USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 615 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= -0.88 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0316 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.477! USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 11:sc= 0.237! USER MOD Single : A 15 MET CE :methyl 150:sc= -0.357 (180deg=-1.41!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0.295 (180deg=0.179) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00135 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0174 (180deg=-0.231) USER MOD Single : A 38 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.93) USER MOD Single : A 47 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 49 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.55) USER MOD Single : A 50 TYR OH : rot -154:sc= 0.088 USER MOD Single : A 52 SER OG : rot 87:sc= 0.0221 USER MOD Single : A 53 ASN : amide:sc= -0.0735 X(o=-0.073,f=0) USER MOD Single : A 55 ASN : amide:sc= -3.47! C(o=-3.5!,f=-6.6!) USER MOD Single : A 56 THR OG1 : rot -54:sc= 0.672 USER MOD Single : A 59 LYS NZ :NH3+ 137:sc= 0.454 (180deg=-0.293) USER MOD Single : A 61 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.5 USER MOD Single : A 73 ASN : amide:sc= -0.0372 X(o=-0.037,f=0.16) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.151 K(o=-0.15,f=-4.9!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -1.4! C(o=-1.4!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.580 1.948 9.132 1.00 0.00 N ATOM 2 CA GLY A 1 34.402 0.791 8.275 1.00 0.00 C ATOM 3 C GLY A 1 33.307 0.994 7.246 1.00 0.00 C ATOM 4 O GLY A 1 33.049 2.119 6.819 1.00 0.00 O ATOM 0 H1 GLY A 1 35.595 2.153 9.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.101 2.769 8.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.172 1.752 10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.340 0.573 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.163 -0.078 8.888 1.00 0.00 H new ATOM 8 N SER A 2 32.663 -0.098 6.847 1.00 0.00 N ATOM 9 CA SER A 2 31.593 -0.035 5.857 1.00 0.00 C ATOM 10 C SER A 2 30.910 -1.391 5.708 1.00 0.00 C ATOM 11 O SER A 2 31.530 -2.436 5.909 1.00 0.00 O ATOM 12 CB SER A 2 32.146 0.422 4.506 1.00 0.00 C ATOM 13 OG SER A 2 31.098 0.734 3.605 1.00 0.00 O ATOM 0 H SER A 2 32.863 -1.036 7.193 1.00 0.00 H new ATOM 0 HA SER A 2 30.854 0.688 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.781 1.297 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.773 -0.362 4.082 1.00 0.00 H new ATOM 0 HG SER A 2 31.478 1.025 2.750 1.00 0.00 H new ATOM 19 N SER A 3 29.629 -1.366 5.355 1.00 0.00 N ATOM 20 CA SER A 3 28.860 -2.592 5.182 1.00 0.00 C ATOM 21 C SER A 3 27.554 -2.315 4.444 1.00 0.00 C ATOM 22 O SER A 3 27.062 -1.187 4.432 1.00 0.00 O ATOM 23 CB SER A 3 28.565 -3.230 6.541 1.00 0.00 C ATOM 24 OG SER A 3 27.535 -2.533 7.219 1.00 0.00 O ATOM 0 H SER A 3 29.102 -0.510 5.183 1.00 0.00 H new ATOM 0 HA SER A 3 29.455 -3.283 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.273 -4.271 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.469 -3.231 7.150 1.00 0.00 H new ATOM 0 HG SER A 3 27.364 -2.961 8.084 1.00 0.00 H new ATOM 30 N GLY A 4 26.997 -3.354 3.829 1.00 0.00 N ATOM 31 CA GLY A 4 25.753 -3.203 3.096 1.00 0.00 C ATOM 32 C GLY A 4 25.084 -4.532 2.810 1.00 0.00 C ATOM 33 O GLY A 4 25.701 -5.588 2.947 1.00 0.00 O ATOM 0 H GLY A 4 27.385 -4.297 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.072 -2.573 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.949 -2.689 2.155 1.00 0.00 H new ATOM 37 N SER A 5 23.816 -4.481 2.414 1.00 0.00 N ATOM 38 CA SER A 5 23.060 -5.691 2.113 1.00 0.00 C ATOM 39 C SER A 5 22.233 -5.514 0.843 1.00 0.00 C ATOM 40 O SER A 5 21.235 -4.793 0.835 1.00 0.00 O ATOM 41 CB SER A 5 22.145 -6.051 3.285 1.00 0.00 C ATOM 42 OG SER A 5 21.746 -7.409 3.223 1.00 0.00 O ATOM 0 H SER A 5 23.291 -3.615 2.294 1.00 0.00 H new ATOM 0 HA SER A 5 23.770 -6.502 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.663 -5.864 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.264 -5.409 3.273 1.00 0.00 H new ATOM 0 HG SER A 5 21.163 -7.614 3.984 1.00 0.00 H new ATOM 48 N SER A 6 22.656 -6.176 -0.228 1.00 0.00 N ATOM 49 CA SER A 6 21.958 -6.089 -1.506 1.00 0.00 C ATOM 50 C SER A 6 22.577 -7.037 -2.529 1.00 0.00 C ATOM 51 O SER A 6 23.774 -6.975 -2.804 1.00 0.00 O ATOM 52 CB SER A 6 21.995 -4.654 -2.035 1.00 0.00 C ATOM 53 OG SER A 6 23.289 -4.318 -2.505 1.00 0.00 O ATOM 0 H SER A 6 23.479 -6.779 -0.237 1.00 0.00 H new ATOM 0 HA SER A 6 20.921 -6.383 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.271 -4.542 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.701 -3.964 -1.244 1.00 0.00 H new ATOM 0 HG SER A 6 23.813 -5.136 -2.633 1.00 0.00 H new ATOM 59 N GLY A 7 21.750 -7.915 -3.089 1.00 0.00 N ATOM 60 CA GLY A 7 22.233 -8.864 -4.075 1.00 0.00 C ATOM 61 C GLY A 7 21.238 -9.976 -4.345 1.00 0.00 C ATOM 62 O GLY A 7 20.857 -10.712 -3.435 1.00 0.00 O ATOM 0 H GLY A 7 20.755 -7.986 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.448 -8.339 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.172 -9.297 -3.729 1.00 0.00 H new ATOM 66 N MET A 8 20.815 -10.097 -5.599 1.00 0.00 N ATOM 67 CA MET A 8 19.858 -11.127 -5.986 1.00 0.00 C ATOM 68 C MET A 8 20.120 -11.605 -7.411 1.00 0.00 C ATOM 69 O MET A 8 20.156 -10.806 -8.346 1.00 0.00 O ATOM 70 CB MET A 8 18.429 -10.596 -5.868 1.00 0.00 C ATOM 71 CG MET A 8 18.011 -10.288 -4.439 1.00 0.00 C ATOM 72 SD MET A 8 17.596 -11.772 -3.503 1.00 0.00 S ATOM 73 CE MET A 8 16.543 -11.084 -2.227 1.00 0.00 C ATOM 0 H MET A 8 21.120 -9.495 -6.364 1.00 0.00 H new ATOM 0 HA MET A 8 19.980 -11.973 -5.310 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.336 -9.691 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.742 -11.330 -6.289 1.00 0.00 H new ATOM 0 HG2 MET A 8 18.819 -9.759 -3.934 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.151 -9.619 -4.452 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.205 -11.881 -1.565 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.103 -10.348 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.680 -10.604 -2.688 1.00 0.00 H new ATOM 83 N ALA A 9 20.302 -12.912 -7.568 1.00 0.00 N ATOM 84 CA ALA A 9 20.559 -13.495 -8.880 1.00 0.00 C ATOM 85 C ALA A 9 20.334 -15.003 -8.863 1.00 0.00 C ATOM 86 O ALA A 9 20.953 -15.724 -8.081 1.00 0.00 O ATOM 87 CB ALA A 9 21.976 -13.176 -9.331 1.00 0.00 C ATOM 0 H ALA A 9 20.276 -13.587 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 9 19.857 -13.057 -9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 9 22.154 -13.617 -10.312 1.00 0.00 H new ATOM 0 HB2 ALA A 9 22.104 -12.095 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.687 -13.586 -8.614 1.00 0.00 H new ATOM 93 N SER A 10 19.443 -15.473 -9.731 1.00 0.00 N ATOM 94 CA SER A 10 19.133 -16.896 -9.812 1.00 0.00 C ATOM 95 C SER A 10 18.354 -17.210 -11.086 1.00 0.00 C ATOM 96 O SER A 10 17.743 -16.326 -11.687 1.00 0.00 O ATOM 97 CB SER A 10 18.328 -17.335 -8.588 1.00 0.00 C ATOM 98 OG SER A 10 17.161 -16.546 -8.434 1.00 0.00 O ATOM 0 H SER A 10 18.924 -14.890 -10.387 1.00 0.00 H new ATOM 0 HA SER A 10 20.073 -17.447 -9.836 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.050 -18.384 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 10 18.946 -17.253 -7.694 1.00 0.00 H new ATOM 0 HG SER A 10 16.664 -16.848 -7.646 1.00 0.00 H new ATOM 104 N SER A 11 18.382 -18.475 -11.493 1.00 0.00 N ATOM 105 CA SER A 11 17.683 -18.907 -12.697 1.00 0.00 C ATOM 106 C SER A 11 16.258 -18.361 -12.723 1.00 0.00 C ATOM 107 O SER A 11 15.502 -18.522 -11.766 1.00 0.00 O ATOM 108 CB SER A 11 17.658 -20.434 -12.778 1.00 0.00 C ATOM 109 OG SER A 11 16.666 -20.974 -11.921 1.00 0.00 O ATOM 0 H SER A 11 18.882 -19.219 -11.006 1.00 0.00 H new ATOM 0 HA SER A 11 18.220 -18.514 -13.560 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.464 -20.744 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.635 -20.832 -12.504 1.00 0.00 H new ATOM 0 HG SER A 11 16.093 -20.252 -11.588 1.00 0.00 H new ATOM 115 N VAL A 12 15.900 -17.714 -13.827 1.00 0.00 N ATOM 116 CA VAL A 12 14.566 -17.144 -13.980 1.00 0.00 C ATOM 117 C VAL A 12 13.718 -17.978 -14.934 1.00 0.00 C ATOM 118 O VAL A 12 14.223 -18.521 -15.918 1.00 0.00 O ATOM 119 CB VAL A 12 14.630 -15.696 -14.501 1.00 0.00 C ATOM 120 CG1 VAL A 12 13.230 -15.143 -14.716 1.00 0.00 C ATOM 121 CG2 VAL A 12 15.418 -14.819 -13.539 1.00 0.00 C ATOM 0 H VAL A 12 16.514 -17.571 -14.629 1.00 0.00 H new ATOM 0 HA VAL A 12 14.106 -17.147 -12.992 1.00 0.00 H new ATOM 0 HB VAL A 12 15.145 -15.696 -15.462 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.296 -14.119 -15.084 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.704 -15.758 -15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.685 -15.155 -13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.454 -13.799 -13.922 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.933 -14.823 -12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.432 -15.206 -13.442 1.00 0.00 H new ATOM 131 N LEU A 13 12.427 -18.076 -14.638 1.00 0.00 N ATOM 132 CA LEU A 13 11.507 -18.845 -15.470 1.00 0.00 C ATOM 133 C LEU A 13 10.113 -18.228 -15.452 1.00 0.00 C ATOM 134 O LEU A 13 9.753 -17.511 -14.518 1.00 0.00 O ATOM 135 CB LEU A 13 11.442 -20.295 -14.987 1.00 0.00 C ATOM 136 CG LEU A 13 12.685 -21.146 -15.249 1.00 0.00 C ATOM 137 CD1 LEU A 13 12.704 -22.360 -14.334 1.00 0.00 C ATOM 138 CD2 LEU A 13 12.740 -21.575 -16.708 1.00 0.00 C ATOM 0 H LEU A 13 11.993 -17.633 -13.828 1.00 0.00 H new ATOM 0 HA LEU A 13 11.880 -18.826 -16.494 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.248 -20.291 -13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.589 -20.778 -15.463 1.00 0.00 H new ATOM 0 HG LEU A 13 13.567 -20.542 -15.035 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.596 -22.953 -14.535 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.713 -22.032 -13.