USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=8 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= 0.224 K(o=0.18,f=-9.7!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.0447 X(o=0.18,f=0.17) USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A2587 LYS NZ :NH3+ -110:sc= 0.983 (180deg=-1.1) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A2589 LYS NZ :NH3+ 150:sc= 1.1 (180deg=0.565) USER MOD Single : A2596 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.13) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.753 -2.198 2.685 1.00 0.00 N ATOM 33 CA PRO A2565 4.410 -2.784 2.762 1.00 0.00 C ATOM 34 C PRO A2565 3.607 -2.331 3.995 1.00 0.00 C ATOM 35 O PRO A2565 2.372 -2.359 3.968 1.00 0.00 O ATOM 36 CB PRO A2565 4.702 -4.277 2.857 1.00 0.00 C ATOM 37 CG PRO A2565 5.960 -4.441 2.103 1.00 0.00 C ATOM 38 CD PRO A2565 6.775 -3.236 2.417 1.00 0.00 C ATOM 0 HA PRO A2565 3.797 -2.484 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.812 -4.597 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A2565 3.896 -4.870 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.478 -5.353 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A2565 5.768 -4.517 1.033 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.419 -3.399 3.281 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.422 -2.959 1.585 1.00 0.00 H new ATOM 46 N ASP A2566 4.305 -1.898 5.058 1.00 0.00 N ATOM 47 CA ASP A2566 3.632 -1.462 6.299 1.00 0.00 C ATOM 48 C ASP A2566 3.110 -0.047 6.164 1.00 0.00 C ATOM 49 O ASP A2566 2.102 0.318 6.781 1.00 0.00 O ATOM 50 CB ASP A2566 4.601 -1.522 7.485 1.00 0.00 C ATOM 51 CG ASP A2566 4.006 -1.024 8.797 1.00 0.00 C ATOM 52 OD1 ASP A2566 4.051 0.214 9.081 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.513 -1.863 9.593 1.00 0.00 O ATOM 0 H ASP A2566 5.323 -1.840 5.087 1.00 0.00 H new ATOM 0 HA ASP A2566 2.795 -2.138 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.935 -2.551 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.484 -0.928 7.250 1.00 0.00 H new ATOM 58 N THR A2567 3.780 0.725 5.333 1.00 0.00 N ATOM 59 CA THR A2567 3.472 2.115 5.131 1.00 0.00 C ATOM 60 C THR A2567 2.042 2.272 4.609 1.00 0.00 C ATOM 61 O THR A2567 1.607 1.522 3.736 1.00 0.00 O ATOM 62 CB THR A2567 4.494 2.723 4.160 1.00 0.00 C ATOM 63 OG1 THR A2567 5.816 2.429 4.660 1.00 0.00 O ATOM 64 CG2 THR A2567 4.329 4.230 4.049 1.00 0.00 C ATOM 0 H THR A2567 4.565 0.393 4.773 1.00 0.00 H new ATOM 0 HA THR A2567 3.534 2.648 6.080 1.00 0.00 H new ATOM 0 HB THR A2567 4.339 2.295 3.170 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.487 2.807 4.054 1.00 0.00 H new ATOM 0 HG21 THR A2567 5.069 4.627 3.354 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.328 4.461 3.685 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.472 4.685 5.029 1.00 0.00 H new ATOM 72 N ARG A2568 1.326 3.210 5.174 1.00 0.00 N ATOM 73 CA ARG A2568 -0.073 3.392 4.877 1.00 0.00 C ATOM 74 C ARG A2568 -0.271 4.360 3.739 1.00 0.00 C ATOM 75 O ARG A2568 0.498 5.317 3.584 1.00 0.00 O ATOM 76 CB ARG A2568 -0.806 3.893 6.117 1.00 0.00 C ATOM 77 CG ARG A2568 -0.665 2.996 7.325 1.00 0.00 C ATOM 78 CD ARG A2568 -1.306 1.657 7.090 1.00 0.00 C ATOM 79 NE ARG A2568 -1.121 0.771 8.229 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.103 0.261 8.973 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.365 0.580 8.728 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.813 -0.571 9.959 1.00 0.00 N ATOM 0 H ARG A2568 1.697 3.872 5.856 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.482 2.428 4.576 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.433 4.885 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.865 4.001 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.391 2.860 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.123 3.474 8.191 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.371 1.790 6.900 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.878 1.199 6.198 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.164 0.520 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.591 1.220 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.111 0.186 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -0.842 -0.820 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.560 -0.964 10.531 1.00 0.00 H new ATOM 96 N ILE A2569 -1.294 4.115 2.957 1.00 0.00 N ATOM 97 CA ILE A2569 -1.629 4.956 1.838 1.00 0.00 C ATOM 98 C ILE A2569 -2.967 5.629 2.135 1.00 0.00 C ATOM 99 O ILE A2569 -4.010 4.968 2.117 1.00 0.00 O ATOM 100 CB ILE A2569 -1.781 4.128 0.537 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.591 3.163 0.349 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.904 5.069 -0.675 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.744 3.832 0.109 1.00 0.00 C ATOM 0 H ILE A2569 -1.921 3.320 3.082 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.831 5.685 1.696 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.688 3.529 