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= -1.08 K(o=-0.0071,f=-2.6!) USER MOD Set 1.2: A2578 THR OG1 : rot 180:sc= -0.308 USER MOD Set 1.3: A2598 HIS : no HD1:sc=-0.00644 K(o=-0.0071,f=-1.2) USER MOD Set 1.4: A2600 THR OG1 : rot -153:sc= 1.38 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ -128:sc= 0.169 (180deg=-0.0999) USER MOD Single : A2588 ASN :FLIP amide:sc= -0.41 F(o=-1.5!,f=-0.41) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2601 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A2602 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.723 -1.804 2.531 1.00 0.00 N ATOM 33 CA PRO A2565 4.434 -2.494 2.368 1.00 0.00 C ATOM 34 C PRO A2565 3.503 -2.252 3.574 1.00 0.00 C ATOM 35 O PRO A2565 2.273 -2.268 3.451 1.00 0.00 O ATOM 36 CB PRO A2565 4.837 -3.969 2.295 1.00 0.00 C ATOM 37 CG PRO A2565 6.227 -3.963 1.774 1.00 0.00 C ATOM 38 CD PRO A2565 6.867 -2.709 2.293 1.00 0.00 C ATOM 0 HA PRO A2565 3.881 -2.145 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.785 -4.441 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.171 -4.528 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.772 -4.845 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.234 -3.980 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.428 -2.895 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.567 -2.288 1.571 1.00 0.00 H new ATOM 46 N ASP A2566 4.108 -2.000 4.726 1.00 0.00 N ATOM 47 CA ASP A2566 3.375 -1.721 5.955 1.00 0.00 C ATOM 48 C ASP A2566 3.147 -0.227 6.168 1.00 0.00 C ATOM 49 O ASP A2566 2.585 0.178 7.183 1.00 0.00 O ATOM 50 CB ASP A2566 4.073 -2.316 7.172 1.00 0.00 C ATOM 51 CG ASP A2566 3.985 -3.821 7.237 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.964 -4.340 7.694 1.00 0.00 O ATOM 53 OD2 ASP A2566 4.960 -4.516 6.845 1.00 0.00 O ATOM 0 H ASP A2566 5.122 -1.983 4.836 1.00 0.00 H new ATOM 0 HA ASP A2566 2.401 -2.197 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.122 -2.021 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A2566 3.633 -1.894 8.076 1.00 0.00 H new ATOM 58 N THR A2567 3.595 0.597 5.238 1.00 0.00 N ATOM 59 CA THR A2567 3.324 2.015 5.305 1.00 0.00 C ATOM 60 C THR A2567 1.885 2.230 4.831 1.00 0.00 C ATOM 61 O THR A2567 1.414 1.530 3.915 1.00 0.00 O ATOM 62 CB THR A2567 4.317 2.832 4.420 1.00 0.00 C ATOM 63 OG1 THR A2567 5.675 2.576 4.836 1.00 0.00 O ATOM 64 CG2 THR A2567 4.048 4.330 4.514 1.00 0.00 C ATOM 0 H THR A2567 4.146 0.306 4.431 1.00 0.00 H new ATOM 0 HA THR A2567 3.453 2.367 6.329 1.00 0.00 H new ATOM 0 HB THR A2567 4.172 2.515 3.387 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.292 3.091 4.275 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.758 4.867 3.885 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.033 4.539 4.176 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.160 4.656 5.548 1.00 0.00 H new ATOM 72 N ARG A2568 1.188 3.131 5.468 1.00 0.00 N ATOM 73 CA ARG A2568 -0.193 3.381 5.152 1.00 0.00 C ATOM 74 C ARG A2568 -0.318 4.309 3.965 1.00 0.00 C ATOM 75 O ARG A2568 0.510 5.202 3.766 1.00 0.00 O ATOM 76 CB ARG A2568 -0.906 3.978 6.355 1.00 0.00 C ATOM 77 CG ARG A2568 -0.915 3.094 7.585 1.00 0.00 C ATOM 78 CD ARG A2568 -1.692 1.824 7.337 1.00 0.00 C ATOM 79 NE ARG A2568 -1.746 0.973 8.525 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.668 0.040 8.754 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.762 -0.015 8.004 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.531 -0.788 9.781 1.00 0.00 N ATOM 0 H ARG A2568 1.560 3.712 6.219 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.659 2.430 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.432 4.926 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.936 4.201 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.109 2.848 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.355 3.635 8.422 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.706 2.075 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.233 1.272 6.517 1.00 0.00 H new ATOM 0 HE ARG A2568 -1.022 1.104 9.232 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.898 0.658 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.467 -0.731 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.720 -0.710 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -3.237 -1.503 9.957 1.00 0.00 H new ATOM 96 N ILE A2569 -1.331 4.078 3.173 1.00 0.00 N ATOM 97 CA ILE A2569 -1.593 4.891 2.014 1.00 0.00 C ATOM 98 C ILE A2569 -2.949 5.574 2.195 1.00 0.00 C ATOM 99 O ILE A2569 -3.989 4.931 2.045 1.00 0.00 O ATOM 100 CB ILE A2569 -1.644 4.027 0.726 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.380 3.152 0.600 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.801 4.925 -0.510 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.896 3.914 0.313 1.00 0.00 C ATOM 0 H ILE A2569 -1.999 3.320 3.313 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.792 5.623 1.913 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.508 3.366 