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.816 -22.966 -14.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.631 -22.180 -16.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.853 -22.161 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.775 -20.692 -17.346 1.00 0.00 H new ATOM 150 N GLU A 14 9.331 -18.513 -16.489 1.00 0.00 N ATOM 151 CA GLU A 14 7.975 -17.987 -16.591 1.00 0.00 C ATOM 152 C GLU A 14 7.022 -19.042 -17.145 1.00 0.00 C ATOM 153 O GLU A 14 7.143 -19.459 -18.296 1.00 0.00 O ATOM 154 CB GLU A 14 7.952 -16.744 -17.483 1.00 0.00 C ATOM 155 CG GLU A 14 8.564 -15.516 -16.832 1.00 0.00 C ATOM 156 CD GLU A 14 10.060 -15.418 -17.059 1.00 0.00 C ATOM 157 OE1 GLU A 14 10.530 -15.874 -18.123 1.00 0.00 O ATOM 158 OE2 GLU A 14 10.761 -14.886 -16.174 1.00 0.00 O ATOM 0 H GLU A 14 9.614 -19.105 -17.270 1.00 0.00 H new ATOM 0 HA GLU A 14 7.643 -17.713 -15.590 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.488 -16.960 -18.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.920 -16.523 -17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.081 -14.622 -17.227 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.364 -15.540 -15.761 1.00 0.00 H new ATOM 165 N MET A 15 6.076 -19.470 -16.316 1.00 0.00 N ATOM 166 CA MET A 15 5.102 -20.476 -16.723 1.00 0.00 C ATOM 167 C MET A 15 4.087 -19.887 -17.698 1.00 0.00 C ATOM 168 O MET A 15 4.209 -18.735 -18.114 1.00 0.00 O ATOM 169 CB MET A 15 4.380 -21.043 -15.498 1.00 0.00 C ATOM 170 CG MET A 15 3.658 -19.987 -14.676 1.00 0.00 C ATOM 171 SD MET A 15 1.958 -19.729 -15.216 1.00 0.00 S ATOM 172 CE MET A 15 1.262 -21.355 -14.934 1.00 0.00 C ATOM 0 H MET A 15 5.963 -19.136 -15.359 1.00 0.00 H new ATOM 0 HA MET A 15 5.637 -21.281 -17.226 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.659 -21.792 -15.826 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.104 -21.553 -14.863 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.661 -20.284 -13.627 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.203 -19.045 -14.742 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.202 -21.261 -14.698 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.382 -21.963 -15.831 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.778 -21.832 -14.101 1.00 0.00 H new ATOM 182 N ILE A 16 3.088 -20.685 -18.059 1.00 0.00 N ATOM 183 CA ILE A 16 2.053 -20.242 -18.985 1.00 0.00 C ATOM 184 C ILE A 16 1.310 -19.028 -18.438 1.00 0.00 C ATOM 185 O ILE A 16 0.419 -19.157 -17.598 1.00 0.00 O ATOM 186 CB ILE A 16 1.038 -21.364 -19.273 1.00 0.00 C ATOM 187 CG1 ILE A 16 1.746 -22.582 -19.869 1.00 0.00 C ATOM 188 CG2 ILE A 16 -0.050 -20.865 -20.212 1.00 0.00 C ATOM 189 CD1 ILE A 16 2.384 -22.311 -21.214 1.00 0.00 C ATOM 0 H ILE A 16 2.973 -21.642 -17.724 1.00 0.00 H new ATOM 0 HA ILE A 16 2.555 -19.970 -19.914 1.00 0.00 H new ATOM 0 HB ILE A 16 0.572 -21.662 -18.334 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.513 -22.923 -19.174 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.027 -23.395 -19.974 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.760 -21.669 -20.406 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.570 -20.025 -19.752 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.400 -20.543 -21.151 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.868 -23.218 -21.577 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.618 -21.999 -21.924 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.127 -21.520 -21.112 1.00 0.00 H new ATOM 201 N LYS A 17 1.682 -17.847 -18.922 1.00 0.00 N ATOM 202 CA LYS A 17 1.050 -16.608 -18.485 1.00 0.00 C ATOM 203 C LYS A 17 0.044 -16.116 -19.521 1.00 0.00 C ATOM 204 O LYS A 17 0.404 -15.834 -20.663 1.00 0.00 O ATOM 205 CB LYS A 17 2.109 -15.532 -18.236 1.00 0.00 C ATOM 206 CG LYS A 17 3.044 -15.854 -17.083 1.00 0.00 C ATOM 207 CD LYS A 17 2.308 -15.862 -15.753 1.00 0.00 C ATOM 208 CE LYS A 17 3.216 -16.306 -14.617 1.00 0.00 C ATOM 209 NZ LYS A 17 2.439 -16.805 -13.448 1.00 0.00 N ATOM 0 H LYS A 17 2.418 -17.722 -19.617 1.00 0.00 H new ATOM 0 HA LYS A 17 0.519 -16.808 -17.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.698 -15.397 -19.143 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.611 -14.584 -18.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.507 -16.827 -17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.849 -15.120 -17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.922 -14.864 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.449 -16.529 -15.815 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.883 -17.092 -14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.844 -15.471 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.046 -16.809 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.622 -16.183 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.106 -17.771 -13.639 1.00 0.00 H new ATOM 223 N GLU A 18 -1.217 -16.014 -19.113 1.00 0.00 N ATOM 224 CA GLU A 18 -2.274 -15.555 -20.007 1.00 0.00 C ATOM 225 C GLU A 18 -2.889 -14.254 -19.499 1.00 0.00 C ATOM 226 O GLU A 18 -3.963 -14.257 -18.899 1.00 0.00 O ATOM 227 CB GLU A 18 -3.358 -16.625 -20.143 1.00 0.00 C ATOM 228 CG GLU A 18 -3.044 -17.680 -21.191 1.00 0.00 C ATOM 229 CD GLU A 18 -3.835 -18.957 -20.988 1.00 0.00 C ATOM 230 OE1 GLU A 18 -3.505 -19.719 -20.056 1.00 0.00 O ATOM 231 OE2 GLU A 18 -4.786 -19.195 -21.763 1.00 0.00 O ATOM 0 H GLU A 18 -1.531 -16.243 -18.170 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.832 -15.370 -20.986 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.498 -17.113 -19.179 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.302 -16.143 -20.396 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.258 -17.278 -22.181 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.979 -17.909 -21.163 1.00 0.00 H new ATOM 238 N GLU A 19 -2.200 -13.144 -19.745 1.00 0.00 N ATOM 239 CA GLU A 19 -2.678 -11.836 -19.312 1.00 0.00 C ATOM 240 C GLU A 19 -2.746 -11.760 -17.789 1.00 0.00 C ATOM 241 O GLU A 19 -3.634 -11.118 -17.228 1.00 0.00 O ATOM 242 CB GLU A 19 -4.056 -11.548 -19.910 1.00 0.00 C ATOM 243 CG GLU A 19 -4.000 -10.839 -21.253 1.00 0.00 C ATOM 244 CD GLU A 19 -3.774 -9.346 -21.115 1.00 0.00 C ATOM 245 OE1 GLU A 19 -2.677 -8.952 -20.665 1.00 0.00 O ATOM 246 OE2 GLU A 19 -4.692 -8.572 -21.457 1.00 0.00 O ATOM 0 H GLU A 19 -1.309 -13.124 -20.242 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.973 -11.084 -19.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.596 -12.488 -20.027 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.626 -10.938 -19.210 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.199 -11.270 -21.854 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.932 -11.014 -21.791 1.00 0.00 H new ATOM 253 N VAL A 20 -1.802 -12.419 -17.126 1.00 0.00 N ATOM 254 CA VAL A 20 -1.753 -12.426 -15.669 1.00 0.00 C ATOM 255 C VAL A 20 -0.391 -11.966 -15.162 1.00 0.00 C ATOM 256 O VAL A 20 0.027 -12.322 -14.060 1.00 0.00 O ATOM 257 CB VAL A 20 -2.052 -13.827 -15.104 1.00 0.00 C ATOM 258 CG1 VAL A 20 -3.514 -14.189 -15.319 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.139 -14.864 -15.740 1.00 0.00 C ATOM 0 H VAL A 20 -1.060 -12.956 -17.575 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.519 -11.732 -15.324 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.859 -13.815 -14.031 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.706 -15.182 -14.913 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.147 -13.461 -14.812 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.737 -14.183 -16.386 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.364 -15.848 -15.329 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.298 -14.876 -16.818 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.100 -14.612 -15.529 1.00 0.00 H new ATOM 269 N THR A 21 0.298 -11.170 -15.973 1.00 0.00 N ATOM 270 CA THR A 21 1.614 -10.660 -15.608 1.00 0.00 C ATOM 271 C THR A 21 1.647 -9.137 -15.660 1.00 0.00 C ATOM 272 O THR A 21 0.866 -8.513 -16.378 1.00 0.00 O ATOM 273 CB THR A 21 2.710 -11.218 -16.535 1.00 0.00 C ATOM 274 OG1 THR A 21 2.561 -12.636 -16.672 1.00 0.00 O ATOM 275 CG2 THR A 21 4.094 -10.898 -15.991 1.00 0.00 C ATOM 0 H THR A 21 -0.034 -10.864 -16.888 1.00 0.00 H new ATOM 0 HA THR A 21 1.809 -10.990 -14.588 1.00 0.00 H new ATOM 0 HB THR A 21 2.603 -10.746 -17.512 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.261 -12.983 -17.264 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.851 -11.302 -16.663 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.215 -9.817 -15.