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.510 2.533 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.807 2.504 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.010 4.478 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.779 5.708 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.010 5.688 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.516 3.072 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.690 4.439 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.990 4.468 0.959 1.00 0.00 H new ATOM 115 N PRO A2570 -2.960 6.917 2.486 1.00 0.00 N ATOM 116 CA PRO A2570 -4.182 7.652 2.775 1.00 0.00 C ATOM 117 C PRO A2570 -5.062 7.867 1.526 1.00 0.00 C ATOM 118 O PRO A2570 -4.840 8.791 0.730 1.00 0.00 O ATOM 119 CB PRO A2570 -3.695 8.986 3.351 1.00 0.00 C ATOM 120 CG PRO A2570 -2.281 9.126 2.893 1.00 0.00 C ATOM 121 CD PRO A2570 -1.751 7.744 2.653 1.00 0.00 C ATOM 0 HA PRO A2570 -4.822 7.102 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.307 9.814 2.994 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.757 8.990 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.230 9.721 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.683 9.642 3.644 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.119 7.708 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.145 7.399 3.491 1.00 0.00 H new ATOM 129 N VAL A2571 -6.032 7.000 1.354 1.00 0.00 N ATOM 130 CA VAL A2571 -6.921 7.037 0.210 1.00 0.00 C ATOM 131 C VAL A2571 -8.348 7.328 0.638 1.00 0.00 C ATOM 132 O VAL A2571 -8.667 7.311 1.835 1.00 0.00 O ATOM 133 CB VAL A2571 -6.889 5.724 -0.622 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.519 5.491 -1.227 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.295 4.526 0.221 1.00 0.00 C ATOM 0 H VAL A2571 -6.230 6.242 2.007 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.557 7.843 -0.427 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.611 5.838 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.528 4.566 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.264 6.324 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.778 5.416 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.262 3.624 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.607 4.421 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.307 4.673 0.598 1.00 0.00 H new ATOM 145 N ILE A2572 -9.197 7.601 -0.319 1.00 0.00 N ATOM 146 CA ILE A2572 -10.575 7.887 -0.041 1.00 0.00 C ATOM 147 C ILE A2572 -11.463 7.389 -1.192 1.00 0.00 C ATOM 148 O ILE A2572 -11.034 7.344 -2.349 1.00 0.00 O ATOM 149 CB ILE A2572 -10.794 9.424 0.195 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.247 9.710 0.626 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.415 10.240 -1.047 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.565 11.174 0.819 1.00 0.00 C ATOM 0 H ILE A2572 -8.951 7.631 -1.308 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.855 7.362 0.872 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.133 9.735 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.923 9.300 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.447 9.181 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.578 11.300 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.365 10.073 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -11.032 9.928 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.607 11.283 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.918 11.588 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.401 11.708 -0.117 1.00 0.00 H new ATOM 164 N ASN A2573 -12.656 6.968 -0.856 1.00 0.00 N ATOM 165 CA ASN A2573 -13.656 6.566 -1.828 1.00 0.00 C ATOM 166 C ASN A2573 -14.515 7.785 -2.095 1.00 0.00 C ATOM 167 O ASN A2573 -15.147 8.306 -1.178 1.00 0.00 O ATOM 168 CB ASN A2573 -14.524 5.437 -1.253 1.00 0.00 C ATOM 169 CG ASN A2573 -15.583 4.878 -2.216 1.00 0.00 C ATOM 170 OD1 ASN A2573 -16.101 5.568 -3.086 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.929 3.638 -2.035 1.00 0.00 N ATOM 0 H ASN A2573 -12.970 6.892 0.112 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.189 6.201 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.872 4.621 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.026 5.805 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.647 3.218 -2.625 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.482 3.085 -1.303 1.00 0.00 H new ATOM 178 N LEU A2574 -14.561 8.210 -3.327 1.00 0.00 N ATOM 179 CA LEU A2574 -15.253 9.445 -3.706 1.00 0.00 C ATOM 180 C LEU A2574 -16.758 9.286 -3.705 1.00 0.00 C ATOM 181 O LEU A2574 -17.494 10.244 -3.459 1.00 0.00 O ATOM 182 CB LEU A2574 -14.784 9.923 -5.077 1.00 0.00 C ATOM 183 CG LEU A2574 -13.316 10.327 -5.185 1.00 0.00 C ATOM 184 CD1 LEU A2574 -12.973 10.658 -6.623 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.027 11.522 -4.288 1.00 0.00 C ATOM 0 H LEU A2574 -14.125 7.721 -4.109 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.000 10.192 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.975 