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.251 2.591 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.538 2.424 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.835 4.307 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.725 5.498 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.954 5.609 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.729 3.215 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.794 4.454 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.085 4.623 1.119 1.00 0.00 H new ATOM 115 N PRO A2570 -2.966 6.862 2.582 1.00 0.00 N ATOM 116 CA PRO A2570 -4.211 7.592 2.767 1.00 0.00 C ATOM 117 C PRO A2570 -4.966 7.778 1.447 1.00 0.00 C ATOM 118 O PRO A2570 -4.478 8.431 0.498 1.00 0.00 O ATOM 119 CB PRO A2570 -3.781 8.937 3.369 1.00 0.00 C ATOM 120 CG PRO A2570 -2.339 9.078 3.036 1.00 0.00 C ATOM 121 CD PRO A2570 -1.785 7.686 2.885 1.00 0.00 C ATOM 0 HA PRO A2570 -4.907 7.056 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.363 9.758 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.938 8.952 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.209 9.647 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.813 9.620 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.047 7.635 2.084 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.289 7.353 3.797 1.00 0.00 H new ATOM 129 N VAL A2571 -6.132 7.187 1.380 1.00 0.00 N ATOM 130 CA VAL A2571 -6.977 7.221 0.205 1.00 0.00 C ATOM 131 C VAL A2571 -8.418 7.434 0.629 1.00 0.00 C ATOM 132 O VAL A2571 -8.758 7.276 1.810 1.00 0.00 O ATOM 133 CB VAL A2571 -6.881 5.911 -0.646 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.493 5.720 -1.240 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.262 4.694 0.178 1.00 0.00 C ATOM 0 H VAL A2571 -6.532 6.657 2.154 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.629 8.043 -0.420 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.589 6.017 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.470 4.799 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.254 6.565 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.759 5.659 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.186 3.799 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.588 4.606 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.286 4.803 0.535 1.00 0.00 H new ATOM 145 N ILE A2572 -9.253 7.794 -0.299 1.00 0.00 N ATOM 146 CA ILE A2572 -10.641 7.996 -0.001 1.00 0.00 C ATOM 147 C ILE A2572 -11.510 7.414 -1.113 1.00 0.00 C ATOM 148 O ILE A2572 -11.158 7.484 -2.298 1.00 0.00 O ATOM 149 CB ILE A2572 -10.976 9.514 0.247 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.468 9.704 0.629 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.596 10.374 -0.960 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.886 11.144 0.867 1.00 0.00 C ATOM 0 H ILE A2572 -8.997 7.955 -1.273 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.863 7.469 0.927 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.373 9.851 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.088 9.287 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.674 9.127 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.841 11.416 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.527 10.283 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -11.150 10.037 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.944 11.177 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.297 11.564 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.717 11.726 -0.039 1.00 0.00 H new ATOM 164 N ASN A2573 -12.591 6.793 -0.719 1.00 0.00 N ATOM 165 CA ASN A2573 -13.571 6.262 -1.629 1.00 0.00 C ATOM 166 C ASN A2573 -14.541 7.364 -1.927 1.00 0.00 C ATOM 167 O ASN A2573 -15.297 7.772 -1.056 1.00 0.00 O ATOM 168 CB ASN A2573 -14.323 5.117 -0.992 1.00 0.00 C ATOM 169 CG ASN A2573 -15.345 4.509 -1.920 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.180 4.512 -3.121 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.405 3.985 -1.369 1.00 0.00 N ATOM 0 H ASN A2573 -12.819 6.639 0.263 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.081 5.896 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.614 4.348 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.822 5.471 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -17.126 3.561 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.513 3.999 -0.355 1.00 0.00 H new ATOM 178 N LEU A2574 -14.546 7.811 -3.135 1.00 0.00 N ATOM 179 CA LEU A2574 -15.308 8.981 -3.522 1.00 0.00 C ATOM 180 C LEU A2574 -16.791 8.725 -3.638 1.00 0.00 C ATOM 181 O LEU A2574 -17.581 9.668 -3.591 1.00 0.00 O ATOM 182 CB LEU A2574 -14.777 9.582 -4.816 1.00 0.00 C ATOM 183 CG LEU A2574 -13.356 10.133 -4.768 1.00 0.00 C ATOM 184 CD1 LEU A2574 -12.939 10.603 -6.141 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.253 11.277 -3.763 1.00 0.00 C ATOM 0 H LEU A2574 -14.023 7.383 -3.899 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.175 9.697 