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= 0.135 K(o=-0.063,f=-8.5!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.198 K(o=-0.063,f=-0.56) USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 5:sc= 1.14 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.1!) USER MOD Single : A2589 LYS NZ :NH3+ 160:sc= -1.23 (180deg=-2!) USER MOD Single : A2596 LYS NZ :NH3+ 162:sc= -0.0136 (180deg=-0.211) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.149 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 5.638 -2.394 2.504 1.00 0.00 N ATOM 33 CA PRO A2565 4.318 -3.069 2.487 1.00 0.00 C ATOM 34 C PRO A2565 3.402 -2.599 3.611 1.00 0.00 C ATOM 35 O PRO A2565 2.168 -2.581 3.472 1.00 0.00 O ATOM 36 CB PRO A2565 4.670 -4.543 2.705 1.00 0.00 C ATOM 37 CG PRO A2565 6.084 -4.669 2.257 1.00 0.00 C ATOM 38 CD PRO A2565 6.741 -3.376 2.612 1.00 0.00 C ATOM 0 HA PRO A2565 3.779 -2.862 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.561 -4.825 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.013 -5.195 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.577 -5.506 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.139 -4.854 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.161 -3.401 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.559 -3.140 1.931 1.00 0.00 H new ATOM 46 N ASP A2566 4.013 -2.200 4.703 1.00 0.00 N ATOM 47 CA ASP A2566 3.285 -1.775 5.882 1.00 0.00 C ATOM 48 C ASP A2566 3.017 -0.264 5.864 1.00 0.00 C ATOM 49 O ASP A2566 2.242 0.243 6.667 1.00 0.00 O ATOM 50 CB ASP A2566 4.050 -2.195 7.143 1.00 0.00 C ATOM 51 CG ASP A2566 3.355 -1.826 8.442 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.350 -2.476 8.812 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.814 -0.889 9.112 1.00 0.00 O ATOM 0 H ASP A2566 5.027 -2.160 4.801 1.00 0.00 H new ATOM 0 HA ASP A2566 2.312 -2.266 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.203 -3.274 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.037 -1.732 7.127 1.00 0.00 H new ATOM 58 N THR A2567 3.640 0.454 4.936 1.00 0.00 N ATOM 59 CA THR A2567 3.410 1.882 4.820 1.00 0.00 C ATOM 60 C THR A2567 1.932 2.118 4.510 1.00 0.00 C ATOM 61 O THR A2567 1.371 1.484 3.613 1.00 0.00 O ATOM 62 CB THR A2567 4.286 2.490 3.703 1.00 0.00 C ATOM 63 OG1 THR A2567 5.651 2.128 3.934 1.00 0.00 O ATOM 64 CG2 THR A2567 4.174 4.012 3.678 1.00 0.00 C ATOM 0 H THR A2567 4.302 0.071 4.261 1.00 0.00 H new ATOM 0 HA THR A2567 3.678 2.366 5.759 1.00 0.00 H new ATOM 0 HB THR A2567 3.940 2.103 2.744 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.214 2.509 3.228 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.802 4.410 2.881 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.137 4.298 3.500 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.502 4.417 4.635 1.00 0.00 H new ATOM 72 N ARG A2568 1.305 2.967 5.286 1.00 0.00 N ATOM 73 CA ARG A2568 -0.100 3.229 5.119 1.00 0.00 C ATOM 74 C ARG A2568 -0.312 4.195 3.969 1.00 0.00 C ATOM 75 O ARG A2568 0.486 5.121 3.769 1.00 0.00 O ATOM 76 CB ARG A2568 -0.718 3.787 6.401 1.00 0.00 C ATOM 77 CG ARG A2568 -0.631 2.886 7.638 1.00 0.00 C ATOM 78 CD ARG A2568 -1.231 1.505 7.390 1.00 0.00 C ATOM 79 NE ARG A2568 -1.425 0.739 8.650 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.692 -0.320 9.060 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.459 -0.603 8.482 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.095 -1.047 10.101 1.00 0.00 N ATOM 0 H ARG A2568 1.749 3.489 6.042 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.597 2.286 4.893 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.232 4.735 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.768 4.006 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.412 2.779 7.934 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.151 3.362 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.189 1.614 6.882 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.579 0.942 6.722 1.00 0.00 H new ATOM 0 HE ARG A2568 -2.183 1.041 9.262 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.803 -0.021 7.719 1.00 0.00 H new ATOM 0 HH12 ARG A2568 1.005 -1.404 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.957 -0.805 10.589 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -0.541 -1.846 10.410 1.00 0.00 H new ATOM 96 N ILE A2569 -1.356 3.978 3.217 1.00 0.00 N ATOM 97 CA ILE A2569 -1.653 4.790 2.076 1.00 0.00 C ATOM 98 C ILE A2569 -3.006 5.472 2.303 1.00 0.00 C ATOM 99 O ILE A2569 -4.051 4.839 2.176 1.00 0.00 O ATOM 100 CB ILE A2569 -1.739 3.921 0.785 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.521 2.968 0.668 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.834 4.815 -0.456 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.823 3.659 0.518 1.00 0.00 C ATOM 0 H ILE A2569 -2.027 3.228 3.382 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.860 5.527 1.949 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.640 3.312 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.489 