USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 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: A 7 THR OG1 : rot -102:sc= 0.249 USER MOD Set 1.2: A 65 TYR OH : rot -154:sc= 2.29 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -160:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 150:sc= 0.3 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0.907 (180deg=0.831) USER MOD Single : A 17 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.96) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 20 GLN : amide:sc= 0.729 K(o=0.73,f=-0.023) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0.911 K(o=0.91,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.159 K(o=0.16,f=-1.2) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.47) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.203 X(o=0.2,f=-0.053) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -43:sc= 0.769 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= 1.16 (180deg=-0.228) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.908 6.174 14.498 1.00 0.00 N ATOM 2 CA GLY A 1 14.080 5.364 14.153 1.00 0.00 C ATOM 3 C GLY A 1 14.664 5.835 12.833 1.00 0.00 C ATOM 4 O GLY A 1 15.017 7.006 12.683 1.00 0.00 O ATOM 0 H1 GLY A 1 12.513 5.846 15.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.189 7.172 14.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.189 6.080 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.830 5.440 14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.798 4.313 14.082 1.00 0.00 H new ATOM 8 N MET A 2 14.784 4.924 11.866 1.00 0.00 N ATOM 9 CA MET A 2 15.270 5.216 10.512 1.00 0.00 C ATOM 10 C MET A 2 14.700 4.246 9.479 1.00 0.00 C ATOM 11 O MET A 2 15.159 4.192 8.341 1.00 0.00 O ATOM 12 CB MET A 2 16.808 5.181 10.520 1.00 0.00 C ATOM 13 CG MET A 2 17.370 3.775 10.778 1.00 0.00 C ATOM 14 SD MET A 2 18.830 3.728 11.847 1.00 0.00 S ATOM 15 CE MET A 2 18.075 4.066 13.462 1.00 0.00 C ATOM 0 H MET A 2 14.542 3.943 12.002 1.00 0.00 H new ATOM 0 HA MET A 2 14.928 6.209 10.221 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.180 5.546 9.563 1.00 0.00 H new ATOM 0 HB3 MET A 2 17.178 5.862 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 2 16.588 3.163 11.227 1.00 0.00 H new ATOM 0 HG3 MET A 2 17.622 3.318 9.821 1.00 0.00 H new ATOM 0 HE1 MET A 2 18.847 4.071 14.231 1.00 0.00 H new ATOM 0 HE2 MET A 2 17.582 5.038 13.437 1.00 0.00 H new ATOM 0 HE3 MET A 2 17.341 3.293 13.690 1.00 0.00 H new ATOM 25 N VAL A 3 13.729 3.441 9.895 1.00 0.00 N ATOM 26 CA VAL A 3 13.241 2.301 9.152 1.00 0.00 C ATOM 27 C VAL A 3 12.164 2.799 8.182 1.00 0.00 C ATOM 28 O VAL A 3 11.017 3.049 8.567 1.00 0.00 O ATOM 29 CB VAL A 3 12.921 1.166 10.152 1.00 0.00 C ATOM 30 CG1 VAL A 3 11.903 1.512 11.250 1.00 0.00 C ATOM 31 CG2 VAL A 3 12.531 -0.139 9.464 1.00 0.00 C ATOM 0 H VAL A 3 13.250 3.573 10.786 1.00 0.00 H new ATOM 0 HA VAL A 3 13.961 1.823 8.488 1.00 0.00 H new ATOM 0 HB VAL A 3 13.873 1.027 10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.754 0.645 11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.278 2.345 11.844 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.954 1.791 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.318 -0.898 10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.644 0.023 8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 3 13.352 -0.476 8.831 1.00 0.00 H new ATOM 41 N LYS A 4 12.578 3.103 6.949 1.00 0.00 N ATOM 42 CA LYS A 4 11.722 3.480 5.827 1.00 0.00 C ATOM 43 C LYS A 4 12.194 2.760 4.564 1.00 0.00 C ATOM 44 O LYS A 4 12.251 3.333 3.474 1.00 0.00 O ATOM 45 CB LYS A 4 11.625 5.009 5.694 1.00 0.00 C ATOM 46 CG LYS A 4 12.956 5.762 5.522 1.00 0.00 C ATOM 47 CD LYS A 4 13.287 6.591 6.768 1.00 0.00 C ATOM 48 CE LYS A 4 14.659 7.255 6.641 1.00 0.00 C ATOM 49 NZ LYS A 4 14.778 8.374 7.593 1.00 0.00 N ATOM 0 H LYS A 4 13.566 3.092 6.697 1.00 0.00 H new ATOM 0 HA LYS A 4 10.697 3.153 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.989 5.239 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.123 5.399 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.759 5.049 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.898 6.416 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.523 7.354 6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.270 5.950 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.444 6.523 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.802 7.618 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.715 8.815 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.041 9.080 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.663 8.018 8.563 1.00 0.00 H new ATOM 63 N GLU A 5 12.520 1.482 4.726 1.00 0.00 N ATOM 64 CA GLU A 5 12.718 0.508 3.671 1.00 0.00 C ATOM 65 C GLU A 5 11.921 -0.728 4.102 1.00 0.00 C ATOM 66 O GLU A 5 12.309 -1.456 5.016 1.00 0.00 O ATOM 67 CB GLU A 5 14.222 0.261 3.427 1.00 0.00 C ATOM 68 CG GLU A 5 15.015 -0.328 4.609 1.00 0.00 C ATOM 69 CD GLU A 5 16.519 -0.093 4.498 1.00 0.00 C ATOM 70 OE1 GLU A 5 17.131 -0.506 3.488 1.00 0.00 O ATOM 71 OE2 GLU A 5 17.075 0.561 5.418 1.00 0.00 O ATOM 0 H GLU A 5 12.660 1.080 5.653 1.00 0.00 H new ATOM 0 HA GLU A 5 12.355 0.844 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.325 -0.412 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.683 1.207 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.652 0.113 5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.824 -1.400 4.669 1.00 0.00 H new ATOM 78 N THR A 6 10.728 -0.902 3.548 1.00 0.00 N ATOM 79 CA THR A 6 9.933 -2.111 3.696 1.00 0.00 C ATOM 80 C THR A 6 9.258 -2.375 2.361 1.00 0.00 C ATOM 81 O THR A 6 9.201 -1.498 1.495 1.00 0.00 O ATOM 82 CB THR A 6 8.891 -2.024 4.836 1.00 0.00 C ATOM 83 OG1 THR A 6 8.768 -0.730 5.409 1.00 0.00 O ATOM 84 CG2 THR A 6 9.162 -3.083 5.903 1.00 0.00 C ATOM 0 H THR A 6 10.278 -0.191 2.972 1.00 0.00 H new ATOM 0 HA THR A 6 10.591 -2.933 3.977 1.00 0.00 H new ATOM 0 HB THR A 6 7.925 -2.228 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.356 -0.802 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.416 -3.002 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.108 -4.075 5.454 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.156 -2.929 6.324 1.00 0.00 H new ATOM 92 N THR A 7 8.687 -3.561 2.219 1.00 0.00 N ATOM 93 CA THR A 7 7.980 -3.948 1.021 1.00 0.00 C ATOM 94 C THR A 7 6.635 -3.211 0.935 1.00 0.00 C ATOM 95 O THR A 7 6.290 -2.364 1.777 1.00 0.00 O ATOM 96 CB THR A 7 7.860 -5.475 1.032 1.00 0.00 C ATOM 97 OG1 THR A 7 7.512 -5.960 -0.234 1.00 0.00 O ATOM 98 CG2 THR A 7 6.842 -5.960 2.071 1.00 0.00 C ATOM 0 H THR A 7 8.705 -4.282 2.940 1.00 0.00 H new ATOM 0 HA THR A 7 8.517 -3.660 0.117 1.00 0.00 H new ATOM 0 HB THR A 7 8.839 -5.867 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.557 -6.181 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.787 -7.048 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.152 -5.635 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.862 -5.542 1.842 1.00 0.00 H new ATOM 106 N TYR A 8 5.848 -3.584 -0.068 1.00 0.00 N ATOM 107 CA TYR A 8 4.496 -3.105 -0.324 1.00 0.00 C ATOM 108 C TYR A 8 3.495 -3.702 0.673 1.00 0.00 C ATOM 109 O TYR A 8 2.492 -4.297 0.298 1.00 0.00 O ATOM 110 CB TYR A 8 4.082 -3.419 -1.768 1.00 0.00 C ATOM 111 CG TYR A 8 5.049 -2.988 -2.853 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.638 -1.710 -2.844 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.347 -3.883 -3.888 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.515 -1.328 -3.876 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.278 -3.543 -4.883 1.00 0.00 C ATOM 116 CZ TYR A 8 6.881 -2.265 -4.872 1.00 0.00 C ATOM 117 OH TYR A 8 7.799 -1.933 -5.822 1.00 0.00 O ATOM 0 H TYR A 8 6.154 -4.266 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 8 4.490 -2.023 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.929 -4.495 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.120 -2.944 -1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.416 -1.020 -2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.856 -4.844 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.908 -0.323 -3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.532 -4.256 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 8 7.934 -2.693 -6.426 1.00 0.00 H new ATOM 127 N TYR A 9 3.733 -3.533 1.969 1.00 0.00 N ATOM 128 CA TYR A 9 2.756 -3.869 2.995 1.00 0.00 C ATOM 129 C TYR A 9 2.853 -2.831 4.105 1.00 0.00 C ATOM 130 O TYR A 9 1.868 -2.152 4.395 1.00 0.00 O ATOM 131 CB TYR A 9 2.954 -5.313 3.485 1.00 0.00 C ATOM 132 CG TYR A 9 2.371 -6.396 2.576 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.986 -6.427 2.315 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.188 -7.424 2.056 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.428 -7.454 1.531 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.632 -8.457 1.276 1.00 0.00 C ATOM 137 CZ TYR A 9 1.248 -8.470 1.000 1.00 0.00 C ATOM 138 OH TYR A 9 0.704 -9.446 0.221 1.00 0.00 O ATOM 0 H TYR A 9 4.608 -3.159 2.336 1.00 0.00 H new ATOM 0 HA TYR A 9 1.743 -3.838 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.022 -5.496 3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.503 -5.409 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.348 -5.656 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.249 -7.418 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.634 -7.464 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.266 -9.241 0.888 1.00 0.00 H new ATOM 0 HH TYR A 9 1.370 -9.757 -0.427 1.00 0.00 H new ATOM 148 N ASP A 10 4.053 -2.622 4.653 1.00 0.00 N ATOM 149 CA ASP A 10 4.244 -1.644 5.727 1.00 0.00 C ATOM 150 C ASP A 10 4.042 -0.204 5.249 1.00 0.00 C ATOM 151 O ASP A 10 3.659 0.654 6.052 1.00 0.00 O ATOM 152 CB ASP A 10 5.603 -1.808 6.414 1.00 0.00 C ATOM 153 CG ASP A 10 5.387 -2.164 7.895 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.210 -1.229 8.714 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.310 -3.372 8.215 1.00 0.00 O ATOM 0 H ASP A 10 4.902 -3.113 4.373 1.00 0.00 H new ATOM 0 HA ASP A 10 3.470 -1.850 6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.180 -2.590 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.179 -0.886 6.330 1.00 0.00 H new ATOM 160 N VAL A 11 4.182 0.060 3.936 1.00 0.00 N ATOM 161 CA VAL A 11 3.764 1.339 3.355 1.00 0.00 C ATOM 162 C VAL A 11 2.318 1.622 3.750 1.00 0.00 C ATOM 163 O VAL A 11 1.965 2.755 4.082 1.00 0.00 O ATOM 164 CB VAL A 11 3.898 1.382 1.810 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.443 2.731 1.225 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.312 1.126 1.286 1.00 0.00 C ATOM 0 H VAL A 11 4.580 -0.596 3.264 1.00 0.00 H new ATOM 0 HA VAL A 11 4.433 2.104 3.750 1.00 0.00 H new ATOM 0 HB VAL A 11 3.250 0.568 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.555 2.714 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.397 2.904 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.054 3.532 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.311 1.175 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.989 1.882 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.645 0.138 1.604 1.00 0.00 H new ATOM 176 N LEU A 12 1.470 0.595 3.706 1.00 0.00 N ATOM 177 CA LEU A 12 0.034 0.681 3.931 1.00 0.00 C ATOM 178 C LEU A 12 -0.288 0.358 5.397 1.00 0.00 C ATOM 179 O LEU A 12 -1.441 0.104 5.757 1.00 0.00 O ATOM 180 CB LEU A 12 -0.705 -0.218 2.933 1.00 0.00 C ATOM 181 CG LEU A 12 -0.257 0.016 1.469 1.00 0.00 C ATOM 182 CD1 LEU A 12 0.505 -1.202 0.933 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.419 0.375 0.554 1.00 0.00 C ATOM 0 H LEU A 12 1.780 -0.356 3.504 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.316 1.698 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.536 -1.262 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.777 -0.038 3.013 1.00 0.00 H new ATOM 0 HG LEU A 12 0.415 0.874 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.810 -1.016 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.388 -1.378 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.141 -2.079 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.050 0.528 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.148 -0.436 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.893 1.290 0.910 1.00 0.00 H new ATOM 195 N GLY A 13 0.737 0.360 6.255 1.00 0.00 N ATOM 196 CA GLY A 13 0.633 0.106 7.676 1.00 0.00 C ATOM 197 C GLY A 13 -0.069 -1.210 7.974 1.00 0.00 C ATOM 198 O GLY A 13 -0.752 -1.293 8.999 1.00 0.00 O ATOM 0 H GLY A 13 1.694 0.547 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.631 0.091 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.088 0.922 8.150 1.00 0.00 H new ATOM 202 N VAL A 14 0.053 -2.219 7.106 1.00 0.00 N ATOM 203 CA VAL A 14 -0.448 -3.561 7.367 1.00 0.00 C ATOM 204 C VAL A 14 0.745 -4.493 7.497 1.00 0.00 C ATOM 205 O VAL A 14 1.758 -4.324 6.816 1.00 0.00 O ATOM 206 CB VAL A 14 -1.453 -4.044 6.297 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.751 -3.231 6.336 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.903 -4.037 4.865 1.00 0.00 C ATOM 0 H VAL A 14 0.506 -2.121 6.198 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.015 -3.556 8.298 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.651 -5.083 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.434 -3.599 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.216 -3.335 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.528 -2.180 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.672 -4.390 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.611 -3.023 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.035 -4.693 4.806 1.00 0.00 H new ATOM 218 N LYS A 15 0.600 -5.515 8.338 1.00 0.00 N ATOM 219 CA LYS A 15 1.552 -6.617 8.391 1.00 0.00 C ATOM 220 C LYS A 15 1.760 -7.211 6.992 1.00 0.00 C ATOM 221 O LYS A 15 0.802 -7.334 6.233 1.00 0.00 O ATOM 222 CB LYS A 15 1.129 -7.684 9.418 1.00 0.00 C ATOM 223 CG LYS A 15 -0.377 -7.908 9.634 1.00 0.00 C ATOM 224 CD LYS A 15 -1.201 -8.197 8.381 1.00 0.00 C ATOM 225 CE LYS A 15 -2.655 -8.574 8.680 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.859 -10.013 8.951 1.00 0.00 N ATOM 0 H LYS A 15 -0.175 -5.601 8.996 1.00 0.00 H new ATOM 0 HA LYS A 15 2.511 -6.225 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.570 -8.634 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.570 -7.419 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.504 -8.740 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.789 -7.023 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.187 -7.319 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.730 -9.008 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.999 -8.000 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.277 -8.282 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.878 -10.220 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.410 -10.575 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.433 -10.257 9.868 1.00 0.00 H new ATOM 240 N PRO A 16 2.968 -7.701 6.655 1.00 0.00 N ATOM 241 CA PRO A 16 3.228 -8.329 5.366 1.00 0.00 C ATOM 242 C PRO A 16 2.588 -9.711 5.182 1.00 0.00 C ATOM 243 O PRO A 16 2.797 -10.358 4.152 1.00 0.00 O ATOM 244 CB PRO A 16 4.750 -8.303 5.228 1.00 0.00 C ATOM 245 CG PRO A 16 5.232 -8.381 6.666 1.00 0.00 C ATOM 246 CD PRO A 16 4.198 -7.540 7.400 1.00 0.00 C ATOM 0 HA PRO A 16 2.746 -7.784 4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.115 -9.142 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.094 -7.393 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.256 -9.407 7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.239 -7.979 6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.079 -7.875 8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.499 -6.493 7.438 1.00 0.00 H new ATOM 254 N ASN A 17 1.775 -10.164 6.140 1.00 0.00 N ATOM 255 CA ASN A 17 0.826 -11.271 5.997 1.00 0.00 C ATOM 256 C ASN A 17 -0.610 -10.722 5.963 1.00 0.00 C ATOM 257 O ASN A 17 -1.495 -11.189 6.686 1.00 0.00 O ATOM 258 CB ASN A 17 1.042 -12.298 7.120 1.00 0.00 C ATOM 259 CG ASN A 17 0.224 -13.577 6.925 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.417 -13.812 5.899 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.250 -14.448 7.916 1.00 0.00 N ATOM 0 H ASN A 17 1.759 -9.753 7.073 1.00 0.00 H new ATOM 0 HA ASN A 17 0.996 -11.791 5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.100 -12.554 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.776 -11.845 8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.264 -15.326 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.784 -14.244 8.761 1.00 0.00 H new ATOM 268 N ALA A 18 -0.825 -9.635 5.219 1.00 0.00 N ATOM 269 CA ALA A 18 -2.146 -9.108 4.908 1.00 0.00 C ATOM 270 C ALA A 18 -2.744 -9.897 3.739 1.00 0.00 C ATOM 271 O ALA A 18 -2.112 -10.791 3.166 1.00 0.00 O ATOM 272 CB ALA A 18 -2.039 -7.615 4.567 1.00 0.00 C ATOM 0 H ALA A 18 -0.067 -9.089 4.810 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.803 -9.215 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.029 -7.223 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.626 -7.076 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.386 -7.485 3.704 1.00 0.00 H new ATOM 278 N THR A 19 -3.966 -9.549 3.365 1.00 0.00 N ATOM 279 CA THR A 19 -4.800 -10.205 2.371 1.00 0.00 C ATOM 280 C THR A 19 -5.367 -9.153 1.396 1.00 0.00 C ATOM 281 O THR A 19 -5.330 -7.960 1.698 1.00 0.00 O ATOM 282 CB THR A 19 -5.856 -11.020 3.150 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.231 -10.408 4.366 