9.130 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.396 10.776 -5.370 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.699 9.490 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -11.924 10.945 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.151 9.784 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.597 11.483 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -11.976 11.798 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.650 12.364 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.248 11.262 -3.253 1.00 0.00 H new ATOM 197 N GLU A2575 -17.208 8.091 -3.946 1.00 0.00 N ATOM 198 CA GLU A2575 -18.618 7.818 -4.011 1.00 0.00 C ATOM 199 C GLU A2575 -19.207 7.747 -2.623 1.00 0.00 C ATOM 200 O GLU A2575 -20.181 8.433 -2.312 1.00 0.00 O ATOM 201 CB GLU A2575 -18.858 6.513 -4.756 1.00 0.00 C ATOM 202 CG GLU A2575 -18.452 6.567 -6.209 1.00 0.00 C ATOM 203 CD GLU A2575 -19.299 7.520 -6.990 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.441 7.158 -7.319 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.867 8.642 -7.272 1.00 0.00 O ATOM 0 H GLU A2575 -16.612 7.278 -4.103 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.109 8.628 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.305 5.714 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.915 6.256 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.407 6.866 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.530 5.571 -6.645 1.00 0.00 H new ATOM 212 N ASP A2576 -18.595 6.957 -1.782 1.00 0.00 N ATOM 213 CA ASP A2576 -19.098 6.745 -0.438 1.00 0.00 C ATOM 214 C ASP A2576 -18.724 7.860 0.488 1.00 0.00 C ATOM 215 O ASP A2576 -19.557 8.335 1.265 1.00 0.00 O ATOM 216 CB ASP A2576 -18.644 5.408 0.140 1.00 0.00 C ATOM 217 CG ASP A2576 -19.375 4.235 -0.454 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.933 3.688 -1.480 1.00 0.00 O ATOM 219 OD2 ASP A2576 -20.419 3.833 0.109 1.00 0.00 O ATOM 0 H ASP A2576 -17.741 6.443 -2.000 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.184 6.727 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.574 5.288 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.795 5.415 1.220 1.00 0.00 H new ATOM 224 N GLY A2577 -17.494 8.308 0.383 1.00 0.00 N ATOM 225 CA GLY A2577 -16.999 9.329 1.265 1.00 0.00 C ATOM 226 C GLY A2577 -16.090 8.755 2.329 1.00 0.00 C ATOM 227 O GLY A2577 -15.627 9.475 3.227 1.00 0.00 O ATOM 0 H GLY A2577 -16.820 7.978 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.456 10.077 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.838 9.839 1.739 1.00 0.00 H new ATOM 231 N THR A2578 -15.871 7.459 2.247 1.00 0.00 N ATOM 232 CA THR A2578 -15.026 6.735 3.111 1.00 0.00 C ATOM 233 C THR A2578 -13.580 7.204 2.971 1.00 0.00 C ATOM 234 O THR A2578 -12.978 7.033 1.911 1.00 0.00 O ATOM 235 CB THR A2578 -15.074 5.305 2.660 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.433 4.881 2.533 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.347 4.461 3.628 1.00 0.00 C ATOM 0 H THR A2578 -16.308 6.874 1.535 1.00 0.00 H new ATOM 0 HA THR A2578 -15.350 6.871 4.143 1.00 0.00 H new ATOM 0 HB THR A2578 -14.595 5.210 1.685 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.458 3.947 2.237 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.381 3.422 3.302 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.309 4.789 3.689 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.813 4.549 4.609 1.00 0.00 H new ATOM 245 N ARG A2579 -13.027 7.753 4.011 1.00 0.00 N ATOM 246 CA ARG A2579 -11.674 8.232 3.949 1.00 0.00 C ATOM 247 C ARG A2579 -10.827 7.476 4.913 1.00 0.00 C ATOM 248 O ARG A2579 -11.155 7.353 6.092 1.00 0.00 O ATOM 249 CB ARG A2579 -11.606 9.705 4.240 1.00 0.00 C ATOM 250 CG ARG A2579 -10.258 10.321 3.961 1.00 0.00 C ATOM 251 CD ARG A2579 -10.223 11.765 4.371 1.00 0.00 C ATOM 252 NE ARG A2579 -11.317 12.546 3.793 1.00 0.00 N ATOM 253 CZ ARG A2579 -11.272 13.851 3.541 1.00 0.00 C ATOM 254 NH1 ARG A2579 -10.141 14.531 3.724 1.00 0.00 N ATOM 255 NH2 ARG A2579 -12.359 14.468 3.102 1.00 0.00 N ATOM 0 H ARG A2579 -13.488 7.881 4.912 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.299 8.073 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.360 10.219 3.643 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.861 9.871 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.486 9.770 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.030 10.237 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -10.271 11.830 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -9.271 12.201 4.067 1.00 0.00 H new ATOM 0 HE ARG A2579 -12.180 12.052 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.306 14.051 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -10.111 15.532 3.530 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -13.221 13.942 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -12.333 15.469 2.906 1.00 0.00 H new ATOM 269 N LEU A2580 -9.742 6.991 4.427 1.00 0.00 