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= 0.845 K(o=2.2,f=-0.43) USER MOD Set 1.2: A2598 HIS : no HD1:sc=-9.76e-05 K(o=2.2,f=1.5) USER MOD Set 1.3: A2600 THR OG1 : rot -171:sc= 1.39 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A2589 LYS NZ :NH3+ 149:sc= 1.15 (180deg=0.818) USER MOD Single : A2596 LYS NZ :NH3+ -171:sc=-0.00829 (180deg=-0.11) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -140:sc=-0.00372 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.649 -2.181 2.054 1.00 0.00 N ATOM 33 CA PRO A2565 4.346 -2.840 2.072 1.00 0.00 C ATOM 34 C PRO A2565 3.511 -2.479 3.317 1.00 0.00 C ATOM 35 O PRO A2565 2.276 -2.562 3.283 1.00 0.00 O ATOM 36 CB PRO A2565 4.678 -4.344 2.058 1.00 0.00 C ATOM 37 CG PRO A2565 6.125 -4.441 2.389 1.00 0.00 C ATOM 38 CD PRO A2565 6.749 -3.158 1.937 1.00 0.00 C ATOM 0 HA PRO A2565 3.736 -2.526 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.073 -4.885 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.470 -4.782 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.270 -4.587 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.582 -5.293 1.886 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.599 -2.883 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.116 -3.229 0.913 1.00 0.00 H new ATOM 46 N ASP A2566 4.169 -2.032 4.389 1.00 0.00 N ATOM 47 CA ASP A2566 3.448 -1.715 5.619 1.00 0.00 C ATOM 48 C ASP A2566 3.044 -0.249 5.651 1.00 0.00 C ATOM 49 O ASP A2566 2.161 0.136 6.415 1.00 0.00 O ATOM 50 CB ASP A2566 4.278 -2.078 6.856 1.00 0.00 C ATOM 51 CG ASP A2566 3.517 -1.938 8.173 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.681 -2.810 8.488 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.770 -0.979 8.939 1.00 0.00 O ATOM 0 H ASP A2566 5.177 -1.884 4.430 1.00 0.00 H new ATOM 0 HA ASP A2566 2.540 -2.317 5.636 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.629 -3.105 6.758 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.162 -1.441 6.889 1.00 0.00 H new ATOM 58 N THR A2567 3.673 0.558 4.799 1.00 0.00 N ATOM 59 CA THR A2567 3.378 1.982 4.702 1.00 0.00 C ATOM 60 C THR A2567 1.883 2.187 4.417 1.00 0.00 C ATOM 61 O THR A2567 1.307 1.495 3.579 1.00 0.00 O ATOM 62 CB THR A2567 4.222 2.628 3.577 1.00 0.00 C ATOM 63 OG1 THR A2567 5.613 2.371 3.817 1.00 0.00 O ATOM 64 CG2 THR A2567 4.005 4.131 3.512 1.00 0.00 C ATOM 0 H THR A2567 4.400 0.241 4.158 1.00 0.00 H new ATOM 0 HA THR A2567 3.631 2.459 5.649 1.00 0.00 H new ATOM 0 HB THR A2567 3.909 2.191 2.629 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.149 2.778 3.104 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.613 4.552 2.711 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.953 4.339 3.317 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.293 4.582 4.462 1.00 0.00 H new ATOM 72 N ARG A2568 1.276 3.096 5.137 1.00 0.00 N ATOM 73 CA ARG A2568 -0.143 3.340 5.030 1.00 0.00 C ATOM 74 C ARG A2568 -0.436 4.266 3.883 1.00 0.00 C ATOM 75 O ARG A2568 0.248 5.285 3.707 1.00 0.00 O ATOM 76 CB ARG A2568 -0.674 3.943 6.317 1.00 0.00 C ATOM 77 CG ARG A2568 -0.465 3.088 7.544 1.00 0.00 C ATOM 78 CD ARG A2568 -1.160 1.754 7.412 1.00 0.00 C ATOM 79 NE ARG A2568 -1.041 0.960 8.633 1.00 0.00 N ATOM 80 CZ ARG A2568 -1.984 0.145 9.111 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.181 0.071 8.520 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.739 -0.568 10.205 1.00 0.00 N ATOM 0 H ARG A2568 1.752 3.690 5.816 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.638 2.386 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.193 4.908 6.476 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.741 4.134 6.200 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.602 2.930 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.843 3.611 8.422 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.214 1.914 7.183 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.732 1.202 6.575 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.171 1.034 9.160 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.380 0.640 7.697 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -3.896 -0.555 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -0.836 -0.490 10.673 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.454 -1.193 10.577 1.00 0.00 H new ATOM 96 N ILE A2569 -1.440 3.934 3.117 1.00 0.00 N ATOM 97 CA ILE A2569 -1.805 4.728 1.978 1.00 0.00 C ATOM 98 C ILE A2569 -3.135 5.426 2.255 1.00 0.00 C ATOM 99 O ILE A2569 -4.187 4.785 2.247 1.00 0.00 O ATOM 100 CB ILE A2569 -1.965 3.858 0.715 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.764 2.904 0.548 1.00 0.00 C ATOM 102 CG2 ILE A2569 -2.109 4.754 -0.521 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.563 3.587 0.296 1.00 0.00 C ATOM 0 H ILE A2569 -2.024 3.111 3.264 1.00 0.00 H new ATOM 0 HA ILE A2569 -1.012 5.455 1.807 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.865 3.253 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.677 2.293 