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.270 -12.379 3.520 1.00 0.00 C ATOM 0 H THR A 19 -4.434 -8.742 3.779 1.00 0.00 H new ATOM 0 HA THR A 19 -4.252 -10.899 1.734 1.00 0.00 H new ATOM 0 HB THR A 19 -6.727 -11.096 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.901 -10.962 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.012 -12.958 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.992 -12.915 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.386 -12.237 4.142 1.00 0.00 H new ATOM 292 N GLN A 20 -5.855 -9.564 0.215 1.00 0.00 N ATOM 293 CA GLN A 20 -6.349 -8.655 -0.833 1.00 0.00 C ATOM 294 C GLN A 20 -7.440 -7.740 -0.267 1.00 0.00 C ATOM 295 O GLN A 20 -7.464 -6.527 -0.473 1.00 0.00 O ATOM 296 CB GLN A 20 -6.950 -9.467 -1.998 1.00 0.00 C ATOM 297 CG GLN A 20 -6.005 -10.428 -2.735 1.00 0.00 C ATOM 298 CD GLN A 20 -5.244 -9.800 -3.890 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.425 -10.194 -5.040 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.376 -8.845 -3.616 1.00 0.00 N ATOM 0 H GLN A 20 -5.919 -10.549 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.510 -8.057 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.789 -10.046 -1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.356 -8.765 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.288 -10.831 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.585 -11.269 -3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.245 -8.536 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.836 -8.415 -4.367 1.00 0.00 H new ATOM 309 N GLU A 21 -8.359 -8.345 0.474 1.00 0.00 N ATOM 310 CA GLU A 21 -9.443 -7.692 1.164 1.00 0.00 C ATOM 311 C GLU A 21 -8.933 -6.641 2.143 1.00 0.00 C ATOM 312 O GLU A 21 -9.433 -5.517 2.154 1.00 0.00 O ATOM 313 CB GLU A 21 -10.318 -8.716 1.870 1.00 0.00 C ATOM 314 CG GLU A 21 -9.533 -9.856 2.513 1.00 0.00 C ATOM 315 CD GLU A 21 -10.403 -10.807 3.325 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.596 -10.500 3.535 1.00 0.00 O ATOM 317 OE2 GLU A 21 -9.866 -11.854 3.759 1.00 0.00 O ATOM 0 H GLU A 21 -8.361 -9.356 0.611 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.049 -7.174 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.904 -8.212 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.025 -9.133 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.021 -10.420 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.763 -9.437 3.161 1.00 0.00 H new ATOM 324 N GLU A 22 -7.932 -6.997 2.946 1.00 0.00 N ATOM 325 CA GLU A 22 -7.327 -6.113 3.924 1.00 0.00 C ATOM 326 C GLU A 22 -6.702 -4.931 3.210 1.00 0.00 C ATOM 327 O GLU A 22 -6.893 -3.813 3.673 1.00 0.00 O ATOM 328 CB GLU A 22 -6.299 -6.849 4.800 1.00 0.00 C ATOM 329 CG GLU A 22 -6.961 -7.805 5.802 1.00 0.00 C ATOM 330 CD GLU A 22 -7.542 -7.111 7.036 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.391 -6.210 6.885 1.00 0.00 O ATOM 332 OE2 GLU A 22 -7.150 -7.438 8.183 1.00 0.00 O ATOM 0 H GLU A 22 -7.515 -7.928 2.930 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.104 -5.752 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.618 -7.411 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.698 -6.118 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.758 -8.350 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.226 -8.542 6.125 1.00 0.00 H new ATOM 339 N LEU A 23 -6.024 -5.123 2.067 1.00 0.00 N ATOM 340 CA LEU A 23 -5.509 -3.998 1.297 1.00 0.00 C ATOM 341 C LEU A 23 -6.623 -3.022 0.953 1.00 0.00 C ATOM 342 O LEU A 23 -6.464 -1.829 1.180 1.00 0.00 O ATOM 343 CB LEU A 23 -4.805 -4.457 0.009 1.00 0.00 C ATOM 344 CG LEU A 23 -3.298 -4.667 0.153 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.543 -3.378 0.492 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.937 -5.718 1.189 1.00 0.00 C ATOM 0 H LEU A 23 -5.825 -6.039 1.666 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.773 -3.496 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.259 -5.390 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.983 -3.717 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.987 -5.016 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.478 -3.593 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.700 -2.645 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.913 -2.977 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.853 -5.819 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.322 -5.416 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.377 -6.674 0.906 1.00 0.00 H new ATOM 358 N LYS A 24 -7.755 -3.492 0.431 1.00 0.00 N ATOM 359 CA LYS A 24 -8.857 -2.608 0.047 1.00 0.00 C ATOM 360 C LYS A 24 -9.462 -1.880 1.262 1.00 0.00 C ATOM 361 O LYS A 24 -9.857 -0.720 1.144 1.00 0.00 O ATOM 362 CB LYS A 24 -9.875 -3.422 -0.777 1.00 0.00 C ATOM 363 CG LYS A 24 -9.334 -3.755 -2.193 1.00 0.00 C ATOM 364 CD LYS A 24 -9.770 -5.133 -2.715 1.00 0.00 C ATOM 365 CE LYS A 24 -9.100 -5.511 -4.053 1.00 0.00 C ATOM 366 NZ LYS A 24 -9.890 -5.131 -5.249 1.00 0.00 N ATOM 0 H LYS A 24 -7.934 -4.482 0.264 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.489 -1.801 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.112 -4.347 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.804 -2.859 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.672 -2.989 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.245 -3.711 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.531 -5.890 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.853 -5.141 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.123 -5.031 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.928 -6.587 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.378 -5.416 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.813 -5.609 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.034 -4.101 -5.257 1.00 0.00 H new ATOM 380 N LYS A 25 -9.512 -2.502 2.447 1.00 0.00 N ATOM 381 CA LYS A 25 -10.013 -1.925 3.675 1.00 0.00 C ATOM 382 C LYS A 25 -9.002 -0.928 4.257 1.00 0.00 C ATOM 383 O LYS A 25 -9.380 0.192 4.605 1.00 0.00 O ATOM 384 CB LYS A 25 -10.334 -3.155 4.525 1.00 0.00 C ATOM 385 CG LYS A 25 -10.245 -2.866 5.998 1.00 0.00 C ATOM 386 CD LYS A 25 -10.944 -3.960 6.802 1.00 0.00 C ATOM 387 CE LYS A 25 -10.673 -3.816 8.306 1.00 0.00 C ATOM 388 NZ LYS A 25 -11.183 -4.956 9.094 1.00 0.00 N ATOM 0 H LYS A 25 -9.188 -3.461 2.568 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.904 -1.305 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.337 -3.508 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.644 -3.960 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.199 -2.798 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.702 -1.900 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.018 -3.917 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.602 -4.937 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.600 -3.720 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.134 -2.896 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.972 -4.804 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.212 -5.035 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.725 -5.833 8.773 1.00 0.00 H new ATOM 402 N ALA A 26 -7.734 -1.311 4.376 1.00 0.00 N ATOM 403 CA ALA A 26 -6.655 -0.481 4.887 1.00 0.00 C ATOM 404 C ALA A 26 -6.426 0.736 3.984 1.00 0.00 C ATOM 405 O ALA A 26 -6.127 1.828 4.461 1.00 0.00 O ATOM 406 CB ALA A 26 -5.395 -1.332 5.042 1.00 0.00 C ATOM 0 H ALA A 26 -7.421 -2.244 4.108 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.926 -0.091 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.583 -0.714 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.590 -2.147 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.112 -1.743 4.073 1.00 0.00 H new ATOM 412 N TYR A 27 -6.648 0.576 2.685 1.00 0.00 N ATOM 413 CA TYR A 27 -6.532 1.642 1.708 1.00 0.00 C ATOM 414 C TYR A 27 -7.566 2.719 2.009 1.00 0.00 C ATOM 415 O TYR A 27 -7.197 3.881 2.148 1.00 0.00 O ATOM 416 CB TYR A 27 -6.660 1.089 0.288 1.00 0.00 C ATOM 417 CG TYR A 27 -6.614 2.160 -0.776 1.00 0.00 C ATOM 418 CD1 TYR A 27 -5.380 2.719 -1.148 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.802 2.608 -1.372 1.00 0.00 C ATOM 420 CE1 TYR A 27 -5.317 3.725 -2.130 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.753 3.598 -2.372 1.00 0.00 C ATOM 422 CZ TYR A 27 -6.511 4.155 -2.758 1.00 0.00 C ATOM 423 OH TYR A 27 -6.496 5.129 -3.708 1.00 0.00 O ATOM 0 H TYR A 27 -6.919 -0.319 2.277 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.544 2.098 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.856 0.375 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.598 0.541 0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.472 2.374 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.751 2.195 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.368 4.164 -2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.664 3.933 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.409 5.290 -4.026 1.00 0.00 H new ATOM 433 N ARG A 28 -8.839 2.345 2.192 1.00 0.00 N ATOM 434 CA ARG A 28 -9.899 3.276 2.571 1.00 0.00 C ATOM 435 C ARG A 28 -9.499 4.120 3.784 1.00 0.00 C ATOM 436 O ARG A 28 -9.570 5.344 3.728 1.00 0.00 O ATOM 437 CB ARG A 28 -11.214 2.519 2.804 1.00 0.00 C ATOM 438 CG ARG A 28 -11.947 2.122 1.511 1.00 0.00 C ATOM 439 CD ARG A 28 -13.416 1.834 1.855 1.00 0.00 C ATOM 440 NE ARG A 28 -14.078 0.965 0.866 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.487 -0.300 1.052 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.285 -0.948 2.200 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.096 -0.923 0.055 1.00 0.00 N ATOM 0 H ARG A 28 -9.159 1.383 2.080 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.056 3.973 1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.005 1.619 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.876 3.139 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.880 2.924 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.482 1.242 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.468 1.364 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.959 2.777 1.924 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.243 1.367 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.806 -0.482 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.609 -1.909 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.246 -0.442 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.415 -1.884 0.174 1.00 0.00 H new ATOM 457 N LYS A 29 -9.052 3.501 4.877 1.00 0.00 N ATOM 458 CA LYS A 29 -8.713 4.271 6.082 1.00 0.00 C ATOM 459 C LYS A 29 -7.525 5.207 5.841 1.00 0.00 C ATOM 460 O LYS A 29 -7.512 6.308 6.395 1.00 0.00 O ATOM 461 CB LYS A 29 -8.511 3.385 7.329 1.00 0.00 C ATOM 462 CG LYS A 29 -7.484 2.282 7.088 1.00 0.00 C ATOM 463 CD LYS A 29 -6.990 1.473 8.285 1.00 0.00 C ATOM 464 CE LYS A 29 -5.917 2.238 9.068 1.00 0.00 C ATOM 465 NZ LYS A 29 -5.113 1.336 9.916 1.00 0.00 N ATOM 0 H LYS A 29 -8.917 2.493 4.957 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.580 4.895 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.187 4.005 8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.463 2.937 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.911 1.583 6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.614 2.737 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.828 1.243 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.584 0.522 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.263 2.762 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.392 2.996 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.398 1.889 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.734 0.855 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.640 0.628 9.319 1.00 0.00 H new ATOM 479 N LEU A 30 -6.511 4.796 5.072 1.00 0.00 N ATOM 480 CA LEU A 30 -5.290 5.588 4.927 1.00 0.00 C ATOM 481 C LEU A 30 -5.422 6.639 3.835 1.00 0.00 C ATOM 482 O LEU A 30 -4.827 7.701 3.974 1.00 0.00 O ATOM 483 CB LEU A 30 -4.062 4.702 4.705 1.00 0.00 C ATOM 484 CG LEU A 30 -3.650 3.956 5.990 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.662 2.848 5.643 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.999 4.847 7.059 1.00 0.00 C ATOM 0 H LEU A 30 -6.513 3.923 4.544 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.143 6.118 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.274 3.979 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.230 5.315 4.359 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.577 3.568 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.372 2.322 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.129 2.147 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.777 3.282 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.741 4.242 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.096 5.302 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.698 5.629 7.356 1.00 0.00 H new ATOM 498 N ALA A 31 -6.233 6.406 2.803 1.00 0.00 N ATOM 499 CA ALA A 31 -6.558 7.401 1.796 1.00 0.00 C ATOM 500 C ALA A 31 -7.092 8.649 2.495 1.00 0.00 C ATOM 501 O ALA A 31 -6.552 9.735 2.323 1.00 0.00 O ATOM 502 CB ALA A 31 -7.565 6.815 0.797 1.00 0.00 C ATOM 0 H ALA A 31 -6.686 5.506 2.646 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.671 7.684 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.807 7.564 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.131 5.940 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.474 6.524 1.324 1.00 0.00 H new ATOM 508 N LEU A 32 -8.117 8.477 3.329 1.00 0.00 N ATOM 509 CA LEU A 32 -8.733 9.520 4.125 1.00 0.00 C ATOM 510 C LEU A 32 -7.802 10.112 5.191 1.00 0.00 C ATOM 511 O LEU A 32 -8.035 11.237 5.626 1.00 0.00 O ATOM 512 CB LEU A 32 -9.994 8.926 4.771 1.00 0.00 C ATOM 513 CG LEU A 32 -11.200 8.902 3.814 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.007 8.167 2.478 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.413 8.315 4.550 1.00 0.00 C ATOM 0 H LEU A 32 -8.554 7.566 3.469 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.978 10.355 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.781 7.911 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.251 9.507 5.657 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.346 9.944 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.927 8.222 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.196 8.634 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.761 7.123 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.271 8.295 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.184 7.301 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.646 8.932 5.418 1.00 0.00 H new ATOM 527 N LYS A 33 -6.758 9.398 5.636 1.00 0.00 N ATOM 528 CA LYS A 33 -5.753 9.958 6.529 1.00 0.00 C ATOM 529 C LYS A 33 -4.890 10.949 5.749 1.00 0.00 C ATOM 530 O LYS A 33 -4.705 12.084 6.191 1.00 0.00 O ATOM 531 CB LYS A 33 -4.920 8.831 7.177 1.00 0.00 C ATOM 532 CG LYS A 33 -3.783 9.380 8.057 1.00 0.00 C ATOM 533 CD LYS A 33 -3.859 8.971 9.531 1.00 0.00 C ATOM 534 CE LYS A 33 -3.347 7.550 9.791 1.00 0.00 C ATOM 535 NZ LYS A 33 -3.240 7.274 11.240 1.00 0.00 N ATOM 0 H LYS A 33 -6.594 8.423 5.385 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.233 10.498 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.573 8.201 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.499 8.198 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.831 9.042 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.788 10.468 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.277 9.674 10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.893 9.045 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.021 6.828 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.372 7.421 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.891 6.305 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.578 7.948 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.176 7.374 11.683 1.00 0.00 H new ATOM 549 N TYR A 34 -4.330 10.516 4.625 1.00 0.00 N ATOM 550 CA TYR A 34 -3.342 11.267 3.863 1.00 0.00 C ATOM 551 C TYR A 34 -3.977 12.168 2.804 1.00 0.00 C ATOM 552 O TYR A 34 -3.254 12.687 1.957 1.00 0.00 O ATOM 553 CB TYR A 34 -2.344 10.273 3.258 1.00 0.00 C ATOM 554 CG TYR A 34 -1.524 9.548 4.310 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.588 10.255 5.088 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.687 8.167 4.516 1.00 0.00 C ATOM 557 CE1 TYR A 34 0.176 9.595 6.064 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.927 7.497 5.481 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.022 8.215 6.292 1.00 0.00 C ATOM 560 OH TYR A 34 0.652 7.594 7.301 1.00 0.00 O ATOM 0 H TYR A 34 -4.556 9.612 4.210 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.817 11.949 4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.885 9.541 2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.673 10.804 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.456 11.316 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.405 7.618 3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.911 10.140 6.638 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.033 6.429 5.605 1.00 0.00 H new ATOM 0 HH TYR A 34 0.403 6.646 7.326 1.00 0.00 H new ATOM 570 N HIS A 35 -5.305 12.339 2.802 1.00 0.00 N ATOM 571 CA HIS A 35 -5.950 13.030 1.698 1.00 0.00 C ATOM 572 C HIS A 35 -5.460 14.489 1.687 1.00 0.00 C ATOM 573 O HIS A 35 -5.401 15.107 2.754 1.00 0.00 O ATOM 574 CB HIS A 35 -7.472 12.942 1.908 1.00 0.00 C ATOM 575 CG HIS A 35 -8.271 13.042 0.638 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.957 14.149 0.210 