USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= 0.91 K(o=0.72,f=-6.7!) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.195 K(o=0.72,f=-1.6!) USER MOD Set 2.1: A 37 SER OG : rot -72:sc= 2.01 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.665 K(o=2.7,f=1.5) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.183 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc=-0.00125 (180deg=-0.0973) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.37 K(o=1.4,f=-7.9!) USER MOD Single : A 20 SER OG : rot -48:sc= 1.28 USER MOD Single : A 23 LYS NZ :NH3+ -136:sc= -0.0273 (180deg=-0.92) USER MOD Single : A 26 THR OG1 : rot 88:sc= 0.737 USER MOD Single : A 27 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= 1.78 K(o=1.8,f=-5.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 33 THR OG1 : rot 100:sc= 0.302 USER MOD Single : A 35 HIS : no HE2:sc= 1.01 K(o=1,f=-3.4!) USER MOD Single : A 42 MET CE :methyl 176:sc= 0 (180deg=-0.0234) USER MOD Single : A 44 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0407 F(o=-2.1,f=-0.041) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 55 HIS : no HE2:sc= 0.358 K(o=0.36,f=-3!) USER MOD Single : A 57 GLN : amide:sc= 0.924 K(o=0.92,f=-4.9!) USER MOD Single : A 61 THR OG1 : rot -66:sc= 0.886 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0262) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0215) USER MOD Single : A 71 HIS : no HE2:sc= 0.997 K(o=1,f=-3.6!) USER MOD Single : A 73 HIS : no HE2:sc= 0.699 K(o=0.7,f=-3.4!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.145 -33.701 -23.667 1.00 10.00 N ATOM 2 CA GLY A 1 8.099 -32.729 -23.417 1.00 10.00 C ATOM 3 C GLY A 1 8.321 -32.094 -22.046 1.00 10.00 C ATOM 4 O GLY A 1 9.266 -32.456 -21.343 1.00 10.00 O ATOM 0 H1 GLY A 1 9.663 -33.439 -24.530 1.00 10.00 H new ATOM 0 H2 GLY A 1 9.802 -33.719 -22.861 1.00 10.00 H new ATOM 0 H3 GLY A 1 8.722 -34.643 -23.789 1.00 10.00 H new ATOM 0 HA2 GLY A 1 8.106 -31.962 -24.192 1.00 10.00 H new ATOM 0 HA3 GLY A 1 7.122 -33.211 -23.454 1.00 10.00 H new ATOM 8 N VAL A 2 7.458 -31.150 -21.664 1.00 10.00 N ATOM 9 CA VAL A 2 7.558 -30.491 -20.369 1.00 10.00 C ATOM 10 C VAL A 2 7.255 -31.492 -19.249 1.00 10.00 C ATOM 11 O VAL A 2 6.513 -32.453 -19.450 1.00 10.00 O ATOM 12 CB VAL A 2 6.632 -29.262 -20.303 1.00 10.00 C ATOM 13 CG1 VAL A 2 7.026 -28.226 -21.364 1.00 10.00 C ATOM 14 CG2 VAL A 2 5.145 -29.617 -20.455 1.00 10.00 C ATOM 0 H VAL A 2 6.680 -30.827 -22.239 1.00 10.00 H new ATOM 0 HA VAL A 2 8.577 -30.129 -20.233 1.00 10.00 H new ATOM 0 HB VAL A 2 6.763 -28.839 -19.307 1.00 10.00 H new ATOM 0 HG11 VAL A 2 6.359 -27.367 -21.299 1.00 10.00 H new ATOM 0 HG12 VAL A 2 8.053 -27.902 -21.193 1.00 10.00 H new ATOM 0 HG13 VAL A 2 6.947 -28.672 -22.355 1.00 10.00 H new ATOM 0 HG21 VAL A 2 4.546 -28.708 -20.400 1.00 10.00 H new ATOM 0 HG22 VAL A 2 4.983 -30.100 -21.419 1.00 10.00 H new ATOM 0 HG23 VAL A 2 4.849 -30.295 -19.655 1.00 10.00 H new ATOM 24 N THR A 3 7.820 -31.261 -18.063 1.00 10.00 N ATOM 25 CA THR A 3 7.568 -32.120 -16.916 1.00 10.00 C ATOM 26 C THR A 3 6.098 -32.031 -16.507 1.00 10.00 C ATOM 27 O THR A 3 5.449 -31.004 -16.695 1.00 10.00 O ATOM 28 CB THR A 3 8.484 -31.753 -15.732 1.00 10.00 C ATOM 29 OG1 THR A 3 8.144 -32.535 -14.599 1.00 10.00 O ATOM 30 CG2 THR A 3 8.399 -30.274 -15.329 1.00 10.00 C ATOM 0 H THR A 3 8.455 -30.485 -17.876 1.00 10.00 H new ATOM 0 HA THR A 3 7.793 -33.147 -17.203 1.00 10.00 H new ATOM 0 HB THR A 3 9.502 -31.952 -16.068 1.00 10.00 H new ATOM 0 HG1 THR A 3 8.731 -32.299 -13.850 1.00 10.00 H new ATOM 0 HG21 THR A 3 9.069 -30.086 -14.490 1.00 10.00 H new ATOM 0 HG22 THR A 3 8.691 -29.649 -16.173 1.00 10.00 H new ATOM 0 HG23 THR A 3 7.376 -30.035 -15.037 1.00 10.00 H new ATOM 38 N LYS A 4 5.602 -33.092 -15.869 1.00 10.00 N ATOM 39 CA LYS A 4 4.277 -33.104 -15.274 1.00 10.00 C ATOM 40 C LYS A 4 4.257 -32.092 -14.122 1.00 10.00 C ATOM 41 O LYS A 4 3.210 -31.527 -13.797 1.00 10.00 O ATOM 42 CB LYS A 4 3.971 -34.525 -14.777 1.00 10.00 C ATOM 43 CG LYS A 4 2.577 -34.642 -14.146 1.00 10.00 C ATOM 44 CD LYS A 4 2.328 -36.081 -13.676 1.00 10.00 C ATOM 45 CE LYS A 4 0.941 -36.240 -13.042 1.00 10.00 C ATOM 46 NZ LYS A 4 0.797 -35.435 -11.815 1.00 10.00 N ATOM 0 H LYS A 4 6.114 -33.967 -15.753 1.00 10.00 H new ATOM 0 HA LYS A 4 3.513 -32.824 -16.000 1.00 10.00 H new ATOM 0 HB2 LYS A 4 4.048 -35.222 -15.611 1.00 10.00 H new ATOM 0 HB3 LYS A 4 4.723 -34.820 -14.045 1.00 10.00 H new ATOM 0 HG2 LYS A 4 2.493 -33.956 -13.303 1.00 10.00 H new ATOM 0 HG3 LYS A 4 1.816 -34.351 -14.870 1.00 10.00 H new ATOM 0 HD2 LYS A 4 2.421 -36.761 -14.523 1.00 10.00 H new ATOM 0 HD3 LYS A 4 3.093 -36.365 -12.953 1.00 10.00 H new ATOM 0 HE2 LYS A 4 0.178 -35.943 -13.761 1.00 10.00 H new ATOM 0 HE3 LYS A 4 0.768 -37.290 -12.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -0.092 -35.686 -11.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 1.598 -35.625 -11.179 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 0.784 -34.425 -12.062 1.00 10.00 H new ATOM 60 N GLU A 5 5.414 -31.850 -13.493 1.00 10.00 N ATOM 61 CA GLU A 5 5.522 -30.942 -12.365 1.00 10.00 C ATOM 62 C GLU A 5 5.579 -29.485 -12.823 1.00 10.00 C ATOM 63 O GLU A 5 6.509 -28.756 -12.481 1.00 10.00 O ATOM 64 CB GLU A 5 6.718 -31.320 -11.481 1.00 10.00 C ATOM 65 CG GLU A 5 6.804 -32.823 -11.164 1.00 10.00 C ATOM 66 CD GLU A 5 5.526 -33.360 -10.526 1.00 10.00 C ATOM 67 OE1 GLU A 5 5.421 -33.255 -9.285 1.00 10.00 O ATOM 68 OE2 GLU A 5 4.657 -33.836 -11.291 1.00 10.00 O ATOM 0 H GLU A 5 6.298 -32.284 -13.759 1.00 10.00 H new ATOM 0 HA GLU A 5 4.622 -31.041 -11.758 1.00 10.00 H new ATOM 0 HB2 GLU A 5 7.637 -31.009 -11.977 1.00 10.00 H new ATOM 0 HB3 GLU A 5 6.657 -30.764 -10.546 1.00 10.00 H new ATOM 0 HG2 GLU A 5 7.007 -33.374 -12.083 1.00 10.00 H new ATOM 0 HG3 GLU A 5 7.644 -33.002 -10.493 1.00 10.00 H new ATOM 75 N ILE A 6 4.557 -29.039 -13.558 1.00 10.00 N ATOM 76 CA ILE A 6 4.453 -27.643 -13.979 1.00 10.00 C ATOM 77 C ILE A 6 4.249 -26.716 -12.784 1.00 10.00 C ATOM 78 O ILE A 6 4.444 -25.507 -12.883 1.00 10.00 O ATOM 79 CB ILE A 6 3.352 -27.447 -15.032 1.00 10.00 C ATOM 80 CG1 ILE A 6 1.970 -27.916 -14.537 1.00 10.00 C ATOM 81 CG2 ILE A 6 3.782 -28.166 -16.309 1.00 10.00 C ATOM 82 CD1 ILE A 6 0.857 -27.588 -15.535 1.00 10.00 C ATOM 0 H ILE A 6 3.787 -29.629 -13.874 1.00 10.00 H new ATOM 0 HA ILE A 6 5.400 -27.376 -14.448 1.00 10.00 H new ATOM 0 HB ILE A 6 3.232 -26.382 -15.233 1.00 10.00 H new ATOM 0 HG12 ILE A 6 1.994 -28.992 -14.363 1.00 10.00 H new ATOM 0 HG13 ILE A 6 1.749 -27.443 -13.580 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.015 -28.041 -17.073 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.721 -27.744 -16.666 1.00 10.00 H new ATOM 0 HG23 ILE A 6 3.917 -29.227 -16.101 1.00 10.00 H new ATOM 0 HD11 ILE A 6 -0.098 -27.937 -15.143 1.00 10.00 H new ATOM 0 HD12 ILE A 6 0.813 -26.510 -15.690 1.00 10.00 H new ATOM 0 HD13 ILE A 6 1.062 -28.083 -16.484 1.00 10.00 H new ATOM 94 N ARG A 7 3.883 -27.292 -11.641 1.00 10.00 N ATOM 95 CA ARG A 7 3.664 -26.623 -10.373 1.00 10.00 C ATOM 96 C ARG A 7 5.023 -26.293 -9.746 1.00 10.00 C ATOM 97 O ARG A 7 5.286 -26.643 -8.597 1.00 10.00 O ATOM 98 CB ARG A 7 2.825 -27.558 -9.485 1.00 10.00 C ATOM 99 CG ARG A 7 1.502 -27.930 -10.177 1.00 10.00 C ATOM 100 CD ARG A 7 0.753 -29.070 -9.473 1.00 10.00 C ATOM 101 NE ARG A 7 1.551 -30.303 -9.383 1.00 10.00 N ATOM 102 CZ ARG A 7 1.966 -31.065 -10.409 1.00 10.00 C ATOM 103 NH1 ARG A 7 1.636 -30.771 -11.671 1.00 10.00 N ATOM 104 NH2 ARG A 7 2.731 -32.129 -10.152 1.00 10.00 N ATOM 0 H ARG A 7 3.724 -28.297 -11.578 1.00 10.00 H new ATOM 0 HA ARG A 7 3.123 -25.685 -10.496 1.00 10.00 H new ATOM 0 HB2 ARG A 7 3.392 -28.463 -9.265 1.00 10.00 H new ATOM 0 HB3 ARG A 7 2.617 -27.072 -8.532 1.00 10.00 H new ATOM 0 HG2 ARG A 7 0.859 -27.050 -10.215 1.00 10.00 H new ATOM 0 HG3 ARG A 7 1.707 -28.220 -11.207 1.00 10.00 H new ATOM 0 HD2 ARG A 7 0.472 -28.750 -8.470 1.00 10.00 H new ATOM 0 HD3 ARG A 7 -0.171 -29.279 -10.011 1.00 10.00 H new ATOM 0 HE ARG A 7 1.816 -30.610 -8.447 1.00 10.00 H new ATOM 0 HH11 ARG A 7 1.058 -29.954 -11.870 1.00 10.00 H new ATOM 0 HH12 ARG A 7 1.962 -31.363 -12.435 1.00 10.00 H new ATOM 0 HH21 ARG A 7 2.990 -32.351 -9.191 1.00 10.00 H new ATOM 0 HH22 ARG A 7 3.056 -32.720 -10.917 1.00 10.00 H new ATOM 118 N ILE A 8 5.900 -25.640 -10.515 1.00 10.00 N ATOM 119 CA ILE A 8 7.234 -25.271 -10.062 1.00 10.00 C ATOM 120 C ILE A 8 7.146 -24.440 -8.769 1.00 10.00 C ATOM 121 O ILE A 8 6.271 -23.582 -8.653 1.00 10.00 O ATOM 122 CB ILE A 8 8.022 -24.574 -11.187 1.00 10.00 C ATOM 123 CG1 ILE A 8 7.277 -23.347 -11.740 1.00 10.00 C ATOM 124 CG2 ILE A 8 8.318 -25.583 -12.308 1.00 10.00 C ATOM 125 CD1 ILE A 8 8.123 -22.533 -12.723 1.00 10.00 C ATOM 0 H ILE A 8 5.698 -25.354 -11.473 1.00 10.00 H new ATOM 0 HA ILE A 8 7.797 -26.172 -9.816 1.00 10.00 H new ATOM 0 HB ILE A 8 8.960 -24.210 -10.768 1.00 10.00 H new ATOM 0 HG12 ILE A 8 6.365 -23.675 -12.238 1.00 10.00 H new ATOM 0 HG13 ILE A 8 6.975 -22.707 -10.911 1.00 10.00 H new ATOM 0 HG21 