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.970 2.226 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.222 4.133 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.987 5.390 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.221 5.377 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.345 2.835 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.501 4.175 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.799 4.243 1.134 1.00 0.00 H new ATOM 115 N PRO A2570 -3.105 6.727 2.557 1.00 0.00 N ATOM 116 CA PRO A2570 -4.313 7.487 2.814 1.00 0.00 C ATOM 117 C PRO A2570 -5.136 7.673 1.540 1.00 0.00 C ATOM 118 O PRO A2570 -4.704 8.340 0.582 1.00 0.00 O ATOM 119 CB PRO A2570 -3.801 8.827 3.347 1.00 0.00 C ATOM 120 CG PRO A2570 -2.414 8.942 2.834 1.00 0.00 C ATOM 121 CD PRO A2570 -1.893 7.547 2.682 1.00 0.00 C ATOM 0 HA PRO A2570 -4.979 6.986 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.420 9.653 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.822 8.852 4.437 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.397 9.467 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.793 9.514 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.255 7.453 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.296 7.248 3.543 1.00 0.00 H new ATOM 129 N VAL A2571 -6.294 7.077 1.520 1.00 0.00 N ATOM 130 CA VAL A2571 -7.166 7.110 0.371 1.00 0.00 C ATOM 131 C VAL A2571 -8.588 7.455 0.778 1.00 0.00 C ATOM 132 O VAL A2571 -8.973 7.305 1.948 1.00 0.00 O ATOM 133 CB VAL A2571 -7.157 5.767 -0.423 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.805 5.522 -1.072 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.509 4.593 0.477 1.00 0.00 C ATOM 0 H VAL A2571 -6.667 6.547 2.308 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.780 7.888 -0.287 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.913 5.851 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.829 4.579 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.580 6.335 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -5.035 5.476 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.495 3.671 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.781 4.523 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.504 4.742 0.896 1.00 0.00 H new ATOM 145 N ILE A2572 -9.347 7.921 -0.169 1.00 0.00 N ATOM 146 CA ILE A2572 -10.712 8.308 0.045 1.00 0.00 C ATOM 147 C ILE A2572 -11.568 7.817 -1.133 1.00 0.00 C ATOM 148 O ILE A2572 -11.153 7.909 -2.283 1.00 0.00 O ATOM 149 CB ILE A2572 -10.825 9.869 0.237 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.294 10.315 0.400 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.128 10.628 -0.899 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.477 11.802 0.647 1.00 0.00 C ATOM 0 H ILE A2572 -9.030 8.046 -1.130 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.084 7.846 0.960 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.305 10.121 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.846 10.038 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.738 9.764 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.226 11.701 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.072 10.359 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.590 10.364 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.539 12.026 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.957 12.086 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.067 12.363 -0.193 1.00 0.00 H new ATOM 164 N ASN A2573 -12.723 7.255 -0.849 1.00 0.00 N ATOM 165 CA ASN A2573 -13.603 6.773 -1.911 1.00 0.00 C ATOM 166 C ASN A2573 -14.655 7.802 -2.175 1.00 0.00 C ATOM 167 O ASN A2573 -15.395 8.161 -1.268 1.00 0.00 O ATOM 168 CB ASN A2573 -14.305 5.454 -1.555 1.00 0.00 C ATOM 169 CG ASN A2573 -15.084 4.910 -2.755 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.753 5.193 -3.893 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.087 4.123 -2.519 1.00 0.00 N ATOM 0 H ASN A2573 -13.079 7.118 0.097 1.00 0.00 H new ATOM 0 HA ASN A2573 -12.978 6.595 -2.786 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.567 4.720 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.984 5.613 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.618 3.726 -3.295 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.345 3.900 -1.558 1.00 0.00 H new ATOM 178 N LEU A2574 -14.768 8.243 -3.406 1.00 0.00 N ATOM 179 CA LEU A2574 -15.706 9.299 -3.732 1.00 0.00 C ATOM 180 C LEU A2574 -17.133 8.795 -3.867 1.00 0.00 C ATOM 181 O LEU A2574 -18.070 9.585 -3.837 1.00 0.00 O ATOM 182 CB LEU A2574 -15.273 10.089 -4.970 1.00 0.00 C ATOM 183 CG LEU A2574 -13.946 10.855 -4.853 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.672 11.640 -6.122 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.949 11.786 -3.643 1.00 0.00 C ATOM 0 H LEU A2574 -14.227 7.892 -4.196 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.694 9.985 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.197 9.397 