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.209 -11.345 -15.004 1.00 0.00 H new ATOM 283 N CYS A 22 2.557 -8.544 -14.895 1.00 0.00 N ATOM 284 CA CYS A 22 2.694 -7.093 -14.853 1.00 0.00 C ATOM 285 C CYS A 22 2.980 -6.533 -16.244 1.00 0.00 C ATOM 286 O CYS A 22 3.982 -6.863 -16.879 1.00 0.00 O ATOM 287 CB CYS A 22 3.813 -6.692 -13.890 1.00 0.00 C ATOM 288 SG CYS A 22 3.690 -4.980 -13.279 1.00 0.00 S ATOM 0 H CYS A 22 3.211 -9.046 -14.295 1.00 0.00 H new ATOM 0 HA CYS A 22 1.752 -6.675 -14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.806 -7.372 -13.038 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.772 -6.820 -14.391 1.00 0.00 H new ATOM 293 N PRO A 23 2.080 -5.666 -16.730 1.00 0.00 N ATOM 294 CA PRO A 23 2.214 -5.042 -18.049 1.00 0.00 C ATOM 295 C PRO A 23 3.357 -4.034 -18.100 1.00 0.00 C ATOM 296 O PRO A 23 3.538 -3.337 -19.099 1.00 0.00 O ATOM 297 CB PRO A 23 0.870 -4.336 -18.246 1.00 0.00 C ATOM 298 CG PRO A 23 0.371 -4.079 -16.866 1.00 0.00 C ATOM 299 CD PRO A 23 0.862 -5.228 -16.028 1.00 0.00 C ATOM 0 HA PRO A 23 2.445 -5.773 -18.824 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.989 -3.407 -18.803 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.175 -4.959 -18.809 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.747 -3.129 -16.485 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.717 -4.020 -16.849 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.077 -4.917 -15.006 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.123 -6.027 -15.969 1.00 0.00 H new ATOM 307 N ILE A 24 4.126 -3.963 -17.019 1.00 0.00 N ATOM 308 CA ILE A 24 5.252 -3.041 -16.942 1.00 0.00 C ATOM 309 C ILE A 24 6.578 -3.795 -16.918 1.00 0.00 C ATOM 310 O ILE A 24 7.355 -3.736 -17.872 1.00 0.00 O ATOM 311 CB ILE A 24 5.162 -2.145 -15.693 1.00 0.00 C ATOM 312 CG1 ILE A 24 3.934 -1.236 -15.778 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.430 -1.318 -15.542 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.405 -0.807 -14.428 1.00 0.00 C ATOM 0 H ILE A 24 3.990 -4.533 -16.184 1.00 0.00 H new ATOM 0 HA ILE A 24 5.208 -2.414 -17.833 1.00 0.00 H new ATOM 0 HB ILE A 24 5.060 -2.781 -14.814 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.188 -0.349 -16.358 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.144 -1.756 -16.320 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.351 -0.690 -14.655 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.288 -1.983 -15.441 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.561 -0.688 -16.422 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.535 -0.165 -14.565 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.119 -1.688 -13.853 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.179 -0.259 -13.891 1.00 0.00 H new ATOM 326 N CYS A 25 6.830 -4.504 -15.823 1.00 0.00 N ATOM 327 CA CYS A 25 8.061 -5.271 -15.674 1.00 0.00 C ATOM 328 C CYS A 25 7.951 -6.618 -16.382 1.00 0.00 C ATOM 329 O CYS A 25 8.953 -7.187 -16.817 1.00 0.00 O ATOM 330 CB CYS A 25 8.378 -5.484 -14.193 1.00 0.00 C ATOM 331 SG CYS A 25 7.011 -6.221 -13.239 1.00 0.00 S ATOM 0 H CYS A 25 6.197 -4.563 -15.025 1.00 0.00 H new ATOM 0 HA CYS A 25 8.871 -4.704 -16.133 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.254 -6.127 -14.109 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.642 -4.525 -13.747 1.00 0.00 H new ATOM 336 N LEU A 26 6.727 -7.123 -16.493 1.00 0.00 N ATOM 337 CA LEU A 26 6.485 -8.404 -17.148 1.00 0.00 C ATOM 338 C LEU A 26 7.055 -9.554 -16.324 1.00 0.00 C ATOM 339 O LEU A 26 7.778 -10.403 -16.843 1.00 0.00 O ATOM 340 CB LEU A 26 7.103 -8.409 -18.547 1.00 0.00 C ATOM 341 CG LEU A 26 6.774 -7.205 -19.430 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.664 -7.189 -20.664 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.306 -7.222 -19.830 1.00 0.00 C ATOM 0 H LEU A 26 5.887 -6.665 -16.138 1.00 0.00 H new ATOM 0 HA LEU A 26 5.407 -8.542 -17.233 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.186 -8.473 -18.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.778 -9.312 -19.063 1.00 0.00 H new ATOM 0 HG LEU A 26 6.964 -6.297 -18.858 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.416 -6.325 -21.281 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.709 -7.128 -20.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.506 -8.102 -21.238 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.090 -6.358 -20.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.090 -8.136 -20.384 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.685 -7.185 -18.935 1.00 0.00 H new ATOM 355 N GLU A 27 6.722 -9.574 -15.037 1.00 0.00 N ATOM 356 CA GLU A 27 7.201 -10.621 -14.141 1.00 0.00 C ATOM 357 C GLU A 27 6.214 -10.855 -13.001 1.00 0.00 C ATOM 358 O GLU A 27 5.343 -10.024 -12.738 1.00 0.00 O ATOM 359 CB GLU A 27 8.573 -10.250 -13.575 1.00 0.00 C ATOM 360 CG GLU A 27 8.514 -9.210 -12.469 1.00 0.00 C ATOM 361 CD GLU A 27 9.621 -9.382 -11.447 1.00 0.00 C ATOM 362 OE1 GLU A 27 9.563 -10.355 -10.667 1.00 0.00 O ATOM 363 OE2 GLU A 27 10.546 -8.543 -11.428 1.00 0.00 O ATOM 0 H GLU A 27 6.123 -8.878 -14.592 1.00 0.00 H new ATOM 0 HA GLU A 27 7.290 -11.543 -14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.054 -11.150 -13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.200 -9.874 -14.383 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.581 -8.214 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.548 -9.273 -11.967 1.00 0.00 H new ATOM 370 N LEU A 28 6.356 -11.991 -12.327 1.00 0.00 N ATOM 371 CA LEU A 28 5.477 -12.336 -11.215 1.00 0.00 C ATOM 372 C LEU A 28 5.049 -11.086 -10.452 1.00 0.00 C ATOM 373 O LEU A 28 5.879 -10.384 -9.873 1.00 0.00 O ATOM 374 CB LEU A 28 6.180 -13.310 -10.268 1.00 0.00 C ATOM 375 CG LEU A 28 5.996 -14.796 -10.577 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.847 -15.644 -9.644 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.530 -15.187 -10.466 1.00 0.00 C ATOM 0 H LEU A 28 7.071 -12.689 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 28 4.586 -12.814 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.247 -13.087 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.823 -13.123 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 28 6.323 -14.977 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.703 -16.699 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.898 -15.384 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.551 -15.458 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.419 -16.248 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.177 -14.990 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.943 -14.603 -11.175 1.00 0.00 H new ATOM 389 N LEU A 29 3.748 -10.816 -10.453 1.00 0.00 N ATOM 390 CA LEU A 29 3.209 -9.652 -9.759 1.00 0.00 C ATOM 391 C LEU A 29 3.482 -9.737 -8.260 1.00 0.00 C ATOM 392 O LEU A 29 2.921 -10.582 -7.562 1.00 0.00 O ATOM 393 CB LEU A 29 1.704 -9.537 -10.008 1.00 0.00 C ATOM 394 CG LEU A 29 1.289 -9.086 -11.409 1.00 0.00 C ATOM 395 CD1 LEU A 29 -0.053 -9.692 -11.789 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.230 -7.567 -11.485 1.00 0.00 C ATOM 0 H LEU A 29 3.048 -11.387 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 29 3.705 -8.764 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.248 -10.507 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.289 -8.836 -9.284 1.00 0.00 H new ATOM 0 HG LEU A 29 2.038 -9.437 -12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.332 -9.360 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.022 -10.779 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.812 -9.372 -11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.933 -7.264 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.503 -7.195 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.212 -7.153 -11.257 1.00 0.00 H new ATOM 408 N LYS A 30 4.346 -8.854 -7.771 1.00 0.00 N ATOM 409 CA LYS A 30 4.692 -8.826 -6.355 1.00 0.00 C ATOM 410 C LYS A 30 3.890 -7.756 -5.620 1.00 0.00 C ATOM 411 O LYS A 30 3.984 -6.571 -5.937 1.00 0.00 O ATOM 412 CB LYS A 30 6.190 -8.565 -6.180 1.00 0.00 C ATOM 413 CG LYS A 30 7.069 -9.661 -6.757 1.00 0.00 C ATOM 414 CD LYS A 30 8.453 -9.140 -7.105 1.00 0.00 C ATOM 415 CE LYS A 30 9.274 -8.859 -5.856 1.00 0.00 C ATOM 416 NZ LYS A 30 9.611 -10.110 -5.121 1.00 0.00 N ATOM 0 H LYS A 30 4.820 -8.148 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 30 4.446 -9.798 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.444 -7.618 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.410 -8.456 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.156 -10.475 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.599 -10.073 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.972 -9.870 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.362 -8.228 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.193 -8.342 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.718 -8.190 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.379 -9.920 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.773 -10.446 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.916 -10.839 -5.797 1.00 0.00 H new ATOM 430 N GLU A 31 3.103 -8.183 -4.637 1.00 0.00 N ATOM 431 CA GLU A 31 2.286 -7.260 -3.858 1.00 0.00 C ATOM 432 C GLU A 31 1.605 -6.239 -4.765 1.00 0.00 C ATOM 433 O GLU A 31 1.692 -5.029 -4.555 1.00 0.00 O ATOM 434 CB GLU A 31 3.144 -6.540 -2.815 1.00 0.00 C ATOM 435 CG GLU A 31 4.381 -5.877 -3.397 1.00 0.00 C ATOM 436 CD GLU A 31 5.214 -5.171 -2.345 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.699 -4.957 -1.227 1.00 0.00 O ATOM 438 OE2 GLU A 31 6.379 -4.832 -2.639 1.00 0.00 O ATOM 0 H GLU A 31 3.014 -9.161 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 31 1.516 -7.838 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.537 -5.784 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.451 -7.256 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.992 -6.630 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.079 -5.158 -4.159 1.00 0.00 H new ATOM 445 N PRO A 32 0.909 -6.736 -5.798 1.00 0.00 N ATOM 446 CA PRO A 32 0.199 -5.885 -6.757 1.00 0.00 C ATOM 447 C PRO A 32 -1.018 -5.205 -6.139 1.00 0.00 C ATOM 448 O PRO A 32 -1.529 -5.643 -5.108 1.00 0.00 O ATOM 449 CB PRO A 32 -0.234 -6.867 -7.849 1.00 0.00 C ATOM 450 CG PRO A 32 -0.310 -8.187 -7.163 1.00 0.00 C ATOM 451 CD PRO A 32 0.762 -8.168 -6.109 1.00 0.00 C ATOM 0 HA PRO A 32 0.825 -5.070 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.197 -6.586 -8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.483 -6.888 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.293 -8.339 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.150 -9.003 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.471 -8.742 -5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.694 -8.597 -6.476 1.00 0.00 H new ATOM 459 N VAL A 33 -1.478 -4.133 -6.775 1.00 0.00 N ATOM 460 CA VAL A 33 -2.636 -3.393 -6.289 1.00 