USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1101 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: C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 38 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.2!) USER MOD Set 2.1: A 15 CYS SG : rot -118:sc= 0.91 USER MOD Set 2.2: A 34 SER OG : rot 100:sc= 0.0517 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.112 (180deg=-0.517) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0.00611 K(o=0.0061,f=-5.4!) USER MOD Single : A 17 SER OG : rot 10:sc= 0.921 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl -141:sc= -1.47 (180deg=-2.58) USER MOD Single : C 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 5 HIS : no HD1:sc= -0.0057 X(o=-0.0057,f=-0.018) USER MOD Single : C 6 HIS : no HD1:sc= 0.833 K(o=0.83,f=-5.8!) USER MOD Single : C 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 9 HIS :FLIP no HE2:sc= 0.284 F(o=-1.2,f=0.28) USER MOD Single : C 15 LYS NZ :NH3+ -164:sc= 0.358 (180deg=0.0832) USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.984) USER MOD Single : C 23 THR OG1 : rot 160:sc= -0.079 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 GLN : amide:sc= -0.0325 K(o=-0.032,f=-1.1) USER MOD Single : C 28 THR OG1 : rot 160:sc= -3.19! USER MOD Single : C 30 THR OG1 : rot 180:sc= -2.12! USER MOD Single : C 36 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : C 40 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0.918) USER MOD Single : C 43 LYS NZ :NH3+ -109:sc= 0.364 (180deg=-0.18) USER MOD Single : C 45 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.5!) USER MOD Single : C 49 SER OG : rot 180:sc= -0.0189 USER MOD Single : C 51 SER OG : rot -43:sc= 0.466 USER MOD Single : C 54 SER OG : rot 160:sc= -0.349 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : C 61 TYR OH : rot 15:sc= -1.88! USER MOD Single : C 62 GLN : amide:sc= -0.606 K(o=-0.61,f=-5!) USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 73 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : C 75 TYR OH : rot 119:sc= -0.0166 USER MOD Single : C 76 ASN : amide:sc= -0.477 K(o=-0.48,f=-1.1) USER MOD Single : C 80 LYS NZ :NH3+ -166:sc= -0.0143 (180deg=-0.207) USER MOD Single : C 83 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.4) USER MOD Single : C 91 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.17) USER MOD Single : C 92 THR OG1 : rot 180:sc= 0 USER MOD Single : C 93 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.11) USER MOD Single : C 96 SER OG : rot 180:sc= 0 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 1.937 -17.079 10.274 1.00 0.00 N ATOM 2 CA GLY A -1 1.101 -16.426 11.309 1.00 0.00 C ATOM 3 C GLY A -1 -0.157 -17.215 11.597 1.00 0.00 C ATOM 4 O GLY A -1 -0.841 -17.659 10.676 1.00 0.00 O ATOM 0 H1 GLY A -1 2.789 -16.508 10.105 1.00 0.00 H new ATOM 0 H2 GLY A -1 2.214 -18.027 10.599 1.00 0.00 H new ATOM 0 H3 GLY A -1 1.395 -17.161 9.390 1.00 0.00 H new ATOM 0 HA2 GLY A -1 1.679 -16.316 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A -1 0.833 -15.422 10.979 1.00 0.00 H new ATOM 10 N SER A 0 -0.462 -17.397 12.871 1.00 0.00 N ATOM 11 CA SER A 0 -1.647 -18.133 13.274 1.00 0.00 C ATOM 12 C SER A 0 -2.405 -17.351 14.338 1.00 0.00 C ATOM 13 O SER A 0 -2.215 -17.561 15.537 1.00 0.00 O ATOM 14 CB SER A 0 -1.257 -19.518 13.803 1.00 0.00 C ATOM 15 OG SER A 0 -2.403 -20.310 14.080 1.00 0.00 O ATOM 0 H SER A 0 0.098 -17.043 13.647 1.00 0.00 H new ATOM 0 HA SER A 0 -2.295 -18.265 12.407 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.631 -20.026 13.070 1.00 0.00 H new ATOM 0 HB3 SER A 0 -0.661 -19.408 14.709 1.00 0.00 H new ATOM 0 HG SER A 0 -2.121 -21.187 14.414 1.00 0.00 H new ATOM 21 N MET A 1 -3.258 -16.443 13.892 1.00 0.00 N ATOM 22 CA MET A 1 -4.021 -15.607 14.801 1.00 0.00 C ATOM 23 C MET A 1 -5.241 -16.353 15.318 1.00 0.00 C ATOM 24 O MET A 1 -6.196 -16.597 14.581 1.00 0.00 O ATOM 25 CB MET A 1 -4.456 -14.302 14.123 1.00 0.00 C ATOM 26 CG MET A 1 -3.325 -13.306 13.900 1.00 0.00 C ATOM 27 SD MET A 1 -2.103 -13.864 12.693 1.00 0.00 S ATOM 28 CE MET A 1 -3.090 -13.896 11.197 1.00 0.00 C ATOM 0 H MET A 1 -3.439 -16.267 12.904 1.00 0.00 H new ATOM 0 HA MET A 1 -3.374 -15.358 15.642 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.911 -14.540 13.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.227 -13.829 14.732 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.747 -12.358 13.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.826 -13.116 14.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.433 -13.887 10.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.699 -14.800 11.182 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.739 -13.021 11.170 1.00 0.00 H new ATOM 38 N ALA A 2 -5.189 -16.738 16.583 1.00 0.00 N ATOM 39 CA ALA A 2 -6.333 -17.349 17.244 1.00 0.00 C ATOM 40 C ALA A 2 -7.242 -16.263 17.801 1.00 0.00 C ATOM 41 O ALA A 2 -8.408 -16.499 18.121 1.00 0.00 O ATOM 42 CB ALA A 2 -5.866 -18.274 18.353 1.00 0.00 C ATOM 0 H ALA A 2 -4.364 -16.638 17.175 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.893 -17.940 16.519 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.731 -18.725 18.839 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.237 -19.058 17.932 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.294 -17.704 19.085 1.00 0.00 H new ATOM 48 N GLU A 3 -6.685 -15.068 17.896 1.00 0.00 N ATOM 49 CA GLU A 3 -7.392 -13.912 18.412 1.00 0.00 C ATOM 50 C GLU A 3 -6.936 -12.671 17.659 1.00 0.00 C ATOM 51 O GLU A 3 -6.189 -12.789 16.684 1.00 0.00 O ATOM 52 CB GLU A 3 -7.119 -13.759 19.908 1.00 0.00 C ATOM 53 CG GLU A 3 -5.646 -13.605 20.239 1.00 0.00 C ATOM 54 CD GLU A 3 -5.400 -13.479 21.722 1.00 0.00 C ATOM 55 OE1 GLU A 3 -5.446 -12.346 22.241 1.00 0.00 O ATOM 56 OE2 GLU A 3 -5.163 -14.516 22.376 1.00 0.00 O ATOM 0 H GLU A 3 -5.724 -14.873 17.615 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.465 -14.044 18.270 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.661 -12.890 20.282 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.513 -14.630 20.433 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.098 -14.465 19.854 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.253 -12.724 19.732 1.00 0.00 H new ATOM 63 N ALA A 4 -7.368 -11.498 18.119 1.00 0.00 N ATOM 64 CA ALA A 4 -7.047 -10.235 17.459 1.00 0.00 C ATOM 65 C ALA A 4 -7.428 -10.291 15.983 1.00 0.00 C ATOM 66 O ALA A 4 -6.581 -10.122 15.106 1.00 0.00 O ATOM 67 CB ALA A 4 -5.569 -9.898 17.627 1.00 0.00 C ATOM 0 H ALA A 4 -7.946 -11.397 18.953 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.628 -9.443 17.931 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.352 -8.954 17.128 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.334 -9.810 18.688 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.963 -10.689 17.186 1.00 0.00 H new ATOM 73 N SER A 5 -8.711 -10.542 15.732 1.00 0.00 N ATOM 74 CA SER A 5 -9.236 -10.701 14.378 1.00 0.00 C ATOM 75 C SER A 5 -8.658 -11.949 13.705 1.00 0.00 C ATOM 76 O SER A 5 -7.787 -11.860 12.838 1.00 0.00 O ATOM 77 CB SER A 5 -8.953 -9.453 13.539 1.00 0.00 C ATOM 78 OG SER A 5 -9.538 -8.306 14.136 1.00 0.00 O ATOM 0 H SER A 5 -9.416 -10.641 16.462 1.00 0.00 H new ATOM 0 HA SER A 5 -10.316 -10.829 14.449 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.877 -9.310 13.442 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.349 -9.588 12.532 1.00 0.00 H new ATOM 0 HG SER A 5 -9.345 -7.517 13.587 1.00 0.00 H new ATOM 84 N PRO A 6 -9.148 -13.135 14.101 1.00 0.00 N ATOM 85 CA PRO A 6 -8.673 -14.407 13.561 1.00 0.00 C ATOM 86 C PRO A 6 -9.336 -14.770 12.235 1.00 0.00 C ATOM 87 O PRO A 6 -9.035 -15.807 11.643 1.00 0.00 O ATOM 88 CB PRO A 6 -9.076 -15.402 14.645 1.00 0.00 C ATOM 89 CG PRO A 6 -10.315 -14.829 15.246 1.00 0.00 C ATOM 90 CD PRO A 6 -10.201 -13.330 15.118 1.00 0.00 C ATOM 0 HA PRO A 6 -7.606 -14.387 13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.261 -16.391 14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.290 -15.514 15.391 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.202 -15.196 14.729 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.411 -15.123 16.291 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.145 -12.884 14.805 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.929 -12.868 16.067 1.00 0.00 H new ATOM 98 N HIS A 7 -10.241 -13.921 11.771 1.00 0.00 N ATOM 99 CA HIS A 7 -10.982 -14.196 10.550 1.00 0.00 C ATOM 100 C HIS A 7 -10.785 -13.083 9.527 1.00 0.00 C ATOM 101 O HIS A 7 -10.968 -11.904 9.836 1.00 0.00 O ATOM 102 CB HIS A 7 -12.474 -14.371 10.852 1.00 0.00 C ATOM 103 CG HIS A 7 -12.780 -15.572 11.692 1.00 0.00 C ATOM 104 ND1 HIS A 7 -13.437 -15.504 12.901 1.00 0.00 N ATOM 105 CD2 HIS A 7 -12.519 -16.882 11.483 1.00 0.00 C ATOM 106 CE1 HIS A 7 -13.562 -16.720 13.399 1.00 0.00 C ATOM 107 NE2 HIS A 7 -13.015 -17.574 12.558 1.00 0.00 N ATOM 0 H HIS A 7 -10.479 -13.037 12.221 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.596 -15.124 10.129 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.840 -13.479 11.361 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.020 -14.447 9.912 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.013 -17.305 10.628 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.033 -16.972 14.337 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.968 -18.585 12.686 1.00 0.00 H new ATOM 116 N PRO A 8 -10.415 -13.449 8.289 1.00 0.00 N ATOM 117 CA PRO A 8 -10.237 -12.497 7.185 1.00 0.00 C ATOM 118 C PRO A 8 -11.567 -12.036 6.588 1.00 0.00 C ATOM 119 O PRO A 8 -11.770 -12.075 5.374 1.00 0.00 O ATOM 120 CB PRO A 8 -9.460 -13.308 6.178 1.00 0.00 C ATOM 121 CG PRO A 8 -9.977 -14.687 6.363 1.00 0.00 C ATOM 122 CD PRO A 8 -10.135 -14.835 7.853 1.00 0.00 C ATOM 0 HA PRO A 8 -9.743 -11.579 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.627 -12.951 5.162 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.387 -13.254 6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.927 -14.827 5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.285 -15.427 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.950 -15.512 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.233 -15.232 8.319 1.00 0.00 H new ATOM 130 N GLY A 9 -12.470 -11.601 7.451 1.00 0.00 N ATOM 131 CA GLY A 9 -13.774 -11.161 7.005 1.00 0.00 C ATOM 132 C GLY A 9 -13.964 -9.683 7.216 1.00 0.00 C ATOM 133 O GLY A 9 -15.037 -9.132 6.971 1.00 0.00 O ATOM 0 H GLY A 9 -12.322 -11.545 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.896 -11.396 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.547 -11.708 7.544 1.00 0.00 H new ATOM 137 N ARG A 10 -12.919 -9.051 7.695 1.00 0.00 N ATOM 138 CA ARG A 10 -12.958 -7.633 7.999 1.00 0.00 C ATOM 139 C ARG A 10 -12.013 -6.856 7.085 1.00 0.00 C ATOM 140 O ARG A 10 -10.869 -6.579 7.446 1.00 0.00 O ATOM 141 CB ARG A 10 -12.586 -7.406 9.463 1.00 0.00 C ATOM 142 CG ARG A 10 -12.919 -6.011 9.953 1.00 0.00 C ATOM 143 CD ARG A 10 -12.449 -5.783 11.378 1.00 0.00 C ATOM 144 NE ARG A 10 -12.922 -4.507 11.910 1.00 0.00 N ATOM 145 CZ ARG A 10 -12.190 -3.684 12.663 1.00 0.00 C ATOM 146 NH1 ARG A 10 -10.906 -3.937 12.890 1.00 0.00 N ATOM 147 NH2 ARG A 10 -12.740 -2.586 13.159 1.00 0.00 N ATOM 0 H ARG A 10 -12.022 -9.498 7.885 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.971 -7.268 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.108 -8.136 10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.518 -7.585 9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.455 -5.275 9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.996 -5.854 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.805 -6.595 12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.360 -5.808 11.409 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.878 -4.226 11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.471 -4.767 12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.355 -3.301 13.467 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.718 -2.373 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.185 -1.953 13.735 1.00 0.00 H new ATOM 161 N TYR A 11 -12.490 -6.532 5.892 1.00 0.00 N ATOM 162 CA TYR A 11 -11.729 -5.711 4.953 1.00 0.00 C ATOM 163 C TYR A 11 -12.475 -4.425 4.669 1.00 0.00 C ATOM 164 O TYR A 11 -13.694 -4.436 4.561 1.00 0.00 O ATOM 165 CB TYR A 11 -11.511 -6.441 3.622 1.00 0.00 C ATOM 166 CG TYR A 11 -10.496 -7.547 3.669 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.653 -8.646 4.507 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.366 -7.476 2.873 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.696 -9.644 4.552 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.409 -8.472 2.905 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.575 -9.551 3.748 1.00 0.00 C ATOM 172 OH TYR A 11 -7.618 -10.537 3.784 1.00 0.00 O ATOM 0 H TYR A 11 -13.404 -6.825 5.548 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.762 -5.502 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.463 -6.855 3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.201 -5.714 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.532 -8.721 5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.230 -6.629 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.824 -10.490 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.536 -8.406 2.273 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.039 -11.393 4.008 1.00 0.00 H new ATOM 182 N PHE A 12 -11.770 -3.316 4.553 1.00 0.00 N ATOM 183 CA PHE A 12 -12.413 -2.103 4.088 1.00 0.00 C ATOM 184 C PHE A 12 -11.879 -1.710 2.727 1.00 0.00 C ATOM 185 O PHE A 12 -10.695 -1.405 2.571 1.00 0.00 O ATOM 186 CB PHE A 12 -12.262 -0.931 5.055 1.00 0.00 C ATOM 187 CG PHE A 12 -13.030 0.277 4.595 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.415 0.288 4.651 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.379 1.384 4.081 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.135 1.375 4.209 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.096 2.481 3.638 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.476 2.475 3.702 1.00 0.00 C ATOM 0 H PHE A 12 -10.777 -3.229 4.768 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.477 -2.329 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.611 -1.229 6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.207 -0.675 5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.938 -0.570 5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.300 1.392 4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.214 1.366 4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.577 3.342 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.037 3.330 3.356 1.00 0.00 H new ATOM 202 N CYS A 13 -12.751 -1.736 1.741 1.00 0.00 N ATOM 203 CA CYS A 13 -12.402 -1.263 0.425 1.00 0.00 C ATOM 204 C CYS A 13 -12.740 0.209 0.294 1.00 0.00 C ATOM 205 O CYS A 13 -13.900 0.613 0.410 1.00 0.00 O ATOM 206 CB CYS A 13 -13.106 -2.085 -0.637 1.00 0.00 C ATOM 207 SG CYS A 13 -13.405 -1.214 -2.187 1.00 0.00 S ATOM 0 H CYS A 13 -13.707 -2.081 1.830 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.328 -1.379 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.510 -2.974 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.061 -2.428 -0.238 1.00 0.00 H new ATOM 212 N HIS A 14 -11.717 1.003 0.044 1.00 0.00 N ATOM 213 CA HIS A 14 -11.859 2.442 0.009 1.00 0.00 C ATOM 214 C HIS A 14 -12.434 2.911 -1.331 1.00 0.00 C ATOM 215 O HIS A 14 -12.759 4.087 -1.501 1.00 0.00 O ATOM 216 CB HIS A 14 -10.514 3.090 0.263 1.00 0.00 C ATOM 217 CG HIS A 14 -9.959 2.855 1.639 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.918 3.830 2.610 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.364 1.766 2.181 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.317 3.353 3.685 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.970 2.101 3.452 1.00 0.00 N ATOM 0 H HIS A 14 -10.771 0.670 -0.139 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.558 2.740 0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.800 2.716 -0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.606 4.164 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.225 0.809 1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.139 3.896 4.601 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.489 1.485 4.108 1.00 0.00 H new ATOM 230 N CYS A 15 -12.552 1.983 -2.280 1.00 0.00 N ATOM 231 CA CYS A 15 -13.077 2.300 -3.604 1.00 0.00 C ATOM 232 C CYS A 15 -14.577 2.561 -3.573 1.00 0.00 C ATOM 233 O CYS A 15 -15.046 3.591 -4.054 1.00 0.00 O ATOM 234 CB CYS A 15 -12.754 1.190 -4.572 1.00 0.00 C ATOM 235 SG CYS A 15 -13.649 1.246 -6.145 1.00 0.00 S ATOM 0 H CYS A 15 -12.290 1.005 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 15 -12.595 3.218 -3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.684 1.213 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.964 0.236 -4.088 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.382 0.179 -6.265 1.00 0.00 H new ATOM 241 N CYS A 16 -15.328 1.638 -2.985 1.00 0.00 N ATOM 242 CA CYS A 16 -16.771 1.806 -2.887 1.00 0.00 C ATOM 243 C