USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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= 0.608 K(o=1.9,f=-0.072!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= 0 K(o=1.9,f=1.3) USER MOD Set 1.3: A2600 THR OG1 : rot -163:sc= 1.32 USER MOD Single : A2567 THR OG1 : rot -160:sc= -0.824 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= -0.0722 X(o=-0.072,f=-0.24) USER MOD Single : A2589 LYS NZ :NH3+ 136:sc= 1 (180deg=0.142) USER MOD Single : A2596 LYS NZ :NH3+ -148:sc= -1.75! (180deg=-3.48!) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -140:sc= 0 USER MOD Single : A2605 MET CE :methyl 165:sc= -0.0845 (180deg=-0.418) USER MOD Single : A2607 SER OG : rot 180:sc= 0 USER MOD Single : A2608 TYR OH : rot 180:sc= 0 USER MOD Single : A2611 LYS NZ :NH3+ -150:sc= -1.42 (180deg=-3.18!) USER MOD Single : A2612 ASN : amide:sc= 0.256 K(o=0.26,f=-6.7!) USER MOD Single : A2618 SER OG : rot 180:sc=-0.00277 USER MOD Single : A2619 SER OG : rot 180:sc= 0 USER MOD Single : A2621 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.72) USER MOD Single : A2622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A2563 7.991 0.538 -1.543 1.00 0.00 N ATOM 2 CA LEU A2563 7.508 0.923 -0.229 1.00 0.00 C ATOM 3 C LEU A2563 7.341 -0.309 0.631 1.00 0.00 C ATOM 4 O LEU A2563 7.275 -1.428 0.112 1.00 0.00 O ATOM 5 CB LEU A2563 6.161 1.670 -0.324 1.00 0.00 C ATOM 6 CG LEU A2563 6.149 3.011 -1.071 1.00 0.00 C ATOM 7 CD1 LEU A2563 4.731 3.554 -1.158 1.00 0.00 C ATOM 8 CD2 LEU A2563 7.052 4.025 -0.379 1.00 0.00 C ATOM 0 HA LEU A2563 8.241 1.594 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A2563 5.442 1.008 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A2563 5.801 1.846 0.690 1.00 0.00 H new ATOM 0 HG LEU A2563 6.528 2.841 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A2563 4.738 4.505 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A2563 4.101 2.843 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A2563 4.336 3.703 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A2563 7.027 4.967 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A2563 6.702 4.188 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A2563 8.074 3.646 -0.355 1.00 0.00 H new ATOM 20 N ASP A2564 7.275 -0.103 1.926 1.00 0.00 N ATOM 21 CA ASP A2564 7.073 -1.172 2.896 1.00 0.00 C ATOM 22 C ASP A2564 5.638 -1.640 2.835 1.00 0.00 C ATOM 23 O ASP A2564 4.761 -0.880 2.444 1.00 0.00 O ATOM 24 CB ASP A2564 7.329 -0.664 4.337 1.00 0.00 C ATOM 25 CG ASP A2564 8.758 -0.319 4.643 1.00 0.00 C ATOM 26 OD1 ASP A2564 9.231 0.755 4.207 1.00 0.00 O ATOM 27 OD2 ASP A2564 9.429 -1.115 5.326 1.00 0.00 O ATOM 0 H ASP A2564 7.360 0.822 2.348 1.00 0.00 H new ATOM 0 HA ASP A2564 7.766 -1.978 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A2564 6.713 0.218 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A2564 6.997 -1.428 5.040 1.00 0.00 H new ATOM 32 N PRO A2565 5.356 -2.900 3.206 1.00 0.00 N ATOM 33 CA PRO A2565 3.968 -3.386 3.350 1.00 0.00 C ATOM 34 C PRO A2565 3.291 -2.642 4.514 1.00 0.00 C ATOM 35 O PRO A2565 2.066 -2.497 4.573 1.00 0.00 O ATOM 36 CB PRO A2565 4.151 -4.871 3.718 1.00 0.00 C ATOM 37 CG PRO A2565 5.526 -5.215 3.258 1.00 0.00 C ATOM 38 CD PRO A2565 6.340 -3.975 3.452 1.00 0.00 C ATOM 0 HA PRO A2565 3.356 -3.236 2.461 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.043 -5.028 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A2565 3.403 -5.494 3.228 1.00 0.00 H new ATOM 0 HG2 PRO A2565 5.935 -6.046 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A2565 5.524 -5.522 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A2565 6.759 -3.919 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.176 -3.926 2.755 1.00 0.00 H new ATOM 46 N ASP A2566 4.151 -2.151 5.392 1.00 0.00 N ATOM 47 CA ASP A2566 3.830 -1.409 6.610 1.00 0.00 C ATOM 48 C ASP A2566 3.402 0.039 6.304 1.00 0.00 C ATOM 49 O ASP A2566 2.716 0.689 7.113 1.00 0.00 O ATOM 50 CB ASP A2566 5.088 -1.420 7.490 1.00 0.00 C ATOM 51 CG ASP A2566 5.005 -0.570 8.729 1.00 0.00 C ATOM 52 OD1 ASP A2566 4.399 -1.007 9.730 1.00 0.00 O ATOM 53 OD2 ASP A2566 5.613 0.516 8.756 1.00 0.00 O ATOM 0 H ASP A2566 5.157 -2.265 5.269 1.00 0.00 H new ATOM 0 HA ASP A2566 2.988 -1.879 7.117 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.297 -2.448 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.934 -1.082 6.892 1.00 0.00 H new ATOM 58 N THR A2567 3.797 0.532 5.139 1.00 0.00 N ATOM 59 CA THR A2567 3.471 1.875 4.717 1.00 0.00 C ATOM 60 C THR A2567 1.952 2.024 4.544 1.00 0.00 C ATOM 61 O THR A2567 1.296 1.146 3.979 1.00 0.00 O ATOM 62 CB THR A2567 4.190 2.200 3.387 1.00 0.00 C ATOM 63 OG1 THR A2567 5.594 1.931 3.537 1.00 0.00 O ATOM 64 CG2 THR A2567 4.013 3.664 3.001 1.00 0.00 C ATOM 0 H THR A2567 4.353 0.007 4.464 1.00 0.00 H new ATOM 0 HA THR A2567 3.807 2.575 5.482 1.00 0.00 H new ATOM 0 HB THR A2567 3.754 1.580 2.604 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.095 2.414 2.847 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.531 3.858 2.062 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.952 3.883 2.882 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.429 4.299 3.783 1.00 0.00 H new ATOM 72 N ARG A2568 1.415 3.099 5.069 1.00 0.00 N ATOM 73 CA ARG A2568 0.002 3.377 4.988 1.00 0.00 C ATOM 74 C ARG A2568 -0.268 4.286 3.816 1.00 0.00 C ATOM 75 O ARG A2568 0.458 5.264 3.608 1.00 0.00 O ATOM 76 CB ARG A2568 -0.474 4.041 6.273 1.00 0.00 C ATOM 77 CG ARG A2568 -0.315 3.189 7.514 1.00 0.00 C ATOM 78 CD ARG A2568 -1.115 1.911 7.404 1.00 0.00 C ATOM 79 NE ARG A2568 -0.974 1.078 8.592 1.00 0.00 N ATOM 80 CZ ARG A2568 -1.935 0.316 9.115 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.159 0.303 8.578 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.673 -0.410 10.191 1.00 0.00 N ATOM 0 H ARG A2568 1.950 3.810 5.568 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.538 2.440 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A2568 0.077 4.971 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.525 4.307 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.738 2.951 7.662 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.641 3.751 8.389 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.167 2.153 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.788 1.352 6.527 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.068 1.078 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.364 0.879 7.762 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -3.888 -0.283 8.985 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -0.744 -0.382 10.611 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.400 -0.997 10.600 1.00 0.00 H new ATOM 96 N ILE A2569 -1.282 3.968 3.054 1.00 0.00 N ATOM 97 CA ILE A2569 -1.630 4.746 1.888 1.00 0.00 C ATOM 98 C ILE A2569 -2.971 5.461 2.127 1.00 0.00 C ATOM 99 O ILE A2569 -4.025 4.831 2.141 1.00 0.00 O ATOM 100 CB ILE A2569 -1.727 3.854 0.619 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.454 2.984 0.454 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.949 4.720 -0.628 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.838 3.767 0.256 1.00 0.00 C ATOM 0 H ILE A2569 -1.889 3.166 3.221 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.843 5.482 1.722 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.581 3.187 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.347 2.352 