ILE A 8 8.876 -25.089 -13.104 1.00 10.00 H new ATOM 0 HG22 ILE A 8 8.909 -26.408 -11.909 1.00 10.00 H new ATOM 0 HG23 ILE A 8 7.380 -25.969 -12.707 1.00 10.00 H new ATOM 0 HD11 ILE A 8 7.546 -21.680 -13.080 1.00 10.00 H new ATOM 0 HD12 ILE A 8 9.023 -22.178 -12.221 1.00 10.00 H new ATOM 0 HD13 ILE A 8 8.403 -23.161 -13.569 1.00 10.00 H new ATOM 137 N PRO A 9 8.019 -24.684 -7.776 1.00 10.00 N ATOM 138 CA PRO A 9 7.969 -24.012 -6.483 1.00 10.00 C ATOM 139 C PRO A 9 8.489 -22.568 -6.540 1.00 10.00 C ATOM 140 O PRO A 9 9.320 -22.162 -5.723 1.00 10.00 O ATOM 141 CB PRO A 9 8.798 -24.910 -5.555 1.00 10.00 C ATOM 142 CG PRO A 9 9.867 -25.458 -6.498 1.00 10.00 C ATOM 143 CD PRO A 9 9.081 -25.677 -7.790 1.00 10.00 C ATOM 0 HA PRO A 9 6.946 -23.893 -6.125 1.00 10.00 H new ATOM 0 HB2 PRO A 9 9.234 -24.348 -4.729 1.00 10.00 H new ATOM 0 HB3 PRO A 9 8.197 -25.706 -5.116 1.00 10.00 H new ATOM 0 HG2 PRO A 9 10.687 -24.754 -6.636 1.00 10.00 H new ATOM 0 HG3 PRO A 9 10.302 -26.385 -6.125 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.721 -25.554 -8.664 1.00 10.00 H new ATOM 0 HD3 PRO A 9 8.673 -26.687 -7.834 1.00 10.00 H new ATOM 151 N THR A 10 7.980 -21.750 -7.464 1.00 10.00 N ATOM 152 CA THR A 10 8.359 -20.346 -7.571 1.00 10.00 C ATOM 153 C THR A 10 7.554 -19.560 -6.526 1.00 10.00 C ATOM 154 O THR A 10 6.864 -18.599 -6.855 1.00 10.00 O ATOM 155 CB THR A 10 8.074 -19.892 -9.014 1.00 10.00 C ATOM 156 OG1 THR A 10 8.590 -20.863 -9.902 1.00 10.00 O ATOM 157 CG2 THR A 10 8.711 -18.544 -9.367 1.00 10.00 C ATOM 0 H THR A 10 7.293 -22.046 -8.158 1.00 10.00 H new ATOM 0 HA THR A 10 9.417 -20.176 -7.371 1.00 10.00 H new ATOM 0 HB THR A 10 6.994 -19.778 -9.102 1.00 10.00 H new ATOM 0 HG1 THR A 10 8.414 -20.588 -10.826 1.00 10.00 H new ATOM 0 HG21 THR A 10 8.469 -18.286 -10.398 1.00 10.00 H new ATOM 0 HG22 THR A 10 8.325 -17.773 -8.700 1.00 10.00 H new ATOM 0 HG23 THR A 10 9.793 -18.612 -9.254 1.00 10.00 H new ATOM 165 N LEU A 11 7.657 -19.959 -5.254 1.00 10.00 N ATOM 166 CA LEU A 11 6.928 -19.391 -4.133 1.00 10.00 C ATOM 167 C LEU A 11 7.869 -19.301 -2.932 1.00 10.00 C ATOM 168 O LEU A 11 8.614 -20.246 -2.664 1.00 10.00 O ATOM 169 CB LEU A 11 5.735 -20.295 -3.777 1.00 10.00 C ATOM 170 CG LEU A 11 4.713 -20.547 -4.903 1.00 10.00 C ATOM 171 CD1 LEU A 11 3.681 -21.575 -4.431 1.00 10.00 C ATOM 172 CD2 LEU A 11 3.949 -19.286 -5.314 1.00 10.00 C ATOM 0 H LEU A 11 8.278 -20.718 -4.974 1.00 10.00 H new ATOM 0 HA LEU A 11 6.559 -18.400 -4.398 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.122 -21.258 -3.444 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.210 -19.852 -2.931 1.00 10.00 H new ATOM 0 HG LEU A 11 5.282 -20.900 -5.763 1.00 10.00 H new ATOM 0 HD11 LEU A 11 2.957 -21.755 -5.226 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.185 -22.509 -4.181 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.165 -21.194 -3.550 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.246 -19.530 -6.110 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.404 -18.895 -4.455 1.00 10.00 H new ATOM 0 HD23 LEU A 11 4.653 -18.534 -5.670 1.00 10.00 H new ATOM 184 N GLU A 12 7.820 -18.180 -2.211 1.00 10.00 N ATOM 185 CA GLU A 12 8.597 -17.892 -1.018 1.00 10.00 C ATOM 186 C GLU A 12 7.643 -17.920 0.174 1.00 10.00 C ATOM 187 O GLU A 12 6.605 -17.255 0.144 1.00 10.00 O ATOM 188 CB GLU A 12 9.246 -16.505 -1.131 1.00 10.00 C ATOM 189 CG GLU A 12 9.879 -16.256 -2.504 1.00 10.00 C ATOM 190 CD GLU A 12 10.674 -14.958 -2.530 1.00 10.00 C ATOM 191 OE1 GLU A 12 10.025 -13.897 -2.654 1.00 10.00 O ATOM 192 OE2 GLU A 12 11.915 -15.052 -2.423 1.00 10.00 O ATOM 0 H GLU A 12 7.201 -17.410 -2.463 1.00 10.00 H new ATOM 0 HA GLU A 12 9.389 -18.630 -0.895 1.00 10.00 H new ATOM 0 HB2 GLU A 12 8.494 -15.740 -0.939 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.009 -16.402 -0.360 1.00 10.00 H new ATOM 0 HG2 GLU A 12 10.534 -17.089 -2.759 1.00 10.00 H new ATOM 0 HG3 GLU A 12 9.098 -16.220 -3.264 1.00 10.00 H new ATOM 199 N GLU A 13 7.988 -18.683 1.214 1.00 10.00 N ATOM 200 CA GLU A 13 7.189 -18.803 2.424 1.00 10.00 C ATOM 201 C GLU A 13 7.034 -17.429 3.083 1.00 10.00 C ATOM 202 O GLU A 13 8.029 -16.746 3.327 1.00 10.00 O ATOM 203 CB GLU A 13 7.877 -19.790 3.378 1.00 10.00 C ATOM 204 CG GLU A 13 6.991 -20.102 4.588 1.00 10.00 C ATOM 205 CD GLU A 13 7.696 -21.010 5.589 1.00 10.00 C ATOM 206 OE1 GLU A 13 7.984 -22.163 5.204 1.00 10.00 O ATOM 207 OE2 GLU A 13 7.935 -20.529 6.719 1.00 10.00 O ATOM 0 H GLU A 13 8.842 -19.240 1.234 1.00 10.00 H new ATOM 0 HA GLU A 13 6.195 -19.177 2.180 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.108 -20.713 2.846 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.825 -19.372 3.717 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.707 -19.172 5.079 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.071 -20.579 4.251 1.00 10.00 H new ATOM 214 N CYS A 14 5.802 -17.024 3.403 1.00 10.00 N ATOM 215 CA CYS A 14 5.581 -15.749 4.059 1.00 10.00 C ATOM 216 C CYS A 14 5.887 -15.896 5.552 1.00 10.00 C ATOM 217 O CYS A 14 5.001 -16.196 6.359 1.00 10.00 O ATOM 218 CB CYS A 14 4.158 -15.253 3.821 1.00 10.00 C ATOM 219 SG CYS A 14 3.901 -13.549 4.386 1.00 10.00 S ATOM 0 H CYS A 14 4.955 -17.561 3.217 1.00 10.00 H new ATOM 0 HA CYS A 14 6.250 -15.000 3.636 1.00 10.00 H new ATOM 0 HB2 CYS A 14 3.930 -15.316 2.757 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.458 -15.911 4.337 1.00 10.00 H new ATOM 224 N ASP A 15 7.150 -15.670 5.918 1.00 10.00 N ATOM 225 CA ASP A 15 7.650 -15.728 7.291 1.00 10.00 C ATOM 226 C ASP A 15 6.764 -14.918 8.244 1.00 10.00 C ATOM 227 O ASP A 15 6.546 -15.320 9.388 1.00 10.00 O ATOM 228 CB ASP A 15 9.104 -15.239 7.346 1.00 10.00 C ATOM 229 CG ASP A 15 9.229 -13.732 7.124 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.734 -13.268 6.073 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.792 -13.068 8.020 1.00 10.00 O ATOM 0 H ASP A 15 7.877 -15.434 5.243 1.00 10.00 H new ATOM 0 HA ASP A 15 7.618 -16.767 7.620 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.533 -15.496 8.315 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.688 -15.763 6.589 1.00 10.00 H new ATOM 236 N VAL A 16 6.237 -13.789 7.756 1.00 10.00 N ATOM 237 CA VAL A 16 5.347 -12.901 8.492 1.00 10.00 C ATOM 238 C VAL A 16 4.208 -13.701 9.139 1.00 10.00 C ATOM 239 O VAL A 16 3.963 -13.558 10.333 1.00 10.00 O ATOM 240 CB VAL A 16 4.828 -11.787 7.562 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.949 -10.794 8.324 1.00 10.00 C ATOM 242 CG2 VAL A 16 5.981 -11.006 6.912 1.00 10.00 C ATOM 0 H VAL A 16 6.428 -13.463 6.808 1.00 10.00 H new ATOM 0 HA VAL A 16 5.898 -12.421 9.301 1.00 10.00 H new ATOM 0 HB VAL A 16 4.243 -12.283 6.787 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.598 -10.020 7.641 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.093 -11.318 8.749 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.529 -10.335 9.125 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.575 -10.230 6.264 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.593 -10.547 7.689 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.595 -11.687 6.322 1.00 10.00 H new ATOM 252 N CYS A 17 3.549 -14.581 8.376 1.00 10.00 N ATOM 253 CA CYS A 17 2.497 -15.459 8.894 1.00 10.00 C ATOM 254 C CYS A 17 3.016 -16.881 9.084 1.00 10.00 C ATOM 255 O CYS A 17 2.251 -17.847 9.101 1.00 10.00 O ATOM 256 CB CYS A 17 1.273 -15.430 7.988 1.00 10.00 C ATOM 257 SG CYS A 17 1.572 -15.786 6.259 1.00 10.00 S ATOM 0 H CYS A 17 3.732 -14.703 7.380 1.00 10.00 H new ATOM 0 HA CYS A 17 2.194 -15.086 9.873 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.547 -16.149 8.367 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.813 -14.444 8.062 1.00 10.00 H new ATOM 262 N HIS A 18 4.332 -17.008 9.239 1.00 10.00 N ATOM 263 CA HIS A 18 5.023 -18.245 9.533 1.00 10.00 C ATOM 264 C HIS A 18 4.646 -19.327 8.518 1.00 10.00 C ATOM 265 O HIS A 18 4.494 -20.496 8.860 1.00 10.00 O ATOM 266 CB HIS A 18 4.730 -18.618 10.998 1.00 10.00 C ATOM 267 CG HIS A 18 4.652 -17.428 11.940 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.351 -16.242 11.821 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.688 -17.233 12.895 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.825 -15.370 12.698 1.00 10.00 C ATOM 271 NE2 HIS A 18 3.805 -15.923 13.377 1.00 10.00 N ATOM 0 H HIS A 18 4.966 -16.213 9.158 1.00 10.00 H new ATOM 0 HA HIS A 18 6.103 -18.134 9.432 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.787 -19.163 11.041 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.507 -19.296 11.351 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.126 -16.061 11.183 1.00 10.00 H new ATOM 0 HD2 HIS A 18 2.963 -17.964 13.220 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.176 -14.358 12.839 1.00 10.00 H new ATOM 279 N GLY A 19 4.474 -18.918 7.256 1.00 10.00 N ATOM 280 CA GLY A 19 4.122 -19.817 6.171 1.00 10.00 C ATOM 281 C GLY A 19 2.685 -20.342 6.203 1.00 10.00 C ATOM 282 O GLY A 19 2.325 -21.127 5.326 1.00 10.00 O ATOM 0 H GLY A 19 4.578 -17.946 6.965 