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= 0.293 K(o=0.31,f=-7.3!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= 0.0199 K(o=0.31,f=-2.2) USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 59:sc= 1.29 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc=-0.00687 K(o=-0.0069,f=-0.63) USER MOD Single : A2589 LYS NZ :NH3+ 166:sc= 1.16 (180deg=0.815) USER MOD Single : A2596 LYS NZ :NH3+ -162:sc= -0.0694 (180deg=-0.356) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.955 -1.938 1.959 1.00 0.00 N ATOM 33 CA PRO A2565 4.673 -2.659 2.091 1.00 0.00 C ATOM 34 C PRO A2565 3.863 -2.222 3.323 1.00 0.00 C ATOM 35 O PRO A2565 2.624 -2.278 3.324 1.00 0.00 O ATOM 36 CB PRO A2565 5.093 -4.133 2.215 1.00 0.00 C ATOM 37 CG PRO A2565 6.536 -4.103 2.598 1.00 0.00 C ATOM 38 CD PRO A2565 7.108 -2.861 1.984 1.00 0.00 C ATOM 0 HA PRO A2565 4.016 -2.460 1.244 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.497 -4.649 2.968 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.947 -4.664 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.650 -4.089 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A2565 7.054 -4.991 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.932 -2.461 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.496 -3.048 0.983 1.00 0.00 H new ATOM 46 N ASP A2566 4.566 -1.750 4.335 1.00 0.00 N ATOM 47 CA ASP A2566 3.948 -1.329 5.587 1.00 0.00 C ATOM 48 C ASP A2566 3.430 0.083 5.529 1.00 0.00 C ATOM 49 O ASP A2566 2.554 0.450 6.312 1.00 0.00 O ATOM 50 CB ASP A2566 4.922 -1.445 6.752 1.00 0.00 C ATOM 51 CG ASP A2566 5.211 -2.858 7.139 1.00 0.00 C ATOM 52 OD1 ASP A2566 4.472 -3.410 7.968 1.00 0.00 O ATOM 53 OD2 ASP A2566 6.189 -3.444 6.634 1.00 0.00 O ATOM 0 H ASP A2566 5.581 -1.646 4.317 1.00 0.00 H new ATOM 0 HA ASP A2566 3.104 -2.002 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.856 -0.949 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.513 -0.916 7.613 1.00 0.00 H new ATOM 58 N THR A2567 3.946 0.866 4.609 1.00 0.00 N ATOM 59 CA THR A2567 3.587 2.264 4.502 1.00 0.00 C ATOM 60 C THR A2567 2.095 2.423 4.217 1.00 0.00 C ATOM 61 O THR A2567 1.529 1.675 3.429 1.00 0.00 O ATOM 62 CB THR A2567 4.405 2.918 3.389 1.00 0.00 C ATOM 63 OG1 THR A2567 5.785 2.673 3.635 1.00 0.00 O ATOM 64 CG2 THR A2567 4.186 4.405 3.367 1.00 0.00 C ATOM 0 H THR A2567 4.625 0.554 3.915 1.00 0.00 H new ATOM 0 HA THR A2567 3.805 2.754 5.451 1.00 0.00 H new ATOM 0 HB THR A2567 4.093 2.498 2.433 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.322 3.086 2.927 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.779 4.848 2.567 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.130 4.615 3.196 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.490 4.832 4.323 1.00 0.00 H new ATOM 72 N ARG A2568 1.462 3.352 4.894 1.00 0.00 N ATOM 73 CA ARG A2568 0.058 3.576 4.696 1.00 0.00 C ATOM 74 C ARG A2568 -0.174 4.472 3.512 1.00 0.00 C ATOM 75 O ARG A2568 0.644 5.363 3.212 1.00 0.00 O ATOM 76 CB ARG A2568 -0.603 4.196 5.925 1.00 0.00 C ATOM 77 CG ARG A2568 -0.538 3.370 7.187 1.00 0.00 C ATOM 78 CD ARG A2568 -1.125 1.986 6.997 1.00 0.00 C ATOM 79 NE ARG A2568 -1.294 1.310 8.291 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.334 0.647 8.972 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.868 0.454 8.447 1.00 0.00 N ATOM 82 NH2 ARG A2568 -0.596 0.162 10.166 1.00 0.00 N ATOM 0 H ARG A2568 1.900 3.962 5.585 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.393 2.600 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.135 5.161 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.650 4.391 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.500 3.281 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.075 3.884 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.088 2.060 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.473 1.394 6.355 1.00 0.00 H new ATOM 0 HE ARG A2568 -2.222 1.345 8.714 1.00 0.00 H new ATOM 0 HH11 ARG A2568 1.080 0.808 7.514 1.00 0.00 H new ATOM 0 HH12 ARG A2568 1.581 -0.049 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.522 0.287 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A2568 0.127 -0.339 10.683 1.00 0.00 H new ATOM 96 N ILE A2569 -1.270 4.235 2.846 1.00 0.00 N ATOM 97 CA ILE A2569 -1.685 5.032 1.748 1.00 0.00 C ATOM 98 C ILE A2569 -3.073 5.549 2.115 1.00 0.00 C ATOM 99 O ILE A2569 -4.058 4.813 2.039 1.00 0.00 O ATOM 100 CB ILE A2569 -1.824 4.181 0.457 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.621 3.222 0.271 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.969 5.097 -0.762 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.707 3.897 0.001 1.00 0.00 C ATOM 0 H ILE A2569 -1.904 3.466 3.063 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.960 5.824 1.560 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.720 3.568 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.523 2.610 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.841 2.545 