CYS A 16 -17.156 2.285 -1.487 1.00 0.00 C ATOM 244 O CYS A 16 -18.330 2.454 -1.171 1.00 0.00 O ATOM 245 CB CYS A 16 -17.509 0.514 -3.274 1.00 0.00 C ATOM 246 SG CYS A 16 -17.112 -0.934 -2.265 1.00 0.00 S ATOM 0 H CYS A 16 -14.968 0.777 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.080 2.572 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -18.582 0.696 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -17.283 0.284 -4.315 1.00 0.00 H new ATOM 251 N SER A 17 -16.121 2.511 -0.671 1.00 0.00 N ATOM 252 CA SER A 17 -16.242 3.040 0.692 1.00 0.00 C ATOM 253 C SER A 17 -17.195 2.219 1.565 1.00 0.00 C ATOM 254 O SER A 17 -18.022 2.769 2.298 1.00 0.00 O ATOM 255 CB SER A 17 -16.643 4.527 0.675 1.00 0.00 C ATOM 256 OG SER A 17 -17.893 4.739 0.036 1.00 0.00 O ATOM 0 H SER A 17 -15.156 2.328 -0.945 1.00 0.00 H new ATOM 0 HA SER A 17 -15.256 2.955 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.692 4.900 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.873 5.103 0.162 1.00 0.00 H new ATOM 0 HG SER A 17 -18.325 3.876 -0.133 1.00 0.00 H new ATOM 262 N VAL A 18 -17.051 0.899 1.500 1.00 0.00 N ATOM 263 CA VAL A 18 -17.847 -0.013 2.315 1.00 0.00 C ATOM 264 C VAL A 18 -16.974 -1.179 2.783 1.00 0.00 C ATOM 265 O VAL A 18 -16.044 -1.585 2.079 1.00 0.00 O ATOM 266 CB VAL A 18 -19.047 -0.589 1.529 1.00 0.00 C ATOM 267 CG1 VAL A 18 -19.972 -1.380 2.441 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.830 0.498 0.807 1.00 0.00 C ATOM 0 H VAL A 18 -16.384 0.433 0.885 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.226 0.556 3.164 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.636 -1.262 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.807 -1.773 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.421 -2.207 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.352 -0.728 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.664 0.049 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.212 1.215 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.176 1.010 0.102 1.00 0.00 H new ATOM 278 N GLU A 19 -17.267 -1.700 3.971 1.00 0.00 N ATOM 279 CA GLU A 19 -16.547 -2.843 4.513 1.00 0.00 C ATOM 280 C GLU A 19 -16.986 -4.129 3.822 1.00 0.00 C ATOM 281 O GLU A 19 -18.166 -4.314 3.532 1.00 0.00 O ATOM 282 CB GLU A 19 -16.777 -2.950 6.003 1.00 0.00 C ATOM 283 CG GLU A 19 -16.021 -4.063 6.651 1.00 0.00 C ATOM 284 CD GLU A 19 -16.181 -4.086 8.153 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.601 -3.216 8.834 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.913 -4.964 8.657 1.00 0.00 O ATOM 0 H GLU A 19 -18.004 -1.344 4.579 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.482 -2.696 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.494 -2.009 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.842 -3.091 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.361 -5.014 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.963 -3.969 6.405 1.00 0.00 H new ATOM 293 N ILE A 20 -16.039 -5.027 3.584 1.00 0.00 N ATOM 294 CA ILE A 20 -16.290 -6.191 2.751 1.00 0.00 C ATOM 295 C ILE A 20 -15.780 -7.488 3.373 1.00 0.00 C ATOM 296 O ILE A 20 -15.020 -7.486 4.345 1.00 0.00 O ATOM 297 CB ILE A 20 -15.590 -6.060 1.396 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.128 -6.369 1.600 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.763 -4.658 0.845 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.387 -6.785 0.371 1.00 0.00 C ATOM 0 H ILE A 20 -15.091 -4.970 3.957 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.374 -6.232 2.644 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.026 -6.754 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.642 -5.487 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.041 -7.162 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.260 -4.581 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.824 -4.445 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.329 -3.938 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.346 -6.984 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.840 -7.688 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.434 -5.987 -0.370 1.00 0.00 H new ATOM 312 N VAL A 21 -16.226 -8.583 2.779 1.00 0.00 N ATOM 313 CA VAL A 21 -15.592 -9.874 2.912 1.00 0.00 C ATOM 314 C VAL A 21 -15.127 -10.296 1.523 1.00 0.00 C ATOM 315 O VAL A 21 -15.920 -10.614 0.636 1.00 0.00 O ATOM 316 CB VAL A 21 -16.547 -10.924 3.508 1.00 0.00 C ATOM 317 CG1 VAL A 21 -15.846 -12.260 3.682 1.00 0.00 C ATOM 318 CG2 VAL A 21 -17.119 -10.437 4.831 1.00 0.00 C ATOM 0 H VAL A 21 -17.053 -8.594 2.182 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.750 -9.801 3.600 1.00 0.00 H new ATOM 0 HB VAL A 21 -17.372 -11.067 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.543 -12.984 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -15.496 -12.616 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.996 -12.140 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -17.792 -11.193 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -16.306 -10.259 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.669 -9.510 4.670 1.00 0.00 H new ATOM 328 N PRO A 22 -13.817 -10.258 1.345 1.00 0.00 N ATOM 329 CA PRO A 22 -13.157 -10.330 0.040 1.00 0.00 C ATOM 330 C PRO A 22 -13.212 -11.675 -0.679 1.00 0.00 C ATOM 331 O PRO A 22 -13.706 -12.682 -0.171 1.00 0.00 O ATOM 332 CB PRO A 22 -11.709 -9.990 0.358 1.00 0.00 C ATOM 333 CG PRO A 22 -11.549 -10.179 1.823 1.00 0.00 C ATOM 334 CD PRO A 22 -12.869 -10.138 2.449 1.00 0.00 C ATOM 0 HA PRO A 22 -13.669 -9.661 -0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.027 -10.637 -0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.478 -8.964 0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.062 -11.132 2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.910 -9.399 2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.992 -10.951 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.017 -9.207 2.996 1.00 0.00 H new ATOM 342 N ARG A 23 -12.664 -11.638 -1.888 1.00 0.00 N ATOM 343 CA ARG A 23 -12.567 -12.755 -2.786 1.00 0.00 C ATOM 344 C ARG A 23 -11.086 -13.093 -2.953 1.00 0.00 C ATOM 345 O ARG A 23 -10.541 -13.143 -4.054 1.00 0.00 O ATOM 346 CB ARG A 23 -13.240 -12.380 -4.091 1.00 0.00 C ATOM 347 CG ARG A 23 -14.737 -12.624 -4.109 1.00 0.00 C ATOM 348 CD ARG A 23 -15.415 -11.746 -5.130 1.00 0.00 C ATOM 349 NE ARG A 23 -16.873 -11.896 -5.113 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.726 -11.032 -5.669 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.273 -9.955 -6.299 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.033 -11.254 -5.602 1.00 0.00 N ATOM 0 H ARG A 23 -12.261 -10.785 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.072 -13.643 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.052 -11.326 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.781 -12.947 -4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.936 -13.672 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.153 -12.427 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.157 -10.704 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.038 -11.990 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.262 -12.715 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.269 -9.784 -6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.929 -9.298 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.386 -12.084 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.685 -10.594 -6.027 1.00 0.00 H new ATOM 366 N LEU A 24 -10.476 -13.185 -1.776 1.00 0.00 N ATOM 367 CA LEU A 24 -9.079 -13.597 -1.505 1.00 0.00 C ATOM 368 C LEU A 24 -8.200 -13.981 -2.706 1.00 0.00 C ATOM 369 O LEU A 24 -7.153 -13.358 -2.866 1.00 0.00 O ATOM 370 CB LEU A 24 -9.066 -14.724 -0.457 1.00 0.00 C ATOM 371 CG LEU A 24 -8.886 -14.296 1.005 1.00 0.00 C ATOM 372 CD1 LEU A 24 -7.438 -13.945 1.277 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.780 -13.118 1.351 1.00 0.00 C ATOM 0 H LEU A 24 -10.972 -12.959 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.609 -12.685 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.002 -15.276 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.264 -15.417 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.175 -15.137 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.326 -13.643 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.810 -14.814 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.134 -13.125 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.628 -12.840 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.532 -12.272 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.823 -13.395 1.198 1.00 0.00 H new ATOM 385 N PRO A 25 -8.528 -15.033 -3.506 1.00 0.00 N ATOM 386 CA PRO A 25 -7.768 -15.405 -4.695 1.00 0.00 C ATOM 387 C PRO A 25 -7.121 -14.220 -5.432 1.00 0.00 C ATOM 388 O PRO A 25 -6.007 -14.323 -5.951 1.00 0.00 O ATOM 389 CB PRO A 25 -8.815 -16.069 -5.577 1.00 0.00 C ATOM 390 CG PRO A 25 -9.868 -16.584 -4.648 1.00 0.00 C ATOM 391 CD PRO A 25 -9.598 -16.008 -3.287 1.00 0.00 C ATOM 0 HA PRO A 25 -6.920 -16.038 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.235 -15.357 -6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.378 -16.880 -6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.860 -16.295 -4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.848 -17.673 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.488 -15.534 -2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.292 -16.781 -2.582 1.00 0.00 H new ATOM 399 N ASP A 26 -7.823 -13.096 -5.458 1.00 0.00 N ATOM 400 CA ASP A 26 -7.325 -11.883 -6.098 1.00 0.00 C ATOM 401 C ASP A 26 -7.143 -10.757 -5.103 1.00 0.00 C ATOM 402 O ASP A 26 -6.436 -9.781 -5.367 1.00 0.00 O ATOM 403 CB ASP A 26 -8.329 -11.421 -7.118 1.00 0.00 C ATOM 404 CG ASP A 26 -7.777 -11.400 -8.525 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.214 -10.358 -8.923 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.894 -12.419 -9.238 1.00 0.00 O ATOM 0 H ASP A 26 -8.748 -12.997 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.362 -12.121 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.199 -12.076 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.673 -10.421 -6.854 1.00 0.00 H new ATOM 411 N TYR A 27 -7.822 -10.904 -3.975 1.00 0.00 N ATOM 412 CA TYR A 27 -7.965 -9.836 -2.990 1.00 0.00 C ATOM 413 C TYR A 27 -8.799 -8.722 -3.581 1.00 0.00 C ATOM 414 O TYR A 27 -8.459 -7.543 -3.512 1.00 0.00 O ATOM 415 CB TYR A 27 -6.622 -9.305 -2.499 1.00 0.00 C ATOM 416 CG TYR A 27 -5.945 -10.223 -1.529 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.332 -10.257 -0.200 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.916 -11.048 -1.936 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.708 -11.094 0.698 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.283 -11.885 -1.046 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.682 -11.906 0.271 1.00 0.00 C ATOM 422 OH TYR A 27 -4.054 -12.739 1.161 1.00 0.00 O ATOM 0 H TYR A 27 -8.292 -11.771 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.467 -10.251 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.967 -9.144 -3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.773 -8.334 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.135 -9.618 0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.603 -11.036 -2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.022 -11.113 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.477 -12.522 -1.379 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.354 -13.245 0.698 1.00 0.00 H new ATOM 432 N ILE A 28 -9.883 -9.138 -4.190 1.00 0.00 N ATOM 433 CA ILE A 28 -10.884 -8.235 -4.723 1.00 0.00 C ATOM 434 C ILE A 28 -11.957 -7.977 -3.696 1.00 0.00 C ATOM 435 O ILE A 28 -12.109 -8.717 -2.720 1.00 0.00 O ATOM 436 CB ILE A 28 -11.554 -8.795 -5.991 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.371 -10.301 -6.002 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.966 -8.144 -7.233 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.293 -11.053 -6.915 1.00 0.00 C ATOM 0 H ILE A 28 -10.101 -10.124 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.366 -7.310 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.620 -8.568 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.343 -10.523 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.508 -10.674 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.450 -8.551 -8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.130 -7.067 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.896 -8.347 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.080 -12.120 -6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.326 -10.870 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.143 -10.716 -7.941 1.00 0.00 H new ATOM 451 N CYS A 29 -12.714 -6.943 -3.948 1.00 0.00 N ATOM 452 CA CYS A 29 -13.816 -6.570 -3.105 1.00 0.00 C ATOM 453 C CYS A 29 -15.091 -7.157 -3.707 1.00 0.00 C ATOM 454 O CYS A 29 -15.225 -7.246 -4.916 1.00 0.00 O ATOM 455 CB CYS A 29 -13.855 -5.040 -3.038 1.00 0.00 C ATOM 456 SG CYS A 29 -15.443 -4.296 -2.622 1.00 0.00 S ATOM 0 H CYS A 29 -12.581 -6.330 -4.753 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.715 -6.954 -2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.121 -4.711 -2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.536 -4.648 -4.004 1.00 0.00 H new ATOM 461 N PRO A 30 -16.024 -7.588 -2.868 1.00 0.00 N ATOM 462 CA PRO A 30 -17.240 -8.258 -3.295 1.00 0.00 C ATOM 463 C PRO A 30 -18.262 -7.218 -3.646 1.00 0.00 C ATOM 464 O PRO A 30 -19.283 -7.485 -4.268 1.00 0.00 O ATOM 465 CB PRO A 30 -17.649 -9.012 -2.033 1.00 0.00 C ATOM 466 CG PRO A 30 -17.247 -8.085 -0.938 1.00 0.00 C ATOM 467 CD PRO A 30 -16.003 -7.393 -1.426 1.00 0.00 C ATOM 0 HA PRO A 30 -17.130 -8.906 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.720 -9.216 -2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.140 -9.973 -1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.037 -7.365 -0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.055 -8.630 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.010 -6.334 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.107 -7.824 -0.979 1.00 0.00 H new ATOM 475 N ARG A 31 -17.963 -6.020 -3.184 1.00 0.00 N ATOM 476 CA ARG A 31 -18.832 -4.890 -3.405 1.00 0.00 C ATOM 477 C ARG A 31 -18.512 -4.100 -4.667 1.00 0.00 C ATOM 478 O ARG A 31 -19.320 -3.282 -5.100 1.00 0.00 O ATOM 479 CB ARG A 31 -18.835 -4.023 -2.204 1.00 0.00 C ATOM 480 CG ARG A 31 -19.375 -4.816 -1.063 1.00 0.00 C ATOM 481 CD ARG A 31 -19.452 -4.029 0.223 1.00 0.00 C ATOM 482 NE ARG A 31 -19.852 -4.874 1.346 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.075 -4.894 1.873 1.00 0.00 C ATOM 484 NH1 ARG A 31 -22.038 -4.129 1.370 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.334 -5.690 2.903 1.00 0.00 N ATOM 0 H ARG A 31 -17.120 -5.807 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.834 -5.286 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.826 -3.676 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.447 -3.137 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.370 -5.179 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.746 -5.693 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.482 -3.578 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.165 -3.213 0.109 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.148 -5.489 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.843 -3.521 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.972 -4.150 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.598 -6.283 3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.269 -5.709 3.310 1.00 0.00 H new ATOM 499 N CYS A 32 -17.340 -4.327 -5.260 1.00 0.00 N ATOM 500 CA CYS A 32 -17.003 -3.635 -6.504 1.00 0.00 C ATOM 501 C CYS A 32 -15.833 -4.289 -7.263 1.00 0.00 C ATOM 502 O CYS A 32 -15.387 -3.766 -8.287 1.00 0.00 O ATOM 503 CB CYS A 32 -16.706 -2.154 -6.233 1.00 0.00 C ATOM 504 SG CYS A 32 -15.130 -1.830 -5.410 1.00 0.00 S ATOM 0 H CYS A 32 -16.626 -4.966 -4.912 1.00 0.00 H new ATOM 0 HA CYS A 32 -17.877 -3.717 -7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.721 -1.616 -7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.509 -1.744 -5.621 1.00 0.00 H new ATOM 509 N GLU A 33 -15.333 -5.423 -6.750 1.00 0.00 N ATOM 510 CA GLU A 33 -14.280 -6.207 -7.408 1.00 0.00 C ATOM 511 C GLU A 33 -13.040 -5.372 -7.701 1.00 0.00 C ATOM 512 O GLU A 33 -12.383 -5.535 -8.726 1.00 0.00 O ATOM 513 CB GLU A 33 -14.801 -6.865 -8.681 1.00 0.00 C ATOM 514 CG GLU A 33 -13.995 -8.086 -9.074 1.00 0.00 C ATOM 515 CD GLU A 33 -14.366 -8.631 -10.434 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.066 -7.968 -11.447 1.00 0.00 O ATOM 517 OE2 GLU A 33 -14.948 -9.732 -10.497 1.00 0.00 O ATOM 0 H GLU A 33 -15.649 -5.822 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.985 -6.991 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.843 -7.152 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.779 -6.141 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.935 -7.831 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.139 -8.865 -8.326 1.00 0.00 H new ATOM 524 N SER A 34 -12.726 -4.475 -6.791 1.00 0.00 N ATOM 525 CA SER A 34 -11.491 -3.728 -6.858 1.00 0.00 C ATOM 526 C SER A 34 -10.631 -4.059 -5.647 1.00 0.00 C ATOM 527 O SER A 34 -11.142 -4.136 -4.527 1.00 0.00 O ATOM 528 CB SER A 34 -11.780 -2.260 -6.931 1.00 0.00 C ATOM 529 OG SER A 34 -12.689 -1.966 -7.977 1.00 0.00 O ATOM 0 H SER A 34 -13.315 -4.245 -5.991 1.00 0.00 H new ATOM 0 HA SER A 34 -10.943 -4.007 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.193 -1.921 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.851 -1.712 -7.089 1.00 0.00 H new ATOM 0 HG SER A 34 -13.588 -1.848 -7.605 1.00 0.00 H new ATOM 535 N GLY A 35 -9.340 -4.264 -5.869 1.00 0.00 N ATOM 536 CA GLY A 35 -8.460 -4.725 -4.808 1.00 0.00 C ATOM 537 C GLY A 35 -8.015 -3.629 -3.858 1.00 0.00 C ATOM 538 O GLY A 35 -6.945 -3.722 -3.258 1.00 0.00 O ATOM 0 H GLY A 35 -8.882 -4.119 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.970 -5.501 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.579 -5.185 -5.255 1.00 0.00 H new ATOM 542 N PHE A 36 -8.836 -2.602 -3.699 1.00 0.00 N ATOM 543 CA PHE A 36 -8.527 -1.517 -2.778 1.00 0.00 C ATOM 544 C PHE A 36 -9.017 -1.872 -1.379 1.00 0.00 C ATOM 545 O PHE A 36 -9.616 -1.046 -0.685 1.00 0.00 O ATOM 546 CB PHE A 36 -9.175 -0.211 -3.246 1.00 0.00 C ATOM 547 CG PHE A 36 -8.790 0.185 -4.644 1.00 0.00 C ATOM 548 CD1 PHE A 36 -7.581 0.809 -4.896 1.00 0.00 C ATOM 549 CD2 PHE A 36 -9.638 -0.070 -5.705 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.227 1.166 -6.182 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.290 0.289 -6.994 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.083 0.907 -7.231 1.00 0.00 C ATOM 0 H PHE A 36 -9.721 -2.496 -4.195 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.446 -1.376 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.259 -0.313 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.896 0.589 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.907 1.019 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.585 -0.556 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.279 1.649 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.964 0.085 -7.813 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.807 1.188 -8.237 1.00 0.00 H new ATOM 562 N ILE A 37 -8.756 -3.111 -0.977 1.00 0.00 N ATOM 563 CA ILE A 37 -9.212 -3.623 0.303 1.00 0.00 C ATOM 564 C ILE A 37 -8.051 -3.839 1.248 1.00 0.00 C ATOM 565 O ILE A 37 -7.044 -4.439 0.878 1.00 0.00 O ATOM 566 CB ILE A 37 -9.930 -4.965 0.166 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.120 -5.994 -0.617 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.256 -4.773 -0.471 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.825 -7.329 -0.716 1.00 0.00 C ATOM 0 H ILE A 37 -8.224 -3.784 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.899 -2.872 0.692 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.056 -5.359 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.926 -5.613 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.152 -6.132 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.758 -5.736 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.861 -4.106 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.124 -4.336 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.207 -8.026 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.995 -7.726 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.782 -7.199 -1.222 1.00 0.00 H new ATOM 581 N GLU A 38 -8.197 -3.373 2.465 1.00 0.00 N ATOM 582 CA GLU A 38 -7.214 -3.634 3.491 1.00 0.00 C ATOM 583 C GLU A 38 -7.878 -4.343 4.659 1.00 0.00 C ATOM 584 O GLU A 38 -9.019 -4.040 5.011 1.00 0.00 O ATOM 585 CB GLU A 38 -6.561 -2.330 3.949 1.00 0.00 C ATOM 586 CG GLU A 38 -7.547 -1.322 4.518 1.00 0.00 C ATOM 587 CD GLU A 38 -6.870 -0.124 5.141 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.365 -0.253 6.269 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.861 0.957 4.516 1.00 0.00 O ATOM 0 H GLU A 38 -8.990 -2.809 2.771 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.432 -4.276 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.809 -2.556 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.039 -1.879 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.213 -0.984 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.168 -1.812 5.267 1.00 0.00 H new ATOM 596 N GLU A 39 -7.183 -5.316 5.222 1.00 0.00 N ATOM 597 CA GLU A 39 -7.687 -6.033 6.379 1.00 0.00 C ATOM 598 C GLU A 39 -7.528 -5.166 7.620 1.00 0.00 C ATOM 599 O GLU A 39 -6.444 -4.646 7.898 1.00 0.00 O ATOM 600 CB GLU A 39 -6.947 -7.360 6.533 1.00 0.00 C ATOM 601 CG GLU A 39 -7.420 -8.198 7.687 1.00 0.00 C ATOM 602 CD GLU A 39 -6.520 -9.384 7.956 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.420 -9.180 8.518 1.00 0.00 O ATOM 604 OE2 GLU A 39 -6.893 -10.520 7.602 1.00 0.00 O ATOM 0 H GLU A 39 -6.268 -5.627 4.896 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.746 -6.253 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.057 -7.934 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.883 -7.158 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.475 -7.578 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.430 -8.553 7.483 1.00 0.00 H new ATOM 611 N LEU A 40 -8.614 -5.022 8.350 1.00 0.00 N ATOM 612 CA LEU A 40 -8.710 -4.033 9.408 1.00 0.00 C ATOM 613 C LEU A 40 -8.299 -4.619 10.753 1.00 0.00 C ATOM 614 O LEU A 40 -9.112 -5.340 11.370 1.00 0.00 O ATOM 615 CB LEU A 40 -10.143 -3.510 9.455 1.00 0.00 C ATOM 616 CG LEU A 40 -10.752 -3.249 8.075 1.00 0.00 C ATOM 617 CD1 LEU A 40 -12.228 -2.935 8.177 1.00 0.00 C ATOM 618 CD2 LEU A 40 -10.027 -2.114 7.373 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.162 -4.347 11.192 1.00 0.00 O ATOM 0 H LEU A 40 -9.455 -5.586 8.229 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.025 -3.211 9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.765 -4.230 9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.163 -2.585 10.031 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.635 -4.159 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.631 -2.755 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.749 -3.778 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.369 -2.046 8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.476 -1.946 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.108 -1.206 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.976 -2.375 7.250 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 11.994 2.965 -18.410 1.00 0.00 N ATOM 633 CA MET C 2 12.028 2.375 -19.766 1.00 0.00 C ATOM 634 C MET C 2 10.625 2.343 -20.354 1.00 0.00 C ATOM 635 O MET C 2 9.641 2.295 -19.617 1.00 0.00 O ATOM 636 CB MET C 2 12.626 0.963 -19.723 1.00 0.00 C ATOM 637 CG MET C 2 11.820 -0.028 -18.896 1.00 0.00 C ATOM 638 SD MET C 2 12.637 -1.628 -18.723 1.00 0.00 S ATOM 639 CE MET C 2 12.835 -2.097 -20.440 1.00 0.00 C ATOM 0 HA MET C 2 12.661 2.994 -20.402 1.00 0.00 H new ATOM 0 HB2 MET C 2 12.711 0.585 -20.742 1.00 0.00 H new ATOM 0 HB3 MET C 2 13.637 1.020 -19.319 1.00 0.00 H new ATOM 0 HG2 MET C 2 11.643 0.392 -17.906 1.00 0.00 H new ATOM 0 HG3 MET C 2 10.845 -0.172 -19.361 1.00 0.00 H new ATOM 0 HE1 MET C 2 12.650 -3.166 -20.549 1.00 0.00 H new ATOM 0 HE2 MET C 2 12.125 -1.541 -21.053 1.00 0.00 H new ATOM 0 HE3 MET C 2 13.850 -1.870 -20.764 1.00 0.00 H new ATOM 651 N ALA C 3 10.532 2.381 -21.674 1.00 0.00 N ATOM 652 CA ALA C 3 9.242 2.380 -22.344 1.00 0.00 C ATOM 653 C ALA C 3 8.929 1.001 -22.905 1.00 0.00 C ATOM 654 O ALA C 3 9.310 0.678 -24.034 1.00 0.00 O ATOM 655 CB ALA C 3 9.216 3.427 -23.449 1.00 0.00 C ATOM 0 H ALA C 3 11.335 2.413 -22.302 1.00 0.00 H new ATOM 0 HA ALA C 3 8.474 2.632 -21.612 1.00 0.00 H new ATOM 0 HB1 ALA C 3 8.243 3.413 -23.941 1.00 0.00 H new ATOM 0 HB2 ALA C 3 9.392 4.413 -23.020 1.00 0.00 H new ATOM 0 HB3 ALA C 3 9.995 3.205 -24.179 1.00 0.00 H new ATOM 661 N HIS C 4 8.245 0.190 -22.099 1.00 0.00 N ATOM 662 CA HIS C 4 7.886 -1.179 -22.478 1.00 0.00 C ATOM 663 C HIS C 4 9.137 -2.009 -22.755 1.00 0.00 C ATOM 664 O HIS C 4 10.233 -1.639 -22.329 1.00 0.00 O ATOM 665 CB HIS C 4 6.946 -1.184 -23.691 1.00 0.00 C ATOM 666 CG HIS C 4 5.577 -0.663 -23.384 1.00 0.00 C ATOM 667 ND1 HIS C 4 4.557 -1.459 -22.909 1.00 0.00 N ATOM 668 CD2 HIS C 4 5.061 0.584 -23.482 1.00 0.00 C ATOM 669 CE1 HIS C 4 3.478 -0.726 -22.726 1.00 0.00 C ATOM 670 NE2 HIS C 4 3.756 0.518 -23.065 1.00 0.00 N ATOM 0 H HIS C 4 7.925 0.460 -21.169 1.00 0.00 H new ATOM 0 HA HIS C 4 7.356 -1.634 -21.641 1.00 0.00 H new ATOM 0 HB2 HIS C 4 7.386 -0.581 -24.485 1.00 0.00 H new ATOM 0 HB3 HIS C 4 6.862 -2.202 -24.072 1.00 0.00 H new ATOM 0 HD2 HIS C 4 5.580 1.467 -23.825 1.00 0.00 H new ATOM 0 HE1 HIS C 4 2.527 -1.083 -22.360 1.00 0.00 H new ATOM 0 HE2 HIS C 4 3.106 1.303 -23.024 1.00 0.00 H new ATOM 679 N HIS C 5 8.970 -3.132 -23.457 1.00 0.00 N ATOM 680 CA HIS C 5 10.074 -4.059 -23.715 1.00 0.00 C ATOM 681 C HIS C 5 10.626 -4.566 -22.391 1.00 0.00 C ATOM 682 O HIS C 5 11.837 -4.616 -22.178 1.00 0.00 O ATOM 683 CB HIS C 5 11.191 -3.394 -24.534 1.00 0.00 C ATOM 684 CG HIS C 5 10.805 -3.074 -25.945 1.00 0.00 C ATOM 685 ND1 HIS C 5 11.444 -3.613 -27.040 1.00 0.00 N ATOM 686 CD2 HIS C 5 9.846 -2.256 -26.438 1.00 0.00 C ATOM 687 CE1 HIS C 5 10.895 -3.142 -28.143 1.00 0.00 C ATOM 688 NE2 HIS C 5 9.923 -2.317 -27.806 1.00 0.00 N ATOM 0 H HIS C 5 8.078 -3.422 -23.858 1.00 0.00 H new ATOM 0 HA HIS C 5 9.691 -4.895 -24.301 1.00 0.00 H new ATOM 0 HB2 HIS C 5 11.495 -2.474 -24.034 1.00 0.00 H new ATOM 0 HB3 HIS C 5 12.059 -4.053 -24.546 1.00 0.00 H new ATOM 0 HD2 HIS C 5 9.150 -1.665 -25.861 1.00 0.00 H new ATOM 0 HE1 HIS C 5 11.191 -3.390 -29.151 1.00 0.00 H new ATOM 0 HE2 HIS C 5 9.326 -1.807 -28.457 1.00 0.00 H new ATOM 697 N HIS C 6 9.719 -4.960 -21.510 1.00 0.00 N ATOM 698 CA HIS C 6 10.065 -5.247 -20.127 1.00 0.00 C ATOM 699 C HIS C 6 10.538 -6.690 -19.944 1.00 0.00 C ATOM 700 O HIS C 6 10.607 -7.189 -18.819 1.00 0.00 O ATOM 701 CB HIS C 6 8.860 -4.958 -19.228 1.00 0.00 C ATOM 702 CG HIS C 6 9.211 -4.816 -17.780 1.00 0.00 C ATOM 703 ND1 HIS C 6 8.624 -5.560 -16.785 1.00 0.00 N ATOM 704 CD2 HIS C 6 10.086 -3.991 -17.163 1.00 0.00 C ATOM 705 CE1 HIS C 6 9.122 -5.200 -15.619 1.00 0.00 C ATOM 706 NE2 HIS C 6 10.013 -4.249 -15.819 1.00 0.00 N ATOM 0 H HIS C 6 8.732 -5.089 -21.731 1.00 0.00 H new ATOM 0 HA HIS C 6 10.896 -4.600 -19.844 1.00 0.00 H new ATOM 0 HB2 HIS C 6 8.376 -4.042 -19.567 1.00 0.00 H new ATOM 0 HB3 HIS C 6 8.133 -5.763 -19.340 1.00 0.00 H new ATOM 0 HD2 HIS C 6 10.725 -3.263 -17.641 1.00 0.00 H new ATOM 0 HE1 HIS C 6 8.846 -5.614 -14.661 1.00 0.00 H new ATOM 0 HE2 HIS C 6 10.558 -3.783 -15.094 1.00 0.00 H new ATOM 715 N HIS C 7 10.861 -7.363 -21.046 1.00 0.00 N ATOM 716 CA HIS C 7 11.470 -8.687 -20.970 1.00 0.00 C ATOM 717 C HIS C 7 12.745 -8.605 -20.137 1.00 0.00 C ATOM 718 O HIS C 7 13.000 -9.449 -19.276 1.00 0.00 O ATOM 719 CB HIS C 7 11.784 -9.227 -22.371 1.00 0.00 C ATOM 720 CG HIS C 7 12.421 -10.584 -22.370 1.00 0.00 C ATOM 721 ND1 HIS C 7 13.745 -10.792 -22.687 1.00 0.00 N ATOM 722 CD2 HIS C 7 11.910 -11.804 -22.082 1.00 0.00 C ATOM 723 CE1 HIS C 7 14.019 -12.080 -22.600 1.00 0.00 C ATOM 724 NE2 HIS C 7 12.923 -12.716 -22.233 1.00 0.00 N ATOM 0 H HIS C 7 10.713 -7.017 -21.994 1.00 0.00 H new ATOM 0 HA HIS C 7 10.767 -9.373 -20.497 1.00 0.00 H new ATOM 0 HB2 HIS C 7 10.861 -9.270 -22.948 1.00 0.00 H new ATOM 0 HB3 HIS C 7 12.446 -8.526 -22.880 1.00 0.00 H new ATOM 0 HD2 HIS C 7 10.893 -12.019 -21.788 1.00 0.00 H new ATOM 0 HE1 HIS C 7 14.978 -12.536 -22.796 1.00 0.00 H new ATOM 0 HE2 HIS C 7 12.842 -13.722 -22.086 1.00 0.00 H new ATOM 733 N HIS C 8 13.529 -7.572 -20.400 1.00 0.00 N ATOM 734 CA HIS C 8 14.695 -7.258 -19.597 1.00 0.00 C ATOM 735 C HIS C 8 14.537 -5.861 -19.018 1.00 0.00 C ATOM 736 O HIS C 8 14.465 -4.884 -19.760 1.00 0.00 O ATOM 737 CB HIS C 8 15.977 -7.342 -20.439 1.00 0.00 C ATOM 738 CG HIS C 8 17.230 -7.019 -19.678 1.00 0.00 C ATOM 739 ND1 HIS C 8 17.911 -5.828 -19.813 1.00 0.00 N ATOM 740 CD2 HIS C 8 17.930 -7.746 -18.774 1.00 0.00 C ATOM 741 CE1 HIS C 8 18.970 -5.836 -19.025 1.00 0.00 C ATOM 742 NE2 HIS C 8 19.005 -6.988 -18.383 1.00 0.00 N ATOM 0 H HIS C 8 13.373 -6.929 -21.176 1.00 0.00 H new ATOM 0 HA HIS C 8 14.777 -7.984 -18.788 1.00 0.00 H new ATOM 0 HB2 HIS C 8 16.063 -8.347 -20.851 1.00 0.00 H new ATOM 0 HB3 HIS C 8 15.890 -6.658 -21.283 1.00 0.00 H new ATOM 0 HD2 HIS C 8 17.687 -8.739 -18.425 1.00 0.00 H new ATOM 0 HE1 HIS C 8 19.687 -5.035 -18.923 1.00 0.00 H new ATOM 0 HE2 HIS C 8 19.715 -7.269 -17.707 1.00 0.00 H new ATOM 751 N HIS C 9 14.452 -5.770 -17.704 1.00 0.00 N ATOM 752 CA HIS C 9 14.347 -4.477 -17.043 1.00 0.00 C ATOM 753 C HIS C 9 15.739 -3.915 -16.807 1.00 0.00 C ATOM 754 O HIS C 9 16.728 -4.645 -16.895 1.00 0.00 O ATOM 755 CB HIS C 9 13.580 -4.591 -15.714 1.00 0.00 C ATOM 756 CG HIS C 9 14.261 -5.426 -14.667 1.00 0.00 C ATOM 757 ND1 HIS C 9 15.187 -5.099 -13.736 1.00 0.00 N flip ATOM 758 CD2 HIS C 9 14.006 -6.767 -14.495 1.00 0.00 C flip ATOM 759 CE1 HIS C 9 15.473 -6.237 -13.026 1.00 0.00 C flip ATOM 760 NE2 HIS C 9 14.748 -7.229 -13.505 1.00 0.00 N flip ATOM 0 H HIS C 9 14.453 -6.571 -17.073 1.00 0.00 H new ATOM 0 HA HIS C 9 13.787 -3.800 -17.689 1.00 0.00 H new ATOM 0 HB2 HIS C 9 13.422 -3.589 -15.314 1.00 0.00 H new ATOM 0 HB3 HIS C 9 12.595 -5.014 -15.913 1.00 0.00 H new ATOM 0 HD1 HIS C 9 15.597 -4.176 -13.589 1.00 0.00 H new ATOM 0 HD2 HIS C 9 13.309 -7.350 -15.078 1.00 0.00 H new ATOM 0 HE1 HIS C 9 16.176 -6.309 -12.209 1.00 0.00 H new ATOM 769 N VAL C 10 15.822 -2.629 -16.512 1.00 0.00 N ATOM 770 CA VAL C 10 17.108 -1.998 -16.278 1.00 0.00 C ATOM 771 C VAL C 10 17.727 -2.499 -14.975 1.00 0.00 C ATOM 772 O VAL C 10 17.032 -2.713 -13.980 1.00 0.00 O ATOM 773 CB VAL C 10 17.006 -0.455 -16.255 1.00 0.00 C ATOM 774 CG1 VAL C 10 16.346 0.051 -17.529 1.00 0.00 C ATOM 775 CG2 VAL C 10 16.251 0.035 -15.027 1.00 0.00 C ATOM 0 H VAL C 10 15.019 -2.005 -16.429 1.00 0.00 H new ATOM 0 HA VAL C 10 17.753 -2.275 -17.112 1.00 0.00 H new ATOM 0 HB VAL C 10 18.018 -0.053 -16.201 1.00 0.00 H new ATOM 0 HG11 VAL C 10 16.281 1.139 -17.498 1.00 0.00 H new ATOM 0 HG12 VAL C 10 16.939 -0.253 -18.391 1.00 0.00 H new ATOM 0 HG13 VAL C 10 15.344 -0.370 -17.612 1.00 0.00 H new ATOM 0 HG21 VAL C 10 16.198 1.124 -15.043 1.00 0.00 H new ATOM 0 HG22 VAL C 10 15.242 -0.377 -15.032 1.00 0.00 H new ATOM 0 HG23 VAL C 10 16.772 -0.290 -14.126 1.00 0.00 H new ATOM 785 N ASP C 11 19.027 -2.714 -15.004 1.00 0.00 N ATOM 786 CA ASP C 11 19.749 -3.196 -13.836 1.00 0.00 C ATOM 787 C ASP C 11 20.880 -2.235 -13.509 1.00 0.00 C ATOM 788 O ASP C 11 21.397 -2.205 -12.389 1.00 0.00 O ATOM 789 CB ASP C 11 20.304 -4.599 -14.092 1.00 0.00 C ATOM 790 CG ASP C 11 20.791 -5.273 -12.824 1.00 0.00 C ATOM 791 OD1 ASP C 11 19.982 -5.957 -12.161 1.00 0.00 O ATOM 792 OD2 ASP C 11 21.987 -5.129 -12.483 1.00 0.00 O ATOM 0 H ASP C 11 19.611 -2.563 -15.827 1.00 0.00 H new ATOM 0 HA ASP C 11 19.064 -3.248 -12.990 1.00 0.00 H new ATOM 0 HB2 ASP C 11 19.530 -5.214 -14.552 1.00 0.00 H new ATOM 0 HB3 ASP C 11 21.126 -4.536 -14.805 1.00 0.00 H new ATOM 797 N ASP C 12 21.244 -1.430 -14.501 1.00 0.00 N ATOM 798 CA ASP C 12 22.268 -0.411 -14.339 1.00 0.00 C ATOM 799 C ASP C 12 21.632 0.866 -13.815 1.00 0.00 C ATOM 800 O ASP C 12 21.800 1.951 -14.378 1.00 0.00 O ATOM 801 CB ASP C 12 22.988 -0.145 -15.665 1.00 0.00 C ATOM 802 CG ASP C 12 23.739 -1.354 -16.176 1.00 0.00 C ATOM 803 OD1 ASP C 12 24.794 -1.689 -15.600 1.00 0.00 O ATOM 804 OD2 ASP C 12 23.281 -1.974 -17.160 1.00 0.00 O ATOM 0 H ASP C 12 20.838 -1.467 -15.436 1.00 0.00 H new ATOM 0 HA ASP C 12 23.008 -0.766 -13.622 1.00 0.00 H new ATOM 0 HB2 ASP C 12 22.259 0.167 -16.413 1.00 0.00 H new ATOM 0 HB3 ASP C 12 23.686 0.682 -15.535 1.00 0.00 H new ATOM 809 N ASP C 13 20.874 0.709 -12.747 1.00 0.00 N ATOM 810 CA ASP C 13 20.183 1.811 -12.106 1.00 0.00 C ATOM 811 C ASP C 13 20.230 1.587 -10.602 1.00 0.00 C ATOM 812 O ASP C 13 20.388 0.453 -10.144 1.00 0.00 O ATOM 813 CB ASP C 13 18.730 1.884 -12.596 1.00 0.00 C ATOM 814 CG ASP C 13 18.045 3.186 -12.223 1.00 0.00 C ATOM 815 OD1 ASP C 13 17.687 3.365 -11.038 1.00 0.00 O ATOM 816 OD2 ASP C 13 17.856 4.042 -13.117 1.00 0.00 O ATOM 0 H ASP C 13 20.719 -0.193 -12.297 1.00 0.00 H new ATOM 0 HA ASP C 13 20.666 2.756 -12.356 1.00 0.00 H new ATOM 0 HB2 ASP C 13 18.711 1.767 -13.680 1.00 0.00 H new ATOM 0 HB3 ASP C 13 18.168 1.050 -12.175 1.00 0.00 H new ATOM 821 N ASP C 14 20.120 2.666 -9.845 1.00 0.00 N ATOM 822 CA ASP C 14 20.233 2.613 -8.399 1.00 0.00 C ATOM 823 C ASP C 14 18.995 1.988 -7.766 1.00 0.00 C ATOM 824 O ASP C 14 19.057 1.442 -6.666 1.00 0.00 O ATOM 825 CB ASP C 14 20.446 4.025 -7.865 1.00 0.00 C ATOM 826 CG ASP C 14 20.564 4.074 -6.356 1.00 0.00 C ATOM 827 OD1 ASP C 14 21.627 3.685 -5.821 1.00 0.00 O ATOM 828 OD2 ASP C 14 19.603 4.515 -5.694 1.00 0.00 O ATOM 0 H ASP C 14 19.950 3.601 -10.216 1.00 0.00 H new ATOM 0 HA ASP C 14 