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.282 -19.300 5.225 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.804 -20.667 6.189 1.00 10.00 H new ATOM 286 N SER A 20 1.851 -19.939 7.172 1.00 10.00 N ATOM 287 CA SER A 20 0.482 -20.435 7.230 1.00 10.00 C ATOM 288 C SER A 20 -0.412 -19.602 6.319 1.00 10.00 C ATOM 289 O SER A 20 -0.913 -20.083 5.309 1.00 10.00 O ATOM 290 CB SER A 20 -0.052 -20.446 8.669 1.00 10.00 C ATOM 291 OG SER A 20 -0.119 -19.148 9.243 1.00 10.00 O ATOM 0 H SER A 20 2.101 -19.282 7.911 1.00 10.00 H new ATOM 0 HA SER A 20 0.476 -21.467 6.878 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.046 -20.894 8.679 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.589 -21.077 9.284 1.00 10.00 H new ATOM 0 HG SER A 20 0.727 -18.678 9.088 1.00 10.00 H new ATOM 297 N GLY A 21 -0.630 -18.355 6.730 1.00 10.00 N ATOM 298 CA GLY A 21 -1.510 -17.387 6.102 1.00 10.00 C ATOM 299 C GLY A 21 -2.119 -16.468 7.163 1.00 10.00 C ATOM 300 O GLY A 21 -2.501 -15.343 6.848 1.00 10.00 O ATOM 0 H GLY A 21 -0.169 -17.977 7.557 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.954 -16.797 5.374 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.301 -17.902 5.558 1.00 10.00 H new ATOM 304 N ALA A 22 -2.213 -16.935 8.414 1.00 10.00 N ATOM 305 CA ALA A 22 -2.790 -16.179 9.517 1.00 10.00 C ATOM 306 C ALA A 22 -1.835 -15.088 9.993 1.00 10.00 C ATOM 307 O ALA A 22 -0.653 -15.353 10.191 1.00 10.00 O ATOM 308 CB ALA A 22 -3.138 -17.149 10.647 1.00 10.00 C ATOM 0 H ALA A 22 -1.884 -17.862 8.685 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.698 -15.678 9.182 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.571 -16.596 11.480 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.857 -17.885 10.286 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.234 -17.658 10.981 1.00 10.00 H new ATOM 314 N LYS A 23 -2.336 -13.858 10.157 1.00 10.00 N ATOM 315 CA LYS A 23 -1.518 -12.727 10.599 1.00 10.00 C ATOM 316 C LYS A 23 -0.654 -13.091 11.830 1.00 10.00 C ATOM 317 O LYS A 23 -1.120 -13.851 12.679 1.00 10.00 O ATOM 318 CB LYS A 23 -2.398 -11.486 10.814 1.00 10.00 C ATOM 319 CG LYS A 23 -3.590 -11.759 11.738 1.00 10.00 C ATOM 320 CD LYS A 23 -4.340 -10.499 12.194 1.00 10.00 C ATOM 321 CE LYS A 23 -5.014 -9.731 11.048 1.00 10.00 C ATOM 322 NZ LYS A 23 -4.088 -8.803 10.371 1.00 10.00 N ATOM 0 H LYS A 23 -3.314 -13.621 9.988 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.806 -12.479 9.812 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.792 -10.685 11.237 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.764 -11.134 9.850 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.290 -12.417 11.223 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -3.236 -12.295 12.619 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.098 -10.783 12.924 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.641 -9.835 12.702 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -5.408 -10.441 10.321 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -5.863 -9.171 11.440 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.564 -7.893 10.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.249 -8.654 10.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.797 -9.207 9.458 1.00 10.00 H new ATOM 336 N PRO A 24 0.588 -12.571 11.918 1.00 10.00 N ATOM 337 CA PRO A 24 1.590 -12.844 12.941 1.00 10.00 C ATOM 338 C PRO A 24 1.089 -13.375 14.285 1.00 10.00 C ATOM 339 O PRO A 24 0.219 -12.767 14.909 1.00 10.00 O ATOM 340 CB PRO A 24 2.346 -11.529 13.094 1.00 10.00 C ATOM 341 CG PRO A 24 2.388 -11.002 11.658 1.00 10.00 C ATOM 342 CD PRO A 24 1.159 -11.619 10.975 1.00 10.00 C ATOM 0 HA PRO A 24 2.207 -13.680 12.611 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.831 -10.840 13.764 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.346 -11.681 13.500 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.347 -9.913 11.635 1.00 10.00 H new ATOM 0 HG3 PRO A 24 3.309 -11.297 11.156 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.433 -10.848 10.716 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.441 -12.116 10.047 1.00 10.00 H new ATOM 350 N GLY A 25 1.643 -14.506 14.743 1.00 10.00 N ATOM 351 CA GLY A 25 1.296 -15.122 16.019 1.00 10.00 C ATOM 352 C GLY A 25 -0.046 -15.854 15.979 1.00 10.00 C ATOM 353 O GLY A 25 -0.153 -16.991 16.435 1.00 10.00 O ATOM 0 H GLY A 25 2.355 -15.022 14.225 1.00 10.00 H new ATOM 0 HA2 GLY A 25 2.079 -15.825 16.303 1.00 10.00 H new ATOM 0 HA3 GLY A 25 1.262 -14.353 16.791 1.00 10.00 H new ATOM 357 N THR A 26 -1.076 -15.196 15.451 1.00 10.00 N ATOM 358 CA THR A 26 -2.432 -15.705 15.349 1.00 10.00 C ATOM 359 C THR A 26 -2.436 -17.011 14.552 1.00 10.00 C ATOM 360 O THR A 26 -1.882 -17.071 13.457 1.00 10.00 O ATOM 361 CB THR A 26 -3.298 -14.644 14.645 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.766 -13.349 14.852 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.743 -14.671 15.144 1.00 10.00 C ATOM 0 H THR A 26 -0.979 -14.255 15.068 1.00 10.00 H new ATOM 0 HA THR A 26 -2.835 -15.908 16.341 1.00 10.00 H new ATOM 0 HB THR A 26 -3.290 -14.882 13.581 1.00 10.00 H new ATOM 0 HG1 THR A 26 -2.107 -13.151 14.155 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.322 -13.908 14.624 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.177 -15.652 14.949 1.00 10.00 H new ATOM 0 HG23 THR A 26 -4.762 -14.472 16.216 1.00 10.00 H new ATOM 371 N GLN A 27 -3.051 -18.065 15.093 1.00 10.00 N ATOM 372 CA GLN A 27 -3.098 -19.353 14.416 1.00 10.00 C ATOM 373 C GLN A 27 -4.244 -19.410 13.394 1.00 10.00 C ATOM 374 O GLN A 27 -5.272 -18.757 13.597 1.00 10.00 O ATOM 375 CB GLN A 27 -3.243 -20.490 15.439 1.00 10.00 C ATOM 376 CG GLN A 27 -4.480 -20.355 16.344 1.00 10.00 C ATOM 377 CD GLN A 27 -4.971 -21.718 16.816 1.00 10.00 C ATOM 378 OE1 GLN A 27 -4.743 -22.109 17.955 1.00 10.00 O ATOM 379 NE2 GLN A 27 -5.655 -22.453 15.943 1.00 10.00 N ATOM 0 H GLN A 27 -3.522 -18.047 15.998 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.160 -19.478 13.875 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.295 -21.440 14.908 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.350 -20.522 16.063 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -4.236 -19.735 17.207 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.277 -19.847 15.801 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -5.828 -22.098 15.002 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -6.007 -23.371 16.214 1.00 10.00 H new ATOM 388 N PRO A 28 -4.123 -20.222 12.328 1.00 10.00 N ATOM 389 CA PRO A 28 -5.223 -20.454 11.405 1.00 10.00 C ATOM 390 C PRO A 28 -6.344 -21.196 12.143 1.00 10.00 C ATOM 391 O PRO A 28 -6.211 -21.533 13.322 1.00 10.00 O ATOM 392 CB PRO A 28 -4.659 -21.336 10.290 1.00 10.00 C ATOM 393 CG PRO A 28 -3.148 -21.202 10.433 1.00 10.00 C ATOM 394 CD PRO A 28 -2.986 -21.039 11.938 1.00 10.00 C ATOM 0 HA PRO A 28 -5.629 -19.525 11.006 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -4.979 -22.372 10.402 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.997 -21.002 9.309 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -2.623 -22.081 10.059 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.761 -20.343 9.885 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.994 -22.003 12.447 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.042 -20.554 12.188 1.00 10.00 H new ATOM 402 N GLN A 29 -7.443 -21.478 11.444 1.00 10.00 N ATOM 403 CA GLN A 29 -8.587 -22.179 12.005 1.00 10.00 C ATOM 404 C GLN A 29 -8.828 -23.447 11.180 1.00 10.00 C ATOM 405 O GLN A 29 -8.816 -23.385 9.957 1.00 10.00 O ATOM 406 CB GLN A 29 -9.787 -21.225 12.012 1.00 10.00 C ATOM 407 CG GLN A 29 -9.462 -19.911 12.751 1.00 10.00 C ATOM 408 CD GLN A 29 -8.836 -18.834 11.856 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.413 -18.472 10.835 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.665 -18.299 12.198 1.00 10.00 N ATOM 0 H GLN A 29 -7.561 -21.222 10.464 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.415 -22.489 13.036 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.082 -21.003 10.987 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.637 -21.712 12.490 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.378 -19.517 13.191 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -8.781 -20.127 13.574 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.193 -18.606 13.048 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.240 -17.582 11.610 1.00 10.00 H new ATOM 419 N THR A 30 -9.001 -24.605 11.818 1.00 10.00 N ATOM 420 CA THR A 30 -9.190 -25.886 11.148 1.00 10.00 C ATOM 421 C THR A 30 -10.286 -25.821 10.079 1.00 10.00 C ATOM 422 O THR A 30 -11.413 -25.451 10.398 1.00 10.00 O ATOM 423 CB THR A 30 -9.575 -26.908 12.226 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.786 -26.676 13.379 1.00 10.00 O ATOM 425 CG2 THR A 30 -9.373 -28.345 11.742 1.00 10.00 C ATOM 0 H THR A 30 -9.013 -24.677 12.835 1.00 10.00 H new ATOM 0 HA THR A 30 -8.269 -26.167 10.637 1.00 10.00 H new ATOM 0 HB THR A 30 -10.633 -26.785 12.457 1.00 10.00 H new ATOM 0 HG1 THR A 30 -9.026 -27.323 14.075 1.00 10.00 H new ATOM 0 HG21 THR A 30 -9.657 -29.039 12.533 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.993 -28.524 10.864 1.00 10.00 H new ATOM 0 HG23 THR A 30 -8.325 -28.498 11.484 1.00 10.00 H new ATOM 433 N CYS A 31 -9.994 -26.202 8.829 1.00 10.00 N ATOM 434 CA CYS A 31 -11.020 -26.222 7.795 1.00 10.00 C ATOM 435 C CYS A 31 -11.966 -27.396 8.068 1.00 10.00 C ATOM 436 O CYS A 31 -11.518 -28.541 8.005 1.00 10.00 O ATOM 437 CB CYS A 31 -10.389 -26.369 6.407 1.00 10.00 C ATOM 438 SG CYS A 31 -11.591 -26.235 5.061 1.00 10.00 S ATOM 0 H CYS A 31 -9.068 -26.495 8.518 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.572 -25.283 7.815 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.624 -25.603 6.280 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.888 -27.335 6.343 1.00 10.00 H new ATOM 443 N PRO A 32 -13.257 -27.173 8.360 1.00 10.00 N ATOM 444 CA PRO A 32 -14.166 -28.268 8.652 1.00 10.00 C ATOM 445 C PRO A 32 -14.439 -29.091 7.392 1.00 10.00 C ATOM 446 O PRO A 32 -14.508 -30.317 7.464 1.00 10.00 O ATOM 447 CB PRO A 32 -15.419 -27.606 9.226 1.00 10.00 C ATOM 448 CG PRO A 32 -15.434 -26.229 8.562 1.00 10.00 C ATOM 449 CD PRO A 32 -13.947 -25.893 8.436 1.00 10.00 C ATOM 0 HA PRO A 32 -13.756 -28.982 9.367 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.318 -28.175 8.989 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.369 -27.527 10.312 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.926 -26.255 7.590 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.964 -25.494 9.168 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.756 -25.292 7.547 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.603 -25.313 9.293 1.00 10.00 H new ATOM 457 N THR A 33 -14.571 -28.423 6.241 1.00 10.00 N ATOM 458 CA THR A 33 -14.846 -29.003 4.934 1.00 10.00 C ATOM 459 C THR A 33 -13.993 -30.241 4.635 1.00 10.00 C ATOM 460 O THR A 33 -14.494 -31.206 4.065 1.00 10.00 O ATOM 461 CB THR A 33 -14.630 -27.905 3.883 1.00 10.00 C ATOM 462 OG1 THR A 33 -14.994 -26.651 4.437 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.439 -28.157 2.608 1.00 10.00 C ATOM 0 H THR A 33 -14.483 -27.408 6.201 1.00 10.00 H new ATOM 0 HA THR A 33 -15.876 -29.359 4.913 1.00 10.00 H new ATOM 0 HB THR A 33 -13.576 -27.910 3.607 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.188 -26.177 4.730 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.253 -27.354 1.895 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.139 -29.109 2.169 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.501 -28.188 2.851 1.00 10.00 H new ATOM 471 N CYS A 34 -12.715 -30.214 5.028 1.00 10.00 N ATOM 472 CA CYS A 34 -11.791 -31.332 4.860 1.00 10.00 C ATOM 473 C CYS A 34 -11.197 -31.749 6.209 1.00 10.00 C ATOM 474 O CYS A 34 -10.069 -32.231 6.268 1.00 10.00 O ATOM 475 CB CYS A 34 -10.717 -30.989 3.821 1.00 10.00 C ATOM 476 SG CYS A 34 -9.859 -29.410 4.040 1.00 10.00 S ATOM 0 H CYS A 34 -12.291 -29.402 5.477 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.338 -32.194 4.478 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.973 -31.785 3.824 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.182 -30.991 2.835 1.00 10.00 H new ATOM 481 N HIS A 35 -11.957 -31.575 7.294 1.00 10.00 N ATOM 482 CA HIS A 35 -11.589 -31.963 8.654 1.00 10.00 C ATOM 483 C HIS A 35 -10.114 -31.689 8.985 1.00 10.00 C ATOM 484 O HIS A 35 -9.417 -32.546 9.522 1.00 10.00 O ATOM 485 CB HIS A 35 -11.952 -33.440 8.883 1.00 10.00 C ATOM 486 CG HIS A 35 -13.389 -33.819 8.607 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.442 -32.971 8.335 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.882 -35.098 8.587 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.536 -33.728 8.148 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.246 -35.030 8.294 1.00 10.00 N ATOM 0 H HIS A 35 -12.880 -31.143 7.245 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.161 -31.338 9.340 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.308 -34.054 8.254 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.722 -33.694 9.918 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.398 -31.953 8.285 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.315 -36.000 8.766 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.516 -33.341 7.912 1.00 10.00 H new ATOM 498 N GLY A 36 -9.632 -30.485 8.673 1.00 10.00 N ATOM 499 CA GLY A 36 -8.274 -30.062 8.980 1.00 10.00 C ATOM 500 C GLY A 36 -7.166 -30.651 8.103 1.00 10.00 C ATOM 501 O GLY A 36 -6.013 -30.272 8.288 1.00 10.00 O ATOM 0 H GLY A 36 -10.183 -29.772 8.195 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.229 -28.976 8.905 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.062 -30.319 10.018 1.00 10.00 H new ATOM 505 N SER A 37 -7.461 -31.568 7.173 1.00 10.00 N ATOM 506 CA SER A 37 -6.423 -32.193 6.355 1.00 10.00 C ATOM 507 C SER A 37 -6.059 -31.336 5.140 1.00 10.00 C ATOM 508 O SER A 37 -4.958 -30.796 5.076 1.00 10.00 O ATOM 509 CB SER A 37 -6.828 -33.618 5.966 1.00 10.00 C ATOM 510 OG SER A 37 -8.050 -33.626 5.261 1.00 10.00 O ATOM 0 H SER A 37 -8.407 -31.890 6.971 1.00 10.00 H new ATOM 0 HA SER A 37 -5.516 -32.263 6.956 1.00 10.00 H new ATOM 0 HB2 SER A 37 -6.047 -34.066 5.351 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.918 -34.231 6.863 1.00 10.00 H new ATOM 0 HG SER A 37 -8.785 -33.426 5.878 1.00 10.00 H new ATOM 516 N GLY A 38 -6.977 -31.213 4.175 1.00 10.00 N ATOM 517 CA GLY A 38 -6.738 -30.424 2.968 1.00 10.00 C ATOM 518 C GLY A 38 -7.463 -30.886 1.702 1.00 10.00 C ATOM 519 O GLY A 38 -7.369 -30.192 0.691 1.00 10.00 O ATOM 0 H GLY A 38 -7.896 -31.654 4.210 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.027 -29.393 3.171 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.667 -30.422 2.767 1.00 10.00 H new ATOM 523 N GLN A 39 -8.181 -32.017 1.705 1.00 10.00 N ATOM 524 CA GLN A 39 -8.850 -32.520 0.504 1.00 10.00 C ATOM 525 C GLN A 39 -10.286 -32.974 0.781 1.00 10.00 C ATOM 526 O GLN A 39 -10.578 -33.536 1.835 1.00 10.00 O ATOM 527 CB GLN A 39 -7.987 -33.591 -0.190 1.00 10.00 C ATOM 528 CG GLN A 39 -7.920 -34.974 0.474 1.00 10.00 C ATOM 529 CD GLN A 39 -7.446 -34.934 1.920 1.00 10.00 C ATOM 530 OE1 GLN A 39 -6.256 -35.010 2.204 1.00 10.00 O ATOM 531 NE2 GLN A 39 -8.382 -34.785 2.849 1.00 10.00 N ATOM 0 H GLN A 39 -8.312 -32.601 2.531 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.951 -31.693 -0.199 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.361 -33.721 -1.205 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.971 -33.206 -0.272 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -8.908 -35.434 0.437 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.250 -35.612 -0.102 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.364 -34.725 2.579 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -8.120 -34.730 3.833 1.00 10.00 H new ATOM 540 N VAL A 40 -11.172 -32.732 -0.183 1.00 10.00 N ATOM 541 CA VAL A 40 -12.580 -33.091 -0.148 1.00 10.00 C ATOM 542 C VAL A 40 -12.763 -34.375 -0.950 1.00 10.00 C ATOM 543 O VAL A 40 -12.292 -34.461 -2.084 1.00 10.00 O ATOM 544 CB VAL A 40 -13.431 -31.961 -0.752 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.556 -30.797 0.233 1.00 10.00 C ATOM 546 CG2 VAL A 40 -12.865 -31.444 -2.082 1.00 10.00 C ATOM 0 H VAL A 40 -10.911 -32.258 -1.048 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.903 -33.244 0.882 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.415 -32.386 -0.951 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.161 -30.007 -0.212 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.031 -31.146 1.150 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.564 -30.408 0.464 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -13.504 -30.648 -2.464 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -11.858 -31.057 -1.923 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -12.830 -32.260 -2.804 1.00 10.00 H new ATOM 556 N GLN A 41 -13.445 -35.366 -0.377 1.00 10.00 N ATOM 557 CA GLN A 41 -13.692 -36.639 -1.031 1.00 10.00 C ATOM 558 C GLN A 41 -15.129 -36.688 -1.535 1.00 10.00 C ATOM 559 O GLN A 41 -16.071 -36.852 -0.760 1.00 10.00 O ATOM 560 CB GLN A 41 -13.317 -37.772 -0.083 1.00 10.00 C ATOM 561 CG GLN A 41 -13.415 -39.155 -0.747 1.00 10.00 C ATOM 562 CD GLN A 41 -12.867 -40.240 0.170 1.00 10.00 C ATOM 563 OE1 GLN A 41 -13.624 -41.006 0.760 1.00 10.00 O ATOM 564 NE2 GLN A 41 -11.546 -40.321 0.300 1.00 10.00 N ATOM 0 H GLN A 41 -13.842 -35.302 0.560 1.00 10.00 H new ATOM 0 HA GLN A 41 -13.064 -36.759 -1.914 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -12.300 -37.617 0.278 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -13.972 -37.744 0.788 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -14.455 -39.372 -0.992 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -12.860 -39.152 -1.685 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -10.943 -39.670 -0.203 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -11.136 -41.034 0.903 1.00 10.00 H new ATOM 573 N MET A 42 -15.289 -36.566 -2.852 1.00 10.00 