USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1026 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 71 HIS : no HD1:sc= -14.9! C(o=-17!,f=-20!) USER MOD Set 1.2: A 82 CYS SG : rot 130:sc= -2.47 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0504 (180deg=-0.0985) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0631 (180deg=-0.00647) USER MOD Single : A 3 MET CE :methyl 165:sc= -0.0192 (180deg=-0.258) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 11 THR OG1 : rot -47:sc= 0.0822 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 14 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 23 ASN : amide:sc= -3.13 K(o=-3.1,f=-6.3!) USER MOD Single : A 35 ASN : amide:sc= -11.9! C(o=-12!,f=-11!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-1.5) USER MOD Single : A 43 SER OG : rot -160:sc= -0.244 USER MOD Single : A 45 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-5!) USER MOD Single : A 46 TYR OH : rot 130:sc= -0.157 USER MOD Single : A 48 SER OG : rot -5:sc= 1.99 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00387) USER MOD Single : A 56 SER OG : rot -160:sc= -0.537 USER MOD Single : A 57 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.0042) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 61 ASN : amide:sc= -9.83! C(o=-9.8!,f=-5.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -98:sc= -1.16! USER MOD Single : A 72 SER OG : rot -74:sc= -1.89 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0841 X(o=-0.084,f=-0.28) USER MOD Single : A 81 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 88 ASN : amide:sc= -8.77! C(o=-8.8!,f=-17!) USER MOD Single : A 89 TYR OH : rot 124:sc= -1.91! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 92:sc= 0.135 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 164:sc= 0 (180deg=-0.0645) USER MOD Single : A 110 ASN : amide:sc= -2.53 K(o=-2.5,f=-10!) USER MOD Single : A 115 SER OG : rot -62:sc= 1.21 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 CYS SG : rot -48:sc= -0.289 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.972 22.348 8.468 1.00 0.00 N ATOM 2 CA MET A 1 8.191 22.412 7.621 1.00 0.00 C ATOM 3 C MET A 1 8.566 21.030 7.092 1.00 0.00 C ATOM 4 O MET A 1 7.774 20.092 7.162 1.00 0.00 O ATOM 5 CB MET A 1 9.335 22.991 8.459 1.00 0.00 C ATOM 6 CG MET A 1 9.759 22.102 9.617 1.00 0.00 C ATOM 7 SD MET A 1 11.479 22.356 10.092 1.00 0.00 S ATOM 8 CE MET A 1 12.322 21.385 8.846 1.00 0.00 C ATOM 0 H1 MET A 1 6.204 22.879 8.011 1.00 0.00 H new ATOM 0 H2 MET A 1 6.684 21.356 8.587 1.00 0.00 H new ATOM 0 H3 MET A 1 7.174 22.764 9.399 1.00 0.00 H new ATOM 0 HA MET A 1 7.998 23.050 6.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.195 23.164 7.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.031 23.962 8.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.116 22.298 10.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.613 21.058 9.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.380 21.310 9.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.887 20.386 8.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.213 21.866 7.874 1.00 0.00 H new ATOM 18 N ALA A 2 9.780 20.913 6.559 1.00 0.00 N ATOM 19 CA ALA A 2 10.259 19.648 6.016 1.00 0.00 C ATOM 20 C ALA A 2 10.160 18.529 7.048 1.00 0.00 C ATOM 21 O ALA A 2 9.899 18.776 8.225 1.00 0.00 O ATOM 22 CB ALA A 2 11.693 19.793 5.528 1.00 0.00 C ATOM 0 H ALA A 2 10.449 21.680 6.492 1.00 0.00 H new ATOM 0 HA ALA A 2 9.623 19.382 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.038 18.841 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.737 20.554 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.332 20.088 6.360 1.00 0.00 H new ATOM 28 N MET A 3 10.370 17.297 6.596 1.00 0.00 N ATOM 29 CA MET A 3 10.303 16.135 7.475 1.00 0.00 C ATOM 30 C MET A 3 11.304 15.070 7.042 1.00 0.00 C ATOM 31 O MET A 3 11.080 14.351 6.068 1.00 0.00 O ATOM 32 CB MET A 3 8.888 15.548 7.480 1.00 0.00 C ATOM 33 CG MET A 3 8.156 15.696 6.154 1.00 0.00 C ATOM 34 SD MET A 3 6.841 16.928 6.215 1.00 0.00 S ATOM 35 CE MET A 3 5.513 15.968 6.939 1.00 0.00 C ATOM 0 H MET A 3 10.588 17.077 5.624 1.00 0.00 H new ATOM 0 HA MET A 3 10.556 16.461 8.484 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.945 14.490 7.737 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.306 16.035 8.262 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.871 15.972 5.379 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.732 14.733 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.727 16.638 7.286 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.106 15.288 6.191 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.897 15.392 7.781 1.00 0.00 H new ATOM 45 N ALA A 4 12.410 14.974 7.772 1.00 0.00 N ATOM 46 CA ALA A 4 13.449 13.998 7.465 1.00 0.00 C ATOM 47 C ALA A 4 12.984 12.579 7.776 1.00 0.00 C ATOM 48 O ALA A 4 12.537 12.291 8.887 1.00 0.00 O ATOM 49 CB ALA A 4 14.718 14.321 8.238 1.00 0.00 C ATOM 0 H ALA A 4 12.610 15.561 8.582 1.00 0.00 H new ATOM 0 HA ALA A 4 13.661 14.054 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 4 15.486 13.585 8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 4 15.070 15.315 7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 4 14.509 14.295 9.307 1.00 0.00 H new ATOM 55 N ARG A 5 13.095 11.695 6.789 1.00 0.00 N ATOM 56 CA ARG A 5 12.690 10.302 6.956 1.00 0.00 C ATOM 57 C ARG A 5 12.949 9.507 5.678 1.00 0.00 C ATOM 58 O ARG A 5 13.565 10.010 4.739 1.00 0.00 O ATOM 59 CB ARG A 5 11.212 10.220 7.342 1.00 0.00 C ATOM 60 CG ARG A 5 10.308 11.086 6.483 1.00 0.00 C ATOM 61 CD ARG A 5 8.937 10.454 6.310 1.00 0.00 C ATOM 62 NE ARG A 5 8.094 11.219 5.395 1.00 0.00 N ATOM 63 CZ ARG A 5 7.398 12.295 5.754 1.00 0.00 C ATOM 64 NH1 ARG A 5 7.440 12.736 7.006 1.00 0.00 N ATOM 65 NH2 ARG A 5 6.658 12.932 4.857 1.00 0.00 N ATOM 0 H ARG A 5 13.462 11.918 5.864 1.00 0.00 H new ATOM 0 HA ARG A 5 13.286 9.866 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.884 9.183 7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.101 10.517 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.202 12.070 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.767 11.237 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.051 9.437 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.446 10.381 7.280 1.00 0.00 H new ATOM 0 HE ARG A 5 8.035 10.911 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.008 12.249 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.904 13.561 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.623 12.597 3.894 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.124 13.757 5.130 1.00 0.00 H new ATOM 79 N SER A 6 12.489 8.259 5.653 1.00 0.00 N ATOM 80 CA SER A 6 12.688 7.395 4.494 1.00 0.00 C ATOM 81 C SER A 6 11.586 7.585 3.450 1.00 0.00 C ATOM 82 O SER A 6 11.779 8.281 2.453 1.00 0.00 O ATOM 83 CB SER A 6 12.745 5.930 4.932 1.00 0.00 C ATOM 84 OG SER A 6 13.985 5.630 5.549 1.00 0.00 O ATOM 0 H SER A 6 11.977 7.824 6.421 1.00 0.00 H new ATOM 0 HA SER A 6 13.636 7.674 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.930 5.723 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.600 5.283 4.067 1.00 0.00 H new ATOM 0 HG SER A 6 13.996 4.689 5.821 1.00 0.00 H new ATOM 90 N ILE A 7 10.438 6.950 3.675 1.00 0.00 N ATOM 91 CA ILE A 7 9.317 7.039 2.743 1.00 0.00 C ATOM 92 C ILE A 7 8.596 8.380 2.849 1.00 0.00 C ATOM 93 O ILE A 7 8.910 9.199 3.712 1.00 0.00 O ATOM 94 CB ILE A 7 8.306 5.899 2.981 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.646 6.039 4.355 1.00 0.00 C ATOM 96 CG2 ILE A 7 8.997 4.548 2.858 1.00 0.00 C ATOM 97 CD1 ILE A 7 6.454 6.971 4.363 1.00 0.00 C ATOM 0 H ILE A 7 10.260 6.369 4.494 1.00 0.00 H new ATOM 0 HA ILE A 7 9.736 6.948 1.741 1.00 0.00 H new ATOM 0 HB ILE A 7 7.528 5.964 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.329 5.054 4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.385 6.402 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.272 3.752 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.421 4.446 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.794 4.478 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.038 7.021 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.769 7.967 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.696 6.598 3.675 1.00 0.00 H new ATOM 109 N SER A 8 7.621 8.594 1.966 1.00 0.00 N ATOM 110 CA SER A 8 6.848 9.836 1.962 1.00 0.00 C ATOM 111 C SER A 8 5.359 9.543 2.122 1.00 0.00 C ATOM 112 O SER A 8 4.894 8.470 1.756 1.00 0.00 O ATOM 113 CB SER A 8 7.094 10.614 0.668 1.00 0.00 C ATOM 114 OG SER A 8 7.854 11.785 0.912 1.00 0.00 O ATOM 0 H SER A 8 7.348 7.925 1.246 1.00 0.00 H new ATOM 0 HA SER A 8 7.175 10.444 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.618 9.980 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.140 10.884 0.216 1.00 0.00 H new ATOM 0 HG SER A 8 7.999 12.263 0.069 1.00 0.00 H new ATOM 120 N TYR A 9 4.616 10.494 2.678 1.00 0.00 N ATOM 121 CA TYR A 9 3.181 10.311 2.886 1.00 0.00 C ATOM 122 C TYR A 9 2.356 11.025 1.817 1.00 0.00 C ATOM 123 O TYR A 9 2.785 12.033 1.255 1.00 0.00 O ATOM 124 CB TYR A 9 2.774 10.819 4.271 1.00 0.00 C ATOM 125 CG TYR A 9 3.771 10.488 5.358 1.00 0.00 C ATOM 126 CD1 TYR A 9 4.302 9.210 5.476 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.181 11.454 6.266 1.00 0.00 C ATOM 128 CE1 TYR A 9 5.213 8.904 6.467 1.00 0.00 C ATOM 129 CE2 TYR A 9 5.093 11.158 7.259 1.00 0.00 C ATOM 130 CZ TYR A 9 5.606 9.882 7.356 1.00 0.00 C ATOM 131 OH TYR A 9 6.515 9.582 8.346 1.00 0.00 O ATOM 0 H TYR A 9 4.979 11.394 2.991 1.00 0.00 H new ATOM 0 HA TYR A 9 2.978 9.243 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.643 11.900 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.807 10.391 4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.997 8.442 4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.780 12.454 6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.615 7.905 6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.403 11.922 7.956 1.00 0.00 H new ATOM 0 HH TYR A 9 6.686 10.381 8.886 1.00 0.00 H new ATOM 141 N ILE A 10 1.163 10.496 1.556 1.00 0.00 N ATOM 142 CA ILE A 10 0.256 11.078 0.570 1.00 0.00 C ATOM 143 C ILE A 10 -1.180 11.057 1.088 1.00 0.00 C ATOM 144 O ILE A 10 -1.622 10.069 1.673 1.00 0.00 O ATOM 145 CB ILE A 10 0.316 10.328 -0.775 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.141 8.823 -0.558 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.630 10.621 -1.485 1.00 0.00 C ATOM 148 CD1 ILE A 10 -0.883 8.197 -1.481 1.00 0.00 C ATOM 0 H ILE A 10 0.801 9.661 2.016 1.00 0.00 H new ATOM 0 HA ILE A 10 0.577 12.107 0.408 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.501 10.678 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.101 8.328 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.155 8.645 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.659 10.085 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.712 11.692 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.462 10.297 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.956 7.130 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.854 8.666 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.577 8.344 -2.517 1.00 0.00 H new ATOM 160 N THR A 11 -1.902 12.155 0.881 1.00 0.00 N ATOM 161 CA THR A 11 -3.285 12.256 1.342 1.00 0.00 C ATOM 162 C THR A 11 -4.270 11.866 0.245 1.00 0.00 C ATOM 163 O THR A 11 -3.893 11.712 -0.917 1.00 0.00 O ATOM 164 CB THR A 11 -3.580 13.677 1.822 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.414 14.278 2.357 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.656 13.738 2.885 1.00 0.00 C ATOM 0 H THR A 11 -1.555 12.984 0.399 1.00 0.00 H new ATOM 0 HA THR A 11 -3.409 11.560 2.172 1.00 0.00 H new ATOM 0 HB THR A 11 -3.931 14.213 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.979 13.654 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.816 14.775 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.584 13.327 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.344 13.157 3.753 1.00 0.00 H new ATOM 174 N SER A 12 -5.540 11.723 0.618 1.00 0.00 N ATOM 175 CA SER A 12 -6.580 11.370 -0.341 1.00 0.00 C ATOM 176 C SER A 12 -6.679 12.448 -1.413 1.00 0.00 C ATOM 177 O SER A 12 -6.690 12.155 -2.608 1.00 0.00 O ATOM 178 CB SER A 12 -7.927 11.203 0.365 1.00 0.00 C ATOM 179 OG SER A 12 -8.032 9.923 0.964 1.00 0.00 O ATOM 0 H SER A 12 -5.871 11.846 1.575 1.00 0.00 H new ATOM 0 HA SER A 12 -6.318 10.422 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.041 11.975 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.737 11.340 -0.352 1.00 0.00 H new ATOM 0 HG SER A 12 -8.901 9.841 1.410 1.00 0.00 H new ATOM 185 N THR A 13 -6.723 13.699 -0.970 1.00 0.00 N ATOM 186 CA THR A 13 -6.790 14.832 -1.881 1.00 0.00 C ATOM 187 C THR A 13 -5.521 14.909 -2.706 1.00 0.00 C ATOM 188 O THR A 13 -5.556 15.261 -3.882 1.00 0.00 O ATOM 189 CB THR A 13 -6.996 16.140 -1.128 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.090 16.246 -0.044 1.00 0.00 O ATOM 191 CG2 THR A 13 -8.397 16.303 -0.578 1.00 0.00 C ATOM 0 H THR A 13 -6.713 13.953 0.018 1.00 0.00 H new ATOM 0 HA THR A 13 -7.646 14.682 -2.540 1.00 0.00 H new ATOM 0 HB THR A 13 -6.821 16.925 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.238 17.094 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.474 17.256 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.115 16.281 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.613 15.490 0.115 1.00 0.00 H new ATOM 199 N GLN A 14 -4.397 14.564 -2.083 1.00 0.00 N ATOM 200 CA GLN A 14 -3.115 14.584 -2.773 1.00 0.00 C ATOM 201 C GLN A 14 -3.197 13.687 -4.001 1.00 0.00 C ATOM 202 O GLN A 14 -2.491 13.895 -4.989 1.00 0.00 O ATOM 203 CB GLN A 14 -2.008 14.105 -1.829 1.00 0.00 C ATOM 204 CG GLN A 14 -1.620 15.131 -0.778 1.00 0.00 C ATOM 205 CD GLN A 14 -1.143 16.434 -1.386 1.00 0.00 C ATOM 206 OE1 GLN A 14 -0.222 16.452 -2.202 1.00 0.00 O ATOM 207 NE2 GLN A 14 -1.769 17.536 -0.990 1.00 0.00 N ATOM 0 H GLN A 14 -4.350 14.269 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.880 15.601 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.336 13.193 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.127 13.848 -2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.477 15.327 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.833 14.719 -0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.528 17.475 -0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.491 18.443 -1.365 1.00 0.00 H new ATOM 216 N LEU A 15 -4.102 12.717 -3.945 1.00 0.00 N ATOM 217 CA LEU A 15 -4.333 11.815 -5.060 1.00 0.00 C ATOM 218 C LEU A 15 -5.118 12.528 -6.164 1.00 0.00 C ATOM 219 O LEU A 15 -5.064 12.130 -7.328 1.00 0.00 O ATOM 220 CB LEU A 15 -5.089 10.569 -4.590 1.00 0.00 C ATOM 221 CG LEU A 15 -4.347 9.247 -4.789 1.00 0.00 C ATOM 222 CD1 LEU A 15 -3.412 8.979 -3.620 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.336 8.103 -4.955 1.00 0.00 C ATOM 0 H LEU A 15 -4.690 12.537 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.369 11.504 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.321 10.682 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.040 10.518 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.748 9.320 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.892 8.034 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.683 9.786 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.990 8.925 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.792 7.169 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.960 8.029 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.966 8.290 -5.824 1.00 0.00 H new ATOM 235 N LEU A 16 -5.863 13.577 -5.790 1.00 0.00 N ATOM 236 CA LEU A 16 -6.668 14.324 -6.755 1.00 0.00 C ATOM 237 C LEU A 16 -5.810 14.904 -7.883 1.00 0.00 C ATOM 238 O LEU A 16 -6.099 14.681 -9.058 1.00 0.00 O ATOM 239 CB LEU A 16 -7.439 15.444 -6.046 1.00 0.00 C ATOM 240 CG LEU A 16 -8.367 16.273 -6.940 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.569 17.291 -7.742 1.00 0.00 C ATOM 242 CD2 LEU A 16 -9.171 15.372 -7.866 1.00 0.00 C ATOM 0 H LEU A 16 -5.922 13.923 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.376 13.628 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.033 15.002 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.720 16.115 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.065 16.812 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.245 17.870 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.045 17.961 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.845 16.772 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.823 15.982 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.491 14.801 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.776 14.687 -7.272 1.00 0.00 H new ATOM 254 N PRO A 17 -4.736 15.647 -7.555 1.00 0.00 N ATOM 255 CA PRO A 17 -3.852 16.234 -8.569 1.00 0.00 C ATOM 256 C PRO A 17 -3.095 15.161 -9.343 1.00 0.00 C ATOM 257 O PRO A 17 -2.640 15.394 -10.462 1.00 0.00 O ATOM 258 CB PRO A 17 -2.883 17.094 -7.754 1.00 0.00 C ATOM 259 CG PRO A 17 -2.901 16.500 -6.389 1.00 0.00 C ATOM 260 CD PRO A 17 -4.293 15.971 -6.187 1.00 0.00 C ATOM 0 HA PRO A 17 -4.404 16.801 -9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.880 17.073 -8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.200 18.137 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.164 15.702 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.654 17.247 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.299 15.091 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.941 16.712 -5.720 1.00 0.00 H new ATOM 268 N LEU A 18 -2.967 13.986 -8.729 1.00 0.00 N ATOM 269 CA LEU A 18 -2.270 12.851 -9.338 1.00 0.00 C ATOM 270 C LEU A 18 -0.829 13.195 -9.722 1.00 0.00 C ATOM 271 O LEU A 18 -0.179 12.440 -10.445 1.00 0.00 O ATOM 272 CB LEU A 18 -3.053 12.326 -10.551 1.00 0.00 C ATOM 273 CG LEU A 18 -2.864 13.092 -11.867 1.00 0.00 C ATOM 274 CD1 LEU A 18 -2.576 12.130 -13.010 1.00 0.00 C ATOM 275 CD2 LEU A 18 -4.096 13.929 -12.179 1.00 0.00 C ATOM 0 H LEU A 18 -3.341 13.793 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.217 12.061 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.770 11.287 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.114 12.332 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.010 13.760 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.445 12.692 -13.935 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.666 11.570 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.410 11.437 -13.122 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.944 14.465 -13.116 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.965 13.277 -12.271 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.263 14.645 -11.374 1.00 0.00 H new ATOM 287 N HIS A 19 -0.326 14.322 -9.218 1.00 0.00 N ATOM 288 CA HIS A 19 1.046 14.753 -9.487 1.00 0.00 C ATOM 289 C HIS A 19 1.446 14.527 -10.945 1.00 0.00 C ATOM 290 O HIS A 19 2.617 14.289 -11.242 1.00 0.00 O ATOM 291 CB HIS A 19 2.012 14.003 -8.569 1.00 0.00 C ATOM 292 CG HIS A 19 2.323 14.734 -7.298 1.00 0.00 C ATOM 293 ND1 HIS A 19 3.592 14.809 -6.764 1.00 0.00 N ATOM 294 CD2 HIS A 19 1.520 15.423 -6.453 1.00 0.00 C ATOM 295 CE1 HIS A 19 3.556 15.509 -5.645 1.00 0.00 C ATOM 296 NE2 HIS A 19 2.310 15.894 -5.434 1.00 0.00 N ATOM 0 H HIS A 19 -0.852 14.957 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 19 1.097 15.824 -9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.585 13.030 -8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.941 13.817 -9.108 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.456 15.574 -6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.401 15.729 -5.010 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.987 16.451 -4.643 1.00 0.00 H new ATOM 305 N ARG A 20 0.477 14.594 -11.848 1.00 0.00 N ATOM 306 CA ARG A 20 0.751 14.387 -13.268 1.00 0.00 C ATOM 307 C ARG A 20 1.448 13.045 -13.481 1.00 0.00 C ATOM 308 O ARG A 20 2.587 12.992 -13.945 1.00 0.00 O ATOM 309 CB ARG A 20 1.618 15.526 -13.810 1.00 0.00 C ATOM 310 CG ARG A 20 1.865 15.449 -15.308 1.00 0.00 C ATOM 311 CD ARG A 20 0.604 15.754 -16.101 1.00 0.00 C ATOM 312 NE ARG A 20 0.766 16.923 -16.960 1.00 0.00 N ATOM 313 CZ ARG A 20 1.618 16.981 -17.981 1.00 0.00 C ATOM 314 NH1 ARG A 20 2.388 15.941 -18.272 1.00 0.00 N ATOM 315 NH2 ARG A 20 1.700 18.083 -18.713 1.00 0.00 N ATOM 0 H ARG A 20 -0.500 14.788 -11.627 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.195 14.379 -13.810 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.138 16.477 -13.579 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.577 15.518 -13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.649 16.154 -15.585 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.226 14.454 -15.567 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.342 14.890 -16.711 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.225 15.922 -15.413 1.00 0.00 H new ATOM 0 HE ARG A 20 0.192 17.744 -16.766 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.329 15.090 -17.712 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.039 15.992 -19.056 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.110 18.886 -18.494 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.353 18.128 -19.496 1.00 0.00 H new ATOM 329 N ARG A 21 0.753 11.971 -13.105 1.00 0.00 N ATOM 330 CA ARG A 21 1.271 10.602 -13.209 1.00 0.00 C ATOM 331 C ARG A 21 1.934 10.213 -11.893 1.00 0.00 C ATOM 332 O ARG A 21 3.143 10.370 -11.724 1.00 0.00 O ATOM 333 CB ARG A 21 2.262 10.451 -14.369 1.00 0.00 C ATOM 334 CG ARG A 21 2.545 9.005 -14.744 1.00 0.00 C ATOM 335 CD ARG A 21 1.315 8.326 -15.322 1.00 0.00 C ATOM 336 NE ARG A 21 0.882 8.946 -16.573 1.00 0.00 N ATOM 337 CZ ARG A 21 1.402 8.657 -17.765 1.00 0.00 C ATOM 338 NH1 ARG A 21 2.381 7.768 -17.874 1.00 0.00 N ATOM 339 NH2 ARG A 21 0.942 9.263 -18.852 1.00 0.00 N ATOM 0 H ARG A 21 -0.189 12.024 -12.718 1.00 0.00 H new ATOM 0 HA ARG A 21 0.433 9.936 -13.413 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.870 10.974 -15.241 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.199 10.938 -14.101 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.356 8.969 -15.471 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.882 8.459 -13.863 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.531 7.272 -15.496 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.503 8.369 -14.596 1.00 0.00 H new ATOM 0 HE ARG A 21 0.137 9.642 -16.531 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.740 7.301 -17.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.774 7.552 -18.790 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.191 9.949 -18.774 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.339 9.043 -19.765 1.00 0.00 H new ATOM 353 N PRO A 22 1.134 9.733 -10.928 1.00 0.00 N ATOM 354 CA PRO A 22 1.626 9.359 -9.605 1.00 0.00 C ATOM 355 C PRO A 22 2.183 7.945 -9.517 1.00 0.00 C ATOM 356 O PRO A 22 2.803 7.596 -8.514 1.00 0.00 O ATOM 357 CB PRO A 22 0.375 9.486 -8.742 1.00 0.00 C ATOM 358 CG PRO A 22 -0.742 9.112 -9.655 1.00 0.00 C ATOM 359 CD PRO A 22 -0.329 9.553 -11.037 1.00 0.00 C ATOM 0 HA PRO A 22 2.466 9.985 -9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.420 8.825 -7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.255 10.501 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.922 8.037 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.670 9.598 -9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.585 8.806 -11.788 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.825 10.479 -11.326 1.00 0.00 H new ATOM 367 N ASN A 23 1.957 7.121 -10.545 1.00 0.00 N ATOM 368 CA ASN A 23 2.448 5.738 -10.522 1.00 0.00 C ATOM 369 C ASN A 23 2.288 5.169 -9.115 1.00 0.00 C ATOM 370 O ASN A 23 3.269 4.868 -8.453 1.00 0.00 O ATOM 371 CB ASN A 23 3.922 5.659 -10.949 1.00 0.00 C ATOM 372 CG ASN A 23 4.643 6.994 -10.916 1.00 0.00 C ATOM 373 OD1 ASN A 23 4.842 7.584 -9.854 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.051 7.469 -12.085 1.00 0.00 N ATOM 0 H ASN A 23 1.447 7.380 -11.389 1.00 0.00 H new ATOM 0 HA ASN A 23 1.861 5.154 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.443 4.959 -10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.976 5.252 -11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.551 8.357 -12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.864 6.947 -12.941 1.00 0.00 H new ATOM 381 N ILE A 24 1.049 5.089 -8.635 1.00 0.00 N ATOM 382 CA ILE A 24 0.804 4.620 -7.273 1.00 0.00 C ATOM 383 C ILE A 24 -0.055 3.356 -7.184 1.00 0.00 C ATOM 384 O ILE A 24 -0.948 3.119 -7.997 1.00 0.00 O ATOM 385 CB ILE A 24 0.138 5.726 -6.428 1.00 0.00 C ATOM 386 CG1 ILE A 24 0.051 5.299 -4.961 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.244 6.053 -6.973 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.179 6.452 -4.010 1.00 0.00 C ATOM 0 H ILE A 24 0.211 5.339 -9.159 1.00 0.00 H new ATOM 0 HA ILE A 24 1.790 4.367 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 24 0.752 6.624 -6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.759 4.578 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.973 4.788 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.699 6.835 -6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.156 6.399 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.868 5.160 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.230 6.076 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.643 7.163 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.116 6.949 -4.261 1.00 0.00 H new ATOM 400 N ALA A 25 0.223 2.580 -6.135 1.00 0.00 N ATOM 401 CA ALA A 25 -0.498 1.349 -5.820 1.00 0.00 C ATOM 402 C ALA A 25 -0.392 1.102 -4.319 1.00 0.00 C ATOM 403 O ALA A 25 0.701 1.121 -3.758 1.00 0.00 O ATOM 404 CB ALA A 25 0.043 0.164 -6.604 1.00 0.00 C ATOM 0 H ALA A 25 0.967 2.794 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.543 1.461 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.519 -0.733 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.059 0.357 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.095 0.017 -6.361 1.00 0.00 H new ATOM 410 N ILE A 26 -1.530 0.933 -3.665 1.00 0.00 N ATOM 411 CA ILE A 26 -1.562 0.761 -2.215 1.00 0.00 C ATOM 412 C ILE A 26 -1.563 -0.709 -1.770 1.00 0.00 C ATOM 413 O ILE A 26 -2.477 -1.460 -2.071 1.00 0.00 O ATOM 414 CB ILE A 26 -2.796 1.489 -1.656 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.880 1.372 -0.140 1.00 0.00 C ATOM 416 CG2 ILE A 26 -4.066 0.973 -2.309 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.694 2.484 0.472 1.00 0.00 C ATOM 0 H ILE A 26 -2.446 0.911 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.644 1.191 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.690 2.547 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.323 0.412 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.874 1.386 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.927 1.502 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.016 1.141 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.168 -0.094 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.726 2.358 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.237 3.444 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.708 2.454 0.073 1.00 0.00 H new ATOM 429 N ILE A 27 -0.523 -1.102 -1.030 1.00 0.00 N ATOM 430 CA ILE A 27 -0.409 -2.467 -0.529 1.00 0.00 C ATOM 431 C ILE A 27 -0.938 -2.589 0.902 1.00 0.00 C ATOM 432 O ILE A 27 -0.729 -1.704 1.731 1.00 0.00 O ATOM 433 CB ILE A 27 1.045 -2.970 -0.578 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.948 -2.094 0.289 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.547 -2.996 -2.014 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.298 -2.718 0.573 1.00 0.00 C ATOM 0 H ILE A 27 0.250 -0.491 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.019 -3.088 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 27 1.072 -3.985 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.096 -1.135 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.445 -1.889 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.576 -3.354 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.920 -3.662 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.504 -1.990 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.888 -2.043 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.159 -3.664 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.821 -2.897 -0.366 1.00 0.00 H new ATOM 448 N ASP A 28 -1.612 -3.701 1.181 1.00 0.00 N ATOM 449 CA ASP A 28 -2.161 -3.958 2.509 1.00 0.00 C ATOM 450 C ASP A 28 -1.516 -5.196 3.126 1.00 0.00 C ATOM 451 O ASP A 28 -1.569 -6.285 2.553 1.00 0.00 O ATOM 452 CB ASP A 28 -3.678 -4.139 2.433 1.00 0.00 C ATOM 453 CG ASP A 28 -4.393 -2.861 2.038 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.768 -2.018 1.360 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.575 -2.704 2.408 1.00 0.00 O ATOM 0 H ASP A 28 -1.792 -4.441 0.502 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.941 -3.099 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.912 -4.921 1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.050 -4.476 3.400 1.00 0.00 H new ATOM 460 N VAL A 29 -0.901 -5.022 4.293 1.00 0.00 N ATOM 461 CA VAL A 29 -0.241 -6.126 4.984 1.00 0.00 C ATOM 462 C VAL A 29 -0.897 -6.409 6.331 1.00 0.00 C ATOM 463 O VAL A 29 -1.121 -5.493 7.121 1.00 0.00 O ATOM 464 CB VAL A 29 1.252 -5.826 5.217 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.997 -5.738 3.894 1.00 0.00 C ATOM 466 CG2 VAL A 29 1.419 -4.546 6.023 1.00 0.00 C ATOM 0 H VAL A 29 -0.846 -4.127 4.780 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.340 -7.001 4.342 1.00 0.00 H new ATOM 0 HB VAL A 29 1.683 -6.647 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.049 -5.525 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.908 -6.685 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.569 -4.940 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.480 -4.350 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.971 -3.713 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.926 -4.657 6.989 1.00 0.00 H new ATOM 476 N ARG A 30 -1.197 -7.680 6.598 1.00 0.00 N ATOM 477 CA ARG A 30 -1.820 -8.056 7.865 1.00 0.00 C ATOM 478 C ARG A 30 -2.089 -9.558 7.943 1.00 0.00 C ATOM 479 O ARG A 30 -1.526 -10.255 8.787 1.00 0.00 O ATOM 480 CB ARG A 30 -3.125 -7.282 8.067 1.00 0.00 C ATOM 481 CG ARG A 30 -3.273 -6.697 9.462 1.00 0.00 C ATOM 482 CD ARG A 30 -4.309 -5.584 9.497 1.00 0.00 C ATOM 483 NE ARG A 30 -5.424 -5.900 10.387 1.00 0.00 N ATOM 484 CZ ARG A 30 -6.473 -5.100 10.573 1.00 0.00 C ATOM 485 NH1 ARG A 30 -6.553 -3.940 9.932 1.00 0.00 N ATOM 486 NH2 ARG A 30 -7.445 -5.462 11.399 1.00 0.00 N ATOM 0 H ARG A 30 -1.021 -8.458 5.962 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.120 -7.800 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.177 -6.475 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.966 -7.946 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.561 -7.485 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.311 -6.310 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.835 -4.658 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.688 -5.410 8.490 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.398 -6.784 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.809 -3.658 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.358 -3.331 