0.00 C ATOM 461 C VAL A 33 -3.644 -3.153 -7.407 1.00 0.00 C ATOM 462 O VAL A 33 -3.348 -2.471 -8.388 1.00 0.00 O ATOM 463 CB VAL A 33 -2.223 -2.037 -5.685 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.289 -2.242 -4.502 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.572 -1.159 -6.743 1.00 0.00 C ATOM 0 H VAL A 33 -1.066 -3.757 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.098 -4.003 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.119 -1.530 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.008 -1.274 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.795 -2.830 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.394 -2.769 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.287 -0.205 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.685 -1.657 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.277 -0.984 -7.555 1.00 0.00 H new ATOM 475 N SER A 34 -4.837 -3.718 -7.251 1.00 0.00 N ATOM 476 CA SER A 34 -5.890 -3.568 -8.249 1.00 0.00 C ATOM 477 C SER A 34 -6.303 -2.106 -8.388 1.00 0.00 C ATOM 478 O SER A 34 -6.234 -1.336 -7.430 1.00 0.00 O ATOM 479 CB SER A 34 -7.104 -4.419 -7.873 1.00 0.00 C ATOM 480 OG SER A 34 -6.729 -5.765 -7.634 1.00 0.00 O ATOM 0 H SER A 34 -5.099 -4.284 -6.443 1.00 0.00 H new ATOM 0 HA SER A 34 -5.499 -3.910 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.579 -4.007 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.841 -4.380 -8.675 1.00 0.00 H new ATOM 0 HG SER A 34 -7.522 -6.288 -7.394 1.00 0.00 H new ATOM 486 N ALA A 35 -6.733 -1.730 -9.588 1.00 0.00 N ATOM 487 CA ALA A 35 -7.160 -0.362 -9.853 1.00 0.00 C ATOM 488 C ALA A 35 -8.549 -0.332 -10.482 1.00 0.00 C ATOM 489 O ALA A 35 -9.118 -1.375 -10.801 1.00 0.00 O ATOM 490 CB ALA A 35 -6.155 0.339 -10.756 1.00 0.00 C ATOM 0 H ALA A 35 -6.795 -2.354 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.209 0.167 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.487 1.360 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.180 0.359 -10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.078 -0.199 -11.701 1.00 0.00 H new ATOM 496 N ASP A 36 -9.088 0.870 -10.655 1.00 0.00 N ATOM 497 CA ASP A 36 -10.411 1.036 -11.246 1.00 0.00 C ATOM 498 C ASP A 36 -10.502 0.314 -12.587 1.00 0.00 C ATOM 499 O ASP A 36 -11.537 -0.260 -12.927 1.00 0.00 O ATOM 500 CB ASP A 36 -10.729 2.520 -11.429 1.00 0.00 C ATOM 501 CG ASP A 36 -10.198 3.370 -10.291 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.182 2.881 -9.142 1.00 0.00 O ATOM 503 OD2 ASP A 36 -9.799 4.525 -10.550 1.00 0.00 O ATOM 0 H ASP A 36 -8.630 1.743 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.142 0.597 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.300 2.867 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.809 2.651 -11.503 1.00 0.00 H new ATOM 508 N CYS A 37 -9.412 0.348 -13.346 1.00 0.00 N ATOM 509 CA CYS A 37 -9.367 -0.300 -14.651 1.00 0.00 C ATOM 510 C CYS A 37 -8.969 -1.767 -14.516 1.00 0.00 C ATOM 511 O CYS A 37 -8.225 -2.297 -15.340 1.00 0.00 O ATOM 512 CB CYS A 37 -8.383 0.424 -15.571 1.00 0.00 C ATOM 513 SG CYS A 37 -6.714 0.621 -14.866 1.00 0.00 S ATOM 0 H CYS A 37 -8.547 0.818 -13.079 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.365 -0.250 -15.087 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.307 -0.126 -16.509 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.783 1.409 -15.811 1.00 0.00 H new ATOM 518 N ASN A 38 -9.471 -2.417 -13.471 1.00 0.00 N ATOM 519 CA ASN A 38 -9.168 -3.823 -13.228 1.00 0.00 C ATOM 520 C ASN A 38 -7.738 -4.151 -13.647 1.00 0.00 C ATOM 521 O ASN A 38 -7.481 -5.191 -14.255 1.00 0.00 O ATOM 522 CB ASN A 38 -10.151 -4.717 -13.985 1.00 0.00 C ATOM 523 CG ASN A 38 -10.214 -4.385 -15.463 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.399 -4.863 -16.253 1.00 0.00 O ATOM 525 ND2 ASN A 38 -11.184 -3.562 -15.844 1.00 0.00 N ATOM 0 H ASN A 38 -10.089 -1.993 -12.779 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.267 -4.011 -12.159 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.858 -5.760 -13.862 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.144 -4.611 -13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.276 -3.302 -16.826 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.837 -3.190 -15.155 1.00 0.00 H new ATOM 532 N HIS A 39 -6.810 -3.258 -13.316 1.00 0.00 N ATOM 533 CA HIS A 39 -5.406 -3.454 -13.657 1.00 0.00 C ATOM 534 C HIS A 39 -4.522 -3.318 -12.420 1.00 0.00 C ATOM 535 O HIS A 39 -4.447 -2.249 -11.815 1.00 0.00 O ATOM 536 CB HIS A 39 -4.972 -2.445 -14.721 1.00 0.00 C ATOM 537 CG HIS A 39 -5.621 -2.664 -16.053 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.699 -1.685 -17.022 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.222 -3.758 -16.576 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.323 -2.167 -18.082 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.650 -3.423 -17.838 1.00 0.00 N ATOM 0 H HIS A 39 -7.005 -2.393 -12.813 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.292 -4.462 -14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.206 -1.439 -14.373 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.890 -2.498 -14.840 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.343 -4.716 -16.092 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.530 -1.626 -18.993 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.141 -4.044 -18.482 1.00 0.00 H new ATOM 549 N SER A 40 -3.857 -4.407 -12.051 1.00 0.00 N ATOM 550 CA SER A 40 -2.983 -4.411 -10.884 1.00 0.00 C ATOM 551 C SER A 40 -1.517 -4.382 -11.304 1.00 0.00 C ATOM 552 O SER A 40 -1.158 -4.858 -12.381 1.00 0.00 O ATOM 553 CB SER A 40 -3.254 -5.645 -10.021 1.00 0.00 C ATOM 554 OG SER A 40 -4.646 -5.881 -9.891 1.00 0.00 O ATOM 0 H SER A 40 -3.907 -5.299 -12.543 1.00 0.00 H new ATOM 0 HA SER A 40 -3.194 -3.515 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.774 -6.517 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.812 -5.507 -9.034 1.00 0.00 H new ATOM 0 HG SER A 40 -4.793 -6.676 -9.336 1.00 0.00 H new ATOM 560 N PHE A 41 -0.673 -3.820 -10.444 1.00 0.00 N ATOM 561 CA PHE A 41 0.755 -3.728 -10.725 1.00 0.00 C ATOM 562 C PHE A 41 1.568 -3.788 -9.435 1.00 0.00 C ATOM 563 O PHE A 41 1.126 -3.318 -8.386 1.00 0.00 O ATOM 564 CB PHE A 41 1.066 -2.432 -11.477 1.00 0.00 C ATOM 565 CG PHE A 41 -0.054 -1.970 -12.364 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.045 -1.134 -11.874 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.117 -2.373 -13.688 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.077 -0.707 -12.688 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.147 -1.949 -14.507 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.128 -1.116 -14.007 1.00 0.00 C ATOM 0 H PHE A 41 -0.953 -3.422 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 41 1.033 -4.578 -11.349 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.294 -1.648 -10.755 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.961 -2.578 -12.082 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.010 -0.812 -10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.647 -3.025 -14.085 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.842 -0.055 -12.294 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.184 -2.269 -15.538 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.934 -0.785 -14.645 1.00 0.00 H new ATOM 580 N CYS A 42 2.759 -4.371 -9.520 1.00 0.00 N ATOM 581 CA CYS A 42 3.635 -4.495 -8.361 1.00 0.00 C ATOM 582 C CYS A 42 3.608 -3.222 -7.520 1.00 0.00 C ATOM 583 O CYS A 42 3.826 -2.123 -8.032 1.00 0.00 O ATOM 584 CB CYS A 42 5.067 -4.795 -8.807 1.00 0.00 C ATOM 585 SG CYS A 42 5.200 -6.150 -10.018 1.00 0.00 S ATOM 0 H CYS A 42 3.140 -4.765 -10.380 1.00 0.00 H new ATOM 0 HA CYS A 42 3.272 -5.321 -7.749 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.498 -3.892 -9.239 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.664 -5.046 -7.930 1.00 0.00 H new ATOM 590 N ARG A 43 3.341 -3.378 -6.228 1.00 0.00 N ATOM 591 CA ARG A 43 3.285 -2.241 -5.317 1.00 0.00 C ATOM 592 C ARG A 43 4.300 -1.174 -5.716 1.00 0.00 C ATOM 593 O ARG A 43 3.985 0.015 -5.746 1.00 0.00 O ATOM 594 CB ARG A 43 3.547 -2.698 -3.881 1.00 0.00 C ATOM 595 CG ARG A 43 3.597 -1.558 -2.878 1.00 0.00 C ATOM 596 CD ARG A 43 2.209 -1.008 -2.590 1.00 0.00 C ATOM 597 NE ARG A 43 2.235 0.043 -1.576 1.00 0.00 N ATOM 598 CZ ARG A 43 1.308 0.989 -1.473 1.00 0.00 C ATOM 599 NH1 ARG A 43 0.286 1.014 -2.318 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.402 1.911 -0.523 1.00 0.00 N ATOM 0 H ARG A 43 3.160 -4.280 -5.788 1.00 0.00 H new ATOM 0 HA ARG A 43 2.286 -1.808 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.766 -3.398 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.492 -3.241 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.051 -1.908 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.233 -0.761 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.778 -0.613 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.561 -1.818 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 43 3.008 0.051 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.211 0.306 -3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.425 1.741 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.186 1.894 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.690 2.637 -0.445 1.00 0.00 H new ATOM 614 N ALA A 44 5.518 -1.608 -6.021 1.00 0.00 N ATOM 615 CA ALA A 44 6.579 -0.691 -6.419 1.00 0.00 C ATOM 616 C ALA A 44 6.323 -0.128 -7.813 1.00 0.00 C ATOM 617 O ALA A 44 6.294 1.088 -8.007 1.00 0.00 O ATOM 618 CB ALA A 44 7.928 -1.392 -6.371 1.00 0.00 C ATOM 0 H ALA A 44 5.795 -2.589 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 44 6.589 0.141 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.711 -0.695 