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= -2.46! C(o=0.058!,f=-10!) USER MOD Set 1.2: A2598 HIS : no HE2:sc= 1.06 K(o=0.058,f=-6.9!) USER MOD Set 1.3: A2600 THR OG1 : rot 172:sc= 1.46 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= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A2589 LYS NZ :NH3+ 141:sc= 1.19 (180deg=0.0899) USER MOD Single : A2596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 5.674 -2.369 2.904 1.00 0.00 N ATOM 33 CA PRO A2565 4.325 -2.883 2.707 1.00 0.00 C ATOM 34 C PRO A2565 3.352 -2.453 3.822 1.00 0.00 C ATOM 35 O PRO A2565 2.127 -2.496 3.634 1.00 0.00 O ATOM 36 CB PRO A2565 4.481 -4.405 2.680 1.00 0.00 C ATOM 37 CG PRO A2565 5.855 -4.697 3.162 1.00 0.00 C ATOM 38 CD PRO A2565 6.668 -3.443 3.020 1.00 0.00 C ATOM 0 HA PRO A2565 3.892 -2.487 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A2565 3.737 -4.883 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.333 -4.792 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A2565 5.834 -5.023 4.202 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.299 -5.507 2.583 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.317 -3.291 3.883 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.311 -3.485 2.141 1.00 0.00 H new ATOM 46 N ASP A2566 3.888 -2.002 4.955 1.00 0.00 N ATOM 47 CA ASP A2566 3.046 -1.568 6.073 1.00 0.00 C ATOM 48 C ASP A2566 2.670 -0.105 5.937 1.00 0.00 C ATOM 49 O ASP A2566 1.664 0.339 6.515 1.00 0.00 O ATOM 50 CB ASP A2566 3.710 -1.860 7.434 1.00 0.00 C ATOM 51 CG ASP A2566 3.039 -1.187 8.614 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.024 -1.704 9.128 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.537 -0.124 9.061 1.00 0.00 O ATOM 0 H ASP A2566 4.891 -1.927 5.124 1.00 0.00 H new ATOM 0 HA ASP A2566 2.125 -2.150 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A2566 3.713 -2.937 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.751 -1.540 7.393 1.00 0.00 H new ATOM 58 N THR A2567 3.447 0.629 5.129 1.00 0.00 N ATOM 59 CA THR A2567 3.202 2.034 4.873 1.00 0.00 C ATOM 60 C THR A2567 1.756 2.226 4.438 1.00 0.00 C ATOM 61 O THR A2567 1.293 1.594 3.499 1.00 0.00 O ATOM 62 CB THR A2567 4.133 2.549 3.760 1.00 0.00 C ATOM 63 OG1 THR A2567 5.500 2.324 4.134 1.00 0.00 O ATOM 64 CG2 THR A2567 3.916 4.032 3.507 1.00 0.00 C ATOM 0 H THR A2567 4.260 0.255 4.640 1.00 0.00 H new ATOM 0 HA THR A2567 3.396 2.594 5.788 1.00 0.00 H new ATOM 0 HB THR A2567 3.903 2.006 2.844 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.091 2.651 3.424 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.587 4.368 2.716 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.883 4.202 3.203 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.122 4.591 4.420 1.00 0.00 H new ATOM 72 N ARG A2568 1.056 3.042 5.162 1.00 0.00 N ATOM 73 CA ARG A2568 -0.332 3.270 4.901 1.00 0.00 C ATOM 74 C ARG A2568 -0.509 4.206 3.730 1.00 0.00 C ATOM 75 O ARG A2568 0.290 5.128 3.527 1.00 0.00 O ATOM 76 CB ARG A2568 -1.013 3.863 6.107 1.00 0.00 C ATOM 77 CG ARG A2568 -1.011 3.023 7.360 1.00 0.00 C ATOM 78 CD ARG A2568 -1.710 1.699 7.158 1.00 0.00 C ATOM 79 NE ARG A2568 -2.016 1.054 8.453 1.00 0.00 N ATOM 80 CZ ARG A2568 -1.240 0.168 9.098 1.00 0.00 C ATOM 81 NH1 ARG A2568 -0.042 -0.142 8.616 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.653 -0.372 10.246 1.00 0.00 N ATOM 0 H ARG A2568 1.430 3.569 5.951 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.784 2.306 4.667 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.536 4.816 6.334 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.048 4.080 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.017 2.845 7.675 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.500 3.572 8.165 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.633 1.853 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.081 1.040 6.560 1.00 0.00 H new ATOM 0 HE ARG A2568 -2.899 1.306 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.290 0.293 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A2568 0.547 -0.815 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -2.559 -0.112 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -1.062 -1.045 10.735 1.00 0.00 H new ATOM 96 N ILE A2569 -1.541 3.975 2.980 1.00 0.00 N ATOM 97 CA ILE A2569 -1.854 4.773 1.839 1.00 0.00 C ATOM 98 C ILE A2569 -3.172 5.509 2.121 1.00 0.00 C ATOM 99 O ILE A2569 -4.242 4.901 2.129 1.00 0.00 O ATOM 100 CB ILE A2569 -1.997 3.891 0.573 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.791 2.920 0.445 1.00 0.00 C ATOM 102 CG2 ILE A2569 -2.113 4.769 -0.677 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.565 3.594 0.247 1.00 0.00 C ATOM 0 H ILE A2569 -2.199 3.214 3.147 1.00 0.00 H new ATOM 0 HA ILE A2569 -1.050 5.486 1.656 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.907 3.298 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.745 2.302 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.972 2.249 