2.333 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.673 2.312 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.893 4.193 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.726 5.438 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.951 5.451 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.611 2.910 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.819 4.271 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.005 4.293 1.386 1.00 0.00 H new ATOM 115 N PRO A2570 -2.992 6.742 2.719 1.00 0.00 N ATOM 116 CA PRO A2570 -4.209 7.523 2.915 1.00 0.00 C ATOM 117 C PRO A2570 -4.971 7.743 1.602 1.00 0.00 C ATOM 118 O PRO A2570 -4.507 8.465 0.689 1.00 0.00 O ATOM 119 CB PRO A2570 -3.725 8.855 3.517 1.00 0.00 C ATOM 120 CG PRO A2570 -2.293 8.641 3.890 1.00 0.00 C ATOM 121 CD PRO A2570 -1.790 7.477 3.086 1.00 0.00 C ATOM 0 HA PRO A2570 -4.916 7.009 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -3.824 9.667 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -4.319 9.128 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.704 9.534 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -2.200 8.439 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.244 7.810 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.108 6.857 3.668 1.00 0.00 H new ATOM 129 N VAL A2571 -6.121 7.114 1.503 1.00 0.00 N ATOM 130 CA VAL A2571 -6.963 7.158 0.319 1.00 0.00 C ATOM 131 C VAL A2571 -8.410 7.398 0.712 1.00 0.00 C ATOM 132 O VAL A2571 -8.756 7.349 1.907 1.00 0.00 O ATOM 133 CB VAL A2571 -6.878 5.847 -0.525 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.497 5.668 -1.131 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.238 4.630 0.318 1.00 0.00 C ATOM 0 H VAL A2571 -6.508 6.545 2.256 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.595 7.979 -0.296 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.600 5.937 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.471 4.746 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.273 6.513 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.754 5.616 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.171 3.731 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.546 4.551 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.255 4.737 0.695 1.00 0.00 H new ATOM 145 N ILE A2572 -9.243 7.660 -0.270 1.00 0.00 N ATOM 146 CA ILE A2572 -10.641 7.896 -0.029 1.00 0.00 C ATOM 147 C ILE A2572 -11.484 7.400 -1.216 1.00 0.00 C ATOM 148 O ILE A2572 -11.048 7.453 -2.367 1.00 0.00 O ATOM 149 CB ILE A2572 -10.931 9.415 0.265 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.425 9.650 0.575 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.457 10.308 -0.880 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.791 11.090 0.882 1.00 0.00 C ATOM 0 H ILE A2572 -8.969 7.714 -1.251 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.924 7.331 0.859 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.360 9.690 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.016 9.313 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.708 9.029 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.673 11.350 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.383 10.183 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.976 10.030 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.859 11.158 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.232 11.430 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.545 11.718 0.026 1.00 0.00 H new ATOM 164 N ASN A2573 -12.638 6.872 -0.910 1.00 0.00 N ATOM 165 CA ASN A2573 -13.616 6.446 -1.896 1.00 0.00 C ATOM 166 C ASN A2573 -14.551 7.608 -2.085 1.00 0.00 C ATOM 167 O ASN A2573 -15.163 8.060 -1.125 1.00 0.00 O ATOM 168 CB ASN A2573 -14.405 5.238 -1.361 1.00 0.00 C ATOM 169 CG ASN A2573 -15.477 4.680 -2.315 1.00 0.00 C ATOM 170 OD1 ASN A2573 -16.066 5.392 -3.122 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.763 3.418 -2.186 1.00 0.00 N ATOM 0 H ASN A2573 -12.939 6.719 0.052 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.137 6.154 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.701 4.440 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.887 5.524 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.492 2.999 -2.763 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.258 2.847 -1.508 1.00 0.00 H new ATOM 178 N LEU A2574 -14.678 8.074 -3.290 1.00 0.00 N ATOM 179 CA LEU A2574 -15.470 9.264 -3.560 1.00 0.00 C ATOM 180 C LEU A2574 -16.960 8.997 -3.538 1.00 0.00 C ATOM 181 O LEU A2574 -17.734 9.827 -3.056 1.00 0.00 O ATOM 182 CB LEU A2574 -15.064 9.910 -4.882 1.00 0.00 C ATOM 183 CG LEU A2574 -13.650 10.486 -4.940 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.374 11.063 -6.312 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.457 11.551 -3.867 1.00 0.00 C ATOM 0 H LEU A2574 -14.246 7.656 -4.114 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.258 9.960 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.165 