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -16.060 10.802 -5.215 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.150 10.124 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.728 12.176 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.612 10.955 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.479 12.354 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.997 12.314 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.759 12.509 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -14.093 11.201 -2.734 1.00 0.00 H new ATOM 197 N GLU A2575 -17.310 7.496 -4.023 1.00 0.00 N ATOM 198 CA GLU A2575 -18.659 6.955 -4.093 1.00 0.00 C ATOM 199 C GLU A2575 -19.277 6.846 -2.708 1.00 0.00 C ATOM 200 O GLU A2575 -20.428 7.221 -2.505 1.00 0.00 O ATOM 201 CB GLU A2575 -18.707 5.606 -4.786 1.00 0.00 C ATOM 202 CG GLU A2575 -18.309 5.627 -6.237 1.00 0.00 C ATOM 203 CD GLU A2575 -18.557 4.296 -6.885 1.00 0.00 C ATOM 204 OE1 GLU A2575 -17.748 3.375 -6.691 1.00 0.00 O ATOM 205 OE2 GLU A2575 -19.577 4.134 -7.571 1.00 0.00 O ATOM 0 H GLU A2575 -16.560 6.809 -4.102 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.241 7.656 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.051 4.917 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.719 5.209 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -18.872 6.400 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -17.254 5.886 -6.324 1.00 0.00 H new ATOM 212 N ASP A2576 -18.521 6.312 -1.757 1.00 0.00 N ATOM 213 CA ASP A2576 -19.033 6.177 -0.387 1.00 0.00 C ATOM 214 C ASP A2576 -18.892 7.487 0.322 1.00 0.00 C ATOM 215 O ASP A2576 -19.861 8.075 0.792 1.00 0.00 O ATOM 216 CB ASP A2576 -18.255 5.147 0.465 1.00 0.00 C ATOM 217 CG ASP A2576 -18.201 3.751 -0.070 1.00 0.00 C ATOM 218 OD1 ASP A2576 -19.253 3.146 -0.340 1.00 0.00 O ATOM 219 OD2 ASP A2576 -17.088 3.239 -0.246 1.00 0.00 O ATOM 0 H ASP A2576 -17.570 5.970 -1.897 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.067 5.847 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.233 5.506 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.703 5.116 1.458 1.00 0.00 H new ATOM 224 N GLY A2577 -17.676 7.967 0.337 1.00 0.00 N ATOM 225 CA GLY A2577 -17.318 9.102 1.129 1.00 0.00 C ATOM 226 C GLY A2577 -16.384 8.662 2.237 1.00 0.00 C ATOM 227 O GLY A2577 -16.020 9.448 3.114 1.00 0.00 O ATOM 0 H GLY A2577 -16.906 7.575 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.835 9.856 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.211 9.562 1.551 1.00 0.00 H new ATOM 231 N THR A2578 -15.995 7.380 2.189 1.00 0.00 N ATOM 232 CA THR A2578 -15.117 6.807 3.177 1.00 0.00 C ATOM 233 C THR A2578 -13.720 7.394 2.993 1.00 0.00 C ATOM 234 O THR A2578 -13.267 7.614 1.862 1.00 0.00 O ATOM 235 CB THR A2578 -15.088 5.226 3.099 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.552 4.668 4.304 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.247 4.715 1.931 1.00 0.00 C ATOM 0 H THR A2578 -16.287 6.727 1.462 1.00 0.00 H new ATOM 0 HA THR A2578 -15.493 7.058 4.169 1.00 0.00 H new ATOM 0 HB THR A2578 -16.122 4.913 2.955 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.544 3.690 4.237 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.260 3.625 1.923 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.659 5.090 0.994 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.221 5.065 2.041 1.00 0.00 H new ATOM 245 N ARG A2579 -13.075 7.687 4.070 1.00 0.00 N ATOM 246 CA ARG A2579 -11.769 8.262 4.031 1.00 0.00 C ATOM 247 C ARG A2579 -10.919 7.578 5.054 1.00 0.00 C ATOM 248 O ARG A2579 -11.285 7.492 6.229 1.00 0.00 O ATOM 249 CB ARG A2579 -11.847 9.757 4.285 1.00 0.00 C ATOM 250 CG ARG A2579 -10.528 10.473 4.181 1.00 0.00 C ATOM 251 CD ARG A2579 -10.684 11.959 4.436 1.00 0.00 C ATOM 252 NE ARG A2579 -9.411 12.646 4.318 1.00 0.00 N ATOM 253 CZ ARG A2579 -8.854 13.438 5.232 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.490 13.720 6.377 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.653 13.948 4.992 1.00 0.00 N ATOM 0 H ARG A2579 -13.439 7.534 5.010 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.323 8.123 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.544 10.199 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.260 9.923 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.825 10.051 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.104 10.315 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.395 12.380 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.096 12.119 5.432 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.893 12.509 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.413 13.326 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.051 14.328 7.068 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.172 13.731 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.211 14.557 5.680 1.00 0.00 H new ATOM 269 N LEU A2580 -9.815 7.082 4.615 1.00 0.00 N ATOM 270 CA LEU A2580 -8.953 6.297 5.435 1.00 