USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 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= 0.229 K(o=0.23,f=-8.8!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= 0 X(o=0.23,f=-0.00057) USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ -168:sc= -0.0104 (180deg=-0.217) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.109 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 5.757 -2.439 2.965 1.00 0.00 N ATOM 33 CA PRO A2565 4.407 -3.027 2.836 1.00 0.00 C ATOM 34 C PRO A2565 3.476 -2.532 3.944 1.00 0.00 C ATOM 35 O PRO A2565 2.246 -2.544 3.804 1.00 0.00 O ATOM 36 CB PRO A2565 4.652 -4.541 2.976 1.00 0.00 C ATOM 37 CG PRO A2565 6.005 -4.666 3.599 1.00 0.00 C ATOM 38 CD PRO A2565 6.793 -3.479 3.126 1.00 0.00 C ATOM 0 HA PRO A2565 3.925 -2.755 1.897 1.00 0.00 H new ATOM 0 HB2 PRO A2565 3.888 -5.007 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.619 -5.036 2.006 1.00 0.00 H new ATOM 0 HG2 PRO A2565 5.934 -4.678 4.687 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.487 -5.597 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.553 -3.184 3.850 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.309 -3.684 2.188 1.00 0.00 H new ATOM 46 N ASP A2566 4.087 -2.063 5.016 1.00 0.00 N ATOM 47 CA ASP A2566 3.382 -1.566 6.175 1.00 0.00 C ATOM 48 C ASP A2566 3.031 -0.078 6.020 1.00 0.00 C ATOM 49 O ASP A2566 2.124 0.406 6.666 1.00 0.00 O ATOM 50 CB ASP A2566 4.228 -1.801 7.434 1.00 0.00 C ATOM 51 CG ASP A2566 3.521 -1.405 8.711 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.568 -2.117 9.132 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.905 -0.407 9.331 1.00 0.00 O ATOM 0 H ASP A2566 5.102 -2.017 5.104 1.00 0.00 H new ATOM 0 HA ASP A2566 2.443 -2.112 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.500 -2.855 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.156 -1.236 7.350 1.00 0.00 H new ATOM 58 N THR A2567 3.733 0.627 5.122 1.00 0.00 N ATOM 59 CA THR A2567 3.488 2.060 4.875 1.00 0.00 C ATOM 60 C THR A2567 1.999 2.287 4.559 1.00 0.00 C ATOM 61 O THR A2567 1.430 1.579 3.739 1.00 0.00 O ATOM 62 CB THR A2567 4.365 2.553 3.689 1.00 0.00 C ATOM 63 OG1 THR A2567 5.764 2.356 4.002 1.00 0.00 O ATOM 64 CG2 THR A2567 4.121 4.022 3.356 1.00 0.00 C ATOM 0 H THR A2567 4.479 0.229 4.551 1.00 0.00 H new ATOM 0 HA THR A2567 3.753 2.626 5.768 1.00 0.00 H new ATOM 0 HB THR A2567 4.085 1.967 2.814 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.314 2.666 3.252 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.757 4.316 2.522 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.075 4.164 3.083 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.356 4.636 4.226 1.00 0.00 H new ATOM 72 N ARG A2568 1.381 3.221 5.242 1.00 0.00 N ATOM 73 CA ARG A2568 -0.040 3.453 5.071 1.00 0.00 C ATOM 74 C ARG A2568 -0.265 4.336 3.887 1.00 0.00 C ATOM 75 O ARG A2568 0.486 5.306 3.668 1.00 0.00 O ATOM 76 CB ARG A2568 -0.661 4.125 6.281 1.00 0.00 C ATOM 77 CG ARG A2568 -0.365 3.486 7.609 1.00 0.00 C ATOM 78 CD ARG A2568 -0.747 2.019 7.680 1.00 0.00 C ATOM 79 NE ARG A2568 -0.540 1.546 9.076 1.00 0.00 N ATOM 80 CZ ARG A2568 0.007 0.398 9.491 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.529 -0.433 8.643 1.00 0.00 N ATOM 82 NH2 ARG A2568 0.077 0.143 10.790 1.00 0.00 N ATOM 0 H ARG A2568 1.835 3.833 5.920 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.508 2.478 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.320 5.160 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.742 4.150 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.700 3.586 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.897 4.029 8.390 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -1.787 1.883 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.140 1.435 6.988 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.856 2.179 9.811 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.526 -0.214 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A2568 0.943 -1.305 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -0.284 0.819 11.463 1.00 0.00 H new ATOM 0 HH22 ARG A2568 0.492 -0.729 11.117 1.00 0.00 H new ATOM 96 N ILE A2569 -1.271 4.027 3.134 1.00 0.00 N ATOM 97 CA ILE A2569 -1.592 4.778 1.963 1.00 0.00 C ATOM 98 C ILE A2569 -2.965 5.429 2.157 1.00 0.00 C ATOM 99 O ILE A2569 -3.991 4.760 2.059 1.00 0.00 O ATOM 100 CB ILE A2569 -1.629 3.853 0.726 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.358 2.962 0.683 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.757 4.686 -0.553 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.951 3.717 0.476 1.00 0.00 C ATOM 0 H ILE A2569 -1.897 3.242 3.315 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.832 5.543 1.803 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.499 3.201 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.293 2.402 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.470 2.233 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.782 