9.167 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.770 10.710 -5.105 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.942 9.679 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.363 11.470 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.470 10.278 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.090 11.857 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.443 11.948 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.172 12.358 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.617 11.110 -2.883 1.00 0.00 H new ATOM 197 N GLU A2575 -17.353 7.841 -4.003 1.00 0.00 N ATOM 198 CA GLU A2575 -18.762 7.505 -4.124 1.00 0.00 C ATOM 199 C GLU A2575 -19.367 7.241 -2.758 1.00 0.00 C ATOM 200 O GLU A2575 -20.476 7.698 -2.445 1.00 0.00 O ATOM 201 CB GLU A2575 -18.928 6.282 -5.010 1.00 0.00 C ATOM 202 CG GLU A2575 -18.283 6.423 -6.374 1.00 0.00 C ATOM 203 CD GLU A2575 -18.861 7.536 -7.197 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.872 7.317 -7.886 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.292 8.649 -7.207 1.00 0.00 O ATOM 0 H GLU A2575 -16.717 7.105 -4.309 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.283 8.349 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.500 5.417 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.991 6.081 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.214 6.594 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.393 5.485 -6.918 1.00 0.00 H new ATOM 212 N ASP A2576 -18.631 6.529 -1.939 1.00 0.00 N ATOM 213 CA ASP A2576 -19.102 6.201 -0.605 1.00 0.00 C ATOM 214 C ASP A2576 -18.799 7.316 0.368 1.00 0.00 C ATOM 215 O ASP A2576 -19.679 7.793 1.074 1.00 0.00 O ATOM 216 CB ASP A2576 -18.488 4.898 -0.094 1.00 0.00 C ATOM 217 CG ASP A2576 -18.993 4.538 1.293 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.402 4.994 2.297 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.986 3.799 1.396 1.00 0.00 O ATOM 0 H ASP A2576 -17.706 6.164 -2.167 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.182 6.071 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.723 4.090 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.402 4.993 -0.072 1.00 0.00 H new ATOM 224 N GLY A2577 -17.568 7.754 0.372 1.00 0.00 N ATOM 225 CA GLY A2577 -17.154 8.740 1.324 1.00 0.00 C ATOM 226 C GLY A2577 -16.202 8.152 2.340 1.00 0.00 C ATOM 227 O GLY A2577 -15.818 8.823 3.293 1.00 0.00 O ATOM 0 H GLY A2577 -16.840 7.443 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.671 9.569 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.028 9.147 1.833 1.00 0.00 H new ATOM 231 N THR A2578 -15.852 6.876 2.156 1.00 0.00 N ATOM 232 CA THR A2578 -14.927 6.201 2.978 1.00 0.00 C ATOM 233 C THR A2578 -13.562 6.878 2.894 1.00 0.00 C ATOM 234 O THR A2578 -12.933 6.872 1.839 1.00 0.00 O ATOM 235 CB THR A2578 -14.760 4.785 2.458 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.003 4.083 2.433 1.00 0.00 O ATOM 237 CG2 THR A2578 -13.791 4.049 3.289 1.00 0.00 C ATOM 0 H THR A2578 -16.230 6.298 1.406 1.00 0.00 H new ATOM 0 HA THR A2578 -15.292 6.212 4.005 1.00 0.00 H new ATOM 0 HB THR A2578 -14.388 4.852 1.435 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.728 4.693 2.682 1.00 0.00 H new ATOM 0 HG21 THR A2578 -13.680 3.035 2.906 1.00 0.00 H new ATOM 0 HG22 THR A2578 -12.827 4.556 3.259 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.149 4.011 4.318 1.00 0.00 H new ATOM 245 N ARG A2579 -13.120 7.438 3.968 1.00 0.00 N ATOM 246 CA ARG A2579 -11.841 8.090 3.993 1.00 0.00 C ATOM 247 C ARG A2579 -11.001 7.427 5.027 1.00 0.00 C ATOM 248 O ARG A2579 -11.453 7.199 6.147 1.00 0.00 O ATOM 249 CB ARG A2579 -11.989 9.575 4.277 1.00 0.00 C ATOM 250 CG ARG A2579 -10.724 10.374 4.068 1.00 0.00 C ATOM 251 CD ARG A2579 -10.953 11.840 4.355 1.00 0.00 C ATOM 252 NE ARG A2579 -9.796 12.654 3.976 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.321 13.707 4.639 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.841 14.065 5.815 1.00 0.00 N ATOM 255 NH2 ARG A2579 -8.291 14.370 4.137 1.00 0.00 N ATOM 0 H ARG A2579 -13.627 7.461 4.853 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.363 8.002 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.772 9.980 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.322 9.705 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.937 9.992 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.378 10.251 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.833 12.184 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.161 11.975 5.417 1.00 0.00 H new ATOM 0 HE ARG A2579 -9.306 12.389 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.611 13.530 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.468 14.874 6.313 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.874 14.072 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.915 15.179 4.632 1.00 0.00 H new ATOM 269 N LEU A2580 -9.808 7.078 4.643 1.00 0.00 N ATOM 270 CA LEU A2580 -8.924 