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.494 12.041 -0.266 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.572 13.836 -0.940 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.337 12.546 -1.267 1.00 0.00 N ATOM 0 H HIS A 35 -5.934 12.015 3.537 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.704 12.580 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.707 11.998 2.400 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.782 13.739 2.584 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.993 15.052 0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.093 11.040 -0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.171 14.519 -1.523 1.00 0.00 H new ATOM 587 N PRO A 36 -5.232 15.098 0.514 1.00 0.00 N ATOM 588 CA PRO A 36 -4.478 16.351 0.440 1.00 0.00 C ATOM 589 C PRO A 36 -5.279 17.538 0.972 1.00 0.00 C ATOM 590 O PRO A 36 -4.705 18.467 1.535 1.00 0.00 O ATOM 591 CB PRO A 36 -4.103 16.524 -1.036 1.00 0.00 C ATOM 592 CG PRO A 36 -5.090 15.621 -1.773 1.00 0.00 C ATOM 593 CD PRO A 36 -5.330 14.486 -0.797 1.00 0.00 C ATOM 0 HA PRO A 36 -3.590 16.313 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.198 17.562 -1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.072 16.226 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.014 16.147 -2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.677 15.260 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.310 14.033 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.590 13.695 -0.921 1.00 0.00 H new ATOM 601 N ASP A 37 -6.608 17.491 0.847 1.00 0.00 N ATOM 602 CA ASP A 37 -7.516 18.539 1.314 1.00 0.00 C ATOM 603 C ASP A 37 -7.473 18.714 2.835 1.00 0.00 C ATOM 604 O ASP A 37 -7.769 19.796 3.347 1.00 0.00 O ATOM 605 CB ASP A 37 -8.954 18.235 0.853 1.00 0.00 C ATOM 606 CG ASP A 37 -9.726 17.313 1.790 1.00 0.00 C ATOM 607 OD1 ASP A 37 -9.256 16.189 2.027 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.848 17.673 2.247 1.00 0.00 O ATOM 0 H ASP A 37 -7.092 16.707 0.409 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.181 19.478 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.499 19.174 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.918 17.782 -0.138 1.00 0.00 H new ATOM 613 N LYS A 38 -7.087 17.665 3.566 1.00 0.00 N ATOM 614 CA LYS A 38 -7.069 17.621 5.031 1.00 0.00 C ATOM 615 C LYS A 38 -5.707 17.210 5.585 1.00 0.00 C ATOM 616 O LYS A 38 -5.601 17.031 6.804 1.00 0.00 O ATOM 617 CB LYS A 38 -8.200 16.692 5.517 1.00 0.00 C ATOM 618 CG LYS A 38 -9.576 17.364 5.437 1.00 0.00 C ATOM 619 CD LYS A 38 -9.807 18.371 6.570 1.00 0.00 C ATOM 620 CE LYS A 38 -11.036 19.214 6.240 1.00 0.00 C ATOM 621 NZ LYS A 38 -11.267 20.279 7.234 1.00 0.00 N ATOM 0 H LYS A 38 -6.768 16.794 3.141 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.244 18.626 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.206 15.783 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.004 16.391 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.672 17.873 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.352 16.600 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.952 17.848 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.932 19.010 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.913 19.661 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.914 18.569 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.111 20.825 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.411 19.853 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.442 20.911 7.264 1.00 0.00 H new ATOM 635 N ASN A 39 -4.695 17.043 4.733 1.00 0.00 N ATOM 636 CA ASN A 39 -3.343 16.663 5.123 1.00 0.00 C ATOM 637 C ASN A 39 -2.328 17.176 4.082 1.00 0.00 C ATOM 638 O ASN A 39 -1.646 16.372 3.441 1.00 0.00 O ATOM 639 CB ASN A 39 -3.299 15.133 5.300 1.00 0.00 C ATOM 640 CG ASN A 39 -2.141 14.681 6.170 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.269 15.448 6.558 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.160 13.433 6.606 1.00 0.00 N ATOM 0 H ASN A 39 -4.799 17.172 3.727 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.067 17.121 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.236 14.795 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.220 14.660 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.450 13.112 7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.885 12.792 6.285 1.00 0.00 H new ATOM 649 N PRO A 40 -2.227 18.502 3.863 1.00 0.00 N ATOM 650 CA PRO A 40 -1.511 19.095 2.726 1.00 0.00 C ATOM 651 C PRO A 40 0.004 18.848 2.695 1.00 0.00 C ATOM 652 O PRO A 40 0.657 19.146 1.692 1.00 0.00 O ATOM 653 CB PRO A 40 -1.814 20.597 2.788 1.00 0.00 C ATOM 654 CG PRO A 40 -2.235 20.847 4.233 1.00 0.00 C ATOM 655 CD PRO A 40 -2.928 19.542 4.604 1.00 0.00 C ATOM 0 HA PRO A 40 -1.859 18.617 1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.938 21.189 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.607 20.870 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.379 21.049 4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.906 21.702 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.875 19.362 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.984 19.569 4.337 1.00 0.00 H new ATOM 663 N ASN A 41 0.592 18.333 3.778 1.00 0.00 N ATOM 664 CA ASN A 41 1.990 17.911 3.800 1.00 0.00 C ATOM 665 C ASN A 41 2.222 16.617 3.012 1.00 0.00 C ATOM 666 O ASN A 41 3.336 16.379 2.540 1.00 0.00 O ATOM 667 CB ASN A 41 2.440 17.680 5.252 1.00 0.00 C ATOM 668 CG ASN A 41 2.988 18.935 5.910 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.134 18.956 6.345 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.196 19.987 6.024 1.00 0.00 N ATOM 0 H ASN A 41 0.108 18.198 4.666 1.00 0.00 H new ATOM 0 HA ASN A 41 2.569 18.707 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.596 17.310 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.204 16.903 5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.536 20.834 6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.245 19.952 5.656 1.00 0.00 H new ATOM 677 N GLU A 42 1.205 15.762 2.903 1.00 0.00 N ATOM 678 CA GLU A 42 1.371 14.329 2.653 1.00 0.00 C ATOM 679 C GLU A 42 0.801 13.922 1.284 1.00 0.00 C ATOM 680 O GLU A 42 0.659 12.732 0.991 1.00 0.00 O ATOM 681 CB GLU A 42 0.703 13.544 3.793 1.00 0.00 C ATOM 682 CG GLU A 42 1.206 13.871 5.214 1.00 0.00 C ATOM 683 CD GLU A 42 2.485 13.133 5.605 1.00 0.00 C ATOM 684 OE1 GLU A 42 3.558 13.354 5.000 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.394 12.272 6.513 1.00 0.00 O ATOM 0 H GLU A 42 0.230 16.048 2.987 1.00 0.00 H new ATOM 0 HA GLU A 42 2.435 14.094 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.371 13.728 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.850 12.479 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.381 14.944 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.423 13.625 5.931 1.00 0.00 H new ATOM 692 N GLY A 43 0.444 14.891 0.437 1.00 0.00 N ATOM 693 CA GLY A 43 -0.232 14.642 -0.827 1.00 0.00 C ATOM 694 C GLY A 43 0.612 13.845 -1.828 1.00 0.00 C ATOM 695 O GLY A 43 0.035 13.206 -2.711 1.00 0.00 O ATOM 0 H GLY A 43 0.621 15.879 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.158 14.101 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.508 15.596 -1.276 1.00 0.00 H new ATOM 699 N GLU A 44 1.947 13.812 -1.694 1.00 0.00 N ATOM 700 CA GLU A 44 2.811 12.981 -2.500 1.00 0.00 C ATOM 701 C GLU A 44 3.094 11.641 -1.800 1.00 0.00 C ATOM 702 O GLU A 44 3.188 10.618 -2.479 1.00 0.00 O ATOM 703 CB GLU A 44 4.062 13.790 -2.865 1.00 0.00 C ATOM 704 CG GLU A 44 4.841 13.053 -3.953 1.00 0.00 C ATOM 705 CD GLU A 44 5.518 13.932 -5.016 1.00 0.00 C ATOM 706 OE1 GLU A 44 5.895 15.100 -4.761 1.00 0.00 O ATOM 707 OE2 GLU A 44 5.725 13.426 -6.147 1.00 0.00 O ATOM 0 H GLU A 44 2.450 14.376 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 44 2.326 12.702 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.778 14.783 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.689 13.929 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.607 12.444 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.160 12.368 -4.458 1.00 0.00 H new ATOM 714 N LYS A 45 3.076 11.578 -0.458 1.00 0.00 N ATOM 715 CA LYS A 45 3.029 10.304 0.265 1.00 0.00 C ATOM 716 C LYS A 45 1.819 9.480 -0.175 1.00 0.00 C ATOM 717 O LYS A 45 1.899 8.252 -0.204 1.00 0.00 O ATOM 718 CB LYS A 45 2.995 10.545 1.783 1.00 0.00 C ATOM 719 CG LYS A 45 3.353 9.258 2.545 1.00 0.00 C ATOM 720 CD LYS A 45 3.103 9.351 4.056 1.00 0.00 C ATOM 721 CE LYS A 45 4.120 10.299 4.696 1.00 0.00 C ATOM 722 NZ LYS A 45 4.151 10.257 6.170 1.00 0.00 N ATOM 0 H LYS A 45 3.093 12.400 0.146 1.00 0.00 H new ATOM 0 HA LYS A 45 3.932 9.742 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.696 11.337 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.003 10.886 