4.023 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.677 5.270 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.903 5.359 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.780 3.010 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.915 4.255 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.095 4.426 1.291 1.00 0.00 H new ATOM 115 N PRO A2570 -2.998 6.721 2.497 1.00 0.00 N ATOM 116 CA PRO A2570 -4.249 7.435 2.720 1.00 0.00 C ATOM 117 C PRO A2570 -5.044 7.659 1.426 1.00 0.00 C ATOM 118 O PRO A2570 -4.637 8.420 0.525 1.00 0.00 O ATOM 119 CB PRO A2570 -3.814 8.756 3.350 1.00 0.00 C ATOM 120 CG PRO A2570 -2.411 8.945 2.917 1.00 0.00 C ATOM 121 CD PRO A2570 -1.825 7.581 2.711 1.00 0.00 C ATOM 0 HA PRO A2570 -4.930 6.868 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.445 9.579 3.015 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.890 8.719 4.437 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.367 9.526 1.996 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.847 9.497 3.669 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.153 7.560 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.247 7.260 3.577 1.00 0.00 H new ATOM 129 N VAL A2571 -6.161 6.986 1.336 1.00 0.00 N ATOM 130 CA VAL A2571 -7.026 7.034 0.177 1.00 0.00 C ATOM 131 C VAL A2571 -8.446 7.365 0.610 1.00 0.00 C ATOM 132 O VAL A2571 -8.756 7.337 1.807 1.00 0.00 O ATOM 133 CB VAL A2571 -7.020 5.692 -0.620 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.658 5.427 -1.245 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.414 4.527 0.272 1.00 0.00 C ATOM 0 H VAL A2571 -6.505 6.376 2.078 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.644 7.811 -0.485 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.755 5.786 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.686 4.485 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.408 6.238 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.903 5.368 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.402 3.604 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.707 4.446 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.416 4.694 0.667 1.00 0.00 H new ATOM 145 N ILE A2572 -9.301 7.677 -0.337 1.00 0.00 N ATOM 146 CA ILE A2572 -10.668 8.022 -0.028 1.00 0.00 C ATOM 147 C ILE A2572 -11.614 7.538 -1.147 1.00 0.00 C ATOM 148 O ILE A2572 -11.243 7.525 -2.328 1.00 0.00 O ATOM 149 CB ILE A2572 -10.818 9.563 0.215 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.271 9.931 0.587 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.309 10.377 -0.976 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.539 11.416 0.719 1.00 0.00 C ATOM 0 H ILE A2572 -9.072 7.699 -1.331 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.949 7.515 0.895 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.189 9.824 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.939 9.522 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.523 9.446 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.430 11.440 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.254 10.158 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.879 10.114 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.585 11.575 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.901 11.833 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.324 11.910 -0.228 1.00 0.00 H new ATOM 164 N ASN A2573 -12.802 7.106 -0.765 1.00 0.00 N ATOM 165 CA ASN A2573 -13.807 6.635 -1.712 1.00 0.00 C ATOM 166 C ASN A2573 -14.734 7.798 -2.041 1.00 0.00 C ATOM 167 O ASN A2573 -15.377 8.346 -1.142 1.00 0.00 O ATOM 168 CB ASN A2573 -14.642 5.507 -1.085 1.00 0.00 C ATOM 169 CG ASN A2573 -15.611 4.829 -2.074 1.00 0.00 C ATOM 170 OD1 ASN A2573 -16.071 5.427 -3.037 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.946 3.601 -1.811 1.00 0.00 N ATOM 0 H ASN A2573 -13.101 7.070 0.209 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.314 6.259 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.969 4.754 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.214 5.912 -0.250 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.608 3.112 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.547 3.126 -1.001 1.00 0.00 H new ATOM 178 N LEU A2574 -14.841 8.136 -3.306 1.00 0.00 N ATOM 179 CA LEU A2574 -15.645 9.281 -3.728 1.00 0.00 C ATOM 180 C LEU A2574 -17.130 8.950 -3.806 1.00 0.00 C ATOM 181 O LEU A2574 -17.977 9.832 -3.687 1.00 0.00 O ATOM 182 CB LEU A2574 -15.158 9.823 -5.070 1.00 0.00 C ATOM 183 CG LEU A2574 -13.742 10.404 -5.103 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.383 10.830 -6.517 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.624 11.588 -4.147 1.00 0.00 C ATOM 0 H LEU A2574 -14.383 7.638 -4.069 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.519 10.049 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.213 9.018 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.852 