230 1.00 0.00 C ATOM 354 CD PRO A2586 -6.166 2.458 3.424 1.00 0.00 C ATOM 0 HA PRO A2586 -4.992 -0.186 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.914 -0.298 2.073 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.428 -0.377 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.148 1.981 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.834 1.505 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.909 3.496 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.210 2.445 3.736 1.00 0.00 H new ATOM 362 N LYS A2587 -2.684 -0.601 3.990 1.00 0.00 N ATOM 363 CA LYS A2587 -1.255 -0.732 3.791 1.00 0.00 C ATOM 364 C LYS A2587 -0.984 -0.821 2.307 1.00 0.00 C ATOM 365 O LYS A2587 -1.790 -1.393 1.574 1.00 0.00 O ATOM 366 CB LYS A2587 -0.747 -2.000 4.464 1.00 0.00 C ATOM 367 CG LYS A2587 -1.105 -2.119 5.929 1.00 0.00 C ATOM 368 CD LYS A2587 -0.704 -3.471 6.459 1.00 0.00 C ATOM 369 CE LYS A2587 -1.249 -3.710 7.854 1.00 0.00 C ATOM 370 NZ LYS A2587 -0.935 -5.073 8.346 1.00 0.00 N ATOM 0 H LYS A2587 -3.156 -1.469 4.243 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.746 0.129 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.148 -2.864 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.338 -2.040 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.604 -1.335 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.177 -1.973 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -1.069 -4.248 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A2587 0.383 -3.548 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.830 -2.972 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -2.329 -3.565 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -1.325 -5.195 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -1.356 -5.778 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 0.096 -5.203 8.374 1.00 0.00 H new ATOM 384 N ASN A2588 0.142 -0.292 1.878 1.00 0.00 N ATOM 385 CA ASN A2588 0.542 -0.278 0.459 1.00 0.00 C ATOM 386 C ASN A2588 0.566 -1.692 -0.151 1.00 0.00 C ATOM 387 O ASN A2588 0.311 -1.871 -1.338 1.00 0.00 O ATOM 388 CB ASN A2588 1.909 0.394 0.302 1.00 0.00 C ATOM 389 CG ASN A2588 2.342 0.577 -1.150 1.00 0.00 C ATOM 390 OD1 ASN A2588 1.524 0.752 -2.053 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.622 0.551 -1.378 1.00 0.00 N ATOM 0 H ASN A2588 0.822 0.148 2.498 1.00 0.00 H new ATOM 0 HA ASN A2588 -0.207 0.297 -0.086 1.00 0.00 H new ATOM 0 HB2 ASN A2588 1.882 1.369 0.789 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.658 -0.202 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A2588 3.974 0.678 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.274 0.404 -0.608 1.00 0.00 H new ATOM 398 N LYS A2589 0.851 -2.691 0.670 1.00 0.00 N ATOM 399 CA LYS A2589 0.834 -4.084 0.218 1.00 0.00 C ATOM 400 C LYS A2589 -0.569 -4.535 -0.185 1.00 0.00 C ATOM 401 O LYS A2589 -0.746 -5.257 -1.157 1.00 0.00 O ATOM 402 CB LYS A2589 1.407 -5.031 1.284 1.00 0.00 C ATOM 403 CG LYS A2589 0.800 -4.874 2.681 1.00 0.00 C ATOM 404 CD LYS A2589 1.358 -5.902 3.649 1.00 0.00 C ATOM 405 CE LYS A2589 0.779 -7.290 3.400 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.627 -7.400 3.858 1.00 0.00 N ATOM 0 H LYS A2589 1.097 -2.569 1.652 1.00 0.00 H new ATOM 0 HA LYS A2589 1.472 -4.131 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.259 -6.059 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.483 -4.870 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A2589 1.003 -3.871 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.283 -4.979 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.443 -5.939 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.138 -5.595 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.832 -7.518 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.387 -8.033 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.170 -7.970 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.653 -7.856 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.046 -6.450 3.925 1.00 0.00 H new ATOM 420 N ASP A2590 -1.560 -4.080 0.544 1.00 0.00 N ATOM 421 CA ASP A2590 -2.939 -4.494 0.298 1.00 0.00 C ATOM 422 C ASP A2590 -3.667 -3.438 -0.487 1.00 0.00 C ATOM 423 O ASP A2590 -4.861 -3.577 -0.773 1.00 0.00 O ATOM 424 CB ASP A2590 -3.686 -4.747 1.609 1.00 0.00 C ATOM 425 CG ASP A2590 -3.000 -5.745 2.493 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.928 -6.928 2.148 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.470 -5.353 3.548 1.00 0.00 O ATOM 0 H ASP A2590 -1.447 -3.422 1.315 1.00 0.00 H new ATOM 0 HA ASP A2590 -2.907 -5.423 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.792 -3.805 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.692 -5.100 1.385 1.00 0.00 H new ATOM 432 N LEU A2591 -2.942 -2.388 -0.848 1.00 0.00 N ATOM 433 CA LEU A2591 -3.489 -1.268 -1.592 1.00 0.00 C ATOM 434 C LEU A2591 -4.063 -1.757 -2.900 1.00 0.00 C ATOM 435 O LEU A2591 -5.173 -1.423 -3.244 1.00 0.00 O ATOM 436 