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.771 8.431 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.403 9.023 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.091 9.709 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.181 8.362 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.113 10.056 4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.898 11.318 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.127 10.399 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.543 11.009 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.805 9.333 6.498 1.00 0.00 H new ATOM 736 N PHE A 46 0.718 10.135 -0.555 1.00 0.00 N ATOM 737 CA PHE A 46 -0.432 9.480 -1.171 1.00 0.00 C ATOM 738 C PHE A 46 0.008 8.601 -2.343 1.00 0.00 C ATOM 739 O PHE A 46 -0.438 7.462 -2.471 1.00 0.00 O ATOM 740 CB PHE A 46 -1.454 10.511 -1.667 1.00 0.00 C ATOM 741 CG PHE A 46 -2.886 9.999 -1.678 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.264 8.932 -2.517 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.853 10.586 -0.840 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.588 8.458 -2.519 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.172 10.096 -0.818 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.541 9.037 -1.664 1.00 0.00 C ATOM 0 H PHE A 46 0.602 11.142 -0.441 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.899 8.856 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.399 11.397 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.182 10.823 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.531 8.474 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.580 11.419 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.872 7.650 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.900 10.534 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.556 8.668 -1.657 1.00 0.00 H new ATOM 756 N LYS A 47 0.868 9.122 -3.215 1.00 0.00 N ATOM 757 CA LYS A 47 1.314 8.399 -4.403 1.00 0.00 C ATOM 758 C LYS A 47 2.032 7.100 -4.007 1.00 0.00 C ATOM 759 O LYS A 47 1.829 6.073 -4.652 1.00 0.00 O ATOM 760 CB LYS A 47 2.164 9.310 -5.313 1.00 0.00 C ATOM 761 CG LYS A 47 1.414 10.598 -5.717 1.00 0.00 C ATOM 762 CD LYS A 47 2.181 11.455 -6.734 1.00 0.00 C ATOM 763 CE LYS A 47 1.869 11.046 -8.177 1.00 0.00 C ATOM 764 NZ LYS A 47 0.596 11.612 -8.677 1.00 0.00 N ATOM 0 H LYS A 47 1.274 10.053 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 47 0.444 8.106 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.087 9.576 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.448 8.761 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.445 10.329 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.221 11.193 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.925 12.505 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.252 11.361 -6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.683 11.370 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.826 9.959 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.439 11.301 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.189 11.283 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.642 12.651 -8.647 1.00 0.00 H new ATOM 778 N GLN A 48 2.782 7.087 -2.898 1.00 0.00 N ATOM 779 CA GLN A 48 3.355 5.858 -2.349 1.00 0.00 C ATOM 780 C GLN A 48 2.278 4.856 -1.918 1.00 0.00 C ATOM 781 O GLN A 48 2.502 3.652 -2.069 1.00 0.00 O ATOM 782 CB GLN A 48 4.305 6.168 -1.173 1.00 0.00 C ATOM 783 CG GLN A 48 5.766 6.286 -1.613 1.00 0.00 C ATOM 784 CD GLN A 48 6.411 4.920 -1.848 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.049 4.189 -2.768 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.368 4.535 -1.021 1.00 0.00 N ATOM 0 H GLN A 48 3.006 7.925 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 48 3.929 5.393 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.996 7.099 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.217 5.382 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.821 6.874 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.330 6.826 -0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.662 5.148 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.812 3.625 -1.143 1.00 0.00 H new ATOM 795 N ILE A 49 1.116 5.313 -1.424 1.00 0.00 N ATOM 796 CA ILE A 49 0.010 4.420 -1.075 1.00 0.00 C ATOM 797 C ILE A 49 -0.386 3.670 -2.343 1.00 0.00 C ATOM 798 O ILE A 49 -0.513 2.447 -2.328 1.00 0.00 O ATOM 799 CB ILE A 49 -1.210 5.159 -0.462 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.794 6.196 0.593 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.195 4.132 0.133 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.964 6.897 1.285 1.00 0.00 C ATOM 0 H ILE A 49 0.922 6.301 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 49 0.344 3.734 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.704 5.711 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.183 5.702 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.165 6.949 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.050 4.654 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.538 3.459 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.694 3.556 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.581 7.612 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.564 7.423 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.582 6.157 1.793 1.00 0.00 H new ATOM 814 N SER A 50 -0.589 4.404 -3.439 1.00 0.00 N ATOM 815 CA SER A 50 -1.077 3.817 -4.671 1.00 0.00 C ATOM 816 C SER A 50 -0.016 2.906 -5.303 1.00 0.00 C ATOM 817 O SER A 50 -0.383 1.825 -5.752 1.00 0.00 O ATOM 818 CB SER A 50 -1.585 4.892 -5.611 1.00 0.00 C ATOM 819 OG SER A 50 -2.712 4.430 -6.341 1.00 0.00 O ATOM 0 H SER A 50 -0.420 5.409 -3.490 1.00 0.00 H new ATOM 0 HA SER A 50 -1.930 3.176 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.854 5.782 -5.042 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.793 5.182 -6.301 1.00 0.00 H new ATOM 0 HG SER A 50 -3.026 5.139 -6.941 1.00 0.00 H new ATOM 825 N GLN A 51 1.279 3.259 -5.264 1.00 0.00 N ATOM 826 CA GLN A 51 2.351 2.409 -5.769 1.00 0.00 C ATOM 827 C GLN A 51 2.291 1.045 -5.092 1.00 0.00 C ATOM 828 O GLN A 51 2.283 0.013 -5.762 1.00 0.00 O ATOM 829 CB GLN A 51 3.727 3.069 -5.535 1.00 0.00 C ATOM 830 CG GLN A 51 4.909 2.190 -5.963 1.00 0.00 C ATOM 831 CD GLN A 51 4.848 1.773 -7.430 1.00 0.00 C ATOM 832 OE1 GLN A 51 5.236 2.527 -8.313 1.00 0.00 O ATOM 833 NE2 GLN A 51 4.331 0.596 -7.737 1.00 0.00 N ATOM 0 H GLN A 51 1.605 4.146 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 51 2.218 2.278 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.767 4.010 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.829 3.312 -4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.839 2.730 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.934 1.297 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.009 -0.028 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.254 0.312 -8.714 1.00 0.00 H new ATOM 842 N ALA A 52 2.299 1.038 -3.758 1.00 0.00 N ATOM 843 CA ALA A 52 2.344 -0.203 -3.013 1.00 0.00 C ATOM 844 C ALA A 52 1.048 -0.988 -3.214 1.00 0.00 C ATOM 845 O ALA A 52 1.082 -2.195 -3.428 1.00 0.00 O ATOM 846 CB ALA A 52 2.624 0.114 -1.541 1.00 0.00 C ATOM 0 H ALA A 52 2.275 1.879 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 52 3.150 -0.840 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.660 -0.814 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.580 0.630 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.831 0.751 -1.149 1.00 0.00 H new ATOM 852 N TYR A 53 -0.095 -0.307 -3.197 1.00 0.00 N ATOM 853 CA TYR A 53 -1.385 -0.919 -3.454 1.00 0.00 C ATOM 854 C TYR A 53 -1.470 -1.519 -4.866 1.00 0.00 C ATOM 855 O TYR A 53 -2.177 -2.515 -5.029 1.00 0.00 O ATOM 856 CB TYR A 53 -2.465 0.139 -3.218 1.00 0.00 C ATOM 857 CG TYR A 53 -3.879 -0.342 -3.423 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.577 -0.985 -2.382 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.486 -0.153 -4.677 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.908 -1.389 -2.583 1.00 0.00 C ATOM 861 CE2 TYR A 53 -5.812 -0.554 -4.882 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.535 -1.158 -3.830 1.00 0.00 C ATOM 863 OH TYR A 53 -7.816 -1.557 -4.040 1.00 0.00 O ATOM 0 H TYR A 53 -0.147 0.693 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.533 -1.757 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.368 0.515 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.282 0.980 -3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.092 -1.167 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.929 0.302 -5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.452 -1.875 -1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.281 -0.402 -5.843 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.088 -1.318 -4.951 1.00 0.00 H new ATOM 873 N GLU A 54 -0.793 -0.943 -5.869 1.00 0.00 N ATOM 874 CA GLU A 54 -0.993 -1.326 -7.268 1.00 0.00 C ATOM 875 C GLU A 54 -0.458 -2.733 -7.501 1.00 0.00 C ATOM 876 O GLU A 54 -1.117 -3.564 -8.120 1.00 0.00 O ATOM 877 CB GLU A 54 -0.361 -0.336 -8.274 1.00 0.00 C ATOM 878 CG GLU A 54 -0.429 -0.972 -9.679 1.00 0.00 C ATOM 879 CD GLU A 54 -0.164 -0.087 -10.892 1.00 0.00 C ATOM 880 OE1 GLU A 54 -1.000 0.783 -11.227 1.00 0.00 O ATOM 881 OE2 GLU A 54 0.767 -0.443 -11.646 1.00 0.00 O ATOM 0 H GLU A 54 -0.100 -0.207 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.067 -1.300 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.895 0.614 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.673 -0.124 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.286 -1.794 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.421 -1.409 -9.798 1.00 0.00 H new ATOM 888 N VAL A 55 0.751 -3.028 -7.036 1.00 0.00 N ATOM 889 CA VAL A 55 1.377 -4.329 -7.287 1.00 0.00 C ATOM 890 C VAL A 55 0.508 -5.455 -6.704 1.00 0.00 C ATOM 891 O VAL A 55 0.523 -6.582 -7.190 1.00 0.00 O ATOM 892 CB VAL A 55 2.818 -4.315 -6.742 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.593 -5.578 -7.147 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.571 -3.088 -7.292 1.00 0.00 C ATOM 0 H VAL A 55 1.320 -2.387 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 55 1.445 -4.524 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 55 2.753 -4.276 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.604 -5.529 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.086 -6.458 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.639 -5.644 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.590 -3.082 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.598 -3.135 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.059 -2.177 -6.981 1.00 0.00 H new ATOM 904 N LEU A 56 -0.319 -5.122 -5.715 1.00 0.00 N ATOM 905 CA LEU A 56 -1.231 -6.017 -5.025 1.00 0.00 C ATOM 906 C LEU A 56 -2.646 -5.979 -5.612 1.00 0.00 C ATOM 907 O LEU A 56 -3.450 -6.843 -5.263 1.00 0.00 O ATOM 908 CB LEU A 56 -1.304 -5.612 -3.545 1.00 0.00 C ATOM 909 CG LEU A 56 0.063 -5.367 -2.884 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.133 -4.621 -1.576 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.852 -6.653 -2.658 1.00 0.00 C ATOM 0 H LEU A 56 -0.370 -4.168 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.847 -7.030 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.903 -4.706 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.826 -6.393 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 56 0.656 -4.762 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.836 -4.447 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.618 -3.665 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.758 -5.215 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.807 -6.416 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.284 -7.319 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.029 -7.144 -3.615 1.00 0.00 H new ATOM 923 N SER A 57 -3.001 -5.005 -6.456 1.00 0.00 N ATOM 924 CA SER A 57 -4.368 -4.857 -6.961 1.00 0.00 C ATOM 925 C SER A 57 -4.660 -5.794 -8.140 1.00 0.00 C ATOM 926 O SER A 57 -5.738 -5.718 -8.732 1.00 0.00 O ATOM 927 CB SER A 57 -4.680 -3.383 -7.263 1.00 0.00 C ATOM 928 OG SER A 57 -3.899 -2.840 -8.308 1.00 0.00 O ATOM 0 H SER A 57 -2.352 -4.301 -6.806 1.00 0.00 H new ATOM 0 HA SER A 57 -5.053 -5.171 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.734 -3.290 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.521 -2.795 -6.359 1.00 0.00 H new ATOM 0 HG SER A 57 -2.968 -3.128 -8.204 1.00 0.00 H new ATOM 934 N ASP A 58 -3.722 -6.676 -8.496 1.00 0.00 N ATOM 935 CA ASP A 58 -3.913 -7.677 -9.535 1.00 0.00 C ATOM 936 C ASP A 58 -3.294 -8.987 -9.098 1.00 0.00 C ATOM 937 O ASP A 58 -2.230 -8.974 -8.477 1.00 0.00 O ATOM 938 CB ASP A 58 -3.210 -7.252 -10.814 1.00 0.00 C ATOM 939 CG ASP A 58 -3.767 -8.062 -11.970 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.939 -7.829 -12.345 1.00 0.00 O ATOM 941 OD2 ASP A 58 -3.008 -8.924 -12.460 1.00 0.00 O ATOM 0 H ASP A 58 -2.799 -6.711 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.984 -7.786 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.361 -6.187 -10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.135 -7.411 -10.725 1.00 0.00 H new ATOM 946 N ALA A 59 -3.914 -10.109 -9.461 1.00 0.00 N ATOM 947 CA ALA A 59 -3.418 -11.412 -9.070 1.00 0.00 C ATOM 948 C ALA A 59 -2.077 -11.739 -9.736 1.00 0.00 C ATOM 949 O ALA A 59 -1.229 -12.340 -9.075 1.00 0.00 O ATOM 950 CB ALA A 59 -4.468 -12.480 -9.389 1.00 0.00 C ATOM 0 H ALA A 59 -4.762 -10.133 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.238 -11.399 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.092 -13.460 -9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.385 -12.263 -8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.675 -12.478 -10.459 1.00 0.00 H new ATOM 956 N LYS A 60 -1.841 -11.358 -11.002 1.00 0.00 N ATOM 957 CA LYS A 60 -0.588 -11.653 -11.676 1.00 0.00 C ATOM 958 C LYS A 60 0.539 -10.811 -11.093 1.00 0.00 C ATOM 959 O LYS A 60 1.572 -11.374 -10.721 1.00 0.00 O ATOM 960 CB LYS A 60 -0.700 -11.334 -13.163 1.00 0.00 C ATOM 961 CG LYS A 60 -1.218 -12.447 -14.084 1.00 0.00 C ATOM 962 CD LYS A 60 -0.568 -12.206 -15.455 1.00 0.00 C ATOM 963 CE LYS A 60 -1.399 -12.680 -16.647 1.00 0.00 C ATOM 964 NZ LYS A 60 -1.130 -11.795 -17.800 1.00 0.00 N ATOM 0 H LYS A 60 -2.512 -10.843 -11.573 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.373 -12.712 -11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.356 -10.471 -13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.285 -11.033 -13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.952 -13.430 -13.695 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.305 -12.417 -14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.372 -11.140 -15.567 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.397 -12.711 -15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.147 -13.711 -16.896 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.460 -12.662 -16.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.691 -12.109 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.391 -10.818 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.119 -11.834 -18.039 1.00 0.00 H new ATOM 978 N LYS A 61 0.351 -9.481 -11.013 1.00 0.00 N ATOM 979 CA LYS A 61 1.360 -8.599 -10.419 1.00 0.00 C ATOM 980 C LYS A 61 1.687 -9.092 -9.018 1.00 0.00 C ATOM 981 O LYS A 61 2.870 -9.169 -8.658 1.00 0.00 O ATOM 982 CB LYS A 61 0.916 -7.125 -10.371 1.00 0.00 C ATOM 983 CG LYS A 61 1.037 -6.396 -11.721 1.00 0.00 C ATOM 984 CD LYS A 61 1.963 -5.166 -11.632 1.00 0.00 C ATOM 985 CE LYS A 61 1.292 -3.879 -11.145 1.00 0.00 C ATOM 986 NZ LYS A 61 0.483 -3.209 -12.184 1.00 0.00 N ATOM 0 H LYS A 61 -0.484 -9.001 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 61 2.245 -8.635 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.120 -7.078 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.516 -6.598 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.422 -7.086 -12.472 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.048 -6.082 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.790 -5.402 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.393 -4.983 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.654 -4.111 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.059 -3.190 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.604 -2.179 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.794 -3.526 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.520 -3.450 -12.052 1.00 0.00 H new ATOM 1000 N ARG A 62 0.652 -9.435 -8.243 1.00 0.00 N ATOM 1001 CA ARG A 62 0.885 -9.932 -6.899 1.00 0.00 C ATOM 1002 C ARG A 62 1.657 -11.259 -6.872 1.00 0.00 C ATOM 1003 O ARG A 62 2.486 -11.429 -5.985 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.417 -9.984 -6.084 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.031 -10.283 -4.630 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.034 -9.866 -3.553 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.664 -10.509 -2.287 1.00 0.00 N ATOM 1008 CZ ARG A 62 -0.693 -11.825 -2.062 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -1.448 -12.642 -2.794 1.00 0.00 N ATOM 1010 NH2 ARG A 62 0.062 -12.312 -1.098 1.00 0.00 N ATOM 0 H ARG A 62 -0.328 -9.377 -8.521 1.00 0.00 H new ATOM 0 HA ARG A 62 1.540 -9.211 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.952 -9.037 -6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.083 -10.755 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.141 -11.355 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.918 -9.788 