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.594 2.320 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.015 4.080 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.875 5.284 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.115 5.412 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.672 3.073 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.759 4.378 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.009 4.411 1.119 1.00 0.00 H new ATOM 115 N PRO A2570 -2.932 6.776 2.372 1.00 0.00 N ATOM 116 CA PRO A2570 -4.136 7.576 2.640 1.00 0.00 C ATOM 117 C PRO A2570 -5.044 7.733 1.407 1.00 0.00 C ATOM 118 O PRO A2570 -4.702 8.435 0.438 1.00 0.00 O ATOM 119 CB PRO A2570 -3.574 8.929 3.077 1.00 0.00 C ATOM 120 CG PRO A2570 -2.206 8.993 2.486 1.00 0.00 C ATOM 121 CD PRO A2570 -1.704 7.586 2.417 1.00 0.00 C ATOM 0 HA PRO A2570 -4.774 7.102 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.197 9.749 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.538 9.008 4.164 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.233 9.444 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.548 9.610 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.086 7.425 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.092 7.337 3.284 1.00 0.00 H new ATOM 129 N VAL A2571 -6.197 7.098 1.448 1.00 0.00 N ATOM 130 CA VAL A2571 -7.121 7.092 0.325 1.00 0.00 C ATOM 131 C VAL A2571 -8.555 7.394 0.772 1.00 0.00 C ATOM 132 O VAL A2571 -8.871 7.338 1.959 1.00 0.00 O ATOM 133 CB VAL A2571 -7.101 5.732 -0.431 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.741 5.470 -1.066 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.470 4.589 0.500 1.00 0.00 C ATOM 0 H VAL A2571 -6.523 6.571 2.258 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.785 7.878 -0.351 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.844 5.790 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.761 4.512 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.512 6.264 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.976 5.446 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.449 3.649 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.755 4.544 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.471 4.753 0.899 1.00 0.00 H new ATOM 145 N ILE A2572 -9.395 7.720 -0.182 1.00 0.00 N ATOM 146 CA ILE A2572 -10.802 8.004 0.045 1.00 0.00 C ATOM 147 C ILE A2572 -11.630 7.409 -1.106 1.00 0.00 C ATOM 148 O ILE A2572 -11.167 7.372 -2.244 1.00 0.00 O ATOM 149 CB ILE A2572 -11.063 9.561 0.160 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.570 9.867 0.321 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.472 10.323 -1.032 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.906 11.332 0.472 1.00 0.00 C ATOM 0 H ILE A2572 -9.118 7.798 -1.161 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.102 7.549 0.989 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.552 9.909 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.101 9.474 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.944 9.331 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.671 11.389 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.395 10.157 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.929 9.966 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.984 11.449 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.409 11.730 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.568 11.876 -0.410 1.00 0.00 H new ATOM 164 N ASN A2573 -12.809 6.904 -0.807 1.00 0.00 N ATOM 165 CA ASN A2573 -13.699 6.404 -1.849 1.00 0.00 C ATOM 166 C ASN A2573 -14.703 7.480 -2.145 1.00 0.00 C ATOM 167 O ASN A2573 -15.478 7.841 -1.256 1.00 0.00 O ATOM 168 CB ASN A2573 -14.480 5.158 -1.419 1.00 0.00 C ATOM 169 CG ASN A2573 -15.242 4.563 -2.603 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.829 4.692 -3.739 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.344 3.914 -2.356 1.00 0.00 N ATOM 0 H ASN A2573 -13.177 6.827 0.141 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.086 6.138 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.794 4.415 -1.011 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.179 5.417 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.877 3.503 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.674 3.817 -1.396 1.00 0.00 H new ATOM 178 N LEU A2574 -14.735 7.964 -3.369 1.00 0.00 N ATOM 179 CA LEU A2574 -15.623 9.067 -3.734 1.00 0.00 C ATOM 180 C LEU A2574 -17.101 8.697 -3.603 1.00 0.00 C ATOM 181 O LEU A2574 -17.925 9.524 -3.201 1.00 0.00 O ATOM 182 CB LEU A2574 -15.329 9.578 -5.147 1.00 0.00 C ATOM 183 CG LEU A2574 -13.975 10.270 -5.378 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.852 10.682 -6.828 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.847 11.492 -4.481 1.00 0.00 C ATOM 0 H LEU A2574 -14.158 7.616 -4.135 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.421 9.868 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.398 8.733 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -16.117 10.278 -5.424 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.176 9.570 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.891 11.172 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.919 9.799 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.657 11.372 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.884 11.972 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.649 12.195 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.916 11.186 -3.437 1.00 0.00 H new ATOM 197 N GLU A2575 -17.428 7.450 -3.899 1.00 0.00 N ATOM 198 CA GLU A2575 -18.813 7.005 -3.852 1.00 0.00 C ATOM 199 C GLU A2575 -19.332 6.833 -2.425 1.00 0.00 C ATOM 200 O GLU A2575 -20.511 7.057 -2.157 1.00 0.00 O ATOM 201 CB GLU A2575 -19.013 5.720 -4.649 1.00 0.00 C ATOM 202 CG GLU A2575 -18.707 5.864 -6.125 1.00 0.00 C ATOM 203 CD GLU A2575 -19.139 4.665 -6.921 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.295 4.646 -7.399 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.343 3.725 -7.098 1.00 0.00 O ATOM 0 H GLU A2575 -16.759 6.731 -4.173 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.400 7.798 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.377 4.940 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -20.044 5.387 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -19.207 6.752 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -17.636 6.018 -6.258 1.00 0.00 H new ATOM 212 N ASP A2576 -18.470 6.442 -1.519 1.00 0.00 N ATOM 213 CA ASP A2576 -18.894 6.227 -0.128 1.00 0.00 C ATOM 214 C ASP A2576 -18.675 7.421 0.728 1.00 0.00 C ATOM 215 O ASP A2576 -19.477 7.723 1.594 1.00 0.00 O ATOM 216 CB ASP A2576 -18.193 5.039 0.533 1.00 0.00 C ATOM 217 CG ASP A2576 -18.795 3.718 0.190 1.00 0.00 C ATOM 218 OD1 ASP A2576 -19.841 3.371 0.770 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.223 2.998 -0.641 1.00 0.00 O ATOM 0 H ASP A2576 -17.482 6.264 -1.700 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.962 6.020 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.144 5.038 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.219 5.170 1.615 1.00 0.00 H new ATOM 224 N GLY A2577 -17.587 8.103 0.493 1.00 0.00 N ATOM 225 CA GLY A2577 -17.207 9.170 1.370 1.00 0.00 C ATOM 226 C GLY A2577 -16.404 8.607 2.519 1.00 0.00 C ATOM 227 O GLY A2577 -16.206 9.261 3.544 1.00 0.00 O ATOM 0 H GLY A2577 -16.955 7.939 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.619 9.910 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.093 9.681 1.746 1.00 0.00 H new ATOM 231 N THR A2578 -15.969 7.365 2.352 1.00 0.00 N ATOM 232 CA THR A2578 -15.159 6.710 3.329 1.00 0.00 C ATOM 233 C THR A2578 -13.730 7.148 3.086 1.00 0.00 C ATOM 234 O THR A2578 -13.295 7.260 1.926 1.00 0.00 O ATOM 235 CB THR A2578 -15.291 5.131 3.255 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.758 4.507 4.428 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.573 4.531 2.048 1.00 0.00 C ATOM 0 H THR A2578 -16.176 6.797 1.530 1.00 0.00 H new ATOM 0 HA THR A2578 -15.488 6.988 4.330 1.00 0.00 H new ATOM 0 HB THR A2578 -16.360 4.938 3.168 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.855 3.535 4.354 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.699 3.448 2.051 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.996 4.943 1.132 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.511 4.773 2.099 1.00 0.00 H new ATOM 245 N ARG A2579 -13.027 7.440 4.117 1.00 0.00 N ATOM 246 CA ARG A2579 -11.676 7.873 3.966 1.00 0.00 C ATOM 247 C ARG A2579 -10.831 7.235 4.990 1.00 0.00 C ATOM 248 O ARG A2579 -11.197 7.158 6.160 1.00 0.00 O ATOM 249 CB ARG A2579 -11.548 9.384 4.026 1.00 0.00 C ATOM 250 CG ARG A2579 -10.135 9.871 3.761 1.00 0.00 C ATOM 251 CD ARG A2579 -10.045 11.371 3.607 1.00 0.00 C ATOM 252 NE ARG A2579 -10.434 12.092 4.812 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.957 13.289 5.167 1.00 0.00 C ATOM 254 NH1 ARG A2579 -8.924 13.837 4.508 1.00 0.00 N ATOM 255 NH2 ARG A2579 -10.474 13.905 6.219 1.00 0.00 N ATOM 0 H ARG A2579 -13.360 7.389 5.080 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.336 7.568 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.223 9.829 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.868 9.731 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.489 9.556 4.580 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.757 9.395 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -9.023 11.643 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.683 11.685 2.781 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.118 11.652 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.495 13.339 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -8.568 14.751 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.227 13.466 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -10.119 14.819 6.500 1.00 0.00 H new ATOM 269 N LEU A2580 -9.713 6.786 4.555 1.00 0.00 N ATOM 270 CA LEU A2580 -8.811 6.074 5.360 1.00 0.00 C ATOM 271 C LEU A2580 -7.466 6.756 5.286 1.00 0.00 C ATOM 272 O LEU A2580 -6.751 6.640 4.286 1.00 0.00 O ATOM 273 CB LEU A2580 -8.735 4.655 4.829 1.00 0.00 C ATOM 274 CG LEU A2580 -10.088 3.952 4.689 1.00 0.00 C ATOM 275 CD1 LEU A2580 -9.938 2.638 3.980 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.763 3.778 6.045 1.00 0.00 C ATOM 0 H LEU A2580 -9.395 6.912 3.594 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.130 6.049 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.247 4.672 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.102 4.066 5.493 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.734 4.586 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -10.913 2.158 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.526 2.806 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.266 1.994 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.721 3.276 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.126 3.178 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.925 4.756 6.499 1.00 0.00 H new ATOM 288 N VAL A2581 -7.162 7.525 6.295 1.00 0.00 N ATOM 289 CA VAL A2581 -5.901 8.238 6.372 1.00 0.00 C ATOM 290 C VAL A2581 -5.243 7.939 7.698 1.00 0.00 C ATOM 291 O VAL A2581 -5.917 7.494 8.631 1.00 0.00 O ATOM 292 CB VAL A2581 -6.062 9.784 6.190 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.563 10.116 4.797 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.995 10.376 7.235 1.00 0.00 C ATOM 0 H VAL A2581 -7.778 7.680 7.093 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.277 7.891 5.548 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.076 10.229 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.667 11.196 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.852 9.749 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.531 9.642 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.083 11.451 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.979 9.915 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.593 10.187 8.230 1.00 0.00 H new ATOM 304 N GLY A2582 -3.949 8.140 7.774 1.00 0.00 N ATOM 305 CA GLY A2582 -3.228 7.899 9.001 1.00 0.00 C ATOM 306 C GLY A2582 -3.109 6.429 9.313 1.00 0.00 C ATOM 307 O GLY A2582 -2.623 5.652 8.498 1.00 0.00 O ATOM 0 H GLY A2582 -3.373 8.470 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.232 8.334 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.735 8.403 9.823 1.00 0.00 H new ATOM 311 N GLU A2583 -3.618 6.049 10.454 1.00 0.00 N ATOM 312 CA GLU A2583 -3.544 4.678 10.942 1.00 0.00 C ATOM 313 C GLU A2583 -4.659 3.829 10.338 1.00 0.00 C ATOM 314 O GLU A2583 -4.564 2.604 10.262 1.00 0.00 O ATOM 315 CB GLU A2583 -3.653 4.683 12.458 1.00 0.00 C ATOM 316 CG GLU A2583 -2.531 5.437 13.153 1.00 0.00 C ATOM 317 CD GLU A2583 -1.193 4.765 12.981 1.00 0.00 C ATOM 318 OE1 GLU A2583 -0.910 3.792 13.714 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.395 5.188 12.114 1.00 0.00 O ATOM 0 H GLU A2583 -4.105 6.684 11.087 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.590 4.244 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.607 5.127 12.743 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.662 3.653 12.815 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.479 6.451 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.758 5.522 14.216 1.00 0.00 H new ATOM 326 N ASP A2584 -5.710 4.496 9.904 1.00 0.00 N ATOM 327 CA ASP A2584 -6.865 3.828 9.286 1.00 0.00 C ATOM 328 C ASP A2584 -6.604 3.519 7.846 1.00 0.00 C ATOM 329 O ASP A2584 -7.307 2.707 7.236 1.00 0.00 O ATOM 330 CB ASP A2584 -8.129 4.679 9.370 1.00 0.00 C ATOM 331 CG ASP A2584 -8.717 4.760 10.743 1.00 0.00 C ATOM 332 OD1 ASP A2584 -9.573 3.913 11.087 1.00 0.00 O ATOM 333 OD2 ASP A2584 -8.383 5.686 11.486 1.00 0.00 O ATOM 0 H ASP A2584 -5.799 5.510 9.964 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.016 2.904 9.845 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.900 5.687 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.876 4.270 8.689 1.00 0.00 H new ATOM 338 N ALA A2585 -5.597 4.163 7.299 1.00 0.00 N ATOM 339 CA ALA A2585 -5.244 4.005 5.913 1.00 0.00 C ATOM 340 C ALA A2585 -4.802 2.582 5.640 1.00 0.00 C ATOM 341 O ALA A2585 -4.140 1.955 6.491 1.00 0.00 O ATOM 342 CB ALA A2585 -4.156 4.982 5.545 1.00 0.00 C ATOM 0 H ALA A2585 -4.999 4.813 7.809 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.120 4.212 5.298 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -3.894 4.856 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.509 6.000 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.277 4.797 6.163 1.00 0.00 H new ATOM 348 N PRO A2586 -5.189 2.028 4.485 1.00 0.00 N ATOM 349 CA PRO A2586 -4.826 0.685 4.117 1.00 0.00 C ATOM 350 C PRO A2586 -3.324 0.519 3.992 1.00 0.00 C ATOM 351 O PRO