CB LEU A2591 -2.409 -0.216 -1.855 1.00 0.00 C ATOM 437 CG LEU A2591 -2.856 1.059 -2.566 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.788 1.882 -1.691 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.659 1.873 -3.023 1.00 0.00 C ATOM 0 H LEU A2591 -1.950 -2.291 -0.630 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.280 -0.808 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.966 0.064 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.620 -0.678 -2.448 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.418 0.768 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -4.088 2.783 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.672 1.293 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.273 2.161 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -2.004 2.776 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -1.055 2.148 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -1.058 1.280 -3.712 1.00 0.00 H new ATOM 451 N VAL A2592 -3.317 -2.609 -3.580 1.00 0.00 N ATOM 452 CA VAL A2592 -3.738 -3.168 -4.857 1.00 0.00 C ATOM 453 C VAL A2592 -5.081 -3.913 -4.736 1.00 0.00 C ATOM 454 O VAL A2592 -5.946 -3.777 -5.581 1.00 0.00 O ATOM 455 CB VAL A2592 -2.649 -4.091 -5.475 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.413 -3.286 -5.838 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.271 -5.215 -4.517 1.00 0.00 C ATOM 0 H VAL A2592 -2.403 -2.934 -3.265 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.881 -2.326 -5.535 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.065 -4.535 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.662 -3.948 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.679 -2.518 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.010 -2.814 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.508 -5.843 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.882 -4.789 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.153 -5.817 -4.297 1.00 0.00 H new ATOM 467 N GLU A2593 -5.259 -4.623 -3.633 1.00 0.00 N ATOM 468 CA GLU A2593 -6.461 -5.383 -3.363 1.00 0.00 C ATOM 469 C GLU A2593 -7.633 -4.448 -3.138 1.00 0.00 C ATOM 470 O GLU A2593 -8.742 -4.664 -3.649 1.00 0.00 O ATOM 471 CB GLU A2593 -6.254 -6.228 -2.116 1.00 0.00 C ATOM 472 CG GLU A2593 -5.095 -7.197 -2.203 1.00 0.00 C ATOM 473 CD GLU A2593 -5.166 -8.068 -3.429 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.024 -8.970 -3.496 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.353 -7.872 -4.339 1.00 0.00 O ATOM 0 H GLU A2593 -4.561 -4.686 -2.892 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.673 -6.024 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.095 -5.565 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.167 -6.789 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.158 -6.639 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.084 -7.827 -1.313 1.00 0.00 H new ATOM 482 N TRP A2594 -7.369 -3.413 -2.379 1.00 0.00 N ATOM 483 CA TRP A2594 -8.350 -2.403 -2.053 1.00 0.00 C ATOM 484 C TRP A2594 -8.762 -1.673 -3.344 1.00 0.00 C ATOM 485 O TRP A2594 -9.932 -1.404 -3.580 1.00 0.00 O ATOM 486 CB TRP A2594 -7.743 -1.424 -1.033 1.00 0.00 C ATOM 487 CG TRP A2594 -8.751 -0.615 -0.288 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.408 -1.000 0.840 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.217 0.705 -0.592 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.262 -0.017 1.246 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.168 1.039 0.389 1.00 0.00 C ATOM 492 CE3 TRP A2594 -8.937 1.633 -1.597 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.833 2.253 0.399 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.602 2.837 -1.581 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.543 3.138 -0.591 1.00 0.00 C ATOM 0 H TRP A2594 -6.453 -3.245 -1.963 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.237 -2.856 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.145 -1.987 -0.317 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.064 -0.748 -1.554 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.273 -1.947 1.341 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.874 -0.064 2.061 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.215 1.411 -2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.556 2.488 1.166 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.393 3.566 -2.350 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.049 4.092 -0.614 1.00 0.00 H new ATOM 506 N LEU A2595 -7.785 -1.422 -4.194 1.00 0.00 N ATOM 507 CA LEU A2595 -7.983 -0.779 -5.498 1.00 0.00 C ATOM 508 C LEU A2595 -8.836 -1.624 -6.419 1.00 0.00 C ATOM 509 O LEU A2595 -9.589 -1.097 -7.231 1.00 0.00 O ATOM 510 CB LEU A2595 -6.637 -0.482 -6.153 1.00 0.00 C ATOM 511 CG LEU A2595 -5.993 0.881 -5.862 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.138 1.280 -4.405 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.528 0.833 -6.240 1.00 0.00 C ATOM 0 H LEU A2595 -6.812 -1.660 -4.003 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.512 0.158 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.935 -1.258 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.761 -0.572 -7.232 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.511 1.632 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.668 2.250 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.196 1.342 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.655 0.534 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.067 1.799 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.027 0.061 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.433 0.604 -7.302 1.00 0.00 H new ATOM 525 N LYS A2596 -8.705 -2.927 -6.311 1.00 0.00 N ATOM 526 CA LYS A2596 -9.529 -3.851 -7.091 1.00 0.00 C ATOM 527 C LYS A2596 -10.994 -3.701 -6.712 1.00 0.00 C ATOM 528 O LYS A2596 -11.884 -3.851 -7.551 1.00 0.00 O ATOM 529 CB LYS A2596 -9.101 -5.308 -6.872 1.00 0.00 C ATOM 530 CG LYS A2596 -7.677 -5.606 -7.271 1.00 0.00 C ATOM 531 CD LYS A2596 -7.321 -7.060 -7.027 1.00 0.00 C ATOM 532 CE LYS A2596 -5.855 -7.334 -7.323 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.489 -7.048 -8.727 1.00 0.00 N ATOM 0 H LYS A2596 -8.035 -3.382 -5.690 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.391 -3.601 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.230 -5.557 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.768 -5.959 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.537 -5.369 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.999 -4.965 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.538 -7.320 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.945 -7.698 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.236 -6.728 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.633 -8.378 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.519 -7.378 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.147 -7.541 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.543 -6.024 -8.898 1.00 0.00 H new ATOM 547 N LEU A2597 -11.230 -3.380 -5.458 1.00 0.00 N ATOM 548 CA LEU A2597 -12.577 -3.246 -4.947 1.00 0.00 C ATOM 549 C LEU A2597 -13.096 -1.814 -5.071 1.00 0.00 C ATOM 550 O LEU A2597 -14.299 -1.591 -5.111 1.00 0.00 O ATOM 551 CB LEU A2597 -12.641 -3.711 -3.488 1.00 0.00 C ATOM 552 CG LEU A2597 -12.238 -5.171 -3.230 1.00 0.00 C ATOM 553 CD1 LEU A2597 -12.291 -5.488 -1.747 1.00 0.00 C ATOM 554 CD2 LEU A2597 -13.125 -6.134 -4.012 1.00 0.00 C ATOM 0 H LEU A2597 -10.499 -3.206 -4.768 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.222 -3.881 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.995 -3.066 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.658 -3.566 -3.125 1.00 0.00 H new ATOM 0 HG LEU A2597 -11.212 -5.299 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -12.002 -6.527 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.605 -4.833 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.305 -5.332 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.816 -7.159 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -14.163 -6.001 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -13.031 -5.931 -5.079 1.00 0.00 H new ATOM 566 N HIS A2598 -12.203 -0.843 -5.158 1.00 0.00 N ATOM 567 CA HIS A2598 -12.626 0.549 -5.219 1.00 0.00 C ATOM 568 C HIS A2598 -12.082 1.287 -6.439 1.00 0.00 C ATOM 569 O HIS A2598 -11.058 1.976 -6.361 1.00 0.00 O ATOM 570 CB HIS A2598 -12.281 1.332 -3.930 1.00 0.00 C ATOM 571 CG HIS A2598 -12.938 0.786 -2.685 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.182 1.175 -2.239 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.506 -0.146 -1.801 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.464 0.486 -1.131 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.475 -0.337 -0.817 1.00 0.00 N ATOM 0 H HIS A2598 -11.194 -0.987 -5.188 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.711 0.507 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.200 1.324 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.579 2.373 -4.059 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.558 -0.661 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.378 0.586 -0.565 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.431 -0.976 -0.023 1.00 0.00 H new ATOM 583 N PRO A2599 -12.741 1.145 -7.605 1.00 0.00 N ATOM 584 CA PRO A2599 -12.369 1.885 -8.823 1.00 0.00 C ATOM 585 C PRO A2599 -12.814 3.344 -8.718 1.00 0.00 C ATOM 586 O PRO A2599 -12.437 4.201 -9.518 1.00 0.00 O ATOM 587 CB PRO A2599 -13.146 1.159 -9.927 1.00 0.00 C ATOM 588 CG PRO A2599 -14.332 0.574 -9.237 1.00 0.00 C ATOM 589 CD PRO A2599 -13.880 0.230 -7.842 1.00 0.00 C ATOM 0 HA PRO A2599 -11.294 1.907 -9.002 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.447 1.847 -10.717 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.538 0.384 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -15.159 1.284 -9.214 