21.085 1.985 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP C 14 21.350 4.443 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP C 14 19.615 4.656 -8.180 1.00 0.00 H new ATOM 833 N LYS C 15 17.868 2.089 -8.450 1.00 0.00 N ATOM 834 CA LYS C 15 16.626 1.526 -7.960 1.00 0.00 C ATOM 835 C LYS C 15 16.520 0.032 -8.270 1.00 0.00 C ATOM 836 O LYS C 15 17.408 -0.542 -8.902 1.00 0.00 O ATOM 837 CB LYS C 15 15.480 2.288 -8.578 1.00 0.00 C ATOM 838 CG LYS C 15 15.696 3.773 -8.452 1.00 0.00 C ATOM 839 CD LYS C 15 14.754 4.580 -9.327 1.00 0.00 C ATOM 840 CE LYS C 15 14.849 6.067 -9.022 1.00 0.00 C ATOM 841 NZ LYS C 15 14.326 6.391 -7.669 1.00 0.00 N ATOM 0 H LYS C 15 17.790 2.559 -9.352 1.00 0.00 H new ATOM 0 HA LYS C 15 16.594 1.621 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS C 15 15.383 2.018 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS C 15 14.546 2.009 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS C 15 15.561 4.068 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS C 15 16.726 4.010 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS C 15 14.992 4.407 -10.377 1.00 0.00 H new ATOM 0 HD3 LYS C 15 13.730 4.240 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS C 15 15.888 6.387 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS C 15 14.290 6.627 -9.771 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 14.154 7.414 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 13.435 5.879 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 15.022 6.107 -6.951 1.00 0.00 H new ATOM 855 N MET C 16 15.429 -0.591 -7.827 1.00 0.00 N ATOM 856 CA MET C 16 15.263 -2.029 -7.983 1.00 0.00 C ATOM 857 C MET C 16 13.792 -2.438 -8.137 1.00 0.00 C ATOM 858 O MET C 16 13.492 -3.359 -8.890 1.00 0.00 O ATOM 859 CB MET C 16 15.884 -2.778 -6.803 1.00 0.00 C ATOM 860 CG MET C 16 15.854 -4.288 -6.972 1.00 0.00 C ATOM 861 SD MET C 16 16.511 -5.169 -5.546 1.00 0.00 S ATOM 862 CE MET C 16 16.295 -6.864 -6.079 1.00 0.00 C ATOM 0 H MET C 16 14.652 -0.123 -7.360 1.00 0.00 H new ATOM 0 HA MET C 16 15.781 -2.302 -8.902 1.00 0.00 H new ATOM 0 HB2 MET C 16 16.917 -2.453 -6.677 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.352 -2.510 -5.890 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.827 -4.608 -7.148 1.00 0.00 H new ATOM 0 HG3 MET C 16 16.429 -4.560 -7.857 1.00 0.00 H new ATOM 0 HE1 MET C 16 16.656 -7.538 -5.302 1.00 0.00 H new ATOM 0 HE2 MET C 16 15.238 -7.055 -6.264 1.00 0.00 H new ATOM 0 HE3 MET C 16 16.860 -7.032 -6.996 1.00 0.00 H new ATOM 872 N LEU C 17 12.865 -1.775 -7.438 1.00 0.00 N ATOM 873 CA LEU C 17 11.462 -2.159 -7.552 1.00 0.00 C ATOM 874 C LEU C 17 10.740 -1.191 -8.452 1.00 0.00 C ATOM 875 O LEU C 17 10.951 0.023 -8.399 1.00 0.00 O ATOM 876 CB LEU C 17 10.695 -2.215 -6.241 1.00 0.00 C ATOM 877 CG LEU C 17 11.076 -3.265 -5.168 1.00 0.00 C ATOM 878 CD1 LEU C 17 12.358 -3.996 -5.470 1.00 0.00 C ATOM 879 CD2 LEU C 17 11.106 -2.631 -3.797 1.00 0.00 C ATOM 0 H LEU C 17 13.055 -0.996 -6.808 1.00 0.00 H new ATOM 0 HA LEU C 17 11.488 -3.173 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.774 -1.232 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU C 17 9.644 -2.368 -6.486 1.00 0.00 H new ATOM 0 HG LEU C 17 10.298 -4.028 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.562 -4.715 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU C 17 12.262 -4.521 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU C 17 13.179 -3.281 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU C 17 11.375 -3.382 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.842 -1.827 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU C 17 10.122 -2.225 -3.562 1.00 0.00 H new ATOM 891 N GLU C 18 9.876 -1.739 -9.247 1.00 0.00 N ATOM 892 CA GLU C 18 9.006 -0.966 -10.097 1.00 0.00 C ATOM 893 C GLU C 18 7.689 -0.831 -9.407 1.00 0.00 C ATOM 894 O GLU C 18 6.808 -1.681 -9.532 1.00 0.00 O ATOM 895 CB GLU C 18 8.865 -1.630 -11.445 1.00 0.00 C ATOM 896 CG GLU C 18 9.708 -0.989 -12.529 1.00 0.00 C ATOM 897 CD GLU C 18 9.712 -1.785 -13.808 1.00 0.00 C ATOM 898 OE1 GLU C 18 8.728 -1.697 -14.575 1.00 0.00 O ATOM 899 OE2 GLU C 18 10.700 -2.502 -14.060 1.00 0.00 O ATOM 0 H GLU C 18 9.748 -2.748 -9.330 1.00 0.00 H new ATOM 0 HA GLU C 18 9.422 0.026 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.143 -2.680 -11.354 1.00 0.00 H new ATOM 0 HB3 GLU C 18 7.818 -1.602 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU C 18 9.332 0.014 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU C 18 10.732 -0.879 -12.171 1.00 0.00 H new ATOM 906 N VAL C 19 7.589 0.229 -8.646 1.00 0.00 N ATOM 907 CA VAL C 19 6.494 0.413 -7.746 1.00 0.00 C ATOM 908 C VAL C 19 5.269 0.884 -8.477 1.00 0.00 C ATOM 909 O VAL C 19 4.896 2.047 -8.481 1.00 0.00 O ATOM 910 CB VAL C 19 6.908 1.356 -6.622 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.715 1.910 -5.859 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.786 0.607 -5.679 1.00 0.00 C ATOM 0 H VAL C 19 8.270 0.988 -8.638 1.00 0.00 H new ATOM 0 HA VAL C 19 6.229 -0.543 -7.295 1.00 0.00 H new ATOM 0 HB VAL C 19 7.431 2.203 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.065 2.575 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.072 2.464 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.152 1.088 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.093 1.266 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.239 -0.243 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.669 0.250 -6.210 1.00 0.00 H new ATOM 922 N LEU C 20 4.671 -0.048 -9.132 1.00 0.00 N ATOM 923 CA LEU C 20 3.422 0.202 -9.779 1.00 0.00 C ATOM 924 C LEU C 20 2.396 0.375 -8.667 1.00 0.00 C ATOM 925 O LEU C 20 2.473 -0.306 -7.649 1.00 0.00 O ATOM 926 CB LEU C 20 3.076 -0.963 -10.703 1.00 0.00 C ATOM 927 CG LEU C 20 4.141 -1.357 -11.733 1.00 0.00 C ATOM 928 CD1 LEU C 20 4.111 -2.851 -11.984 1.00 0.00 C ATOM 929 CD2 LEU C 20 3.901 -0.627 -13.039 1.00 0.00 C ATOM 0 H LEU C 20 5.026 -0.999 -9.237 1.00 0.00 H new ATOM 0 HA LEU C 20 3.450 1.094 -10.404 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.858 -1.835 -10.086 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.159 -0.714 -11.238 1.00 0.00 H new ATOM 0 HG LEU C 20 5.117 -1.080 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.874 -3.112 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU C 20 4.308 -3.381 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.130 -3.137 -12.363 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.664 -0.915 -13.762 1.00 0.00 H new ATOM 0 HD22 LEU C 20 2.916 -0.889 -13.426 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.950 0.449 -12.869 1.00 0.00 H new ATOM 941 N VAL C 21 1.484 1.309 -8.824 1.00 0.00 N ATOM 942 CA VAL C 21 0.598 1.715 -7.732 1.00 0.00 C ATOM 943 C VAL C 21 -0.719 2.271 -8.298 1.00 0.00 C ATOM 944 O VAL C 21 -0.733 3.296 -8.982 1.00 0.00 O ATOM 945 CB VAL C 21 1.295 2.799 -6.850 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.335 3.463 -5.884 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.448 2.209 -6.067 1.00 0.00 C ATOM 0 H VAL C 21 1.329 1.810 -9.699 1.00 0.00 H new ATOM 0 HA VAL C 21 0.379 0.843 -7.116 1.00 0.00 H new ATOM 0 HB VAL C 21 1.668 3.555 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.869 4.208 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.466 3.948 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.090 2.711 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.913 2.987 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.078 1.417 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.184 1.797 -6.758 1.00 0.00 H new ATOM 957 N LYS C 22 -1.816 1.584 -8.022 1.00 0.00 N ATOM 958 CA LYS C 22 -3.133 1.990 -8.495 1.00 0.00 C ATOM 959 C LYS C 22 -3.864 2.724 -7.379 1.00 0.00 C ATOM 960 O LYS C 22 -4.001 2.203 -6.279 1.00 0.00 O ATOM 961 CB LYS C 22 -3.985 0.774 -8.911 1.00 0.00 C ATOM 962 CG LYS C 22 -3.307 -0.229 -9.844 1.00 0.00 C ATOM 963 CD LYS C 22 -4.278 -1.322 -10.309 1.00 0.00 C ATOM 964 CE LYS C 22 -5.569 -0.776 -10.869 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.342 -1.850 -11.547 1.00 0.00 N ATOM 0 H LYS C 22 -1.820 0.730 -7.464 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.991 2.634 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.297 0.248 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.890 1.138 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.907 0.295 -10.712 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.462 -0.688 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.790 -1.932 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.504 -1.979 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -6.165 -0.343 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.355 0.026 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -7.017 -1.424 -12.214 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.690 -2.473 -12.065 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.860 -2.406 -10.837 1.00 0.00 H new ATOM 979 N THR C 23 -4.318 3.926 -7.668 1.00 0.00 N ATOM 980 CA THR C 23 -5.080 4.714 -6.715 1.00 0.00 C ATOM 981 C THR C 23 -6.546 4.305 -6.700 1.00 0.00 C ATOM 982 O THR C 23 -7.075 3.895 -5.678 1.00 0.00 O ATOM 983 CB THR C 23 -4.992 6.196 -7.064 1.00 0.00 C ATOM 984 OG1 THR C 23 -5.117 6.360 -8.485 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.680 6.786 -6.586 1.00 0.00 C ATOM 0 H THR C 23 -4.171 4.385 -8.567 1.00 0.00 H new ATOM 0 HA THR C 23 -4.651 4.533 -5.729 1.00 0.00 H new ATOM 0 HB THR C 23 -5.803 6.723 -6.562 1.00 0.00 H new ATOM 0 HG1 THR C 23 -5.381 7.282 -8.686 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.640 7.844 -6.846 1.00 0.00 H new ATOM 0 HG22 THR C 23 -3.604 6.675 -5.504 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.851 6.264 -7.063 1.00 0.00 H new ATOM 993 N LEU C 24 -7.196 4.448 -7.846 1.00 0.00 N ATOM 994 CA LEU C 24 -8.590 4.029 -8.018 1.00 0.00 C ATOM 995 C LEU C 24 -8.776 3.393 -9.380 1.00 0.00 C ATOM 996 O LEU C 24 -9.853 3.461 -9.972 1.00 0.00 O ATOM 997 CB LEU C 24 -9.519 5.217 -7.905 1.00 0.00 C ATOM 998 CG LEU C 24 -10.305 5.383 -6.587 1.00 0.00 C ATOM 999 CD1 LEU C 24 -11.152 4.153 -6.274 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -9.390 5.699 -5.408 1.00 0.00 C ATOM 0 H LEU C 24 -6.779 4.855 -8.683 1.00 0.00 H new ATOM 0 HA LEU C 24 -8.827 3.308 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -8.930 6.121 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.239 5.160 -8.721 1.00 0.00 H new ATOM 0 HG LEU C 24 -10.971 6.233 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -11.689 4.310 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -11.867 3.989 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.505 3.281 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -9.987 5.807 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -8.674 4.888 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -8.854 6.628 -5.602 1.00 0.00 H new ATOM 1012 N ASP C 25 -7.684 2.848 -9.882 1.00 0.00 N ATOM 1013 CA ASP C 25 -7.658 2.079 -11.137 1.00 0.00 C ATOM 1014 C ASP C 25 -7.528 3.002 -12.343 1.00 0.00 C ATOM 1015 O ASP C 25 -6.862 2.660 -13.323 1.00 0.00 O ATOM 1016 CB ASP C 25 -8.899 1.179 -11.281 1.00 0.00 C ATOM 1017 CG ASP C 25 -8.859 0.299 -12.516 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -9.089 0.803 -13.630 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -8.607 -0.911 -12.374 1.00 0.00 O ATOM 0 H ASP C 25 -6.771 2.921 -9.432 1.00 0.00 H new ATOM 0 HA ASP C 25 -6.781 1.433 -11.099 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -8.987 0.549 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -9.791 1.804 -11.317 1.00 0.00 H new ATOM 1024 N SER C 26 -8.146 4.174 -12.263 1.00 0.00 N ATOM 1025 CA SER C 26 -8.096 5.137 -13.354 1.00 0.00 C ATOM 1026 C SER C 26 -6.652 5.550 -13.663 1.00 0.00 C ATOM 1027 O SER C 26 -6.293 5.767 -14.821 1.00 0.00 O ATOM 1028 CB SER C 26 -8.937 6.363 -12.994 1.00 0.00 C ATOM 1029 OG SER C 26 -10.201 5.977 -12.471 1.00 0.00 O ATOM 0 H SER C 26 -8.687 4.480 -11.454 1.00 0.00 H new ATOM 0 HA SER C 26 -8.505 4.669 -14.249 1.00 0.00 H new ATOM 0 HB2 SER C 26 -8.406 6.970 -12.261 1.00 0.00 H new ATOM 0 HB3 SER C 26 -9.079 6.983 -13.879 1.00 0.00 H new ATOM 0 HG SER C 26 -10.720 6.777 -12.246 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.827 5.649 -12.625 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.434 6.035 -12.797 1.00 0.00 C ATOM 1037 C GLN C 27 -3.491 4.835 -12.972 1.00 0.00 C ATOM 1038 O GLN C 27 -3.094 4.537 -14.098 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.996 6.914 -11.634 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.781 8.205 -11.573 1.00 0.00 C ATOM 1041 CD GLN C 27 -4.328 9.130 -10.471 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -3.185 9.073 -10.021 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -5.211 10.019 -10.059 1.00 0.00 N ATOM 0 H GLN C 27 -6.100 5.467 -11.659 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.367 6.602 -13.726 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -4.123 6.368 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.934 7.140 -11.730 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.693 8.721 -12.529 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.837 7.973 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -6.149 10.030 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -4.956 10.695 -9.339 1.00 0.00 H new ATOM 1052 N THR C 28 -3.167 4.136 -11.872 1.00 0.00 N ATOM 1053 CA THR C 28 -2.114 3.109 -11.876 1.00 0.00 C ATOM 1054 C THR C 28 -0.780 3.703 -12.354 1.00 0.00 C ATOM 1055 O THR C 28 -0.509 3.760 -13.558 1.00 0.00 O ATOM 1056 CB THR C 28 -2.470 1.935 -12.789 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.666 1.294 -12.326 1.00 0.00 O ATOM 1058 CG2 THR C 28 -1.305 0.954 -12.841 1.00 0.00 C ATOM 0 H THR C 28 -3.620 4.264 -10.967 1.00 0.00 H new ATOM 0 HA THR C 28 -2.023 2.750 -10.851 1.00 0.00 H new ATOM 0 HB THR C 28 -2.656 2.303 -13.798 1.00 0.00 H new ATOM 0 HG1 THR C 28 -4.063 0.775 -13.056 1.00 0.00 H new ATOM 0 HG21 THR C 28 -1.562 0.119 -13.492 1.00 0.00 H new ATOM 0 HG22 THR C 28 -0.421 1.459 -13.230 1.00 0.00 H new ATOM 0 HG23 THR C 28 -1.098 0.582 -11.838 1.00 0.00 H new ATOM 1066 N ARG C 29 0.056 4.154 -11.431 1.00 0.00 N ATOM 1067 CA ARG C 29 1.335 4.723 -11.823 1.00 0.00 C ATOM 1068 C ARG C 29 2.476 4.075 -11.064 1.00 0.00 C ATOM 1069 O ARG C 29 2.307 3.636 -9.932 1.00 0.00 O ATOM 1070 CB ARG C 29 1.368 6.236 -11.600 1.00 0.00 C ATOM 1071 CG ARG C 29 0.425 7.016 -12.482 1.00 0.00 C ATOM 1072 CD ARG C 29 0.497 8.507 -12.191 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.284 9.293 -13.145 1.00 0.00 N ATOM 1074 CZ ARG C 29 -1.103 10.290 -12.805 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -1.264 10.628 -11.533 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.766 10.951 -13.743 1.00 0.00 N ATOM 0 H ARG C 29 -0.122 4.138 -10.427 1.00 0.00 H new ATOM 0 HA ARG C 29 1.458 4.525 -12.888 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.126 6.443 -10.558 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.384 6.594 -11.769 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.671 6.836 -13.529 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.595 6.663 -12.329 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.132 8.697 -11.182 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.537 8.832 -12.220 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.197 9.064 -14.135 1.00 0.00 H new ATOM 0 HH11 ARG C 29 -0.759 10.124 -10.804 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -1.893 11.392 -11.284 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.650 10.697 -14.724 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -2.392 11.713 -13.484 1.00 0.00 H new ATOM 1090 N THR C 30 3.629 4.025 -11.704 1.00 0.00 N ATOM 1091 CA THR C 30 4.791 3.377 -11.155 1.00 0.00 C ATOM 1092 C THR C 30 5.724 4.375 -10.479 1.00 0.00 C ATOM 1093 O THR C 30 5.947 5.483 -10.977 1.00 0.00 O ATOM 1094 CB THR C 30 5.551 2.662 -12.263 1.00 0.00 C ATOM 1095 OG1 THR C 30 4.662 2.330 -13.337 1.00 0.00 O ATOM 1096 CG2 THR C 30 6.211 1.417 -11.735 1.00 0.00 C ATOM 0 H THR C 30 3.780 4.437 -12.625 1.00 0.00 H new ATOM 0 HA THR C 30 4.449 2.663 -10.406 1.00 0.00 H new ATOM 0 HB THR C 30 6.325 3.332 -12.638 1.00 0.00 H new ATOM 0 HG1 THR C 30 5.161 1.872 -14.045 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.749 0.920 -12.542 1.00 0.00 H new ATOM 0 HG22 THR C 30 6.911 1.684 -10.943 1.00 0.00 H new ATOM 0 HG23 THR C 30 5.452 0.744 -11.337 1.00 0.00 H new ATOM 1104 N PHE C 31 6.270 3.961 -9.349 1.00 0.00 N ATOM 1105 CA PHE C 31 7.137 4.782 -8.541 1.00 0.00 C ATOM 1106 C PHE C 31 8.428 4.070 -8.260 1.00 0.00 C ATOM 1107 O PHE C 31 8.714 3.682 -7.128 1.00 0.00 O ATOM 1108 CB PHE C 31 6.465 5.085 -7.235 1.00 0.00 C ATOM 1109 CG PHE C 31 5.168 5.760 -7.405 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.136 6.931 -8.106 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.009 5.256 -6.847 1.00 0.00 C ATOM 1112 CE1 PHE C 31 3.956 7.618 -8.265 1.00 0.00 C ATOM 