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.121 -1.740 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.920 -2.243 -7.052 1.00 0.00 H new ATOM 624 N CYS A 45 6.138 -1.019 -8.781 1.00 0.00 N ATOM 625 CA CYS A 45 5.885 -0.611 -10.158 1.00 0.00 C ATOM 626 C CYS A 45 4.902 0.555 -10.208 1.00 0.00 C ATOM 627 O CYS A 45 5.253 1.658 -10.626 1.00 0.00 O ATOM 628 CB CYS A 45 5.339 -1.788 -10.968 1.00 0.00 C ATOM 629 SG CYS A 45 6.616 -2.958 -11.534 1.00 0.00 S ATOM 0 H CYS A 45 6.159 -2.029 -8.637 1.00 0.00 H new ATOM 0 HA CYS A 45 6.830 -0.286 -10.594 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.612 -2.327 -10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.805 -1.401 -11.836 1.00 0.00 H new ATOM 634 N ILE A 46 3.670 0.302 -9.779 1.00 0.00 N ATOM 635 CA ILE A 46 2.637 1.330 -9.774 1.00 0.00 C ATOM 636 C ILE A 46 3.182 2.654 -9.249 1.00 0.00 C ATOM 637 O ILE A 46 2.883 3.719 -9.790 1.00 0.00 O ATOM 638 CB ILE A 46 1.428 0.909 -8.917 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.387 2.029 -8.881 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.877 0.551 -7.508 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.474 2.095 -10.124 1.00 0.00 C ATOM 0 H ILE A 46 3.363 -0.606 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 46 2.313 1.457 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 46 0.971 0.028 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.255 1.889 -8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.897 2.984 -8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.012 0.256 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.587 -0.275 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.355 1.416 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.189 2.912 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.158 2.266 -10.996 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.012 1.155 -10.244 1.00 0.00 H new ATOM 653 N THR A 47 3.986 2.580 -8.193 1.00 0.00 N ATOM 654 CA THR A 47 4.574 3.772 -7.595 1.00 0.00 C ATOM 655 C THR A 47 5.472 4.500 -8.589 1.00 0.00 C ATOM 656 O THR A 47 5.168 5.615 -9.015 1.00 0.00 O ATOM 657 CB THR A 47 5.393 3.424 -6.339 1.00 0.00 C ATOM 658 OG1 THR A 47 4.575 2.717 -5.400 1.00 0.00 O ATOM 659 CG2 THR A 47 5.948 4.683 -5.688 1.00 0.00 C ATOM 0 H THR A 47 4.245 1.707 -7.734 1.00 0.00 H new ATOM 0 HA THR A 47 3.748 4.424 -7.311 1.00 0.00 H new ATOM 0 HB THR A 47 6.228 2.792 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.465 1.789 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.523 4.412 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.594 5.204 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.125 5.337 -5.400 1.00 0.00 H new ATOM 667 N LEU A 48 6.579 3.863 -8.955 1.00 0.00 N ATOM 668 CA LEU A 48 7.522 4.449 -9.900 1.00 0.00 C ATOM 669 C LEU A 48 6.815 4.872 -11.184 1.00 0.00 C ATOM 670 O LEU A 48 6.906 6.024 -11.604 1.00 0.00 O ATOM 671 CB LEU A 48 8.637 3.453 -10.223 1.00 0.00 C ATOM 672 CG LEU A 48 9.613 3.147 -9.087 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.511 1.976 -9.455 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.446 4.376 -8.753 1.00 0.00 C ATOM 0 H LEU A 48 6.845 2.940 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 48 7.957 5.335 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.179 2.517 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.205 3.837 -11.070 1.00 0.00 H new ATOM 0 HG LEU A 48 9.037 2.873 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.199 1.773 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.899 1.093 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.079 2.221 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.135 4.139 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.012 4.682 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.788 5.189 -8.444 1.00 0.00 H new ATOM 686 N ASN A 49 6.108 3.930 -11.802 1.00 0.00 N ATOM 687 CA ASN A 49 5.384 4.206 -13.037 1.00 0.00 C ATOM 688 C ASN A 49 4.530 5.462 -12.898 1.00 0.00 C ATOM 689 O ASN A 49 4.363 6.221 -13.854 1.00 0.00 O ATOM 690 CB ASN A 49 4.500 3.014 -13.411 1.00 0.00 C ATOM 691 CG ASN A 49 4.331 2.867 -14.911 1.00 0.00 C ATOM 692 OD1 ASN A 49 4.800 1.898 -15.508 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.659 3.832 -15.527 1.00 0.00 N ATOM 0 H ASN A 49 6.022 2.970 -11.468 1.00 0.00 H new ATOM 0 HA ASN A 49 6.115 4.371 -13.828 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.936 2.101 -13.006 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.520 3.132 -12.948 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.514 3.789 -16.536 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.288 4.617 -14.992 1.00 0.00 H new ATOM 700 N TYR A 50 3.992 5.676 -11.703 1.00 0.00 N ATOM 701 CA TYR A 50 3.153 6.839 -11.439 1.00 0.00 C ATOM 702 C TYR A 50 4.003 8.094 -11.263 1.00 0.00 C ATOM 703 O TYR A 50 3.856 9.064 -12.006 1.00 0.00 O ATOM 704 CB TYR A 50 2.301 6.607 -10.190 1.00 0.00 C ATOM 705 CG TYR A 50 1.893 7.884 -9.490 1.00 0.00 C ATOM 706 CD1 TYR A 50 2.691 8.441 -8.499 1.00 0.00 C ATOM 707 CD2 TYR A 50 0.709 8.532 -9.819 1.00 0.00 C ATOM 708 CE1 TYR A 50 2.322 9.607 -7.856 1.00 0.00 C ATOM 709 CE2 TYR A 50 0.333 9.699 -9.183 1.00 0.00 C ATOM 710 CZ TYR A 50 1.142 10.232 -8.202 1.00 0.00 C ATOM 711 OH TYR A 50 0.770 11.394 -7.564 1.00 0.00 O ATOM 0 H TYR A 50 4.122 5.059 -10.901 1.00 0.00 H new ATOM 0 HA TYR A 50 2.496 6.984 -12.296 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.405 6.053 -10.469 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.857 5.982 -9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.616 7.954 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.072 8.116 -10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.954 10.027 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.590 10.191 -9.453 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.205 11.486 -7.594 1.00 0.00 H new ATOM 721 N GLU A 51 4.891 8.066 -10.275 1.00 0.00 N ATOM 722 CA GLU A 51 5.764 9.201 -10.001 1.00 0.00 C ATOM 723 C GLU A 51 6.576 9.575 -11.238 1.00 0.00 C ATOM 724 O GLU A 51 7.007 10.718 -11.389 1.00 0.00 O ATOM 725 CB GLU A 51 6.705 8.880 -8.838 1.00 0.00 C ATOM 726 CG GLU A 51 7.509 7.607 -9.039 1.00 0.00 C ATOM 727 CD GLU A 51 8.886 7.681 -8.409 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.807 8.225 -9.053 1.00 0.00 O ATOM 729 OE2 GLU A 51 9.043 7.193 -7.269 1.00 0.00 O ATOM 0 H GLU A 51 5.025 7.270 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 51 5.138 10.050 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.392 9.715 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.120 8.789 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.963 6.766 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.612 7.412 -10.106 1.00 0.00 H new ATOM 736 N SER A 52 6.780 8.601 -12.120 1.00 0.00 N ATOM 737 CA SER A 52 7.543 8.826 -13.342 1.00 0.00 C ATOM 738 C SER A 52 6.707 9.575 -14.375 1.00 0.00 C ATOM 739 O SER A 52 7.211 10.447 -15.082 1.00 0.00 O ATOM 740 CB SER A 52 8.018 7.492 -13.924 1.00 0.00 C ATOM 741 OG SER A 52 9.210 7.057 -13.295 1.00 0.00 O ATOM 0 H SER A 52 6.428 7.650 -12.011 1.00 0.00 H new ATOM 0 HA SER A 52 8.411 9.436 -13.092 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.240 6.739 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.187 7.599 -14.996 1.00 0.00 H new ATOM 0 HG SER A 52 8.987 6.545 -12.490 1.00 0.00 H new ATOM 747 N ASN A 53 5.427 9.229 -14.455 1.00 0.00 N ATOM 748 CA ASN A 53 4.520 9.868 -15.402 1.00 0.00 C ATOM 749 C ASN A 53 3.453 10.678 -14.671 1.00 0.00 C ATOM 750 O ASN A 53 2.373 10.926 -15.205 1.00 0.00 O ATOM 751 CB ASN A 53 3.856 8.817 -16.293 1.00 0.00 C ATOM 752 CG ASN A 53 4.800 8.273 -17.348 1.00 0.00 C ATOM 753 OD1 ASN A 53 4.652 8.559 -18.536 1.00 0.00 O ATOM 754 ND2 ASN A 53 5.778 7.484 -16.916 1.00 0.00 N ATOM 0 H ASN A 53 4.994 8.510 -13.876 1.00 0.00 H new ATOM 0 HA ASN A 53 5.104 10.546 -16.025 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.495 7.996 -15.674 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.985 9.255 -16.780 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.445 7.088 -17.579 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.862 7.274 -15.921 1.00 0.00 H new ATOM 761 N ARG A 54 3.766 11.088 -13.445 1.00 0.00 N ATOM 762 CA ARG A 54 2.835 11.869 -12.641 1.00 0.00 C ATOM 763 C ARG A 54 2.684 13.281 -13.200 1.00 0.00 C ATOM 764 O ARG A 54 3.650 13.876 -13.677 1.00 0.00 O ATOM 765 CB ARG A 54 3.311 11.933 -11.189 1.00 0.00 C ATOM 766 CG ARG A 54 4.443 12.921 -10.962 1.00 0.00 C ATOM 767 CD ARG A 54 4.559 13.309 -9.496 1.00 0.00 C ATOM 768 NE ARG A 54 5.671 14.226 -9.259 1.00 0.00 N ATOM 769 CZ ARG A 54 5.718 15.075 -8.238 1.00 0.00 C ATOM 770 NH1 ARG A 54 4.722 15.123 -7.365 1.00 0.00 N ATOM 771 NH2 ARG A 54 6.765 15.877 -8.089 1.00 0.00 N ATOM 0 H ARG A 54 4.657 10.892 -12.988 1.00 0.00 H new ATOM 0 HA ARG A 54 1.863 11.377 -12.677 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.470 12.205 -10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.639 10.941 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.383 12.483 -11.299 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.274 13.814 -11.564 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.629 13.775 -9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.695 12.411 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 54 6.454 14.214 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.917 14.507 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.761 15.776 -6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.534 15.842 -8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.801 16.529 -7.305 1.00 0.00 H new ATOM 785 N ASN A 55 1.466 13.809 -13.139 1.00 0.00 N ATOM 786 CA ASN A 55 1.189 15.151 -13.641 1.00 0.00 C ATOM 787 C ASN A 55 1.384 