10.598 -5.396 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.044 9.632 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.374 11.242 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.430 9.966 -7.180 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.088 11.588 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.610 11.987 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.331 12.364 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.847 11.260 -3.132 1.00 0.00 H new ATOM 197 N GLU A2575 -17.446 7.689 -3.966 1.00 0.00 N ATOM 198 CA GLU A2575 -18.828 7.250 -4.086 1.00 0.00 C ATOM 199 C GLU A2575 -19.429 6.956 -2.727 1.00 0.00 C ATOM 200 O GLU A2575 -20.634 6.737 -2.597 1.00 0.00 O ATOM 201 CB GLU A2575 -18.923 6.019 -4.980 1.00 0.00 C ATOM 202 CG GLU A2575 -18.519 6.279 -6.419 1.00 0.00 C ATOM 203 CD GLU A2575 -19.439 7.252 -7.112 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.462 6.823 -7.674 1.00 0.00 O ATOM 205 OE2 GLU A2575 -19.143 8.461 -7.139 1.00 0.00 O ATOM 0 H GLU A2575 -16.761 6.935 -4.017 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.397 8.061 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.289 5.233 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.947 5.645 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.501 6.668 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.513 5.337 -6.967 1.00 0.00 H new ATOM 212 N ASP A2576 -18.597 6.930 -1.726 1.00 0.00 N ATOM 213 CA ASP A2576 -19.047 6.619 -0.385 1.00 0.00 C ATOM 214 C ASP A2576 -18.797 7.776 0.573 1.00 0.00 C ATOM 215 O ASP A2576 -19.711 8.225 1.268 1.00 0.00 O ATOM 216 CB ASP A2576 -18.372 5.353 0.121 1.00 0.00 C ATOM 217 CG ASP A2576 -18.728 5.044 1.543 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.039 5.525 2.438 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.695 4.304 1.791 1.00 0.00 O ATOM 0 H ASP A2576 -17.598 7.120 -1.806 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.123 6.452 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.659 4.514 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.291 5.462 0.036 1.00 0.00 H new ATOM 224 N GLY A2577 -17.579 8.262 0.602 1.00 0.00 N ATOM 225 CA GLY A2577 -17.250 9.340 1.498 1.00 0.00 C ATOM 226 C GLY A2577 -16.224 8.932 2.534 1.00 0.00 C ATOM 227 O GLY A2577 -15.654 9.794 3.222 1.00 0.00 O ATOM 0 H GLY A2577 -16.808 7.931 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.867 10.183 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.155 9.681 2.001 1.00 0.00 H new ATOM 231 N THR A2578 -15.994 7.631 2.662 1.00 0.00 N ATOM 232 CA THR A2578 -15.049 7.119 3.568 1.00 0.00 C ATOM 233 C THR A2578 -13.633 7.478 3.146 1.00 0.00 C ATOM 234 O THR A2578 -13.227 7.246 1.996 1.00 0.00 O ATOM 235 CB THR A2578 -15.203 5.599 3.675 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.407 5.258 4.366 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.041 4.990 4.353 1.00 0.00 C ATOM 0 H THR A2578 -16.480 6.917 2.120 1.00 0.00 H new ATOM 0 HA THR A2578 -15.231 7.568 4.544 1.00 0.00 H new ATOM 0 HB THR A2578 -15.255 5.202 2.661 1.00 0.00 H new ATOM 0 HG1 THR A2578 -17.080 4.956 3.721 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.180 3.911 4.414 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.135 5.208 3.788 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.950 5.401 5.358 1.00 0.00 H new ATOM 245 N ARG A2579 -12.913 8.028 4.068 1.00 0.00 N ATOM 246 CA ARG A2579 -11.551 8.398 3.878 1.00 0.00 C ATOM 247 C ARG A2579 -10.752 7.628 4.864 1.00 0.00 C ATOM 248 O ARG A2579 -11.151 7.485 6.019 1.00 0.00 O ATOM 249 CB ARG A2579 -11.381 9.875 4.115 1.00 0.00 C ATOM 250 CG ARG A2579 -10.002 10.426 3.812 1.00 0.00 C ATOM 251 CD ARG A2579 -9.912 11.909 4.126 1.00 0.00 C ATOM 252 NE ARG A2579 -11.033 12.678 3.566 1.00 0.00 N ATOM 253 CZ ARG A2579 -10.949 13.873 2.973 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.777 14.360 2.570 1.00 0.00 N ATOM 255 NH2 ARG A2579 -12.059 14.545 2.715 1.00 0.00 N ATOM 0 H ARG A2579 -13.268 8.238 5.001 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.226 8.182 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.110 10.410 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.618 10.089 5.157 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.257 9.884 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.766 10.261 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -9.887 12.046 5.207 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -8.975 12.303 3.733 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.961 12.261 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.924 13.819 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.732 15.274 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -12.965 14.150 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -12.009 15.458 2.263 1.00 0.00 H new ATOM 269 N LEU A2580 -9.663 7.123 4.431 1.00 0.00 N ATOM 270 CA LEU A2580 -8.860 6.298 5.244 1.00 