6.338 5.488 1.00 0.00 C ATOM 271 C LEU A2580 -7.554 6.970 5.432 1.00 0.00 C ATOM 272 O LEU A2580 -6.839 6.823 4.435 1.00 0.00 O ATOM 273 CB LEU A2580 -8.857 4.911 4.958 1.00 0.00 C ATOM 274 CG LEU A2580 -10.205 4.228 4.744 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.040 2.972 3.941 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.894 3.942 6.070 1.00 0.00 C ATOM 0 H LEU A2580 -9.420 7.302 3.727 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.276 6.338 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.318 4.918 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.271 4.310 5.653 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.843 4.910 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.012 2.500 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.610 3.215 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.378 2.287 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.852 3.455 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.265 3.287 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.060 4.878 6.603 1.00 0.00 H new ATOM 288 N VAL A2581 -7.207 7.715 6.452 1.00 0.00 N ATOM 289 CA VAL A2581 -5.914 8.376 6.502 1.00 0.00 C ATOM 290 C VAL A2581 -5.193 8.060 7.817 1.00 0.00 C ATOM 291 O VAL A2581 -5.836 7.710 8.819 1.00 0.00 O ATOM 292 CB VAL A2581 -6.012 9.931 6.296 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.701 10.279 4.984 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.723 10.611 7.450 1.00 0.00 C ATOM 0 H VAL A2581 -7.800 7.883 7.265 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.334 7.981 5.668 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.988 10.303 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.751 11.362 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.136 9.857 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.710 9.867 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.769 11.685 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.734 10.214 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.177 10.423 8.375 1.00 0.00 H new ATOM 304 N GLY A2582 -3.869 8.135 7.799 1.00 0.00 N ATOM 305 CA GLY A2582 -3.089 7.888 8.991 1.00 0.00 C ATOM 306 C GLY A2582 -2.932 6.411 9.244 1.00 0.00 C ATOM 307 O GLY A2582 -2.554 5.664 8.350 1.00 0.00 O ATOM 0 H GLY A2582 -3.319 8.365 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.106 8.348 8.887 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.572 8.357 9.848 1.00 0.00 H new ATOM 311 N GLU A2583 -3.263 5.987 10.437 1.00 0.00 N ATOM 312 CA GLU A2583 -3.192 4.584 10.817 1.00 0.00 C ATOM 313 C GLU A2583 -4.400 3.839 10.292 1.00 0.00 C ATOM 314 O GLU A2583 -4.356 2.628 10.095 1.00 0.00 O ATOM 315 CB GLU A2583 -3.148 4.438 12.330 1.00 0.00 C ATOM 316 CG GLU A2583 -1.924 5.018 12.987 1.00 0.00 C ATOM 317 CD GLU A2583 -2.012 4.927 14.482 1.00 0.00 C ATOM 318 OE1 GLU A2583 -1.877 3.809 15.034 1.00 0.00 O ATOM 319 OE2 GLU A2583 -2.249 5.971 15.132 1.00 0.00 O ATOM 0 H GLU A2583 -3.592 6.602 11.181 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.282 4.166 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.031 4.917 12.753 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.210 3.379 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -1.037 4.488 12.640 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -1.809 6.061 12.690 1.00 0.00 H new ATOM 326 N ASP A2584 -5.478 4.579 10.062 1.00 0.00 N ATOM 327 CA ASP A2584 -6.744 4.007 9.573 1.00 0.00 C ATOM 328 C ASP A2584 -6.668 3.738 8.091 1.00 0.00 C ATOM 329 O ASP A2584 -7.542 3.090 7.515 1.00 0.00 O ATOM 330 CB ASP A2584 -7.939 4.934 9.862 1.00 0.00 C ATOM 331 CG ASP A2584 -8.243 5.098 11.334 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.974 4.248 11.913 1.00 0.00 O ATOM 333 OD2 ASP A2584 -7.782 6.084 11.943 1.00 0.00 O ATOM 0 H ASP A2584 -5.508 5.588 10.206 1.00 0.00 H new ATOM 0 HA ASP A2584 -6.899 3.070 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.739 5.915 9.431 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.822 4.540 9.360 1.00 0.00 H new ATOM 338 N ALA A2585 -5.623 4.240 7.483 1.00 0.00 N ATOM 339 CA ALA A2585 -5.377 4.064 6.077 1.00 0.00 C ATOM 340 C ALA A2585 -4.936 2.631 5.814 1.00 0.00 C ATOM 341 O ALA A2585 -4.314 2.005 6.683 1.00 0.00 O ATOM 342 CB ALA A2585 -4.307 5.035 5.632 1.00 0.00 C ATOM 0 H ALA A2585 -4.909 4.791 7.960 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.289 4.259 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.118 4.905 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.641 6.056 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.390 4.846 6.189 1.00 0.00 H new ATOM 348 N PRO A2586 -5.275 2.074 4.645 1.00 0.00 N ATOM 349 CA PRO A2586 -4.888 0.717 4.283 1.00 0.00 C ATOM 350 C PRO A2586 -3.374 0.582 4.103 1.00 0.00 C ATOM 351 O PRO A2586 -2.651 1.578 3.907 1.00 0.00 O ATOM 352 CB PRO A2586 -5.609 0.465 2.950 1.00 0.00 C ATOM 353 CG PRO A2586 -5.859 1.822 2.395 1.00 0.00 C ATOM 354 CD PRO A2586 -6.075 2.716 3.581 1.00 0.00 C ATOM 0 HA PRO A2586 -5.156 0.001 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.996 -0.132 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.541 -0.079 3.100 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.013 2.162 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.731 1.822 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.738 3.734 3.384 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.129 2.776 3.852 1.00 0.00 H new ATOM 362 N LYS A2587 -2.906 -0.634 4.186 1.00 0.00 N ATOM 363 CA LYS A2587 -1.503 -0.948 4.038 1.00 0.00 C ATOM 364 C LYS A2587 -1.164 -1.005 2.567 1.00 0.00 C ATOM 365 O LYS A2587 -2.024 -1.321 1.768 1.00 0.00 O ATOM 366 CB LYS A2587 -1.228 -2.293 4.700 1.00 0.00 C ATOM 367 CG LYS A2587 -1.504 -2.286 6.193 1.00 0.00 C ATOM 368 CD LYS A2587 -1.476 -3.675 6.808 1.00 0.00 C ATOM 369 CE LYS A2587 -2.645 -4.523 6.339 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.732 -5.804 7.061 1.00 0.00 N ATOM 0 H LYS A2587 -3.494 -1.449 4.361 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.888 -0.184 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.843 -3.058 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A2587 -0.188 -2.570 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.764 -1.659 6.691 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.479 -1.834 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.540 -4.169 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -1.500 -3.592 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -3.572 -3.967 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -2.545 -4.717 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.545 -6.348 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -1.859 -6.348 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.854 -5.622 8.078 1.00 0.00 H new ATOM 384 N ASN A2588 0.075 -0.715 2.228 1.00 0.00 N ATOM 385 CA ASN A2588 0.562 -0.697 0.830 1.00 0.00 C ATOM 386 C ASN A2588 0.260 -2.030 0.132 1.00 0.00 C ATOM 387 O ASN A2588 -0.238 -2.062 -0.991 1.00 0.00 O ATOM 388 CB ASN A2588 2.068 -0.441 0.840 1.00 0.00 C ATOM 389 CG ASN A2588 2.722 -0.225 -0.536 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.250 -0.677 -1.571 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.859 0.409 -0.530 1.00 0.00 N ATOM 0 H ASN A2588 0.795 -0.480 2.911 1.00 0.00 H new ATOM 0 HA ASN A2588 0.052 0.094 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.264 0.437 1.456 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.557 -1.286 1.325 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.376 0.538 -1.400 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.233 0.777 0.345 1.00 0.00 H new ATOM 398 N LYS A2589 0.512 -3.125 0.832 1.00 0.00 N ATOM 399 CA LYS A2589 0.252 -4.457 0.288 1.00 0.00 C ATOM 400 C LYS A2589 -1.237 -4.677 -0.014 1.00 0.00 C ATOM 401 O LYS A2589 -1.584 -5.423 -0.926 1.00 0.00 O ATOM 402 CB LYS A2589 0.746 -5.554 1.238 1.00 0.00 C ATOM 403 CG LYS A2589 0.210 -5.414 2.659 1.00 0.00 C ATOM 404 CD LYS A2589 0.474 -6.642 3.529 1.00 0.00 C ATOM 405 CE LYS A2589 -0.538 -7.787 3.309 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.539 -8.362 1.937 1.00 0.00 N ATOM 0 H LYS A2589 0.896 -3.122 1.777 1.00 0.00 H new ATOM 0 HA LYS A2589 0.806 -4.518 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.453 -6.526 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A2589 1.836 -5.536 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.665 -4.541 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.864 -5.230 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.478 -7.012 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.451 -6.345 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.325 -8.584 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -1.538 -7.417 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -0.972 -9.308 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -1.085 -7.745 1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 0.439 -8.436 1.591 1.00 0.00 H new ATOM 420 N ASP A2590 -2.094 -4.020 0.734 1.00 0.00 N ATOM 421 CA ASP A2590 -3.541 -4.191 0.599 1.00 0.00 C ATOM 422 C ASP A2590 -4.118 -3.167 -0.325 1.00 0.00 C ATOM 423 O ASP A2590 -5.222 -3.342 -0.837 1.00 0.00 O ATOM 424 CB ASP A2590 -4.245 -4.080 1.943 1.00 0.00 C ATOM 425 CG ASP A2590 -3.962 -5.224 2.879 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.855 -5.318 3.411 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.874 -6.046 3.116 1.00 0.00 O ATOM 0 H ASP A2590 -1.819 -3.352 1.454 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.701 -5.189 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.945 -3.149 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.320 -4.019 1.774 1.00 0.00 H new ATOM 432 N LEU A2591 -3.359 -2.103 -0.531 1.00 0.00 N ATOM 433 CA LEU A2591 -3.728 -0.985 -1.383 1.00 0.00 C ATOM 434 C LEU A2591 -4.157 -1.496 -2.738 1.00 0.00 C ATOM 435 O LEU A2591 -5.229 -1.179 -3.207 