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.688 -0.313 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.676 0.385 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.577 -0.814 -7.766 1.00 0.00 H new ATOM 597 N THR A2600 -13.589 3.589 -7.709 1.00 0.00 N ATOM 598 CA THR A2600 -14.171 4.845 -7.377 1.00 0.00 C ATOM 599 C THR A2600 -13.331 5.591 -6.337 1.00 0.00 C ATOM 600 O THR A2600 -13.798 6.566 -5.712 1.00 0.00 O ATOM 601 CB THR A2600 -15.514 4.505 -6.764 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.356 3.229 -6.087 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.584 4.378 -7.819 1.00 0.00 C ATOM 0 H THR A2600 -13.849 2.858 -7.047 1.00 0.00 H new ATOM 0 HA THR A2600 -14.244 5.485 -8.256 1.00 0.00 H new ATOM 0 HB THR A2600 -15.820 5.296 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.133 3.065 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.535 4.134 -7.345 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.678 5.321 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.313 3.587 -8.518 1.00 0.00 H new ATOM 611 N TYR A2601 -12.100 5.162 -6.142 1.00 0.00 N ATOM 612 CA TYR A2601 -11.304 5.766 -5.122 1.00 0.00 C ATOM 613 C TYR A2601 -10.487 6.946 -5.675 1.00 0.00 C ATOM 614 O TYR A2601 -10.518 7.243 -6.876 1.00 0.00 O ATOM 615 CB TYR A2601 -10.397 4.721 -4.444 1.00 0.00 C ATOM 616 CG TYR A2601 -9.008 4.575 -5.037 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.802 4.216 -6.364 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.904 4.818 -4.249 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.532 4.117 -6.882 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.640 4.716 -4.745 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.447 4.368 -6.069 1.00 0.00 C ATOM 622 OH TYR A2601 -5.166 4.277 -6.573 1.00 0.00 O ATOM 0 H TYR A2601 -11.648 4.415 -6.668 1.00 0.00 H new ATOM 0 HA TYR A2601 -11.977 6.166 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.297 4.982 -3.390 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.894 3.752 -4.487 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.652 4.012 -6.998 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.044 5.096 -3.215 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.386 3.845 -7.917 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.791 4.906 -4.106 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.521 4.487 -5.866 1.00 0.00 H new ATOM 632 N THR A2602 -9.822 7.622 -4.784 1.00 0.00 N ATOM 633 CA THR A2602 -8.908 8.695 -5.054 1.00 0.00 C ATOM 634 C THR A2602 -7.939 8.764 -3.866 1.00 0.00 C ATOM 635 O THR A2602 -8.340 8.504 -2.728 1.00 0.00 O ATOM 636 CB THR A2602 -9.688 10.028 -5.245 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.474 9.928 -6.437 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.772 11.234 -5.359 1.00 0.00 C ATOM 0 H THR A2602 -9.909 7.427 -3.787 1.00 0.00 H new ATOM 0 HA THR A2602 -8.352 8.526 -5.976 1.00 0.00 H new ATOM 0 HB THR A2602 -10.311 10.177 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.439 9.009 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.371 12.135 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.175 11.325 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.111 11.109 -6.217 1.00 0.00 H new ATOM 646 N VAL A2603 -6.679 9.017 -4.120 1.00 0.00 N ATOM 647 CA VAL A2603 -5.697 9.046 -3.051 1.00 0.00 C ATOM 648 C VAL A2603 -5.738 10.414 -2.361 1.00 0.00 C ATOM 649 O VAL A2603 -5.669 11.450 -3.026 1.00 0.00 O ATOM 650 CB VAL A2603 -4.266 8.746 -3.576 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.290 8.560 -2.430 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.258 7.524 -4.484 1.00 0.00 C ATOM 0 H VAL A2603 -6.305 9.206 -5.050 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.948 8.265 -2.333 1.00 0.00 H new ATOM 0 HB VAL A2603 -3.945 9.608 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.297 8.351 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.257 9.469 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.614 7.726 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.243 7.339 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.614 6.656 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.912 7.701 -5.338 1.00 0.00 H new ATOM 662 N ASP A2604 -5.847 10.411 -1.044 1.00 0.00 N ATOM 663 CA ASP A2604 -5.972 11.651 -0.273 1.00 0.00 C ATOM 664 C ASP A2604 -4.599 12.239 0.032 1.00 0.00 C ATOM 665 O ASP A2604 -4.427 13.458 0.060 1.00 0.00 O ATOM 666 CB ASP A2604 -6.768 11.412 1.026 1.00 0.00 C ATOM 667 CG ASP A2604 -6.904 12.660 1.890 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.843 13.475 1.664 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.097 12.840 2.817 1.00 0.00 O ATOM 0 H ASP A2604 -5.852 9.563 -0.477 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.522 12.372 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.762 11.045 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.278 10.630 1.605 1.00 0.00 H new