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.066 4.491 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.856 5.719 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.088 5.733 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.483 3.140 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.636 4.486 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.959 4.551 0.836 1.00 0.00 H new ATOM 115 N PRO A2570 -3.150 6.776 2.601 1.00 0.00 N ATOM 116 CA PRO A2570 -4.414 7.409 2.949 1.00 0.00 C ATOM 117 C PRO A2570 -5.256 7.729 1.714 1.00 0.00 C ATOM 118 O PRO A2570 -5.013 8.705 0.993 1.00 0.00 O ATOM 119 CB PRO A2570 -4.006 8.681 3.703 1.00 0.00 C ATOM 120 CG PRO A2570 -2.550 8.518 3.983 1.00 0.00 C ATOM 121 CD PRO A2570 -2.016 7.609 2.924 1.00 0.00 C ATOM 0 HA PRO A2570 -5.046 6.755 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.195 9.572 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -4.575 8.791 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.040 9.481 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -2.390 8.095 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.665 8.166 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.174 7.020 3.287 1.00 0.00 H new ATOM 129 N VAL A2571 -6.211 6.885 1.459 1.00 0.00 N ATOM 130 CA VAL A2571 -7.066 7.007 0.311 1.00 0.00 C ATOM 131 C VAL A2571 -8.497 7.301 0.722 1.00 0.00 C ATOM 132 O VAL A2571 -8.876 7.130 1.891 1.00 0.00 O ATOM 133 CB VAL A2571 -7.025 5.736 -0.581 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.652 5.565 -1.208 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.375 4.498 0.227 1.00 0.00 C ATOM 0 H VAL A2571 -6.423 6.081 2.049 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.687 7.845 -0.274 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.764 5.861 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.645 4.669 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.422 6.435 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.903 5.468 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.340 3.620 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.659 4.380 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.378 4.605 0.640 1.00 0.00 H new ATOM 145 N ILE A2572 -9.278 7.731 -0.224 1.00 0.00 N ATOM 146 CA ILE A2572 -10.651 8.065 0.005 1.00 0.00 C ATOM 147 C ILE A2572 -11.483 7.588 -1.178 1.00 0.00 C ATOM 148 O ILE A2572 -10.971 7.406 -2.270 1.00 0.00 O ATOM 149 CB ILE A2572 -10.838 9.617 0.207 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.310 9.957 0.529 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.345 10.401 -1.016 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.601 11.419 0.762 1.00 0.00 C ATOM 0 H ILE A2572 -8.975 7.861 -1.189 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.983 7.570 0.918 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.228 9.918 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.934 9.606 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.608 9.399 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.488 11.468 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.286 10.197 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.910 10.095 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.661 11.549 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.011 11.778 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.342 11.988 -0.131 1.00 0.00 H new ATOM 164 N ASN A2573 -12.716 7.325 -0.944 1.00 0.00 N ATOM 165 CA ASN A2573 -13.639 7.002 -1.982 1.00 0.00 C ATOM 166 C ASN A2573 -14.581 8.169 -2.077 1.00 0.00 C ATOM 167 O ASN A2573 -15.375 8.398 -1.163 1.00 0.00 O ATOM 168 CB ASN A2573 -14.414 5.746 -1.638 1.00 0.00 C ATOM 169 CG ASN A2573 -15.295 5.241 -2.772 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.827 6.008 -3.576 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.461 3.962 -2.833 1.00 0.00 N ATOM 0 H ASN A2573 -13.125 7.327 -0.010 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.121 6.818 -2.923 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.711 4.961 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.037 5.942 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.048 3.558 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.006 3.356 -2.151 1.00 0.00 H new ATOM 178 N LEU A2574 -14.489 8.901 -3.154 1.00 0.00 N ATOM 179 CA LEU A2574 -15.267 10.126 -3.321 1.00 0.00 C ATOM 180 C LEU A2574 -16.733 9.833 -3.541 1.00 0.00 C ATOM 181 O LEU A2574 -17.598 10.607 -3.123 1.00 0.00 O ATOM 182 CB LEU A2574 -14.732 10.988 -4.472 1.00 0.00 C ATOM 183 CG LEU A2574 -13.295 11.497 -4.339 1.00 0.00 C ATOM 184 CD1 LEU A2574 -12.942 12.388 -5.517 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.095 12.242 -3.028 1.00 0.00 C ATOM 0 H LEU A2574 -13.881 8.678 -3.942 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.161 10.686 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.804 10.409 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.389 