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.213 4.136 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.989 5.411 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.219 5.386 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.342 2.833 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.546 4.188 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.777 4.242 1.097 1.00 0.00 H new ATOM 115 N PRO A2570 -3.097 6.807 2.421 1.00 0.00 N ATOM 116 CA PRO A2570 -4.267 7.615 2.766 1.00 0.00 C ATOM 117 C PRO A2570 -5.150 7.916 1.556 1.00 0.00 C ATOM 118 O PRO A2570 -4.845 8.789 0.718 1.00 0.00 O ATOM 119 CB PRO A2570 -3.660 8.893 3.331 1.00 0.00 C ATOM 120 CG PRO A2570 -2.332 8.988 2.681 1.00 0.00 C ATOM 121 CD PRO A2570 -1.864 7.590 2.435 1.00 0.00 C ATOM 0 HA PRO A2570 -4.927 7.101 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.278 9.761 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.569 8.844 4.416 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.400 9.542 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.628 9.524 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.328 7.508 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.184 7.252 3.217 1.00 0.00 H new ATOM 129 N VAL A2571 -6.231 7.203 1.462 1.00 0.00 N ATOM 130 CA VAL A2571 -7.114 7.304 0.331 1.00 0.00 C ATOM 131 C VAL A2571 -8.524 7.676 0.752 1.00 0.00 C ATOM 132 O VAL A2571 -8.892 7.559 1.931 1.00 0.00 O ATOM 133 CB VAL A2571 -7.144 5.988 -0.492 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.787 5.709 -1.112 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.563 4.814 0.374 1.00 0.00 C ATOM 0 H VAL A2571 -6.530 6.531 2.168 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.718 8.100 -0.300 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.877 6.114 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.832 4.782 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.513 6.531 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -5.040 5.613 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.576 3.905 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.855 4.696 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.559 4.996 0.777 1.00 0.00 H new ATOM 145 N ILE A2572 -9.292 8.113 -0.199 1.00 0.00 N ATOM 146 CA ILE A2572 -10.657 8.496 0.010 1.00 0.00 C ATOM 147 C ILE A2572 -11.511 7.880 -1.096 1.00 0.00 C ATOM 148 O ILE A2572 -11.092 7.824 -2.258 1.00 0.00 O ATOM 149 CB ILE A2572 -10.813 10.064 0.074 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.296 10.489 0.172 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.122 10.743 -1.100 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.518 11.984 0.303 1.00 0.00 C ATOM 0 H ILE A2572 -8.981 8.216 -1.165 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.999 8.120 0.974 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.318 10.397 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.821 10.133 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.747 9.992 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.250 11.823 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.059 10.502 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.561 10.391 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.587 12.189 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.026 12.347 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.101 12.491 -0.567 1.00 0.00 H new ATOM 164 N ASN A2573 -12.657 7.366 -0.736 1.00 0.00 N ATOM 165 CA ASN A2573 -13.518 6.729 -1.698 1.00 0.00 C ATOM 166 C ASN A2573 -14.578 7.711 -2.119 1.00 0.00 C ATOM 167 O ASN A2573 -15.276 8.258 -1.277 1.00 0.00 O ATOM 168 CB ASN A2573 -14.221 5.516 -1.115 1.00 0.00 C ATOM 169 CG ASN A2573 -14.792 4.629 -2.207 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.075 5.082 -3.315 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.034 3.405 -1.900 1.00 0.00 N ATOM 0 H ASN A2573 -13.017 7.376 0.218 1.00 0.00 H new ATOM 0 HA ASN A2573 -12.900 6.408 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.519 4.943 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.023 5.842 -0.452 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -15.470 2.785 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -14.790 3.054 -0.974 1.00 0.00 H new ATOM 178 N LEU A2574 -14.726 7.908 -3.396 1.00 0.00 N ATOM 179 CA LEU A2574 -15.694 8.842 -3.906 1.00 0.00 C ATOM 180 C LEU A2574 -17.096 8.212 -4.042 1.00 0.00 C ATOM 181 O LEU A2574 -18.089 8.928 -4.180 1.00 0.00 O ATOM 182 CB LEU A2574 -15.205 9.422 -5.228 1.00 0.00 C ATOM 183 CG LEU A2574 -13.836 10.118 -5.173 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.420 10.591 -6.546 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.853 11.286 -4.194 1.00 0.00 C ATOM 0 H LEU A2574 -14.182 7.429 -4.114 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.796 9.654 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.156 8.618 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.944 