0.00 C ATOM 271 C LEU A2580 -7.493 6.879 5.325 1.00 0.00 C ATOM 272 O LEU A2580 -6.737 6.842 4.355 1.00 0.00 O ATOM 273 CB LEU A2580 -8.842 4.918 4.635 1.00 0.00 C ATOM 274 CG LEU A2580 -10.223 4.321 4.423 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.147 3.071 3.614 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.909 4.077 5.755 1.00 0.00 C ATOM 0 H LEU A2580 -9.299 7.272 3.490 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.255 6.231 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.324 4.961 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.265 4.255 5.279 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.823 5.037 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.149 2.665 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.710 3.294 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.526 2.340 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.897 3.649 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.313 3.385 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.011 5.021 6.290 1.00 0.00 H new ATOM 288 N VAL A2581 -7.205 7.478 6.447 1.00 0.00 N ATOM 289 CA VAL A2581 -5.935 8.094 6.695 1.00 0.00 C ATOM 290 C VAL A2581 -5.403 7.589 8.034 1.00 0.00 C ATOM 291 O VAL A2581 -6.192 7.165 8.901 1.00 0.00 O ATOM 292 CB VAL A2581 -6.041 9.656 6.681 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.512 10.149 5.309 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.981 10.161 7.764 1.00 0.00 C ATOM 0 H VAL A2581 -7.858 7.552 7.227 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.242 7.822 5.899 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.047 10.054 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.580 11.237 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.800 9.836 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.492 9.726 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.030 11.249 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.976 9.747 7.604 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.611 9.850 8.741 1.00 0.00 H new ATOM 304 N GLY A2582 -4.103 7.567 8.181 1.00 0.00 N ATOM 305 CA GLY A2582 -3.498 7.081 9.396 1.00 0.00 C ATOM 306 C GLY A2582 -3.456 5.572 9.407 1.00 0.00 C ATOM 307 O GLY A2582 -3.155 4.952 8.399 1.00 0.00 O ATOM 0 H GLY A2582 -3.440 7.881 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.487 7.478 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -4.062 7.440 10.257 1.00 0.00 H new ATOM 311 N GLU A2583 -3.825 4.983 10.513 1.00 0.00 N ATOM 312 CA GLU A2583 -3.849 3.534 10.653 1.00 0.00 C ATOM 313 C GLU A2583 -5.090 2.967 10.003 1.00 0.00 C ATOM 314 O GLU A2583 -5.175 1.768 9.714 1.00 0.00 O ATOM 315 CB GLU A2583 -3.804 3.157 12.115 1.00 0.00 C ATOM 316 CG GLU A2583 -2.508 3.528 12.788 1.00 0.00 C ATOM 317 CD GLU A2583 -1.358 2.698 12.280 1.00 0.00 C ATOM 318 OE1 GLU A2583 -0.741 3.066 11.277 1.00 0.00 O ATOM 319 OE2 GLU A2583 -1.076 1.627 12.874 1.00 0.00 O ATOM 0 H GLU A2583 -4.120 5.487 11.349 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.974 3.116 10.155 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.628 3.646 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.960 2.082 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.298 4.584 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.606 3.393 13.865 1.00 0.00 H new ATOM 326 N ASP A2584 -6.052 3.835 9.788 1.00 0.00 N ATOM 327 CA ASP A2584 -7.286 3.481 9.092 1.00 0.00 C ATOM 328 C ASP A2584 -7.018 3.341 7.600 1.00 0.00 C ATOM 329 O ASP A2584 -7.793 2.722 6.873 1.00 0.00 O ATOM 330 CB ASP A2584 -8.405 4.518 9.336 1.00 0.00 C ATOM 331 CG ASP A2584 -8.927 4.532 10.761 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.385 5.282 11.611 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.900 3.809 11.066 1.00 0.00 O ATOM 0 H ASP A2584 -6.009 4.809 10.088 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.630 2.528 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.029 5.510 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.233 4.312 8.658 1.00 0.00 H new ATOM 338 N ALA A2585 -5.904 3.915 7.159 1.00 0.00 N ATOM 339 CA ALA A2585 -5.490 3.846 5.775 1.00 0.00 C ATOM 340 C ALA A2585 -4.952 2.466 5.481 1.00 0.00 C ATOM 341 O ALA A2585 -4.268 1.874 6.325 1.00 0.00 O ATOM 342 CB ALA A2585 -4.423 4.883 5.496 1.00 0.00 C ATOM 0 H ALA A2585 -5.266 4.440 7.757 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.349 4.047 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.120 4.821 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.820 5.877 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.560 4.698 6.136 1.00 0.00 H new ATOM 348 N PRO A2586 -5.262 1.914 4.309 1.00 0.00 N ATOM 349 CA PRO A2586 -4.786 0.602 3.927 1.00 0.00 C ATOM 350 C PRO A2586 -3.261 0.552 3.832 1.00 0.00 C ATOM 351 O PRO A2586 -2.603 1.541 3.446 1.00 0.00 O ATOM 352 CB PRO A2586 -5.421 0.352 2.550 1.00 0.00 C ATOM 353 CG PRO A2586 -5.785 1.701 2.046 1.00 0.00 