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.823 8.818 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.447 10.387 -5.120 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.686 9.336 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -11.923 10.995 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -12.976 9.766 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.617 11.387 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.231 11.655 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.931 12.079 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.523 10.915 -2.771 1.00 0.00 H new ATOM 197 N GLU A2575 -17.188 7.480 -3.799 1.00 0.00 N ATOM 198 CA GLU A2575 -18.603 7.212 -3.902 1.00 0.00 C ATOM 199 C GLU A2575 -19.280 7.283 -2.540 1.00 0.00 C ATOM 200 O GLU A2575 -20.341 7.874 -2.400 1.00 0.00 O ATOM 201 CB GLU A2575 -18.919 5.888 -4.610 1.00 0.00 C ATOM 202 CG GLU A2575 -18.392 4.644 -3.937 1.00 0.00 C ATOM 203 CD GLU A2575 -18.926 3.400 -4.571 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.100 3.062 -4.320 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.192 2.743 -5.330 1.00 0.00 O ATOM 0 H GLU A2575 -16.576 6.666 -3.859 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.015 8.000 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -20.001 5.797 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -18.513 5.932 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.303 4.638 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.664 4.659 -2.881 1.00 0.00 H new ATOM 212 N ASP A2576 -18.653 6.708 -1.533 1.00 0.00 N ATOM 213 CA ASP A2576 -19.259 6.685 -0.200 1.00 0.00 C ATOM 214 C ASP A2576 -18.759 7.815 0.661 1.00 0.00 C ATOM 215 O ASP A2576 -19.425 8.227 1.608 1.00 0.00 O ATOM 216 CB ASP A2576 -19.024 5.356 0.535 1.00 0.00 C ATOM 217 CG ASP A2576 -19.656 4.154 -0.126 1.00 0.00 C ATOM 218 OD1 ASP A2576 -20.873 4.147 -0.341 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.930 3.196 -0.452 1.00 0.00 O ATOM 0 H ASP A2576 -17.741 6.256 -1.600 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.330 6.803 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.950 5.186 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -19.413 5.443 1.550 1.00 0.00 H new ATOM 224 N GLY A2577 -17.588 8.310 0.352 1.00 0.00 N ATOM 225 CA GLY A2577 -16.993 9.363 1.144 1.00 0.00 C ATOM 226 C GLY A2577 -16.126 8.789 2.246 1.00 0.00 C ATOM 227 O GLY A2577 -15.703 9.504 3.151 1.00 0.00 O ATOM 0 H GLY A2577 -17.025 8.003 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.393 10.010 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.777 9.983 1.579 1.00 0.00 H new ATOM 231 N THR A2578 -15.898 7.484 2.180 1.00 0.00 N ATOM 232 CA THR A2578 -15.093 6.771 3.090 1.00 0.00 C ATOM 233 C THR A2578 -13.651 7.248 3.004 1.00 0.00 C ATOM 234 O THR A2578 -12.977 6.990 2.008 1.00 0.00 O ATOM 235 CB THR A2578 -15.117 5.329 2.666 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.469 4.910 2.453 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.479 4.503 3.704 1.00 0.00 C ATOM 0 H THR A2578 -16.298 6.893 1.451 1.00 0.00 H new ATOM 0 HA THR A2578 -15.464 6.915 4.105 1.00 0.00 H new ATOM 0 HB THR A2578 -14.566 5.212 1.733 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.480 3.970 2.175 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.496 3.457 3.398 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.447 4.824 3.841 1.00 0.00 H new ATOM 0 HG23 THR A2578 -15.022 4.615 4.643 1.00 0.00 H new ATOM 245 N ARG A2579 -13.180 7.899 4.016 1.00 0.00 N ATOM 246 CA ARG A2579 -11.854 8.442 3.974 1.00 0.00 C ATOM 247 C ARG A2579 -10.992 7.723 4.944 1.00 0.00 C ATOM 248 O ARG A2579 -11.320 7.612 6.122 1.00 0.00 O ATOM 249 CB ARG A2579 -11.868 9.922 4.251 1.00 0.00 C ATOM 250 CG ARG A2579 -10.557 10.614 3.986 1.00 0.00 C ATOM 251 CD ARG A2579 -10.667 12.090 4.249 1.00 0.00 C ATOM 252 NE ARG A2579 -9.455 12.788 3.862 1.00 0.00 N ATOM 253 CZ ARG A2579 -8.898 13.813 4.498 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.453 14.318 5.601 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.771 14.321 4.027 1.00 0.00 N ATOM 0 H ARG A2579 -13.689 8.070 4.883 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.446 8.304 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.641 10.387 3.639 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.146 10.082 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.780 10.185 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.255 10.446 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.515 12.497 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.864 12.259 5.308 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.984 12.459 3.019 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.317 13.917 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.014 15.105 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.344 13.926 3.189 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.329 15.108 4.502 