A2586 -2.601 1.452 3.575 1.00 0.00 O ATOM 352 CB PRO A2586 -5.505 0.460 2.756 1.00 0.00 C ATOM 353 CG PRO A2586 -5.760 1.824 2.236 1.00 0.00 C ATOM 354 CD PRO A2586 -6.013 2.672 3.442 1.00 0.00 C ATOM 0 HA PRO A2586 -5.141 -0.034 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.864 -0.108 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.432 -0.103 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.906 2.194 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.617 1.833 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.716 3.707 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.069 2.683 3.712 1.00 0.00 H new ATOM 362 N LYS A2587 -2.853 -0.626 4.410 1.00 0.00 N ATOM 363 CA LYS A2587 -1.472 -0.975 4.260 1.00 0.00 C ATOM 364 C LYS A2587 -1.152 -1.137 2.792 1.00 0.00 C ATOM 365 O LYS A2587 -1.993 -1.591 2.019 1.00 0.00 O ATOM 366 CB LYS A2587 -1.169 -2.259 5.023 1.00 0.00 C ATOM 367 CG LYS A2587 -1.110 -2.077 6.527 1.00 0.00 C ATOM 368 CD LYS A2587 -1.099 -3.406 7.270 1.00 0.00 C ATOM 369 CE LYS A2587 -2.468 -4.073 7.218 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.551 -5.252 8.100 1.00 0.00 N ATOM 0 H LYS A2587 -3.420 -1.342 4.864 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.849 -0.181 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.932 -3.000 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A2587 -0.216 -2.660 4.677 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.216 -1.510 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.967 -1.488 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.352 -4.066 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.809 -3.244 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -3.232 -3.352 7.507 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -2.685 -4.373 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.500 -5.671 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -1.840 -5.954 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.371 -4.964 9.083 1.00 0.00 H new ATOM 384 N ASN A2588 0.058 -0.784 2.428 1.00 0.00 N ATOM 385 CA ASN A2588 0.555 -0.831 1.040 1.00 0.00 C ATOM 386 C ASN A2588 0.366 -2.220 0.430 1.00 0.00 C ATOM 387 O ASN A2588 0.105 -2.370 -0.761 1.00 0.00 O ATOM 388 CB ASN A2588 2.039 -0.445 1.029 1.00 0.00 C ATOM 389 CG ASN A2588 2.707 -0.509 -0.340 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.102 -0.250 -1.374 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.963 -0.869 -0.346 1.00 0.00 N ATOM 0 H ASN A2588 0.754 -0.445 3.092 1.00 0.00 H new ATOM 0 HA ASN A2588 -0.017 -0.126 0.437 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.139 0.568 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.576 -1.104 1.711 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.469 -0.941 -1.229 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.438 -1.078 0.532 1.00 0.00 H new ATOM 398 N LYS A2589 0.442 -3.221 1.268 1.00 0.00 N ATOM 399 CA LYS A2589 0.288 -4.588 0.833 1.00 0.00 C ATOM 400 C LYS A2589 -1.172 -4.879 0.399 1.00 0.00 C ATOM 401 O LYS A2589 -1.407 -5.634 -0.536 1.00 0.00 O ATOM 402 CB LYS A2589 0.735 -5.541 1.945 1.00 0.00 C ATOM 403 CG LYS A2589 -0.129 -5.496 3.196 1.00 0.00 C ATOM 404 CD LYS A2589 0.390 -6.428 4.270 1.00 0.00 C ATOM 405 CE LYS A2589 -0.696 -6.798 5.275 1.00 0.00 C ATOM 406 NZ LYS A2589 -1.855 -7.488 4.642 1.00 0.00 N ATOM 0 H LYS A2589 0.612 -3.114 2.268 1.00 0.00 H new ATOM 0 HA LYS A2589 0.921 -4.748 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.736 -6.559 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A2589 1.763 -5.303 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A2589 -0.158 -4.477 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -1.153 -5.769 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A2589 0.780 -7.334 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.221 -5.954 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.270 -7.443 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -1.045 -5.895 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -2.138 -8.299 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -2.652 -6.825 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.585 -7.822 3.695 1.00 0.00 H new ATOM 420 N ASP A2590 -2.131 -4.239 1.058 1.00 0.00 N ATOM 421 CA ASP A2590 -3.562 -4.451 0.781 1.00 0.00 C ATOM 422 C ASP A2590 -4.062 -3.438 -0.229 1.00 0.00 C ATOM 423 O ASP A2590 -5.135 -3.610 -0.821 1.00 0.00 O ATOM 424 CB ASP A2590 -4.406 -4.318 2.058 1.00 0.00 C ATOM 425 CG ASP A2590 -4.125 -5.368 3.120 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.137 -5.252 3.858 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.918 -6.320 3.261 1.00 0.00 O ATOM 0 H ASP A2590 -1.949 -3.560 1.797 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.666 -5.461 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.235 -3.331 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.460 -4.369 1.787 1.00 0.00 H new ATOM 432 N LEU A2591 -3.264 -2.398 -0.418 1.00 0.00 N ATOM 433 CA LEU A2591 -3.534 -1.271 -1.313 1.00 0.00 C ATOM 434 C LEU A2591 -3.994 -1.742 -2.695 1.00 0.00 C ATOM 435 O LEU A2591 -5.037 -1.321 -3.184 1.00 0.00 O ATOM 436 CB LEU A2591 -2.238 -0.378 -1.361 1.00 0.00 C ATOM 437 CG LEU A2591 -2.131 0.813 -2.348 1.00 0.00 C ATOM 438 CD1 LEU A2591 -1.857 0.376 -3.770 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.338 1.726 -2.248 1.00 0.00 C ATOM 0 H LEU A2591 -2.371 -2.308 0.067 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.363 -0.673 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.088 0.022 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.399 -1.042 -1.568 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.259 1.393 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -1.793 1.253 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -0.915 -0.171 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.665 -0.269 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.230 2.550 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.241 1.163 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.411 2.122 -1.235 1.00 0.00 H new ATOM 451 N VAL A2592 -3.243 -2.641 -3.278 1.00 0.00 N ATOM 452 CA VAL A2592 -3.531 -3.162 -4.608 1.00 0.00 C ATOM 453 C VAL A2592 -4.922 -3.834 -4.702 1.00 0.00 C ATOM 454 O VAL A2592 -5.626 -3.697 -5.705 1.00 0.00 O ATOM 455 CB VAL A2592 -2.435 -4.145 -5.080 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.117 -3.414 -5.293 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.249 -5.271 -4.072 1.00 0.00 C ATOM 0 H VAL A2592 -2.408 -3.040 -2.849 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.540 -2.297 -5.272 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.755 -4.577 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.358 -4.122 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.248 -2.641 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.800 -2.955 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.473 -5.951 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.955 -4.853 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.186 -5.817 -3.959 1.00 0.00 H new ATOM 467 N GLU A2593 -5.319 -4.519 -3.643 1.00 0.00 N ATOM 468 CA GLU A2593 -6.584 -5.208 -3.602 1.00 0.00 C ATOM 469 C GLU A2593 -7.701 -4.206 -3.469 1.00 0.00 C ATOM 470 O GLU A2593 -8.709 -4.279 -4.161 1.00 0.00 O ATOM 471 CB GLU A2593 -6.621 -6.149 -2.413 1.00 0.00 