16.193 -12.543 1.00 0.00 C ATOM 788 O ASN A 55 0.712 17.224 -12.525 1.00 0.00 O ATOM 789 CB ASN A 55 -0.238 15.229 -14.187 1.00 0.00 C ATOM 790 CG ASN A 55 -1.175 14.257 -13.496 1.00 0.00 C ATOM 791 OD1 ASN A 55 -0.908 13.057 -13.435 1.00 0.00 O ATOM 792 ND2 ASN A 55 -2.280 14.774 -12.971 1.00 0.00 N ATOM 0 H ASN A 55 0.656 13.329 -12.748 1.00 0.00 H new ATOM 0 HA ASN A 55 1.891 15.363 -14.447 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.616 16.244 -14.064 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.227 15.020 -15.257 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.949 14.170 -12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.460 15.775 -13.046 1.00 0.00 H new ATOM 799 N THR A 56 2.309 15.916 -11.630 1.00 0.00 N ATOM 800 CA THR A 56 2.593 16.829 -10.529 1.00 0.00 C ATOM 801 C THR A 56 1.305 17.380 -9.927 1.00 0.00 C ATOM 802 O THR A 56 1.265 18.519 -9.462 1.00 0.00 O ATOM 803 CB THR A 56 3.477 18.004 -10.987 1.00 0.00 C ATOM 804 OG1 THR A 56 3.915 18.758 -9.851 1.00 0.00 O ATOM 805 CG2 THR A 56 2.718 18.912 -11.943 1.00 0.00 C ATOM 0 H THR A 56 2.874 15.067 -11.631 1.00 0.00 H new ATOM 0 HA THR A 56 3.129 16.256 -9.772 1.00 0.00 H new ATOM 0 HB THR A 56 4.343 17.597 -11.509 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.138 19.032 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.363 19.734 -12.253 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.411 18.342 -12.820 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.836 19.311 -11.442 1.00 0.00 H new ATOM 813 N ASP A 57 0.256 16.566 -9.938 1.00 0.00 N ATOM 814 CA ASP A 57 -1.033 16.972 -9.390 1.00 0.00 C ATOM 815 C ASP A 57 -1.555 15.934 -8.402 1.00 0.00 C ATOM 816 O ASP A 57 -1.950 16.269 -7.286 1.00 0.00 O ATOM 817 CB ASP A 57 -2.047 17.177 -10.517 1.00 0.00 C ATOM 818 CG ASP A 57 -1.949 18.555 -11.141 1.00 0.00 C ATOM 819 OD1 ASP A 57 -0.885 19.195 -11.002 1.00 0.00 O ATOM 820 OD2 ASP A 57 -2.934 18.993 -11.770 1.00 0.00 O ATOM 0 H ASP A 57 0.273 15.621 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.895 17.914 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.889 16.421 -11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.054 17.029 -10.127 1.00 0.00 H new ATOM 825 N GLY A 58 -1.554 14.672 -8.820 1.00 0.00 N ATOM 826 CA GLY A 58 -2.031 13.605 -7.960 1.00 0.00 C ATOM 827 C GLY A 58 -2.491 12.391 -8.742 1.00 0.00 C ATOM 828 O GLY A 58 -2.298 11.254 -8.310 1.00 0.00 O ATOM 0 H GLY A 58 -1.231 14.370 -9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.235 13.312 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.856 13.975 -7.351 1.00 0.00 H new ATOM 832 N LYS A 59 -3.103 12.630 -9.897 1.00 0.00 N ATOM 833 CA LYS A 59 -3.592 11.548 -10.743 1.00 0.00 C ATOM 834 C LYS A 59 -2.457 10.941 -11.561 1.00 0.00 C ATOM 835 O LYS A 59 -1.374 11.515 -11.660 1.00 0.00 O ATOM 836 CB LYS A 59 -4.691 12.061 -11.677 1.00 0.00 C ATOM 837 CG LYS A 59 -5.987 12.402 -10.963 1.00 0.00 C ATOM 838 CD LYS A 59 -7.190 12.214 -11.871 1.00 0.00 C ATOM 839 CE LYS A 59 -7.750 10.803 -11.770 1.00 0.00 C ATOM 840 NZ LYS A 59 -9.146 10.722 -12.281 1.00 0.00 N ATOM 0 H LYS A 59 -3.272 13.565 -10.269 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.005 10.773 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.329 12.948 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.892 11.305 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.094 11.771 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.951 13.434 -10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.964 12.934 -11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.904 12.420 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.116 10.120 -12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.724 10.476 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.254 9.866 -12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.807 10.682 -11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.353 11.561 -12.859 1.00 0.00 H new ATOM 854 N GLY A 60 -2.714 9.775 -12.147 1.00 0.00 N ATOM 855 CA GLY A 60 -1.704 9.110 -12.950 1.00 0.00 C ATOM 856 C GLY A 60 -2.302 8.334 -14.107 1.00 0.00 C ATOM 857 O GLY A 60 -3.436 7.865 -14.028 1.00 0.00 O ATOM 0 H GLY A 60 -3.603 9.279 -12.080 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.005 9.852 -13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.131 8.431 -12.318 1.00 0.00 H new ATOM 861 N ASN A 61 -1.537 8.200 -15.186 1.00 0.00 N ATOM 862 CA ASN A 61 -1.999 7.477 -16.365 1.00 0.00 C ATOM 863 C ASN A 61 -1.579 6.012 -16.304 1.00 0.00 C ATOM 864 O ASN A 61 -0.447 5.694 -15.938 1.00 0.00 O ATOM 865 CB ASN A 61 -1.445 8.126 -17.636 1.00 0.00 C ATOM 866 CG ASN A 61 -0.034 8.648 -17.450 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.931 7.883 -17.466 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.093 9.958 -17.271 1.00 0.00 N ATOM 0 H ASN A 61 -0.595 8.583 -15.268 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.088 7.523 -16.386 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.456 7.398 -18.447 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.097 8.947 -17.935 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.018 10.367 -17.140 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.734 10.554 -17.265 1.00 0.00 H new ATOM 875 N CYS A 62 -2.499 5.123 -16.665 1.00 0.00 N ATOM 876 CA CYS A 62 -2.225 3.691 -16.652 1.00 0.00 C ATOM 877 C CYS A 62 -1.318 3.300 -17.815 1.00 0.00 C ATOM 878 O CYS A 62 -1.548 3.671 -18.966 1.00 0.00 O ATOM 879 CB CYS A 62 -3.533 2.901 -16.723 1.00 0.00 C ATOM 880 SG CYS A 62 -3.350 1.126 -16.356 1.00 0.00 S ATOM 0 H CYS A 62 -3.441 5.369 -16.970 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.713 3.452 -15.720 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.246 3.335 -16.021 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.959 3.013 -17.720 1.00 0.00 H new ATOM 885 N PRO A 63 -0.262 2.532 -17.509 1.00 0.00 N ATOM 886 CA PRO A 63 0.701 2.072 -18.514 1.00 0.00 C ATOM 887 C PRO A 63 0.101 1.040 -19.462 1.00 0.00 C ATOM 888 O PRO A 63 0.809 0.436 -20.268 1.00 0.00 O ATOM 889 CB PRO A 63 1.817 1.444 -17.676 1.00 0.00 C ATOM 890 CG PRO A 63 1.152 1.035 -16.407 1.00 0.00 C ATOM 891 CD PRO A 63 0.073 2.052 -16.158 1.00 0.00 C ATOM 0 HA PRO A 63 1.039 2.885 -19.157 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.260 0.588 -18.185 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.621 2.156 -17.490 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.732 0.033 -16.492 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.865 1.013 -15.583 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.791 1.608 -15.664 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.424 2.862 -15.519 1.00 0.00 H new ATOM 899 N VAL A 64 -1.210 0.842 -19.362 1.00 0.00 N ATOM 900 CA VAL A 64 -1.906 -0.117 -20.212 1.00 0.00 C ATOM 901 C VAL A 64 -3.067 0.543 -20.947 1.00 0.00 C ATOM 902 O VAL A 64 -3.129 0.524 -22.177 1.00 0.00 O ATOM 903 CB VAL A 64 -2.440 -1.308 -19.394 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.236 -2.251 -20.282 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.294 -2.042 -18.714 1.00 0.00 C ATOM 0 H VAL A 64 -1.811 1.333 -18.701 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.180 -0.482 -20.939 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.107 -0.927 -18.621 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.605 -3.086 -19.687 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.079 -1.715 -20.718 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.595 -2.629 -21.079 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.689 -2.881 -18.140 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.601 -2.413 -19.469 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.770 -1.359 -18.045 1.00 0.00 H new ATOM 915 N CYS A 65 -3.988 1.125 -20.186 1.00 0.00 N ATOM 916 CA CYS A 65 -5.149 1.791 -20.764 1.00 0.00 C ATOM 917 C CYS A 65 -4.968 3.306 -20.754 1.00 0.00 C ATOM 918 O CYS A 65 -5.714 4.035 -21.407 1.00 0.00 O ATOM 919 CB CYS A 65 -6.415 1.413 -19.993 1.00 0.00 C ATOM 920 SG CYS A 65 -6.335 1.772 -18.209 1.00 0.00 S ATOM 0 H CYS A 65 -3.953 1.149 -19.167 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.249 1.461 -21.798 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.262 1.948 -20.423 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.607 0.349 -20.130 1.00 0.00 H new ATOM 925 N ARG A 66 -3.970 3.773 -20.009 1.00 0.00 N ATOM 926 CA ARG A 66 -3.691 5.200 -19.914 1.00 0.00 C ATOM 927 C ARG A 66 -4.900 5.955 -19.368 1.00 0.00 C ATOM 928 O ARG A 66 -5.269 7.012 -19.880 1.00 0.00 O ATOM 929 CB ARG A 66 -3.305 5.759 -21.284 1.00 0.00 C ATOM 930 CG ARG A 66 -2.037 5.145 -21.857 1.00 0.00 C ATOM 931 CD ARG A 66 -0.794 5.711 -21.189 1.00 0.00 C ATOM 932 NE ARG A 66 0.386 5.596 -22.042 1.00 0.00 N ATOM 933 CZ ARG A 66 0.958 4.438 -22.352 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.461 3.302 -21.883 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.030 4.415 -23.135 1.00 0.00 N ATOM 0 H ARG A 66 -3.342 3.183 -19.463 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.857 5.336 -19.226 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.127 5.591 -21.980 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.172 6.838 -21.203 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.063 4.063 -21.724 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.993 5.333 -22.930 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.961 6.759 -20.941 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.616 5.186 -20.251 1.00 0.00 H new ATOM 0 HE ARG A 66 0.793 6.451 -22.420 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.363 3.315 -21.282 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.903 2.414 -22.