10.138 -5.587 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.107 9.389 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.448 11.081 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.353 9.737 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.158 11.297 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.871 11.760 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.601 12.014 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -14.099 10.921 -3.197 1.00 0.00 H new ATOM 197 N GLU A2575 -17.187 6.873 -3.994 1.00 0.00 N ATOM 198 CA GLU A2575 -18.502 6.221 -4.109 1.00 0.00 C ATOM 199 C GLU A2575 -19.243 6.335 -2.781 1.00 0.00 C ATOM 200 O GLU A2575 -20.455 6.463 -2.737 1.00 0.00 O ATOM 201 CB GLU A2575 -18.386 4.726 -4.521 1.00 0.00 C ATOM 202 CG GLU A2575 -17.897 3.797 -3.417 1.00 0.00 C ATOM 203 CD GLU A2575 -17.719 2.363 -3.826 1.00 0.00 C ATOM 204 OE1 GLU A2575 -18.716 1.624 -3.894 1.00 0.00 O ATOM 205 OE2 GLU A2575 -16.564 1.935 -4.040 1.00 0.00 O ATOM 0 H GLU A2575 -16.396 6.239 -3.880 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.057 6.732 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -19.362 4.381 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -17.706 4.649 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -16.945 4.173 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.604 3.838 -2.589 1.00 0.00 H new ATOM 212 N ASP A2576 -18.483 6.295 -1.707 1.00 0.00 N ATOM 213 CA ASP A2576 -19.042 6.350 -0.358 1.00 0.00 C ATOM 214 C ASP A2576 -18.826 7.697 0.278 1.00 0.00 C ATOM 215 O ASP A2576 -19.753 8.308 0.788 1.00 0.00 O ATOM 216 CB ASP A2576 -18.429 5.266 0.543 1.00 0.00 C ATOM 217 CG ASP A2576 -18.914 5.367 1.986 1.00 0.00 C ATOM 218 OD1 ASP A2576 -20.013 4.872 2.294 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.211 5.949 2.834 1.00 0.00 O ATOM 0 H ASP A2576 -17.466 6.224 -1.735 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.113 6.174 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.680 4.282 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.343 5.351 0.521 1.00 0.00 H new ATOM 224 N GLY A2577 -17.606 8.163 0.226 1.00 0.00 N ATOM 225 CA GLY A2577 -17.252 9.384 0.898 1.00 0.00 C ATOM 226 C GLY A2577 -16.295 9.103 2.036 1.00 0.00 C ATOM 227 O GLY A2577 -15.814 10.027 2.695 1.00 0.00 O ATOM 0 H GLY A2577 -16.840 7.714 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.793 10.075 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.150 9.869 1.281 1.00 0.00 H new ATOM 231 N THR A2578 -16.036 7.819 2.272 1.00 0.00 N ATOM 232 CA THR A2578 -15.139 7.372 3.318 1.00 0.00 C ATOM 233 C THR A2578 -13.709 7.839 3.017 1.00 0.00 C ATOM 234 O THR A2578 -13.356 8.078 1.858 1.00 0.00 O ATOM 235 CB THR A2578 -15.185 5.806 3.486 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.622 5.420 4.745 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.421 5.088 2.381 1.00 0.00 C ATOM 0 H THR A2578 -16.450 7.058 1.734 1.00 0.00 H new ATOM 0 HA THR A2578 -15.468 7.813 4.259 1.00 0.00 H new ATOM 0 HB THR A2578 -16.235 5.518 3.433 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.660 4.445 4.835 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.480 4.011 2.538 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.858 5.338 1.414 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.377 5.400 2.398 1.00 0.00 H new ATOM 245 N ARG A2579 -12.904 7.938 4.026 1.00 0.00 N ATOM 246 CA ARG A2579 -11.573 8.404 3.889 1.00 0.00 C ATOM 247 C ARG A2579 -10.788 7.765 4.957 1.00 0.00 C ATOM 248 O ARG A2579 -11.169 7.806 6.124 1.00 0.00 O ATOM 249 CB ARG A2579 -11.457 9.937 3.945 1.00 0.00 C ATOM 250 CG ARG A2579 -10.023 10.409 3.748 1.00 0.00 C ATOM 251 CD ARG A2579 -9.900 11.904 3.507 1.00 0.00 C ATOM 252 NE ARG A2579 -10.274 12.731 4.656 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.893 14.013 4.816 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.028 14.572 3.966 1.00 0.00 N ATOM 255 NH2 ARG A2579 -10.329 14.710 5.853 1.00 0.00 N ATOM 0 H ARG A2579 -13.163 7.692 4.981 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.194 8.136 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.092 10.377 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.827 10.294 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.438 10.142 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.587 9.877 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -8.871 12.132 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.527 12.176 2.658 1.00 0.00 H new ATOM 0 HE ARG A2579 -10.858 12.311 5.379 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.652 14.028 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -8.744 15.543 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -10.954 14.276 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -10.040 15.681 5.973 1.00 0.00 H new ATOM 269 N LEU A2580 -9.750 7.131 4.571 1.00 0.00 N ATOM 270 CA LEU A2580 -8.977 6.375 5.473 