C ATOM 472 CG GLU A2593 -5.578 -7.241 -2.441 1.00 0.00 C ATOM 473 CD GLU A2593 -5.689 -8.130 -3.650 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.613 -8.961 -3.707 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.837 -8.027 -4.557 1.00 0.00 O ATOM 0 H GLU A2593 -4.768 -4.609 -2.790 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.706 -5.779 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.493 -5.566 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.608 -6.609 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.586 -6.789 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.672 -7.848 -1.541 1.00 0.00 H new ATOM 482 N TRP A2594 -7.477 -3.247 -2.597 1.00 0.00 N ATOM 483 CA TRP A2594 -8.444 -2.207 -2.283 1.00 0.00 C ATOM 484 C TRP A2594 -8.752 -1.389 -3.543 1.00 0.00 C ATOM 485 O TRP A2594 -9.888 -1.000 -3.791 1.00 0.00 O ATOM 486 CB TRP A2594 -7.865 -1.306 -1.182 1.00 0.00 C ATOM 487 CG TRP A2594 -8.897 -0.577 -0.384 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.533 -1.055 0.720 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.411 0.747 -0.600 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.410 -0.129 1.198 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.362 0.985 0.412 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.170 1.749 -1.545 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.069 2.179 0.508 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.875 2.930 -1.441 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.813 3.137 -0.425 1.00 0.00 C ATOM 0 H TRP A2594 -6.605 -3.163 -2.075 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.373 -2.654 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.264 -1.916 -0.508 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.194 -0.579 -1.638 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.366 -2.029 1.155 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.009 -0.249 2.015 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.450 1.602 -2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.793 2.340 1.293 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.698 3.714 -2.162 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.345 4.076 -0.379 1.00 0.00 H new ATOM 506 N LEU A2595 -7.731 -1.190 -4.353 1.00 0.00 N ATOM 507 CA LEU A2595 -7.850 -0.441 -5.606 1.00 0.00 C ATOM 508 C LEU A2595 -8.685 -1.164 -6.617 1.00 0.00 C ATOM 509 O LEU A2595 -9.419 -0.540 -7.379 1.00 0.00 O ATOM 510 CB LEU A2595 -6.474 -0.124 -6.169 1.00 0.00 C ATOM 511 CG LEU A2595 -5.826 1.179 -5.695 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.123 1.460 -4.229 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.334 1.108 -5.917 1.00 0.00 C ATOM 0 H LEU A2595 -6.791 -1.540 -4.168 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.361 0.495 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.805 -0.948 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.549 -0.092 -7.256 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.250 1.998 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.645 2.394 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.200 1.543 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.737 0.645 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.871 2.036 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -3.922 0.271 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.130 0.966 -6.978 1.00 0.00 H new ATOM 525 N LYS A2596 -8.589 -2.473 -6.622 1.00 0.00 N ATOM 526 CA LYS A2596 -9.388 -3.285 -7.526 1.00 0.00 C ATOM 527 C LYS A2596 -10.870 -3.176 -7.199 1.00 0.00 C ATOM 528 O LYS A2596 -11.707 -3.100 -8.099 1.00 0.00 O ATOM 529 CB LYS A2596 -8.961 -4.748 -7.495 1.00 0.00 C ATOM 530 CG LYS A2596 -7.566 -5.004 -8.031 1.00 0.00 C ATOM 531 CD LYS A2596 -7.216 -6.499 -8.080 1.00 0.00 C ATOM 532 CE LYS A2596 -7.917 -7.282 -9.214 1.00 0.00 C ATOM 533 NZ LYS A2596 -9.401 -7.347 -9.106 1.00 0.00 N ATOM 0 H LYS A2596 -7.967 -3.004 -6.012 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.219 -2.898 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.014 -5.108 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.673 -5.334 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.483 -4.582 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.840 -4.485 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.137 -6.604 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.480 -6.953 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -7.656 -6.823 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -7.524 -8.298 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -9.739 -8.247 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -9.679 -7.284 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -9.822 -6.556 -9.633 1.00 0.00 H new ATOM 547 N LEU A2597 -11.188 -3.155 -5.919 1.00 0.00 N ATOM 548 CA LEU A2597 -12.570 -3.057 -5.480 1.00 0.00 C ATOM 549 C LEU A2597 -13.098 -1.631 -5.560 1.00 0.00 C ATOM 550 O LEU A2597 -14.311 -1.418 -5.603 1.00 0.00 O ATOM 551 CB LEU A2597 -12.765 -3.624 -4.058 1.00 0.00 C ATOM 552 CG LEU A2597 -12.792 -5.165 -3.887 1.00 0.00 C ATOM 553 CD1 LEU A2597 -13.935 -5.790 -4.674 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.473 -5.819 -4.262 1.00 0.00 C ATOM 0 H LEU A2597 -10.507 -3.205 -5.161 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.152 -3.668 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.965 -3.232 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.702 -3.228 -3.666 1.00 0.00 H new ATOM 0 HG LEU A2597 -12.955 -5.350 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -13.926 -6.871 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -14.884 -5.386 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.815 -5.561 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.549 -6.897 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.243 -5.603 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.679 -5.427 -3.627 1.00 0.00 H new ATOM 566 N HIS A2598 -12.215 -0.661 -5.587 1.00 0.00 N ATOM 567 CA HIS A2598 -12.640 0.722 -5.656 1.00 0.00 C ATOM 568 C HIS A2598 -12.054 1.448 -6.855 1.00 0.00 C ATOM 569 O HIS A2598 -11.027 2.114 -6.752 1.00 0.00 O ATOM 570 CB HIS A2598 -12.356 1.500 -4.360 1.00 0.00 C ATOM 571 CG HIS A2598 -13.130 1.018 -3.177 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.416 1.410 -2.902 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.782 0.160 -2.189 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.807 0.796 -1.788 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.851 0.022 -1.311 1.00 0.00 N ATOM 0 H HIS A2598 -11.205 -0.799 -5.563 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.722 0.686 -5.783 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.291 1.434 -4.135 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.583 2.553 -4.524 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.828 -0.337 -2.098 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.780 0.916 -1.334 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.888 -0.557 -0.472 1.00 0.00 H new ATOM 583 N PRO A2599 -12.681 1.309 -8.032 1.00 0.00 N ATOM 584 CA PRO A2599 -12.246 2.019 -9.247 1.00 0.00 C ATOM 585 C PRO A2599 -12.599 3.510 -9.174 1.00 0.00 C ATOM 586 O PRO A2599 -12.159 4.326 -9.989 1.00 0.00 O ATOM 587 CB PRO A2599 -13.051 1.340 -10.362 1.00 0.00 C ATOM 588 CG PRO A2599 -14.256 0.781 -9.682 1.00 0.00 C