1.00 0.00 O ATOM 436 CB LEU A2591 -2.520 0.020 -1.461 1.00 0.00 C ATOM 437 CG LEU A2591 -2.586 1.259 -2.407 1.00 0.00 C ATOM 438 CD1 LEU A2591 -2.388 0.903 -3.854 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.858 2.061 -2.181 1.00 0.00 C ATOM 0 H LEU A2591 -2.443 -1.990 -0.097 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.578 -0.444 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.345 0.393 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.639 -0.556 -1.745 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.744 1.899 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -2.445 1.806 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -1.410 0.439 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.165 0.206 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.873 2.917 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.725 1.430 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.889 2.411 -1.149 1.00 0.00 H new ATOM 451 N VAL A2592 -3.347 -2.350 -3.308 1.00 0.00 N ATOM 452 CA VAL A2592 -3.618 -2.901 -4.620 1.00 0.00 C ATOM 453 C VAL A2592 -4.970 -3.645 -4.671 1.00 0.00 C ATOM 454 O VAL A2592 -5.754 -3.447 -5.583 1.00 0.00 O ATOM 455 CB VAL A2592 -2.467 -3.812 -5.111 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.193 -2.999 -5.292 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.216 -4.955 -4.141 1.00 0.00 C ATOM 0 H VAL A2592 -2.483 -2.685 -2.882 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.686 -2.054 -5.302 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.763 -4.237 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.391 -3.651 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.364 -2.213 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.910 -2.549 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.402 -5.577 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.946 -4.551 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.119 -5.558 -4.047 1.00 0.00 H new ATOM 467 N GLU A2593 -5.270 -4.423 -3.634 1.00 0.00 N ATOM 468 CA GLU A2593 -6.495 -5.193 -3.580 1.00 0.00 C ATOM 469 C GLU A2593 -7.685 -4.266 -3.452 1.00 0.00 C ATOM 470 O GLU A2593 -8.698 -4.432 -4.122 1.00 0.00 O ATOM 471 CB GLU A2593 -6.464 -6.145 -2.396 1.00 0.00 C ATOM 472 CG GLU A2593 -5.380 -7.202 -2.460 1.00 0.00 C ATOM 473 CD GLU A2593 -5.451 -8.162 -1.302 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.145 -9.197 -1.408 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.818 -7.910 -0.262 1.00 0.00 O ATOM 0 H GLU A2593 -4.671 -4.532 -2.816 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.585 -5.770 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.332 -5.564 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.432 -6.641 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.470 -7.756 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.403 -6.718 -2.469 1.00 0.00 H new ATOM 482 N TRP A2594 -7.515 -3.272 -2.617 1.00 0.00 N ATOM 483 CA TRP A2594 -8.526 -2.264 -2.319 1.00 0.00 C ATOM 484 C TRP A2594 -8.892 -1.503 -3.611 1.00 0.00 C ATOM 485 O TRP A2594 -10.026 -1.109 -3.808 1.00 0.00 O ATOM 486 CB TRP A2594 -7.934 -1.303 -1.272 1.00 0.00 C ATOM 487 CG TRP A2594 -8.922 -0.551 -0.439 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.499 -0.999 0.708 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.428 0.779 -0.646 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.328 -0.049 1.225 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.314 1.049 0.417 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.235 1.765 -1.621 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.996 2.255 0.537 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.915 2.955 -1.492 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.785 3.192 -0.425 1.00 0.00 C ATOM 0 H TRP A2594 -6.645 -3.129 -2.105 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.434 -2.724 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.289 -1.876 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.300 -0.582 -1.788 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.325 -1.970 1.147 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.873 -0.144 2.082 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.569 1.596 -2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.667 2.440 1.363 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.772 3.726 -2.235 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.300 4.139 -0.363 1.00 0.00 H new ATOM 506 N LEU A2595 -7.917 -1.357 -4.490 1.00 0.00 N ATOM 507 CA LEU A2595 -8.096 -0.681 -5.783 1.00 0.00 C ATOM 508 C LEU A2595 -8.948 -1.491 -6.735 1.00 0.00 C ATOM 509 O LEU A2595 -9.715 -0.929 -7.516 1.00 0.00 O ATOM 510 CB LEU A2595 -6.745 -0.352 -6.408 1.00 0.00 C ATOM 511 CG LEU A2595 -6.090 0.975 -5.990 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.304 1.288 -4.523 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.609 0.930 -6.293 1.00 0.00 C ATOM 0 H LEU A2595 -6.970 -1.702 -4.336 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.628 0.251 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.055 -1.161 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.865 -0.345 -7.491 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.567 1.769 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.822 2.235 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.372 1.361 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.872 0.493 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.148 1.872 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.149 0.111 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.461 0.775 -7.362 1.00 0.00 H new ATOM 525 N LYS A2596 -8.820 -2.815 -6.691 1.00 0.00 N ATOM 526 CA LYS A2596 -9.704 -3.661 -7.499 1.00 0.00 C ATOM 527 C LYS A2596 -11.134 -3.567 -7.001 1.00 0.00 C ATOM 528 O LYS A2596 -12.083 -3.685 -7.776 1.00 0.00 O ATOM 529 CB LYS A2596 -9.270 -5.140 -7.578 1.00 0.00 C ATOM 530 CG LYS A2596 -8.072 -5.413 -8.471 1.00 0.00 C ATOM 531 CD LYS A2596 -6.762 -5.125 -7.792 1.00 0.00 C ATOM 532 CE LYS A2596 -5.618 -5.115 -8.777 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.656 -3.912 -9.630 1.00 0.00 N ATOM 0 H LYS A2596 -8.136 -3.316 -6.124 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.632 -3.270 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.040 -5.489 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -10.113 -5.731 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -8.091 -6.456 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -8.150 -4.805 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.817 -4.161 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -6.576 -5.876 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -4.671 -5.152 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.665 -6.008 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.726 -3.771 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.376 -4.034 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.893 -3.082 -9.050 1.00 0.00 H new ATOM 547 N LEU A2597 -11.272 -3.337 -5.715 1.00 0.00 N ATOM 548 CA LEU A2597 -12.566 -3.185 -5.083 1.00 0.00 C ATOM 549 C LEU A2597 -13.151 -1.805 -5.316 1.00 0.00 C ATOM 550 O LEU A2597 -14.356 -1.661 -5.483 1.00 0.00 O ATOM 551 CB LEU A2597 -12.486 -3.450 -3.571 1.00 0.00 C ATOM 552 CG LEU A2597 -12.561 -4.907 -3.095 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.443 -5.773 -3.646 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.592 -4.960 -1.584 1.00 0.00 C ATOM 0 H LEU A2597 -10.485 -3.249 -5.072 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.221 -3.925 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.551 -3.026 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.295 -2.899 -3.091 1.00 0.00 H new ATOM 0 HG LEU A2597 -13.488 -5.323 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.553 -6.791 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.491 -5.779 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -10.481 -5.372 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.645 -5.999 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.688 -4.500 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -13.465 -4.420 -1.219 1.00 0.00 H new ATOM 566 N HIS A2598 -12.314 -0.795 -5.331 1.00 0.00 N ATOM 567 CA HIS A2598 -12.792 0.567 -5.442 1.00 0.00 C ATOM 568 C HIS A2598 -12.097 1.313 -6.564 1.00 0.00 C ATOM 569 O HIS A2598 -11.124 2.014 -6.331 1.00 0.00 O ATOM 570 CB HIS A2598 -12.603 1.339 -4.115 1.00 0.00 C ATOM 571 CG HIS A2598 -13.241 0.675 -2.918 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.605 0.604 -2.693 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.666 0.018 -1.888 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.797 -0.077 -1.562 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.651 -0.454 -1.032 1.00 0.00 N ATOM 0 H HIS A2598 -11.300 -0.888 -5.268 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.856 0.508 -5.669 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.536 1.458 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -13.020 2.340 -4.227 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.603 -0.119 -1.751 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.766 -0.291 -1.136 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.516 -0.983 -0.171 1.00 0.00 H new ATOM 583 N PRO A2599 -12.563 1.164 -7.809 1.00 0.00 N ATOM 584 CA PRO A2599 -11.990 1.894 -8.946 1.00 0.00 C ATOM 585 C PRO A2599 -12.380 3.376 -8.885 1.00 0.00 C ATOM 586 O PRO A2599 -11.781 4.231 -9.525 1.00 0.00 O ATOM 587 CB PRO A2599 -12.635 1.224 -10.163 1.00 0.00 C ATOM 588 CG PRO A2599 -13.909 0.651 -9.650 1.00 0.00 C ATOM 589 CD PRO A2599 -13.650 0.253 -8.225 1.00 0.00 C ATOM 0 HA PRO A2599 -10.901 1.862 -8.966 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.818 1.944 -10.961 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.990 0.448 -10.576 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.715 