1113 CE2 PHE C 31 2.817 5.923 -7.005 1.00 0.00 C ATOM 1114 CZ PHE C 31 2.787 7.112 -7.715 1.00 0.00 C ATOM 0 H PHE C 31 6.117 3.028 -8.966 1.00 0.00 H new ATOM 0 HA PHE C 31 7.344 5.703 -9.086 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.317 4.156 -6.684 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.120 5.713 -6.631 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.045 7.321 -8.539 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.039 4.335 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE C 31 3.939 8.547 -8.815 1.00 0.00 H new ATOM 0 HE2 PHE C 31 1.910 5.522 -6.578 1.00 0.00 H new ATOM 0 HZ PHE C 31 1.856 7.644 -7.840 1.00 0.00 H new ATOM 1124 N ILE C 32 9.189 3.888 -9.293 1.00 0.00 N ATOM 1125 CA ILE C 32 10.397 3.115 -9.208 1.00 0.00 C ATOM 1126 C ILE C 32 11.389 3.634 -8.213 1.00 0.00 C ATOM 1127 O ILE C 32 11.867 4.772 -8.260 1.00 0.00 O ATOM 1128 CB ILE C 32 11.028 2.928 -10.564 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.078 2.144 -11.337 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.277 2.122 -10.466 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.347 2.868 -12.435 1.00 0.00 C ATOM 0 H ILE C 32 8.995 4.268 -10.219 1.00 0.00 H new ATOM 0 HA ILE C 32 10.089 2.140 -8.830 1.00 0.00 H new ATOM 0 HB ILE C 32 11.265 3.897 -11.004 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.610 1.302 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.339 1.730 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.712 2.002 -11.458 1.00 0.00 H new ATOM 0 HG22 ILE C 32 12.989 2.632 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.045 1.141 -10.051 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.669 2.178 -12.937 1.00 0.00 H new ATOM 0 HD12 ILE C 32 8.776 3.693 -12.009 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.066 3.258 -13.155 1.00 0.00 H new ATOM 1143 N VAL C 33 11.650 2.739 -7.307 1.00 0.00 N ATOM 1144 CA VAL C 33 12.600 2.925 -6.234 1.00 0.00 C ATOM 1145 C VAL C 33 13.435 1.697 -6.044 1.00 0.00 C ATOM 1146 O VAL C 33 13.382 0.766 -6.837 1.00 0.00 O ATOM 1147 CB VAL C 33 11.899 3.215 -4.909 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.259 4.557 -4.991 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.870 2.138 -4.602 1.00 0.00 C ATOM 0 H VAL C 33 11.195 1.826 -7.288 1.00 0.00 H new ATOM 0 HA VAL C 33 13.224 3.773 -6.516 1.00 0.00 H new ATOM 0 HB VAL C 33 12.627 3.211 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.754 4.777 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.021 5.313 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.532 4.565 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.381 2.362 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.125 2.110 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.366 1.170 -4.535 1.00 0.00 H new ATOM 1159 N GLY C 34 14.184 1.696 -4.973 1.00 0.00 N ATOM 1160 CA GLY C 34 14.988 0.541 -4.644 1.00 0.00 C ATOM 1161 C GLY C 34 14.203 -0.435 -3.792 1.00 0.00 C ATOM 1162 O GLY C 34 13.072 -0.142 -3.419 1.00 0.00 O ATOM 0 H GLY C 34 14.257 2.473 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.317 0.049 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY C 34 15.885 0.856 -4.111 1.00 0.00 H new ATOM 1166 N ALA C 35 14.789 -1.582 -3.463 1.00 0.00 N ATOM 1167 CA ALA C 35 14.070 -2.626 -2.727 1.00 0.00 C ATOM 1168 C ALA C 35 13.768 -2.220 -1.309 1.00 0.00 C ATOM 1169 O ALA C 35 12.944 -2.824 -0.635 1.00 0.00 O ATOM 1170 CB ALA C 35 14.863 -3.916 -2.670 1.00 0.00 C ATOM 0 H ALA C 35 15.755 -1.815 -3.691 1.00 0.00 H new ATOM 0 HA ALA C 35 13.139 -2.776 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.298 -4.666 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA C 35 15.048 -4.275 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.815 -3.736 -2.170 1.00 0.00 H new ATOM 1176 N GLN C 36 14.467 -1.225 -0.854 1.00 0.00 N ATOM 1177 CA GLN C 36 14.461 -0.879 0.541 1.00 0.00 C ATOM 1178 C GLN C 36 15.020 0.507 0.659 1.00 0.00 C ATOM 1179 O GLN C 36 15.592 0.912 1.670 1.00 0.00 O ATOM 1180 CB GLN C 36 15.292 -1.943 1.246 1.00 0.00 C ATOM 1181 CG GLN C 36 16.721 -1.997 0.763 1.00 0.00 C ATOM 1182 CD GLN C 36 17.543 -2.876 1.651 1.00 0.00 C ATOM 1183 OE1 GLN C 36 16.887 -3.830 2.278 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 18.755 -2.697 1.794 1.00 0.00 N flip ATOM 0 H GLN C 36 15.057 -0.629 -1.435 1.00 0.00 H new ATOM 0 HA GLN C 36 13.473 -0.863 1.000 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.285 -1.749 2.319 1.00 0.00 H new ATOM 0 HB3 GLN C 36 14.827 -2.917 1.095 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.751 -2.374 -0.259 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.143 -0.992 0.745 1.00 0.00 H new ATOM 0 HE21 GLN C 36 19.223 -1.945 1.288 1.00 0.00 H new ATOM 0 HE22 GLN C 36 19.290 -3.301 2.418 1.00 0.00 H new ATOM 1193 N MET C 37 14.823 1.217 -0.441 1.00 0.00 N ATOM 1194 CA MET C 37 15.288 2.576 -0.600 1.00 0.00 C ATOM 1195 C MET C 37 14.765 3.473 0.518 1.00 0.00 C ATOM 1196 O MET C 37 15.504 3.819 1.439 1.00 0.00 O ATOM 1197 CB MET C 37 14.853 3.080 -1.950 1.00 0.00 C ATOM 1198 CG MET C 37 15.339 4.468 -2.287 1.00 0.00 C ATOM 1199 SD MET C 37 13.979 5.639 -2.475 1.00 0.00 S ATOM 1200 CE MET C 37 14.868 7.116 -2.961 1.00 0.00 C ATOM 0 H MET C 37 14.328 0.856 -1.257 1.00 0.00 H new ATOM 0 HA MET C 37 16.376 2.596 -0.538 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.209 2.389 -2.714 1.00 0.00 H new ATOM 0 HB3 MET C 37 13.764 3.070 -1.994 1.00 0.00 H new ATOM 0 HG2 MET C 37 16.011 4.817 -1.502 1.00 0.00 H new ATOM 0 HG3 MET C 37 15.918 4.434 -3.210 1.00 0.00 H new ATOM 0 HE1 MET C 37 14.162 7.932 -3.115 1.00 0.00 H new ATOM 0 HE2 MET C 37 15.574 7.390 -2.177 1.00 0.00 H new ATOM 0 HE3 MET C 37 15.410 6.926 -3.887 1.00 0.00 H new ATOM 1210 N ASN C 38 13.497 3.853 0.434 1.00 0.00 N ATOM 1211 CA ASN C 38 12.856 4.606 1.490 1.00 0.00 C ATOM 1212 C ASN C 38 11.565 3.976 1.901 1.00 0.00 C ATOM 1213 O ASN C 38 11.530 3.186 2.831 1.00 0.00 O ATOM 1214 CB ASN C 38 12.591 6.035 1.040 1.00 0.00 C ATOM 1215 CG ASN C 38 13.830 6.883 1.031 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.740 6.687 1.831 1.00 0.00 O ATOM 1217 ND2 ASN C 38 13.872 7.830 0.129 1.00 0.00 N ATOM 0 H ASN C 38 12.893 3.648 -0.362 1.00 0.00 H new ATOM 0 HA ASN C 38 13.533 4.609 2.344 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.159 6.021 0.040 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.852 6.488 1.701 1.00 0.00 H new ATOM 0 HD21 ASN C 38 14.685 8.443 0.070 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.091 7.955 -0.515 1.00 0.00 H new ATOM 1224 N VAL C 39 10.537 4.329 1.155 1.00 0.00 N ATOM 1225 CA VAL C 39 9.144 4.073 1.469 1.00 0.00 C ATOM 1226 C VAL C 39 8.546 5.186 2.313 1.00 0.00 C ATOM 1227 O VAL C 39 7.364 5.471 2.223 1.00 0.00 O ATOM 1228 CB VAL C 39 8.841 2.713 2.097 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.875 2.843 3.570 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.476 2.259 1.661 1.00 0.00 C ATOM 0 H VAL C 39 10.655 4.825 0.272 1.00 0.00 H new ATOM 0 HA VAL C 39 8.664 4.048 0.491 1.00 0.00 H new ATOM 0 HB VAL C 39 9.584 1.982 1.778 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.660 1.876 4.026 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.863 3.180 3.883 1.00 0.00 H new ATOM 0 HG13 VAL C 39 8.127 3.569 3.889 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.256 1.289 2.107 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.730 2.985 1.985 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.451 2.173 0.575 1.00 0.00 H new ATOM 1240 N LYS C 40 9.371 5.842 3.091 1.00 0.00 N ATOM 1241 CA LYS C 40 8.920 6.876 3.966 1.00 0.00 C ATOM 1242 C LYS C 40 8.898 8.186 3.223 1.00 0.00 C ATOM 1243 O LYS C 40 7.847 8.705 2.846 1.00 0.00 O ATOM 1244 CB LYS C 40 9.866 6.934 5.162 1.00 0.00 C ATOM 1245 CG LYS C 40 10.466 5.601 5.525 1.00 0.00 C ATOM 1246 CD LYS C 40 11.924 5.482 5.093 1.00 0.00 C ATOM 1247 CE LYS C 40 12.887 5.983 6.166 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.816 7.454 6.368 1.00 0.00 N ATOM 0 H LYS C 40 10.375 5.668 3.130 1.00 0.00 H new ATOM 0 HA LYS C 40 7.909 6.675 4.320 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.670 7.637 4.944 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.325 7.325 6.023 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.396 5.456 6.603 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.886 4.805 5.058 1.00 0.00 H new ATOM 0 HD2 LYS C 40 12.149 4.441 4.863 1.00 0.00 H new ATOM 0 HD3 LYS C 40 12.077 6.051 4.176 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.666 5.481 7.108 1.00 0.00 H new ATOM 0 HE3 LYS C 40 13.905 5.708 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.560 7.750 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.954 7.937 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 11.885 7.707 6.756 1.00 0.00 H new ATOM 1262 N GLU C 41 10.084 8.679 2.988 1.00 0.00 N ATOM 1263 CA GLU C 41 10.310 9.828 2.172 1.00 0.00 C ATOM 1264 C GLU C 41 9.801 9.582 0.757 1.00 0.00 C ATOM 1265 O GLU C 41 9.414 10.504 0.040 1.00 0.00 O ATOM 1266 CB GLU C 41 11.798 10.075 2.192 1.00 0.00 C ATOM 1267 CG GLU C 41 12.329 10.248 3.603 1.00 0.00 C ATOM 1268 CD GLU C 41 13.762 9.800 3.755 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.676 10.556 3.368 1.00 0.00 O ATOM 1270 OE2 GLU C 41 13.973 8.687 4.279 1.00 0.00 O ATOM 0 H GLU C 41 10.939 8.277 3.372 1.00 0.00 H new ATOM 0 HA GLU C 41 9.773 10.700 2.545 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.310 9.241 1.712 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.025 10.967 1.608 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.250 11.297 3.888 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.703 9.682 4.293 1.00 0.00 H new ATOM 1277 N PHE C 42 9.808 8.318 0.380 1.00 0.00 N ATOM 1278 CA PHE C 42 9.266 7.859 -0.866 1.00 0.00 C ATOM 1279 C PHE C 42 7.761 8.144 -0.930 1.00 0.00 C ATOM 1280 O PHE C 42 7.275 8.724 -1.900 1.00 0.00 O ATOM 1281 CB PHE C 42 9.590 6.364 -0.960 1.00 0.00 C ATOM 1282 CG PHE C 42 8.925 5.619 -2.063 1.00 0.00 C ATOM 1283 CD1 PHE C 42 8.310 6.283 -3.085 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.914 4.242 -2.053 1.00 0.00 C ATOM 1285 CE1 PHE C 42 7.686 5.602 -4.093 1.00 0.00 C ATOM 1286 CE2 PHE C 42 8.292 3.540 -3.062 1.00 0.00 C ATOM 1287 CZ PHE C 42 7.674 4.226 -4.085 1.00 0.00 C ATOM 0 H PHE C 42 10.202 7.571 0.952 1.00 0.00 H new ATOM 0 HA PHE C 42 9.702 8.381 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.669 6.253 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.318 5.894 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE C 42 8.316 7.363 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.397 3.708 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE C 42 7.204 6.143 -4.894 1.00 0.00 H new ATOM 0 HE2 PHE C 42 8.289 2.460 -3.051 1.00 0.00 H new ATOM 0 HZ PHE C 42 7.181 3.685 -4.879 1.00 0.00 H new ATOM 1297 N LYS C 43 7.034 7.752 0.107 1.00 0.00 N ATOM 1298 CA LYS C 43 5.591 7.967 0.160 1.00 0.00 C ATOM 1299 C LYS C 43 5.261 9.451 0.041 1.00 0.00 C ATOM 1300 O LYS C 43 4.343 9.842 -0.679 1.00 0.00 O ATOM 1301 CB LYS C 43 5.034 7.408 1.466 1.00 0.00 C ATOM 1302 CG LYS C 43 4.200 6.136 1.329 1.00 0.00 C ATOM 1303 CD LYS C 43 4.956 4.972 0.689 1.00 0.00 C ATOM 1304 CE LYS C 43 4.858 4.981 -0.829 1.00 0.00 C ATOM 1305 NZ LYS C 43 5.245 3.669 -1.418 1.00 0.00 N ATOM 0 H LYS C 43 7.419 7.282 0.926 1.00 0.00 H new ATOM 0 HA LYS C 43 5.130 7.447 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.867 7.206 2.140 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.421 8.176 1.938 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.852 5.832 2.316 1.00 0.00 H new ATOM 0 HG3 LYS C 43 3.315 6.355 0.732 1.00 0.00 H new ATOM 0 HD2 LYS C 43 6.005 5.018 0.983 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.559 4.031 1.070 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.838 5.225 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS C 43 5.503 5.763 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 6.160 3.763 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 5.325 2.959 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 4.521 3.368 -2.101 1.00 0.00 H new ATOM 1319 N GLU C 44 6.030 10.263 0.751 1.00 0.00 N ATOM 1320 CA GLU C 44 5.914 11.706 0.700 1.00 0.00 C ATOM 1321 C GLU C 44 6.084 12.234 -0.730 1.00 0.00 C ATOM 1322 O GLU C 44 5.465 13.226 -1.117 1.00 0.00 O ATOM 1323 CB GLU C 44 6.980 12.298 1.603 1.00 0.00 C ATOM 1324 CG GLU C 44 6.611 13.643 2.184 1.00 0.00 C ATOM 1325 CD GLU C 44 7.661 14.167 3.141 1.00 0.00 C ATOM 1326 OE1 GLU C 44 8.649 14.781 2.679 1.00 0.00 O ATOM 1327 OE2 GLU C 44 7.514 13.958 4.363 1.00 0.00 O ATOM 0 H GLU C 44 6.758 9.932 1.384 1.00 0.00 H new ATOM 0 HA GLU C 44 4.919 11.998 1.036 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.179 11.603 2.419 1.00 0.00 H new ATOM 0 HB3 GLU C 44 7.906 12.399 1.038 1.00 0.00 H new ATOM 0 HG2 GLU C 44 6.472 14.359 1.374 1.00 0.00 H new ATOM 0 HG3 GLU C 44 5.657 13.561 2.705 1.00 0.00 H new ATOM 1334 N HIS C 45 6.938 11.569 -1.499 1.00 0.00 N ATOM 1335 CA HIS C 45 7.221 11.960 -2.866 1.00 0.00 C ATOM 1336 C HIS C 45 6.049 11.692 -3.807 1.00 0.00 C ATOM 1337 O HIS C 45 5.711 12.541 -4.629 1.00 0.00 O ATOM 1338 CB HIS C 45 8.474 11.240 -3.354 1.00 0.00 C ATOM 1339 CG HIS C 45 9.736 12.016 -3.135 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.474 11.944 -1.976 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.389 12.888 -3.937 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.523 12.737 -2.074 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.497 13.324 -3.253 1.00 0.00 N ATOM 0 H HIS C 45 7.451 10.744 -1.188 1.00 0.00 H new ATOM 0 HA HIS C 45 7.387 13.037 -2.874 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.554 10.281 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.369 11.026 -4.418 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.245 11.367 -1.167 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.093 13.186 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.277 12.881 -1.315 1.00 0.00 H new ATOM 1352 N ILE C 46 5.429 10.519 -3.695 1.00 0.00 N ATOM 1353 CA ILE C 46 4.353 10.153 -4.597 1.00 0.00 C ATOM 1354 C ILE C 46 3.059 10.846 -4.204 1.00 0.00 C ATOM 1355 O ILE C 46 2.132 10.926 -5.002 1.00 0.00 O ATOM 1356 CB ILE C 46 4.127 8.634 -4.620 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.477 8.141 -3.335 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.436 7.909 -4.831 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.079 6.683 -3.401 1.00 0.00 C ATOM 0 H ILE C 46 5.655 9.815 -2.993 1.00 0.00 H new ATOM 0 HA ILE C 46 4.649 10.477 -5.595 1.00 0.00 H new ATOM 0 HB ILE C 46 3.452 8.421 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.168 8.287 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.594 8.745 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.258 6.834 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.873 8.217 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.122 8.153 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.621 6.388 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.365 6.537 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.964 6.072 -3.582 1.00 0.00 H new ATOM 1371 N ALA C 47 3.022 11.355 -2.968 1.00 0.00 N ATOM 1372 CA ALA C 47 1.867 12.056 -2.422 1.00 0.00 C ATOM 1373 C ALA C 47 1.190 12.978 -3.431 1.00 0.00 C ATOM 1374 O ALA C 47 -0.019 12.916 -3.607 1.00 0.00 O ATOM 1375 CB ALA C 47 2.294 12.859 -1.208 1.00 0.00 C ATOM 0 H ALA C 47 3.804 11.288 -2.316 1.00 0.00 H new ATOM 0 HA ALA C 47 1.134 11.297 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.432 13.384 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.703 12.187 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.055 13.583 -1.500 1.00 0.00 H new ATOM 1381 N ALA C 48 1.952 13.819 -4.105 1.00 0.00 N ATOM 1382 CA ALA C 48 1.356 14.758 -5.045 1.00 0.00 C ATOM 1383 C ALA C 48 0.903 14.069 -6.319 1.00 0.00 C ATOM 1384 O ALA C 48 -0.186 14.343 -6.826 1.00 0.00 O ATOM 1385 CB ALA C 48 2.319 15.859 -5.389 1.00 0.00 C ATOM 0 H ALA C 48 2.967 13.874 -4.024 1.00 0.00 H new ATOM 0 HA ALA C 48 0.482 15.184 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.849 16.547 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.594 16.399 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.214 15.432 -5.842 1.00 0.00 H new ATOM 1391 N SER C 49 1.729 13.164 -6.827 1.00 0.00 N ATOM 1392 CA SER C 49 1.432 12.474 -8.070 1.00 0.00 C ATOM 1393 C SER C 49 0.203 11.577 -7.918 1.00 0.00 C ATOM 1394 O SER C 49 -0.392 11.145 -8.907 1.00 0.00 O ATOM 1395 CB SER C 49 2.650 11.661 -8.516 1.00 0.00 C ATOM 1396 OG SER C 49 3.634 11.615 -7.490 1.00 0.00 O ATOM 0 H SER C 49 2.612 12.892 -6.394 1.00 0.00 H new ATOM 0 HA SER C 49 1.205 13.216 -8.836 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.341 10.648 -8.775 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.078 12.103 -9.416 1.00 0.00 H new ATOM 0 HG SER C 49 4.402 11.089 -7.797 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.170 