ATOM 589 CD PRO A2599 -13.829 0.416 -8.293 1.00 0.00 C ATOM 0 HA PRO A2599 -11.167 1.970 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.331 2.053 -11.137 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.471 0.554 -10.846 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -15.064 1.513 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.632 -0.093 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.632 0.575 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.543 -0.634 -8.225 1.00 0.00 H new ATOM 597 N THR A2600 -13.400 3.841 -8.203 1.00 0.00 N ATOM 598 CA THR A2600 -13.859 5.173 -7.961 1.00 0.00 C ATOM 599 C THR A2600 -13.201 5.775 -6.727 1.00 0.00 C ATOM 600 O THR A2600 -13.726 6.725 -6.116 1.00 0.00 O ATOM 601 CB THR A2600 -15.368 5.122 -7.773 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.711 3.873 -7.124 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.083 5.224 -9.104 1.00 0.00 C ATOM 0 H THR A2600 -13.764 3.162 -7.534 1.00 0.00 H new ATOM 0 HA THR A2600 -13.595 5.805 -8.809 1.00 0.00 H new ATOM 0 HB THR A2600 -15.682 5.966 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.670 3.701 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.160 5.185 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.822 6.166 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.782 4.394 -9.743 1.00 0.00 H new ATOM 611 N TYR A2601 -12.044 5.261 -6.361 1.00 0.00 N ATOM 612 CA TYR A2601 -11.379 5.796 -5.218 1.00 0.00 C ATOM 613 C TYR A2601 -10.503 6.969 -5.659 1.00 0.00 C ATOM 614 O TYR A2601 -10.363 7.251 -6.857 1.00 0.00 O ATOM 615 CB TYR A2601 -10.526 4.721 -4.498 1.00 0.00 C ATOM 616 CG TYR A2601 -9.080 4.627 -4.950 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.730 4.234 -6.234 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.069 4.971 -4.079 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.408 4.188 -6.621 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.757 4.933 -4.454 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.426 4.543 -5.724 1.00 0.00 C ATOM 622 OH TYR A2601 -5.100 4.501 -6.099 1.00 0.00 O ATOM 0 H TYR A2601 -11.565 4.494 -6.832 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.128 6.140 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.542 4.926 -3.428 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.998 3.749 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.502 3.961 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.321 5.278 -3.075 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.144 3.876 -7.621 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.984 5.209 -3.752 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.538 4.784 -5.347 1.00 0.00 H new ATOM 632 N THR A2602 -9.961 7.648 -4.722 1.00 0.00 N ATOM 633 CA THR A2602 -9.051 8.706 -4.954 1.00 0.00 C ATOM 634 C THR A2602 -8.027 8.703 -3.824 1.00 0.00 C ATOM 635 O THR A2602 -8.376 8.438 -2.674 1.00 0.00 O ATOM 636 CB THR A2602 -9.808 10.054 -5.011 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.707 10.052 -6.129 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.875 11.235 -5.136 1.00 0.00 C ATOM 0 H THR A2602 -10.145 7.477 -3.733 1.00 0.00 H new ATOM 0 HA THR A2602 -8.544 8.572 -5.909 1.00 0.00 H new ATOM 0 HB THR A2602 -10.354 10.157 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.696 10.932 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.457 12.156 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.205 11.262 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.289 11.140 -6.050 1.00 0.00 H new ATOM 646 N VAL A2603 -6.778 8.895 -4.154 1.00 0.00 N ATOM 647 CA VAL A2603 -5.750 9.007 -3.148 1.00 0.00 C ATOM 648 C VAL A2603 -5.917 10.364 -2.481 1.00 0.00 C ATOM 649 O VAL A2603 -5.952 11.396 -3.164 1.00 0.00 O ATOM 650 CB VAL A2603 -4.324 8.872 -3.753 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.269 8.956 -2.670 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.178 7.563 -4.508 1.00 0.00 C ATOM 0 H VAL A2603 -6.445 8.978 -5.114 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.856 8.197 -2.426 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.181 9.698 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.280 8.859 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.345 9.917 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.422 8.152 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.172 7.492 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.350 6.729 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.907 7.527 -5.318 1.00 0.00 H new ATOM 662 N ASP A2604 -6.054 10.365 -1.173 1.00 0.00 N ATOM 663 CA ASP A2604 -6.342 11.594 -0.442 1.00 0.00 C ATOM 664 C ASP A2604 -5.108 12.460 -0.354 1.00 0.00 C ATOM 665 O ASP A2604 -5.174 13.677 -0.493 1.00 0.00 O ATOM 666 CB ASP A2604 -6.919 11.296 0.951 1.00 0.00 C ATOM 667 CG ASP A2604 -7.340 12.550 1.704 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.128 13.346 1.166 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.916 12.746 2.853 1.00 0.00 O ATOM 0 H ASP A2604 -5.972 9.533 -0.588 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.103 12.145 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.780 10.636 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.174 10.759 1.539 1.00 0.00 H new ATOM 674 N MET A2605 -3.979 11.830 -0.171 1.00 0.00 N ATOM 675 CA MET A2605 -2.732 12.547 -0.121 1.00 0.00 C ATOM 676 C MET A2605 -1.801 11.998 -1.205 1.00 0.00 C ATOM 677 O MET A2605 -1.238 10.909 -1.050 1.00 0.00 O ATOM 678 CB MET A2605 -2.105 12.443 1.276 1.00 0.00 C ATOM 679 CG MET A2605 -0.867 13.298 1.473 1.00 0.00 C ATOM 680 SD MET A2605 -1.168 15.062 1.217 1.00 0.00 S ATOM 681 CE MET A2605 -2.378 15.398 2.505 1.00 0.00 C ATOM 0 H MET A2605 -3.896 10.820 -0.054 1.00 0.00 H new ATOM 0 HA MET A2605 -2.904 13.606 -0.313 1.00 0.00 H new ATOM 0 HB2 MET A2605 -2.851 12.729 2.018 1.00 0.00 H new ATOM 0 HB3 MET A2605 -1.847 11.402 1.468 1.00 0.00 H new ATOM 0 HG2 MET A2605 -0.485 13.144 2.482 1.00 0.00 H new ATOM 0 HG3 MET A2605 -0.091 12.965 0.784 1.00 0.00 H new ATOM 0 HE1 MET A2605 -2.463 16.475 2.652 1.00 0.00 H new ATOM 0 HE2 MET A2605 -3.346 14.994 2.209 1.00 0.00 H new ATOM 0 HE3 MET A2605 -2.059 14.929 3.436 1.00 0.00 H new ATOM 691 N PRO A2606 -1.653 12.734 -2.339 1.00 0.00 N ATOM 692 CA PRO A2606 -0.879 12.272 -3.519 1.00 0.00 C ATOM 693 C PRO A2606 0.619 12.146 -3.248 1.00 0.00 C ATOM 694 O PRO A2606 1.342 11.441 -3.961 1.00 0.00 O ATOM 695 CB PRO A2606 -1.147 13.356 -4.570 1.00 0.00 C ATOM 696 CG PRO A2606 -1.510 14.568 -3.783 1.00 0.00 C ATOM 697 CD PRO A2606 -2.235 14.077 -2.570 1.00 0.00 C ATOM 0 HA PRO A2606 -1.183 11.271 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A2606 -0.267 13.534 -5.188 1.00 0.00 H new ATOM 0 HB3 PRO A2606 -1.954 13.064 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A2606 -0.620 15.131 -3.503 1.00 0.00 H new ATOM 0 HG3 PRO A2606 -2.140 15.238 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A2606 -2.078 14.735 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A2606 -3.311 14.025 -2.739 1.00 0.00 H new ATOM 705 N SER A2607 1.072 12.810 -2.232 1.00 0.00 N ATOM 706 CA SER A2607 2.434 12.747 -1.841 1.00 0.00 C ATOM 707 C SER A2607 2.456 12.111 -0.462 1.00 0.00 C ATOM 708 O SER A2607 1.993 12.722 0.511 1.00 0.00 O ATOM 709 CB SER A2607 3.019 14.159 -1.819 1.00 0.00 C ATOM 710 OG SER A2607 4.422 14.138 -1.680 