C ATOM 354 CD PRO A2586 -6.099 2.523 3.260 1.00 0.00 C ATOM 0 HA PRO A2586 -5.057 -0.154 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.722 -0.146 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.298 -0.290 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.965 2.140 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.644 1.649 1.377 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.853 3.574 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.158 2.477 3.514 1.00 0.00 H new ATOM 362 N LYS A2587 -2.715 -0.566 4.235 1.00 0.00 N ATOM 363 CA LYS A2587 -1.299 -0.825 4.138 1.00 0.00 C ATOM 364 C LYS A2587 -0.899 -0.889 2.679 1.00 0.00 C ATOM 365 O LYS A2587 -1.697 -1.281 1.845 1.00 0.00 O ATOM 366 CB LYS A2587 -0.974 -2.152 4.823 1.00 0.00 C ATOM 367 CG LYS A2587 -1.160 -2.125 6.331 1.00 0.00 C ATOM 368 CD LYS A2587 -1.047 -3.511 6.958 1.00 0.00 C ATOM 369 CE LYS A2587 -2.272 -4.359 6.643 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.208 -5.691 7.270 1.00 0.00 N ATOM 0 H LYS A2587 -3.247 -1.333 4.645 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.746 -0.024 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.608 -2.932 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.057 -2.423 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.413 -1.467 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.137 -1.702 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.151 -4.009 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.935 -3.416 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -3.167 -3.841 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -2.364 -4.473 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.063 -6.231 7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -1.369 -6.198 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.147 -5.586 8.303 1.00 0.00 H new ATOM 384 N ASN A2588 0.323 -0.514 2.391 1.00 0.00 N ATOM 385 CA ASN A2588 0.879 -0.499 1.022 1.00 0.00 C ATOM 386 C ASN A2588 0.690 -1.853 0.323 1.00 0.00 C ATOM 387 O ASN A2588 0.387 -1.918 -0.867 1.00 0.00 O ATOM 388 CB ASN A2588 2.364 -0.115 1.077 1.00 0.00 C ATOM 389 CG ASN A2588 3.048 -0.018 -0.282 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.439 0.341 -1.287 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.320 -0.338 -0.312 1.00 0.00 N ATOM 0 H ASN A2588 0.986 -0.202 3.100 1.00 0.00 H new ATOM 0 HA ASN A2588 0.338 0.243 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.458 0.845 1.585 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.893 -0.850 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.837 -0.293 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.792 -0.632 0.543 1.00 0.00 H new ATOM 398 N LYS A2589 0.819 -2.926 1.082 1.00 0.00 N ATOM 399 CA LYS A2589 0.627 -4.278 0.551 1.00 0.00 C ATOM 400 C LYS A2589 -0.853 -4.551 0.186 1.00 0.00 C ATOM 401 O LYS A2589 -1.140 -5.253 -0.777 1.00 0.00 O ATOM 402 CB LYS A2589 1.133 -5.326 1.555 1.00 0.00 C ATOM 403 CG LYS A2589 0.514 -5.187 2.938 1.00 0.00 C ATOM 404 CD LYS A2589 0.960 -6.269 3.900 1.00 0.00 C ATOM 405 CE LYS A2589 0.472 -7.648 3.484 1.00 0.00 C ATOM 406 NZ LYS A2589 0.795 -8.668 4.505 1.00 0.00 N ATOM 0 H LYS A2589 1.057 -2.895 2.073 1.00 0.00 H new ATOM 0 HA LYS A2589 1.210 -4.354 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.919 -6.322 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.217 -5.243 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.775 -4.212 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.572 -5.214 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.048 -6.274 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.588 -6.040 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.606 -7.621 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A2589 0.929 -7.925 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 0.448 -9.597 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 1.825 -8.710 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 0.339 -8.415 5.405 1.00 0.00 H new ATOM 420 N ASP A2590 -1.772 -3.966 0.935 1.00 0.00 N ATOM 421 CA ASP A2590 -3.215 -4.194 0.738 1.00 0.00 C ATOM 422 C ASP A2590 -3.791 -3.187 -0.229 1.00 0.00 C ATOM 423 O ASP A2590 -4.889 -3.377 -0.765 1.00 0.00 O ATOM 424 CB ASP A2590 -3.983 -4.101 2.060 1.00 0.00 C ATOM 425 CG ASP A2590 -3.737 -5.257 3.015 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.663 -5.323 3.641 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.643 -6.109 3.183 1.00 0.00 O ATOM 0 H ASP A2590 -1.553 -3.322 1.695 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.325 -5.200 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.711 -3.171 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.050 -4.047 1.843 1.00 0.00 H new ATOM 432 N LEU A2591 -3.036 -2.119 -0.440 1.00 0.00 N ATOM 433 CA LEU A2591 -3.379 -1.007 -1.319 1.00 0.00 C ATOM 434 C LEU A2591 -3.864 -1.499 -2.677 1.00 0.00 C ATOM 435 O LEU A2591 -4.923 -1.100 -3.142 