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.390 -6.353 11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.248 -4.849 11.541 1.00 0.00 H new ATOM 500 N ASP A 31 -2.964 -10.050 7.068 1.00 0.00 N ATOM 501 CA ASP A 31 -3.325 -11.461 7.039 1.00 0.00 C ATOM 502 C ASP A 31 -4.541 -11.658 6.148 1.00 0.00 C ATOM 503 O ASP A 31 -5.397 -10.784 6.065 1.00 0.00 O ATOM 504 CB ASP A 31 -3.620 -11.978 8.452 1.00 0.00 C ATOM 505 CG ASP A 31 -2.508 -12.859 8.989 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.190 -13.876 8.340 1.00 0.00 O ATOM 507 OD2 ASP A 31 -1.955 -12.530 10.061 1.00 0.00 O ATOM 0 H ASP A 31 -3.439 -9.484 6.365 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.485 -12.028 6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.765 -11.131 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.553 -12.541 8.443 1.00 0.00 H new ATOM 512 N GLU A 32 -4.603 -12.805 5.478 1.00 0.00 N ATOM 513 CA GLU A 32 -5.710 -13.127 4.576 1.00 0.00 C ATOM 514 C GLU A 32 -7.001 -12.390 4.946 1.00 0.00 C ATOM 515 O GLU A 32 -7.591 -11.698 4.118 1.00 0.00 O ATOM 516 CB GLU A 32 -5.964 -14.636 4.581 1.00 0.00 C ATOM 517 CG GLU A 32 -7.071 -15.071 3.635 1.00 0.00 C ATOM 518 CD GLU A 32 -8.451 -14.927 4.247 1.00 0.00 C ATOM 519 OE1 GLU A 32 -8.808 -15.756 5.111 1.00 0.00 O ATOM 520 OE2 GLU A 32 -9.174 -13.983 3.864 1.00 0.00 O ATOM 0 H GLU A 32 -3.893 -13.535 5.542 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.418 -12.797 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.043 -15.152 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.219 -14.950 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.018 -14.477 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.911 -16.110 3.348 1.00 0.00 H new ATOM 527 N GLU A 33 -7.440 -12.560 6.187 1.00 0.00 N ATOM 528 CA GLU A 33 -8.672 -11.932 6.667 1.00 0.00 C ATOM 529 C GLU A 33 -8.457 -10.509 7.188 1.00 0.00 C ATOM 530 O GLU A 33 -9.392 -9.709 7.217 1.00 0.00 O ATOM 531 CB GLU A 33 -9.297 -12.787 7.769 1.00 0.00 C ATOM 532 CG GLU A 33 -10.666 -12.297 8.216 1.00 0.00 C ATOM 533 CD GLU A 33 -10.798 -12.223 9.725 1.00 0.00 C ATOM 534 OE1 GLU A 33 -10.005 -12.888 10.425 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.693 -11.498 10.207 1.00 0.00 O ATOM 0 H GLU A 33 -6.961 -13.130 6.885 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.342 -11.863 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.386 -13.814 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.627 -12.803 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.851 -11.311 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.433 -12.963 7.821 1.00 0.00 H new ATOM 542 N ARG A 34 -7.243 -10.208 7.637 1.00 0.00 N ATOM 543 CA ARG A 34 -6.942 -8.895 8.200 1.00 0.00 C ATOM 544 C ARG A 34 -6.600 -7.858 7.134 1.00 0.00 C ATOM 545 O ARG A 34 -6.834 -6.666 7.333 1.00 0.00 O ATOM 546 CB ARG A 34 -5.791 -9.003 9.202 1.00 0.00 C ATOM 547 CG ARG A 34 -6.225 -9.486 10.578 1.00 0.00 C ATOM 548 CD ARG A 34 -5.031 -9.699 11.497 1.00 0.00 C ATOM 549 NE ARG A 34 -5.367 -9.454 12.898 1.00 0.00 N ATOM 550 CZ ARG A 34 -4.486 -9.524 13.894 1.00 0.00 C ATOM 551 NH1 ARG A 34 -3.218 -9.829 13.648 1.00 0.00 N ATOM 552 NH2 ARG A 34 -4.875 -9.286 15.140 1.00 0.00 N ATOM 0 H ARG A 34 -6.453 -10.853 7.623 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.846 -8.554 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.039 -9.686 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.315 -8.028 9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.903 -8.758 11.023 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.780 -10.419 10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.665 -10.720 11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.220 -9.035 11.197 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.332 -9.216 13.126 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.914 -10.011 12.692 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.548 -9.881 14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.848 -9.050 15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.201 -9.339 15.904 1.00 0.00 H new ATOM 566 N ASN A 35 -6.035 -8.293 6.013 1.00 0.00 N ATOM 567 CA ASN A 35 -5.668 -7.355 4.959 1.00 0.00 C ATOM 568 C ASN A 35 -6.851 -7.044 4.047 1.00 0.00 C ATOM 569 O ASN A 35 -6.851 -6.039 3.336 1.00 0.00 O ATOM 570 CB ASN A 35 -4.473 -7.864 4.146 1.00 0.00 C ATOM 571 CG ASN A 35 -4.438 -9.372 3.997 1.00 0.00 C ATOM 572 OD1 ASN A 35 -3.403 -10.005 4.198 1.00 0.00 O ATOM 573 ND2 ASN A 35 -5.573 -9.957 3.654 1.00 0.00 N ATOM 0 H ASN A 35 -5.824 -9.271 5.812 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.371 -6.427 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.498 -7.410 3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.551 -7.533 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.612 -10.971 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.409 -9.395 3.496 1.00 0.00 H new ATOM 580 N TYR A 36 -7.863 -7.905 4.075 1.00 0.00 N ATOM 581 CA TYR A 36 -9.052 -7.706 3.251 1.00 0.00 C ATOM 582 C TYR A 36 -9.979 -6.683 3.889 1.00 0.00 C ATOM 583 O TYR A 36 -10.420 -5.740 3.232 1.00 0.00 O ATOM 584 CB TYR A 36 -9.806 -9.026 3.044 1.00 0.00 C ATOM 585 CG TYR A 36 -8.998 -10.103 2.350 1.00 0.00 C ATOM 586 CD1 TYR A 36 -7.739 -9.836 1.827 1.00 0.00 C ATOM 587 CD2 TYR A 36 -9.495 -11.395 2.228 1.00 0.00 C ATOM 588 CE1 TYR A 36 -7.000 -10.819 1.205 1.00 0.00 C ATOM 589 CE2 TYR A 36 -8.761 -12.386 1.605 1.00 0.00 C ATOM 590 CZ TYR A 36 -7.513 -12.093 1.096 1.00 0.00 C ATOM 591 OH TYR A 36 -6.779 -13.078 0.474 1.00 0.00 O ATOM 0 H TYR A 36 -7.885 -8.743 4.656 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.724 -7.335 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.132 -9.401 4.014 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.705 -8.830 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.332 -8.839 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.471 -11.628 2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.023 -10.592 0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.162 -13.385 1.517 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.284 -13.918 0.483 1.00 0.00 H new ATOM 601 N ASP A 37 -10.273 -6.877 5.177 1.00 0.00 N ATOM 602 CA ASP A 37 -11.157 -5.972 5.914 1.00 0.00 C ATOM 603 C ASP A 37 -12.344 -5.552 5.051 1.00 0.00 C ATOM 604 O ASP A 37 -12.820 -4.419 5.133 1.00 0.00 O ATOM 605 CB ASP A 37 -10.383 -4.737 6.380 1.00 0.00 C ATOM 606 CG ASP A 37 -9.628 -4.064 5.250 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.285 -3.534 4.329 1.00 0.00 O ATOM 608 OD2 ASP A 37 -8.379 -4.068 5.286 1.00 0.00 O ATOM 0 H ASP A 37 -9.911 -7.653 5.731 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.536 -6.502 6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.077 -4.024 6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.680 -5.026 7.161 1.00 0.00 H new ATOM 613 N GLY A 38 -12.798 -6.474 4.212 1.00 0.00 N ATOM 614 CA GLY A 38 -13.907 -6.197 3.322 1.00 0.00 C ATOM 615 C GLY A 38 -13.546 -6.485 1.879 1.00 0.00 C ATOM 616 O GLY A 38 -13.665 -7.620 1.420 1.00 0.00 O ATOM 0 H GLY A 38 -12.414 -7.416 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.767 -6.802 3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.204 -5.153 3.423 1.00 0.00 H new ATOM 620 N HIS A 39 -13.093 -5.458 1.165 1.00 0.00 N ATOM 621 CA HIS A 39 -12.699 -5.613 -0.231 1.00 0.00 C ATOM 622 C HIS A 39 -12.347 -4.257 -0.849 1.00 0.00 C ATOM 623 O HIS A 39 -12.850 -3.919 -1.907 1.00 0.00 O ATOM 624 CB HIS A 39 -13.827 -6.279 -1.040 1.00 0.00 C ATOM 625 CG HIS A 39 -13.577 -7.713 -1.391 1.00 0.00 C ATOM 626 ND1 HIS A 39 -14.359 -8.366 -2.316 1.00 0.00 N ATOM 627 CD2 HIS A 39 -12.634 -8.568 -0.925 1.00 0.00 C ATOM 628 CE1 HIS A 39 -13.877 -9.594 -2.393 1.00 0.00 C ATOM 629 NE2 HIS A 39 -12.831 -9.763 -1.569 1.00 0.00 N ATOM 0 H HIS A 39 -12.990 -4.511 1.530 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.816 -6.252 -0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -14.753 -6.214 -0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.979 -5.714 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.874 -8.350 -0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.274 -10.364 -3.037 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.287 -10.617 -1.445 1.00 0.00 H new ATOM 637 N ILE A 40 -11.477 -3.489 -0.185 1.00 0.00 N ATOM 638 CA ILE A 40 -11.058 -2.166 -0.685 1.00 0.00 C ATOM 639 C ILE A 40 -10.842 -2.188 -2.206 1.00 0.00 C ATOM 640 O ILE A 40 -10.678 -3.259 -2.779 1.00 0.00 O ATOM 641 CB ILE A 40 -9.752 -1.716 0.007 1.00 0.00 C ATOM 642 CG1 ILE A 40 -9.314 -0.330 -0.481 1.00 0.00 C ATOM 643 CG2 ILE A 40 -8.649 -2.734 -0.232 1.00 0.00 C ATOM 644 CD1 ILE A 40 -10.321 0.765 -0.201 1.00 0.00 C ATOM 0 H ILE A 40 -11.047 -3.757 0.700 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.856 -1.461 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.945 -1.650 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.368 -0.070 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.130 -0.375 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.735 -2.403 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.951 -3.700 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.469 -2.830 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.939 1.715 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -11.262 0.530 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.488 0.840 0.874 1.00 0.00 H new ATOM 656 N ALA A 41 -10.853 -1.011 -2.861 1.00 0.00 N ATOM 657 CA ALA A 41 -10.685 -0.949 -4.322 1.00 0.00 C ATOM 658 C ALA A 41 -9.234 -0.857 -4.682 1.00 0.00 C ATOM 659 O ALA A 41 -8.563 0.063 -4.276 1.00 0.00 O ATOM 660 CB ALA A 41 -11.350 0.292 -4.893 1.00 0.00 C ATOM 0 H ALA A 41 -10.975 -0.105 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.136 -1.854 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.212 0.314 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.415 0.272 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.901 1.181 -4.451 1.00 0.00 H new ATOM 666 N GLY A 42 -8.768 -1.843 -5.440 1.00 0.00 N ATOM 667 CA GLY A 42 -7.382 -1.885 -5.846 1.00 0.00 C ATOM 668 C GLY A 42 -6.513 -2.532 -4.788 1.00 0.00 C ATOM 669 O GLY A 42 -6.599 -3.740 -4.578 1.00 0.00 O ATOM 0 H GLY A 42 -9.334 -2.619 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.292 -2.439 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.028 -0.873 -6.040 1.00 0.00 H new ATOM 673 N SER A 43 -5.690 -1.719 -4.118 1.00 0.00 N ATOM 674 CA SER A 43 -4.793 -2.176 -3.050 1.00 0.00 C ATOM 675 C SER A 43 -4.614 -3.693 -2.987 1.00 0.00 C ATOM 676 O SER A 43 -5.547 -4.427 -2.662 1.00 0.00 O ATOM 677 CB SER A 43 -5.299 -1.675 -1.693 1.00 0.00 C ATOM 678 OG SER A 43 -6.370 -0.760 -1.851 1.00 0.00 O ATOM 0 H SER A 43 -5.627 -0.718 -4.302 1.00 0.00 H new ATOM 0 HA SER A 43 -3.815 -1.756 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.626 -2.521 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.483 -1.194 -1.153 1.00 0.00 H new ATOM 0 HG SER A 43 -6.465 -0.224 -1.036 1.00 0.00 H new ATOM 684 N LEU A 44 -3.396 -4.153 -3.258 1.00 0.00 N ATOM 685 CA LEU A 44 -3.098 -5.581 -3.194 1.00 0.00 C ATOM 686 C LEU A 44 -2.927 -6.009 -1.739 1.00 0.00 C ATOM 687 O LEU A 44 -1.977 -5.602 -1.070 1.00 0.00 O ATOM 688 CB LEU A 44 -1.836 -5.914 -3.997 1.00 0.00 C ATOM 689 CG LEU A 44 -0.699 -4.895 -3.885 1.00 0.00 C ATOM 690 CD1 LEU A 44 0.647 -5.600 -3.817 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.737 -3.924 -5.056 1.00 0.00 C ATOM 0 H LEU A 44 -2.606 -3.564 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.932 -6.128 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.464 -6.885 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.110 -6.014 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.834 -4.328 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.442 -4.859 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.672 -6.254 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.793 -6.194 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.078 -3.207 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.627 -4.476 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.689 -3.393 -5.058 1.00 0.00 H new ATOM 703 N HIS A 45 -3.865 -6.813 -1.248 1.00 0.00 N ATOM 704 CA HIS A 45 -3.830 -7.274 0.139 1.00 0.00 C ATOM 705 C HIS A 45 -3.076 -8.594 0.281 1.00 0.00 C ATOM 706 O HIS A 45 -3.123 -9.450 -0.603 1.00 0.00 O ATOM 707 CB HIS A 45 -5.252 -7.427 0.693 1.00 0.00 C ATOM 708 CG HIS A 45 -6.250 -7.933 -0.304 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.084 -9.109 -1.006 1.00 0.00 N ATOM 710 CD2 HIS A 45 -7.433 -7.416 -0.714 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.121 -9.292 -1.805 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.954 -8.280 -1.645 1.00 0.00 N ATOM 0 H HIS A 45 -4.658 -7.159 -1.788 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.297 -6.518 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.227 -8.109 1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.589 -6.461 1.069 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.286 -9.739 -0.922 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.883 -6.495 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.263 -10.127 -2.475 1.00 0.00 H new ATOM 721 N TYR A 46 -2.389 -8.748 1.412 1.00 0.00 N ATOM 722 CA TYR A 46 -1.627 -9.959 1.700 1.00 0.00 C ATOM 723 C TYR A 46 -0.972 -9.867 3.083 1.00 0.00 C ATOM 724 O TYR A 46 -1.019 -8.825 3.729 1.00 0.00 O ATOM 725 CB TYR A 46 -0.584 -10.213 0.600 1.00 0.00 C ATOM 726 CG TYR A 46 0.774 -9.589 0.852 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.902 -8.241 1.157 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.927 -10.357 0.774 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.145 -7.677 1.378 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.172 -9.803 0.994 1.00 0.00 C ATOM 731 CZ TYR A 46 3.277 -8.462 1.296 1.00 0.00 C ATOM 732 OH TYR A 46 4.515 -7.905 1.517 1.00 0.00 O ATOM 0 H TYR A 46 -2.346 -8.043 2.148 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.311 -10.808 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.457 -11.289 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.973 -9.832 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.018 -7.624 1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.849 -11.408 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.230 -6.626 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.059 -10.416 0.930 1.00 0.00 H new ATOM 0 HH TYR A 46 5.009 -8.451 2.164 1.00 0.00 H new ATOM 742 N ALA A 47 -0.379 -10.968 3.534 1.00 0.00 N ATOM 743 CA ALA A 47 0.266 -11.014 4.844 1.00 0.00 C ATOM 744 C ALA A 47 1.783 -11.127 4.717 1.00 0.00 C ATOM 745 O ALA A 47 2.349 -10.833 3.664 1.00 0.00 O ATOM 746 CB ALA A 47 -0.282 -12.181 5.651 1.00 0.00 C ATOM 0 H ALA A 47 -0.331 -11.843 3.011 1.00 0.00 H new ATOM 0 HA ALA A 47 0.045 -10.081 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.204 -12.209 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.357 -12.058 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.086 -13.113 5.121 1.00 0.00 H new ATOM 752 N SER A 48 2.436 -11.561 5.795 1.00 0.00 N ATOM 753 CA SER A 48 3.886 -11.717 5.794 1.00 0.00 C ATOM 754 C SER A 48 4.308 -13.024 6.456 1.00 0.00 C ATOM 755 O SER A 48 5.449 -13.166 6.898 1.00 0.00 O ATOM 756 CB SER A 48 4.554 -10.534 6.497 1.00 0.00 C ATOM 757 OG SER A 48 5.949 -10.744 6.636 1.00 0.00 O ATOM 0 H SER A 48 1.984 -11.809 6.675 1.00 0.00 H new ATOM 0 HA SER A 48 4.212 -11.744 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.375 -9.621 5.929 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.105 -10.390 7.480 1.00 0.00 H new ATOM 0 HG SER A 48 6.178 -11.641 6.315 1.00 