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.415 5.287 -23.499 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.469 3.525 -23.373 1.00 0.00 H new ATOM 949 N VAL A 67 -5.512 5.405 -18.324 1.00 0.00 N ATOM 950 CA VAL A 67 -6.678 6.026 -17.707 1.00 0.00 C ATOM 951 C VAL A 67 -6.309 6.706 -16.393 1.00 0.00 C ATOM 952 O VAL A 67 -5.570 6.163 -15.571 1.00 0.00 O ATOM 953 CB VAL A 67 -7.791 4.994 -17.444 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.386 4.046 -16.325 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.100 5.695 -17.113 1.00 0.00 C ATOM 0 H VAL A 67 -5.220 4.531 -17.888 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.046 6.775 -18.409 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.940 4.406 -18.350 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.184 3.324 -16.153 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.474 3.519 -16.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.209 4.615 -15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.875 4.951 -16.930 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.969 6.309 -16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.395 6.328 -17.950 1.00 0.00 H new ATOM 965 N PRO A 68 -6.835 7.922 -16.188 1.00 0.00 N ATOM 966 CA PRO A 68 -6.575 8.702 -14.974 1.00 0.00 C ATOM 967 C PRO A 68 -7.243 8.099 -13.743 1.00 0.00 C ATOM 968 O PRO A 68 -8.461 8.176 -13.586 1.00 0.00 O ATOM 969 CB PRO A 68 -7.182 10.070 -15.295 1.00 0.00 C ATOM 970 CG PRO A 68 -8.233 9.789 -16.313 1.00 0.00 C ATOM 971 CD PRO A 68 -7.723 8.630 -17.125 1.00 0.00 C ATOM 0 HA PRO A 68 -5.513 8.737 -14.732 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.607 10.533 -14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.429 10.756 -15.683 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.182 9.544 -15.837 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.408 10.660 -16.944 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.537 7.991 -17.468 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.186 8.966 -18.012 1.00 0.00 H new ATOM 979 N TYR A 69 -6.438 7.499 -12.874 1.00 0.00 N ATOM 980 CA TYR A 69 -6.951 6.880 -11.657 1.00 0.00 C ATOM 981 C TYR A 69 -6.414 7.588 -10.417 1.00 0.00 C ATOM 982 O TYR A 69 -5.244 7.963 -10.343 1.00 0.00 O ATOM 983 CB TYR A 69 -6.574 5.398 -11.615 1.00 0.00 C ATOM 984 CG TYR A 69 -5.082 5.153 -11.597 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.378 5.128 -10.400 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.377 4.949 -12.777 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.014 4.905 -10.378 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.014 4.724 -12.764 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.337 4.703 -11.563 1.00 0.00 C ATOM 990 OH TYR A 69 -0.979 4.481 -11.546 1.00 0.00 O ATOM 0 H TYR A 69 -5.427 7.428 -12.989 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.037 6.972 -11.664 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.019 4.943 -10.730 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.006 4.897 -12.482 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.905 5.285 -9.471 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.903 4.967 -13.720 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.481 4.889 -9.439 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.481 4.565 -13.690 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.656 4.357 -12.463 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.290 7.776 -9.419 1.00 0.00 N ATOM 1001 CA PRO A 70 -6.928 8.439 -8.163 1.00 0.00 C ATOM 1002 C PRO A 70 -5.989 7.593 -7.310 1.00 0.00 C ATOM 1003 O PRO A 70 -6.382 6.554 -6.780 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.274 8.620 -7.456 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.142 7.546 -8.015 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.701 7.356 -9.440 1.00 0.00 C ATOM 0 HA PRO A 70 -6.392 9.372 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.170 8.523 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.693 9.608 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.034 6.622 -7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.193 7.829 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.807 6.319 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.291 7.962 -10.127 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.745 8.044 -7.182 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.750 7.327 -6.394 1.00 0.00 C ATOM 1016 C PHE A 71 -4.267 7.050 -4.985 1.00 0.00 C ATOM 1017 O PHE A 71 -5.082 7.803 -4.453 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.450 8.131 -6.323 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.333 7.405 -5.628 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.600 6.436 -6.292 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.018 7.692 -4.309 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.428 5.767 -5.656 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.009 7.026 -3.668 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.732 6.062 -4.341 1.00 0.00 C ATOM 0 H PHE A 71 -4.403 8.902 -7.614 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.554 6.373 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.134 8.385 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.641 9.070 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.835 6.200 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.581 8.444 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.993 5.015 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.246 7.260 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.534 5.539 -3.841 1.00 0.00 H new ATOM 1034 N GLY A 72 -3.787 5.964 -4.388 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.213 5.605 -3.048 1.00 0.00 C ATOM 1036 C GLY A 72 -5.446 4.723 -3.047 1.00 0.00 C ATOM 1037 O GLY A 72 -5.593 3.852 -2.191 1.00 0.00 O ATOM 0 H GLY A 72 -3.111 5.326 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.400 5.088 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.419 6.513 -2.480 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.335 4.952 -4.008 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.563 4.172 -4.113 1.00 0.00 C ATOM 1043 C ASN A 73 -7.296 2.823 -4.775 1.00 0.00 C ATOM 1044 O ASN A 73 -8.062 2.377 -5.631 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.615 4.945 -4.911 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.027 4.481 -4.607 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.520 3.525 -5.205 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.684 5.160 -3.673 1.00 0.00 N ATOM 0 H ASN A 73 -6.228 5.670 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.939 3.994 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.529 6.008 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.418 4.827 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.637 4.895 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.235 5.946 -3.203 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.207 2.178 -4.372 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.839 0.880 -4.925 1.00 0.00 C ATOM 1057 C LEU A 74 -5.994 -0.221 -3.880 1.00 0.00 C ATOM 1058 O LEU A 74 -5.549 -0.078 -2.741 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.398 0.912 -5.438 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.046 2.067 -6.376 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.554 2.358 -6.328 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.483 1.751 -7.799 1.00 0.00 C ATOM 0 H LEU A 74 -5.564 2.533 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.510 0.664 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.728 0.951 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.197 -0.025 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.580 2.956 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.322 3.183 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.269 2.629 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.000 1.471 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.224 2.584 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.977 0.849 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.561 1.593 -7.822 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.626 -1.320 -4.275 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.837 -2.448 -3.375 1.00 0.00 C ATOM 1076 C LYS A 75 -5.804 -3.542 -3.622 1.00 0.00 C ATOM 1077 O LYS A 75 -5.401 -3.805 -4.755 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.248 -3.014 -3.556 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.348 -2.001 -3.290 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.716 -2.662 -3.253 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.816 -1.650 -2.970 1.00 0.00 C ATOM 1082 NZ LYS A 75 -13.171 -2.232 -3.175 1.00 0.00 N ATOM 0 H LYS A 75 -7.002 -1.454 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.724 -2.090 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.351 -3.391 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.378 -3.864 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.160 -1.498 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.334 -1.235 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.909 -3.154 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.727 -3.437 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.726 -1.293 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.690 -0.785 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.893 -1.511 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.267 -2.550 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.301 -3.042 -2.536 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.363 -4.196 -2.537 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.372 -5.274 -2.611 1.00 0.00 C ATOM 1098 C PRO A 76 -4.932 -6.533 -3.264 1.00 0.00 C ATOM 1099 O PRO A 76 -6.118 -6.834 -3.136 