0.00 C ATOM 271 C LEU A2580 -7.562 6.884 5.389 1.00 0.00 C ATOM 272 O LEU A2580 -6.883 6.795 4.365 1.00 0.00 O ATOM 273 CB LEU A2580 -8.958 4.885 4.873 1.00 0.00 C ATOM 274 CG LEU A2580 -10.351 4.290 4.654 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.279 3.023 3.860 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.069 4.070 5.978 1.00 0.00 C ATOM 0 H LEU A2580 -9.478 7.211 3.661 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.286 6.286 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.424 4.885 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.403 4.237 5.551 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.932 5.010 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.283 2.623 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.832 3.228 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.669 2.294 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.056 3.647 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.491 3.383 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.175 5.023 6.497 1.00 0.00 H new ATOM 288 N VAL A2581 -7.164 7.535 6.455 1.00 0.00 N ATOM 289 CA VAL A2581 -5.856 8.151 6.528 1.00 0.00 C ATOM 290 C VAL A2581 -5.146 7.692 7.796 1.00 0.00 C ATOM 291 O VAL A2581 -5.801 7.249 8.744 1.00 0.00 O ATOM 292 CB VAL A2581 -5.934 9.716 6.493 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.648 10.203 5.236 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.613 10.276 7.735 1.00 0.00 C ATOM 0 H VAL A2581 -7.732 7.654 7.294 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.292 7.837 5.650 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.909 10.085 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.687 11.292 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.106 9.862 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.662 9.803 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.647 11.364 7.672 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.628 9.884 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.051 9.981 8.621 1.00 0.00 H new ATOM 304 N GLY A2582 -3.835 7.749 7.797 1.00 0.00 N ATOM 305 CA GLY A2582 -3.074 7.378 8.965 1.00 0.00 C ATOM 306 C GLY A2582 -3.075 5.907 9.187 1.00 0.00 C ATOM 307 O GLY A2582 -2.943 5.138 8.246 1.00 0.00 O ATOM 0 H GLY A2582 -3.273 8.049 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.047 7.727 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.488 7.877 9.841 1.00 0.00 H new ATOM 311 N GLU A2583 -3.288 5.504 10.410 1.00 0.00 N ATOM 312 CA GLU A2583 -3.301 4.097 10.752 1.00 0.00 C ATOM 313 C GLU A2583 -4.593 3.451 10.284 1.00 0.00 C ATOM 314 O GLU A2583 -4.681 2.238 10.159 1.00 0.00 O ATOM 315 CB GLU A2583 -3.110 3.895 12.244 1.00 0.00 C ATOM 316 CG GLU A2583 -1.859 4.551 12.787 1.00 0.00 C ATOM 317 CD GLU A2583 -1.603 4.200 14.221 1.00 0.00 C ATOM 318 OE1 GLU A2583 -2.336 4.672 15.114 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.664 3.435 14.482 1.00 0.00 O ATOM 0 H GLU A2583 -3.457 6.131 11.196 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.467 3.616 10.241 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -3.977 4.293 12.770 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.072 2.826 12.456 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -1.003 4.248 12.184 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -1.949 5.633 12.692 1.00 0.00 H new ATOM 326 N ASP A2584 -5.591 4.276 10.007 1.00 0.00 N ATOM 327 CA ASP A2584 -6.873 3.790 9.494 1.00 0.00 C ATOM 328 C ASP A2584 -6.805 3.576 8.003 1.00 0.00 C ATOM 329 O ASP A2584 -7.758 3.100 7.393 1.00 0.00 O ATOM 330 CB ASP A2584 -8.040 4.733 9.824 1.00 0.00 C ATOM 331 CG ASP A2584 -8.457 4.696 11.271 1.00 0.00 C ATOM 332 OD1 ASP A2584 -9.332 3.879 11.637 1.00 0.00 O ATOM 333 OD2 ASP A2584 -7.952 5.504 12.075 1.00 0.00 O ATOM 0 H ASP A2584 -5.543 5.288 10.127 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.063 2.841 9.994 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.757 5.753 9.562 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.895 4.470 9.202 1.00 0.00 H new ATOM 338 N ALA A2585 -5.690 3.937 7.417 1.00 0.00 N ATOM 339 CA ALA A2585 -5.474 3.747 6.010 1.00 0.00 C ATOM 340 C ALA A2585 -4.928 2.351 5.777 1.00 0.00 C ATOM 341 O ALA A2585 -4.171 1.832 6.612 1.00 0.00 O ATOM 342 CB ALA A2585 -4.501 4.784 5.497 1.00 0.00 C ATOM 0 H ALA A2585 -4.907 4.371 7.906 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.416 3.860 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.340 4.636 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.908 5.781 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.552 4.685 6.024 1.00 0.00 H new ATOM 348 N PRO A2586 -5.310 1.706 4.672 1.00 0.00 N ATOM 349 CA PRO A2586 -4.827 0.371 4.342 1.00 0.00 C ATOM 350 C PRO A2586 -3.331 0.393 4.046 1.00 0.00 C ATOM 351 O PRO A2586 -2.773 1.433 3.634 1.00 0.00 O ATOM 352 CB PRO A2586 -5.620 -0.002 3.078 1.00 0.00 C ATOM 353 CG PRO A2586 -6.019 1.305 2.485 1.00 0.00 C