1.00 0.00 O ATOM 436 CB LEU A2591 -2.139 -0.047 -1.418 1.00 0.00 C ATOM 437 CG LEU A2591 -2.138 1.142 -2.420 1.00 0.00 C ATOM 438 CD1 LEU A2591 -1.849 0.702 -3.841 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.424 1.946 -2.322 1.00 0.00 C ATOM 0 H LEU A2591 -2.131 -1.997 0.014 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.215 -0.445 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.975 0.370 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.272 -0.665 -1.651 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.317 1.800 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -1.860 1.570 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -0.869 0.227 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.610 -0.008 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.393 2.770 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.274 1.302 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.529 2.343 -1.312 1.00 0.00 H new ATOM 451 N VAL A2592 -3.119 -2.406 -3.263 1.00 0.00 N ATOM 452 CA VAL A2592 -3.441 -2.930 -4.578 1.00 0.00 C ATOM 453 C VAL A2592 -4.811 -3.626 -4.609 1.00 0.00 C ATOM 454 O VAL A2592 -5.560 -3.483 -5.565 1.00 0.00 O ATOM 455 CB VAL A2592 -2.350 -3.886 -5.110 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.047 -3.136 -5.346 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.127 -5.034 -4.145 1.00 0.00 C ATOM 0 H VAL A2592 -2.276 -2.803 -2.848 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.486 -2.064 -5.238 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.692 -4.294 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.292 -3.827 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.210 -2.345 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.705 -2.698 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.355 -5.695 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.810 -4.641 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.055 -5.592 -4.023 1.00 0.00 H new ATOM 467 N GLU A2593 -5.147 -4.333 -3.537 1.00 0.00 N ATOM 468 CA GLU A2593 -6.394 -5.044 -3.456 1.00 0.00 C ATOM 469 C GLU A2593 -7.538 -4.086 -3.274 1.00 0.00 C ATOM 470 O GLU A2593 -8.573 -4.229 -3.903 1.00 0.00 O ATOM 471 CB GLU A2593 -6.385 -6.026 -2.310 1.00 0.00 C ATOM 472 CG GLU A2593 -5.429 -7.186 -2.461 1.00 0.00 C ATOM 473 CD GLU A2593 -5.575 -8.160 -1.327 1.00 0.00 C ATOM 474 OE1 GLU A2593 -4.924 -7.972 -0.285 1.00 0.00 O ATOM 475 OE2 GLU A2593 -6.375 -9.112 -1.446 1.00 0.00 O ATOM 0 H GLU A2593 -4.558 -4.423 -2.709 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.521 -5.590 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.137 -5.489 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.393 -6.421 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.616 -7.694 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.405 -6.815 -2.496 1.00 0.00 H new ATOM 482 N TRP A2594 -7.327 -3.095 -2.433 1.00 0.00 N ATOM 483 CA TRP A2594 -8.342 -2.098 -2.118 1.00 0.00 C ATOM 484 C TRP A2594 -8.753 -1.357 -3.405 1.00 0.00 C ATOM 485 O TRP A2594 -9.921 -1.053 -3.625 1.00 0.00 O ATOM 486 CB TRP A2594 -7.784 -1.116 -1.071 1.00 0.00 C ATOM 487 CG TRP A2594 -8.837 -0.355 -0.324 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.429 -0.742 0.838 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.418 0.909 -0.667 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.349 0.188 1.233 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.363 1.215 0.329 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.240 1.807 -1.715 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.122 2.381 0.306 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.988 2.958 -1.733 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.922 3.238 -0.731 1.00 0.00 C ATOM 0 H TRP A2594 -6.443 -2.953 -1.943 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.226 -2.583 -1.703 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.176 -1.670 -0.356 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.123 -0.407 -1.569 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.204 -1.654 1.372 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.932 0.126 2.068 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.527 1.602 -2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.842 2.597 1.081 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.852 3.663 -2.540 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.495 4.152 -0.781 1.00 0.00 H new ATOM 506 N LEU A2595 -7.779 -1.154 -4.270 1.00 0.00 N ATOM 507 CA LEU A2595 -7.971 -0.469 -5.558 1.00 0.00 C ATOM 508 C LEU A2595 -8.787 -1.302 -6.527 1.00 0.00 C ATOM 509 O LEU A2595 -9.515 -0.769 -7.367 1.00 0.00 O ATOM 510 CB LEU A2595 -6.620 -0.099 -6.161 1.00 0.00 C ATOM 511 CG LEU A2595 -5.987 1.223 -5.695 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.307 1.544 -4.238 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.489 1.169 -5.899 1.00 0.00 C ATOM 0 H LEU A2595 -6.819 -1.458 -4.108 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.536 0.444 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.920 -0.905 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.732 -0.058 -7.244 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.418 2.022 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.836 2.487 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.387 1.627 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.928 0.747 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.043 2.107 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.072 0.345 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.271 1.017 -6.956 1.00 0.00 H new ATOM 525 N LYS A2596 -8.636 -2.603 -6.433 1.00 0.00 N ATOM 526 CA LYS A2596 -9.389 -3.527 -7.267 1.00 0.00 C ATOM 527 C LYS A2596 -10.865 -3.495 -6.877 1.00 0.00 C ATOM 528 O LYS A2596 -11.758 -3.610 -7.728 1.00 0.00 O ATOM 529 CB LYS A2596 -8.845 -4.949 -7.126 1.00 0.00 C ATOM 530 CG LYS A2596 -7.385 -5.088 -7.495 1.00 0.00 C ATOM 531 CD LYS A2596 -6.896 -6.510 -7.296 1.00 0.00 C ATOM 532 CE LYS A2596 -5.411 -6.633 -7.605 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.089 -6.229 -8.988 1.00 0.00 N ATOM 0 H LYS A2596 -7.993 -3.054 -5.782 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.284 -3.218 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -8.982 -5.279 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.434 -5.616 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.242 -4.795 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.788 -4.408 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.082 -6.820 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.461 -7.184 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -4.845 -6.015 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.094 -7.664 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.116 -6.518 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -5.750 -6.688 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.173 -5.196 -9.077 1.00 0.00 H new ATOM 547 N LEU A2597 -11.116 -3.333 -5.591 1.00 0.00 N ATOM 548 CA LEU A2597 -12.463 -3.271 -5.077 1.00 0.00 C ATOM 549 C LEU A2597 -13.078 -1.885 -5.211 1.00 0.00 C ATOM 550 O LEU A2597 -14.295 -1.762 -5.340 1.00 0.00 O ATOM 551 CB LEU A2597 -12.542 -3.752 -3.619 1.00 0.00 C ATOM 552 CG LEU A2597 -12.507 -5.271 -3.358 1.00 0.00 C ATOM 553 CD1 LEU A2597 -13.666 -5.975 -4.038 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.188 -5.912 -3.759 1.00 0.00 C ATOM 0 H LEU A2597 -10.391 -3.241 -4.879 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.049 -3.951 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.715 -3.300 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.462 -3.359 -3.187 1.00 0.00 H new ATOM 0 HG LEU A2597 -12.606 -5.393 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -13.612 -7.044 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -14.607 -5.580 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.613 -5.807 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.225 -6.981 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.016 -5.755 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.376 -5.460 -3.190 1.00 0.00 H new ATOM 566 N HIS A2598 -12.263 -0.853 -5.187 1.00 0.00 N ATOM 567 CA HIS A2598 -12.781 0.507 -5.279 1.00 0.00 C ATOM 568 C HIS A2598 -12.147 1.277 -6.432 1.00 0.00 C ATOM 569 O HIS A2598 -11.228 2.051 -6.229 1.00 0.00 O ATOM 570 CB HIS A2598 -12.590 1.287 -3.962 1.00 0.00 C ATOM 571 CG HIS A2598 -13.243 0.644 -2.763 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.558 0.832 -2.411 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.737 -0.215 -1.848 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.809 0.105 -1.328 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.733 -0.555 -0.938 1.00 0.00 N ATOM 0 H HIS A2598 -11.249 -0.921 -5.106 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.850 0.414 -5.471 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.523 1.393 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.993 2.292 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.720 -0.579 -1.827 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.767 0.059 -0.831 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.650 -1.182 -0.138 1.00 0.00 H new ATOM 583 N PRO A2599 -12.608 1.058 -7.677 1.00 0.00 N ATOM 584 CA PRO A2599 -12.066 1.768 -8.843 1.00 0.00 C ATOM 585 C PRO A2599 -12.505 3.241 -8.861 1.00 0.00 C ATOM 586 O PRO A2599 -11.897 4.087 -9.521 1.00 0.00 O ATOM 587 CB PRO A2599 -12.667 1.007 -10.033 1.00 0.00 C ATOM 588 CG PRO A2599 -13.923 0.399 -9.503 1.00 0.00 C ATOM 589 CD PRO A2599 -13.660 0.091 -8.057 1.00 0.00 C ATOM 0 HA PRO A2599 -10.976 1.790 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.874 1.677 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.982 0.243 -10.400 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.763 