11.299 -6.674 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.364 10.517 -6.394 1.00 0.00 C ATOM 1404 C VAL C 50 -2.453 11.358 -5.730 1.00 0.00 C ATOM 1405 O VAL C 50 -3.582 10.888 -5.571 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.046 9.289 -5.515 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.140 8.323 -6.260 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.408 9.706 -4.199 1.00 0.00 C ATOM 0 H VAL C 50 0.339 11.605 -5.844 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.737 10.170 -7.358 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.986 8.785 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.074 7.463 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.636 7.988 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.793 8.825 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.195 8.820 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.521 10.241 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.091 10.357 -3.653 1.00 0.00 H new ATOM 1418 N SER C 51 -2.109 12.595 -5.334 1.00 0.00 N ATOM 1419 CA SER C 51 -3.057 13.501 -4.690 1.00 0.00 C ATOM 1420 C SER C 51 -3.366 12.992 -3.287 1.00 0.00 C ATOM 1421 O SER C 51 -4.369 13.355 -2.672 1.00 0.00 O ATOM 1422 CB SER C 51 -4.333 13.651 -5.526 1.00 0.00 C ATOM 1423 OG SER C 51 -5.204 14.638 -4.992 1.00 0.00 O ATOM 0 H SER C 51 -1.174 12.986 -5.452 1.00 0.00 H new ATOM 0 HA SER C 51 -2.610 14.492 -4.614 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.067 13.917 -6.549 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.853 12.694 -5.570 1.00 0.00 H new ATOM 0 HG SER C 51 -5.246 14.545 -4.017 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.476 12.150 -2.786 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.639 11.561 -1.476 1.00 0.00 C ATOM 1431 C ILE C 52 -1.385 11.755 -0.634 1.00 0.00 C ATOM 1432 O ILE C 52 -0.363 11.120 -0.891 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.920 10.048 -1.551 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.113 9.739 -2.454 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.180 9.521 -0.148 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.436 9.903 -1.751 1.00 0.00 C ATOM 0 H ILE C 52 -1.629 11.861 -3.275 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.491 12.066 -1.022 1.00 0.00 H new ATOM 0 HB ILE C 52 -2.048 9.557 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -4.085 10.396 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -4.028 8.717 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.380 8.450 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.305 9.701 0.476 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -4.042 10.033 0.279 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.246 9.670 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.481 9.226 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.539 10.931 -1.404 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.448 12.600 0.403 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.307 12.835 1.286 1.00 0.00 C ATOM 1450 C PRO C 53 0.006 11.600 2.116 1.00 0.00 C ATOM 1451 O PRO C 53 -0.891 10.854 2.481 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.750 13.976 2.181 1.00 0.00 C ATOM 1453 CG PRO C 53 -2.055 14.467 1.640 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.634 13.346 0.831 1.00 0.00 C ATOM 0 HA PRO C 53 0.601 13.066 0.729 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.861 13.638 3.211 1.00 0.00 H new ATOM 0 HB3 PRO C 53 -0.008 14.775 2.185 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.728 14.748 2.450 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.909 15.354 1.024 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.308 12.727 1.424 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.206 13.716 -0.020 1.00 0.00 H new ATOM 1462 N SER C 54 1.292 11.399 2.405 1.00 0.00 N ATOM 1463 CA SER C 54 1.772 10.211 3.119 1.00 0.00 C ATOM 1464 C SER C 54 1.052 10.019 4.457 1.00 0.00 C ATOM 1465 O SER C 54 0.942 8.896 4.952 1.00 0.00 O ATOM 1466 CB SER C 54 3.291 10.298 3.340 1.00 0.00 C ATOM 1467 OG SER C 54 3.785 9.147 4.004 1.00 0.00 O ATOM 0 H SER C 54 2.032 12.054 2.152 1.00 0.00 H new ATOM 0 HA SER C 54 1.549 9.344 2.498 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.794 10.409 2.379 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.524 11.186 3.927 1.00 0.00 H new ATOM 0 HG SER C 54 4.750 9.070 3.851 1.00 0.00 H new ATOM 1473 N GLU C 55 0.550 11.110 5.028 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.177 11.044 6.291 1.00 0.00 C ATOM 1475 C GLU C 55 -1.586 10.477 6.087 1.00 0.00 C ATOM 1476 O GLU C 55 -2.230 10.034 7.036 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.255 12.424 6.937 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.984 13.421 6.101 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.133 14.768 6.774 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -2.005 14.899 7.657 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -0.387 15.704 6.424 1.00 0.00 O ATOM 0 H GLU C 55 0.633 12.048 4.637 1.00 0.00 H new ATOM 0 HA GLU C 55 0.369 10.374 6.956 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.750 12.338 7.904 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.755 12.787 7.127 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.455 13.550 5.157 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.973 13.031 5.861 1.00 0.00 H new ATOM 1488 N LYS C 56 -2.056 10.491 4.846 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.380 9.975 4.511 1.00 0.00 C ATOM 1490 C LYS C 56 -3.278 8.844 3.506 1.00 0.00 C ATOM 1491 O LYS C 56 -4.282 8.264 3.105 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.258 11.074 3.918 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.604 12.180 4.898 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.352 13.309 4.215 1.00 0.00 C ATOM 1495 CE LYS C 56 -5.681 14.424 5.191 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.347 15.572 4.521 1.00 0.00 N ATOM 0 H LYS C 56 -1.536 10.857 4.048 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.828 9.607 5.434 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.748 11.510 3.059 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.181 10.628 3.548 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.212 11.775 5.707 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.691 12.567 5.350 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.749 13.705 3.397 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -6.272 12.924 3.775 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.329 14.038 5.978 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -4.765 14.767 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -6.554 16.311 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -5.719 15.958 3.787 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.234 15.251 4.083 1.00 0.00 H new ATOM 1510 N GLN C 57 -2.064 8.537 3.100 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.842 7.537 2.078 1.00 0.00 C ATOM 1512 C GLN C 57 -1.603 6.170 2.716 1.00 0.00 C ATOM 1513 O GLN C 57 -0.781 6.026 3.626 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.671 7.969 1.170 1.00 0.00 C ATOM 1515 CG GLN C 57 0.451 6.958 1.042 1.00 0.00 C ATOM 1516 CD GLN C 57 1.393 7.251 -0.114 1.00 0.00 C ATOM 1517 OE1 GLN C 57 1.962 6.329 -0.688 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.581 8.521 -0.469 1.00 0.00 N ATOM 0 H GLN C 57 -1.214 8.967 3.464 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.731 7.448 1.453 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -1.063 8.182 0.175 1.00 0.00 H new ATOM 0 HB3 GLN C 57 -0.257 8.901 1.556 1.00 0.00 H new ATOM 0 HG2 GLN C 57 1.021 6.938 1.971 1.00 0.00 H new ATOM 0 HG3 GLN C 57 0.023 5.964 0.910 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.093 9.267 0.027 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.212 8.748 -1.237 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.383 5.190 2.288 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.180 3.806 2.700 1.00 0.00 C ATOM 1529 C ARG C 58 -1.970 2.921 1.475 1.00 0.00 C ATOM 1530 O ARG C 58 -2.797 2.904 0.562 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.364 3.306 3.541 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.426 3.949 4.919 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.742 3.683 5.643 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.843 2.333 6.191 1.00 0.00 N ATOM 1535 CZ ARG C 58 -4.403 1.980 7.404 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -3.737 2.845 8.162 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -4.639 0.762 7.860 1.00 0.00 N ATOM 0 H ARG C 58 -3.168 5.327 1.651 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.286 3.756 3.322 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.293 3.510 3.009 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.292 2.224 3.653 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.602 3.574 5.526 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.284 5.025 4.818 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -4.855 4.404 6.452 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -5.568 3.849 4.951 1.00 0.00 H new ATOM 0 HE ARG C 58 -5.277 1.614 5.612 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -3.557 3.789 7.820 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -3.406 2.565 9.085 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -5.155 0.094 7.287 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -4.305 0.490 8.784 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.845 2.216 1.454 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.492 1.346 0.336 1.00 0.00 C ATOM 1553 C LEU C 59 -0.989 -0.057 0.604 1.00 0.00 C ATOM 1554 O LEU C 59 -0.411 -0.767 1.401 1.00 0.00 O ATOM 1555 CB LEU C 59 1.033 1.288 0.151 1.00 0.00 C ATOM 1556 CG LEU C 59 1.736 2.594 -0.147 1.00 0.00 C ATOM 1557 CD1 LEU C 59 0.939 3.364 -1.157 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.941 3.385 1.132 1.00 0.00 C ATOM 0 H LEU C 59 -0.155 2.230 2.205 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.954 1.751 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.469 0.867 1.057 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.250 0.593 -0.660 1.00 0.00 H new ATOM 0 HG LEU C 59 2.723 2.398 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU C 59 1.441 4.306 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU C 59 0.850 2.779 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU C 59 -0.055 3.567 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.448 4.322 0.903 1.00 0.00 H new ATOM 0 HD22 LEU C 59 0.974 3.597 1.587 1.00 0.00 H new ATOM 0 HD23 LEU C 59 2.549 2.804 1.826 1.00 0.00 H new ATOM 1570 N ILE C 60 -2.051 -0.472 -0.036 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.520 -1.819 0.175 1.00 0.00 C ATOM 1572 C ILE C 60 -2.110 -2.718 -0.969 1.00 0.00 C ATOM 1573 O ILE C 60 -2.421 -2.451 -2.129 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.035 -1.905 0.322 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.549 -0.754 1.167 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.397 -3.233 0.962 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -6.035 -0.546 1.026 1.00 0.00 C ATOM 0 H ILE C 60 -2.597 0.086 -0.692 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.061 -2.146 1.108 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.500 -1.838 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.311 -0.943 2.214 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.030 0.161 0.882 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.479 -3.302 1.070 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.043 -4.049 0.332 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.929 -3.303 1.944 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.346 0.290 1.653 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.275 -0.328 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.560 -1.449 1.338 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.403 -3.774 -0.649 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.112 -4.787 -1.628 1.00 0.00 C ATOM 1591 C TYR C 61 -1.340 -6.157 -1.014 1.00 0.00 C ATOM 1592 O TYR C 61 -0.884 -6.428 0.095 1.00 0.00 O ATOM 1593 CB TYR C 61 0.308 -4.638 -2.190 1.00 0.00 C ATOM 1594 CG TYR C 61 0.570 -5.578 -3.338 1.00 0.00 C ATOM 1595 CD1 TYR C 61 -0.270 -5.582 -4.440 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.628 -6.475 -3.314 1.00 0.00 C ATOM 1597 CE1 TYR C 61 -0.066 -6.450 -5.490 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.838 -7.353 -4.360 1.00 0.00 C ATOM 1599 CZ TYR C 61 0.986 -7.335 -5.446 1.00 0.00 C ATOM 1600 OH TYR C 61 1.184 -8.209 -6.492 1.00 0.00 O ATOM 0 H TYR C 61 -1.020 -3.952 0.280 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.787 -4.668 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.459 -3.611 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.032 -4.826 -1.397 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -1.100 -4.892 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.297 -6.487 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.728 -6.436 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.663 -8.049 -4.328 1.00 0.00 H new ATOM 0 HH TYR C 61 0.658 -7.917 -7.266 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.062 -7.002 -1.745 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.525 -8.298 -1.247 1.00 0.00 C ATOM 1612 C GLN C 62 -3.184 -8.182 0.134 1.00 0.00 C ATOM 1613 O GLN C 62 -3.003 -9.038 0.999 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.353 -9.268 -1.225 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.574 -9.260 -2.531 1.00 0.00 C ATOM 1616 CD GLN C 62 -1.318 -9.893 -3.699 1.00 0.00 C ATOM 1617 OE1 GLN C 62 -2.544 -9.851 -3.779 1.00 0.00 O ATOM 1618 NE2 GLN C 62 -0.572 -10.487 -4.617 1.00 0.00 N ATOM 0 H GLN C 62 -2.345 -6.807 -2.705 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.295 -8.677 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.685 -9.009 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.721 -10.275 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -0.325 -8.230 -2.787 1.00 0.00 H new ATOM 0 HG3 GLN C 62 0.368 -9.789 -2.384 1.00 0.00 H new ATOM 0 HE21 GLN C 62 0.443 -10.502 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN C 62 -1.012 -10.929 -5.424 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.945 -7.102 0.327 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.682 -6.897 1.568 1.00 0.00 C ATOM 1629 C GLY C 63 -3.788 -6.546 2.742 1.00 0.00 C ATOM 1630 O GLY C 63 -4.251 -6.469 3.884 1.00 0.00 O ATOM 0 H GLY C 63 -4.064 -6.359 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.411 -6.099 1.423 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.243 -7.802 1.804 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.510 -6.345 2.469 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.564 -5.945 3.495 1.00 0.00 C ATOM 1636 C ARG C 64 -1.365 -4.443 3.429 1.00 0.00 C ATOM 1637 O ARG C 64 -1.184 -3.885 2.345 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.222 -6.656 3.306 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.309 -8.178 3.303 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.687 -8.741 4.668 1.00 0.00 C ATOM 1641 NE ARG C 64 -2.077 -8.461 5.023 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.631 -8.782 6.189 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -1.920 -9.395 7.128 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -3.899 -8.486 6.411 1.00 0.00 N ATOM 0 H ARG C 64 -2.103 -6.453 1.540 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.962 -6.224 4.471 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.219 -6.328 2.365 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.455 -6.345 4.101 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -1.046 -8.496 2.565 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.650 -8.593 2.995 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.525 -9.819 4.671 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.029 -8.318 5.427 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.660 -7.989 4.332 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -0.941 -9.624 6.958 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -2.353 -9.637 8.019 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.446 -8.015 5.691 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -4.331 -8.729 7.303 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.408 -3.786 4.573 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.315 -2.341 4.605 1.00 0.00 C ATOM 1660 C VAL C 65 0.150 -1.900 4.679 1.00 0.00 C ATOM 1661 O VAL C 65 0.746 -1.839 5.756 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.102 -1.746 5.790 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.673 -0.387 5.416 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.218 -2.685 6.236 1.00 0.00 C ATOM 0 H VAL C 65 -1.506 -4.228 5.487 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.758 -1.965 3.683 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.412 -1.621 6.625 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.226 0.021 6.262 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.860 0.290 5.154 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.343 -0.496 4.563 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.756 -2.239 7.073 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.907 -2.850 5.408 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.789 -3.638 6.546 1.00 0.00 H new ATOM 1674 N LEU C 66 0.725 -1.623 3.516 1.00 0.00 N ATOM 1675 CA LEU C 66 2.106 -1.167 3.401 1.00 0.00 C ATOM 1676 C LEU C 66 2.156 0.338 3.651 1.00 0.00 C ATOM 1677 O LEU C 66 1.156 1.034 3.449 1.00 0.00 O ATOM 1678 CB LEU C 66 2.671 -1.463 2.006 1.00 0.00 C ATOM 1679 CG LEU C 66 1.928 -2.519 1.177 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.482 -2.546 -0.232 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.023 -3.900 1.809 1.00 0.00 C ATOM 0 H LEU C 66 0.245 -1.709 2.620 1.00 0.00 H new ATOM 0 HA LEU C 66 2.709 -1.698 4.138 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.685 -0.532 1.439 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.707 -1.784 2.118 1.00 0.00 H new ATOM 0 HG LEU C 66 0.873 -2.245 1.148 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.952 -3.297 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.351 -1.567 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.543 -2.793 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.485 -4.620 1.193 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.070 -4.196 1.882 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.583 -3.875 2.806 1.00 0.00 H new ATOM 1693 N GLN C 67 3.307 0.849 4.066 1.00 0.00 N ATOM 1694 CA GLN C 67 3.411 2.255 4.442 1.00 0.00 C ATOM 1695 C GLN C 67 4.865 2.676 4.648 1.00 0.00 C ATOM 1696 O GLN C 67 5.784 1.937 4.300 1.00 0.00 O ATOM 1697 CB GLN C 67 2.590 2.510 5.711 1.00 0.00 C ATOM 1698 CG GLN C 67 2.843 1.489 6.805 1.00 0.00 C ATOM 1699 CD GLN C 67 1.860 1.603 7.953 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.366 2.688 8.261 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.562 0.482 8.586 1.00 0.00 N ATOM 0 H GLN C 67 4.174 0.319 4.151 1.00 0.00 H new ATOM 0 HA GLN C 67 3.012 2.858 3.627 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.822 3.505 6.091 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.530 2.505 5.457 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.785 0.487 6.381 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.856 1.615 7.186 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.994 -0.396 8.299 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.900 0.495 9.362 1.00 0.00 H new ATOM 1710 N ASP C 68 5.055 3.870 5.208 1.00 0.00 N ATOM 1711 CA ASP C 68 6.375 4.422 5.520 1.00 0.00 C ATOM 1712 C ASP C 68 7.136 3.566 6.551 1.00 0.00 C ATOM 1713 O ASP C 68 8.256 3.894 6.938 1.00 0.00 O ATOM 1714 CB ASP C 68 6.240 5.871 6.017 1.00 0.00 C ATOM 1715 CG ASP C 68 5.406 5.991 7.273 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.162 5.946 7.169 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.988 6.150 8.368 1.00 0.00 O ATOM 0 H ASP C 68 4.286 4.491 5.462 1.00 0.00 H new ATOM 0 HA ASP C 68 6.960 4.410 4.600 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.233 6.278 6.207 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.792 6.478 5.231 1.00 0.00 H new ATOM 1722 N ASP C 69 6.503 2.483 6.995 1.00 0.00 N ATOM 1723 CA ASP C 69 7.039 1.581 8.030 1.00 0.00 C ATOM 1724 C ASP C 69 8.337 0.882 7.596 1.00 0.00 C ATOM 1725 O ASP C 69 8.944 0.144 8.374 1.00 0.00 O ATOM 1726 CB ASP C 69 5.974 0.541 8.369 1.00 0.00 C ATOM 1727 CG ASP C 69 6.284 -0.262 9.616 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.603 0.346 10.662 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.191 -1.506 9.562 1.00 0.00 O ATOM 0 H ASP C 69 5.589 2.197 6.645 1.00 0.00 H new ATOM 0 HA ASP C 69 7.288 2.182 8.905 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.016 1.044 8.500 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.863 -0.141 7.526 1.00 0.00 H new ATOM 1734 N LYS C 70 8.727 1.117 6.347 1.00 0.00 N ATOM 1735 CA LYS C 70 10.041 0.725 5.805 1.00 0.00 C ATOM 1736 C LYS C 70 10.105 -0.722 5.322 1.00 0.00 C ATOM 1737 O LYS C 70 9.213 -1.530 5.589 1.00 0.00 O ATOM 1738 CB LYS C 70 11.156 0.998 6.816 1.00 0.00 C ATOM 1739 CG LYS C 70 11.218 2.450 7.250 1.00 0.00 C ATOM 1740 CD LYS C 70 12.422 2.719 8.138 1.00 0.00 C ATOM 1741 CE LYS C 70 12.270 2.055 9.497 1.00 0.00 C ATOM 1742 NZ LYS C 70 13.489 2.203 10.333 1.00 0.00 N ATOM 0 H LYS C 70 8.136 1.592 5.665 1.00 0.00 H new ATOM 0 HA LYS C 70 10.190 1.348 4.923 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.006 0.368 7.693 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.113 0.714 6.379 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.264 3.091 6.370 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.305 2.709 7.786 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.325 2.351 7.651 1.00 0.00 H new ATOM 0 HD3 LYS C 70 12.546 3.794 8.269 1.00 0.00 H new ATOM 0 HE2 LYS C 70 11.418 2.491 10.019 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.052 0.996 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 13.340 1.735 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 14.298 1.765 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 13.684 3.213 10.487 1.00 0.00 H new ATOM 1756 N LYS C 71 11.195 -1.018 4.601 1.00 0.00 N ATOM 1757 CA LYS C 71 11.448 -2.331 4.006 1.00 0.00 C ATOM 1758 C LYS C 71 10.457 -2.652 2.890 1.00 0.00 C ATOM 1759 O LYS C 71 9.513 -3.421 3.072 1.00 0.00 O ATOM 1760 CB LYS C 71 11.445 -3.442 5.058 1.00 0.00 C ATOM 1761 CG LYS C 71 12.805 -3.709 5.689 1.00 0.00 C ATOM 1762 CD LYS C 71 13.269 -2.563 6.570 1.00 0.00 C ATOM 1763 CE LYS C 71 14.638 -2.847 7.169 1.00 0.00 C ATOM 1764 NZ LYS C 71 15.047 -1.803 8.144 1.00 0.00 N ATOM 0 H LYS C 71 11.934 -0.340 4.414 1.00 0.00 H new ATOM 0 HA LYS C 71 12.445 -2.284 3.567 1.00 0.00 H new ATOM 0 HB2 LYS C 71 10.737 -3.180 5.845 1.00 0.00 H new ATOM 0 HB3 LYS C 71 11.084 -4.362 4.598 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.754 -4.622 6.282 1.00 0.00 H new ATOM 0 HG3 LYS C 71 13.540 -3.880 4.903 1.00 0.00 H new ATOM 0 HD2 LYS C 71 13.309 -1.644 5.985 1.00 0.00 H new ATOM 0 HD3 LYS C 71 12.546 -2.400 7.370 1.00 0.00 H new ATOM 0 HE2 LYS C 71 14.623 -3.818 7.663 1.00 0.00 H new ATOM 0 HE3 LYS C 71 15.378 -2.907 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 15.985 -2.035 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 15.087 -0.879 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 14.356 -1.763 8.920 1.00 0.00 H new ATOM 1778 N LEU C 72 10.712 -2.076 1.723 1.00 0.00 N ATOM 1779 CA LEU C 72 9.878 -2.287 0.544 1.00 0.00 C ATOM 1780 C LEU C 72 9.877 -3.752 0.109 1.00 0.00 C ATOM 1781 O LEU C 72 8.876 -4.258 -0.390 1.00 0.00 O ATOM 1782 CB LEU C 72 10.376 -1.414 -0.608 1.00 0.00 C ATOM 1783 CG LEU C 72 10.119 0.082 -0.457 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.110 0.878 -1.287 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.699 0.409 -0.882 1.00 0.00 C ATOM 0 H LEU C 72 11.502 -1.450 1.565 1.00 0.00 H new ATOM 0 HA LEU C 72 8.857 -2.010 0.806 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.449 -1.571 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.904 -1.755 -1.529 1.00 0.00 H new ATOM 0 HG LEU C 72 10.248 0.355 0.590 1.00 0.00 H new ATOM 0 HD11 LEU C 72 10.912 1.943 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.124 0.658 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.007 0.605 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.523 1.479 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU C 72 8.556 0.124 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU C 72 7.996 -0.141 -0.256 1.00 0.00 H new ATOM 1797 N GLN C 73 11.000 -4.429 0.308 1.00 0.00 N ATOM 1798 CA GLN C 73 11.164 -5.802 -0.099 1.00 0.00 C ATOM 1799 C GLN C 73 10.314 -6.750 0.736 1.00 0.00 C ATOM 1800 O GLN C 73 10.051 -7.877 0.322 1.00 0.00 O ATOM 1801 CB GLN C 73 12.633 -6.168 -0.002 1.00 0.00 C ATOM 1802 CG GLN C 73 13.315 -5.665 1.260 1.00 0.00 C ATOM 1803 CD GLN C 73 14.712 -6.228 1.456 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.176 -6.367 2.585 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.392 -6.559 0.368 1.00 0.00 N ATOM 0 H GLN C 73 11.823 -4.031 0.760 1.00 0.00 H new ATOM 0 HA GLN C 73 10.823 -5.904 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.730 -7.253 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.155 -5.765 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.371 -4.577 1.225 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.702 -5.924 2.123 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.974 -6.430 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.333 -6.943 0.452 1.00 0.00 H new ATOM 1814 N GLU C 74 9.880 -6.296 1.904 1.00 0.00 N ATOM 1815 CA GLU C 74 8.946 -7.070 2.706 1.00 0.00 C ATOM 1816 C GLU C 74 7.574 -7.026 2.070 1.00 0.00 C ATOM 1817 O GLU C 74 6.775 -7.946 2.219 1.00 0.00 O ATOM 1818 CB GLU C 74 8.873 -6.564 4.141 1.00 0.00 C ATOM 1819 CG GLU C 74 10.110 -6.892 4.949 1.00 0.00 C ATOM 1820 CD GLU C 74 9.895 -6.710 6.436 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.142 -7.509 7.031 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.464 -5.768 7.019 1.00 0.00 O ATOM 0 H GLU C 74 10.157 -5.404 2.313 1.00 0.00 H new ATOM 0 HA GLU C 74 9.306 -8.098 2.740 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.728 -5.484 4.132 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.001 -6.999 4.630 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.407 -7.922 4.751 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.932 -6.255 4.623 1.00 0.00 H new ATOM 1829 N TYR C 75 7.314 -5.945 1.351 1.00 0.00 N ATOM 1830 CA TYR C 75 6.055 -5.790 0.659 1.00 0.00 C ATOM 1831 C TYR C 75 6.179 -6.423 -0.720 1.00 0.00 C ATOM 1832 O TYR C 75 5.189 -6.781 -1.360 1.00 0.00 O ATOM 1833 CB TYR C 75 5.679 -4.309 0.531 1.00 0.00 C ATOM 1834 CG TYR C 75 5.770 -3.517 1.823 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.156 -3.958 2.990 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.469 -2.318 1.867 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.239 -3.229 4.160 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.554 -1.580 3.033 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.937 -2.041 4.175 1.00 0.00 C ATOM 1840 OH TYR C 75 6.009 -1.308 5.334 1.00 0.00 O ATOM 0 H TYR C 75 7.961 -5.165 1.235 1.00 0.00 H new ATOM 0 HA TYR C 75 5.267 -6.283 1.228 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.331 -3.846 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.661 -4.239 0.149 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.605 -4.887 2.981 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.955 -1.955 0.974 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.759 -3.588 5.059 1.00 0.00 H new ATOM 0 HE2 TYR C 75 7.100 -0.649 3.048 1.00 0.00 H new ATOM 0 HH TYR C 75 6.945 -1.225 5.611 1.00 0.00 H new ATOM 1850 N ASN C 76 7.445 -6.535 -1.155 1.00 0.00 N ATOM 1851 CA ASN C 76 7.823 -7.215 -2.393 1.00 0.00 C ATOM 1852 C ASN C 76 7.137 -6.572 -3.592 1.00 0.00 C ATOM 1853 O ASN C 76 6.705 -7.254 -4.518 1.00 0.00 O ATOM 1854 CB ASN C 76 7.475 -8.707 -2.310 1.00 0.00 C ATOM 1855 CG ASN C 76 8.028 -9.512 -3.476 1.00 0.00 C ATOM 1856 OD1 ASN C 76 9.109 -9.221 -3.993 1.00 0.00 O ATOM 1857 ND2 ASN C 76 7.290 -10.522 -3.907 1.00 0.00 N ATOM 0 H ASN C 76 8.240 -6.149 -0.646 1.00 0.00 H new ATOM 0 HA ASN C 76 8.901 -7.117 -2.524 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.865 -9.114 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.391 -8.821 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN C 76 7.610 -11.089 -4.692 1.00 0.00 H new ATOM 0 HD22 ASN C 76 6.401 -10.733 -3.454 1.00 0.00 H new ATOM 1864 N VAL C 77 7.060 -5.250 -3.593 1.00 0.00 N ATOM 1865 CA VAL C 77 6.258 -4.567 -4.606 1.00 0.00 C ATOM 1866 C VAL C 77 7.046 -4.269 -5.888 1.00 0.00 C ATOM 1867 O VAL C 77 6.569 -3.533 -6.754 1.00 0.00 O ATOM 1868 CB VAL C 77 5.606 -3.278 -4.056 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.789 -3.599 -2.812 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.642 -2.211 -3.751 1.00 0.00 C ATOM 0 H VAL C 77 7.528 -4.639 -2.924 1.00 0.00 H new ATOM 0 HA VAL C 77 5.462 -5.263 -4.871 1.00 0.00 H new ATOM 0 HB VAL C 77 4.946 -2.880 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL C 77 4.333 -2.685 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL C 77 4.008 -4.316 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL C 77 5.440 -4.025 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL C 77 6.145 -1.320 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL C 77 7.342 -2.586 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL C 77 7.184 -1.959 -4.663 1.00 0.00 H new ATOM 1880 N GLY C 78 8.252 -4.833 -6.013 1.00 0.00 N ATOM 1881 CA GLY C 78 8.977 -4.755 -7.251 1.00 0.00 C ATOM 1882 C GLY C 78 8.262 -5.391 -8.391 1.00 0.00 C ATOM 1883 O GLY C 78 8.249 -6.608 -8.574 1.00 0.00 O ATOM 0 H GLY C 78 8.730 -5.341 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.166 -3.708 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.948 -5.234 -7.127 1.00 0.00 H new ATOM 1887 N GLY C 79 7.655 -4.528 -9.122 1.00 0.00 N ATOM 1888 CA GLY C 79 7.032 -4.895 -10.385 1.00 0.00 C ATOM 1889 C GLY C 79 5.557 -5.222 -10.276 1.00 0.00 C ATOM 1890 O GLY C 79 4.982 -5.829 -11.178 1.00 0.00 O ATOM 0 H GLY C 79 7.564 -3.541 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.160 -4.076 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.555 -5.758 -10.798 1.00 0.00 H new ATOM 1894 N LYS C 80 4.953 -4.848 -9.170 1.00 0.00 N ATOM 1895 CA LYS C 80 3.536 -5.114 -8.933 1.00 0.00 C ATOM 1896 C LYS C 80 2.820 -3.818 -8.572 1.00 0.00 C ATOM 1897 O LYS C 80 3.387 -2.995 -7.855 1.00 0.00 O ATOM 1898 CB LYS C 80 3.401 -6.119 -7.790 1.00 0.00 C ATOM 1899 CG LYS C 80 4.186 -7.403 -8.014 1.00 0.00 C ATOM 1900 CD LYS C 80 4.278 -8.229 -6.742 1.00 0.00 C ATOM 1901 CE LYS C 80 4.995 -9.549 -6.981 1.00 0.00 C ATOM 1902 NZ LYS C 80 4.219 -10.441 -7.881 1.00 0.00 N ATOM 0 H LYS C 80 5.419 -4.354 -8.409 1.00 0.00 H new ATOM 0 HA LYS C 80 3.084 -5.525 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.739 -5.652 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.348 -6.365 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS C 80 3.708 -7.991 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS C 80 5.189 -7.161 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS C 80 4.806 -7.661 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.276 -8.423 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS C 80 5.976 -9.357 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS C 80 5.162 -10.050 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 4.608 -11.404 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 3.223 -10.455 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 4.282 -10.089 -8.858 1.00 0.00 H new ATOM 1916 N VAL C 81 1.590 -3.615 -9.073 1.00 0.00 N ATOM 1917 CA VAL C 81 0.839 -2.428 -8.684 1.00 0.00 C ATOM 1918 C VAL C 81 0.285 -2.580 -7.290 1.00 0.00 C ATOM 1919 O VAL C 81 -0.266 -3.615 -6.920 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.332 -2.009 -9.600 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.070 -1.679 -11.016 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.405 -3.026 -9.606 1.00 0.00 C ATOM 0 H VAL C 81 1.114 -4.238 -9.725 1.00 0.00 H new ATOM 0 HA VAL C 81 1.587 -1.639 -8.763 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.706 -1.083 -9.163 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.813 -1.395 -11.588 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.779 -0.851 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.535 -2.552 -11.475 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.213 -2.699 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.006 -3.974 -9.968 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.788 -3.156 -8.594 1.00 0.00 H new ATOM 1932 N ILE C 82 0.457 -1.542 -6.522 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.141 -1.457 -5.228 1.00 0.00 C ATOM 1934 C ILE C 82 -1.507 -0.815 -5.358 1.00 0.00 C ATOM 1935 O ILE C 82 -1.869 -0.358 -6.427 1.00 0.00 O ATOM 1936 CB ILE C 82 0.762 -0.658 -4.276 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.102 -1.309 -4.192 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.166 -0.511 -2.886 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.045 -0.588 -3.277 1.00 0.00 C ATOM 0 H ILE C 82 1.018 -0.730 -6.780 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.259 -2.456 -4.808 1.00 0.00 H new ATOM 0 HB ILE C 82 0.858 0.347 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.981 -2.335 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.539 -1.359 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.847 0.062 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.790 0.009 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.013 -1.498 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.002 -1.109 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.193 0.430 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.626 -0.561 -2.271 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.289 -0.837 -4.313 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.529 -0.107 -4.305 1.00 0.00 C ATOM 1953 C HIS C 83 -3.445 0.966 -3.239 1.00 0.00 C ATOM 1954 O HIS C 83 -3.393 0.666 -2.049 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.698 -1.058 -4.027 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.889 -2.100 -5.090 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.560 -3.426 -4.905 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.377 -2.010 -6.351 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.831 -4.104 -6.004 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.330 -3.270 -6.897 1.00 0.00 N ATOM 0 H HIS C 83 -2.090 -1.352 -3.456 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.700 0.357 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.533 -1.553 -3.070 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.615 -0.476 -3.931 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.736 -1.115 -6.836 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.671 -5.162 -6.148 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.632 -3.520 -7.839 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.423 2.208 -3.664 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.275 3.304 -2.767 1.00 0.00 C ATOM 1971 C LEU C 84 -4.626 3.904 -2.444 1.00 0.00 C ATOM 1972 O LEU C 84 -5.422 4.196 -3.333 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.377 4.321 -3.396 1.00 0.00 C ATOM 1974 CG LEU C 84 -2.456 5.675 -2.769 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -2.132 5.613 -1.292 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.516 6.599 -3.467 1.00 0.00 C ATOM 0 H LEU C 84 -3.508 2.475 -4.645 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.832 2.961 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -1.348 3.966 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -2.627 4.407 -4.453 1.00 0.00 H new ATOM 0 HG LEU C 84 -3.476 6.047 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -2.198 6.613 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -2.843 4.956 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.122 5.226 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -1.572 7.588 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -0.499 6.217 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.789 6.669 -4.520 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.869 4.086 -1.169 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.144 4.581 -0.702 1.00 0.00 C ATOM 1990 C VAL C 85 -5.956 5.724 0.288 1.00 0.00 C ATOM 1991 O VAL C 85 -4.935 5.804 0.979 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.953 3.456 -0.032 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.193 2.314 -1.010 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.240 2.958 1.216 1.00 0.00 C ATOM 0 H VAL C 85 -4.194 3.897 -0.428 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.691 4.949 -1.570 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.922 3.857 0.266 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.766 1.528 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.749 2.684 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.236 1.911 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -6.826 2.163 1.677 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.257 2.573 0.944 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.125 3.780 1.922 1.00 0.00 H new ATOM 2004 N GLU C 86 -6.939 6.608 0.339 1.00 0.00 N ATOM 2005 CA GLU C 86 -6.954 7.685 1.294 1.00 0.00 C ATOM 2006 C GLU C 86 -7.614 7.234 2.589 1.00 0.00 C ATOM 2007 O GLU C 86 -8.560 6.445 2.575 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.708 8.876 0.713 1.00 0.00 C ATOM 2009 CG GLU C 86 -8.915 8.497 -0.126 1.00 0.00 C ATOM 2010 CD GLU C 86 -9.716 9.706 -0.565 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -9.337 10.349 -1.567 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -10.734 10.019 0.091 1.00 0.00 O ATOM 0 H GLU C 86 -7.746 6.592 -0.284 1.00 0.00 H new ATOM 0 HA GLU C 86 -5.927 7.980 1.511 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -8.035 9.519 1.530 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -7.023 9.462 0.100 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -8.584 7.945 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -9.557 7.828 0.447 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.096 7.726 3.701 1.00 0.00 N ATOM 2020 CA ARG C 87 -7.640 7.418 5.002 1.00 0.00 C ATOM 2021 C ARG C 87 -8.849 8.293 5.269 1.00 0.00 C ATOM 2022 O ARG C 87 -9.092 9.276 4.558 1.00 0.00 O ATOM 2023 CB ARG C 87 -6.578 7.640 6.079 1.00 0.00 C ATOM 2024 CG ARG C 87 -5.234 7.057 5.696 1.00 0.00 C ATOM 2025 CD ARG C 87 -4.184 7.234 6.778 1.00 0.00 C ATOM 2026 NE ARG C 87 -2.855 6.861 6.287 1.00 0.00 N ATOM 2027 CZ ARG C 87 -1.863 6.409 7.052 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -2.039 6.257 8.358 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -0.695 6.100 6.502 1.00 0.00 N ATOM 0 H ARG C 87 -6.288 8.348 3.722 1.00 0.00 H new ATOM 0 HA ARG C 87 -7.946 6.372 5.025 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -6.468 8.709 6.262 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -6.913 7.190 7.013 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -5.352 5.995 5.481 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -4.886 7.531 4.778 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -4.174 8.271 7.113 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -4.441 6.622 7.643 1.00 0.00 H new ATOM 0 HE ARG C 87 -2.677 6.954 5.287 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -2.938 6.487 8.782 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -1.275 5.910 8.939 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -0.560 6.209 5.497 1.00 0.00 H new ATOM 0 HH22 ARG C 87 0.067 5.754 7.085 1.00 0.00 H new ATOM 2043 N ALA C 88 -9.601 7.925 6.280 1.00 0.00 N ATOM 2044 CA ALA C 88 -10.781 8.670 6.672 1.00 0.00 C ATOM 2045 C ALA C 88 -10.408 10.073 7.140 1.00 0.00 C ATOM 2046 O ALA C 88 -9.353 10.273 7.750 1.00 0.00 O ATOM 2047 CB ALA C 88 -11.535 7.929 7.760 1.00 0.00 C ATOM 0 H ALA C 88 -9.415 7.103 6.855 1.00 0.00 H new ATOM 0 HA ALA C 88 -11.430 8.765 5.801 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -12.419 8.500 8.044 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -11.840 6.950 7.390 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -10.889 7.803 8.629 1.00 0.00 H new ATOM 2053 N PRO C 89 -11.265 11.063 6.844 1.00 0.00 N ATOM 2054 CA PRO C 89 -11.035 12.461 7.222 1.00 0.00 C ATOM 2055 C PRO C 89 -11.013 12.657 8.737 1.00 0.00 C ATOM 2056 O PRO C 89 -11.596 11.865 9.480 1.00 0.00 O ATOM 2057 CB PRO C 89 -12.227 13.202 6.612 1.00 0.00 C ATOM 2058 CG PRO C 89 -12.743 12.285 5.567 1.00 0.00 C ATOM 2059 CD PRO C 89 -12.527 10.908 6.108 1.00 0.00 C ATOM 0 HA PRO C 89 -10.068 12.819 6.870 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -12.988 13.415 7.363 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -11.923 14.158 6.186 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -13.799 12.469 5.369 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -12.213 12.425 4.625 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -13.343 10.593 6.759 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -12.448 10.166 5.314 1.00 0.00 H new ATOM 2067 N PRO C 90 -10.342 13.719 9.214 1.00 0.00 N ATOM 2068 CA PRO C 90 -10.253 14.029 10.648 1.00 0.00 C ATOM 2069 C PRO C 90 -11.558 14.598 11.225 1.00 0.00 C ATOM 2070 O PRO C 90 -11.558 15.627 11.896 1.00 0.00 O ATOM 2071 CB PRO C 90 -9.138 15.075 10.706 1.00 0.00 C ATOM 2072 CG PRO C 90 -9.178 15.743 9.376 1.00 0.00 C ATOM 2073 CD PRO C 90 -9.592 14.686 8.391 1.00 0.00 C ATOM 0 HA PRO C 90 -10.061 13.136 11.243 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -9.306 15.788 11.513 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -8.169 14.611 10.887 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -9.885 16.573 9.378 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -8.203 16.156 9.118 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -10.211 15.100 7.595 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -8.729 14.222 7.914 1.00 0.00 H new ATOM 2081 N GLN C 91 -12.659 13.911 10.954 1.00 0.00 N ATOM 2082 CA GLN C 91 -13.979 14.285 11.457 1.00 0.00 C ATOM 2083 C GLN C 91 -14.309 13.400 12.656 1.00 0.00 C ATOM 2084 O GLN C 91 -14.703 13.879 13.719 1.00 0.00 O ATOM 2085 CB GLN C 91 -14.994 14.109 10.333 1.00 0.00 C ATOM 2086 CG GLN C 91 -16.439 14.522 10.626 1.00 0.00 C ATOM 2087 CD GLN C 91 -16.629 15.948 10.961 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -15.930 16.848 10.495 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -17.599 16.138 11.817 1.00 0.00 N ATOM 0 H GLN C 91 -12.664 13.072 10.375 1.00 0.00 H new ATOM 0 HA GLN C 91 -14.002 15.326 11.781 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -14.647 14.680 9.472 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -14.995 13.059 10.040 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -17.051 14.285 9.756 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -16.812 13.918 11.453 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -18.138 15.344 12.162 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -17.817 17.081 12.140 1.00 0.00 H new ATOM 2098 N THR C 92 -14.132 12.103 12.464 1.00 0.00 N ATOM 2099 CA THR C 92 -14.194 11.140 13.553 1.00 0.00 C ATOM 2100 C THR C 92 -12.948 10.254 13.504 1.00 0.00 C ATOM 2101 O THR C 92 -12.391 10.038 12.425 1.00 0.00 O ATOM 2102 CB THR C 92 -15.477 10.279 13.478 1.00 0.00 C ATOM 2103 OG1 THR C 92 -15.538 9.375 14.588 1.00 0.00 O ATOM 2104 CG2 THR C 92 -15.541 9.494 12.176 1.00 0.00 C ATOM 0 H THR C 92 -13.942 11.688 11.552 1.00 0.00 H new ATOM 0 HA THR C 92 -14.226 11.681 14.499 1.00 0.00 H new ATOM 0 HB THR C 92 -16.331 10.956 13.515 1.00 0.00 H new ATOM 0 HG1 THR C 92 -16.356 8.838 14.528 1.00 0.00 H new ATOM 0 HG21 THR C 92 -16.454 8.899 12.154 1.00 0.00 H new ATOM 0 HG22 THR C 92 -15.538 10.186 11.334 1.00 0.00 H new ATOM 0 HG23 THR C 92 -14.676 8.834 12.106 1.00 0.00 H new ATOM 2112 N HIS C 93 -12.509 9.768 14.669 1.00 0.00 N ATOM 2113 CA HIS C 93 -11.267 8.995 14.774 1.00 0.00 C ATOM 2114 C HIS C 93 -10.091 9.854 14.307 1.00 0.00 C ATOM 2115 O HIS C 93 -9.331 9.478 13.416 1.00 0.00 O ATOM 2116 CB HIS C 93 -11.366 7.693 13.970 1.00 0.00 C ATOM 2117 CG HIS C 93 -10.213 6.743 14.156 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -10.154 5.818 15.176 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -9.079 6.570 13.435 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -9.036 5.120 15.073 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -8.367 5.556 14.025 1.00 0.00 N ATOM 0 H HIS C 93 -12.997 9.897 15.555 1.00 0.00 H new ATOM 0 HA HIS C 93 -11.102 8.718 15.815 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -12.288 7.181 14.247 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -11.446 7.942 12.912 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -8.789 7.128 12.557 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -8.724 4.327 15.736 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -7.467 5.198 13.705 1.00 0.00 H new ATOM 2130 N LEU C 94 -9.953 11.021 14.915 1.00 0.00 N ATOM 2131 CA LEU C 94 -8.941 11.976 14.500 1.00 0.00 C ATOM 2132 C LEU C 94 -7.828 12.087 15.537 1.00 0.00 C ATOM 2133 O LEU C 94 -8.062 12.499 16.674 1.00 0.00 O ATOM 2134 CB LEU C 94 -9.560 13.359 14.235 1.00 0.00 C ATOM 2135 CG LEU C 94 -10.290 14.020 15.415 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -10.315 15.528 15.238 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -11.715 13.497 15.543 1.00 0.00 C ATOM 0 H LEU C 94 -10.530 11.329 15.698 1.00 0.00 H new ATOM 0 HA LEU C 94 -8.508 11.608 13.570 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -8.767 14.030 13.905 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -10.263 13.265 13.408 1.00 0.00 H new ATOM 0 HG LEU C 94 -9.747 13.770 16.326 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -10.835 15.985 16.080 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -9.294 15.906 15.194 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -10.835 15.777 14.313 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -12.206 13.983 16.386 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -12.266 13.714 14.628 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -11.694 12.420 15.707 1.00 0.00 H new ATOM 2149 N PRO C 95 -6.601 11.693 15.165 1.00 0.00 N ATOM 2150 CA PRO C 95 -5.435 11.828 16.037 1.00 0.00 C ATOM 2151 C PRO C 95 -4.985 13.282 16.155 1.00 0.00 C ATOM 2152 O PRO C 95 -4.427 13.692 17.172 1.00 0.00 O ATOM 2153 CB PRO C 95 -4.366 10.984 15.340 1.00 0.00 C ATOM 2154 CG PRO C 95 -4.761 10.967 13.902 1.00 0.00 C ATOM 2155 CD PRO C 95 -6.263 11.064 13.872 1.00 0.00 C ATOM 0 HA PRO C 95 -5.640 11.505 17.058 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -3.374 11.417 15.471 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -4.330 9.975 15.751 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -4.307 11.800 13.365 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -4.421 10.052 13.417 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -6.608 11.666 13.032 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -6.725 10.082 13.772 1.00 0.00 H new ATOM 2163 N SER C 96 -5.230 14.049 15.099 1.00 0.00 N ATOM 2164 CA SER C 96 -4.940 15.466 15.094 1.00 0.00 C ATOM 2165 C SER C 96 -5.863 16.187 16.072 1.00 0.00 C ATOM 2166 O SER C 96 -7.084 16.177 15.910 1.00 0.00 O ATOM 2167 CB SER C 96 -5.106 16.036 13.680 1.00 0.00 C ATOM 2168 OG SER C 96 -4.685 17.390 13.610 1.00 0.00 O ATOM 0 H SER C 96 -5.634 13.702 14.229 1.00 0.00 H new ATOM 0 HA SER C 96 -3.907 15.619 15.408 1.00 0.00 H new ATOM 0 HB2 SER C 96 -4.528 15.438 12.976 1.00 0.00 H new ATOM 0 HB3 SER C 96 -6.151 15.963 13.378 1.00 0.00 H new ATOM 0 HG SER C 96 -4.802 17.722 12.696 1.00 0.00 H new ATOM 2174 N GLY C 97 -5.276 16.798 17.089 1.00 0.00 N ATOM 2175 CA GLY C 97 -6.066 17.458 18.105 1.00 0.00 C ATOM 2176 C GLY C 97 -6.605 16.471 19.117 1.00 0.00 C ATOM 2177 O GLY C 97 -6.053 16.337 20.208 1.00 0.00 O ATOM 0 H GLY C 97 -4.267 16.848 17.229 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -5.456 18.205 18.613 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -6.895 17.988 17.636 1.00 0.00 H new ATOM 2181 N ALA C 98 -7.672 15.770 18.729 1.00 0.00 N ATOM 2182 CA ALA C 98 -8.312 14.748 19.560 1.00 0.00 C ATOM 2183 C ALA C 98 -8.919 15.337 20.834 1.00 0.00 C ATOM 2184 O ALA C 98 -10.133 15.525 20.913 1.00 0.00 O ATOM 2185 CB ALA C 98 -7.336 13.625 19.893 1.00 0.00 C ATOM 0 H ALA C 98 -8.120 15.897 17.822 1.00 0.00 H new ATOM 0 HA ALA C 98 -9.132 14.330 18.976 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -7.836 12.879 20.511 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -6.989 13.159 18.971 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -6.483 14.033 20.436 1.00 0.00 H new ATOM 2191 N SER C 99 -8.065 15.646 21.810 1.00 0.00 N ATOM 2192 CA SER C 99 -8.497 16.136 23.114 1.00 0.00 C ATOM 2193 C SER C 99 -9.324 15.071 23.834 1.00 0.00 C ATOM 2194 O SER C 99 -10.544 14.989 23.675 1.00 0.00 O ATOM 2195 CB SER C 99 -9.286 17.438 22.973 1.00 0.00 C ATOM 2196 OG SER C 99 -9.466 18.071 24.226 1.00 0.00 O ATOM 0 H SER C 99 -7.053 15.563 21.716 1.00 0.00 H new ATOM 0 HA SER C 99 -7.612 16.347 23.714 1.00 0.00 H new ATOM 0 HB2 SER C 99 -8.761 18.112 22.295 1.00 0.00 H new ATOM 0 HB3 SER C 99 -10.258 17.230 22.526 1.00 0.00 H new ATOM 0 HG SER C 99 -9.972 18.901 24.103 1.00 0.00 H new ATOM 2202 N SER C 100 -8.647 14.251 24.621 1.00 0.00 N ATOM 2203 CA SER C 100 -9.282 13.140 25.309 1.00 0.00 C ATOM 2204 C SER C 100 -9.845 13.578 26.660 1.00 0.00 C ATOM 2205 O SER C 100 -9.411 13.101 27.710 1.00 0.00 O ATOM 2206 CB SER C 100 -8.266 12.015 25.506 1.00 0.00 C ATOM 2207 OG SER C 100 -7.569 11.744 24.300 1.00 0.00 O ATOM 0 H SER C 100 -7.646 14.336 24.800 1.00 0.00 H new ATOM 0 HA SER C 100 -10.111 12.783 24.698 1.00 0.00 H new ATOM 0 HB2 SER C 100 -7.557 12.293 26.286 1.00 0.00 H new ATOM 0 HB3 SER C 100 -8.777 11.114 25.846 1.00 0.00 H new ATOM 0 HG SER C 100 -6.923 11.022 24.450 1.00 0.00 H new ATOM 2213 N GLY C 101 -10.794 14.499 26.633 1.00 0.00 N ATOM 2214 CA GLY C 101 -11.424 14.941 27.858 1.00 0.00 C ATOM 2215 C GLY C 101 -12.046 16.308 27.715 1.00 0.00 C ATOM 2216 O GLY C 101 -13.061 16.579 28.390 1.00 0.00 O ATOM 2217 OXT GLY C 101 -11.526 17.117 26.919 1.00 0.00 O ATOM 0 H GLY C 101 -11.139 14.949 25.785 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -12.190 14.223 28.150 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -10.685 14.962 28.659 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.309 -2.061 -3.134 1.00 0.00 ZN