0.00 H new ATOM 763 N GLY A 49 3.394 -13.985 6.497 1.00 0.00 N ATOM 764 CA GLY A 49 3.711 -15.277 7.081 1.00 0.00 C ATOM 765 C GLY A 49 4.640 -16.057 6.177 1.00 0.00 C ATOM 766 O GLY A 49 5.711 -16.498 6.592 1.00 0.00 O ATOM 0 H GLY A 49 2.443 -13.895 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.177 -15.137 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.794 -15.843 7.244 1.00 0.00 H new ATOM 770 N SER A 50 4.230 -16.188 4.922 1.00 0.00 N ATOM 771 CA SER A 50 5.019 -16.874 3.911 1.00 0.00 C ATOM 772 C SER A 50 5.147 -15.999 2.668 1.00 0.00 C ATOM 773 O SER A 50 5.644 -16.440 1.632 1.00 0.00 O ATOM 774 CB SER A 50 4.382 -18.209 3.534 1.00 0.00 C ATOM 775 OG SER A 50 4.490 -19.146 4.590 1.00 0.00 O ATOM 0 H SER A 50 3.342 -15.822 4.578 1.00 0.00 H new ATOM 0 HA SER A 50 6.009 -17.067 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.332 -18.056 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.866 -18.606 2.641 1.00 0.00 H new ATOM 0 HG SER A 50 4.072 -19.991 4.322 1.00 0.00 H new ATOM 781 N PHE A 51 4.699 -14.748 2.784 1.00 0.00 N ATOM 782 CA PHE A 51 4.765 -13.806 1.680 1.00 0.00 C ATOM 783 C PHE A 51 6.113 -13.105 1.648 1.00 0.00 C ATOM 784 O PHE A 51 6.343 -12.205 0.840 1.00 0.00 O ATOM 785 CB PHE A 51 3.632 -12.797 1.788 1.00 0.00 C ATOM 786 CG PHE A 51 2.295 -13.438 2.033 1.00 0.00 C ATOM 787 CD1 PHE A 51 1.884 -13.739 3.321 1.00 0.00 C ATOM 788 CD2 PHE A 51 1.453 -13.748 0.976 1.00 0.00 C ATOM 789 CE1 PHE A 51 0.658 -14.334 3.552 1.00 0.00 C ATOM 790 CE2 PHE A 51 0.226 -14.344 1.201 1.00 0.00 C ATOM 791 CZ PHE A 51 -0.172 -14.637 2.490 1.00 0.00 C ATOM 0 H PHE A 51 4.287 -14.369 3.636 1.00 0.00 H new ATOM 0 HA PHE A 51 4.653 -14.356 0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.849 -12.101 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.585 -12.212 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.529 -13.506 4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.759 -13.521 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.349 -14.562 4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.421 -14.580 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.130 -15.102 2.668 1.00 0.00 H new ATOM 801 N ASP A 52 7.012 -13.554 2.513 1.00 0.00 N ATOM 802 CA ASP A 52 8.359 -13.006 2.577 1.00 0.00 C ATOM 803 C ASP A 52 9.257 -13.721 1.568 1.00 0.00 C ATOM 804 O ASP A 52 10.480 -13.622 1.633 1.00 0.00 O ATOM 805 CB ASP A 52 8.936 -13.152 3.989 1.00 0.00 C ATOM 806 CG ASP A 52 7.876 -13.057 5.071 1.00 0.00 C ATOM 807 OD1 ASP A 52 6.879 -12.335 4.863 1.00 0.00 O ATOM 808 OD2 ASP A 52 8.045 -13.703 6.127 1.00 0.00 O ATOM 0 H ASP A 52 6.831 -14.301 3.184 1.00 0.00 H new ATOM 0 HA ASP A 52 8.315 -11.945 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.447 -14.112 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.685 -12.377 4.152 1.00 0.00 H new ATOM 813 N ASP A 53 8.634 -14.448 0.638 1.00 0.00 N ATOM 814 CA ASP A 53 9.362 -15.180 -0.386 1.00 0.00 C ATOM 815 C ASP A 53 9.033 -14.639 -1.780 1.00 0.00 C ATOM 816 O ASP A 53 9.755 -14.907 -2.740 1.00 0.00 O ATOM 817 CB ASP A 53 9.023 -16.671 -0.306 1.00 0.00 C ATOM 818 CG ASP A 53 10.256 -17.549 -0.406 1.00 0.00 C ATOM 819 OD1 ASP A 53 10.840 -17.629 -1.507 1.00 0.00 O ATOM 820 OD2 ASP A 53 10.637 -18.156 0.617 1.00 0.00 O ATOM 0 H ASP A 53 7.620 -14.542 0.578 1.00 0.00 H new ATOM 0 HA ASP A 53 10.429 -15.047 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.510 -16.875 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.331 -16.927 -1.108 1.00 0.00 H new ATOM 825 N LYS A 54 7.944 -13.873 -1.884 1.00 0.00 N ATOM 826 CA LYS A 54 7.533 -13.297 -3.162 1.00 0.00 C ATOM 827 C LYS A 54 7.685 -11.777 -3.148 1.00 0.00 C ATOM 828 O LYS A 54 7.654 -11.128 -4.193 1.00 0.00 O ATOM 829 CB LYS A 54 6.083 -13.674 -3.473 1.00 0.00 C ATOM 830 CG LYS A 54 5.082 -13.113 -2.473 1.00 0.00 C ATOM 831 CD LYS A 54 3.973 -14.112 -2.173 1.00 0.00 C ATOM 832 CE LYS A 54 2.680 -13.739 -2.879 1.00 0.00 C ATOM 833 NZ LYS A 54 1.585 -14.704 -2.581 1.00 0.00 N ATOM 0 H LYS A 54 7.334 -13.639 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 54 8.181 -13.702 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.828 -13.315 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.995 -14.760 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.597 -12.851 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.648 -12.194 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.285 -15.108 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.802 -14.155 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.375 -12.738 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.851 -13.705 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.882 -14.678 -3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.979 -15.663 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.129 -14.445 -1.683 1.00 0.00 H new ATOM 847 N ILE A 55 7.847 -11.218 -1.952 1.00 0.00 N ATOM 848 CA ILE A 55 8.003 -9.783 -1.787 1.00 0.00 C ATOM 849 C ILE A 55 9.158 -9.258 -2.643 1.00 0.00 C ATOM 850 O ILE A 55 9.028 -8.230 -3.299 1.00 0.00 O ATOM 851 CB ILE A 55 8.189 -9.432 -0.277 1.00 0.00 C ATOM 852 CG1 ILE A 55 7.144 -8.400 0.155 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.602 -8.946 0.076 1.00 0.00 C ATOM 854 CD1 ILE A 55 7.401 -7.013 -0.385 1.00 0.00 C ATOM 0 H ILE A 55 7.873 -11.745 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 55 7.097 -9.287 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 55 8.045 -10.361 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.160 -8.732 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.117 -8.357 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.654 -8.722 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.326 -9.724 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.831 -8.047 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.620 -6.337 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.370 -6.660 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.398 -7.040 -1.475 1.00 0.00 H new ATOM 866 N SER A 56 10.276 -10.005 -2.633 1.00 0.00 N ATOM 867 CA SER A 56 11.467 -9.636 -3.399 1.00 0.00 C ATOM 868 C SER A 56 11.093 -9.391 -4.844 1.00 0.00 C ATOM 869 O SER A 56 11.672 -8.565 -5.547 1.00 0.00 O ATOM 870 CB SER A 56 12.528 -10.742 -3.306 1.00 0.00 C ATOM 871 OG SER A 56 12.965 -11.157 -4.591 1.00 0.00 O ATOM 0 H SER A 56 10.374 -10.869 -2.100 1.00 0.00 H new ATOM 0 HA SER A 56 11.885 -8.721 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.380 -10.382 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.118 -11.596 -2.767 1.00 0.00 H new ATOM 0 HG SER A 56 13.379 -12.043 -4.525 1.00 0.00 H new ATOM 877 N HIS A 57 10.106 -10.128 -5.233 1.00 0.00 N ATOM 878 CA HIS A 57 9.535 -10.089 -6.559 1.00 0.00 C ATOM 879 C HIS A 57 8.646 -8.872 -6.806 1.00 0.00 C ATOM 880 O HIS A 57 8.709 -8.254 -7.868 1.00 0.00 O ATOM 881 CB HIS A 57 8.699 -11.328 -6.707 1.00 0.00 C ATOM 882 CG HIS A 57 8.673 -11.902 -8.090 1.00 0.00 C ATOM 883 ND1 HIS A 57 8.101 -13.121 -8.387 1.00 0.00 N ATOM 884 CD2 HIS A 57 9.150 -11.417 -9.262 1.00 0.00 C ATOM 885 CE1 HIS A 57 8.226 -13.361 -9.679 1.00 0.00 C ATOM 886 NE2 HIS A 57 8.859 -12.344 -10.233 1.00 0.00 N ATOM 0 H HIS A 57 9.650 -10.804 -4.620 1.00 0.00 H new ATOM 0 HA HIS A 57 10.350 -10.029 -7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.073 -12.087 -6.020 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.677 -11.099 -6.404 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.663 -10.478 -9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.871 -14.241 -10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.094 -12.260 -11.222 1.00 0.00 H new ATOM 895 N LEU A 58 7.793 -8.561 -5.824 1.00 0.00 N ATOM 896 CA LEU A 58 6.842 -7.457 -5.938 1.00 0.00 C ATOM 897 C LEU A 58 7.563 -6.215 -6.346 1.00 0.00 C ATOM 898 O LEU A 58 7.158 -5.510 -7.271 1.00 0.00 O ATOM 899 CB LEU A 58 6.107 -7.238 -4.614 1.00 0.00 C ATOM 900 CG LEU A 58 4.875 -8.120 -4.405 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.313 -7.929 -3.005 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.818 -7.814 -5.454 1.00 0.00 C ATOM 0 H LEU A 58 7.744 -9.063 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 58 6.101 -7.706 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.804 -7.414 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.802 -6.193 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 58 5.174 -9.162 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.437 -8.564 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.070 -8.199 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.028 -6.886 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.948 -8.450 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.522 -6.768 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.225 -8.004 -6.447 1.00 0.00 H new ATOM 914 N VAL A 59 8.659 -5.975 -5.677 1.00 0.00 N ATOM 915 CA VAL A 59 9.476 -4.838 -5.997 1.00 0.00 C ATOM 916 C VAL A 59 10.167 -5.089 -7.339 1.00 0.00 C ATOM 917 O VAL A 59 10.368 -4.174 -8.137 1.00 0.00 O ATOM 918 CB VAL A 59 10.488 -4.586 -4.876 1.00 0.00 C ATOM 919 CG1 VAL A 59 11.879 -4.353 -5.420 1.00 0.00 C ATOM 920 CG2 VAL A 59 10.022 -3.444 -3.999 1.00 0.00 C ATOM 0 H VAL A 59 9.005 -6.551 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 59 8.861 -3.943 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 59 10.547 -5.482 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.568 -4.178 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.201 -5.230 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.872 -3.483 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.750 -3.274 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.923 -2.540 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.057 -3.694 -3.559 1.00 0.00 H new ATOM 930 N GLN A 60 10.522 -6.356 -7.566 1.00 0.00 N ATOM 931 CA GLN A 60 11.190 -6.782 -8.794 1.00 0.00 C ATOM 932 C GLN A 60 10.322 -6.592 -10.032 1.00 0.00 C ATOM 933 O GLN A 60 10.748 -6.895 -11.147 1.00 0.00 O ATOM 934 CB GLN A 60 11.587 -8.252 -8.684 1.00 0.00 C ATOM 935 CG GLN A 60 12.646 -8.675 -9.687 1.00 0.00 C ATOM 936 CD GLN A 60 14.002 -8.902 -9.046 1.00 0.00 C ATOM 937 OE1 GLN A 60 14.446 -8.113 -8.212 1.00 0.00 O ATOM 938 NE2 GLN A 60 14.666 -9.985 -9.432 1.00 0.00 N ATOM 0 H GLN A 60 10.354 -7.113 -6.903 1.00 0.00 H new ATOM 0 HA GLN A 60 12.072 -6.153 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.956 -8.445 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.700 -8.870 -8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.325 -9.591 -10.183 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.737 -7.910 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.260 -10.612 -10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.582 -10.190 -9.034 1.00 0.00 H new ATOM 947 N ASN A 61 9.110 -6.111 -9.838 1.00 0.00 N ATOM 948 CA ASN A 61 8.190 -5.905 -10.940 1.00 0.00 C ATOM 949 C ASN A 61 8.749 -4.897 -11.944 1.00 0.00 C ATOM 950 O ASN A 61 8.492 -4.998 -13.143 1.00 0.00 O ATOM 951 CB ASN A 61 6.840 -5.466 -10.381 1.00 0.00 C ATOM 952 CG ASN A 61 6.166 -6.575 -9.592 1.00 0.00 C ATOM 953 OD1 ASN A 61 4.939 -6.628 -9.512 1.00 0.00 O ATOM 954 ND2 ASN A 61 6.959 -7.473 -9.001 1.00 0.00 N ATOM 0 H ASN A 61 8.738 -5.854 -8.924 1.00 0.00 H new ATOM 0 HA ASN A 61 8.056 -6.840 -11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.978 -4.596 -9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.191 -5.157 -11.200 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.551 -8.236 -8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.972 -7.396 -9.090 1.00 0.00 H new ATOM 961 N VAL A 62 9.530 -3.940 -11.445 1.00 0.00 N ATOM 962 CA VAL A 62 10.156 -2.922 -12.288 1.00 0.00 C ATOM 963 C VAL A 62 9.183 -2.369 -13.323 1.00 0.00 C ATOM 964 O VAL A 62 9.460 -2.367 -14.523 1.00 0.00 O ATOM 965 CB VAL A 62 11.412 -3.474 -12.998 1.00 0.00 C ATOM 966 CG1 VAL A 62 11.060 -4.659 -13.883 1.00 0.00 C ATOM 967 CG2 VAL A 62 12.098 -2.381 -13.805 1.00 0.00 C ATOM 0 H VAL A 62 9.746 -3.848 -10.452 1.00 0.00 H new ATOM 0 HA VAL A 62 10.454 -2.109 -11.626 1.00 0.00 H new ATOM 0 HB VAL A 62 12.107 -3.821 -12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.962 -5.029 -14.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.626 -5.452 -13.274 1.00 0.00 H new ATOM 0 HG13 VAL A 62 10.340 -4.347 -14.639 1.00 0.00 H new ATOM 0 HG21 VAL A 62 12.980 -2.791 -14.297 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.409 -1.997 -14.557 1.00 0.00 H new ATOM 0 HG23 VAL A 62 12.397 -1.571 -13.140 1.00 0.00 H new ATOM 977 N LYS A 63 8.045 -1.895 -12.842 1.00 0.00 N ATOM 978 CA LYS A 63 7.019 -1.329 -13.715 1.00 0.00 C ATOM 979 C LYS A 63 7.368 0.090 -14.168 1.00 0.00 C ATOM 980 O LYS A 63 6.546 0.760 -14.792 1.00 0.00 O ATOM 981 CB LYS A 63 5.664 -1.326 -13.004 1.00 0.00 C ATOM 982 CG LYS A 63 4.900 -2.633 -13.142 1.00 0.00 C ATOM 983 CD LYS A 63 3.836 -2.772 -12.065 1.00 0.00 C ATOM 984 CE LYS A 63 2.688 -3.657 -12.524 1.00 0.00 C ATOM 985 NZ LYS A 63 3.103 -5.082 -12.649 1.00 0.00 N ATOM 0 H LYS A 63 7.805 -1.889 -11.851 1.00 0.00 H new ATOM 0 HA LYS A 63 6.967 -1.958 -14.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.819 -1.116 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.055 -0.515 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.432 -2.680 -14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.595 -3.470 -13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.282 -3.192 -11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.453 -1.786 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.864 -3.580 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.317 -3.301 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.293 -5.653 -12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.873 -5.160 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.434 -5.430 -11.726 1.00 0.00 H new ATOM 999 N ASP A 64 8.583 0.548 -13.856 1.00 0.00 N ATOM 1000 CA ASP A 64 9.018 1.892 -14.236 1.00 0.00 C ATOM 1001 C ASP A 64 8.215 2.942 -13.477 1.00 0.00 C ATOM 1002 O ASP A 64 8.751 3.654 -12.628 1.00 0.00 O ATOM 1003 CB ASP A 64 8.871 2.102 -15.746 1.00 0.00 C ATOM 1004 CG ASP A 64 9.623 1.060 -16.550 1.00 0.00 C ATOM 1005 OD1 ASP A 64 9.158 -0.097 -16.607 1.00 0.00 O ATOM 1006 OD2 ASP A 64 10.680 1.402 -17.124 1.00 0.00 O ATOM 0 H ASP A 64 9.280 0.009 -13.343 1.00 0.00 H new ATOM 0 HA ASP A 64 10.071 1.998 -13.975 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.815 2.071 -16.013 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.237 3.094 -16.009 1.00 0.00 H new ATOM 1011 N LYS A 65 6.922 3.014 -13.771 1.00 0.00 N ATOM 1012 CA LYS A 65 6.036 3.955 -13.096 1.00 0.00 C ATOM 1013 C LYS A 65 5.274 3.227 -12.007 1.00 0.00 C ATOM 1014 O LYS A 65 4.189 2.693 -12.241 1.00 0.00 O ATOM 1015 CB LYS A 65 5.063 4.598 -14.085 1.00 0.00 C ATOM 1016 CG LYS A 65 4.476 3.628 -15.096 1.00 0.00 C ATOM 1017 CD LYS A 65 5.260 3.635 -16.397 1.00 0.00 C ATOM 1018 CE LYS A 65 4.426 3.106 -17.554 1.00 0.00 C ATOM 1019 NZ LYS A 65 4.445 1.619 -17.617 1.00 0.00 N ATOM 0 H LYS A 65 6.464 2.432 -14.472 1.00 0.00 H new ATOM 0 HA LYS A 65 6.636 4.751 -12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.249 5.062 -13.528 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.579 5.395 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.474 2.622 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.437 3.893 -15.295 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.589 4.650 -16.619 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.157 3.026 -16.286 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.398 3.452 -17.448 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.805 3.514 -18.