N ATOM 270 CA LEU A2580 -8.890 6.165 5.189 1.00 0.00 C ATOM 271 C LEU A2580 -7.512 6.763 5.218 1.00 0.00 C ATOM 272 O LEU A2580 -6.771 6.705 4.238 1.00 0.00 O ATOM 273 CB LEU A2580 -8.885 4.795 4.554 1.00 0.00 C ATOM 274 CG LEU A2580 -10.272 4.208 4.328 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.189 2.961 3.524 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.981 3.961 5.646 1.00 0.00 C ATOM 0 H LEU A2580 -9.420 7.162 3.474 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.236 6.081 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.366 4.852 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.314 4.116 5.186 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.860 4.934 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.190 2.558 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.738 3.181 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.578 2.228 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.969 3.542 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.400 3.261 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.085 4.902 6.185 1.00 0.00 H new ATOM 288 N VAL A2581 -7.197 7.386 6.314 1.00 0.00 N ATOM 289 CA VAL A2581 -5.926 8.033 6.501 1.00 0.00 C ATOM 290 C VAL A2581 -5.314 7.519 7.795 1.00 0.00 C ATOM 291 O VAL A2581 -6.045 7.063 8.675 1.00 0.00 O ATOM 292 CB VAL A2581 -6.061 9.597 6.536 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.587 10.134 5.205 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.970 10.050 7.669 1.00 0.00 C ATOM 0 H VAL A2581 -7.822 7.462 7.117 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.280 7.796 5.655 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.064 10.002 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.670 11.220 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.898 9.862 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.568 9.704 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.042 11.138 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.962 9.620 7.533 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.558 9.717 8.622 1.00 0.00 H new ATOM 304 N GLY A2582 -4.002 7.539 7.885 1.00 0.00 N ATOM 305 CA GLY A2582 -3.331 7.065 9.081 1.00 0.00 C ATOM 306 C GLY A2582 -3.469 5.564 9.248 1.00 0.00 C ATOM 307 O GLY A2582 -3.244 4.814 8.303 1.00 0.00 O ATOM 0 H GLY A2582 -3.380 7.876 7.150 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.275 7.330 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.747 7.567 9.954 1.00 0.00 H new ATOM 311 N GLU A2583 -3.894 5.134 10.415 1.00 0.00 N ATOM 312 CA GLU A2583 -4.073 3.708 10.705 1.00 0.00 C ATOM 313 C GLU A2583 -5.332 3.186 10.031 1.00 0.00 C ATOM 314 O GLU A2583 -5.496 1.983 9.824 1.00 0.00 O ATOM 315 CB GLU A2583 -4.172 3.469 12.200 1.00 0.00 C ATOM 316 CG GLU A2583 -2.969 3.929 12.986 1.00 0.00 C ATOM 317 CD GLU A2583 -1.676 3.261 12.560 1.00 0.00 C ATOM 318 OE1 GLU A2583 -1.597 2.022 12.582 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.697 3.983 12.239 1.00 0.00 O ATOM 0 H GLU A2583 -4.127 5.750 11.194 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.204 3.176 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -5.056 3.981 12.580 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.320 2.404 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.864 5.008 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -3.139 3.731 14.044 1.00 0.00 H new ATOM 326 N ASP A2584 -6.219 4.101 9.699 1.00 0.00 N ATOM 327 CA ASP A2584 -7.455 3.772 8.981 1.00 0.00 C ATOM 328 C ASP A2584 -7.136 3.431 7.539 1.00 0.00 C ATOM 329 O ASP A2584 -7.906 2.757 6.862 1.00 0.00 O ATOM 330 CB ASP A2584 -8.461 4.948 9.002 1.00 0.00 C ATOM 331 CG ASP A2584 -9.124 5.192 10.340 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.528 5.851 11.224 1.00 0.00 O ATOM 333 OD2 ASP A2584 -10.280 4.762 10.525 1.00 0.00 O ATOM 0 H ASP A2584 -6.114 5.093 9.913 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.908 2.918 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.942 5.857 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.235 4.759 8.258 1.00 0.00 H new ATOM 338 N ALA A2585 -5.988 3.887 7.086 1.00 0.00 N ATOM 339 CA ALA A2585 -5.561 3.712 5.718 1.00 0.00 C ATOM 340 C ALA A2585 -5.051 2.301 5.463 1.00 0.00 C ATOM 341 O ALA A2585 -4.487 1.650 6.372 1.00 0.00 O ATOM 342 CB ALA A2585 -4.478 4.722 5.392 1.00 0.00 C ATOM 0 H ALA A2585 -5.319 4.395 7.665 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.424 3.872 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.156 4.590 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.870 5.731 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.629 4.573 6.059 1.00 0.00 H new ATOM 348 N PRO A2586 -5.265 1.787 4.241 1.00 0.00 N ATOM 349 CA PRO A2586 -4.728 0.504 3.828 1.00 0.00 C ATOM 350 C PRO A2586 -3.212 0.584 3.710 1.00 0.00 C ATOM 351 O PRO A2586 -2.648 1.665 3.451 1.00 0.00 O ATOM 352 CB PRO A2586 -5.364 0.259 2.448 1.00 0.00 C ATOM 353 CG PRO A2586 -5.724 1.609 1.951 1.00 0.00 C ATOM 354 CD PRO A2586 -6.068 2.415 3.168 1.00 0.00 C ATOM 0 HA PRO A2586 -4.946 -0.295 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.666 -0.238 1.774 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.243 -0.381 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.894 2.059 1.406 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.568 1.560 1.263 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.811 3.466 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.135 2.372 3.389 1.00 0.00 H new ATOM 362 N LYS A2587 -2.551 -0.514 3.945 1.00 0.00 N ATOM 363 CA LYS A2587 -1.116 -0.558 3.842 1.00 0.00 C ATOM 364 C LYS A2587 -0.736 -0.634 2.373 1.00 0.00 C ATOM 365 O LYS A2587 -1.574 -0.961 1.539 1.00 0.00 O ATOM 366 CB LYS A2587 -0.617 -1.777 4.590 1.00 0.00 C ATOM 367 CG LYS A2587 -1.230 -1.875 5.962 1.00 0.00 C ATOM 368 CD LYS A2587 -0.924 -3.173 6.641 1.00 0.00 C ATOM 369 CE LYS A2587 -1.928 -3.407 7.745 1.00 0.00 C ATOM 370 NZ LYS A2587 -3.290 -3.621 7.200 1.00 0.00 N ATOM 0 H LYS A2587 -2.985 -1.398 4.211 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.664 0.334 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -0.853 -2.676 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.468 -1.731 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.865 -1.053 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.311 -1.758 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.960 -3.991 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A2587 0.086 -3.153 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.629 -4.275 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.935 -2.551 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.888 -2.802 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -3.237 -3.733 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -3.701 -4.479 7.620 1.00 0.00 H new ATOM 384 N ASN A2588 0.506 -0.359 2.072 1.00 0.00 N ATOM 385 CA ASN A2588 1.033 -0.354 0.697 1.00 0.00 C ATOM 386 C ASN A2588 0.831 -1.715 0.022 1.00 0.00 C ATOM 387 O ASN A2588 0.668 -1.814 -1.198 1.00 0.00 O ATOM 388 CB ASN A2588 2.521 0.025 0.727 1.00 0.00 C ATOM 389 CG ASN A2588 3.194 0.096 -0.651 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.584 0.448 -1.666 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.457 -0.238 -0.695 1.00 0.00 N ATOM 0 H ASN A2588 1.207 -0.126 2.775 1.00 0.00 H new ATOM 0 HA ASN A2588 0.485 0.383 0.110 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.625 0.993 1.217 1.00 0.00 H new ATOM 0 HB3 ASN A2588 3.055 -0.702 1.340 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.961 -0.211 -1.581 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.939 -0.525 0.157 1.00 0.00 H new ATOM 398 N LYS A2589 0.805 -2.756 0.827 1.00 0.00 N ATOM 399 CA LYS A2589 0.590 -4.094 0.323 1.00 0.00 C ATOM 400 C LYS A2589 -0.907 -4.354 0.088 1.00 0.00 C ATOM 401 O LYS A2589 -1.277 -5.080 -0.822 1.00 0.00 O ATOM 402 CB LYS A2589 1.163 -5.133 1.292 1.00 0.00 C ATOM 403 CG LYS A2589 0.490 -5.154 2.658 1.00 0.00 C ATOM 404 CD LYS A2589 1.084 -6.215 3.558 1.00 0.00 C ATOM 405 CE LYS A2589 0.230 -6.433 4.797 1.00 0.00 C ATOM 406 NZ LYS A2589 -1.116 -6.945 4.458 1.00 0.00 N ATOM 0 H LYS A2589 0.931 -2.700 1.838 1.00 0.00 H new ATOM 0 HA LYS A2589 1.109 -4.184 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.074 -6.121 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.227 -4.939 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.594 -4.177 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.577 -5.337 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.175 -7.152 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A2589 2.090 -5.920 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.729 -7.138 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A2589 0.134 -5.494 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.468 -7.538 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -1.765 -6.145 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.063 -7.512 3.588 1.00 0.00 H new ATOM 420 N ASP A2590 -1.756 -3.725 0.890 1.00 0.00 N ATOM 421 CA ASP A2590 -3.211 -3.963 0.811 1.00 0.00 C ATOM 422 C ASP A2590 -3.819 -3.093 -0.235 1.00 0.00 C ATOM 423 O ASP A2590 -4.896 -3.390 -0.749 1.00 0.00 O ATOM 424 CB ASP A2590 -3.951 -3.624 2.105 1.00 0.00 C ATOM 425 CG ASP A2590 -3.358 -4.165 3.381 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.789 -5.256 3.380 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.437 -3.446 4.414 1.00 0.00 O ATOM 0 H ASP A2590 -1.476 -3.049 1.601 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.314 -5.026 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.010 -2.539 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.973 -3.993 2.020 1.00 0.00 H new ATOM 432 N LEU A2591 -3.126 -2.008 -0.528 1.00 0.00 N ATOM 433 CA LEU A2591 -3.557 -0.976 -1.450 1.00 0.00 C ATOM 434 C LEU A2591 -4.068 -1.567 -2.744 1.00 0.00 C ATOM 435 O LEU A2591 -5.179 -1.294 -3.157 1.00 0.00 O ATOM 436 CB LEU A2591 -2.376 -0.054 -1.758 1.00 0.00 C ATOM 437 CG LEU A2591 -2.664 1.094 -2.717 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.627 2.088 -2.096 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.380 1.762 -3.183 1.00 0.00 C ATOM 0 H LEU A2591 -2.214 -1.815 -0.114 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.370 -0.420 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.011 0.364 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.568 -0.656 -2.174 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.146 0.681 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.817 2.898 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.565 1.586 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.192 2.495 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.621 2.577 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.842 2.158 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.755 1.031 -3.696 1.00 0.00 H new ATOM 451 N VAL A2592 -3.279 -2.433 -3.320 1.00 0.00 N ATOM 452 CA VAL A2592 -3.598 -3.044 -4.594 1.00 0.00 C ATOM 453 C VAL A2592 -4.914 -3.825 -4.553 1.00 0.00 C ATOM 454 O VAL A2592 -5.681 -3.800 -5.504 1.00 0.00 O ATOM 455 CB VAL A2592 -2.451 -3.947 -5.082 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.228 -3.103 -5.411 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.097 -4.979 -4.026 1.00 0.00 C ATOM 0 H VAL A2592 -2.391 -2.740 -2.922 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.726 -2.229 -5.306 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.780 -4.468 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.421 -3.750 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.479 -2.388 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.906 -2.566 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.284 -5.608 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.783 -4.473 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -2.969 -5.599 -3.816 1.00 0.00 H new ATOM 467 N GLU A2593 -5.189 -4.454 -3.428 1.00 0.00 N ATOM 468 CA GLU A2593 -6.385 -5.236 -3.256 1.00 0.00 C ATOM 469 C GLU A2593 -7.579 -4.322 -3.122 1.00 0.00 C ATOM 470 O GLU A2593 -8.614 -4.524 -3.762 1.00 0.00 O ATOM 471 CB GLU A2593 -6.253 -6.102 -2.014 1.00 0.00 C ATOM 472 CG GLU A2593 -5.116 -7.111 -2.075 1.00 0.00 C ATOM 473 CD GLU A2593 -5.232 -8.041 -3.259 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.956 -9.049 -3.168 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.586 -7.785 -4.301 1.00 0.00 O ATOM 0 H GLU A2593 -4.583 -4.434 -2.607 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.525 -5.877 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.105 -5.456 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.190 -6.636 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.165 -6.580 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.105 -7.697 -1.156 1.00 0.00 H new ATOM 482 N TRP A2594 -7.395 -3.280 -2.331 1.00 0.00 N ATOM 483 CA TRP A2594 -8.435 -2.308 -2.045 1.00 0.00 C ATOM 484 C TRP A2594 -8.839 -1.596 -3.341 1.00 0.00 C ATOM 485 O TRP A2594 -10.010 -1.333 -3.589 1.00 0.00 O ATOM 486 CB TRP A2594 -7.901 -1.301 -1.014 1.00 0.00 C ATOM 487 CG TRP A2594 -8.960 -0.513 -0.315 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.637 -0.899 0.794 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.456 0.787 -0.655 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.525 0.068 1.171 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.436 1.116 0.298 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.172 1.704 -1.664 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.134 2.320 0.265 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.863 2.885 -1.689 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.831 3.190 -0.732 1.00 0.00 C ATOM 0 H TRP A2594 -6.510 -3.083 -1.864 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.316 -2.803 -1.636 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.314 -1.839 -0.269 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.223 -0.611 -1.516 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.494 -1.839 1.307 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.152 0.016 1.973 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.422 1.488 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.887 2.553 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.653 3.600 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.349 4.136 -0.785 1.00 0.00 H new ATOM 506 N LEU A2595 -7.852 -1.350 -4.180 1.00 0.00 N ATOM 507 CA LEU A2595 -8.035 -0.687 -5.480 1.00 0.00 C ATOM 508 C LEU A2595 -8.884 -1.508 -6.422 1.00 0.00 C ATOM 509 O LEU A2595 -9.666 -0.964 -7.203 1.00 0.00 O ATOM 510 CB LEU A2595 -6.676 -0.405 -6.106 1.00 0.00 C ATOM 511 CG LEU A2595 -5.998 0.920 -5.743 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.265 1.330 -4.300 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.510 0.799 -5.979 1.00 0.00 C ATOM 0 H LEU