1.00 0.00 C ATOM 271 C LEU A2580 -7.588 6.934 5.450 1.00 0.00 C ATOM 272 O LEU A2580 -6.843 6.733 4.488 1.00 0.00 O ATOM 273 CB LEU A2580 -8.990 4.866 5.086 1.00 0.00 C ATOM 274 CG LEU A2580 -10.379 4.178 4.881 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.337 4.422 6.030 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.003 4.513 3.528 1.00 0.00 C ATOM 0 H LEU A2580 -9.409 7.122 3.610 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.389 6.440 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.420 4.752 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.455 4.317 5.861 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.180 3.106 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.283 3.919 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.907 4.030 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.511 5.493 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.966 4.010 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.148 5.591 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.341 4.178 2.729 1.00 0.00 H new ATOM 288 N VAL A2581 -7.271 7.704 6.449 1.00 0.00 N ATOM 289 CA VAL A2581 -5.983 8.336 6.557 1.00 0.00 C ATOM 290 C VAL A2581 -5.346 7.956 7.879 1.00 0.00 C ATOM 291 O VAL A2581 -6.041 7.541 8.816 1.00 0.00 O ATOM 292 CB VAL A2581 -6.057 9.898 6.411 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.556 10.300 5.027 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.940 10.521 7.486 1.00 0.00 C ATOM 0 H VAL A2581 -7.903 7.915 7.221 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.370 7.978 5.730 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.044 10.278 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.596 11.387 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.876 9.912 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.552 9.889 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.967 11.603 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.950 10.120 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.535 10.287 8.470 1.00 0.00 H new ATOM 304 N GLY A2582 -4.050 8.035 7.939 1.00 0.00 N ATOM 305 CA GLY A2582 -3.350 7.704 9.150 1.00 0.00 C ATOM 306 C GLY A2582 -3.113 6.232 9.212 1.00 0.00 C ATOM 307 O GLY A2582 -2.743 5.632 8.211 1.00 0.00 O ATOM 0 H GLY A2582 -3.453 8.326 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.400 8.236 9.188 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.930 8.025 10.015 1.00 0.00 H new ATOM 311 N GLU A2583 -3.373 5.629 10.347 1.00 0.00 N ATOM 312 CA GLU A2583 -3.174 4.202 10.487 1.00 0.00 C ATOM 313 C GLU A2583 -4.412 3.438 10.005 1.00 0.00 C ATOM 314 O GLU A2583 -4.343 2.239 9.698 1.00 0.00 O ATOM 315 CB GLU A2583 -2.815 3.815 11.923 1.00 0.00 C ATOM 316 CG GLU A2583 -3.863 4.180 12.953 1.00 0.00 C ATOM 317 CD GLU A2583 -3.572 3.581 14.292 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.856 2.383 14.474 1.00 0.00 O ATOM 319 OE2 GLU A2583 -3.110 4.300 15.206 1.00 0.00 O ATOM 0 H GLU A2583 -3.721 6.098 11.183 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.328 3.923 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -2.643 2.739 11.964 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -1.876 4.298 12.192 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -3.916 5.265 13.046 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -4.841 3.841 12.610 1.00 0.00 H new ATOM 326 N ASP A2584 -5.532 4.161 9.910 1.00 0.00 N ATOM 327 CA ASP A2584 -6.825 3.597 9.459 1.00 0.00 C ATOM 328 C ASP A2584 -6.794 3.313 7.978 1.00 0.00 C ATOM 329 O ASP A2584 -7.619 2.555 7.454 1.00 0.00 O ATOM 330 CB ASP A2584 -7.996 4.547 9.762 1.00 0.00 C ATOM 331 CG ASP A2584 -8.297 4.695 11.233 1.00 0.00 C ATOM 332 OD1 ASP A2584 -7.580 5.440 11.930 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.291 4.104 11.718 1.00 0.00 O ATOM 0 H ASP A2584 -5.577 5.153 10.141 1.00 0.00 H new ATOM 0 HA ASP A2584 -6.977 2.669 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.771 5.529 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.888 4.182 9.253 1.00 0.00 H new ATOM 338 N ALA A2585 -5.848 3.940 7.312 1.00 0.00 N ATOM 339 CA ALA A2585 -5.626 3.776 5.892 1.00 0.00 C ATOM 340 C ALA A2585 -5.194 2.331 5.571 1.00 0.00 C ATOM 341 O ALA A2585 -4.687 1.619 6.452 1.00 0.00 O ATOM 342 CB ALA A2585 -4.551 4.756 5.469 1.00 0.00 C ATOM 0 H ALA A2585 -5.198 4.592 7.752 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.549 3.971 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.364 4.652 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.881 5.773 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.633 4.549 6.019 1.00 0.00 H new ATOM 348 N PRO A2586 -5.448 1.850 4.344 1.00 0.00 N ATOM 349 CA PRO A2586 -4.984 0.528 3.909 1.00 0.00 C ATOM 350 C PRO A2586 -3.455 0.508 3.788 1.00 0.00 C ATOM 351 O PRO A2586 -2.825 1.561 3.574 1.00 0.00 O ATOM 352 CB PRO A2586 -5.639 0.337 2.531 1.00 0.00 C ATOM 353 CG PRO A2586 -5.967 1.714 2.059 