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.865 1.298 -18.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.423 1.289 -17.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.060 1.229 -16.733 1.00 0.00 H new ATOM 1033 N ASP A 66 5.858 3.187 -10.821 1.00 0.00 N ATOM 1034 CA ASP A 66 5.234 2.494 -9.706 1.00 0.00 C ATOM 1035 C ASP A 66 5.693 3.003 -8.347 1.00 0.00 C ATOM 1036 O ASP A 66 6.850 2.873 -7.977 1.00 0.00 O ATOM 1037 CB ASP A 66 5.531 1.000 -9.815 1.00 0.00 C ATOM 1038 CG ASP A 66 6.986 0.667 -9.552 1.00 0.00 C ATOM 1039 OD1 ASP A 66 7.859 1.478 -9.931 1.00 0.00 O ATOM 1040 OD2 ASP A 66 7.255 -0.403 -8.968 1.00 0.00 O ATOM 0 H ASP A 66 6.755 3.622 -10.606 1.00 0.00 H new ATOM 0 HA ASP A 66 4.163 2.687 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.906 0.458 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.258 0.652 -10.811 1.00 0.00 H new ATOM 1045 N THR A 67 4.742 3.509 -7.588 1.00 0.00 N ATOM 1046 CA THR A 67 4.984 3.967 -6.234 1.00 0.00 C ATOM 1047 C THR A 67 4.080 3.156 -5.331 1.00 0.00 C ATOM 1048 O THR A 67 2.893 3.019 -5.621 1.00 0.00 O ATOM 1049 CB THR A 67 4.695 5.465 -6.095 1.00 0.00 C ATOM 1050 OG1 THR A 67 3.306 5.724 -6.164 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.373 6.303 -7.157 1.00 0.00 C ATOM 0 H THR A 67 3.775 3.615 -7.894 1.00 0.00 H new ATOM 0 HA THR A 67 6.031 3.829 -5.963 1.00 0.00 H new ATOM 0 HB THR A 67 5.095 5.744 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.071 6.007 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.128 7.354 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.453 6.169 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.027 5.991 -8.142 1.00 0.00 H new ATOM 1059 N LEU A 68 4.611 2.582 -4.266 1.00 0.00 N ATOM 1060 CA LEU A 68 3.769 1.763 -3.406 1.00 0.00 C ATOM 1061 C LEU A 68 3.502 2.423 -2.067 1.00 0.00 C ATOM 1062 O LEU A 68 4.424 2.815 -1.362 1.00 0.00 O ATOM 1063 CB LEU A 68 4.408 0.385 -3.195 1.00 0.00 C ATOM 1064 CG LEU A 68 5.503 0.320 -2.126 1.00 0.00 C ATOM 1065 CD1 LEU A 68 4.911 -0.090 -0.787 1.00 0.00 C ATOM 1066 CD2 LEU A 68 6.604 -0.647 -2.542 1.00 0.00 C ATOM 0 H LEU A 68 5.587 2.661 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 68 2.809 1.647 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.623 -0.323 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.830 0.051 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 68 5.942 1.312 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.701 -0.132 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.160 0.639 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.447 -1.072 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.372 -0.678 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.182 -1.643 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.047 -0.312 -3.480 1.00 0.00 H new ATOM 1078 N VAL A 69 2.228 2.488 -1.700 1.00 0.00 N ATOM 1079 CA VAL A 69 1.834 3.045 -0.424 1.00 0.00 C ATOM 1080 C VAL A 69 1.271 1.927 0.421 1.00 0.00 C ATOM 1081 O VAL A 69 0.324 1.261 0.017 1.00 0.00 O ATOM 1082 CB VAL A 69 0.785 4.164 -0.580 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.402 5.383 -1.247 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.418 3.669 -1.366 1.00 0.00 C ATOM 0 H VAL A 69 1.452 2.159 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 69 2.708 3.492 0.050 1.00 0.00 H new ATOM 0 HB VAL A 69 0.442 4.454 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.647 6.163 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.226 5.753 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.775 5.108 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.145 4.475 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.098 3.347 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.875 2.830 -0.842 1.00 0.00 H new ATOM 1094 N PHE A 70 1.869 1.684 1.575 1.00 0.00 N ATOM 1095 CA PHE A 70 1.406 0.585 2.411 1.00 0.00 C ATOM 1096 C PHE A 70 0.560 1.059 3.575 1.00 0.00 C ATOM 1097 O PHE A 70 0.698 2.189 4.033 1.00 0.00 O ATOM 1098 CB PHE A 70 2.599 -0.218 2.938 1.00 0.00 C ATOM 1099 CG PHE A 70 3.745 0.628 3.420 1.00 0.00 C ATOM 1100 CD1 PHE A 70 3.795 1.067 4.732 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.777 0.974 2.563 1.00 0.00 C ATOM 1102 CE1 PHE A 70 4.852 1.836 5.181 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.837 1.742 3.005 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.875 2.174 4.316 1.00 0.00 C ATOM 0 H PHE A 70 2.655 2.215 1.949 1.00 0.00 H new ATOM 0 HA PHE A 70 0.779 -0.048 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.262 -0.854 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.956 -0.878 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.998 0.805 5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.753 0.639 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.878 2.172 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.635 2.004 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.702 2.775 4.664 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.302 0.145 4.045 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.211 0.368 5.187 1.00 0.00 C ATOM 1116 C HIS A 71 -2.669 0.074 4.804 1.00 0.00 C ATOM 1117 O HIS A 71 -3.090 -1.082 4.854 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.060 1.773 5.803 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.265 1.790 7.281 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.599 0.668 8.010 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -1.156 2.798 8.175 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -1.686 0.986 9.286 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -1.422 2.272 9.414 1.00 0.00 N ATOM 0 H HIS A 71 -0.391 -0.786 3.638 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.918 -0.340 5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.066 2.158 5.576 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.777 2.447 5.335 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.906 3.825 7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.932 0.309 10.090 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.416 2.791 10.292 1.00 0.00 H new ATOM 1132 N SER A 72 -3.440 1.101 4.420 1.00 0.00 N ATOM 1133 CA SER A 72 -4.842 0.917 4.035 1.00 0.00 C ATOM 1134 C SER A 72 -5.536 -0.136 4.901 1.00 0.00 C ATOM 1135 O SER A 72 -5.942 -1.188 4.408 1.00 0.00 O ATOM 1136 CB SER A 72 -4.940 0.525 2.557 1.00 0.00 C ATOM 1137 OG SER A 72 -5.773 1.426 1.847 1.00 0.00 O ATOM 0 H SER A 72 -3.115 2.066 4.368 1.00 0.00 H new ATOM 0 HA SER A 72 -5.352 1.867 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.945 0.517 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.336 -0.487 2.471 1.00 0.00 H new ATOM 0 HG SER A 72 -6.710 1.258 2.080 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.673 0.147 6.193 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.318 -0.794 7.096 1.00 0.00 C ATOM 1145 C ALA A 73 -6.625 -0.172 8.455 1.00 0.00 C ATOM 1146 O ALA A 73 -7.740 -0.302 8.962 1.00 0.00 O ATOM 1147 CB ALA A 73 -5.455 -2.034 7.266 1.00 0.00 C ATOM 0 H ALA A 73 -5.350 1.009 6.632 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.271 -1.075 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.948 -2.731 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.310 -2.512 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.487 -1.750 7.679 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.639 0.489 9.058 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.842 1.097 10.368 1.00 0.00 C ATOM 1155 C LEU A 74 -5.363 2.546 10.423 1.00 0.00 C ATOM 1156 O LEU A 74 -6.035 3.398 11.004 1.00 0.00 O ATOM 1157 CB LEU A 74 -5.132 0.272 11.445 1.00 0.00 C ATOM 1158 CG LEU A 74 -6.033 -0.219 12.579 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.218 -0.991 12.021 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -5.244 -1.080 13.553 1.00 0.00 C ATOM 0 H LEU A 74 -4.706 0.615 8.667 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.916 1.105 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.665 -0.592 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.330 0.873 11.873 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.412 0.649 13.119 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.849 -1.333 12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.798 -0.343 11.364 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.859 -1.852 11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.902 -1.420 14.353 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.836 -1.943 13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.429 -0.495 13.978 1.00 0.00 H new ATOM 1172 N SER A 75 -4.197 2.831 9.842 1.00 0.00 N ATOM 1173 CA SER A 75 -3.662 4.187 9.872 1.00 0.00 C ATOM 1174 C SER A 75 -3.615 4.693 11.312 1.00 0.00 C ATOM 1175 O SER A 75 -3.829 5.877 11.575 1.00 0.00 O ATOM 1176 CB SER A 75 -4.521 5.117 9.012 1.00 0.00 C ATOM 1177 OG SER A 75 -3.750 5.728 7.993 1.00 0.00 O ATOM 0 H SER A 75 -3.615 2.151 9.353 1.00 0.00 H new ATOM 0 HA SER A 75 -2.651 4.177 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.338 4.551 8.564 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.972 5.885 9.641 1.00 0.00 H new ATOM 0 HG SER A 75 -4.323 6.315 7.457 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.349 3.777 12.243 1.00 0.00 N ATOM 1184 CA GLN A 76 -3.295 4.120 13.658 1.00 0.00 C ATOM 1185 C GLN A 76 -2.051 3.553 14.341 1.00 0.00 C ATOM 1186 O GLN A 76 -2.156 2.878 15.361 1.00 0.00 O ATOM 1187 CB GLN A 76 -4.551 3.617 14.372 1.00 0.00 C ATOM 1188 CG GLN A 76 -5.714 4.594 14.328 1.00 0.00 C ATOM 1189 CD GLN A 76 -7.056 3.892 14.311 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -7.926 4.168 15.137 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -7.229 2.974 13.366 1.00 0.00 N ATOM 0 H GLN A 76 -3.168 2.794 12.040 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.244 5.207 13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.862 2.675 13.920 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.306 3.405 15.413 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.663 5.255 15.194 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.624 5.222 13.442 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.480 2.778 12.702 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.111 2.465 13.304 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.883 3.859 13.774 1.00 0.00 N ATOM 1201 CA VAL A 77 0.422 3.425 14.311 1.00 0.00 C ATOM 1202 C VAL A 77 0.908 2.105 13.711 1.00 0.00 C ATOM 1203 O VAL A 77 2.091 1.782 13.803 1.00 0.00 O ATOM 1204 CB VAL A 77 0.454 3.333 15.863 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.344 4.465 16.497 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -0.033 1.974 16.364 1.00 0.00 C ATOM 0 H VAL A 77 -0.808 4.418 12.924 1.00 0.00 H new ATOM 0 HA VAL A 77 1.108 4.215 14.007 1.00 0.00 H new ATOM 0 HB VAL A 77 1.495 3.438 16.169 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.304 4.375 17.583 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.081 5.423 16.196 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.381 4.409 16.166 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.006 1.953 17.453 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.059 1.811 16.034 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.607 1.188 15.963 1.00 0.00 H new ATOM 1216 N ARG A 78 0.011 1.349 13.094 1.00 0.00 N ATOM 1217 CA ARG A 78 0.387 0.077 12.478 1.00 0.00 C ATOM 1218 C ARG A 78 1.091 0.315 11.148 1.00 0.00 C ATOM 1219 O ARG A 78 1.873 -0.518 10.695 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.837 -0.824 12.296 1.00 0.00 C ATOM 1221 CG ARG A 78 -0.537 -2.120 11.558 1.00 0.00 C ATOM 1222 CD ARG A 78 -1.804 -2.915 11.277 1.00 0.00 C ATOM 1223 NE ARG A 78 -1.848 -3.402 9.901 1.00 0.00 N ATOM 1224 CZ ARG A 78 -2.409 -2.740 8.890 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -3.010 -1.576 9.097 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -2.376 -3.252 7.667 1.00 0.00 N ATOM 0 H ARG A 78 -0.976 1.589 13.005 1.00 0.00 H new ATOM 0 HA ARG A 78 1.082 -0.434 13.145 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.251 -1.062 13.276 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.604 -0.274 11.750 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.033 -1.895 10.618 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.149 -2.726 12.151 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.862 -3.760 11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.675 -2.289 11.468 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.422 -4.307 9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.046 -1.180 10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.437 -1.076 8.317 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.922 -4.150 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.805 -2.747 6.891 1.00 0.00 H new ATOM 1240 N GLY A 79 0.811 1.464 10.534 1.00 0.00 N ATOM 1241 CA GLY A 79 1.435 1.805 9.268 1.00 0.00 C ATOM 1242 C GLY A 79 2.912 1.455 9.251 1.00 0.00 C ATOM 1243 O GLY A 79 3.366 0.729 8.366 1.00 0.00 O ATOM 0 H GLY A 79 0.162 2.164 10.893 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.928 1.278 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.313 2.871 9.079 1.00 0.00 H new ATOM 1247 N PRO A 80 3.693 1.933 10.241 1.00 0.00 N ATOM 1248 CA PRO A 80 5.116 1.619 10.324 1.00 0.00 C ATOM 1249 C PRO A 80 5.327 0.114 10.347 1.00 0.00 C ATOM 1250 O PRO A 80 6.304 -0.393 9.795 1.00 0.00 O ATOM 1251 CB PRO A 80 5.571 2.259 11.642 1.00 0.00 C ATOM 1252 CG PRO A 80 4.316 2.539 12.396 1.00 0.00 C ATOM 1253 CD PRO A 80 3.256 2.781 11.360 1.00 0.00 C ATOM 0 HA PRO A 80 5.680 1.993 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.224 1.588 12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.134 3.175 11.461 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.050 1.699 13.037 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.435 3.408 13.043 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.267 2.498 11.720 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.202 3.832 11.074 1.00 0.00 H new ATOM 1261 N THR A 81 4.381 -0.608 10.960 1.00 0.00 N ATOM 1262 CA THR A 81 4.460 -2.061 11.008 1.00 0.00 C ATOM 1263 C THR A 81 4.465 -2.602 9.585 1.00 0.00 C ATOM 1264 O THR A 81 5.221 -3.515 9.250 1.00 0.00 O ATOM 1265 CB THR A 81 3.281 -2.638 11.791 1.00 0.00 C ATOM 1266 OG1 THR A 81 2.870 -1.743 12.809 1.00 0.00 O ATOM 1267 CG2 THR A 81 3.590 -3.966 12.446 1.00 0.00 C ATOM 0 H THR A 81 3.564 -0.210 11.423 1.00 0.00 H new ATOM 0 HA THR A 81 5.378 -2.357 11.516 1.00 0.00 H new ATOM 0 HB THR A 81 2.492 -2.789 11.055 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.354 -2.231 13.484 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.711 -4.319 12.985 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.864 -4.694 11.682 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.418 -3.844 13.144 1.00 0.00 H new ATOM 1275 N CYS A 82 3.632 -1.992 8.740 1.00 0.00 N ATOM 1276 CA CYS A 82 3.561 -2.371 7.339 1.00 0.00 C ATOM 1277 C CYS A 82 4.913 -2.104 6.696 1.00 0.00 C ATOM 1278 O CYS A 82 5.419 -2.907 5.912 1.00 0.00 O ATOM 1279 CB CYS A 82 2.462 -1.582 6.625 1.00 0.00 C ATOM 1280 SG CYS A 82 0.828 -1.747 7.380 1.00 0.00 S ATOM 0 H CYS A 82 3.001 -1.236 9.006 1.00 0.00 H new ATOM 0 HA CYS A 82 3.317 -3.430 7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.738 -0.528 6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.407 -1.913 5.588 1.00 0.00 H new ATOM 0 HG CYS A 82 0.312 -0.567 7.559 1.00 0.00 H new ATOM 1286 N ALA A 83 5.511 -0.977 7.082 1.00 0.00 N ATOM 1287 CA ALA A 83 6.830 -0.614 6.592 1.00 0.00 C ATOM 1288 C ALA A 83 7.814 -1.689 7.014 1.00 0.00 C ATOM 1289 O ALA A 83 8.751 -2.018 6.286 1.00 0.00 O ATOM 1290 CB ALA A 83 7.250 0.748 7.127 