N ATOM 574 CA MET A 42 -16.570 -36.629 -3.529 1.00 10.00 C ATOM 575 C MET A 42 -16.973 -38.104 -3.613 1.00 10.00 C ATOM 576 O MET A 42 -16.887 -38.725 -4.673 1.00 10.00 O ATOM 577 CB MET A 42 -16.426 -35.943 -4.895 1.00 10.00 C ATOM 578 CG MET A 42 -17.761 -35.664 -5.592 1.00 10.00 C ATOM 579 SD MET A 42 -18.992 -34.692 -4.680 1.00 10.00 S ATOM 580 CE MET A 42 -18.088 -33.150 -4.414 1.00 10.00 C ATOM 0 H MET A 42 -14.506 -36.417 -3.489 1.00 10.00 H new ATOM 0 HA MET A 42 -17.364 -36.103 -2.998 1.00 10.00 H new ATOM 0 HB2 MET A 42 -15.892 -35.002 -4.764 1.00 10.00 H new ATOM 0 HB3 MET A 42 -15.813 -36.570 -5.543 1.00 10.00 H new ATOM 0 HG2 MET A 42 -17.551 -35.147 -6.528 1.00 10.00 H new ATOM 0 HG3 MET A 42 -18.213 -36.622 -5.851 1.00 10.00 H new ATOM 0 HE1 MET A 42 -18.740 -32.425 -3.927 1.00 10.00 H new ATOM 0 HE2 MET A 42 -17.221 -33.341 -3.781 1.00 10.00 H new ATOM 0 HE3 MET A 42 -17.757 -32.752 -5.373 1.00 10.00 H new ATOM 590 N ARG A 43 -17.362 -38.653 -2.457 1.00 10.00 N ATOM 591 CA ARG A 43 -17.726 -40.044 -2.216 1.00 10.00 C ATOM 592 C ARG A 43 -18.955 -40.491 -3.023 1.00 10.00 C ATOM 593 O ARG A 43 -19.996 -40.835 -2.461 1.00 10.00 O ATOM 594 CB ARG A 43 -17.938 -40.233 -0.702 1.00 10.00 C ATOM 595 CG ARG A 43 -17.929 -41.708 -0.277 1.00 10.00 C ATOM 596 CD ARG A 43 -16.509 -42.175 0.056 1.00 10.00 C ATOM 597 NE ARG A 43 -16.477 -43.619 0.307 1.00 10.00 N ATOM 598 CZ ARG A 43 -15.455 -44.274 0.876 1.00 10.00 C ATOM 599 NH1 ARG A 43 -14.347 -43.625 1.249 1.00 10.00 N ATOM 600 NH2 ARG A 43 -15.549 -45.595 1.061 1.00 10.00 N ATOM 0 H ARG A 43 -17.434 -38.092 -1.608 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.913 -40.683 -2.562 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.156 -39.700 -0.161 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -18.888 -39.783 -0.414 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -18.573 -41.844 0.592 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -18.340 -42.323 -1.078 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -15.839 -41.930 -0.768 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -16.143 -41.641 0.933 1.00 10.00 H new ATOM 0 HE ARG A 43 -17.292 -44.165 0.028 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -14.272 -42.619 1.102 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -13.577 -44.136 1.681 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -16.391 -46.092 0.770 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -14.779 -46.106 1.493 1.00 10.00 H new ATOM 614 N GLN A 44 -18.839 -40.523 -4.349 1.00 10.00 N ATOM 615 CA GLN A 44 -19.901 -40.962 -5.240 1.00 10.00 C ATOM 616 C GLN A 44 -19.921 -42.495 -5.245 1.00 10.00 C ATOM 617 O GLN A 44 -19.536 -43.150 -6.213 1.00 10.00 O ATOM 618 CB GLN A 44 -19.758 -40.284 -6.612 1.00 10.00 C ATOM 619 CG GLN A 44 -18.460 -40.619 -7.359 1.00 10.00 C ATOM 620 CD GLN A 44 -17.937 -39.430 -8.153 1.00 10.00 C ATOM 621 OE1 GLN A 44 -18.137 -39.339 -9.359 1.00 10.00 O ATOM 622 NE2 GLN A 44 -17.253 -38.505 -7.484 1.00 10.00 N ATOM 0 H GLN A 44 -17.990 -40.240 -4.838 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.887 -40.649 -4.896 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -20.605 -40.572 -7.235 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -19.815 -39.204 -6.476 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -17.702 -40.939 -6.644 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -18.636 -41.457 -8.034 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -17.103 -38.608 -6.480 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -16.879 -37.693 -7.975 1.00 10.00 H new ATOM 631 N GLY A 45 -20.345 -43.060 -4.113 1.00 10.00 N ATOM 632 CA GLY A 45 -20.394 -44.493 -3.896 1.00 10.00 C ATOM 633 C GLY A 45 -18.977 -45.052 -3.786 1.00 10.00 C ATOM 634 O GLY A 45 -18.122 -44.461 -3.128 1.00 10.00 O ATOM 0 H GLY A 45 -20.668 -42.518 -3.312 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -20.952 -44.713 -2.986 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -20.922 -44.976 -4.718 1.00 10.00 H new ATOM 638 N PHE A 46 -18.732 -46.195 -4.432 1.00 10.00 N ATOM 639 CA PHE A 46 -17.443 -46.880 -4.422 1.00 10.00 C ATOM 640 C PHE A 46 -16.304 -45.970 -4.880 1.00 10.00 C ATOM 641 O PHE A 46 -15.173 -46.086 -4.406 1.00 10.00 O ATOM 642 CB PHE A 46 -17.511 -48.108 -5.340 1.00 10.00 C ATOM 643 CG PHE A 46 -18.752 -48.961 -5.160 1.00 10.00 C ATOM 644 CD1 PHE A 46 -18.951 -49.667 -3.959 1.00 10.00 C ATOM 645 CD2 PHE A 46 -19.745 -48.986 -6.158 1.00 10.00 C ATOM 646 CE1 PHE A 46 -20.133 -50.399 -3.758 1.00 10.00 C ATOM 647 CE2 PHE A 46 -20.928 -49.719 -5.957 1.00 10.00 C ATOM 648 CZ PHE A 46 -21.123 -50.425 -4.756 1.00 10.00 C ATOM 0 H PHE A 46 -19.440 -46.677 -4.986 1.00 10.00 H new ATOM 0 HA PHE A 46 -17.236 -47.180 -3.395 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -17.463 -47.774 -6.376 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -16.631 -48.727 -5.163 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -18.193 -49.646 -3.190 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -19.598 -48.441 -7.079 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -20.281 -50.942 -2.836 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -21.687 -49.740 -6.725 1.00 10.00 H new ATOM 0 HZ PHE A 46 -22.032 -50.987 -4.601 1.00 10.00 H new ATOM 658 N PHE A 47 -16.595 -45.081 -5.831 1.00 10.00 N ATOM 659 CA PHE A 47 -15.622 -44.179 -6.415 1.00 10.00 C ATOM 660 C PHE A 47 -15.283 -43.060 -5.430 1.00 10.00 C ATOM 661 O PHE A 47 -15.684 -41.913 -5.615 1.00 10.00 O ATOM 662 CB PHE A 47 -16.176 -43.654 -7.745 1.00 10.00 C ATOM 663 CG PHE A 47 -16.664 -44.755 -8.668 1.00 10.00 C ATOM 664 CD1 PHE A 47 -15.740 -45.638 -9.256 1.00 10.00 C ATOM 665 CD2 PHE A 47 -18.045 -44.983 -8.829 1.00 10.00 C ATOM 666 CE1 PHE A 47 -16.191 -46.741 -10.001 1.00 10.00 C ATOM 667 CE2 PHE A 47 -18.497 -46.086 -9.573 1.00 10.00 C ATOM 668 CZ PHE A 47 -17.571 -46.967 -10.158 1.00 10.00 C ATOM 0 H PHE A 47 -17.532 -44.972 -6.218 1.00 10.00 H new ATOM 0 HA PHE A 47 -14.687 -44.700 -6.622 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.998 -42.968 -7.543 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.400 -43.081 -8.253 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -14.680 -45.468 -9.134 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -18.758 -44.308 -8.379 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -15.478 -47.415 -10.453 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -19.556 -46.257 -9.695 1.00 10.00 H new ATOM 0 HZ PHE A 47 -17.918 -47.816 -10.727 1.00 10.00 H new ATOM 678 N ALA A 48 -14.541 -43.398 -4.374 1.00 10.00 N ATOM 679 CA ALA A 48 -14.126 -42.475 -3.327 1.00 10.00 C ATOM 680 C ALA A 48 -13.029 -41.521 -3.819 1.00 10.00 C ATOM 681 O ALA A 48 -11.941 -41.458 -3.248 1.00 10.00 O ATOM 682 CB ALA A 48 -13.658 -43.303 -2.127 1.00 10.00 C ATOM 0 H ALA A 48 -14.205 -44.349 -4.223 1.00 10.00 H new ATOM 0 HA ALA A 48 -14.965 -41.844 -3.035 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.341 -42.635 -1.326 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -14.478 -43.929 -1.775 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -12.822 -43.935 -2.425 1.00 10.00 H new ATOM 688 N VAL A 49 -13.317 -40.755 -4.872 1.00 10.00 N ATOM 689 CA VAL A 49 -12.388 -39.809 -5.450 1.00 10.00 C ATOM 690 C VAL A 49 -12.399 -38.524 -4.648 1.00 10.00 C ATOM 691 O VAL A 49 -13.356 -38.239 -3.928 1.00 10.00 O ATOM 692 CB VAL A 49 -12.707 -39.587 -6.928 1.00 10.00 C ATOM 693 CG1 VAL A 49 -12.409 -40.897 -7.652 1.00 10.00 C ATOM 694 CG2 VAL A 49 -14.136 -39.109 -7.207 1.00 10.00 C ATOM 0 H VAL A 49 -14.219 -40.782 -5.348 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.375 -40.210 -5.405 1.00 10.00 H new ATOM 0 HB VAL A 49 -12.084 -38.771 -7.294 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -12.624 -40.783 -8.714 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -11.358 -41.155 -7.520 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.032 -41.691 -7.239 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -14.273 -38.978 -8.280 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -14.846 -39.850 -6.838 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -14.307 -38.159 -6.701 1.00 10.00 H new ATOM 704 N GLN A 50 -11.313 -37.760 -4.746 1.00 10.00 N ATOM 705 CA GLN A 50 -11.155 -36.566 -3.953 1.00 10.00 C ATOM 706 C GLN A 50 -10.416 -35.487 -4.725 1.00 10.00 C ATOM 707 O GLN A 50 -9.828 -35.765 -5.768 1.00 10.00 O ATOM 708 CB GLN A 50 -10.492 -36.978 -2.634 1.00 10.00 C ATOM 709 CG GLN A 50 -9.009 -37.299 -2.804 1.00 10.00 C ATOM 710 CD GLN A 50 -8.533 -38.270 -1.726 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.726 -37.917 -0.874 1.00 10.00 O ATOM 712 NE2 GLN A 50 -9.037 -39.503 -1.739 1.00 10.00 N ATOM 0 H GLN A 50 -10.532 -37.957 -5.372 1.00 10.00 H new ATOM 0 HA GLN A 50 -12.116 -36.108 -3.718 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.606 -36.174 -1.907 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -11.006 -37.850 -2.229 