1.00 0.00 C ATOM 354 CD PRO A2586 -6.223 2.535 3.293 1.00 0.00 C ATOM 0 HA PRO A2586 -5.247 -0.263 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.962 -0.165 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.536 -0.278 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.145 2.132 1.478 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.843 1.704 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.894 3.566 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.285 2.568 3.537 1.00 0.00 H new ATOM 362 N LYS A2587 -2.852 -0.652 3.953 1.00 0.00 N ATOM 363 CA LYS A2587 -1.437 -0.770 3.880 1.00 0.00 C ATOM 364 C LYS A2587 -1.022 -0.931 2.440 1.00 0.00 C ATOM 365 O LYS A2587 -1.771 -1.481 1.639 1.00 0.00 O ATOM 366 CB LYS A2587 -1.023 -1.980 4.674 1.00 0.00 C ATOM 367 CG LYS A2587 -1.522 -1.946 6.110 1.00 0.00 C ATOM 368 CD LYS A2587 -1.341 -3.275 6.797 1.00 0.00 C ATOM 369 CE LYS A2587 0.093 -3.683 6.801 1.00 0.00 C ATOM 370 NZ LYS A2587 0.313 -4.946 7.538 1.00 0.00 N ATOM 0 H LYS A2587 -3.340 -1.528 4.140 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.958 0.121 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.403 -2.877 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.065 -2.053 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.986 -1.175 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.577 -1.671 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -1.708 -3.212 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -1.937 -4.034 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A2587 0.439 -3.799 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A2587 0.693 -2.892 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 1.324 -5.190 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 0.008 -4.829 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -0.238 -5.708 7.093 1.00 0.00 H new ATOM 384 N ASN A2588 0.177 -0.481 2.137 1.00 0.00 N ATOM 385 CA ASN A2588 0.782 -0.517 0.791 1.00 0.00 C ATOM 386 C ASN A2588 0.702 -1.908 0.163 1.00 0.00 C ATOM 387 O ASN A2588 0.538 -2.043 -1.049 1.00 0.00 O ATOM 388 CB ASN A2588 2.250 -0.064 0.889 1.00 0.00 C ATOM 389 CG ASN A2588 3.026 -0.112 -0.427 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.484 0.102 -1.523 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.302 -0.391 -0.325 1.00 0.00 N ATOM 0 H ASN A2588 0.792 -0.062 2.835 1.00 0.00 H new ATOM 0 HA ASN A2588 0.221 0.159 0.146 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.276 0.956 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.761 -0.692 1.619 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.882 -0.438 -1.162 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.715 -0.561 0.592 1.00 0.00 H new ATOM 398 N LYS A2589 0.771 -2.929 0.989 1.00 0.00 N ATOM 399 CA LYS A2589 0.706 -4.292 0.508 1.00 0.00 C ATOM 400 C LYS A2589 -0.682 -4.664 -0.034 1.00 0.00 C ATOM 401 O LYS A2589 -0.798 -5.185 -1.135 1.00 0.00 O ATOM 402 CB LYS A2589 1.167 -5.277 1.587 1.00 0.00 C ATOM 403 CG LYS A2589 0.453 -5.137 2.939 1.00 0.00 C ATOM 404 CD LYS A2589 0.983 -6.150 3.946 1.00 0.00 C ATOM 405 CE LYS A2589 0.582 -7.569 3.589 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.853 -7.827 3.841 1.00 0.00 N ATOM 0 H LYS A2589 0.872 -2.841 2.000 1.00 0.00 H new ATOM 0 HA LYS A2589 1.394 -4.362 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.020 -6.292 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.238 -5.147 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.594 -4.128 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.619 -5.280 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.070 -6.081 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.606 -5.906 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.803 -7.753 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.182 -8.271 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.238 -8.421 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.963 -8.317 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.368 -6.924 3.870 1.00 0.00 H new ATOM 420 N ASP A2590 -1.724 -4.340 0.707 1.00 0.00 N ATOM 421 CA ASP A2590 -3.097 -4.739 0.344 1.00 0.00 C ATOM 422 C ASP A2590 -3.779 -3.662 -0.462 1.00 0.00 C ATOM 423 O ASP A2590 -4.927 -3.819 -0.905 1.00 0.00 O ATOM 424 CB ASP A2590 -3.921 -5.047 1.592 1.00 0.00 C ATOM 425 CG ASP A2590 -3.364 -6.191 2.407 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.487 -7.372 1.995 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.781 -5.935 3.487 1.00 0.00 O ATOM 0 H ASP A2590 -1.660 -3.800 1.570 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.027 -5.640 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.970 -4.155 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.943 -5.285 1.295 1.00 0.00 H new ATOM 432 N LEU A2591 -3.049 -2.576 -0.652 1.00 0.00 N ATOM 433 CA LEU A2591 -3.470 -1.403 -1.403 1.00 0.00 C ATOM 434 C LEU A2591 -4.070 -1.798 -2.753 1.00 0.00 C ATOM 435 O LEU