1.00 0.00 C ATOM 0 H ALA A 83 5.100 -0.305 7.730 1.00 0.00 H new ATOM 0 HA ALA A 83 6.811 -0.542 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.240 0.999 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.535 1.503 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.276 0.719 8.216 1.00 0.00 H new ATOM 1296 N ARG A 84 7.557 -2.271 8.187 1.00 0.00 N ATOM 1297 CA ARG A 84 8.383 -3.350 8.693 1.00 0.00 C ATOM 1298 C ARG A 84 8.346 -4.485 7.686 1.00 0.00 C ATOM 1299 O ARG A 84 9.342 -5.168 7.459 1.00 0.00 O ATOM 1300 CB ARG A 84 7.891 -3.823 10.064 1.00 0.00 C ATOM 1301 CG ARG A 84 8.972 -3.807 11.132 1.00 0.00 C ATOM 1302 CD ARG A 84 8.700 -4.832 12.223 1.00 0.00 C ATOM 1303 NE ARG A 84 8.768 -4.242 13.558 1.00 0.00 N ATOM 1304 CZ ARG A 84 7.780 -3.541 14.111 1.00 0.00 C ATOM 1305 NH1 ARG A 84 6.647 -3.341 13.449 1.00 0.00 N ATOM 1306 NH2 ARG A 84 7.925 -3.037 15.330 1.00 0.00 N ATOM 0 H ARG A 84 6.783 -2.008 8.798 1.00 0.00 H new ATOM 0 HA ARG A 84 9.407 -3.000 8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.065 -3.188 10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.497 -4.835 9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.940 -4.011 10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.032 -2.812 11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.714 -5.271 12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.425 -5.643 12.148 1.00 0.00 H new ATOM 0 HE ARG A 84 9.623 -4.375 14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.530 -3.725 12.511 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.894 -2.803 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.793 -3.186 15.844 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.168 -2.500 15.753 1.00 0.00 H new ATOM 1320 N ARG A 85 7.186 -4.650 7.047 1.00 0.00 N ATOM 1321 CA ARG A 85 7.034 -5.668 6.019 1.00 0.00 C ATOM 1322 C ARG A 85 7.955 -5.326 4.858 1.00 0.00 C ATOM 1323 O ARG A 85 8.582 -6.202 4.267 1.00 0.00 O ATOM 1324 CB ARG A 85 5.582 -5.757 5.546 1.00 0.00 C ATOM 1325 CG ARG A 85 4.577 -5.795 6.683 1.00 0.00 C ATOM 1326 CD ARG A 85 4.082 -7.209 6.946 1.00 0.00 C ATOM 1327 NE ARG A 85 3.398 -7.316 8.234 1.00 0.00 N ATOM 1328 CZ ARG A 85 2.468 -8.228 8.509 1.00 0.00 C ATOM 1329 NH1 ARG A 85 2.103 -9.117 7.593 1.00 0.00 N ATOM 1330 NH2 ARG A 85 1.900 -8.251 9.708 1.00 0.00 N ATOM 0 H ARG A 85 6.349 -4.095 7.224 1.00 0.00 H new ATOM 0 HA ARG A 85 7.303 -6.641 6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.363 -4.902 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.461 -6.651 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.035 -5.395 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.731 -5.151 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.403 -7.510 6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.926 -7.899 6.924 1.00 0.00 H new ATOM 0 HE ARG A 85 3.649 -6.652 8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.536 -9.105 6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.390 -9.812 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.176 -7.571 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.187 -8.949 9.921 1.00 0.00 H new ATOM 1344 N LEU A 86 8.068 -4.026 4.572 1.00 0.00 N ATOM 1345 CA LEU A 86 8.961 -3.568 3.516 1.00 0.00 C ATOM 1346 C LEU A 86 10.371 -4.032 3.858 1.00 0.00 C ATOM 1347 O LEU A 86 11.141 -4.441 2.988 1.00 0.00 O ATOM 1348 CB LEU A 86 8.915 -2.042 3.388 1.00 0.00 C ATOM 1349 CG LEU A 86 8.949 -1.511 1.954 1.00 0.00 C ATOM 1350 CD1 LEU A 86 10.151 -2.067 1.206 1.00 0.00 C ATOM 1351 CD2 LEU A 86 7.658 -1.858 1.228 1.00 0.00 C ATOM 0 H LEU A 86 7.558 -3.285 5.052 1.00 0.00 H new ATOM 0 HA LEU A 86 8.648 -3.985 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.008 -1.679 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.759 -1.621 3.935 1.00 0.00 H new ATOM 0 HG LEU A 86 9.042 -0.426 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.158 -1.678 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.067 -1.767 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.091 -3.155 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.699 -1.473 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.535 -2.941 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.814 -1.409 1.752 1.00 0.00 H new ATOM 1363 N VAL A 87 10.666 -4.016 5.158 1.00 0.00 N ATOM 1364 CA VAL A 87 11.942 -4.488 5.656 1.00 0.00 C ATOM 1365 C VAL A 87 12.075 -5.958 5.306 1.00 0.00 C ATOM 1366 O VAL A 87 13.156 -6.435 4.973 1.00 0.00 O ATOM 1367 CB VAL A 87 12.086 -4.300 7.179 1.00 0.00 C ATOM 1368 CG1 VAL A 87 13.508 -4.607 7.623 1.00 0.00 C ATOM 1369 CG2 VAL A 87 11.690 -2.887 7.584 1.00 0.00 C ATOM 0 H VAL A 87 10.031 -3.679 5.881 1.00 0.00 H new ATOM 0 HA VAL A 87 12.732 -3.900 5.189 1.00 0.00 H new ATOM 0 HB VAL A 87 11.414 -4.999 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.590 -4.469 8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.754 -5.638 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.200 -3.934 7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.798 -2.774 8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.335 -2.169 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.653 -2.705 7.302 1.00 0.00 H new ATOM 1379 N ASN A 88 10.942 -6.668 5.353 1.00 0.00 N ATOM 1380 CA ASN A 88 10.916 -8.081 5.004 1.00 0.00 C ATOM 1381 C ASN A 88 11.426 -8.239 3.581 1.00 0.00 C ATOM 1382 O ASN A 88 12.057 -9.242 3.245 1.00 0.00 O ATOM 1383 CB ASN A 88 9.490 -8.659 5.160 1.00 0.00 C ATOM 1384 CG ASN A 88 8.782 -8.954 3.837 1.00 0.00 C ATOM 1385 OD1 ASN A 88 8.838 -8.162 2.895 1.00 0.00 O ATOM 1386 ND2 ASN A 88 8.102 -10.098 3.765 1.00 0.00 N ATOM 0 H ASN A 88 10.038 -6.284 5.629 1.00 0.00 H new ATOM 0 HA ASN A 88 11.562 -8.641 5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 88 9.545 -9.579 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 88 8.886 -7.955 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.605 -10.343 2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.079 -10.729 4.566 1.00 0.00 H new ATOM 1393 N TYR A 89 11.189 -7.220 2.752 1.00 0.00 N ATOM 1394 CA TYR A 89 11.683 -7.259 1.385 1.00 0.00 C ATOM 1395 C TYR A 89 13.179 -7.098 1.399 1.00 0.00 C ATOM 1396 O TYR A 89 13.904 -7.818 0.713 1.00 0.00 O ATOM 1397 CB TYR A 89 11.076 -6.166 0.497 1.00 0.00 C ATOM 1398 CG TYR A 89 11.575 -6.259 -0.932 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.865 -5.860 -1.260 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.780 -6.796 -1.933 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.345 -5.985 -2.551 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.251 -6.936 -3.228 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.538 -6.526 -3.530 1.00 0.00 C ATOM 1404 OH TYR A 89 13.023 -6.671 -4.810 1.00 0.00 O ATOM 0 H TYR A 89 10.670 -6.378 3.001 1.00 0.00 H new ATOM 0 HA TYR A 89 11.389 -8.221 0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.989 -6.250 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.324 -5.186 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.503 -5.445 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.774 -7.111 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.347 -5.661 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.620 -7.361 -3.995 1.00 0.00 H new ATOM 0 HH TYR A 89 12.936 -7.606 -5.089 1.00 0.00 H new ATOM 1414 N LEU A 90 13.641 -6.146 2.195 1.00 0.00 N ATOM 1415 CA LEU A 90 15.059 -5.901 2.297 1.00 0.00 C ATOM 1416 C LEU A 90 15.759 -7.193 2.708 1.00 0.00 C ATOM 1417 O LEU A 90 16.837 -7.520 2.222 1.00 0.00 O ATOM 1418 CB LEU A 90 15.325 -4.735 3.275 1.00 0.00 C ATOM 1419 CG LEU A 90 16.546 -4.843 4.206 1.00 0.00 C ATOM 1420 CD1 LEU A 90 16.402 -6.002 5.183 1.00 0.00 C ATOM 1421 CD2 LEU A 90 17.835 -4.964 3.407 1.00 0.00 C ATOM 0 H LEU A 90 13.057 -5.540 2.771 1.00 0.00 H new ATOM 0 HA LEU A 90 15.467 -5.597 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.431 -3.823 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.439 -4.612 3.898 1.00 0.00 H new ATOM 0 HG LEU A 90 16.594 -3.923 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.282 -6.048 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.513 -5.853 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.308 -6.936 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.681 -5.039 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.793 -5.856 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.955 -4.084 2.775 1.00 0.00 H new ATOM 1433 N ASP A 91 15.101 -7.945 3.580 1.00 0.00 N ATOM 1434 CA ASP A 91 15.622 -9.222 4.035 1.00 0.00 C ATOM 1435 C ASP A 91 15.587 -10.235 2.896 1.00 0.00 C ATOM 1436 O ASP A 91 16.407 -11.151 2.836 1.00 0.00 O ATOM 1437 CB ASP A 91 14.799 -9.739 5.219 1.00 0.00 C ATOM 1438 CG ASP A 91 15.568 -10.736 6.064 1.00 0.00 C ATOM 1439 OD1 ASP A 91 16.559 -10.328 6.707 1.00 0.00 O ATOM 1440 OD2 ASP A 91 15.183 -11.924 6.081 1.00 0.00 O ATOM 0 H ASP A 91 14.201 -7.689 3.987 1.00 0.00 H new ATOM 0 HA ASP A 91 16.654 -9.084 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.494 -8.898 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.888 -10.208 4.848 1.00 0.00 H new ATOM 1445 N GLU A 92 14.619 -10.064 1.995 1.00 0.00 N ATOM 1446 CA GLU A 92 14.458 -10.960 0.859 1.00 0.00 C ATOM 1447 C GLU A 92 15.574 -10.787 -0.169 1.00 0.00 C ATOM 1448 O GLU A 92 16.397 -11.683 -0.357 1.00 0.00 O ATOM 1449 CB GLU A 92 13.101 -10.722 0.195 1.00 0.00 C ATOM 1450 CG GLU A 92 12.047 -11.739 0.592 1.00 0.00 C ATOM 1451 CD GLU A 92 11.432 -12.442 -0.603 1.00 0.00 C ATOM 1452 OE1 GLU A 92 12.140 -13.244 -1.249 1.00 0.00 O ATOM 1453 OE2 GLU A 92 10.242 -12.193 -0.892 1.00 0.00 O ATOM 0 H GLU A 92 13.934 -9.309 2.034 1.00 0.00 H new ATOM 0 HA GLU A 92 14.511 -11.981 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.748 -9.724 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.226 -10.744 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.495 -12.481 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.261 -11.239 1.158 1.00 0.00 H new ATOM 1460 N LYS A 93 15.586 -9.643 -0.851 1.00 0.00 N ATOM 1461 CA LYS A 93 16.592 -9.386 -1.880 1.00 0.00 C ATOM 1462 C LYS A 93 17.528 -8.239 -1.501 1.00 0.00 C ATOM 1463 O LYS A 93 17.893 -7.428 -2.352 1.00 0.00 O ATOM 1464 CB LYS A 93 15.909 -9.079 -3.212 1.00 0.00 C ATOM 1465 CG LYS A 93 15.733 -10.299 -4.102 1.00 0.00 C ATOM 1466 CD LYS A 93 17.070 -10.934 -4.449 1.00 0.00 C ATOM 1467 CE LYS A 93 16.978 -11.767 -5.717 1.00 0.00 C ATOM 1468 NZ LYS A 93 17.740 -13.041 -5.603 1.00 0.00 N ATOM 0 H LYS A 93 14.917 -8.886 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 93 17.199 -10.287 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.931 -8.639 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.494 -8.331 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.102 -11.031 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.217 -10.011 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.822 -10.155 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.401 -11.563 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.932 -11.988 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.360 -11.190 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.651 -13.579 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.743 -12.831 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.359 -13.604 -4.816 1.00 0.00 H new ATOM 1482 N LYS A 94 17.921 -8.188 -0.229 1.00 0.00 N ATOM 1483 CA LYS A 94 18.832 -7.151 0.273 1.00 0.00 C ATOM 1484 C LYS A 94 18.636 -5.813 -0.441 1.00 0.00 C ATOM 1485 O LYS A 94 19.204 -5.577 -1.506 1.00 0.00 O ATOM 1486 CB LYS A 94 20.287 -7.610 0.133 1.00 0.00 C ATOM 1487 CG LYS A 94 20.688 -7.970 -1.290 1.00 0.00 C ATOM 1488 CD LYS A 94 22.060 -7.414 -1.640 1.00 0.00 C ATOM 1489 CE LYS A 94 22.084 -6.824 -3.041 1.00 0.00 C ATOM 1490 NZ LYS A 94 22.775 -5.506 -3.077 1.00 0.00 N ATOM 0 H LYS A 94 17.622 -8.857 0.481 1.00 0.00 H new ATOM 0 HA LYS A 94 18.596 -6.998 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.943 -6.819 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.447 -8.476 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.694 -9.054 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.947 -7.580 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.338 -6.647 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.804 -8.207 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.586 -7.516 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.063 -6.708 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.770 -5.138 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.281 -4.838 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.757 -5.620 -2.755 1.00 0.00 H new ATOM 1504 N GLU A 95 17.828 -4.945 0.159 1.00 0.00 N ATOM 1505 CA GLU A 95 17.545 -3.626 -0.402 1.00 0.00 C ATOM 1506 C GLU A 95 16.901 -3.740 -1.786 1.00 0.00 C ATOM 1507 O GLU A 95 16.265 -4.748 -2.094 1.00 0.00 O ATOM 1508 CB GLU A 95 18.823 -2.767 -0.441 1.00 0.00 C ATOM 1509 CG GLU A 95 19.727 -3.007 -1.645 1.00 0.00 C ATOM 1510 CD GLU A 95 20.199 -1.715 -2.284 1.00 0.00 C ATOM 1511 OE1 GLU A 95 19.376 -0.784 -2.417 1.00 0.00 O ATOM 1512 OE2 GLU A 95 21.389 -1.635 -2.653 1.00 0.00 O ATOM 0 H GLU A 95 17.353 -5.133 1.042 1.00 0.00 H new ATOM 0 HA GLU A 95 16.827 -3.126 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.536 -1.716 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.396 -2.954 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.593 -3.592 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.190 -3.600 -2.386 1.00 0.00 H new ATOM 1519 N ASP A 96 17.056 -2.697 -2.605 1.00 0.00 N ATOM 1520 CA ASP A 96 16.479 -2.662 -3.952 1.00 0.00 C ATOM 1521 C ASP A 96 15.054 -2.121 -3.899 1.00 0.00 C ATOM 1522 O ASP A 96 14.094 -2.877 -3.752 1.00 0.00 O ATOM 1523 CB ASP A 96 16.495 -4.052 -4.603 1.00 0.00 C ATOM 1524 CG ASP A 96 16.629 -3.983 -6.112 1.00 0.00 C ATOM 1525 OD1 ASP A 96 17.598 -3.361 -6.594 1.00 0.00 O ATOM 1526 OD2 ASP A 96 15.766 -4.555 -6.811 1.00 0.00 O ATOM 0 H ASP A 96 17.581 -1.859 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 96 17.091 -1.999 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.322 -4.632 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.577 -4.581 -4.346 1.00 0.00 H new ATOM 1531 N THR A 97 14.932 -0.801 -4.005 1.00 0.00 N ATOM 1532 CA THR A 97 13.634 -0.136 -3.954 1.00 0.00 C ATOM 1533 C THR A 97 12.667 -0.698 -4.992 1.00 0.00 C ATOM 1534 O THR A 97 11.686 -1.357 -4.647 1.00 0.00 O ATOM 1535 CB THR A 97 13.805 1.370 -4.166 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.107 1.787 -3.790 1.00 0.00 O ATOM 1537 CG2 THR A 97 12.814 2.201 -3.382 1.00 0.00 C ATOM 0 H THR A 97 15.722 -0.167 -4.128 1.00 0.00 H new ATOM 0 HA THR A 97 13.209 -0.321 -2.967 1.00 0.00 H new ATOM 0 HB THR A 97 13.631 1.532 -5.230 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.698 1.757 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.991 3.259 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.800 1.940 -3.685 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.936 2.004 -2.317 1.00 0.00 H new ATOM 1545 N GLY A 98 12.939 -0.422 -6.263 1.00 0.00 N ATOM 1546 CA GLY A 98 12.073 -0.897 -7.326 1.00 0.00 C ATOM 1547 C GLY A 98 11.000 0.114 -7.677 1.00 0.00 C ATOM 1548 O GLY A 98 10.963 0.627 -8.796 1.00 0.00 O ATOM 0 H GLY A 98 13.743 0.122 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.671 -1.114 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.604 -1.833 -7.021 1.00 0.00 H new ATOM 1552 N ILE A 99 10.131 0.409 -6.714 1.00 0.00 N ATOM 1553 CA ILE A 99 9.059 1.375 -6.927 1.00 0.00 C ATOM 1554 C ILE A 99 9.615 2.768 -7.118 1.00 0.00 C ATOM 1555 O ILE A 99 10.545 3.174 -6.420 1.00 0.00 O ATOM 1556 CB ILE A 99 8.065 1.437 -5.746 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.688 