ATOM 354 CD PRO A2586 -6.236 2.228 3.646 1.00 0.00 C ATOM 0 HA PRO A2586 -4.965 -0.339 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -5.011 -0.582 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.492 -0.609 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.243 1.687 1.821 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.927 1.204 1.890 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -6.008 3.262 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.270 2.207 3.989 1.00 0.00 H new ATOM 362 N LYS A2587 -2.672 -0.710 4.293 1.00 0.00 N ATOM 363 CA LYS A2587 -1.268 -0.806 4.016 1.00 0.00 C ATOM 364 C LYS A2587 -1.031 -0.924 2.530 1.00 0.00 C ATOM 365 O LYS A2587 -1.884 -1.409 1.794 1.00 0.00 O ATOM 366 CB LYS A2587 -0.658 -1.986 4.739 1.00 0.00 C ATOM 367 CG LYS A2587 -0.869 -1.933 6.224 1.00 0.00 C ATOM 368 CD LYS A2587 -0.183 -3.067 6.912 1.00 0.00 C ATOM 369 CE LYS A2587 -0.489 -3.047 8.384 1.00 0.00 C ATOM 370 NZ LYS A2587 0.358 -3.988 9.132 1.00 0.00 N ATOM 0 H LYS A2587 -3.089 -1.554 4.686 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.787 0.103 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.089 -2.908 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.411 -2.021 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.492 -0.987 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.936 -1.965 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.507 -4.013 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A2587 0.894 -2.998 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.342 -2.039 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.538 -3.299 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 0.117 -3.944 10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 0.199 -4.953 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 1.358 -3.732 9.004 1.00 0.00 H new ATOM 384 N ASN A2588 0.129 -0.504 2.119 1.00 0.00 N ATOM 385 CA ASN A2588 0.557 -0.483 0.713 1.00 0.00 C ATOM 386 C ASN A2588 0.452 -1.862 0.052 1.00 0.00 C ATOM 387 O ASN A2588 0.129 -1.975 -1.131 1.00 0.00 O ATOM 388 CB ASN A2588 1.991 0.038 0.643 1.00 0.00 C ATOM 389 CG ASN A2588 2.567 0.121 -0.766 1.00 0.00 C ATOM 390 OD1 ASN A2588 1.864 0.371 -1.745 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.853 -0.088 -0.868 1.00 0.00 N ATOM 0 H ASN A2588 0.841 -0.151 2.758 1.00 0.00 H new ATOM 0 HA ASN A2588 -0.111 0.178 0.160 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.026 1.029 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.629 -0.609 1.245 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.306 -0.046 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.404 -0.293 -0.034 1.00 0.00 H new ATOM 398 N LYS A2589 0.690 -2.907 0.816 1.00 0.00 N ATOM 399 CA LYS A2589 0.595 -4.271 0.298 1.00 0.00 C ATOM 400 C LYS A2589 -0.863 -4.657 0.002 1.00 0.00 C ATOM 401 O LYS A2589 -1.141 -5.435 -0.910 1.00 0.00 O ATOM 402 CB LYS A2589 1.214 -5.264 1.287 1.00 0.00 C ATOM 403 CG LYS A2589 0.556 -5.256 2.652 1.00 0.00 C ATOM 404 CD LYS A2589 1.234 -6.207 3.608 1.00 0.00 C ATOM 405 CE LYS A2589 0.537 -6.218 4.948 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.847 -6.738 4.870 1.00 0.00 N ATOM 0 H LYS A2589 0.952 -2.846 1.800 1.00 0.00 H new ATOM 0 HA LYS A2589 1.151 -4.310 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.149 -6.268 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.273 -5.035 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.584 -4.247 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.494 -5.530 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.235 -7.212 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A2589 2.276 -5.915 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A2589 1.111 -6.828 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A2589 0.518 -5.205 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.091 -7.210 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -1.505 -5.950 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -0.918 -7.420 4.088 1.00 0.00 H new ATOM 420 N ASP A2590 -1.786 -4.087 0.755 1.00 0.00 N ATOM 421 CA ASP A2590 -3.207 -4.408 0.612 1.00 0.00 C ATOM 422 C ASP A2590 -3.892 -3.410 -0.282 1.00 0.00 C ATOM 423 O ASP A2590 -5.036 -3.622 -0.702 1.00 0.00 O ATOM 424 CB ASP A2590 -3.915 -4.418 1.968 1.00 0.00 C ATOM 425 CG ASP A2590 -3.314 -5.382 2.959 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.683 -6.570 2.968 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.467 -4.965 3.771 1.00 0.00 O ATOM 0 H ASP A2590 -1.583 -3.396 1.477 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.267 -5.402 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.887 -3.413 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.964 -4.672 1.818 1.00 0.00 H new ATOM 432 N LEU A2591 -3.185 -2.324 -0.577 1.00 0.00 N ATOM 433 CA LEU A2591 -3.689 -1.231 -1.397 1.00 0.00 C ATOM 434 C LEU A2591 -4.242 -1.749 -2.709 1.00 0.00 C ATOM 435 O LEU A2591 -5.371 -1.458 -3.065 1.00 0.00 