1.00 0.00 H new ATOM 269 N LEU A2580 -9.898 7.241 4.456 1.00 0.00 N ATOM 270 CA LEU A2580 -9.032 6.434 5.220 1.00 0.00 C ATOM 271 C LEU A2580 -7.660 7.041 5.237 1.00 0.00 C ATOM 272 O LEU A2580 -6.913 6.962 4.256 1.00 0.00 O ATOM 273 CB LEU A2580 -9.018 5.055 4.600 1.00 0.00 C ATOM 274 CG LEU A2580 -10.400 4.434 4.427 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.329 3.183 3.617 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.052 4.177 5.770 1.00 0.00 C ATOM 0 H LEU A2580 -9.583 7.404 3.500 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.371 6.362 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.533 5.112 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.411 4.396 5.220 1.00 0.00 H new ATOM 0 HG LEU A2580 -11.021 5.147 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.329 2.762 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.923 3.410 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.683 2.462 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.036 3.734 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.432 3.494 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.157 5.118 6.309 1.00 0.00 H new ATOM 288 N VAL A2581 -7.362 7.705 6.316 1.00 0.00 N ATOM 289 CA VAL A2581 -6.085 8.335 6.513 1.00 0.00 C ATOM 290 C VAL A2581 -5.505 7.844 7.833 1.00 0.00 C ATOM 291 O VAL A2581 -6.258 7.452 8.732 1.00 0.00 O ATOM 292 CB VAL A2581 -6.192 9.898 6.495 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.657 10.395 5.126 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.144 10.399 7.571 1.00 0.00 C ATOM 0 H VAL A2581 -8.008 7.827 7.096 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.425 8.063 5.689 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.197 10.294 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.724 11.483 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.943 10.083 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.636 9.974 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.196 11.487 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.137 9.982 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.782 10.088 8.551 1.00 0.00 H new ATOM 304 N GLY A2582 -4.198 7.813 7.938 1.00 0.00 N ATOM 305 CA GLY A2582 -3.576 7.315 9.142 1.00 0.00 C ATOM 306 C GLY A2582 -3.622 5.804 9.176 1.00 0.00 C ATOM 307 O GLY A2582 -3.412 5.162 8.159 1.00 0.00 O ATOM 0 H GLY A2582 -3.550 8.123 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.541 7.654 9.191 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -4.086 7.720 10.016 1.00 0.00 H new ATOM 311 N GLU A2583 -3.955 5.244 10.315 1.00 0.00 N ATOM 312 CA GLU A2583 -4.043 3.788 10.476 1.00 0.00 C ATOM 313 C GLU A2583 -5.309 3.262 9.854 1.00 0.00 C ATOM 314 O GLU A2583 -5.470 2.060 9.636 1.00 0.00 O ATOM 315 CB GLU A2583 -3.967 3.406 11.936 1.00 0.00 C ATOM 316 CG GLU A2583 -2.647 3.770 12.555 1.00 0.00 C ATOM 317 CD GLU A2583 -1.493 3.004 11.948 1.00 0.00 C ATOM 318 OE1 GLU A2583 -0.999 3.387 10.872 1.00 0.00 O ATOM 319 OE2 GLU A2583 -1.062 1.992 12.541 1.00 0.00 O ATOM 0 H GLU A2583 -4.174 5.771 11.161 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.195 3.336 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.770 3.902 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.129 2.333 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.474 4.839 12.432 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.685 3.574 13.627 1.00 0.00 H new ATOM 326 N ASP A2584 -6.222 4.166 9.620 1.00 0.00 N ATOM 327 CA ASP A2584 -7.474 3.859 8.931 1.00 0.00 C ATOM 328 C ASP A2584 -7.204 3.578 7.465 1.00 0.00 C ATOM 329 O ASP A2584 -7.990 2.921 6.790 1.00 0.00 O ATOM 330 CB ASP A2584 -8.473 5.019 9.044 1.00 0.00 C ATOM 331 CG ASP A2584 -9.002 5.234 10.438 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.361 5.966 11.232 1.00 0.00 O ATOM 333 OD2 ASP A2584 -10.077 4.680 10.765 1.00 0.00 O ATOM 0 H ASP A2584 -6.130 5.143 9.898 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.907 2.979 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.991 5.935 8.703 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.311 4.831 8.373 1.00 0.00 H new ATOM 338 N ALA A2585 -6.084 4.071 6.986 1.00 0.00 N ATOM 339 CA ALA A2585 -5.690 3.909 5.608 1.00 0.00 C ATOM 340 C ALA A2585 -5.182 2.498 5.373 1.00 0.00 C ATOM 341 O ALA A2585 -4.605 1.888 6.275 1.00 0.00 O ATOM 342 CB ALA A2585 -4.612 4.914 5.275 1.00 0.00 C ATOM 0 H ALA A2585 -5.417 4.600 7.548 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.552 4.078 4.963 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.312 4.794 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.995 5.923 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.750 4.751 5.922 1.00 0.00 H new ATOM 348 N PRO A2586 -5.413 1.936 4.189 1.00 0.00 N ATOM 349 CA PRO A2586 -4.918 0.612 3.857 1.00 0.00 C ATOM 350 C PRO A2586 -3.388 0.595 3.777 1.00 0.00 C ATOM 351 O PRO A2586 -2.744 1.629 3.508 1.00 0.00 O ATOM 352 CB PRO A2586 -5.534 