A2595 -6.883 -1.604 -3.986 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.562 0.251 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.002 -1.216 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.790 -0.440 -7.189 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.420 1.697 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.763 2.275 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.338 1.447 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.885 0.561 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.023 1.740 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.107 -0.000 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.326 0.570 -7.029 1.00 0.00 H new ATOM 525 N LYS A2596 -8.742 -2.814 -6.335 1.00 0.00 N ATOM 526 CA LYS A2596 -9.509 -3.737 -7.167 1.00 0.00 C ATOM 527 C LYS A2596 -10.970 -3.724 -6.741 1.00 0.00 C ATOM 528 O LYS A2596 -11.870 -4.034 -7.529 1.00 0.00 O ATOM 529 CB LYS A2596 -8.955 -5.155 -7.022 1.00 0.00 C ATOM 530 CG LYS A2596 -7.510 -5.303 -7.438 1.00 0.00 C ATOM 531 CD LYS A2596 -6.976 -6.667 -7.058 1.00 0.00 C ATOM 532 CE LYS A2596 -5.501 -6.792 -7.380 1.00 0.00 C ATOM 533 NZ LYS A2596 -4.953 -8.081 -6.927 1.00 0.00 N ATOM 0 H LYS A2596 -8.097 -3.271 -5.691 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.429 -3.421 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.056 -5.467 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.564 -5.833 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.421 -5.160 -8.515 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.909 -4.527 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.133 -6.837 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.533 -7.439 -7.590 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.353 -6.691 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -4.954 -5.977 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -3.970 -8.174 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -4.979 -8.123 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.523 -8.858 -7.319 1.00 0.00 H new ATOM 547 N LEU A2597 -11.197 -3.366 -5.501 1.00 0.00 N ATOM 548 CA LEU A2597 -12.530 -3.330 -4.945 1.00 0.00 C ATOM 549 C LEU A2597 -13.152 -1.943 -5.122 1.00 0.00 C ATOM 550 O LEU A2597 -14.378 -1.804 -5.236 1.00 0.00 O ATOM 551 CB LEU A2597 -12.480 -3.694 -3.455 1.00 0.00 C ATOM 552 CG LEU A2597 -11.815 -5.035 -3.106 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.756 -5.225 -1.602 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.549 -6.201 -3.757 1.00 0.00 C ATOM 0 H LEU A2597 -10.464 -3.091 -4.848 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.148 -4.055 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.951 -2.901 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.500 -3.707 -3.071 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.798 -5.014 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.282 -6.180 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.177 -4.417 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.767 -5.215 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.055 -7.136 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.581 -6.223 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.537 -6.079 -4.840 1.00 0.00 H new ATOM 566 N HIS A2598 -12.320 -0.920 -5.160 1.00 0.00 N ATOM 567 CA HIS A2598 -12.811 0.445 -5.234 1.00 0.00 C ATOM 568 C HIS A2598 -12.189 1.233 -6.382 1.00 0.00 C ATOM 569 O HIS A2598 -11.234 1.966 -6.181 1.00 0.00 O ATOM 570 CB HIS A2598 -12.575 1.200 -3.911 1.00 0.00 C ATOM 571 CG HIS A2598 -13.244 0.571 -2.711 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.567 0.757 -2.381 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.745 -0.262 -1.767 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.825 0.052 -1.274 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.751 -0.589 -0.857 1.00 0.00 N ATOM 0 H HIS A2598 -11.304 -1.006 -5.141 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.882 0.365 -5.420 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.502 1.259 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.936 2.223 -4.020 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.726 -0.618 -1.725 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.787 0.013 -0.786 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.672 -1.196 -0.041 1.00 0.00 H new ATOM 583 N PRO A2599 -12.703 1.089 -7.614 1.00 0.00 N ATOM 584 CA PRO A2599 -12.222 1.887 -8.751 1.00 0.00 C ATOM 585 C PRO A2599 -12.714 3.337 -8.637 1.00 0.00 C ATOM 586 O PRO A2599 -12.251 4.240 -9.330 1.00 0.00 O ATOM 587 CB PRO A2599 -12.850 1.202 -9.969 1.00 0.00 C ATOM 588 CG PRO A2599 -14.060 0.503 -9.440 1.00 0.00 C ATOM 589 CD PRO A2599 -13.747 0.122 -8.017 1.00 0.00 C ATOM 0 HA PRO A2599 -11.134 1.934 -8.805 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.118 1.929 -10.736 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.156 0.497 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.934 