O ATOM 436 CB LEU A2591 -2.569 -0.233 -1.681 1.00 0.00 C ATOM 437 CG LEU A2591 -2.956 0.975 -2.527 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.910 1.886 -1.776 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.722 1.722 -3.009 1.00 0.00 C ATOM 0 H LEU A2591 -2.231 -2.177 -0.247 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.491 -0.738 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.176 0.124 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.757 -0.760 -2.183 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.483 0.614 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -4.169 2.739 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.815 1.335 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.432 2.240 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -2.027 2.579 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -1.147 2.068 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -1.106 1.056 -3.613 1.00 0.00 H new ATOM 451 N VAL A2592 -3.451 -2.562 -3.380 1.00 0.00 N ATOM 452 CA VAL A2592 -3.808 -3.116 -4.680 1.00 0.00 C ATOM 453 C VAL A2592 -5.144 -3.866 -4.652 1.00 0.00 C ATOM 454 O VAL A2592 -5.921 -3.790 -5.592 1.00 0.00 O ATOM 455 CB VAL A2592 -2.703 -4.042 -5.230 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.438 -3.249 -5.526 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.400 -5.166 -4.256 1.00 0.00 C ATOM 0 H VAL A2592 -2.537 -2.861 -3.041 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.916 -2.261 -5.347 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.067 -4.482 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.671 -3.919 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.656 -2.480 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.081 -2.779 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.618 -5.804 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -2.063 -4.745 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.301 -5.757 -4.091 1.00 0.00 H new ATOM 467 N GLU A2593 -5.420 -4.545 -3.552 1.00 0.00 N ATOM 468 CA GLU A2593 -6.635 -5.290 -3.409 1.00 0.00 C ATOM 469 C GLU A2593 -7.805 -4.357 -3.210 1.00 0.00 C ATOM 470 O GLU A2593 -8.833 -4.512 -3.836 1.00 0.00 O ATOM 471 CB GLU A2593 -6.534 -6.272 -2.262 1.00 0.00 C ATOM 472 CG GLU A2593 -5.447 -7.313 -2.444 1.00 0.00 C ATOM 473 CD GLU A2593 -5.549 -8.444 -1.454 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.219 -8.260 -0.276 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.970 -9.553 -1.851 1.00 0.00 O ATOM 0 H GLU A2593 -4.803 -4.588 -2.741 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.797 -5.858 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.347 -5.722 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.492 -6.777 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.502 -7.716 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.472 -6.835 -2.344 1.00 0.00 H new ATOM 482 N TRP A2594 -7.613 -3.366 -2.372 1.00 0.00 N ATOM 483 CA TRP A2594 -8.640 -2.361 -2.083 1.00 0.00 C ATOM 484 C TRP A2594 -8.974 -1.590 -3.377 1.00 0.00 C ATOM 485 O TRP A2594 -10.116 -1.238 -3.625 1.00 0.00 O ATOM 486 CB TRP A2594 -8.122 -1.409 -0.990 1.00 0.00 C ATOM 487 CG TRP A2594 -9.178 -0.598 -0.294 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.911 -0.995 0.787 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.607 0.744 -0.595 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.767 0.000 1.173 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.608 1.076 0.344 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.256 1.697 -1.562 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.253 2.309 0.348 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.899 2.913 -1.548 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.885 3.212 -0.603 1.00 0.00 C ATOM 0 H TRP A2594 -6.741 -3.223 -1.863 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.550 -2.840 -1.722 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.587 -1.996 -0.244 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.399 -0.727 -1.438 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.827 -1.958 1.269 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.420 -0.052 1.955 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.498 1.481 -2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -12.016 2.541 1.077 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.635 3.656 -2.286 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.365 4.179 -0.628 1.00 0.00 H new ATOM 506 N LEU A2595 -7.960 -1.382 -4.207 1.00 0.00 N ATOM 507 CA LEU A2595 -8.113 -0.734 -5.523 1.00 0.00 C ATOM 508 C LEU A2595 -8.966 -1.568 -6.453 1.00 0.00 C ATOM 509 O LEU A2595 -9.726 -1.037 -7.265 1.00 0.00 O ATOM 510 CB LEU A2595 -6.747 -0.481 -6.154 1.00 0.00 C ATOM 511 CG LEU A2595 -6.065 0.851 -5.832 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.212 1.229 -4.368 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.598 0.769 -6.204 1.00 0.00 C