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.036 -8.782 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.043 -10.158 -3.844 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.362 -9.906 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.023 -12.266 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.451 -13.643 -2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.649 -11.687 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.059 -13.313 -0.905 1.00 0.00 H new ATOM 1024 N GLU A 63 1.418 -12.216 -7.769 1.00 0.00 N ATOM 1025 CA GLU A 63 2.085 -13.521 -7.686 1.00 0.00 C ATOM 1026 C GLU A 63 3.589 -13.413 -7.854 1.00 0.00 C ATOM 1027 O GLU A 63 4.317 -14.100 -7.133 1.00 0.00 O ATOM 1028 CB GLU A 63 1.553 -14.519 -8.716 1.00 0.00 C ATOM 1029 CG GLU A 63 0.311 -15.221 -8.171 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.328 -16.236 -9.113 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.197 -16.492 -10.216 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -1.391 -16.782 -8.728 1.00 0.00 O ATOM 0 H GLU A 63 0.775 -12.117 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 63 1.860 -13.888 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.310 -14.002 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.322 -15.254 -8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.577 -15.728 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.433 -14.465 -7.919 1.00 0.00 H new ATOM 1039 N LEU A 64 4.059 -12.591 -8.797 1.00 0.00 N ATOM 1040 CA LEU A 64 5.497 -12.428 -8.973 1.00 0.00 C ATOM 1041 C LEU A 64 6.068 -11.744 -7.735 1.00 0.00 C ATOM 1042 O LEU A 64 7.123 -12.134 -7.257 1.00 0.00 O ATOM 1043 CB LEU A 64 5.852 -11.612 -10.230 1.00 0.00 C ATOM 1044 CG LEU A 64 5.967 -12.410 -11.541 1.00 0.00 C ATOM 1045 CD1 LEU A 64 7.108 -13.433 -11.518 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.653 -13.105 -11.890 1.00 0.00 C ATOM 0 H LEU A 64 3.479 -12.043 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 64 5.933 -13.418 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.095 -10.839 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.799 -11.103 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 64 6.198 -11.678 -12.315 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.139 -13.965 -12.469 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.055 -12.918 -11.359 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.942 -14.145 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.771 -13.659 -12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.382 -13.794 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.867 -12.359 -12.008 1.00 0.00 H new ATOM 1058 N TYR A 65 5.370 -10.744 -7.200 1.00 0.00 N ATOM 1059 CA TYR A 65 5.716 -10.043 -5.972 1.00 0.00 C ATOM 1060 C TYR A 65 5.804 -10.959 -4.758 1.00 0.00 C ATOM 1061 O TYR A 65 6.630 -10.718 -3.875 1.00 0.00 O ATOM 1062 CB TYR A 65 4.715 -8.908 -5.776 1.00 0.00 C ATOM 1063 CG TYR A 65 4.670 -8.364 -4.373 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.647 -7.453 -3.946 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.683 -8.819 -3.482 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.591 -6.943 -2.640 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.613 -8.303 -2.179 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.559 -7.338 -1.760 1.00 0.00 C ATOM 1069 OH TYR A 65 4.462 -6.744 -0.541 1.00 0.00 O ATOM 0 H TYR A 65 4.516 -10.389 -7.629 1.00 0.00 H new ATOM 0 HA TYR A 65 6.722 -9.635 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.963 -8.097 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.721 -9.263 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.436 -7.147 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.975 -9.569 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.342 -6.243 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.843 -8.640 -1.501 1.00 0.00 H new ATOM 0 HH TYR A 65 4.019 -7.353 0.085 1.00 0.00 H new ATOM 1079 N ASP A 66 5.001 -12.018 -4.718 1.00 0.00 N ATOM 1080 CA ASP A 66 5.052 -12.980 -3.632 1.00 0.00 C ATOM 1081 C ASP A 66 6.435 -13.621 -3.537 1.00 0.00 C ATOM 1082 O ASP A 66 6.963 -13.764 -2.435 1.00 0.00 O ATOM 1083 CB ASP A 66 3.961 -14.034 -3.821 1.00 0.00 C ATOM 1084 CG ASP A 66 3.648 -14.782 -2.526 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.158 -14.150 -1.561 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.764 -16.033 -2.530 1.00 0.00 O ATOM 0 H ASP A 66 4.304 -12.229 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 66 4.870 -12.461 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.054 -13.554 -4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.276 -14.747 -4.583 1.00 0.00 H new ATOM 1091 N LYS A 67 7.052 -13.928 -4.683 1.00 0.00 N ATOM 1092 CA LYS A 67 8.338 -14.618 -4.788 1.00 0.00 C ATOM 1093 C LYS A 67 9.186 -14.120 -5.973 1.00 0.00 C ATOM 1094 O LYS A 67 9.501 -14.895 -6.876 1.00 0.00 O ATOM 1095 CB LYS A 67 8.100 -16.134 -4.824 1.00 0.00 C ATOM 1096 CG LYS A 67 7.223 -16.567 -6.007 1.00 0.00 C ATOM 1097 CD LYS A 67 7.880 -17.654 -6.875 1.00 0.00 C ATOM 1098 CE LYS A 67 7.440 -17.538 -8.336 1.00 0.00 C ATOM 1099 NZ LYS A 67 6.057 -17.983 -8.598 1.00 0.00 N ATOM 0 H LYS A 67 6.655 -13.694 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 67 8.930 -14.382 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.060 -16.647 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.627 -16.446 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.270 -16.938 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.004 -15.698 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.965 -17.567 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.616 -18.639 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.539 -16.499 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.120 -18.124 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.842 -17.871 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.958 -18.983 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.395 -17.409 -8.038 1.00 0.00 H new ATOM 1113 N GLY A 68 9.591 -12.853 -6.001 1.00 0.00 N ATOM 1114 CA GLY A 68 10.499 -12.346 -7.030 1.00 0.00 C ATOM 1115 C GLY A 68 10.433 -10.834 -7.227 1.00 0.00 C ATOM 1116 O GLY A 68 11.477 -10.204 -7.394 1.00 0.00 O ATOM 0 H GLY A 68 9.303 -12.153 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.520 -12.624 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.269 -12.836 -7.976 1.00 0.00 H new ATOM 1120 N GLY A 69 9.240 -10.226 -7.251 1.00 0.00 N ATOM 1121 CA GLY A 69 9.060 -8.778 -7.106 1.00 0.00 C ATOM 1122 C GLY A 69 9.423 -7.946 -8.331 1.00 0.00 C ATOM 1123 O GLY A 69 8.864 -6.864 -8.506 1.00 0.00 O ATOM 0 H GLY A 69 8.363 -10.733 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.018 -8.583 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.663 -8.437 -6.265 1.00 0.00 H new ATOM 1127 N GLU A 70 10.281 -8.441 -9.217 1.00 0.00 N ATOM 1128 CA GLU A 70 10.958 -7.665 -10.243 1.00 0.00 C ATOM 1129 C GLU A 70 11.181 -8.506 -11.495 1.00 0.00 C ATOM 1130 O GLU A 70 11.893 -8.082 -12.402 1.00 0.00 O ATOM 1131 CB GLU A 70 12.280 -7.129 -9.679 1.00 0.00 C ATOM 1132 CG GLU A 70 12.626 -5.751 -10.263 1.00 0.00 C ATOM 1133 CD GLU A 70 14.078 -5.377 -9.983 1.00 0.00 C ATOM 1134 OE1 GLU A 70 14.412 -5.162 -8.791 1.00 0.00 O ATOM 1135 OE2 GLU A 70 14.891 -5.356 -10.935 1.00 0.00 O ATOM 0 H GLU A 70 10.531 -9.430 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 70 10.335 -6.819 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.211 -7.058 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.083 -7.832 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.451 -5.756 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.965 -4.997 -9.836 1.00 0.00 H new ATOM 1142 N GLN A 71 10.503 -9.656 -11.559 1.00 0.00 N ATOM 1143 CA GLN A 71 10.539 -10.652 -12.628 1.00 0.00 C ATOM 1144 C GLN A 71 11.843 -11.431 -12.528 1.00 0.00 C ATOM 1145 O GLN A 71 12.451 -11.429 -11.441 1.00 0.00 O ATOM 1146 CB GLN A 71 10.379 -9.997 -14.017 1.00 0.00 C ATOM 1147 CG GLN A 71 9.264 -8.949 -14.100 1.00 0.00 C ATOM 1148 CD GLN A 71 9.574 -7.901 -15.160 1.00 0.00 C ATOM 1149 OE1 GLN A 71 9.843 -8.216 -16.313 1.00 0.00 O ATOM 1150 NE2 GLN A 71 9.443 -6.625 -14.837 1.00 0.00 N ATOM 0 H GLN A 71 9.869 -9.933 -10.809 1.00 0.00 H new ATOM 0 HA GLN A 71 9.699 -11.337 -12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.323 -9.528 -14.294 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.183 -10.777 -14.752 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.318 -9.438 -14.333 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.142 -8.465 -13.131 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.219 -6.362 -13.877 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.566 -5.904 -15.548 1.00 0.00 H new TER 1159 GLN A 71