1.153 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.289 -0.380 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.628 0.196 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.389 -0.905 -7.947 1.00 0.00 H new ATOM 597 N THR A2600 -13.632 3.535 -7.733 1.00 0.00 N ATOM 598 CA THR A2600 -14.247 4.797 -7.453 1.00 0.00 C ATOM 599 C THR A2600 -13.486 5.540 -6.345 1.00 0.00 C ATOM 600 O THR A2600 -14.028 6.437 -5.674 1.00 0.00 O ATOM 601 CB THR A2600 -15.673 4.504 -6.998 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.633 3.373 -6.099 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.561 4.171 -8.186 1.00 0.00 C ATOM 0 H THR A2600 -13.987 2.782 -7.144 1.00 0.00 H new ATOM 0 HA THR A2600 -14.236 5.431 -8.339 1.00 0.00 H new ATOM 0 HB THR A2600 -16.084 5.383 -6.501 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.541 3.167 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.573 3.966 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.579 5.015 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.169 3.293 -8.699 1.00 0.00 H new ATOM 611 N TYR A2601 -12.239 5.175 -6.154 1.00 0.00 N ATOM 612 CA TYR A2601 -11.447 5.793 -5.140 1.00 0.00 C ATOM 613 C TYR A2601 -10.528 6.845 -5.771 1.00 0.00 C ATOM 614 O TYR A2601 -10.524 7.040 -6.994 1.00 0.00 O ATOM 615 CB TYR A2601 -10.584 4.726 -4.409 1.00 0.00 C ATOM 616 CG TYR A2601 -9.197 4.494 -5.013 1.00 0.00 C ATOM 617 CD1 TYR A2601 -9.030 4.022 -6.307 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.065 4.816 -4.285 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.781 3.873 -6.848 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.813 4.686 -4.818 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.666 4.212 -6.103 1.00 0.00 C ATOM 622 OH TYR A2601 -5.406 4.096 -6.655 1.00 0.00 O ATOM 0 H TYR A2601 -11.760 4.453 -6.692 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.110 6.272 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.465 5.027 -3.368 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.126 3.780 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.899 3.768 -6.897 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.173 5.178 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.667 3.492 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.944 4.953 -4.235 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.734 4.376 -5.999 1.00 0.00 H new ATOM 632 N THR A2602 -9.785 7.504 -4.936 1.00 0.00 N ATOM 633 CA THR A2602 -8.705 8.330 -5.330 1.00 0.00 C ATOM 634 C THR A2602 -7.831 8.442 -4.095 1.00 0.00 C ATOM 635 O THR A2602 -8.325 8.247 -2.968 1.00 0.00 O ATOM 636 CB THR A2602 -9.175 9.735 -5.845 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.150 10.345 -6.646 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.530 10.682 -4.704 1.00 0.00 C ATOM 0 H THR A2602 -9.926 7.475 -3.926 1.00 0.00 H new ATOM 0 HA THR A2602 -8.166 7.903 -6.176 1.00 0.00 H new ATOM 0 HB THR A2602 -10.071 9.563 -6.441 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.459 11.220 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.849 11.641 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.339 10.252 -4.113 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.656 10.831 -4.070 1.00 0.00 H new ATOM 646 N VAL A2603 -6.571 8.634 -4.268 1.00 0.00 N ATOM 647 CA VAL A2603 -5.716 8.821 -3.132 1.00 0.00 C ATOM 648 C VAL A2603 -5.923 10.226 -2.573 1.00 0.00 C ATOM 649 O VAL A2603 -5.789 11.226 -3.293 1.00 0.00 O ATOM 650 CB VAL A2603 -4.219 8.497 -3.433 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.695 9.294 -4.607 1.00 0.00 C ATOM 652 CG2 VAL A2603 -3.344 8.704 -2.195 1.00 0.00 C ATOM 0 H VAL A2603 -6.105 8.667 -5.175 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.997 8.099 -2.365 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.170 7.443 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.650 9.039 -4.783 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -4.280 9.060 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.777 10.359 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -2.308 8.470 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -3.415 9.742 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -3.686 8.048 -1.394 1.00 0.00 H new ATOM 662 N ASP A2604 -6.294 10.285 -1.315 1.00 0.00 N ATOM 663 CA ASP A2604 -6.620 11.531 -0.658 1.00 0.00 C ATOM 664 C ASP A2604 -5.377 12.354 -0.493 1.00 0.00 C ATOM 665 O ASP A2604 -5.319 13.512 -0.910 1.00 0.00 O ATOM 666 CB ASP A2604 -7.276 11.271 0.708 1.00 0.00 C ATOM 667 CG ASP A2604 -7.663 12.550 1.424 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.596 13.235 0.969 1.00 0.00 O ATOM 669 OD2 ASP A2604 -7.023 12.905 2.436 1.00 0.00 O ATOM 0 H ASP A2604 -6.379 9.465 -0.714 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.332 12.078 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -8.164 10.655 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.589 10.703 1.334 1.00 0.00 H new