A2591 -5.169 -1.383 -3.090 1.00 0.00 O ATOM 436 CB LEU A2591 -2.235 -0.435 -1.536 1.00 0.00 C ATOM 437 CG LEU A2591 -2.328 0.841 -2.415 1.00 0.00 C ATOM 438 CD1 LEU A2591 -2.202 0.532 -3.882 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.583 1.638 -2.097 1.00 0.00 C ATOM 0 H LEU A2591 -2.107 -2.483 -0.272 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.266 -0.877 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.967 -0.114 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.401 -1.027 -1.914 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.474 1.471 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -2.273 1.456 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -1.238 0.060 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.003 -0.144 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.620 2.526 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.462 1.022 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.567 1.938 -1.049 1.00 0.00 H new ATOM 451 N VAL A2592 -3.370 -2.640 -3.478 1.00 0.00 N ATOM 452 CA VAL A2592 -3.796 -3.052 -4.807 1.00 0.00 C ATOM 453 C VAL A2592 -5.183 -3.716 -4.818 1.00 0.00 C ATOM 454 O VAL A2592 -5.980 -3.465 -5.705 1.00 0.00 O ATOM 455 CB VAL A2592 -2.760 -3.957 -5.495 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.490 -3.182 -5.778 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.442 -5.163 -4.638 1.00 0.00 C ATOM 0 H VAL A2592 -2.493 -3.060 -3.170 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.877 -2.129 -5.381 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.187 -4.302 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.766 -3.835 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.716 -2.340 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.073 -2.813 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.707 -5.787 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -2.038 -4.833 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.352 -5.739 -4.468 1.00 0.00 H new ATOM 467 N GLU A2593 -5.480 -4.521 -3.811 1.00 0.00 N ATOM 468 CA GLU A2593 -6.756 -5.187 -3.746 1.00 0.00 C ATOM 469 C GLU A2593 -7.860 -4.221 -3.414 1.00 0.00 C ATOM 470 O GLU A2593 -8.968 -4.327 -3.938 1.00 0.00 O ATOM 471 CB GLU A2593 -6.745 -6.314 -2.759 1.00 0.00 C ATOM 472 CG GLU A2593 -5.864 -7.472 -3.151 1.00 0.00 C ATOM 473 CD GLU A2593 -6.193 -8.714 -2.376 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.995 -8.741 -1.141 1.00 0.00 O ATOM 475 OE2 GLU A2593 -6.696 -9.678 -2.980 1.00 0.00 O ATOM 0 H GLU A2593 -4.852 -4.724 -3.033 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.944 -5.605 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.415 -5.932 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.765 -6.676 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.977 -7.669 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.820 -7.206 -2.985 1.00 0.00 H new ATOM 482 N TRP A2594 -7.546 -3.276 -2.566 1.00 0.00 N ATOM 483 CA TRP A2594 -8.484 -2.228 -2.190 1.00 0.00 C ATOM 484 C TRP A2594 -8.867 -1.435 -3.454 1.00 0.00 C ATOM 485 O TRP A2594 -10.011 -1.062 -3.651 1.00 0.00 O ATOM 486 CB TRP A2594 -7.837 -1.304 -1.149 1.00 0.00 C ATOM 487 CG TRP A2594 -8.821 -0.526 -0.330 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.393 -0.946 0.826 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.348 0.790 -0.581 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.234 0.011 1.316 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.233 1.082 0.478 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.168 1.748 -1.583 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.931 2.277 0.562 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.867 2.929 -1.489 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.737 3.186 -0.427 1.00 0.00 C ATOM 0 H TRP A2594 -6.636 -3.204 -2.112 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.381 -2.664 -1.750 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.217 -1.903 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.173 -0.607 -1.660 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.209 -1.902 1.293 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.778 -0.065 2.176 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.497 1.566 -2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.603 2.477 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.740 3.678 -2.257 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.266 4.127 -0.392 1.00 0.00 H new ATOM 506 N LEU A2595 -7.887 -1.247 -4.322 1.00 0.00 N ATOM 507 CA LEU A2595 -8.063 -0.556 -5.606 1.00 0.00 C ATOM 508 C LEU A2595 -8.897 -1.375 -6.574 1.00 0.00 C ATOM 509 O LEU A2595 -9.631 -0.819 -7.400 1.00 0.00 O ATOM 510 CB LEU A2595 -6.702 -0.239 -6.221 1.00 0.00 C ATOM 511 CG LEU A2595 -6.025 1.059 -5.777 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.194 1.319 -4.292 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.555 1.019 -6.136 