0.320 2.481 1.00 0.00 C ATOM 353 CG PRO A2586 -5.835 1.662 1.910 1.00 0.00 C ATOM 354 CD PRO A2586 -6.177 2.537 3.081 1.00 0.00 C ATOM 0 HA PRO A2586 -5.186 -0.130 4.609 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.842 -0.234 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.437 -0.284 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.978 2.056 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.665 1.610 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.886 3.573 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.248 2.536 3.284 1.00 0.00 H new ATOM 362 N LYS A2587 -2.813 -0.545 4.048 1.00 0.00 N ATOM 363 CA LYS A2587 -1.386 -0.711 3.974 1.00 0.00 C ATOM 364 C LYS A2587 -0.986 -0.824 2.517 1.00 0.00 C ATOM 365 O LYS A2587 -1.756 -1.338 1.707 1.00 0.00 O ATOM 366 CB LYS A2587 -0.942 -1.958 4.756 1.00 0.00 C ATOM 367 CG LYS A2587 -1.281 -1.902 6.244 1.00 0.00 C ATOM 368 CD LYS A2587 -0.830 -3.151 7.012 1.00 0.00 C ATOM 369 CE LYS A2587 -1.561 -4.419 6.560 1.00 0.00 C ATOM 370 NZ LYS A2587 -3.029 -4.341 6.769 1.00 0.00 N ATOM 0 H LYS A2587 -3.320 -1.385 4.326 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.894 0.152 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.413 -2.838 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.135 -2.083 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.811 -1.023 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.358 -1.780 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A2587 0.243 -3.288 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -1.001 -2.999 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.358 -4.593 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.166 -5.275 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.350 -5.178 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -3.257 -3.483 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -3.510 -4.307 5.847 1.00 0.00 H new ATOM 384 N ASN A2588 0.197 -0.340 2.196 1.00 0.00 N ATOM 385 CA ASN A2588 0.747 -0.343 0.816 1.00 0.00 C ATOM 386 C ASN A2588 0.668 -1.728 0.158 1.00 0.00 C ATOM 387 O ASN A2588 0.381 -1.847 -1.029 1.00 0.00 O ATOM 388 CB ASN A2588 2.196 0.169 0.834 1.00 0.00 C ATOM 389 CG ASN A2588 2.876 0.168 -0.543 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.761 1.264 -1.269 1.00 0.00 O flip ATOM 391 ND2 ASN A2588 3.511 -0.818 -0.944 1.00 0.00 N flip ATOM 0 H ASN A2588 0.827 0.077 2.881 1.00 0.00 H new ATOM 0 HA ASN A2588 0.133 0.325 0.212 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.207 1.183 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.780 -0.448 1.517 1.00 0.00 H new ATOM 0 HD21 ASN A2588 3.582 -1.651 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A2588 3.963 -0.796 -1.858 1.00 0.00 H new ATOM 398 N LYS A2589 0.869 -2.762 0.953 1.00 0.00 N ATOM 399 CA LYS A2589 0.798 -4.150 0.487 1.00 0.00 C ATOM 400 C LYS A2589 -0.619 -4.540 0.028 1.00 0.00 C ATOM 401 O LYS A2589 -0.788 -5.303 -0.930 1.00 0.00 O ATOM 402 CB LYS A2589 1.275 -5.103 1.595 1.00 0.00 C ATOM 403 CG LYS A2589 0.519 -4.962 2.919 1.00 0.00 C ATOM 404 CD LYS A2589 1.065 -5.886 3.997 1.00 0.00 C ATOM 405 CE LYS A2589 0.845 -7.350 3.663 1.00 0.00 C ATOM 406 NZ LYS A2589 1.388 -8.235 4.712 1.00 0.00 N ATOM 0 H LYS A2589 1.087 -2.671 1.945 1.00 0.00 H new ATOM 0 HA LYS A2589 1.455 -4.236 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.176 -6.129 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.336 -4.929 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.582 -3.929 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.537 -5.180 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.131 -5.701 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.584 -5.656 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.222 -7.540 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.320 -7.581 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 1.220 -9.227 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 2.410 -8.071 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 0.917 -8.031 5.616 1.00 0.00 H new ATOM 420 N ASP A2590 -1.627 -3.984 0.692 1.00 0.00 N ATOM 421 CA ASP A2590 -3.026 -4.333 0.418 1.00 0.00 C ATOM 422 C ASP A2590 -3.630 -3.369 -0.553 1.00 0.00 C ATOM 423 O ASP A2590 -4.730 -3.601 -1.063 1.00 0.00 O ATOM 424 CB ASP A2590 -3.882 -4.294 1.687 1.00 0.00 C ATOM 425 CG ASP A2590 -3.398 -5.170 2.805 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.584 -6.407 2.749 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.893 -4.636 3.796 1.00 0.00 O ATOM 0 H ASP A2590 -1.506 -3.287 1.427 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.015 -5.344 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.928 -3.265 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.900 -4.588 1.430 1.00 0.00 H new ATOM 432 N LEU A2591 -2.907 -2.295 -0.811 1.00 0.00 N ATOM 433 CA LEU A2591 -3.360 -1.194 -1.645 1.00 0.00 C ATOM 434 C LEU A2591 -3.898 -1.686 -2.980 1.00 0.00 C ATOM 435 O LEU A2591 -5.000 -1.350 -3.359 1.00 0.00 O ATOM 436 CB LEU A2591 -2.215 -0.205 -1.864 1.00 0.00 C ATOM 437 CG LEU A2591 -2.548 1.067 -2.638 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.557 1.913 -1.877 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.288 1.859 -2.944 1.00 0.00 C ATOM 0 H LEU A2591 -1.967 -2.160 -0.439 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.178 -0.692 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.823 0.083 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.413 -0.723 -2.390 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.000 0.780 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.780 2.815 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.473 1.341 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.142 2.190 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.551 2.761 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.796 2.135 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.612 1.250 -3.544 1.00 0.00 H new ATOM 451 N VAL A2592 -3.139 -2.532 -3.644 1.00 0.00 N ATOM 452 CA VAL A2592 -3.519 -3.058 -4.957 1.00 0.00 C ATOM 453 C VAL A2592 -4.867 -3.809 -4.932 1.00 0.00 C ATOM 454 O VAL A2592 -5.684 -3.676 -5.843 1.00 0.00 O ATOM 455 CB VAL A2592 -2.408 -3.955 -5.555 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.170 -3.121 -5.862 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.049 -5.083 -4.597 1.00 0.00 C ATOM 0 H VAL A2592 -2.244 -2.879 -3.299 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.646 -2.190 -5.604 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.783 -4.393 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.395 -3.762 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.425 -2.342 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.803 -2.662 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.266 -5.700 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.692 -4.662 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -2.931 -5.695 -4.409 1.00 0.00 H new ATOM 467 N GLU A2593 -5.105 -4.536 -3.860 1.00 0.00 N ATOM 468 CA GLU A2593 -6.313 -5.296 -3.693 1.00 0.00 C ATOM 469 C GLU A2593 -7.472 -4.371 -3.405 1.00 0.00 C ATOM 470 O GLU A2593 -8.552 -4.520 -3.975 1.00 0.00 O ATOM 471 CB GLU A2593 -6.152 -6.284 -2.558 1.00 0.00 C ATOM 472 CG GLU A2593 -5.054 -7.299 -2.785 1.00 0.00 C ATOM 473 CD GLU A2593 -5.016 -8.356 -1.717 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.704 -9.388 -1.862 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.265 -8.193 -0.726 1.00 0.00 O ATOM 0 H GLU A2593 -4.456 -4.613 -3.077 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.514 -5.842 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.944 -5.737 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.095 -6.810 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.197 -7.773 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.092 -6.787 -2.819 1.00 0.00 H new ATOM 482 N TRP A2594 -7.220 -3.403 -2.538 1.00 0.00 N ATOM 483 CA TRP A2594 -8.214 -2.415 -2.138 1.00 0.00 C ATOM 484 C TRP A2594 -8.662 -1.621 -3.367 1.00 0.00 C ATOM 485 O TRP A2594 -9.841 -1.323 -3.541 1.00 0.00 O ATOM 486 CB TRP A2594 -7.599 -1.469 -1.090 1.00 0.00 C ATOM 487 CG TRP A2594 -8.606 -0.654 -0.339 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.234 -1.022 0.811 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.107 0.651 -0.668 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.088 -0.042 1.218 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.034 0.997 0.334 1.00 0.00 C ATOM 492 CE3 TRP A2594 -8.869 1.561 -1.701 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.722 2.206 0.329 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.550 2.750 -1.695 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.467 3.067 -0.690 1.00 0.00 C ATOM 0 H TRP A2594 -6.313 -3.279 -2.088 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.079 -2.915 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.021 -2.058 -0.379 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -6.901 -0.796 -1.588 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.078 -1.958 1.327 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.675 -0.079 2.051 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.164 1.332 -2.487 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.432 2.451 1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.373 3.461 -2.488 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -10.983 4.015 -0.724 1.00 0.00 H new ATOM 506 N LEU A2595 -7.705 -1.343 -4.234 1.00 0.00 N ATOM 507 CA LEU A2595 -7.930 -0.604 -5.478 1.00 0.00 C ATOM 508 C LEU A2595 -8.870 -1.323 -6.403 1.00 0.00 C ATOM 509 O LEU A2595 -9.693 -0.701 -7.061 1.00 0.00 O ATOM 510 CB LEU A2595 -6.603 -0.338 -6.181 1.00 0.00 C ATOM 511 CG LEU A2595 -5.874 0.958 -5.822 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.073 1.352 -4.363 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.397 0.817 -6.140 