11.850 -4.585 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.628 10.635 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -11.917 12.743 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.035 11.821 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.621 13.241 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.065 12.592 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.771 13.096 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.305 11.573 -2.194 1.00 0.00 H new ATOM 197 N GLU A2575 -17.015 8.715 -4.158 1.00 0.00 N ATOM 198 CA GLU A2575 -18.372 8.354 -4.459 1.00 0.00 C ATOM 199 C GLU A2575 -19.079 7.854 -3.221 1.00 0.00 C ATOM 200 O GLU A2575 -20.216 8.225 -2.947 1.00 0.00 O ATOM 201 CB GLU A2575 -18.407 7.315 -5.573 1.00 0.00 C ATOM 202 CG GLU A2575 -17.804 7.822 -6.872 1.00 0.00 C ATOM 203 CD GLU A2575 -18.549 9.015 -7.425 1.00 0.00 C ATOM 204 OE1 GLU A2575 -18.282 10.164 -7.000 1.00 0.00 O ATOM 205 OE2 GLU A2575 -19.440 8.832 -8.273 1.00 0.00 O ATOM 0 H GLU A2575 -16.317 8.036 -4.463 1.00 0.00 H new ATOM 0 HA GLU A2575 -18.901 9.241 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -17.867 6.425 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.440 7.014 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -16.762 8.094 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -17.809 7.020 -7.610 1.00 0.00 H new ATOM 212 N ASP A2576 -18.389 7.056 -2.452 1.00 0.00 N ATOM 213 CA ASP A2576 -18.967 6.475 -1.255 1.00 0.00 C ATOM 214 C ASP A2576 -18.978 7.492 -0.126 1.00 0.00 C ATOM 215 O ASP A2576 -20.020 7.782 0.462 1.00 0.00 O ATOM 216 CB ASP A2576 -18.179 5.246 -0.825 1.00 0.00 C ATOM 217 CG ASP A2576 -18.814 4.522 0.333 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.642 4.952 1.483 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.474 3.487 0.107 1.00 0.00 O ATOM 0 H ASP A2576 -17.421 6.788 -2.628 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.992 6.179 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.090 4.563 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.168 5.546 -0.550 1.00 0.00 H new ATOM 224 N GLY A2577 -17.827 8.060 0.137 1.00 0.00 N ATOM 225 CA GLY A2577 -17.694 8.996 1.218 1.00 0.00 C ATOM 226 C GLY A2577 -16.709 8.513 2.260 1.00 0.00 C ATOM 227 O GLY A2577 -16.320 9.270 3.153 1.00 0.00 O ATOM 0 H GLY A2577 -16.968 7.888 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -17.366 9.959 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.667 9.155 1.683 1.00 0.00 H new ATOM 231 N THR A2578 -16.299 7.256 2.141 1.00 0.00 N ATOM 232 CA THR A2578 -15.376 6.656 3.030 1.00 0.00 C ATOM 233 C THR A2578 -13.957 7.253 2.816 1.00 0.00 C ATOM 234 O THR A2578 -13.563 7.480 1.681 1.00 0.00 O ATOM 235 CB THR A2578 -15.350 5.151 2.732 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.618 4.538 3.010 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.315 4.499 3.527 1.00 0.00 C ATOM 0 H THR A2578 -16.620 6.632 1.400 1.00 0.00 H new ATOM 0 HA THR A2578 -15.674 6.842 4.062 1.00 0.00 H new ATOM 0 HB THR A2578 -15.133 5.029 1.671 1.00 0.00 H new ATOM 0 HG1 THR A2578 -17.313 4.961 2.464 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.306 3.431 3.307 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.344 4.928 3.282 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.521 4.650 4.587 1.00 0.00 H new ATOM 245 N ARG A2579 -13.192 7.421 3.890 1.00 0.00 N ATOM 246 CA ARG A2579 -11.888 8.012 3.847 1.00 0.00 C ATOM 247 C ARG A2579 -11.073 7.290 4.856 1.00 0.00 C ATOM 248 O ARG A2579 -11.511 7.127 5.989 1.00 0.00 O ATOM 249 CB ARG A2579 -11.907 9.493 4.212 1.00 0.00 C ATOM 250 CG ARG A2579 -10.546 10.138 4.020 1.00 0.00 C ATOM 251 CD ARG A2579 -10.487 11.573 4.500 1.00 0.00 C ATOM 252 NE ARG A2579 -11.562 12.395 3.954 1.00 0.00 N ATOM 253 CZ ARG A2579 -11.399 13.514 3.244 1.00 0.00 C ATOM 254 NH1 ARG A2579 -10.188 13.885 2.806 1.00 0.00 N ATOM 255 NH2 ARG A2579 -12.465 14.239 2.918 1.00 0.00 N ATOM 0 H ARG A2579 -13.481 7.139 4.827 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.489 7.935 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.644 10.010 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.221 9.608 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.797 9.553 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.283 10.105 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -10.540 11.590 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -9.527 12.006 4.220 1.00 0.00 H new ATOM 0 HE ARG A2579 -12.519 12.089 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.372 13.309 3.014 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -10.082 14.743 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -13.395 13.938 3.210 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -12.353 15.096 2.376 1.00 0.00 H new ATOM 269 N LEU A2580 -9.937 6.827 4.465 1.00 0.00 N ATOM 270 CA LEU A2580 -9.128 6.044 5.338 1.00 0.00 C ATOM 271 C LEU A2580 -7.766 6.659 