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.837 -37.732 -3.790 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -8.426 -36.379 -2.754 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -9.707 -39.772 -2.459 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.753 -40.178 -1.029 1.00 10.00 H new ATOM 721 N GLN A 51 -10.488 -34.257 -4.215 1.00 10.00 N ATOM 722 CA GLN A 51 -9.931 -33.067 -4.829 1.00 10.00 C ATOM 723 C GLN A 51 -9.403 -32.166 -3.718 1.00 10.00 C ATOM 724 O GLN A 51 -9.904 -32.220 -2.596 1.00 10.00 O ATOM 725 CB GLN A 51 -11.021 -32.302 -5.607 1.00 10.00 C ATOM 726 CG GLN A 51 -11.906 -33.153 -6.537 1.00 10.00 C ATOM 727 CD GLN A 51 -13.299 -33.470 -5.976 1.00 10.00 C ATOM 728 OE1 GLN A 51 -13.438 -33.786 -4.691 1.00 10.00 O flip ATOM 729 NE2 GLN A 51 -14.279 -33.424 -6.711 1.00 10.00 N flip ATOM 0 H GLN A 51 -10.955 -34.063 -3.329 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.137 -33.351 -5.520 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -11.665 -31.795 -4.888 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -10.539 -31.528 -6.204 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -12.021 -32.630 -7.487 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -11.392 -34.090 -6.749 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.167 -33.181 -7.695 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.206 -33.628 -6.338 1.00 10.00 H new ATOM 738 N THR A 52 -8.413 -31.333 -4.019 1.00 10.00 N ATOM 739 CA THR A 52 -7.863 -30.385 -3.069 1.00 10.00 C ATOM 740 C THR A 52 -8.961 -29.421 -2.611 1.00 10.00 C ATOM 741 O THR A 52 -9.721 -28.932 -3.444 1.00 10.00 O ATOM 742 CB THR A 52 -6.744 -29.621 -3.784 1.00 10.00 C ATOM 743 OG1 THR A 52 -5.926 -30.543 -4.479 1.00 10.00 O ATOM 744 CG2 THR A 52 -5.912 -28.839 -2.774 1.00 10.00 C ATOM 0 H THR A 52 -7.969 -31.300 -4.937 1.00 10.00 H new ATOM 0 HA THR A 52 -7.471 -30.893 -2.188 1.00 10.00 H new ATOM 0 HB THR A 52 -7.180 -28.915 -4.491 1.00 10.00 H new ATOM 0 HG1 THR A 52 -5.209 -30.061 -4.940 1.00 10.00 H new ATOM 0 HG21 THR A 52 -5.120 -28.300 -3.294 1.00 10.00 H new ATOM 0 HG22 THR A 52 -6.550 -28.128 -2.249 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.470 -29.529 -2.055 1.00 10.00 H new ATOM 752 N CYS A 53 -9.051 -29.117 -1.312 1.00 10.00 N ATOM 753 CA CYS A 53 -10.044 -28.176 -0.815 1.00 10.00 C ATOM 754 C CYS A 53 -9.639 -26.761 -1.254 1.00 10.00 C ATOM 755 O CYS A 53 -8.581 -26.287 -0.833 1.00 10.00 O ATOM 756 CB CYS A 53 -10.128 -28.263 0.709 1.00 10.00 C ATOM 757 SG CYS A 53 -11.405 -27.192 1.424 1.00 10.00 S ATOM 0 H CYS A 53 -8.446 -29.512 -0.591 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.026 -28.416 -1.222 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.328 -29.295 0.996 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.161 -27.996 1.134 1.00 10.00 H new ATOM 762 N PRO A 54 -10.436 -26.067 -2.082 1.00 10.00 N ATOM 763 CA PRO A 54 -10.075 -24.747 -2.576 1.00 10.00 C ATOM 764 C PRO A 54 -10.107 -23.691 -1.472 1.00 10.00 C ATOM 765 O PRO A 54 -9.252 -22.808 -1.441 1.00 10.00 O ATOM 766 CB PRO A 54 -11.080 -24.440 -3.689 1.00 10.00 C ATOM 767 CG PRO A 54 -12.316 -25.248 -3.294 1.00 10.00 C ATOM 768 CD PRO A 54 -11.717 -26.489 -2.632 1.00 10.00 C ATOM 0 HA PRO A 54 -9.050 -24.730 -2.947 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -11.300 -23.374 -3.747 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -10.700 -24.741 -4.666 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -12.958 -24.695 -2.608 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -12.924 -25.506 -4.161 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -12.373 -26.869 -1.849 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -11.586 -27.293 -3.356 1.00 10.00 H new ATOM 776 N HIS A 55 -11.095 -23.768 -0.574 1.00 10.00 N ATOM 777 CA HIS A 55 -11.307 -22.788 0.486 1.00 10.00 C ATOM 778 C HIS A 55 -10.050 -22.501 1.318 1.00 10.00 C ATOM 779 O HIS A 55 -9.832 -21.351 1.704 1.00 10.00 O ATOM 780 CB HIS A 55 -12.493 -23.209 1.363 1.00 10.00 C ATOM 781 CG HIS A 55 -13.086 -22.069 2.157 1.00 10.00 C ATOM 782 ND1 HIS A 55 -12.485 -20.857 2.420 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.333 -22.041 2.721 1.00 10.00 C ATOM 784 CE1 HIS A 55 -13.358 -20.115 3.122 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.495 -20.796 3.336 1.00 10.00 N ATOM 0 H HIS A 55 -11.778 -24.526 -0.567 1.00 10.00 H new ATOM 0 HA HIS A 55 -11.546 -21.841 0.002 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -13.267 -23.643 0.730 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.168 -23.990 2.050 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -11.548 -20.575 2.134 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.061 -22.838 2.695 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -13.171 -19.109 3.467 1.00 10.00 H new ATOM 793 N CYS A 56 -9.232 -23.529 1.573 1.00 10.00 N ATOM 794 CA CYS A 56 -7.968 -23.410 2.300 1.00 10.00 C ATOM 795 C CYS A 56 -6.770 -23.688 1.383 1.00 10.00 C ATOM 796 O CYS A 56 -5.665 -23.936 1.865 1.00 10.00 O ATOM 797 CB CYS A 56 -7.968 -24.346 3.514 1.00 10.00 C ATOM 798 SG CYS A 56 -8.335 -26.088 3.208 1.00 10.00 S ATOM 0 H CYS A 56 -9.436 -24.483 1.274 1.00 10.00 H new ATOM 0 HA CYS A 56 -7.870 -22.384 2.656 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -6.989 -24.285 3.989 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -8.695 -23.968 4.233 1.00 10.00 H new ATOM 803 N GLN A 57 -6.970 -23.651 0.061 1.00 10.00 N ATOM 804 CA GLN A 57 -5.944 -23.887 -0.946 1.00 10.00 C ATOM 805 C GLN A 57 -5.141 -25.154 -0.620 1.00 10.00 C ATOM 806 O GLN A 57 -3.919 -25.179 -0.731 1.00 10.00 O ATOM 807 CB GLN A 57 -5.043 -22.648 -1.116 1.00 10.00 C ATOM 808 CG GLN A 57 -5.795 -21.336 -1.406 1.00 10.00 C ATOM 809 CD GLN A 57 -6.500 -20.760 -0.177 1.00 10.00 C ATOM 810 OE1 GLN A 57 -5.858 -20.262 0.743 1.00 10.00 O ATOM 811 NE2 GLN A 57 -7.826 -20.848 -0.138 1.00 10.00 N ATOM 0 H GLN A 57 -7.883 -23.449 -0.345 1.00 10.00 H new ATOM 0 HA GLN A 57 -6.432 -24.057 -1.906 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -4.452 -22.519 -0.209 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -4.342 -22.835 -1.929 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -5.091 -20.599 -1.791 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -6.532 -21.513 -2.190 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -8.332 -21.267 -0.918 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -8.337 -20.496 0.672 1.00 10.00 H new ATOM 820 N GLY A 58 -5.839 -26.216 -0.207 1.00 10.00 N ATOM 821 CA GLY A 58 -5.235 -27.496 0.129 1.00 10.00 C ATOM 822 C GLY A 58 -4.451 -27.534 1.443 1.00 10.00 C ATOM 823 O GLY A 58 -3.900 -28.580 1.773 1.00 10.00 O ATOM 0 H GLY A 58 -6.853 -26.204 -0.097 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.023 -28.248 0.175 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -4.565 -27.785 -0.681 1.00 10.00 H new ATOM 827 N ARG A 59 -4.380 -26.436 2.202 1.00 10.00 N ATOM 828 CA ARG A 59 -3.590 -26.378 3.433 1.00 10.00 C ATOM 829 C ARG A 59 -4.357 -26.841 4.676 1.00 10.00 C ATOM 830 O ARG A 59 -3.855 -26.697 5.789 1.00 10.00 O ATOM 831 CB ARG A 59 -3.045 -24.954 3.622 1.00 10.00 C ATOM 832 CG ARG A 59 -2.361 -24.456 2.342 1.00 10.00 C ATOM 833 CD ARG A 59 -1.486 -23.223 2.576 1.00 10.00 C ATOM 834 NE ARG A 59 -2.087 -22.193 3.436 1.00 10.00 N ATOM 835 CZ ARG A 59 -3.053 -21.336 3.078 1.00 10.00 C ATOM 836 NH1 ARG A 59 -4.021 -21.672 2.222 1.00 10.00 N ATOM 837 NH2 ARG A 59 -3.014 -20.112 3.606 1.00 10.00 N ATOM 0 H ARG A 59 -4.866 -25.567 1.981 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.765 -27.082 3.321 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -3.860 -24.281 3.889 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -2.335 -24.939 4.448 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.748 -25.257 1.928 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.122 -24.220 1.598 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -0.544 -23.543 3.021 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.247 -22.776 1.611 1.00 10.00 H new ATOM 0 HE ARG A 59 -1.737 -22.125 4.392 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -4.042 -22.608 1.817 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -4.740 -20.993 1.973 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -2.268 -19.860 4.255 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -3.730 -19.428 3.361 1.00 10.00 H new ATOM 851 N GLY A 60 -5.586 -27.348 4.519 1.00 10.00 N ATOM 852 CA GLY A 60 -6.425 -27.822 5.621 1.00 10.00 C ATOM 853 C GLY A 60 -6.814 -26.749 6.649 1.00 10.00 C ATOM 854 O GLY A 60 -7.560 -27.034 7.586 1.00 10.00 O ATOM 0 H GLY A 60 -6.031 -27.441 3.606 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.336 -28.252 5.205 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.900 -28.625 6.138 1.00 10.00 H new ATOM 858 N THR A 61 -6.308 -25.524 6.509 1.00 10.00 N ATOM 859 CA THR A 61 -6.475 -24.435 7.448 1.00 10.00 C ATOM 860 C THR A 61 -7.130 -23.226 6.783 1.00 10.00 C ATOM 861 O THR A 61 -6.636 -22.699 5.792 1.00 