ATOM 0 H LEU A2595 -7.001 -1.656 -3.995 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.616 0.220 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.079 -1.286 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.856 -0.552 -7.236 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.555 1.629 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.713 2.181 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.270 1.321 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.759 0.457 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.111 1.717 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.122 -0.030 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.504 0.561 -7.270 1.00 0.00 H new ATOM 525 N LYS A2596 -8.844 -2.874 -6.326 1.00 0.00 N ATOM 526 CA LYS A2596 -9.644 -3.816 -7.103 1.00 0.00 C ATOM 527 C LYS A2596 -11.119 -3.692 -6.725 1.00 0.00 C ATOM 528 O LYS A2596 -12.014 -3.966 -7.533 1.00 0.00 O ATOM 529 CB LYS A2596 -9.156 -5.247 -6.876 1.00 0.00 C ATOM 530 CG LYS A2596 -7.745 -5.495 -7.359 1.00 0.00 C ATOM 531 CD LYS A2596 -7.263 -6.886 -7.008 1.00 0.00 C ATOM 532 CE LYS A2596 -5.824 -7.108 -7.467 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.689 -7.056 -8.944 1.00 0.00 N ATOM 0 H LYS A2596 -8.189 -3.318 -5.683 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.532 -3.577 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.211 -5.475 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.830 -5.936 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.702 -5.358 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.075 -4.757 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.330 -7.035 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.914 -7.627 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.181 -6.350 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.475 -8.076 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.733 -7.361 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.391 -7.688 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.849 -6.082 -9.273 1.00 0.00 H new ATOM 547 N LEU A2597 -11.357 -3.275 -5.506 1.00 0.00 N ATOM 548 CA LEU A2597 -12.695 -3.047 -5.004 1.00 0.00 C ATOM 549 C LEU A2597 -13.177 -1.635 -5.333 1.00 0.00 C ATOM 550 O LEU A2597 -14.349 -1.427 -5.643 1.00 0.00 O ATOM 551 CB LEU A2597 -12.763 -3.264 -3.476 1.00 0.00 C ATOM 552 CG LEU A2597 -12.842 -4.712 -2.943 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.659 -5.567 -3.348 1.00 0.00 C ATOM 554 CD2 LEU A2597 -13.002 -4.706 -1.440 1.00 0.00 C ATOM 0 H LEU A2597 -10.622 -3.082 -4.826 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.347 -3.769 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.884 -2.795 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.633 -2.725 -3.102 1.00 0.00 H new ATOM 0 HG LEU A2597 -13.719 -5.167 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.779 -6.571 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.604 -5.621 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -10.741 -5.125 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -13.057 -5.732 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -12.148 -4.204 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -13.917 -4.177 -1.174 1.00 0.00 H new ATOM 566 N HIS A2598 -12.278 -0.675 -5.289 1.00 0.00 N ATOM 567 CA HIS A2598 -12.646 0.720 -5.473 1.00 0.00 C ATOM 568 C HIS A2598 -11.840 1.399 -6.565 1.00 0.00 C ATOM 569 O HIS A2598 -10.847 2.042 -6.290 1.00 0.00 O ATOM 570 CB HIS A2598 -12.497 1.521 -4.164 1.00 0.00 C ATOM 571 CG HIS A2598 -13.359 1.023 -3.039 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.673 1.386 -2.859 1.00 0.00 N ATOM 573 CD2 HIS A2598 -13.072 0.166 -2.032 1.00 0.00 C ATOM 574 CE1 HIS A2598 -15.135 0.758 -1.784 1.00 0.00 C ATOM 575 NE2 HIS A2598 -14.201 -0.001 -1.237 1.00 0.00 N ATOM 0 H HIS A2598 -11.283 -0.832 -5.127 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.693 0.711 -5.777 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.454 1.491 -3.849 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.741 2.565 -4.360 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -12.117 -0.313 -1.871 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -16.142 0.855 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -14.290 -0.586 -0.406 1.00 0.00 H new ATOM 583 N PRO A2599 -12.240 1.258 -7.830 1.00 0.00 N ATOM 584 CA PRO A2599 -11.568 1.949 -8.940 1.00 0.00 C ATOM 585 C PRO A2599 -11.903 3.448 -8.911 1.00 0.00 C ATOM 586 O PRO A2599 -11.155 4.301 -9.398 1.00 0.00 O ATOM 587 CB PRO A2599 -12.166 1.285 -10.185 1.00 0.00 C ATOM 588 CG PRO A2599 -13.492 0.758 -9.741 1.00 0.00 C ATOM 589 CD PRO A2599 -13.342 0.397 -8.291 1.00 0.00 C ATOM 0 HA PRO A2599 -10.481 1.875 -8.901 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.278 2.001 -10.999 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.525 0.483 -10.552 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.272 1.507 