2.134 -4.533 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.587 0.058 -5.364 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.940 1.454 -4.022 1.00 0.00 C ATOM 0 H ILE A 99 10.148 -0.006 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 99 8.536 1.034 -7.820 1.00 0.00 H new ATOM 0 HB ILE A 99 7.206 2.022 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.926 3.164 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.952 2.174 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.889 0.133 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.087 -0.403 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.440 -0.554 -5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.327 2.002 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.704 0.432 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.693 1.438 -4.810 1.00 0.00 H new ATOM 1571 N LYS A 100 9.018 3.517 -8.031 1.00 0.00 N ATOM 1572 CA LYS A 100 9.443 4.886 -8.256 1.00 0.00 C ATOM 1573 C LYS A 100 9.558 5.608 -6.913 1.00 0.00 C ATOM 1574 O LYS A 100 10.526 6.329 -6.668 1.00 0.00 O ATOM 1575 CB LYS A 100 8.450 5.612 -9.168 1.00 0.00 C ATOM 1576 CG LYS A 100 9.110 6.321 -10.341 1.00 0.00 C ATOM 1577 CD LYS A 100 8.795 7.810 -10.350 1.00 0.00 C ATOM 1578 CE LYS A 100 10.037 8.642 -10.635 1.00 0.00 C ATOM 1579 NZ LYS A 100 9.796 9.653 -11.702 1.00 0.00 N ATOM 0 H LYS A 100 8.247 3.204 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 100 10.416 4.883 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.726 4.892 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.894 6.341 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.189 6.178 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.771 5.872 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.036 8.018 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.375 8.100 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.353 9.146 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.853 7.985 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.666 10.199 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.519 9.171 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.035 10.296 -11.405 1.00 0.00 H new ATOM 1593 N ASN A 101 8.565 5.401 -6.039 1.00 0.00 N ATOM 1594 CA ASN A 101 8.577 6.030 -4.721 1.00 0.00 C ATOM 1595 C ASN A 101 7.762 5.257 -3.667 1.00 0.00 C ATOM 1596 O ASN A 101 6.569 5.011 -3.842 1.00 0.00 O ATOM 1597 CB ASN A 101 8.048 7.463 -4.828 1.00 0.00 C ATOM 1598 CG ASN A 101 9.035 8.488 -4.300 1.00 0.00 C ATOM 1599 OD1 ASN A 101 9.162 8.679 -3.090 1.00 0.00 O ATOM 1600 ND2 ASN A 101 9.739 9.158 -5.206 1.00 0.00 N ATOM 0 H ASN A 101 7.754 4.810 -6.221 1.00 0.00 H new ATOM 0 HA ASN A 101 9.613 6.026 -4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.820 7.686 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.113 7.544 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.415 9.861 -4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.603 8.969 -6.199 1.00 0.00 H new ATOM 1607 N ILE A 102 8.414 4.930 -2.548 1.00 0.00 N ATOM 1608 CA ILE A 102 7.752 4.251 -1.427 1.00 0.00 C ATOM 1609 C ILE A 102 7.049 5.290 -0.548 1.00 0.00 C ATOM 1610 O ILE A 102 7.672 6.248 -0.094 1.00 0.00 O ATOM 1611 CB ILE A 102 8.739 3.454 -0.538 1.00 0.00 C ATOM 1612 CG1 ILE A 102 10.096 4.170 -0.443 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.895 2.027 -1.043 1.00 0.00 C ATOM 1614 CD1 ILE A 102 11.083 3.799 -1.534 1.00 0.00 C ATOM 0 H ILE A 102 9.403 5.125 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 102 7.043 3.545 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 102 8.324 3.403 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.927 5.246 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.543 3.946 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.593 1.488 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.927 1.527 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.277 2.042 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 102 12.011 4.351 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.287 2.729 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.661 4.050 -2.507 1.00 0.00 H new ATOM 1626 N MET A 103 5.748 5.114 -0.337 1.00 0.00 N ATOM 1627 CA MET A 103 4.974 6.064 0.457 1.00 0.00 C ATOM 1628 C MET A 103 3.927 5.386 1.348 1.00 0.00 C ATOM 1629 O MET A 103 3.684 4.188 1.251 1.00 0.00 O ATOM 1630 CB MET A 103 4.293 7.074 -0.467 1.00 0.00 C ATOM 1631 CG MET A 103 5.270 8.003 -1.168 1.00 0.00 C ATOM 1632 SD MET A 103 4.447 9.319 -2.086 1.00 0.00 S ATOM 1633 CE MET A 103 4.029 8.466 -3.604 1.00 0.00 C ATOM 0 H MET A 103 5.210 4.328 -0.702 1.00 0.00 H new ATOM 0 HA MET A 103 5.675 6.570 1.121 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.713 6.536 -1.217 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.589 7.670 0.114 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.938 8.445 -0.429 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.890 7.422 -1.851 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.281 9.041 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.923 8.357 -4.218 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.628 7.480 -3.369 1.00 0.00 H new ATOM 1643 N ILE A 104 3.318 6.196 2.214 1.00 0.00 N ATOM 1644 CA ILE A 104 2.283 5.738 3.133 1.00 0.00 C ATOM 1645 C ILE A 104 1.069 6.658 3.033 1.00 0.00 C ATOM 1646 O ILE A 104 1.192 7.808 2.612 1.00 0.00 O ATOM 1647 CB ILE A 104 2.782 5.704 4.591 1.00 0.00 C ATOM 1648 CG1 ILE A 104 3.992 4.780 4.712 1.00 0.00 C ATOM 1649 CG2 ILE A 104 1.667 5.252 5.526 1.00 0.00 C ATOM 1650 CD1 ILE A 104 4.521 4.653 6.125 1.00 0.00 C ATOM 0 H ILE A 104 3.531 7.190 2.296 1.00 0.00 H new ATOM 0 HA ILE A 104 2.012 4.721 2.849 1.00 0.00 H new ATOM 0 HB ILE A 104 3.083 6.711 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.721 3.790 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.788 5.152 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.037 5.234 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.829 5.945 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.336 4.253 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.380 3.982 6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.824 5.634 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.740 4.252 6.771 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.102 6.155 3.409 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.321 6.955 3.340 1.00 0.00 C ATOM 1664 C LEU A 105 -1.708 7.510 4.708 1.00 0.00 C ATOM 1665 O LEU A 105 -1.622 6.823 5.724 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.487 6.157 2.732 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.679 4.720 3.238 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -1.568 3.811 2.735 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -2.762 4.685 4.755 1.00 0.00 C ATOM 0 H LEU A 105 -0.233 5.207 3.761 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.109 7.798 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.409 6.708 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.348 6.121 1.652 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.623 4.348 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.729 2.800 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.572 3.801 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.606 4.181 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.898 3.656 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.841 5.085 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.607 5.289 5.087 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.134 8.768 4.719 1.00 0.00 N ATOM 1682 CA GLU A 106 -2.543 9.429 5.952 1.00 0.00 C ATOM 1683 C GLU A 106 -4.019 9.166 6.227 1.00 0.00 C ATOM 1684 O GLU A 106 -4.457 9.148 7.377 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.286 10.934 5.863 1.00 0.00 C ATOM 1686 CG GLU A 106 -0.955 11.289 5.217 1.00 0.00 C ATOM 1687 CD GLU A 106 -0.623 12.763 5.337 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -0.771 13.317 6.447 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -0.212 13.365 4.322 1.00 0.00 O ATOM 0 H GLU A 106 -2.205 9.352 3.885 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.953 9.023 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.091 11.398 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.318 11.359 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.162 10.703 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.981 11.011 4.163 1.00 0.00 H new ATOM 1696 N ARG A 107 -4.778 8.959 5.156 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.205 8.688 5.263 1.00 0.00 C ATOM 1698 C ARG A 107 -6.599 7.552 4.324 1.00 0.00 C ATOM 1699 O ARG A 107 -7.485 7.703 3.483 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.010 9.952 4.939 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.512 9.792 5.124 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.855 9.197 6.482 1.00 0.00 C ATOM 1703 NE ARG A 107 -8.456 10.074 7.580 1.00 0.00 N ATOM 1704 CZ ARG A 107 -9.157 11.136 7.972 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -10.288 11.457 7.358 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -8.725 11.878 8.982 1.00 0.00 N ATOM 0 H ARG A 107 -4.425 8.974 4.199 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.428 8.386 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.660 10.766 5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.810 10.244 3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.996 10.763 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.909 9.152 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.928 9.013 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.360 8.232 6.591 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.590 9.860 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.625 10.889 6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.820 12.272 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.856 11.635 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.261 12.692 9.283 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.928 6.412 4.474 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.214 5.257 3.639 1.00 0.00 C ATOM 1722 C GLY A 108 -7.570 4.647 3.941 1.00 0.00 C ATOM 1723 O GLY A 108 -7.655 3.489 4.349 1.00 0.00 O ATOM 0 H GLY A 108 -5.189 6.268 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.177 5.552 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.439 4.505 3.786 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.629 5.440 3.755 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.003 5.005 4.014 1.00 0.00 C ATOM 1729 C PHE A 109 -10.084 4.107 5.253 1.00 0.00 C ATOM 1730 O PHE A 109 -10.937 3.225 5.348 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.592 4.321 2.763 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.555 2.817 2.770 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.354 2.134 2.683 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -11.731 2.088 2.859 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -9.324 0.752 2.688 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -11.708 0.708 2.863 1.00 0.00 C ATOM 1737 CZ PHE A 109 -10.504 0.038 2.779 1.00 0.00 C ATOM 0 H PHE A 109 -8.557 6.401 3.421 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.608 5.885 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -11.628 4.641 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -10.050 4.676 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -8.429 2.687 2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -12.676 2.606 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -8.380 0.231 2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -12.632 0.153 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.484 -1.042 2.784 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.186 4.355 6.207 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.149 3.586 7.442 1.00 0.00 C ATOM 1749 C ASN A 110 -10.400 3.842 8.266 1.00 0.00 C ATOM 1750 O ASN A 110 -10.913 2.945 8.925 1.00 0.00 O ATOM 1751 CB ASN A 110 -7.900 3.933 8.256 1.00 0.00 C ATOM 1752 CG ASN A 110 -7.712 5.428 8.423 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -7.862 6.194 7.473 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -7.378 5.850 9.637 1.00 0.00 N ATOM 0 H ASN A 110 -8.476 5.084 6.144 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.112 2.528 7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.970 3.467 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.022 3.512 7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.236 6.845 9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.264 5.179 10.397 1.00 0.00 H new ATOM 1761 N GLY A 111 -10.892 5.070 8.211 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.089 5.415 8.938 1.00 0.00 C ATOM 1763 C GLY A 111 -13.295 4.692 8.388 1.00 0.00 C ATOM 1764 O GLY A 111 -14.145 4.223 9.141 1.00 0.00 O ATOM 0 H GLY A 111 -10.481 5.833 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.962 5.165 9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.252 6.491 8.884 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.370 4.602 7.061 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.486 3.926 6.416 1.00 0.00 C ATOM 1770 C TRP A 112 -14.459 2.426 6.694 1.00 0.00 C ATOM 1771 O TRP A 112 -15.451 1.846 7.127 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.472 4.170 4.904 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.690 3.636 4.205 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.527 2.650 4.649 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -16.210 4.060 2.940 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -17.526 2.433 3.746 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -17.360 3.285 2.683 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -15.817 5.016 2.001 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -18.117 3.441 1.524 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -16.570 5.170 0.851 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -17.708 4.386 0.622 1.00 0.00 C ATOM 0 H TRP A 112 -12.676 4.986 6.419 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.403 4.341 6.834 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.394 5.241 4.716 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.583 3.706 4.476 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.413 2.118 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -18.275 1.748 3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -14.941 5.624 2.