1.00 0.00 C ATOM 0 H LEU A2595 -6.933 -1.570 -4.161 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.598 0.374 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.028 -1.066 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.819 -0.207 -7.304 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.512 1.880 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.696 2.252 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.255 1.394 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.753 0.498 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.077 1.946 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.081 0.175 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.447 0.907 -7.215 1.00 0.00 H new ATOM 525 N LYS A2596 -8.760 -2.688 -6.501 1.00 0.00 N ATOM 526 CA LYS A2596 -9.569 -3.590 -7.313 1.00 0.00 C ATOM 527 C LYS A2596 -11.025 -3.450 -6.907 1.00 0.00 C ATOM 528 O LYS A2596 -11.913 -3.337 -7.749 1.00 0.00 O ATOM 529 CB LYS A2596 -9.142 -5.055 -7.134 1.00 0.00 C ATOM 530 CG LYS A2596 -7.717 -5.370 -7.540 1.00 0.00 C ATOM 531 CD LYS A2596 -7.412 -6.847 -7.333 1.00 0.00 C ATOM 532 CE LYS A2596 -5.972 -7.173 -7.688 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.688 -8.620 -7.569 1.00 0.00 N ATOM 0 H LYS A2596 -8.095 -3.157 -5.887 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.428 -3.320 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.273 -5.329 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.815 -5.686 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.565 -5.105 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.025 -4.765 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.602 -7.117 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.084 -7.448 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.766 -6.845 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.302 -6.616 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.695 -8.801 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -5.860 -8.928 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.310 -9.150 -8.213 1.00 0.00 H new ATOM 547 N LEU A2597 -11.245 -3.417 -5.609 1.00 0.00 N ATOM 548 CA LEU A2597 -12.574 -3.302 -5.048 1.00 0.00 C ATOM 549 C LEU A2597 -13.135 -1.900 -5.225 1.00 0.00 C ATOM 550 O LEU A2597 -14.339 -1.721 -5.385 1.00 0.00 O ATOM 551 CB LEU A2597 -12.557 -3.662 -3.558 1.00 0.00 C ATOM 552 CG LEU A2597 -12.096 -5.079 -3.214 1.00 0.00 C ATOM 553 CD1 LEU A2597 -12.074 -5.280 -1.708 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.999 -6.105 -3.872 1.00 0.00 C ATOM 0 H LEU A2597 -10.503 -3.469 -4.911 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.217 -3.999 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.908 -2.955 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.562 -3.522 -3.160 1.00 0.00 H new ATOM 0 HG LEU A2597 -11.084 -5.214 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.744 -6.294 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.387 -4.565 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.075 -5.126 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.657 -7.108 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -14.021 -5.970 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.969 -5.976 -4.954 1.00 0.00 H new ATOM 566 N HIS A2598 -12.276 -0.907 -5.201 1.00 0.00 N ATOM 567 CA HIS A2598 -12.730 0.459 -5.294 1.00 0.00 C ATOM 568 C HIS A2598 -12.032 1.231 -6.401 1.00 0.00 C ATOM 569 O HIS A2598 -11.067 1.940 -6.155 1.00 0.00 O ATOM 570 CB HIS A2598 -12.569 1.208 -3.959 1.00 0.00 C ATOM 571 CG HIS A2598 -13.253 0.536 -2.792 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.622 0.517 -2.604 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.728 -0.174 -1.761 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.876 -0.179 -1.498 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.758 -0.628 -0.940 1.00 0.00 N ATOM 0 H HIS A2598 -11.266 -1.019 -5.118 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.790 0.401 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.507 1.308 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.968 2.216 -4.069 1.00 0.00 H new ATOM 0 HD1 HIS A2598 -15.316 0.959 -3.207 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.676 -0.358 -1.602 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.866 -0.356 -1.104 1.00 0.00 H new ATOM 583 N PRO A2599 -12.496 1.101 -7.658 1.00 0.00 N ATOM 584 CA PRO A2599 -11.976 1.910 -8.773 1.00 0.00 C ATOM 585 C PRO A2599 -12.560 3.332 -8.697 1.00 0.00 C ATOM 586 O PRO A2599 -12.229 4.232 -9.478 1.00 0.00 O ATOM 587 CB PRO A2599 -12.495 1.174 -10.010 1.00 0.00 C ATOM 588 CG PRO A2599 -13.741 0.489 -9.554 1.00 0.00 C ATOM 589 CD PRO A2599 -13.532 0.139 -8.106 1.00 0.00 C ATOM 0 HA PRO A2599 -10.891 2.018 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.701 1.868 -10.825 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.762 0.457 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.607 