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.781 -0.113 -10.330 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.259 0.588 -7.734 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.105 -0.659 -8.164 1.00 0.00 H new ATOM 597 N THR A2600 -12.982 3.746 -8.255 1.00 0.00 N ATOM 598 CA THR A2600 -13.530 5.057 -8.121 1.00 0.00 C ATOM 599 C THR A2600 -12.981 5.749 -6.876 1.00 0.00 C ATOM 600 O THR A2600 -13.523 6.757 -6.395 1.00 0.00 O ATOM 601 CB THR A2600 -15.027 4.879 -8.006 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.249 3.671 -7.245 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.662 4.736 -9.380 1.00 0.00 C ATOM 0 H THR A2600 -13.534 3.038 -7.771 1.00 0.00 H new ATOM 0 HA THR A2600 -13.266 5.681 -8.975 1.00 0.00 H new ATOM 0 HB THR A2600 -15.475 5.747 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.202 3.444 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A2600 -16.739 4.609 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.459 5.630 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.243 3.866 -9.886 1.00 0.00 H new ATOM 611 N TYR A2601 -11.871 5.244 -6.386 1.00 0.00 N ATOM 612 CA TYR A2601 -11.272 5.800 -5.222 1.00 0.00 C ATOM 613 C TYR A2601 -10.355 6.943 -5.657 1.00 0.00 C ATOM 614 O TYR A2601 -10.110 7.141 -6.855 1.00 0.00 O ATOM 615 CB TYR A2601 -10.457 4.731 -4.475 1.00 0.00 C ATOM 616 CG TYR A2601 -9.029 4.562 -4.971 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.749 4.146 -6.266 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.971 4.850 -4.139 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.464 4.032 -6.709 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.679 4.731 -4.567 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.422 4.325 -5.861 1.00 0.00 C ATOM 622 OH TYR A2601 -5.124 4.225 -6.315 1.00 0.00 O ATOM 0 H TYR A2601 -11.374 4.448 -6.785 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.045 6.169 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.432 4.987 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.973 3.775 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.563 3.908 -6.934 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.166 5.176 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.266 3.713 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.863 4.954 -3.896 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.506 4.467 -5.594 1.00 0.00 H new ATOM 632 N THR A2602 -9.877 7.676 -4.720 1.00 0.00 N ATOM 633 CA THR A2602 -8.975 8.745 -4.958 1.00 0.00 C ATOM 634 C THR A2602 -7.929 8.710 -3.850 1.00 0.00 C ATOM 635 O THR A2602 -8.238 8.299 -2.720 1.00 0.00 O ATOM 636 CB THR A2602 -9.758 10.076 -4.929 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.842 9.980 -5.866 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.880 11.260 -5.297 1.00 0.00 C ATOM 0 H THR A2602 -10.109 7.546 -3.735 1.00 0.00 H new ATOM 0 HA THR A2602 -8.490 8.654 -5.930 1.00 0.00 H new ATOM 0 HB THR A2602 -10.124 10.242 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.941 10.832 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.471 12.175 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.055 11.335 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.483 11.120 -6.303 1.00 0.00 H new ATOM 646 N VAL A2603 -6.703 9.052 -4.164 1.00 0.00 N ATOM 647 CA VAL A2603 -5.674 9.100 -3.155 1.00 0.00 C ATOM 648 C VAL A2603 -5.887 10.387 -2.370 1.00 0.00 C ATOM 649 O VAL A2603 -6.035 11.455 -2.965 1.00 0.00 O ATOM 650 CB VAL A2603 -4.247 9.063 -3.774 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.182 8.978 -2.686 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.109 7.894 -4.743 1.00 0.00 C ATOM 0 H VAL A2603 -6.395 9.300 -5.104 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.745 8.225 -2.509 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.098 9.991 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.194 8.953 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.258 9.848 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.332 8.071 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.104 7.887 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.286 6.959 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.838 7.999 -5.546 1.00 0.00 H new ATOM 662 N ASP A2604 -5.936 10.284 -1.060 1.00 0.00 N ATOM 663 CA ASP A2604 -6.264 11.431 -0.218 1.00 0.00 C ATOM 664 C ASP A2604 -5.166 12.471 -0.242 1.00 0.00 C ATOM 665 O ASP A2604 -5.430 13.660 -0.329 1.00 0.00 O ATOM 666 CB ASP A2604 -6.579 11.003 1.213 1.00 0.00 C ATOM 667 CG ASP A2604 -6.923 12.166 2.109 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.072 12.607 2.089 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.055 12.639 2.880 1.00 0.00 O ATOM 0 H ASP A2604 -5.754 9.421 -0.548 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.162 11.888 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.412 10.300 1.202 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.721 10.474 1.626 1.00 0.00 H new