1.086 -9.608 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.180 -0.506 -10.053 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.557 0.217 -7.451 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.326 -0.938 -7.921 1.00 0.00 H new ATOM 597 N THR A2600 -13.520 3.531 -8.088 1.00 0.00 N ATOM 598 CA THR A2600 -14.110 4.836 -7.983 1.00 0.00 C ATOM 599 C THR A2600 -13.522 5.611 -6.796 1.00 0.00 C ATOM 600 O THR A2600 -14.115 6.574 -6.281 1.00 0.00 O ATOM 601 CB THR A2600 -15.616 4.640 -7.807 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.821 3.520 -6.924 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.279 4.356 -9.145 1.00 0.00 C ATOM 0 H THR A2600 -13.973 2.837 -7.493 1.00 0.00 H new ATOM 0 HA THR A2600 -13.900 5.420 -8.879 1.00 0.00 H new ATOM 0 HB THR A2600 -16.057 5.546 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.782 3.377 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.350 4.220 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.109 5.194 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.854 3.450 -9.577 1.00 0.00 H new ATOM 611 N TYR A2601 -12.346 5.199 -6.375 1.00 0.00 N ATOM 612 CA TYR A2601 -11.677 5.848 -5.281 1.00 0.00 C ATOM 613 C TYR A2601 -10.767 6.958 -5.837 1.00 0.00 C ATOM 614 O TYR A2601 -10.665 7.144 -7.061 1.00 0.00 O ATOM 615 CB TYR A2601 -10.803 4.817 -4.516 1.00 0.00 C ATOM 616 CG TYR A2601 -9.385 4.653 -5.062 1.00 0.00 C ATOM 617 CD1 TYR A2601 -9.136 4.187 -6.346 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.307 5.012 -4.283 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.855 4.094 -6.828 1.00 0.00 C ATOM 620 CE2 TYR A2601 -7.029 4.916 -4.747 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.800 4.463 -6.022 1.00 0.00 C ATOM 622 OH TYR A2601 -5.507 4.382 -6.498 1.00 0.00 O ATOM 0 H TYR A2601 -11.836 4.414 -6.779 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.418 6.272 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.743 5.117 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.302 3.848 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.963 3.893 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.478 5.378 -3.281 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.675 3.735 -7.830 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -6.200 5.195 -4.114 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.883 4.681 -5.804 1.00 0.00 H new ATOM 632 N THR A2602 -10.121 7.666 -4.958 1.00 0.00 N ATOM 633 CA THR A2602 -9.061 8.542 -5.319 1.00 0.00 C ATOM 634 C THR A2602 -8.106 8.583 -4.126 1.00 0.00 C ATOM 635 O THR A2602 -8.474 8.144 -3.024 1.00 0.00 O ATOM 636 CB THR A2602 -9.546 9.962 -5.749 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.469 10.672 -6.398 1.00 0.00 O ATOM 638 CG2 THR A2602 -10.032 10.779 -4.559 1.00 0.00 C ATOM 0 H THR A2602 -10.323 7.646 -3.958 1.00 0.00 H new ATOM 0 HA THR A2602 -8.555 8.166 -6.208 1.00 0.00 H new ATOM 0 HB THR A2602 -10.381 9.828 -6.437 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.779 11.562 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.361 11.760 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.865 10.264 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.219 10.898 -3.843 1.00 0.00 H new ATOM 646 N VAL A2603 -6.913 9.041 -4.319 1.00 0.00 N ATOM 647 CA VAL A2603 -5.959 9.030 -3.244 1.00 0.00 C ATOM 648 C VAL A2603 -6.041 10.363 -2.505 1.00 0.00 C ATOM 649 O VAL A2603 -6.120 11.410 -3.135 1.00 0.00 O ATOM 650 CB VAL A2603 -4.509 8.791 -3.766 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.560 8.462 -2.628 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.467 7.696 -4.826 1.00 0.00 C ATOM 0 H VAL A2603 -6.572 9.425 -5.200 1.00 0.00 H new ATOM 0 HA VAL A2603 -6.199 8.209 -2.569 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.179 9.721 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.558 8.301 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.541 9.290 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.899 7.558 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.441 7.558 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.837 6.763 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -5.093 7.983 -5.671 1.00 0.00 H new ATOM 662 N ASP A2604 -6.051 10.319 -1.185 1.00 0.00 N ATOM 663 CA ASP A2604 -6.122 11.541 -0.362 1.00 0.00 C ATOM 664 C ASP A2604 -4.763 12.213 -0.367 1.00 0.00 C ATOM 665 O ASP A2604 -4.633 13.430 -0.261 1.00 0.00 O ATOM 666 CB ASP A2604 -6.572 11.196 1.076 1.00 0.00 C ATOM 667 CG ASP A2604 -6.518 12.372 2.045 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.377 13.279 1.968 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.640 12.389 2.927 1.00 0.00 O ATOM 0 H ASP A2604 -6.011 9.454 -0.647 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.859 12.227 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.592 10.812 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.942 10.394 1.460 1.00 0.00 H new