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.028 -5.541 -1.143 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.231 -5.095 -0.385 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.800 -3.935 -1.155 1.00 0.00 C ATOM 0 HA PRO A 76 -3.513 -4.996 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.821 -6.597 -0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.140 -4.988 -0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.959 -5.901 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.965 -4.797 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.887 -3.896 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.419 -2.982 -0.786 1.00 0.00 H new ATOM 1110 N ASN A 77 -4.071 -7.265 -3.963 1.00 0.00 N ATOM 1111 CA ASN A 77 -4.481 -8.492 -4.636 1.00 0.00 C ATOM 1112 C ASN A 77 -3.696 -9.690 -4.109 1.00 0.00 C ATOM 1113 O ASN A 77 -2.465 -9.673 -4.075 1.00 0.00 O ATOM 1114 CB ASN A 77 -4.279 -8.361 -6.147 1.00 0.00 C ATOM 1115 CG ASN A 77 -4.660 -9.625 -6.893 1.00 0.00 C ATOM 1116 OD1 ASN A 77 -5.689 -10.239 -6.611 1.00 0.00 O ATOM 1117 ND2 ASN A 77 -3.829 -10.020 -7.851 1.00 0.00 N ATOM 0 H ASN A 77 -3.085 -7.030 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.539 -8.654 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.876 -7.529 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.235 -8.122 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.033 -10.864 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.987 -9.480 -8.051 1.00 0.00 H new ATOM 1124 N LEU A 78 -4.417 -10.728 -3.699 1.00 0.00 N ATOM 1125 CA LEU A 78 -3.789 -11.935 -3.174 1.00 0.00 C ATOM 1126 C LEU A 78 -4.072 -13.132 -4.076 1.00 0.00 C ATOM 1127 O LEU A 78 -4.845 -13.036 -5.030 1.00 0.00 O ATOM 1128 CB LEU A 78 -4.291 -12.220 -1.758 1.00 0.00 C ATOM 1129 CG LEU A 78 -3.558 -11.495 -0.628 1.00 0.00 C ATOM 1130 CD1 LEU A 78 -3.947 -10.025 -0.596 1.00 0.00 C ATOM 1131 CD2 LEU A 78 -3.855 -12.156 0.711 1.00 0.00 C ATOM 0 H LEU A 78 -5.436 -10.758 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.712 -11.771 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.347 -11.955 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.223 -13.293 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.486 -11.562 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.416 -9.526 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.683 -9.558 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.021 -9.936 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.325 -11.627 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.927 -12.120 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.526 -13.195 0.685 1.00 0.00 H new ATOM 1143 N HIS A 79 -3.442 -14.262 -3.767 1.00 0.00 N ATOM 1144 CA HIS A 79 -3.629 -15.479 -4.548 1.00 0.00 C ATOM 1145 C HIS A 79 -5.080 -15.621 -4.995 1.00 0.00 C ATOM 1146 O HIS A 79 -5.950 -15.994 -4.207 1.00 0.00 O ATOM 1147 CB HIS A 79 -3.212 -16.703 -3.732 1.00 0.00 C ATOM 1148 CG HIS A 79 -3.049 -17.944 -4.554 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -4.075 -18.839 -4.775 1.00 0.00 N ATOM 1150 CD2 HIS A 79 -1.973 -18.437 -5.210 1.00 0.00 C ATOM 1151 CE1 HIS A 79 -3.635 -19.830 -5.532 1.00 0.00 C ATOM 1152 NE2 HIS A 79 -2.363 -19.609 -5.810 1.00 0.00 N ATOM 0 H HIS A 79 -2.798 -14.359 -2.982 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.000 -15.412 -5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.272 -16.488 -3.224 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.958 -16.885 -2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.990 -17.991 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.217 -20.676 -5.866 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -1.767 -20.211 -6.378 1.00 0.00 H new ATOM 1160 N VAL A 80 -5.336 -15.321 -6.264 1.00 0.00 N ATOM 1161 CA VAL A 80 -6.683 -15.415 -6.816 1.00 0.00 C ATOM 1162 C VAL A 80 -6.646 -15.798 -8.291 1.00 0.00 C ATOM 1163 O VAL A 80 -6.079 -15.082 -9.115 1.00 0.00 O ATOM 1164 CB VAL A 80 -7.448 -14.088 -6.660 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -6.719 -12.964 -7.381 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -8.871 -14.229 -7.178 1.00 0.00 C ATOM 0 H VAL A 80 -4.628 -15.011 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.202 -16.192 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.495 -13.838 -5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.274 -12.034 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.721 -12.848 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.639 -13.203 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.397 -13.282 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.849 -14.503 -8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.389 -15.004 -6.613 1.00 0.00 H new ATOM 1176 N ALA A 81 -7.257 -16.933 -8.617 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.297 -17.411 -9.994 1.00 0.00 C ATOM 1178 C ALA A 81 -8.477 -16.809 -10.749 1.00 0.00 C ATOM 1179 O ALA A 81 -9.623 -16.917 -10.316 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.367 -18.930 -10.023 1.00 0.00 C ATOM 0 H ALA A 81 -7.731 -17.538 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.381 -17.092 -10.491 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.396 -19.273 -11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.489 -19.344 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.266 -19.263 -9.505 1.00 0.00 H new ATOM 1186 N ASN A 82 -8.188 -16.176 -11.881 1.00 0.00 N ATOM 1187 CA ASN A 82 -9.226 -15.556 -12.697 1.00 0.00 C ATOM 1188 C ASN A 82 -9.234 -16.142 -14.105 1.00 0.00 C ATOM 1189 O ASN A 82 -10.248 -16.670 -14.563 1.00 0.00 O ATOM 1190 CB ASN A 82 -9.015 -14.042 -12.764 1.00 0.00 C ATOM 1191 CG ASN A 82 -10.025 -13.356 -13.663 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -10.201 -13.738 -14.821 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -10.694 -12.339 -13.134 1.00 0.00 N ATOM 0 H ASN A 82 -7.244 -16.079 -12.254 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.190 -15.762 -12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.084 -13.624 -11.760 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.009 -13.834 -13.128 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.387 -11.839 -13.691 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.515 -12.057 -12.170 1.00 0.00 H new ATOM 1200 N ILE A 83 -8.097 -16.046 -14.787 1.00 0.00 N ATOM 1201 CA ILE A 83 -7.973 -16.568 -16.142 1.00 0.00 C ATOM 1202 C ILE A 83 -7.788 -18.082 -16.133 1.00 0.00 C ATOM 1203 O ILE A 83 -8.001 -18.750 -17.145 1.00 0.00 O ATOM 1204 CB ILE A 83 -6.790 -15.923 -16.887 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -6.980 -14.407 -16.975 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -6.647 -16.526 -18.277 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -8.260 -13.998 -17.669 1.00 0.00 C ATOM 0 H ILE A 83 -7.249 -15.612 -14.423 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.899 -16.320 -16.662 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.875 -16.124 -16.329 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.972 -13.989 -15.968 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.133 -13.973 -17.507 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.807 -16.060 -18.791 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.471 -17.598 -18.192 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.561 -16.352 -18.845 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.328 -12.910 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.262 -14.386 -18.688 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.114 -14.402 -17.125 1.00 0.00 H new ATOM 1219 N VAL A 84 -7.394 -18.618 -14.982 1.00 0.00 N ATOM 1220 CA VAL A 84 -7.184 -20.053 -14.840 1.00 0.00 C ATOM 1221 C VAL A 84 -8.509 -20.789 -14.678 1.00 0.00 C ATOM 1222 O VAL A 84 -8.603 -21.985 -14.953 1.00 0.00 O ATOM 1223 CB VAL A 84 -6.282 -20.372 -13.632 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -6.076 -21.873 -13.500 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -4.948 -19.651 -13.760 1.00 0.00 C ATOM 0 H VAL A 84 -7.214 -18.079 -14.135 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.692 -20.392 -15.752 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.776 -20.017 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.437 -22.078 -12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.040 -22.362 -13.359 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.603 -22.256 -14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.323 -19.887 -12.899 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.446 -19.974 -14.672 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.118 -18.575 -13.801 1.00 0.00 H new ATOM 1235 N GLU A 85 -9.531 -20.066 -14.232 1.00 0.00 N ATOM 1236 CA GLU A 85 -10.852 -20.651 -14.033 1.00 0.00 C ATOM 1237 C GLU A 85 -11.935 -19.578 -14.083 1.00 0.00 C ATOM 1238 O GLU A 85 -11.665 -18.431 -13.730 1.00 0.00 O ATOM 1239 CB GLU A 85 -10.911 -21.390 -12.695 1.00 0.00 C ATOM 1240 CG GLU A 85 -11.996 -22.452 -12.633 1.00 0.00 C ATOM 1241 CD GLU A 85 -11.690 -23.540 -11.623 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -11.896 -23.301 -10.414 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -11.246 -24.630 -12.039 1.00 0.00 O ATOM 0 H GLU A 85 -9.470 -19.074 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.032 -21.362 -14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.945 -21.858 -12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.077 -20.666 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.946 -21.981 -12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.117 -22.900 -13.619 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 5.708 -4.889 -11.988 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -5.403 0.250 -16.836 1.00 0.00 ZN