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -18.995 2.838 1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -16.276 5.907 0.118 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -18.275 4.530 -0.286 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.329 1.790 6.450 1.00 0.00 N ATOM 1793 CA GLU A 113 -13.231 0.359 6.686 1.00 0.00 C ATOM 1794 C GLU A 113 -13.408 0.065 8.171 1.00 0.00 C ATOM 1795 O GLU A 113 -14.200 -0.793 8.563 1.00 0.00 O ATOM 1796 CB GLU A 113 -11.879 -0.172 6.202 1.00 0.00 C ATOM 1797 CG GLU A 113 -11.629 -1.628 6.556 1.00 0.00 C ATOM 1798 CD GLU A 113 -11.040 -1.799 7.943 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -10.003 -1.164 8.229 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -11.617 -2.565 8.743 1.00 0.00 O ATOM 0 H GLU A 113 -12.480 2.230 6.095 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.020 -0.143 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.820 -0.056 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.085 0.438 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.567 -2.179 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.953 -2.065 5.822 1.00 0.00 H new ATOM 1807 N ALA A 114 -12.655 0.790 8.986 1.00 0.00 N ATOM 1808 CA ALA A 114 -12.697 0.633 10.433 1.00 0.00 C ATOM 1809 C ALA A 114 -14.034 1.066 11.024 1.00 0.00 C ATOM 1810 O ALA A 114 -14.629 0.339 11.818 1.00 0.00 O ATOM 1811 CB ALA A 114 -11.577 1.433 11.070 1.00 0.00 C ATOM 0 H ALA A 114 -11.999 1.502 8.664 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.570 -0.428 10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -11.613 1.312 12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.617 1.076 10.697 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -11.694 2.487 10.819 1.00 0.00 H new ATOM 1817 N SER A 115 -14.499 2.261 10.657 1.00 0.00 N ATOM 1818 CA SER A 115 -15.761 2.765 11.200 1.00 0.00 C ATOM 1819 C SER A 115 -16.641 3.417 10.139 1.00 0.00 C ATOM 1820 O SER A 115 -17.338 4.394 10.412 1.00 0.00 O ATOM 1821 CB SER A 115 -15.493 3.758 12.333 1.00 0.00 C ATOM 1822 OG SER A 115 -16.701 4.317 12.818 1.00 0.00 O ATOM 0 H SER A 115 -14.032 2.887 10.000 1.00 0.00 H new ATOM 0 HA SER A 115 -16.304 1.902 11.585 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.970 3.254 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.838 4.553 11.977 1.00 0.00 H new ATOM 0 HG SER A 115 -17.145 4.811 12.098 1.00 0.00 H new ATOM 1828 N GLY A 116 -16.627 2.856 8.942 1.00 0.00 N ATOM 1829 CA GLY A 116 -17.453 3.379 7.869 1.00 0.00 C ATOM 1830 C GLY A 116 -18.636 2.479 7.591 1.00 0.00 C ATOM 1831 O GLY A 116 -19.776 2.940 7.582 1.00 0.00 O ATOM 0 H GLY A 116 -16.059 2.047 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.807 4.375 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.853 3.483 6.965 1.00 0.00 H new ATOM 1835 N LYS A 117 -18.342 1.185 7.395 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.352 0.140 7.139 1.00 0.00 C ATOM 1837 C LYS A 117 -19.382 -0.338 5.673 1.00 0.00 C ATOM 1838 O LYS A 117 -18.969 -1.462 5.388 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.761 0.567 7.590 1.00 0.00 C ATOM 1840 CG LYS A 117 -21.880 -0.285 7.003 1.00 0.00 C ATOM 1841 CD LYS A 117 -22.840 -0.771 8.078 1.00 0.00 C ATOM 1842 CE LYS A 117 -22.128 -1.621 9.119 1.00 0.00 C ATOM 1843 NZ LYS A 117 -23.074 -2.500 9.861 1.00 0.00 N ATOM 0 H LYS A 117 -17.387 0.828 7.409 1.00 0.00 H new ATOM 0 HA LYS A 117 -19.038 -0.708 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.814 0.520 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.923 1.607 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -22.428 0.295 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.451 -1.142 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -23.307 0.085 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -23.639 -1.352 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -21.370 -2.234 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.608 -0.972 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -22.549 -3.063 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.782 -1.915 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -23.552 -3.137 9.193 1.00 0.00 H new ATOM 1857 N PRO A 118 -19.911 0.471 4.730 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.026 0.061 3.319 1.00 0.00 C ATOM 1859 C PRO A 118 -18.691 -0.136 2.602 1.00 0.00 C ATOM 1860 O PRO A 118 -18.185 0.776 1.952 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.815 1.202 2.668 1.00 0.00 C ATOM 1862 CG PRO A 118 -20.640 2.370 3.573 1.00 0.00 C ATOM 1863 CD PRO A 118 -20.480 1.812 4.957 1.00 0.00 C ATOM 0 HA PRO A 118 -20.504 -0.916 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.439 1.420 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -21.868 0.941 2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.766 2.956 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -21.502 3.036 3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.818 2.430 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.435 1.758 5.480 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.153 -1.346 2.683 1.00 0.00 N ATOM 1872 CA VAL A 119 -16.904 -1.674 2.001 1.00 0.00 C ATOM 1873 C VAL A 119 -17.221 -2.469 0.736 1.00 0.00 C ATOM 1874 O VAL A 119 -18.187 -3.227 0.717 1.00 0.00 O ATOM 1875 CB VAL A 119 -15.933 -2.470 2.902 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -14.983 -1.525 3.619 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.695 -3.326 3.905 1.00 0.00 C ATOM 0 H VAL A 119 -18.560 -2.117 3.213 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.404 -0.740 1.746 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.349 -3.137 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -14.305 -2.100 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -14.406 -0.963 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.555 -0.834 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.988 -3.875 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -17.311 -2.685 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -17.333 -4.031 3.371 1.00 0.00 H new ATOM 1887 N CYS A 120 -16.428 -2.276 -0.324 1.00 0.00 N ATOM 1888 CA CYS A 120 -16.661 -2.962 -1.604 1.00 0.00 C ATOM 1889 C CYS A 120 -18.155 -3.073 -1.940 1.00 0.00 C ATOM 1890 O CYS A 120 -18.693 -2.235 -2.661 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.018 -4.348 -1.616 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.205 -5.222 -3.188 1.00 0.00 S ATOM 0 H CYS A 120 -15.621 -1.652 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 120 -16.191 -2.349 -2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -14.956 -4.248 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.458 -4.950 -0.821 1.00 0.00 H new ATOM 1897 N ARG A 121 -18.810 -4.116 -1.424 1.00 0.00 N ATOM 1898 CA ARG A 121 -20.231 -4.343 -1.681 1.00 0.00 C ATOM 1899 C ARG A 121 -20.444 -4.709 -3.149 1.00 0.00 C ATOM 1900 O ARG A 121 -21.418 -4.300 -3.781 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.060 -3.111 -1.265 1.00 0.00 C ATOM 1902 CG ARG A 121 -21.444 -2.169 -2.400 1.00 0.00 C ATOM 1903 CD ARG A 121 -21.531 -0.728 -1.924 1.00 0.00 C ATOM 1904 NE ARG A 121 -20.212 -0.152 -1.672 1.00 0.00 N ATOM 1905 CZ ARG A 121 -20.015 1.112 -1.300 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -21.047 1.931 -1.137 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -18.784 1.557 -1.091 1.00 0.00 N ATOM 0 H ARG A 121 -18.376 -4.818 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.577 -5.181 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.972 -3.455 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.495 -2.547 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.709 -2.245 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.404 -2.474 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.050 -0.130 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.126 -0.683 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.395 -0.752 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.996 1.593 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -20.891 2.898 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -17.988 0.932 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -18.633 2.525 -0.806 1.00 0.00 H new ATOM 1921 N CYS A 122 -19.501 -5.479 -3.681 1.00 0.00 N ATOM 1922 CA CYS A 122 -19.540 -5.909 -5.078 1.00 0.00 C ATOM 1923 C CYS A 122 -20.920 -6.387 -5.504 1.00 0.00 C ATOM 1924 O CYS A 122 -21.833 -6.535 -4.691 1.00 0.00 O ATOM 1925 CB CYS A 122 -18.518 -7.020 -5.365 1.00 0.00 C ATOM 1926 SG CYS A 122 -17.921 -7.939 -3.919 1.00 0.00 S ATOM 0 H CYS A 122 -18.693 -5.822 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 122 -19.283 -5.024 -5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -18.966 -7.728 -6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -17.660 -6.576 -5.869 1.00 0.00 H new ATOM 1931 N ALA A 123 -21.042 -6.630 -6.802 1.00 0.00 N ATOM 1932 CA ALA A 123 -22.285 -7.100 -7.401 1.00 0.00 C ATOM 1933 C ALA A 123 -22.132 -7.212 -8.914 1.00 0.00 C ATOM 1934 O ALA A 123 -23.070 -6.945 -9.666 1.00 0.00 O ATOM 1935 CB ALA A 123 -23.432 -6.164 -7.049 1.00 0.00 C ATOM 0 H ALA A 123 -20.281 -6.507 -7.470 1.00 0.00 H new ATOM 0 HA ALA A 123 -22.513 -8.088 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -24.353 -6.529 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -23.552 -6.127 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -23.214 -5.164 -7.424 1.00 0.00 H new ATOM 1941 N GLU A 124 -20.937 -7.603 -9.350 1.00 0.00 N ATOM 1942 CA GLU A 124 -20.644 -7.747 -10.771 1.00 0.00 C ATOM 1943 C GLU A 124 -19.655 -8.882 -11.005 1.00 0.00 C ATOM 1944 O GLU A 124 -19.272 -9.585 -10.069 1.00 0.00 O ATOM 1945 CB GLU A 124 -20.077 -6.439 -11.331 1.00 0.00 C ATOM 1946 CG GLU A 124 -20.743 -5.193 -10.768 1.00 0.00 C ATOM 1947 CD GLU A 124 -20.161 -4.775 -9.432 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -18.924 -4.618 -9.347 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -20.940 -4.605 -8.472 1.00 0.00 O ATOM 0 H GLU A 124 -20.154 -7.826 -8.736 1.00 0.00 H new ATOM 0 HA GLU A 124 -21.574 -7.983 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -19.009 -6.396 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -20.187 -6.440 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -20.635 -4.374 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -21.811 -5.377 -10.653 1.00 0.00 H new ATOM 1956 N VAL A 125 -19.242 -9.059 -12.256 1.00 0.00 N ATOM 1957 CA VAL A 125 -18.296 -10.113 -12.601 1.00 0.00 C ATOM 1958 C VAL A 125 -16.911 -9.822 -12.024 1.00 0.00 C ATOM 1959 O VAL A 125 -16.317 -10.679 -11.369 1.00 0.00 O ATOM 1960 CB VAL A 125 -18.189 -10.306 -14.125 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -17.317 -11.509 -14.450 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -19.571 -10.461 -14.743 1.00 0.00 C ATOM 0 H VAL A 125 -19.546 -8.488 -13.045 1.00 0.00 H new ATOM 0 HA VAL A 125 -18.678 -11.035 -12.162 1.00 0.00 H new ATOM 0 HB VAL A 125 -17.722 -9.419 -14.553 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -17.253 -11.630 -15.531 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -16.318 -11.355 -14.042 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -17.755 -12.405 -14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -19.475 -10.596 -15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -20.067 -11.330 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -20.162 -9.568 -14.541 1.00 0.00 H new ATOM 1972 N PRO A 126 -16.373 -8.607 -12.249 1.00 0.00 N ATOM 1973 CA PRO A 126 -15.058 -8.229 -11.732 1.00 0.00 C ATOM 1974 C PRO A 126 -15.107 -7.880 -10.249 1.00 0.00 C ATOM 1975 O PRO A 126 -14.276 -8.336 -9.463 1.00 0.00 O ATOM 1976 CB PRO A 126 -14.697 -7.000 -12.563 1.00 0.00 C ATOM 1977 CG PRO A 126 -16.007 -6.380 -12.912 1.00 0.00 C ATOM 1978 CD PRO A 126 -17.002 -7.508 -13.011 1.00 0.00 C ATOM 0 HA PRO A 126 -14.333 -9.039 -11.811 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -14.071 -6.310 -11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -14.139 -7.277 -13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -16.311 -5.661 -12.151 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -15.940 -5.838 -13.855 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -17.966 -7.228 -12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -17.181 -7.793 -14.048 1.00 0.00 H new ATOM 1986 N CYS A 127 -16.095 -7.068 -9.874 1.00 0.00 N ATOM 1987 CA CYS A 127 -16.281 -6.645 -8.485 1.00 0.00 C ATOM 1988 C CYS A 127 -15.219 -5.640 -8.040 1.00 0.00 C ATOM 1989 O CYS A 127 -15.400 -4.981 -7.019 1.00 0.00 O ATOM 1990 CB CYS A 127 -16.297 -7.868 -7.539 1.00 0.00 C ATOM 1991 SG CYS A 127 -15.327 -7.698 -6.014 1.00 0.00 S ATOM 0 H CYS A 127 -16.786 -6.686 -10.520 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.247 -6.142 -8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -17.331 -8.081 -7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -15.927 -8.734 -8.088 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.098 -5.542 -8.771 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.024 -4.640 -8.386 1.00 0.00 C ATOM 1998 C LYS A 128 -12.660 -4.904 -6.958 1.00 0.00 C ATOM 1999 O LYS A 128 -13.248 -5.759 -6.297 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.447 -3.159 -8.493 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.220 -2.626 -7.287 1.00 0.00 C ATOM 2002 CD LYS A 128 -15.672 -2.333 -7.636 1.00 0.00 C ATOM 2003 CE LYS A 128 -15.819 -0.996 -8.343 1.00 0.00 C ATOM 2004 NZ LYS A 128 -17.185 -0.814 -8.907 1.00 0.00 N ATOM 0 H LYS A 128 -13.921 -6.075 -9.623 1.00 0.00 H new ATOM 0 HA LYS A 128 -12.187 -4.817 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -12.554 -2.550 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.061 -3.034 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.180 -3.355 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -13.743 -1.717 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.061 -3.127 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.272 -2.332 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.605 -0.189 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -15.083 -0.926 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -17.245 0.110 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -17.380 -1.569 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.886 -0.855 -8.140 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.780 -4.091 -6.444 1.00 0.00 N ATOM 2019 CA GLY A 129 -11.498 -4.198 -5.055 1.00 0.00 C ATOM 2020 C GLY A 129 -12.734 -3.697 -4.344 1.00 0.00 C ATOM 2021 O GLY A 129 -13.660 -4.462 -4.089 1.00 0.00 O ATOM 0 H GLY A 129 -11.265 -3.372 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -11.279 -5.229 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.625 -3.604 -4.786 1.00 0.00 H new ATOM 2025 N ASP A 130 -12.790 -2.389 -4.128 1.00 0.00 N ATOM 2026 CA ASP A 130 -13.967 -1.749 -3.557 1.00 0.00 C ATOM 2027 C ASP A 130 -14.167 -0.370 -4.158 1.00 0.00 C ATOM 2028 O ASP A 130 -13.400 0.549 -3.868 1.00 0.00 O ATOM 2029 CB ASP A 130 -13.843 -1.617 -2.037 1.00 0.00 C ATOM 2030 CG ASP A 130 -14.381 -0.300 -1.497 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -15.596 -0.051 -1.644 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -13.585 0.478 -0.930 1.00 0.00 O ATOM 0 H ASP A 130 -12.027 -1.747 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 130 -14.826 -2.379 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.378 -2.440 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.794 -1.715 -1.756 1.00 0.00 H new ATOM 2037 N CYS A 131 -15.238 -0.223 -4.903 1.00 0.00 N ATOM 2038 CA CYS A 131 -15.619 1.058 -5.502 1.00 0.00 C ATOM 2039 C CYS A 131 -14.513 1.649 -6.374 1.00 0.00 C ATOM 2040 O CYS A 131 -14.447 2.863 -6.562 1.00 0.00 O ATOM 2041 CB CYS A 131 -15.995 2.055 -4.406 1.00 0.00 C ATOM 2042 SG CYS A 131 -16.936 3.482 -4.997 1.00 0.00 S ATOM 0 H CYS A 131 -15.880 -0.986 -5.118 1.00 0.00 H new ATOM 0 HA CYS A 131 -16.477 0.867 -6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -16.579 1.538 -3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -15.084 2.409 -3.923 1.00 0.00 H new ATOM 0 HG CYS A 131 -16.350 3.986 -6.042 1.00 0.00 H new ATOM 2048 N ALA A 132 -13.655 0.792 -6.909 1.00 0.00 N ATOM 2049 CA ALA A 132 -12.559 1.237 -7.766 1.00 0.00 C ATOM 2050 C ALA A 132 -11.765 2.369 -7.119 1.00 0.00 C ATOM 2051 O ALA A 132 -10.863 2.916 -7.788 1.00 0.00 O ATOM 2052 CB ALA A 132 -13.102 1.677 -9.117 1.00 0.00 C ATOM 2053 OXT ALA A 132 -12.051 2.701 -5.949 1.00 0.00 O ATOM 0 H ALA A 132 -13.695 -0.217 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 132 -11.879 0.397 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -12.278 2.007 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -13.613 0.841 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -13.804 2.499 -8.977 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -15.579 -7.062 -4.001 1.00 0.00 ZN