5.404 1.00 0.00 C ATOM 272 O LEU A2580 -6.978 6.534 4.467 1.00 0.00 O ATOM 273 CB LEU A2580 -9.025 4.583 4.836 1.00 0.00 C ATOM 274 CG LEU A2580 -10.346 3.832 4.531 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.357 3.921 5.658 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.928 4.240 3.186 1.00 0.00 C ATOM 0 H LEU A2580 -9.542 6.978 3.537 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.582 6.025 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.421 4.582 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.478 4.009 5.584 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.090 2.775 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.259 3.375 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.932 3.486 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.607 4.966 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.853 3.692 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.135 5.310 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.213 4.011 2.396 1.00 0.00 H new ATOM 288 N VAL A2581 -7.509 7.372 6.463 1.00 0.00 N ATOM 289 CA VAL A2581 -6.240 8.025 6.638 1.00 0.00 C ATOM 290 C VAL A2581 -5.586 7.572 7.939 1.00 0.00 C ATOM 291 O VAL A2581 -6.249 6.992 8.811 1.00 0.00 O ATOM 292 CB VAL A2581 -6.339 9.591 6.589 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.895 10.080 5.257 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.175 10.131 7.729 1.00 0.00 C ATOM 0 H VAL A2581 -8.169 7.518 7.227 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.617 7.728 5.794 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.323 9.971 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.948 11.169 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.242 9.753 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.893 9.669 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.222 11.218 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.183 9.720 7.668 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.724 9.844 8.679 1.00 0.00 H new ATOM 304 N GLY A2582 -4.301 7.805 8.048 1.00 0.00 N ATOM 305 CA GLY A2582 -3.564 7.454 9.231 1.00 0.00 C ATOM 306 C GLY A2582 -3.345 5.981 9.331 1.00 0.00 C ATOM 307 O GLY A2582 -2.939 5.343 8.365 1.00 0.00 O ATOM 0 H GLY A2582 -3.739 8.243 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.601 7.965 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -4.103 7.802 10.112 1.00 0.00 H new ATOM 311 N GLU A2583 -3.662 5.433 10.473 1.00 0.00 N ATOM 312 CA GLU A2583 -3.502 4.015 10.724 1.00 0.00 C ATOM 313 C GLU A2583 -4.588 3.255 10.000 1.00 0.00 C ATOM 314 O GLU A2583 -4.391 2.122 9.569 1.00 0.00 O ATOM 315 CB GLU A2583 -3.648 3.735 12.201 1.00 0.00 C ATOM 316 CG GLU A2583 -2.698 4.479 13.095 1.00 0.00 C ATOM 317 CD GLU A2583 -2.961 4.160 14.532 1.00 0.00 C ATOM 318 OE1 GLU A2583 -2.518 3.107 15.004 1.00 0.00 O ATOM 319 OE2 GLU A2583 -3.642 4.938 15.220 1.00 0.00 O ATOM 0 H GLU A2583 -4.041 5.955 11.263 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.516 3.706 10.378 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.668 3.978 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.513 2.666 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -1.671 4.216 12.841 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.802 5.552 12.931 1.00 0.00 H new ATOM 326 N ASP A2584 -5.719 3.925 9.833 1.00 0.00 N ATOM 327 CA ASP A2584 -6.920 3.336 9.250 1.00 0.00 C ATOM 328 C ASP A2584 -6.792 3.214 7.757 1.00 0.00 C ATOM 329 O ASP A2584 -7.621 2.573 7.098 1.00 0.00 O ATOM 330 CB ASP A2584 -8.157 4.163 9.609 1.00 0.00 C ATOM 331 CG ASP A2584 -8.365 4.257 11.098 1.00 0.00 C ATOM 332 OD1 ASP A2584 -7.781 5.165 11.739 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.085 3.422 11.672 1.00 0.00 O ATOM 0 H ASP A2584 -5.832 4.903 10.101 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.036 2.335 9.666 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.055 5.166 9.194 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.038 3.716 9.148 1.00 0.00 H new ATOM 338 N ALA A2585 -5.762 3.819 7.230 1.00 0.00 N ATOM 339 CA ALA A2585 -5.452 3.743 5.837 1.00 0.00 C ATOM 340 C ALA A2585 -4.885 2.365 5.524 1.00 0.00 C ATOM 341 O ALA A2585 -4.235 1.745 6.385 1.00 0.00 O ATOM 342 CB ALA A2585 -4.443 4.811 5.489 1.00 0.00 C ATOM 0 H ALA A2585 -5.107 4.386 7.769 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.355 3.901 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.205 4.755 4.427 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.859 5.793 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.535 4.658 6.073 1.00 0.00 H new ATOM 348 N PRO A2586 -5.152 1.839 4.331 1.00 0.00 N ATOM 349 CA PRO A2586 -4.609 0.559 3.918 1.00 0.00 C ATOM 350 C PRO A2586 -3.092 0.633 3.731 1.00 0.00 C ATOM 351 O PRO A2586 -2.532 1.706 3.403 1.00 0.00 O ATOM 352 CB PRO A2586 -5.306 0.273 2.579 1.00 0.00 C ATOM 353 CG PRO A2586 -5.721 1.609 2.073 1.00 0.00 C ATOM 354 CD PRO A2586 -6.007 2.440 3.291 