1.00 0.00 O ATOM 0 H SER A2607 0.496 13.416 -1.648 1.00 0.00 H new ATOM 0 HA SER A2607 3.037 12.159 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A2607 2.752 14.678 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A2607 2.580 14.723 -0.996 1.00 0.00 H new ATOM 0 HG SER A2607 4.764 15.056 -1.671 1.00 0.00 H new ATOM 716 N TYR A2608 2.928 10.867 -0.381 1.00 0.00 N ATOM 717 CA TYR A2608 2.892 10.135 0.873 1.00 0.00 C ATOM 718 C TYR A2608 3.808 10.802 1.884 1.00 0.00 C ATOM 719 O TYR A2608 4.804 11.444 1.505 1.00 0.00 O ATOM 720 CB TYR A2608 3.272 8.632 0.685 1.00 0.00 C ATOM 721 CG TYR A2608 4.769 8.321 0.633 1.00 0.00 C ATOM 722 CD1 TYR A2608 5.523 8.513 -0.515 1.00 0.00 C ATOM 723 CD2 TYR A2608 5.417 7.823 1.758 1.00 0.00 C ATOM 724 CE1 TYR A2608 6.880 8.222 -0.532 1.00 0.00 C ATOM 725 CE2 TYR A2608 6.764 7.532 1.754 1.00 0.00 C ATOM 726 CZ TYR A2608 7.499 7.734 0.610 1.00 0.00 C ATOM 727 OH TYR A2608 8.860 7.439 0.600 1.00 0.00 O ATOM 0 H TYR A2608 3.335 10.354 -1.163 1.00 0.00 H new ATOM 0 HA TYR A2608 1.868 10.158 1.247 1.00 0.00 H new ATOM 0 HB2 TYR A2608 2.831 8.061 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A2608 2.814 8.275 -0.237 1.00 0.00 H new ATOM 0 HD1 TYR A2608 5.048 8.894 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A2608 4.848 7.659 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A2608 7.454 8.375 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A2608 7.239 7.148 2.644 1.00 0.00 H new ATOM 0 HH TYR A2608 9.130 7.109 1.482 1.00 0.00 H new ATOM 737 N VAL A2609 3.460 10.691 3.137 1.00 0.00 N ATOM 738 CA VAL A2609 4.262 11.244 4.192 1.00 0.00 C ATOM 739 C VAL A2609 5.558 10.433 4.325 1.00 0.00 C ATOM 740 O VAL A2609 5.511 9.204 4.469 1.00 0.00 O ATOM 741 CB VAL A2609 3.477 11.299 5.553 1.00 0.00 C ATOM 742 CG1 VAL A2609 2.920 9.930 5.948 1.00 0.00 C ATOM 743 CG2 VAL A2609 4.357 11.855 6.667 1.00 0.00 C ATOM 0 H VAL A2609 2.615 10.216 3.454 1.00 0.00 H new ATOM 0 HA VAL A2609 4.512 12.274 3.937 1.00 0.00 H new ATOM 0 HB VAL A2609 2.631 11.970 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A2609 2.385 10.014 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A2609 2.237 9.578 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A2609 3.741 9.221 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A2609 3.791 11.883 7.598 1.00 0.00 H new ATOM 0 HG22 VAL A2609 5.231 11.217 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A2609 4.679 12.864 6.408 1.00 0.00 H new ATOM 753 N PRO A2610 6.728 11.090 4.198 1.00 0.00 N ATOM 754 CA PRO A2610 8.007 10.413 4.334 1.00 0.00 C ATOM 755 C PRO A2610 8.101 9.726 5.698 1.00 0.00 C ATOM 756 O PRO A2610 7.701 10.299 6.726 1.00 0.00 O ATOM 757 CB PRO A2610 9.045 11.542 4.195 1.00 0.00 C ATOM 758 CG PRO A2610 8.280 12.808 4.393 1.00 0.00 C ATOM 759 CD PRO A2610 6.891 12.529 3.916 1.00 0.00 C ATOM 0 HA PRO A2610 8.158 9.628 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A2610 9.837 11.441 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A2610 9.521 11.520 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A2610 8.280 13.104 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A2610 8.729 13.627 3.831 1.00 0.00 H new ATOM 0 HD2 PRO A2610 6.153 13.131 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A2610 6.777 12.748 2.854 1.00 0.00 H new ATOM 767 N LYS A2611 8.617 8.515 5.703 1.00 0.00 N ATOM 768 CA LYS A2611 8.643 7.687 6.891 1.00 0.00 C ATOM 769 C LYS A2611 9.731 8.118 7.853 1.00 0.00 C ATOM 770 O LYS A2611 10.840 7.586 7.854 1.00 0.00 O ATOM 771 CB LYS A2611 8.741 6.204 6.538 1.00 0.00 C ATOM 772 CG LYS A2611 7.529 5.685 5.761 1.00 0.00 C ATOM 773 CD LYS A2611 7.592 4.181 5.451 1.00 0.00 C ATOM 774 CE LYS A2611 7.325 3.263 6.673 1.00 0.00 C ATOM 775 NZ LYS A2611 8.334 3.371 7.763 1.00 0.00 N ATOM 0 H LYS A2611 9.031 8.076 4.881 1.00 0.00 H new ATOM 0 HA LYS A2611 7.694 7.829 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A2611 9.641 6.037 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A2611 8.850 5.626 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A2611 6.625 5.891 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A2611 7.445 6.237 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A2611 6.863 3.952 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A2611 8.576 3.947 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A2611 6.342 3.500 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A2611 7.287 2.228 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A2611 8.409 2.460 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A2611 9.258 3.622 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A2611 8.040 4.107 8.436 1.00 0.00 H new ATOM 789 N ASN A2612 9.384 9.115 8.617 1.00 0.00 N ATOM 790 CA ASN A2612 10.213 9.786 9.600 1.00 0.00 C ATOM 791 C ASN A2612 9.392 10.938 10.117 1.00 0.00 C ATOM 792 O ASN A2612 9.252 11.156 11.330 1.00 0.00 O ATOM 793 CB ASN A2612 11.515 10.294 8.951 1.00 0.00 C ATOM 794 CG ASN A2612 12.229 11.346 9.757 1.00 0.00 C ATOM 795 OD1 ASN A2612 12.047 12.541 9.538 1.00 0.00 O ATOM 796 ND2 ASN A2612 12.987 10.933 10.688 1.00 0.00 N ATOM 0 H ASN A2612 8.447 9.515 8.572 1.00 0.00 H new ATOM 0 HA ASN A2612 10.503 9.112 10.406 1.00 0.00 H new ATOM 0 HB2 ASN A2612 12.187 9.449 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A2612 11.284 10.700 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A2612 13.471 11.602 11.286 1.00 0.00 H new ATOM 0 HD22 ASN A2612 13.112 9.932 10.838 1.00 0.00 H new ATOM 803 N ALA A2613 8.914 11.694 9.154 1.00 0.00 N ATOM 804 CA ALA A2613 7.909 12.755 9.303 1.00 0.00 C ATOM 805 C ALA A2613 8.396 13.945 10.103 1.00 0.00 C ATOM 806 O ALA A2613 7.609 14.819 10.460 1.00 0.00 O ATOM 807 CB ALA A2613 6.613 12.197 9.888 1.00 0.00 C ATOM 0 H ALA A2613 9.225 11.589 8.188 1.00 0.00 H new ATOM 0 HA ALA A2613 7.714 13.129 8.298 1.00 0.00 H new ATOM 0 HB1 ALA A2613 5.884 13.001 9.989 1.00 0.00 H new ATOM 0 HB2 ALA A2613 6.216 11.428 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A2613 6.813 11.763 10.868 1.00 0.00 H new ATOM 813 N ASP A2614 9.690 14.025 10.317 1.00 0.00 N ATOM 814 CA ASP A2614 10.259 15.098 11.124 1.00 0.00 C ATOM 815 C ASP A2614 10.246 16.400 10.363 1.00 0.00 C ATOM 816 O ASP A2614 10.207 17.483 10.944 1.00 0.00 O ATOM 817 CB ASP A2614 11.658 14.734 11.610 1.00 0.00 C ATOM 818 CG ASP A2614 12.291 15.791 12.460 1.00 0.00 C ATOM 819 OD1 ASP A2614 11.898 15.924 13.636 1.00 0.00 O ATOM 820 OD2 ASP A2614 13.199 16.491 11.980 1.00 0.00 O ATOM 0 H ASP A2614 10.373 13.364 9.947 1.00 0.00 H new ATOM 0 HA ASP A2614 9.638 15.231 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A2614 11.606 13.805 12.178 1.00 0.00 H new ATOM 0 HB3 ASP A2614 12.295 14.544 10.747 1.00 0.00 H new ATOM 825 N VAL A2615 10.224 16.285 9.067 1.00 0.00 N ATOM 826 CA VAL A2615 10.127 17.432 8.198 1.00 0.00 C ATOM 827 C VAL A2615 8.673 17.885 8.045 1.00 0.00 C ATOM 828 O VAL A2615 7.973 17.537 7.081 1.00 0.00 O ATOM 829 CB VAL A2615 10.810 17.237 6.805 1.00 0.00 C ATOM 830 CG1 VAL A2615 12.318 17.294 6.938 1.00 0.00 C ATOM 831 CG2 VAL A2615 10.419 15.907 6.181 1.00 0.00 C ATOM 0 H VAL A2615 10.273 15.392 8.577 1.00 0.00 H new ATOM 0 HA VAL A2615 10.692 18.223 8.690 1.00 0.00 H new ATOM 0 HB VAL A2615 10.468 18.046 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A2615 12.775 17.156 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A2615 12.611 18.263 