10.00 O ATOM 862 CB THR A 61 -5.085 -24.081 7.992 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.085 -24.209 6.997 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.710 -24.994 9.164 1.00 10.00 C ATOM 0 H THR A 61 -5.747 -25.261 5.699 1.00 10.00 H new ATOM 0 HA THR A 61 -7.136 -24.736 8.261 1.00 10.00 H new ATOM 0 HB THR A 61 -5.135 -23.044 8.323 1.00 10.00 H new ATOM 0 HG1 THR A 61 -3.994 -25.151 6.744 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.721 -24.724 9.533 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.440 -24.877 9.965 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.702 -26.031 8.829 1.00 10.00 H new ATOM 872 N LEU A 62 -8.222 -22.757 7.378 1.00 10.00 N ATOM 873 CA LEU A 62 -8.912 -21.540 6.999 1.00 10.00 C ATOM 874 C LEU A 62 -8.212 -20.390 7.702 1.00 10.00 C ATOM 875 O LEU A 62 -7.615 -20.567 8.766 1.00 10.00 O ATOM 876 CB LEU A 62 -10.378 -21.565 7.446 1.00 10.00 C ATOM 877 CG LEU A 62 -11.258 -22.512 6.628 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.673 -22.476 7.213 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.315 -22.097 5.157 1.00 10.00 C ATOM 0 H LEU A 62 -8.662 -23.234 8.164 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.891 -21.435 5.914 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.423 -21.858 8.495 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.786 -20.556 7.379 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.834 -23.515 6.678 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.319 -23.145 6.644 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.645 -22.797 8.254 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.064 -21.460 7.157 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.949 -22.793 4.607 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -11.727 -21.091 5.079 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.310 -22.111 4.736 1.00 10.00 H new ATOM 891 N ILE A 63 -8.293 -19.211 7.088 1.00 10.00 N ATOM 892 CA ILE A 63 -7.664 -18.015 7.589 1.00 10.00 C ATOM 893 C ILE A 63 -8.677 -16.875 7.546 1.00 10.00 C ATOM 894 O ILE A 63 -8.706 -16.090 6.601 1.00 10.00 O ATOM 895 CB ILE A 63 -6.389 -17.707 6.784 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.449 -18.911 6.605 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.632 -16.648 7.572 1.00 10.00 C ATOM 898 CD1 ILE A 63 -5.725 -19.674 5.309 1.00 10.00 C ATOM 0 H ILE A 63 -8.807 -19.070 6.218 1.00 10.00 H new ATOM 0 HA ILE A 63 -7.351 -18.150 8.624 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.692 -17.397 5.784 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -4.415 -18.566 6.608 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.562 -19.587 7.453 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -4.714 -16.390 7.045 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.253 -15.758 7.676 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.386 -17.036 8.560 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -5.036 -20.515 5.228 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -6.750 -20.044 5.316 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.586 -19.008 4.458 1.00 10.00 H new ATOM 910 N LYS A 64 -9.500 -16.766 8.589 1.00 10.00 N ATOM 911 CA LYS A 64 -10.467 -15.684 8.715 1.00 10.00 C ATOM 912 C LYS A 64 -9.733 -14.343 8.903 1.00 10.00 C ATOM 913 O LYS A 64 -10.288 -13.284 8.625 1.00 10.00 O ATOM 914 CB LYS A 64 -11.401 -15.963 9.900 1.00 10.00 C ATOM 915 CG LYS A 64 -12.253 -17.220 9.665 1.00 10.00 C ATOM 916 CD LYS A 64 -13.049 -17.622 10.917 1.00 10.00 C ATOM 917 CE LYS A 64 -13.999 -16.530 11.429 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.944 -16.086 10.390 1.00 10.00 N ATOM 0 H LYS A 64 -9.513 -17.426 9.367 1.00 10.00 H new ATOM 0 HA LYS A 64 -11.065 -15.623 7.806 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.811 -16.087 10.808 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -12.054 -15.105 10.059 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -12.942 -17.041 8.840 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.606 -18.045 9.367 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.628 -18.518 10.695 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.350 -17.883 11.711 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -14.555 -16.907 12.287 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.416 -15.677 11.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -15.620 -15.411 10.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -14.420 -15.625 9.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -15.460 -16.908 10.016 1.00 10.00 H new ATOM 932 N ASP A 65 -8.487 -14.404 9.388 1.00 10.00 N ATOM 933 CA ASP A 65 -7.573 -13.302 9.676 1.00 10.00 C ATOM 934 C ASP A 65 -6.386 -13.328 8.686 1.00 10.00 C ATOM 935 O ASP A 65 -5.260 -13.642 9.079 1.00 10.00 O ATOM 936 CB ASP A 65 -7.122 -13.480 11.139 1.00 10.00 C ATOM 937 CG ASP A 65 -6.348 -14.782 11.397 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.859 -15.858 11.005 1.00 10.00 O ATOM 939 OD2 ASP A 65 -5.254 -14.678 11.987 1.00 10.00 O ATOM 0 H ASP A 65 -8.060 -15.304 9.606 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.050 -12.329 9.554 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.495 -12.634 11.421 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.000 -13.456 11.785 1.00 10.00 H new ATOM 944 N PRO A 66 -6.617 -13.048 7.392 1.00 10.00 N ATOM 945 CA PRO A 66 -5.610 -13.195 6.351 1.00 10.00 C ATOM 946 C PRO A 66 -4.453 -12.197 6.409 1.00 10.00 C ATOM 947 O PRO A 66 -4.650 -10.987 6.512 1.00 10.00 O ATOM 948 CB PRO A 66 -6.369 -13.064 5.026 1.00 10.00 C ATOM 949 CG PRO A 66 -7.540 -12.157 5.393 1.00 10.00 C ATOM 950 CD PRO A 66 -7.884 -12.651 6.797 1.00 10.00 C ATOM 0 HA PRO A 66 -5.116 -14.158 6.479 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.747 -12.625 4.246 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.708 -14.032 4.657 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.260 -11.104 5.387 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.376 -12.269 4.703 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.363 -11.866 7.382 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.579 -13.490 6.758 1.00 10.00 H new ATOM 958 N CYS A 67 -3.233 -12.720 6.265 1.00 10.00 N ATOM 959 CA CYS A 67 -2.021 -11.934 6.141 1.00 10.00 C ATOM 960 C CYS A 67 -2.058 -11.252 4.772 1.00 10.00 C ATOM 961 O CYS A 67 -1.659 -11.846 3.766 1.00 10.00 O ATOM 962 CB CYS A 67 -0.812 -12.863 6.269 1.00 10.00 C ATOM 963 SG CYS A 67 0.815 -12.093 6.039 1.00 10.00 S ATOM 0 H CYS A 67 -3.066 -13.726 6.232 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.946 -11.177 6.922 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.837 -13.324 7.256 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.918 -13.666 5.539 1.00 10.00 H new ATOM 968 N ASN A 68 -2.575 -10.020 4.743 1.00 10.00 N ATOM 969 CA ASN A 68 -2.739 -9.192 3.550 1.00 10.00 C ATOM 970 C ASN A 68 -1.542 -9.285 2.601 1.00 10.00 C ATOM 971 O ASN A 68 -1.740 -9.456 1.399 1.00 10.00 O ATOM 972 CB ASN A 68 -2.987 -7.736 3.953 1.00 10.00 C ATOM 973 CG ASN A 68 -3.060 -6.839 2.721 1.00 10.00 C ATOM 974 OD1 ASN A 68 -2.106 -6.142 2.402 1.00 10.00 O ATOM 975 ND2 ASN A 68 -4.185 -6.857 2.012 1.00 10.00 N ATOM 0 H ASN A 68 -2.904 -9.555 5.589 1.00 10.00 H new ATOM 0 HA ASN A 68 -3.604 -9.574 3.008 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.917 -7.663 4.517 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -2.188 -7.394 4.610 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -4.270 -6.279 1.176 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -4.963 -7.449 2.304 1.00 10.00 H new ATOM 982 N LYS A 69 -0.323 -9.206 3.147 1.00 10.00 N ATOM 983 CA LYS A 69 0.940 -9.301 2.415 1.00 10.00 C ATOM 984 C LYS A 69 0.921 -10.409 1.355 1.00 10.00 C ATOM 985 O LYS A 69 1.453 -10.223 0.263 1.00 10.00 O ATOM 986 CB LYS A 69 2.084 -9.524 3.415 1.00 10.00 C ATOM 987 CG LYS A 69 3.458 -9.545 2.728 1.00 10.00 C ATOM 988 CD LYS A 69 4.569 -9.701 3.773 1.00 10.00 C ATOM 989 CE LYS A 69 5.934 -9.948 3.118 1.00 10.00 C ATOM 990 NZ LYS A 69 6.340 -8.830 2.247 1.00 10.00 N ATOM 0 H LYS A 69 -0.187 -9.069 4.149 1.00 10.00 H new ATOM 0 HA LYS A 69 1.093 -8.365 1.878 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.067 -8.734 4.166 1.00 10.00 H new ATOM 0 HB3 LYS A 69 1.927 -10.466 3.940 1.00 10.00 H new ATOM 0 HG2 LYS A 69 3.503 -10.367 2.013 1.00 10.00 H new ATOM 0 HG3 LYS A 69 3.605 -8.624 2.164 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.618 -8.803 4.389 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.329 -10.531 4.438 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.686 -10.095 3.893 1.00 10.00 H new ATOM 0 HE3 LYS A 69 5.894 -10.867 2.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.303 -8.999 1.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 5.682 -8.759 1.