1.00 0.00 C ATOM 0 HA PRO A2586 -4.780 -0.221 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.632 -0.223 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.166 -0.384 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.934 2.060 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.604 1.529 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.761 3.489 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.061 2.399 3.566 1.00 0.00 H new ATOM 362 N LYS A2587 -2.425 -0.464 3.994 1.00 0.00 N ATOM 363 CA LYS A2587 -1.001 -0.549 3.795 1.00 0.00 C ATOM 364 C LYS A2587 -0.721 -0.677 2.309 1.00 0.00 C ATOM 365 O LYS A2587 -1.563 -1.160 1.567 1.00 0.00 O ATOM 366 CB LYS A2587 -0.433 -1.750 4.545 1.00 0.00 C ATOM 367 CG LYS A2587 -0.727 -1.730 6.030 1.00 0.00 C ATOM 368 CD LYS A2587 -0.175 -2.954 6.724 1.00 0.00 C ATOM 369 CE LYS A2587 -0.621 -2.997 8.173 1.00 0.00 C ATOM 370 NZ LYS A2587 -0.088 -4.173 8.886 1.00 0.00 N ATOM 0 H LYS A2587 -2.852 -1.319 4.350 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.523 0.351 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -0.842 -2.664 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.646 -1.783 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.295 -0.833 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.804 -1.677 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.512 -3.853 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A2587 0.914 -2.946 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.294 -2.089 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.710 -3.011 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -0.419 -4.161 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -0.420 -5.041 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 0.952 -4.147 8.869 1.00 0.00 H new ATOM 384 N ASN A2588 0.451 -0.268 1.897 1.00 0.00 N ATOM 385 CA ASN A2588 0.875 -0.282 0.483 1.00 0.00 C ATOM 386 C ASN A2588 0.765 -1.675 -0.144 1.00 0.00 C ATOM 387 O ASN A2588 0.456 -1.818 -1.334 1.00 0.00 O ATOM 388 CB ASN A2588 2.302 0.268 0.362 1.00 0.00 C ATOM 389 CG ASN A2588 2.845 0.280 -1.072 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.649 1.236 -1.819 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.565 -0.756 -1.445 1.00 0.00 N ATOM 0 H ASN A2588 1.164 0.094 2.530 1.00 0.00 H new ATOM 0 HA ASN A2588 0.196 0.362 -0.075 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.324 1.284 0.757 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.966 -0.331 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A2588 3.978 -0.781 -2.377 1.00 0.00 H new ATOM 0 HD22 ASN A2588 3.710 -1.535 -0.802 1.00 0.00 H new ATOM 398 N LYS A2589 0.976 -2.698 0.669 1.00 0.00 N ATOM 399 CA LYS A2589 0.869 -4.079 0.209 1.00 0.00 C ATOM 400 C LYS A2589 -0.606 -4.476 -0.024 1.00 0.00 C ATOM 401 O LYS A2589 -0.915 -5.280 -0.901 1.00 0.00 O ATOM 402 CB LYS A2589 1.545 -5.031 1.213 1.00 0.00 C ATOM 403 CG LYS A2589 0.948 -4.978 2.612 1.00 0.00 C ATOM 404 CD LYS A2589 1.717 -5.832 3.597 1.00 0.00 C ATOM 405 CE LYS A2589 1.070 -5.797 4.972 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.286 -6.396 4.987 1.00 0.00 N ATOM 0 H LYS A2589 1.223 -2.600 1.654 1.00 0.00 H new ATOM 0 HA LYS A2589 1.387 -4.162 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.473 -6.051 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.606 -4.787 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.937 -3.945 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.088 -5.313 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.758 -6.860 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A2589 2.745 -5.477 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A2589 1.705 -6.329 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.009 -4.764 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -0.581 -6.562 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.957 -5.747 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -0.272 -7.300 4.472 1.00 0.00 H new ATOM 420 N ASP A2590 -1.502 -3.882 0.741 1.00 0.00 N ATOM 421 CA ASP A2590 -2.941 -4.179 0.651 1.00 0.00 C ATOM 422 C ASP A2590 -3.646 -3.210 -0.270 1.00 0.00 C ATOM 423 O ASP A2590 -4.813 -3.404 -0.614 1.00 0.00 O ATOM 424 CB ASP A2590 -3.609 -4.126 2.030 1.00 0.00 C ATOM 425 CG ASP A2590 -3.210 -5.255 2.947 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.066 -5.287 3.419 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.050 -6.141 3.222 1.00 0.00 O ATOM 0 H ASP A2590 -1.266 -3.181 1.443 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.028 -5.188 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.360 -3.178 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.691 -4.142 1.899 1.00 0.00 H new ATOM 432 N LEU A2591 -2.931 -2.170 -0.667 1.00 0.00 N ATOM 433 CA LEU A2591 -3.447 -1.113 -1.530 1.00 0.00 C ATOM 434 C LEU A2591 -4.074 -1.693 -2.792 1.00 0.00 C ATOM 435 O LEU A2591 -5.220 -1.419 -3.103 1.00 0.00 O ATOM 436 CB LEU A2591 -2.312 -0.156 -1.908 1.00 0.00 C ATOM 437 CG LEU A2591 -2.688 1.043 -2.777 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.609 1.992 -2.029 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.442 1.756 -3.281 1.00 0.00 C ATOM 0 H LEU A2591 -1.958 -2.032 -0.395 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.219 -0.570 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.861 0.218 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.544 -0.727 -2.430 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.234 0.676 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.861 2.836 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.521 1.466 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.107 2.355 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.734 2.606 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.855 2.107 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.843 1.066 -3.875 1.00 0.00 H new ATOM 451 N VAL A2592 -3.323 -2.545 -3.462 1.00 0.00 N ATOM 452 CA VAL A2592 -3.751 -3.180 -4.710 1.00 0.00 C ATOM 453 C VAL A2592 -5.083 -3.938 -4.560 1.00 0.00 C ATOM 454 O VAL A2592 -5.914 -3.936 -5.466 1.00 0.00 O ATOM 455 CB VAL A2592 -2.660 -4.129 -5.251 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.433 -3.334 -5.673 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.276 -5.156 -4.195 1.00 0.00 C ATOM 0 H VAL A2592 -2.390 -2.824 -3.160 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.911 -2.375 -5.427 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.059 -4.653 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.671 -4.015 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.709 -2.626 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.039 -2.791 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.506 -5.817 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.894 -4.644 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.153 -5.743 -3.923 1.00 0.00 H new ATOM 467 N GLU A2593 -5.287 -4.529 -3.402 1.00 0.00 N ATOM 468 CA GLU A2593 -6.482 -5.273 -3.103 1.00 0.00 C ATOM 469 C GLU A2593 -7.651 -4.332 -2.921 1.00 0.00 C ATOM 470 O GLU A2593 -8.711 -4.525 -3.512 1.00 0.00 O ATOM 471 CB GLU A2593 -6.263 -6.096 -1.846 1.00 0.00 C ATOM 472 CG GLU A2593 -5.226 -7.191 -2.001 1.00 0.00 C ATOM 473 CD GLU A2593 -5.668 -8.239 -2.987 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.450 -9.138 -2.593 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.266 -8.193 -4.165 1.00 0.00 O ATOM 0 H GLU A2593 -4.616 -4.503 -2.635 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.708 -5.943 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.958 -5.432 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.210 -6.546 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.283 -6.755 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.041 -7.657 -1.033 1.00 0.00 H new ATOM 482 N TRP A2594 -7.426 -3.275 -2.154 1.00 0.00 N ATOM 483 CA TRP A2594 -8.461 -2.293 -1.858 1.00 0.00 C ATOM 484 C TRP A2594 -8.910 -1.615 -3.155 1.00 0.00 C ATOM 485 O TRP A2594 -10.087 -1.328 -3.349 1.00 0.00 O ATOM 486 CB TRP A2594 -7.922 -1.253 -0.862 1.00 0.00 C ATOM 487 CG TRP A2594 -8.990 -0.445 -0.185 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.686 -0.810 0.931 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.485 0.857 -0.551 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.578 0.167 1.274 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.477 1.196 0.390 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.200 1.770 -1.575 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.174 2.395 0.341 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.898 2.955 -1.606 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.872 3.258 -0.655 1.00 0.00 C ATOM 0 H TRP A2594 -6.525 -3.074 -1.721 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.320 -2.791 -1.408 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.332 -1.765 -0.102 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.248 -0.577 -1.388 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.551 -1.738 1.466 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.218 0.130 2.067 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.451 1.549 -2.321 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.932 2.631 1.073 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.686 3.670 -2.388 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.395 4.201 -0.715 1.00 0.00 H new ATOM 506 N LEU A2595 -7.961 -1.426 -4.054 1.00 0.00 N ATOM 507 CA LEU A2595 -8.209 -0.823 -5.368 1.00 0.00 C ATOM 508 C LEU A2595 -9.112 -1.693 -6.222 1.00 0.00 C ATOM 509 O LEU A2595 -9.911 -1.189 -7.010 1.00 0.00 O ATOM 510 CB LEU A2595 -6.886 -0.567 -6.081 1.00 0.00 C ATOM 511 CG LEU A2595 -6.188 0.775 -5.805 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.285 1.195 -4.344 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.739 0.671 -6.211 1.00 0.00 C ATOM 0 H LEU A2595 -6.987 -1.686 -3.900 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.722 0.126 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.197 -1.368 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -7.060 -0.643 -7.154 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.697 1.540 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.776 2.149 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.333 1.299 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.815 0.438 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.238 1.620 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.256 -0.118 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.675 0.437 -7.274 1.00 0.00 H new ATOM 525 N LYS A2596 -8.984 -2.996 -6.064 1.00 0.00 N ATOM 526 CA LYS A2596 -9.833 -3.945 -6.778 1.00 0.00 C ATOM 527 C LYS A2596 -11.271 -3.849 -6.301 1.00 0.00 C ATOM 528 O LYS A2596 -12.205 -4.159 -7.042 1.00 0.00 O ATOM 529 CB LYS A2596 -9.318 -5.370 -6.632 1.00 0.00 C ATOM 530 CG LYS A2596 -8.007 -5.620 -7.340 1.00 0.00 C ATOM 531 CD LYS A2596 -7.529 -7.036 -7.102 1.00 0.00 C ATOM 532 CE LYS A2596 -6.281 -7.342 -7.906 1.00 0.00 C ATOM 533 NZ LYS A2596 -6.531 -7.253 -9.367 1.00 0.00 N ATOM 0 H LYS A2596 -8.298 -3.429 -5.445 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.801 -3.683 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.197 -5.596 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -10.068 -6.059 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -8.127 -5.447 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.256 -4.914 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.324 -7.179 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.318 -7.738 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.490 -6.645 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.925 -8.342 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -5.775 -7.751 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -7.447 -7.692 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.546 -6.254 -9.656 1.00 0.00 H new ATOM 547 N LEU A2597 -11.452 -3.447 -5.063 1.00 0.00 N ATOM 548 CA LEU A2597 -12.777 -3.223 -4.543 1.00 0.00 C ATOM 549 C LEU A2597 -13.282 -1.841 -4.929 1.00 0.00 C ATOM 550 O LEU A2597 -14.471 -1.666 -5.231 1.00 0.00 O ATOM 551 CB LEU A2597 -12.836 -3.389 -3.010 1.00 0.00 C ATOM 552 CG LEU A2597 -12.830 -4.815 -2.430 1.00 0.00 C ATOM 553 CD1 LEU A2597 -14.015 -5.620 -2.932 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.527 -5.547 -2.687 1.00 0.00 C ATOM 0 H LEU A2597 -10.697 -3.269 -4.400 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.422 -3.981 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.987 -2.853 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.738 -2.890 -2.656 1.00 0.00 H new ATOM 0 HG LEU A2597 -12.922 -4.708 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -13.982 -6.622 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -14.941 -5.129 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.974 -5.688 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.580 -6.547 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.358 -5.624 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.705 -4.998 -2.229 1.00 0.00 H new ATOM 566 N HIS A2598 -12.390 -0.869 -4.965 1.00 0.00 N ATOM 567 CA HIS A2598 -12.789 0.512 -5.190 1.00 0.00 C ATOM 568 C HIS A2598 -12.062 1.169 -6.345 1.00 0.00 C ATOM 569 O HIS A2598 -11.088 1.876 -6.141 1.00 0.00 O ATOM 570 CB HIS A2598 -12.603 1.362 -3.923 1.00 0.00 C ATOM 571 CG HIS A2598 -13.405 0.855 -2.751 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.768 1.027 -2.617 1.00 0.00 N ATOM 573 CD2 HIS A2598 -13.019 0.130 -1.677 1.00 0.00 C ATOM 574 CE1 HIS A2598 -15.155 0.416 -1.496 1.00 0.00 C ATOM 575 NE2 HIS A2598 -14.129 -0.147 -0.886 1.00 0.00 N ATOM 0 H HIS A2598 -11.387 -1.007 -4.842 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.846 0.467 -5.451 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.547 1.377 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.893 2.391 -4.137 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -12.008 -0.185 -1.466 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -16.173 0.386 -1.136 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -14.146 -0.676 -0.014 1.00 0.00 H new ATOM 583 N PRO A2599 -12.515 0.955 -7.591 1.00 0.00 N ATOM 584 CA PRO A2599 -11.928 1.631 -8.756 1.00 0.00 C ATOM 585 C PRO A2599 -12.332 3.111 -8.772 1.00 0.00 C ATOM 586 O PRO A2599 -11.723 3.942 -9.445 1.00 0.00 O ATOM 587 CB PRO A2599 -12.547 0.888 -9.948 1.00 0.00 C ATOM 588 CG PRO A2599 -13.822 0.316 -9.429 1.00 0.00 C ATOM 589 CD PRO A2599 -13.592 0.018 -7.974 1.00 0.00 C ATOM 0 HA PRO A2599 -10.838 1.610 -8.762 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.729 1.565 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.883 0.104 -10.312 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.644 1.021 -9.556 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.091 -0.589 -9.973 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.494 0.182 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.294 -1.019 -7.820 1.00 0.00 H new ATOM 597 N THR A2600 -13.327 3.413 -7.962 1.00 0.00 N ATOM 598 CA THR A2600 -13.927 4.713 -7.822 1.00 0.00 C ATOM 599 C THR A2600 -13.246 5.518 -6.714 1.00 0.00 C ATOM 600 O THR A2600 -13.774 6.531 -6.234 1.00 0.00 O ATOM 601 CB THR A2600 -15.396 4.490 -7.445 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.450 3.444 -6.439 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.197 4.051 -8.654 1.00 0.00 C ATOM 0 H THR A2600 -13.757 2.716 -7.354 1.00 0.00 H new ATOM 0 HA THR A2600 -13.825 5.271 -8.753 1.00 0.00 H new ATOM 0 HB THR A2600 -15.819 5.421 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.382 3.286 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.237 3.898 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.144 4.820 -9.425 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.787 3.119 -9.043 1.00 0.00 H new ATOM 611 N TYR A2601 -12.069 5.089 -6.318 1.00 0.00 N ATOM 612 CA TYR A2601 -11.398 5.730 -5.232 1.00 0.00 C ATOM 613 C TYR A2601 -10.552 6.910 -5.738 1.00 0.00 C ATOM 614 O TYR A2601 -10.487 7.185 -6.945 1.00 0.00 O ATOM 615 CB TYR A2601 -10.520 4.721 -4.468 1.00 0.00 C ATOM 616 CG TYR A2601 -9.139 4.503 -5.046 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.952 4.026 -6.331 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.024 4.823 -4.301 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.699 3.868 -6.848 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.768 4.681 -4.807 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.599 4.201 -6.085 1.00 0.00 C ATOM 622 OH TYR A2601 -5.329 4.080 -6.612 1.00 0.00 O ATOM 0 H TYR A2601 -11.567 4.304 -6.734 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.150 6.119 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.416 5.061 -3.438 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.039 3.763 -4.436 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.811 3.775 -6.935 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.149 5.194 -3.295 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.569 3.484 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.909 4.944 -4.208 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.669 4.357 -5.942 1.00 0.00 H new ATOM 632 N THR A2602 -9.948 7.595 -4.822 1.00 0.00 N ATOM 633 CA THR A2602 -9.055 8.686 -5.064 1.00 0.00 C ATOM 634 C THR A2602 -8.027 8.694 -3.929 1.00 0.00 C ATOM 635 O THR A2602 -8.357 8.336 -2.795 1.00 0.00 O ATOM 636 CB THR A2602 -9.857 10.015 -5.101 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.795 9.959 -6.188 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.958 11.239 -5.269 1.00 0.00 C ATOM 0 H THR A2602 -10.070 7.399 -3.829 1.00 0.00 H new ATOM 0 HA THR A2602 -8.547 8.579 -6.023 1.00 0.00 H new ATOM 0 HB THR A2602 -10.370 10.121 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.952 10.863 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.571 12.140 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.258 11.294 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.403 11.157 -6.204 1.00 0.00 H new ATOM 646 N VAL A2603 -6.800 9.019 -4.224 1.00 0.00 N ATOM 647 CA VAL A2603 -5.784 9.074 -3.203 1.00 0.00 C ATOM 648 C VAL A2603 -5.911 10.406 -2.476 1.00 0.00 C ATOM 649 O VAL A2603 -5.859 11.464 -3.105 1.00 0.00 O ATOM 650 CB VAL A2603 -4.362 8.915 -3.803 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.307 8.942 -2.717 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.260 7.617 -4.591 1.00 0.00 C ATOM 0 H VAL A2603 -6.476 9.251 -5.163 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.928 8.247 -2.507 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.187 9.755 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.320 8.829 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.357 9.892 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.484 8.125 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.256 7.521 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.462 6.774 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.988 7.626 -5.402 1.00 0.00 H new ATOM 662 N ASP A2604 -6.102 10.362 -1.173 1.00 0.00 N ATOM 663 CA ASP A2604 -6.288 11.584 -0.401 1.00 0.00 C ATOM 664 C ASP A2604 -4.931 12.162 -0.070 1.00 0.00 C ATOM 665 O ASP A2604 -4.648 13.330 -0.339 1.00 0.00 O ATOM 666 CB ASP A2604 -7.108 11.325 0.871 1.00 0.00 C ATOM 667 CG ASP A2604 -7.482 12.606 1.591 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.553 13.664 0.945 1.00 0.00 O ATOM 669 OD2 ASP A2604 -7.737 12.578 2.806 1.00 0.00 O ATOM 0 H ASP A2604 -6.133 9.502 -0.625 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.853 12.302 -0.996 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -8.015 10.780 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.536 10.687 1.545 1.00 0.00 H new