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A2615 12.654 16.504 7.609 1.00 0.00 H new ATOM 0 HG21 VAL A2615 10.910 15.801 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A2615 10.728 15.093 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A2615 9.338 15.873 6.045 1.00 0.00 H new ATOM 841 N LEU A2616 8.195 18.572 9.041 1.00 0.00 N ATOM 842 CA LEU A2616 6.858 19.099 9.030 1.00 0.00 C ATOM 843 C LEU A2616 6.977 20.526 8.566 1.00 0.00 C ATOM 844 O LEU A2616 7.314 21.421 9.342 1.00 0.00 O ATOM 845 CB LEU A2616 6.212 18.979 10.448 1.00 0.00 C ATOM 846 CG LEU A2616 4.680 19.250 10.613 1.00 0.00 C ATOM 847 CD1 LEU A2616 4.298 20.712 10.389 1.00 0.00 C ATOM 848 CD2 LEU A2616 3.866 18.343 9.700 1.00 0.00 C ATOM 0 H LEU A2616 8.722 18.784 9.888 1.00 0.00 H new ATOM 0 HA LEU A2616 6.201 18.543 8.361 1.00 0.00 H new ATOM 0 HB2 LEU A2616 6.408 17.971 10.814 1.00 0.00 H new ATOM 0 HB3 LEU A2616 6.740 19.667 11.109 1.00 0.00 H new ATOM 0 HG LEU A2616 4.443 19.020 11.652 1.00 0.00 H new ATOM 0 HD11 LEU A2616 3.222 20.831 10.518 1.00 0.00 H new ATOM 0 HD12 LEU A2616 4.822 21.340 11.110 1.00 0.00 H new ATOM 0 HD13 LEU A2616 4.577 21.010 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A2616 2.804 18.551 9.833 1.00 0.00 H new ATOM 0 HD22 LEU A2616 4.144 18.527 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A2616 4.066 17.301 9.950 1.00 0.00 H new ATOM 860 N PHE A2617 6.783 20.723 7.297 1.00 0.00 N ATOM 861 CA PHE A2617 6.945 22.019 6.716 1.00 0.00 C ATOM 862 C PHE A2617 5.741 22.881 6.862 1.00 0.00 C ATOM 863 O PHE A2617 4.594 22.413 6.824 1.00 0.00 O ATOM 864 CB PHE A2617 7.392 21.948 5.258 1.00 0.00 C ATOM 865 CG PHE A2617 8.874 21.800 5.097 1.00 0.00 C ATOM 866 CD1 PHE A2617 9.498 20.578 5.247 1.00 0.00 C ATOM 867 CD2 PHE A2617 9.648 22.906 4.791 1.00 0.00 C ATOM 868 CE1 PHE A2617 10.866 20.465 5.096 1.00 0.00 C ATOM 869 CE2 PHE A2617 11.007 22.795 4.639 1.00 0.00 C ATOM 870 CZ PHE A2617 11.618 21.573 4.793 1.00 0.00 C ATOM 0 H PHE A2617 6.509 19.993 6.639 1.00 0.00 H new ATOM 0 HA PHE A2617 7.743 22.493 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A2617 6.896 21.107 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A2617 7.066 22.851 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A2617 8.911 19.703 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A2617 9.176 23.870 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A2617 11.345 19.504 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A2617 11.597 23.667 4.398 1.00 0.00 H new ATOM 0 HZ PHE A2617 12.688 21.485 4.676 1.00 0.00 H new ATOM 880 N SER A2618 6.007 24.112 7.127 1.00 0.00 N ATOM 881 CA SER A2618 5.032 25.137 7.163 1.00 0.00 C ATOM 882 C SER A2618 5.701 26.396 6.646 1.00 0.00 C ATOM 883 O SER A2618 6.246 27.198 7.405 1.00 0.00 O ATOM 884 CB SER A2618 4.450 25.305 8.570 1.00 0.00 C ATOM 885 OG SER A2618 3.893 24.069 9.022 1.00 0.00 O ATOM 0 H SER A2618 6.950 24.442 7.333 1.00 0.00 H new ATOM 0 HA SER A2618 4.177 24.891 6.534 1.00 0.00 H new ATOM 0 HB2 SER A2618 5.229 25.635 9.257 1.00 0.00 H new ATOM 0 HB3 SER A2618 3.682 26.078 8.564 1.00 0.00 H new ATOM 0 HG SER A2618 3.525 24.186 9.923 1.00 0.00 H new ATOM 891 N SER A2619 5.753 26.501 5.345 1.00 0.00 N ATOM 892 CA SER A2619 6.472 27.567 4.699 1.00 0.00 C ATOM 893 C SER A2619 5.605 28.244 3.640 1.00 0.00 C ATOM 894 O SER A2619 5.587 29.479 3.531 1.00 0.00 O ATOM 895 CB SER A2619 7.764 26.999 4.087 1.00 0.00 C ATOM 896 OG SER A2619 8.560 28.008 3.505 1.00 0.00 O ATOM 0 H SER A2619 5.299 25.851 4.703 1.00 0.00 H new ATOM 0 HA SER A2619 6.732 28.329 5.433 1.00 0.00 H new ATOM 0 HB2 SER A2619 8.336 26.486 4.860 1.00 0.00 H new ATOM 0 HB3 SER A2619 7.511 26.255 3.331 1.00 0.00 H new ATOM 0 HG SER A2619 9.372 27.608 3.129 1.00 0.00 H new ATOM 902 N PHE A2620 4.894 27.451 2.869 1.00 0.00 N ATOM 903 CA PHE A2620 4.012 27.972 1.845 1.00 0.00 C ATOM 904 C PHE A2620 2.628 27.580 2.249 1.00 0.00 C ATOM 905 O PHE A2620 2.102 26.552 1.781 1.00 0.00 O ATOM 906 CB PHE A2620 4.350 27.383 0.464 1.00 0.00 C ATOM 907 CG PHE A2620 5.781 27.580 0.026 1.00 0.00 C ATOM 908 CD1 PHE A2620 6.162 28.717 -0.658 1.00 0.00 C ATOM 909 CD2 PHE A2620 6.742 26.616 0.299 1.00 0.00 C ATOM 910 CE1 PHE A2620 7.471 28.894 -1.062 1.00 0.00 C ATOM 911 CE2 PHE A2620 8.053 26.789 -0.101 1.00 0.00 C ATOM 912 CZ PHE A2620 8.417 27.930 -0.782 1.00 0.00 C ATOM 0 H PHE A2620 4.909 26.433 2.932 1.00 0.00 H new ATOM 0 HA PHE A2620 4.117 29.053 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A2620 4.132 26.315 0.477 1.00 0.00 H new ATOM 0 HB3 PHE A2620 3.692 27.834 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A2620 5.428 29.477 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A2620 6.461 25.719 0.831 1.00 0.00 H new ATOM 0 HE1 PHE A2620 7.754 29.788 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A2620 8.791 26.032 0.120 1.00 0.00 H new ATOM 0 HZ PHE A2620 9.441 28.069 -1.096 1.00 0.00 H new ATOM 922 N GLN A2621 2.079 28.351 3.201 1.00 0.00 N ATOM 923 CA GLN A2621 0.832 28.058 3.929 1.00 0.00 C ATOM 924 C GLN A2621 1.160 26.969 4.925 1.00 0.00 C ATOM 925 O GLN A2621 1.161 27.187 6.138 1.00 0.00 O ATOM 926 CB GLN A2621 -0.347 27.659 3.012 1.00 0.00 C ATOM 927 CG GLN A2621 -0.695 28.710 1.968 1.00 0.00 C ATOM 928 CD GLN A2621 -1.089 30.040 2.573 1.00 0.00 C ATOM 929 OE1 GLN A2621 -1.647 30.104 3.662 1.00 0.00 O ATOM 930 NE2 GLN A2621 -0.790 31.111 1.882 1.00 0.00 N ATOM 0 H GLN A2621 2.507 29.229 3.497 1.00 0.00 H new ATOM 0 HA GLN A2621 0.483 28.963 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A2621 -0.102 26.725 2.506 1.00 0.00 H new ATOM 0 HB3 GLN A2621 -1.226 27.467 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A2621 0.161 28.857 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A2621 -1.514 28.342 1.350 1.00 0.00 H new ATOM 0 HE21 GLN A2621 -0.325 31.022 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A2621 -1.022 32.035 2.247 1.00 0.00 H new ATOM 939 N LYS A2622 1.508 25.830 4.389 1.00 0.00 N ATOM 940 CA LYS A2622 2.020 24.716 5.113 1.00 0.00 C ATOM 941 C LYS A2622 3.072 24.067 4.223 1.00 0.00 C ATOM 942 O LYS A2622 4.205 24.605 4.149 1.00 0.00 O ATOM 943 CB LYS A2622 0.932 23.699 5.509 1.00 0.00 C ATOM 944 CG LYS A2622 -0.147 24.265 6.420 1.00 0.00 C ATOM 945 CD LYS A2622 -0.991 23.181 7.063 1.00 0.00 C ATOM 946 CE LYS A2622 -1.691 22.295 6.048 1.00 0.00 C ATOM 947 NZ LYS A2622 -2.457 21.232 6.714 1.00 0.00 N ATOM 948 OXT LYS A2622 2.755 23.065 3.525 1.00 0.00 O ATOM 0 H LYS A2622 1.436 25.654 3.387 1.00 0.00 H new ATOM 0 HA LYS A2622 2.443 25.059 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A2622 0.463 23.315 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A2622 1.405 22.853 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A2622 0.319 24.868 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A2622 -0.792 24.930 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A2622 -0.357 22.564 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A2622 -1.737 23.644 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A2622 -2.359 22.898 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A2622 -0.954 21.852 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A2622 -2.925 20.641 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A2622 -1.814 20.644 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A2622 -3.175 21.658 7.335 1.00 0.00 H new TER 962 LYS A2622