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.321 -7.943 2.789 1.00 10.00 H new ATOM 1004 N CYS A 70 0.320 -11.557 1.682 1.00 10.00 N ATOM 1005 CA CYS A 70 0.216 -12.704 0.788 1.00 10.00 C ATOM 1006 C CYS A 70 -1.245 -13.126 0.622 1.00 10.00 C ATOM 1007 O CYS A 70 -1.522 -14.284 0.319 1.00 10.00 O ATOM 1008 CB CYS A 70 1.044 -13.848 1.374 1.00 10.00 C ATOM 1009 SG CYS A 70 0.531 -14.346 3.032 1.00 10.00 S ATOM 0 H CYS A 70 -0.114 -11.713 2.592 1.00 10.00 H new ATOM 0 HA CYS A 70 0.596 -12.440 -0.199 1.00 10.00 H new ATOM 0 HB2 CYS A 70 0.977 -14.709 0.709 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.091 -13.548 1.403 1.00 10.00 H new ATOM 1014 N HIS A 71 -2.182 -12.205 0.862 1.00 10.00 N ATOM 1015 CA HIS A 71 -3.620 -12.439 0.799 1.00 10.00 C ATOM 1016 C HIS A 71 -4.001 -13.736 1.529 1.00 10.00 C ATOM 1017 O HIS A 71 -4.824 -14.515 1.053 1.00 10.00 O ATOM 1018 CB HIS A 71 -4.089 -12.433 -0.665 1.00 10.00 C ATOM 1019 CG HIS A 71 -3.831 -11.150 -1.424 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -3.176 -10.024 -0.969 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -4.223 -10.901 -2.712 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -3.173 -9.125 -1.967 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -3.803 -9.610 -3.048 1.00 10.00 N ATOM 0 H HIS A 71 -1.948 -11.245 1.114 1.00 10.00 H new ATOM 0 HA HIS A 71 -4.136 -11.630 1.316 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -3.596 -13.251 -1.190 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -5.159 -12.639 -0.687 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -2.768 -9.897 -0.043 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.761 -11.581 -3.355 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -2.724 -8.144 -1.907 1.00 10.00 H new ATOM 1031 N GLY A 72 -3.383 -13.988 2.687 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.644 -15.179 3.481 1.00 10.00 C ATOM 1033 C GLY A 72 -3.311 -16.512 2.797 1.00 10.00 C ATOM 1034 O GLY A 72 -3.731 -17.552 3.293 1.00 10.00 O ATOM 0 H GLY A 72 -2.686 -13.366 3.096 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -3.071 -15.111 4.406 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.698 -15.186 3.759 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.550 -16.521 1.694 1.00 10.00 N ATOM 1039 CA HIS A 73 -2.142 -17.756 1.018 1.00 10.00 C ATOM 1040 C HIS A 73 -0.967 -18.413 1.757 1.00 10.00 C ATOM 1041 O HIS A 73 -0.735 -19.614 1.639 1.00 10.00 O ATOM 1042 CB HIS A 73 -1.738 -17.451 -0.430 1.00 10.00 C ATOM 1043 CG HIS A 73 -2.863 -16.970 -1.316 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -3.973 -16.245 -0.938 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -2.946 -17.165 -2.669 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -4.703 -16.016 -2.042 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -4.120 -16.559 -3.122 1.00 10.00 N ATOM 0 H HIS A 73 -2.201 -15.673 1.247 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.986 -18.446 1.020 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -0.953 -16.695 -0.421 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -1.308 -18.351 -0.869 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -4.199 -15.938 0.008 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -2.229 -17.695 -3.279 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -5.634 -15.469 -2.058 1.00 10.00 H new ATOM 1055 N GLY A 74 -0.218 -17.606 2.511 1.00 10.00 N ATOM 1056 CA GLY A 74 0.926 -18.014 3.312 1.00 10.00 C ATOM 1057 C GLY A 74 2.257 -18.006 2.561 1.00 10.00 C ATOM 1058 O GLY A 74 3.288 -18.352 3.137 1.00 10.00 O ATOM 0 H GLY A 74 -0.405 -16.606 2.579 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.005 -17.352 4.174 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.746 -19.018 3.696 1.00 10.00 H new ATOM 1062 N ARG A 75 2.268 -17.577 1.298 1.00 10.00 N ATOM 1063 CA ARG A 75 3.477 -17.511 0.496 1.00 10.00 C ATOM 1064 C ARG A 75 3.311 -16.444 -0.577 1.00 10.00 C ATOM 1065 O ARG A 75 2.184 -16.161 -0.981 1.00 10.00 O ATOM 1066 CB ARG A 75 3.793 -18.893 -0.092 1.00 10.00 C ATOM 1067 CG ARG A 75 2.663 -19.451 -0.975 1.00 10.00 C ATOM 1068 CD ARG A 75 2.309 -20.895 -0.601 1.00 10.00 C ATOM 1069 NE ARG A 75 1.549 -20.938 0.657 1.00 10.00 N ATOM 1070 CZ ARG A 75 1.965 -21.351 1.863 1.00 10.00 C ATOM 1071 NH1 ARG A 75 3.205 -21.802 2.076 1.00 10.00 N ATOM 1072 NH2 ARG A 75 1.103 -21.281 2.878 1.00 10.00 N ATOM 0 H ARG A 75 1.431 -17.265 0.806 1.00 10.00 H new ATOM 0 HA ARG A 75 4.328 -17.228 1.116 1.00 10.00 H new ATOM 0 HB2 ARG A 75 4.708 -18.829 -0.682 1.00 10.00 H new ATOM 0 HB3 ARG A 75 3.987 -19.591 0.722 1.00 10.00 H new ATOM 0 HG2 ARG A 75 1.778 -18.822 -0.874 1.00 10.00 H new ATOM 0 HG3 ARG A 75 2.965 -19.410 -2.021 1.00 10.00 H new ATOM 0 HD2 ARG A 75 1.723 -21.349 -1.400 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.221 -21.483 -0.500 1.00 10.00 H new ATOM 0 HE ARG A 75 0.584 -20.613 0.606 1.00 10.00 H new ATOM 0 HH11 ARG A 75 3.873 -21.841 1.306 1.00 10.00 H new ATOM 0 HH12 ARG A 75 3.483 -22.107 3.009 1.00 10.00 H new ATOM 0 HH21 ARG A 75 0.161 -20.922 2.723 1.00 10.00 H new ATOM 0 HH22 ARG A 75 1.386 -21.587 3.809 1.00 10.00 H new ATOM 1086 N VAL A 76 4.424 -15.860 -1.027 1.00 10.00 N ATOM 1087 CA VAL A 76 4.450 -14.835 -2.064 1.00 10.00 C ATOM 1088 C VAL A 76 5.191 -15.411 -3.270 1.00 10.00 C ATOM 1089 O VAL A 76 6.165 -16.138 -3.097 1.00 10.00 O ATOM 1090 CB VAL A 76 5.083 -13.532 -1.536 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.248 -12.958 -0.385 1.00 10.00 C ATOM 1092 CG2 VAL A 76 6.530 -13.701 -1.057 1.00 10.00 C ATOM 0 H VAL A 76 5.351 -16.094 -0.671 1.00 10.00 H new ATOM 0 HA VAL A 76 3.439 -14.565 -2.369 1.00 10.00 H new ATOM 0 HB VAL A 76 5.097 -12.848 -2.384 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.709 -12.039 -0.024 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.240 -12.744 -0.739 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.201 -13.683 0.427 1.00 10.00 H new ATOM 0 HG21 VAL A 76 6.909 -12.744 -0.700 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.562 -14.429 -0.247 1.00 10.00 H new ATOM 0 HG23 VAL A 76 7.148 -14.051 -1.884 1.00 10.00 H new ATOM 1102 N GLU A 77 4.728 -15.137 -4.491 1.00 10.00 N ATOM 1103 CA GLU A 77 5.361 -15.686 -5.681 1.00 10.00 C ATOM 1104 C GLU A 77 6.771 -15.116 -5.854 1.00 10.00 C ATOM 1105 O GLU A 77 6.971 -13.907 -5.743 1.00 10.00 O ATOM 1106 CB GLU A 77 4.455 -15.465 -6.899 1.00 10.00 C ATOM 1107 CG GLU A 77 5.021 -16.091 -8.182 1.00 10.00 C ATOM 1108 CD GLU A 77 4.115 -15.815 -9.376 1.00 10.00 C ATOM 1109 OE1 GLU A 77 4.128 -14.653 -9.838 1.00 10.00 O ATOM 1110 OE2 GLU A 77 3.417 -16.763 -9.794 1.00 10.00 O ATOM 0 H GLU A 77 3.921 -14.541 -4.676 1.00 10.00 H new ATOM 0 HA GLU A 77 5.487 -16.763 -5.573 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.471 -15.889 -6.696 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.315 -14.395 -7.053 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.016 -15.691 -8.377 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.131 -17.167 -8.047 1.00 10.00 H new ATOM 1117 N ARG A 78 7.747 -15.981 -6.148 1.00 10.00 N ATOM 1118 CA ARG A 78 9.133 -15.585 -6.362 1.00 10.00 C ATOM 1119 C ARG A 78 9.259 -14.978 -7.763 1.00 10.00 C ATOM 1120 O ARG A 78 9.911 -15.537 -8.643 1.00 10.00 O ATOM 1121 CB ARG A 78 10.063 -16.793 -6.143 1.00 10.00 C ATOM 1122 CG ARG A 78 11.538 -16.369 -6.049 1.00 10.00 C ATOM 1123 CD ARG A 78 12.488 -17.555 -5.832 1.00 10.00 C ATOM 1124 NE ARG A 78 12.244 -18.220 -4.541 1.00 10.00 N ATOM 1125 CZ ARG A 78 11.490 -19.311 -4.334 1.00 10.00 C ATOM 1126 NH1 ARG A 78 10.994 -20.011 -5.359 1.00 10.00 N ATOM 1127 NH2 ARG A 78 11.217 -19.683 -3.082 1.00 10.00 N ATOM 0 H ARG A 78 7.590 -16.984 -6.244 1.00 10.00 H new ATOM 0 HA ARG A 78 9.438 -14.825 -5.642 1.00 10.00 H new ATOM 0 HB2 ARG A 78 9.775 -17.312 -5.229 1.00 10.00 H new ATOM 0 HB3 ARG A 78 9.940 -17.500 -6.963 1.00 10.00 H new ATOM 0 HG2 ARG A 78 11.820 -15.847 -6.963 1.00 10.00 H new ATOM 0 HG3 ARG A 78 11.656 -15.661 -5.229 1.00 10.00 H new ATOM 0 HD2 ARG A 78 12.363 -18.274 -6.641 1.00 10.00 H new ATOM 0 HD3 ARG A 78 13.520 -17.207 -5.872 1.00 10.00 H new ATOM 0 HE ARG A 78 12.693 -17.810 -3.722 1.00 10.00 H new ATOM 0 HH11 ARG A 78 11.187 -19.719 -6.317 1.00 10.00 H new ATOM 0 HH12 ARG A 78 10.423 -20.838 -5.183 1.00 10.00 H new ATOM 0 HH21 ARG A 78 11.580 -19.141 -2.298 1.00 10.00 H new ATOM 0 HH22 ARG A 78 10.645 -20.510 -2.909 1.00 10.00 H new ATOM 1141 N SER A 79 8.606 -13.837 -7.992 1.00 10.00 N ATOM 1142 CA SER A 79 8.603 -13.134 -9.267 1.00 10.00 C ATOM 1143 C SER A 79 8.264 -11.664 -9.025 1.00 10.00 C ATOM 1144 O SER A 79 7.727 -11.321 -7.973 1.00 10.00 O ATOM 1145 CB SER A 79 7.586 -13.774 -10.224 1.00 10.00 C ATOM 1146 OG SER A 79 7.842 -15.154 -10.402 1.00 10.00 O ATOM 0 H SER A 79 8.052 -13.368 -7.275 1.00 10.00 H new ATOM 0 HA SER A 79 9.589 -13.204 -9.727 1.00 10.00 H new ATOM 0 HB2 SER A 79 6.578 -13.637 -9.831 1.00 10.00 H new ATOM 0 HB3 SER A 79 7.624 -13.268 -11.189 1.00 10.00 H new ATOM 0 HG SER A 79 7.178 -15.534 -11.014 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 1.708 -13.914 4.945 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.309 -27.236 3.440 1.00 10.00 ZN