1.139 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.930 -0.407 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.452 0.245 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.199 -0.892 -7.987 1.00 0.00 H new ATOM 597 N THR A2600 -13.410 3.482 -7.723 1.00 0.00 N ATOM 598 CA THR A2600 -14.139 4.652 -7.383 1.00 0.00 C ATOM 599 C THR A2600 -13.336 5.549 -6.430 1.00 0.00 C ATOM 600 O THR A2600 -13.789 6.640 -6.052 1.00 0.00 O ATOM 601 CB THR A2600 -15.372 4.148 -6.639 1.00 0.00 C ATOM 602 OG1 THR A2600 -14.954 3.002 -5.852 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.463 3.715 -7.594 1.00 0.00 C ATOM 0 H THR A2600 -13.624 2.710 -7.092 1.00 0.00 H new ATOM 0 HA THR A2600 -14.373 5.236 -8.273 1.00 0.00 H new ATOM 0 HB THR A2600 -15.775 4.949 -6.019 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.685 2.728 -5.259 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.324 3.362 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.759 4.560 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.093 2.910 -8.229 1.00 0.00 H new ATOM 611 N TYR A2601 -12.165 5.097 -6.047 1.00 0.00 N ATOM 612 CA TYR A2601 -11.386 5.795 -5.052 1.00 0.00 C ATOM 613 C TYR A2601 -10.482 6.869 -5.689 1.00 0.00 C ATOM 614 O TYR A2601 -10.437 7.022 -6.915 1.00 0.00 O ATOM 615 CB TYR A2601 -10.512 4.782 -4.272 1.00 0.00 C ATOM 616 CG TYR A2601 -9.115 4.582 -4.834 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.896 4.054 -6.097 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.020 4.975 -4.093 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.628 3.941 -6.599 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.752 4.856 -4.574 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.549 4.345 -5.830 1.00 0.00 C ATOM 622 OH TYR A2601 -5.267 4.250 -6.330 1.00 0.00 O ATOM 0 H TYR A2601 -11.731 4.248 -6.410 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.078 6.294 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.428 5.116 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.023 3.819 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.736 3.728 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.172 5.387 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.469 3.539 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.911 5.162 -3.970 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.630 4.577 -5.661 1.00 0.00 H new ATOM 632 N THR A2602 -9.789 7.593 -4.840 1.00 0.00 N ATOM 633 CA THR A2602 -8.745 8.489 -5.227 1.00 0.00 C ATOM 634 C THR A2602 -7.832 8.657 -3.994 1.00 0.00 C ATOM 635 O THR A2602 -8.260 8.361 -2.861 1.00 0.00 O ATOM 636 CB THR A2602 -9.305 9.856 -5.736 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.259 10.636 -6.336 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.921 10.657 -4.607 1.00 0.00 C ATOM 0 H THR A2602 -9.948 7.567 -3.833 1.00 0.00 H new ATOM 0 HA THR A2602 -8.182 8.085 -6.069 1.00 0.00 H new ATOM 0 HB THR A2602 -10.075 9.633 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.626 11.488 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.300 11.602 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.741 10.091 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.165 10.855 -3.847 1.00 0.00 H new ATOM 646 N VAL A2603 -6.597 9.051 -4.190 1.00 0.00 N ATOM 647 CA VAL A2603 -5.680 9.206 -3.070 1.00 0.00 C ATOM 648 C VAL A2603 -5.835 10.588 -2.466 1.00 0.00 C ATOM 649 O VAL A2603 -5.890 11.592 -3.185 1.00 0.00 O ATOM 650 CB VAL A2603 -4.203 8.960 -3.476 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.271 9.074 -2.264 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.062 7.592 -4.127 1.00 0.00 C ATOM 0 H VAL A2603 -6.199 9.270 -5.103 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.937 8.449 -2.329 1.00 0.00 H new ATOM 0 HB VAL A2603 -3.914 9.727 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.242 8.897 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.353 10.073 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.555 8.334 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.022 7.429 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.373 6.820 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.690 7.546 -5.017 1.00 0.00 H new ATOM 662 N ASP A2604 -5.901 10.649 -1.164 1.00 0.00 N ATOM 663 CA ASP A2604 -6.119 11.906 -0.497 1.00 0.00 C ATOM 664 C ASP A2604 -4.791 12.582 -0.226 1.00 0.00 C ATOM 665 O ASP A2604 -4.567 13.724 -0.632 1.00 0.00 O ATOM 666 CB ASP A2604 -6.900 11.709 0.810 1.00 0.00 C ATOM 667 CG ASP A2604 -7.349 13.022 1.430 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.274 13.658 0.888 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.815 13.433 2.466 1.00 0.00 O ATOM 0 H ASP A2604 -5.807 9.845 -0.543 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.716 12.544 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.773 11.086 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.276 11.170 1.523 1.00 0.00 H new