1.382 -9.709 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.215 -0.210 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.538 0.377 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.351 -0.792 -8.147 1.00 0.00 H new ATOM 597 N THR A2600 -13.364 3.653 -8.063 1.00 0.00 N ATOM 598 CA THR A2600 -13.919 4.962 -7.862 1.00 0.00 C ATOM 599 C THR A2600 -13.262 5.666 -6.672 1.00 0.00 C ATOM 600 O THR A2600 -13.811 6.625 -6.092 1.00 0.00 O ATOM 601 CB THR A2600 -15.390 4.778 -7.588 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.542 3.634 -6.729 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.152 4.551 -8.873 1.00 0.00 C ATOM 0 H THR A2600 -13.816 2.938 -7.493 1.00 0.00 H new ATOM 0 HA THR A2600 -13.747 5.579 -8.744 1.00 0.00 H new ATOM 0 HB THR A2600 -15.789 5.675 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.492 3.495 -6.535 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.211 4.421 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.023 5.411 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.773 3.657 -9.368 1.00 0.00 H new ATOM 611 N TYR A2601 -12.098 5.203 -6.309 1.00 0.00 N ATOM 612 CA TYR A2601 -11.390 5.790 -5.214 1.00 0.00 C ATOM 613 C TYR A2601 -10.465 6.884 -5.758 1.00 0.00 C ATOM 614 O TYR A2601 -10.313 7.038 -6.985 1.00 0.00 O ATOM 615 CB TYR A2601 -10.552 4.716 -4.485 1.00 0.00 C ATOM 616 CG TYR A2601 -9.141 4.538 -5.030 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.907 4.078 -6.319 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.051 4.884 -4.252 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.633 3.978 -6.811 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.776 4.777 -4.729 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.564 4.330 -6.011 1.00 0.00 C ATOM 622 OH TYR A2601 -5.275 4.241 -6.501 1.00 0.00 O ATOM 0 H TYR A2601 -11.622 4.420 -6.758 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.100 6.217 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.490 4.977 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.075 3.762 -4.547 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.742 3.795 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.212 5.246 -3.247 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.465 3.626 -7.818 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.938 5.042 -4.102 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.642 4.527 -5.810 1.00 0.00 H new ATOM 632 N THR A2602 -9.854 7.611 -4.881 1.00 0.00 N ATOM 633 CA THR A2602 -8.858 8.539 -5.252 1.00 0.00 C ATOM 634 C THR A2602 -7.840 8.611 -4.107 1.00 0.00 C ATOM 635 O THR A2602 -8.130 8.163 -2.977 1.00 0.00 O ATOM 636 CB THR A2602 -9.461 9.932 -5.608 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.491 10.730 -6.297 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.927 10.674 -4.369 1.00 0.00 C ATOM 0 H THR A2602 -10.040 7.571 -3.879 1.00 0.00 H new ATOM 0 HA THR A2602 -8.358 8.209 -6.163 1.00 0.00 H new ATOM 0 HB THR A2602 -10.324 9.758 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.881 11.602 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.341 11.640 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.693 10.088 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.082 10.827 -3.697 1.00 0.00 H new ATOM 646 N VAL A2603 -6.668 9.104 -4.392 1.00 0.00 N ATOM 647 CA VAL A2603 -5.614 9.189 -3.404 1.00 0.00 C ATOM 648 C VAL A2603 -5.831 10.441 -2.570 1.00 0.00 C ATOM 649 O VAL A2603 -5.861 11.542 -3.107 1.00 0.00 O ATOM 650 CB VAL A2603 -4.212 9.229 -4.080 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.100 9.250 -3.043 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.038 8.045 -5.025 1.00 0.00 C ATOM 0 H VAL A2603 -6.410 9.460 -5.313 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.647 8.304 -2.768 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.148 10.150 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.134 9.278 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.207 10.133 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.162 8.354 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.052 8.091 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.133 7.115 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.804 8.082 -5.799 1.00 0.00 H new ATOM 662 N ASP A2604 -5.987 10.273 -1.275 1.00 0.00 N ATOM 663 CA ASP A2604 -6.289 11.403 -0.399 1.00 0.00 C ATOM 664 C ASP A2604 -5.024 12.136 -0.037 1.00 0.00 C ATOM 665 O ASP A2604 -4.995 13.367 0.004 1.00 0.00 O ATOM 666 CB ASP A2604 -7.001 10.951 0.876 1.00 0.00 C ATOM 667 CG ASP A2604 -7.447 12.120 1.734 1.00 0.00 C ATOM 668 OD1 ASP A2604 -6.663 12.611 2.576 1.00 0.00 O ATOM 669 OD2 ASP A2604 -8.598 12.555 1.601 1.00 0.00 O ATOM 0 H ASP A2604 -5.912 9.374 -0.800 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.956 12.071 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.869 10.347 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.334 10.313 1.455 1.00 0.00 H new