1.00 0.00 C ATOM 0 H LEU A2595 -6.734 -1.625 -4.098 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.397 0.344 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.934 -1.172 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.783 -0.339 -7.256 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.304 1.758 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.535 2.278 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.135 1.499 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.691 0.561 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.880 1.741 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -3.977 -0.006 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.272 0.614 -7.204 1.00 0.00 H new ATOM 525 N LYS A2596 -8.771 -2.624 -6.440 1.00 0.00 N ATOM 526 CA LYS A2596 -9.638 -3.420 -7.292 1.00 0.00 C ATOM 527 C LYS A2596 -11.052 -3.456 -6.741 1.00 0.00 C ATOM 528 O LYS A2596 -12.011 -3.705 -7.467 1.00 0.00 O ATOM 529 CB LYS A2596 -9.095 -4.829 -7.433 1.00 0.00 C ATOM 530 CG LYS A2596 -7.738 -4.885 -8.091 1.00 0.00 C ATOM 531 CD LYS A2596 -7.254 -6.305 -8.224 1.00 0.00 C ATOM 532 CE LYS A2596 -5.886 -6.354 -8.871 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.423 -7.740 -9.073 1.00 0.00 N ATOM 0 H LYS A2596 -8.101 -3.164 -5.893 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.665 -2.954 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.031 -5.286 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.798 -5.425 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.790 -4.422 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.023 -4.308 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.212 -6.772 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.963 -6.880 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.920 -5.839 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.170 -5.819 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.483 -7.731 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -5.366 -8.224 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.093 -8.243 -9.689 1.00 0.00 H new ATOM 547 N LEU A2597 -11.173 -3.193 -5.462 1.00 0.00 N ATOM 548 CA LEU A2597 -12.453 -3.209 -4.791 1.00 0.00 C ATOM 549 C LEU A2597 -13.103 -1.835 -4.836 1.00 0.00 C ATOM 550 O LEU A2597 -14.317 -1.707 -4.669 1.00 0.00 O ATOM 551 CB LEU A2597 -12.285 -3.664 -3.342 1.00 0.00 C ATOM 552 CG LEU A2597 -11.582 -5.010 -3.141 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.528 -5.378 -1.668 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.251 -6.107 -3.961 1.00 0.00 C ATOM 0 H LEU A2597 -10.386 -2.961 -4.855 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.102 -3.914 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.725 -2.899 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.272 -3.719 -2.882 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.557 -4.911 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.024 -6.338 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -10.979 -4.611 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.542 -5.450 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.731 -7.051 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.292 -6.208 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.210 -5.847 -5.019 1.00 0.00 H new ATOM 566 N HIS A2598 -12.302 -0.815 -5.074 1.00 0.00 N ATOM 567 CA HIS A2598 -12.787 0.550 -5.120 1.00 0.00 C ATOM 568 C HIS A2598 -12.320 1.286 -6.365 1.00 0.00 C ATOM 569 O HIS A2598 -11.294 1.957 -6.357 1.00 0.00 O ATOM 570 CB HIS A2598 -12.405 1.355 -3.868 1.00 0.00 C ATOM 571 CG HIS A2598 -13.123 0.943 -2.623 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.338 1.459 -2.240 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.768 0.069 -1.655 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.679 0.902 -1.079 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.757 0.043 -0.675 1.00 0.00 N ATOM 0 H HIS A2598 -11.300 -0.909 -5.240 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.873 0.469 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.332 1.258 -3.702 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.604 2.410 -4.055 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.861 -0.517 -1.643 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.588 1.122 -0.539 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.768 -0.520 0.176 1.00 0.00 H new ATOM 583 N PRO A2599 -13.055 1.159 -7.472 1.00 0.00 N ATOM 584 CA PRO A2599 -12.746 1.882 -8.713 1.00 0.00 C ATOM 585 C PRO A2599 -13.084 3.364 -8.564 1.00 0.00 C ATOM 586 O PRO A2599 -12.647 4.217 -9.347 1.00 0.00 O ATOM 587 CB PRO A2599 -13.677 1.229 -9.737 1.00 0.00 C ATOM 588 CG PRO A2599 -14.813 0.700 -8.938 1.00 0.00 C ATOM 589 CD PRO A2599 -14.231 0.278 -7.624 1.00 0.00 C ATOM 0 HA PRO A2599 -11.693 1.830 -8.990 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -14.018 1.952 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -13.170 0.431 -10.280 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -15.580 1.462 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -15.287 -0.141 -9.443 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.941 0.412 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.947 -0.774 -7.630 1.00 0.00 H new ATOM 597 N THR A2600 -13.816 3.642 -7.528 1.00 0.00 N ATOM 598 CA THR A2600 -14.317 4.923 -7.201 1.00 0.00 C ATOM 599 C THR A2600 -13.444 5.620 -6.152 1.00 0.00 C ATOM 600 O THR A2600 -13.863 6.594 -5.535 1.00 0.00 O ATOM 601 CB THR A2600 -15.724 4.711 -6.654 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.721 3.478 -5.888 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.742 4.602 -7.778 1.00 0.00 C ATOM 0 H THR A2600 -14.091 2.929 -6.853 1.00 0.00 H new ATOM 0 HA THR A2600 -14.318 5.564 -8.083 1.00 0.00 H new ATOM 0 HB THR A2600 -16.002 5.562 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.621 3.090 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.736 4.451 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.733 5.519 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.488 3.757 -8.418 1.00 0.00 H new ATOM 611 N TYR A2601 -12.230 5.142 -5.950 1.00 0.00 N ATOM 612 CA TYR A2601 -11.376 5.762 -4.957 1.00 0.00 C ATOM 613 C TYR A2601 -10.502 6.843 -5.613 1.00 0.00 C ATOM 614 O TYR A2601 -10.561 7.040 -6.839 1.00 0.00 O ATOM 615 CB TYR A2601 -10.478 4.704 -4.277 1.00 0.00 C ATOM 616 CG TYR A2601 -9.121 4.482 -4.934 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.999 3.950 -6.206 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.968 4.856 -4.269 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.767 3.796 -6.791 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.741 4.716 -4.841 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.639 4.187 -6.108 1.00 0.00 C ATOM 622 OH TYR A2601 -5.402 4.041 -6.689 1.00 0.00 O ATOM 0 H TYR A2601 -11.822 4.349 -6.445 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.008 6.224 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.317 5.000 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.014 3.755 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.886 3.652 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.043 5.268 -3.274 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.684 3.371 -7.780 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.853 5.018 -4.305 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.711 4.366 -6.074 1.00 0.00 H new ATOM 632 N THR A2602 -9.734 7.537 -4.806 1.00 0.00 N ATOM 633 CA THR A2602 -8.709 8.418 -5.278 1.00 0.00 C ATOM 634 C THR A2602 -7.647 8.538 -4.175 1.00 0.00 C ATOM 635 O THR A2602 -7.928 8.213 -2.995 1.00 0.00 O ATOM 636 CB THR A2602 -9.258 9.816 -5.687 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.258 10.538 -6.421 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.656 10.641 -4.470 1.00 0.00 C ATOM 0 H THR A2602 -9.810 7.500 -3.790 1.00 0.00 H new ATOM 0 HA THR A2602 -8.273 8.001 -6.186 1.00 0.00 H new ATOM 0 HB THR A2602 -10.141 9.652 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.610 11.416 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.034 11.610 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.432 10.117 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.786 10.788 -3.830 1.00 0.00 H new ATOM 646 N VAL A2603 -6.453 8.954 -4.543 1.00 0.00 N ATOM 647 CA VAL A2603 -5.362 9.107 -3.599 1.00 0.00 C ATOM 648 C VAL A2603 -5.566 10.380 -2.785 1.00 0.00 C ATOM 649 O VAL A2603 -5.570 11.486 -3.329 1.00 0.00 O ATOM 650 CB VAL A2603 -3.983 9.149 -4.319 1.00 0.00 C ATOM 651 CG1 VAL A2603 -2.841 9.283 -3.318 1.00 0.00 C ATOM 652 CG2 VAL A2603 -3.788 7.908 -5.173 1.00 0.00 C ATOM 0 H VAL A2603 -6.210 9.196 -5.504 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.362 8.242 -2.936 1.00 0.00 H new ATOM 0 HB VAL A2603 -3.973 10.026 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -1.891 9.310 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -2.963 10.204 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -2.852 8.431 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -2.818 7.956 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -3.829 7.021 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.577 7.855 -5.924 1.00 0.00 H new ATOM 662 N ASP A2604 -5.727 10.220 -1.493 1.00 0.00 N ATOM 663 CA ASP A2604 -5.992 11.350 -0.614 1.00 0.00 C ATOM 664 C ASP A2604 -4.683 11.993 -0.204 1.00 0.00 C ATOM 665 O ASP A2604 -4.638 13.182 0.081 1.00 0.00 O ATOM 666 CB ASP A2604 -6.764 10.899 0.632 1.00 0.00 C ATOM 667 CG ASP A2604 -7.269 12.053 1.474 1.00 0.00 C ATOM 668 OD1 ASP A2604 -6.488 12.669 2.232 1.00 0.00 O ATOM 669 OD2 ASP A2604 -8.463 12.351 1.414 1.00 0.00 O ATOM 0 H ASP A2604 -5.680 9.318 -1.019 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.602 12.075 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.610 10.285 0.324 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.118 10.268 1.243 1.00 0.00 H new