USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 773 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 39 SER OG : rot 63:sc= 1.34 USER MOD Set 1.2: A 52 HIS : no HE2:sc= 0.603 K(o=1.9,f=-5.4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.62) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.1) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 21 THR OG1 : rot 57:sc= -1.87 USER MOD Single : A 23 SER OG : rot -171:sc= 0.761 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00699 K(o=-0.007,f=-0.94) USER MOD Single : A 32 THR OG1 : rot 162:sc= 1.05 USER MOD Single : A 36 ASN : amide:sc= -0.948 K(o=-0.95,f=-3.8!) USER MOD Single : A 41 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.0023) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0697) USER MOD Single : A 45 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.6!) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc=-0.00486 (180deg=-0.0844) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 174:sc= -0.539 (180deg=-0.637) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 68 TYR OH : rot -124:sc= 1.02 USER MOD Single : A 70 GLN : amide:sc= 0.507 K(o=0.51,f=-8.1!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -145:sc= 1.15 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -33.022 2.980 -5.695 1.00 1.00 N ATOM 2 CA PRO A 1 -32.266 2.088 -6.597 1.00 1.00 C ATOM 3 C PRO A 1 -30.973 2.746 -7.034 1.00 1.00 C ATOM 4 O PRO A 1 -30.934 3.947 -7.275 1.00 1.00 O ATOM 5 CB PRO A 1 -33.109 1.770 -7.818 1.00 1.00 C ATOM 6 CG PRO A 1 -34.271 2.702 -7.731 1.00 1.00 C ATOM 7 CD PRO A 1 -34.080 3.601 -6.519 1.00 1.00 C ATOM 0 H2 PRO A 1 -32.412 3.690 -5.290 1.00 1.00 H new ATOM 0 H3 PRO A 1 -33.426 2.456 -4.919 1.00 1.00 H new ATOM 0 HA PRO A 1 -32.028 1.169 -6.062 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -32.546 1.924 -8.739 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -33.435 0.730 -7.814 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -34.345 3.301 -8.639 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -35.201 2.140 -7.643 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -33.793 4.607 -6.824 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -35.008 3.692 -5.954 1.00 1.00 H new ATOM 17 N ILE A 2 -29.914 1.970 -7.100 1.00 1.00 N ATOM 18 CA ILE A 2 -28.633 2.499 -7.541 1.00 1.00 C ATOM 19 C ILE A 2 -28.636 2.632 -9.054 1.00 1.00 C ATOM 20 O ILE A 2 -28.778 1.657 -9.781 1.00 1.00 O ATOM 21 CB ILE A 2 -27.454 1.616 -7.095 1.00 1.00 C ATOM 22 CG1 ILE A 2 -27.728 0.139 -7.419 1.00 1.00 C ATOM 23 CG2 ILE A 2 -27.202 1.814 -5.607 1.00 1.00 C ATOM 24 CD1 ILE A 2 -26.568 -0.777 -7.097 1.00 1.00 C ATOM 0 H ILE A 2 -29.909 0.979 -6.858 1.00 1.00 H new ATOM 0 HA ILE A 2 -28.499 3.476 -7.077 1.00 1.00 H new ATOM 0 HB ILE A 2 -26.559 1.912 -7.643 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -28.605 -0.190 -6.862 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -27.970 0.047 -8.478 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -26.367 1.188 -5.293 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -26.964 2.860 -5.414 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -28.095 1.536 -5.047 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -26.833 -1.803 -7.351 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -25.694 -0.474 -7.674 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -26.340 -0.715 -6.033 1.00 1.00 H new ATOM 36 N THR A 3 -28.531 3.839 -9.535 1.00 1.00 N ATOM 37 CA THR A 3 -28.539 4.060 -10.972 1.00 1.00 C ATOM 38 C THR A 3 -27.132 4.251 -11.532 1.00 1.00 C ATOM 39 O THR A 3 -26.138 4.177 -10.811 1.00 1.00 O ATOM 40 CB THR A 3 -29.385 5.300 -11.328 1.00 1.00 C ATOM 41 OG1 THR A 3 -28.873 6.462 -10.656 1.00 1.00 O ATOM 42 CG2 THR A 3 -30.844 5.084 -10.954 1.00 1.00 C ATOM 0 H THR A 3 -28.439 4.683 -8.969 1.00 1.00 H new ATOM 0 HA THR A 3 -28.974 3.167 -11.421 1.00 1.00 H new ATOM 0 HB THR A 3 -29.323 5.456 -12.405 1.00 1.00 H new ATOM 0 HG1 THR A 3 -29.417 7.242 -10.891 1.00 1.00 H new ATOM 0 HG21 THR A 3 -31.421 5.971 -11.214 1.00 1.00 H new ATOM 0 HG22 THR A 3 -31.235 4.224 -11.497 1.00 1.00 H new ATOM 0 HG23 THR A 3 -30.922 4.902 -9.882 1.00 1.00 H new ATOM 50 N LYS A 4 -27.048 4.442 -12.842 1.00 1.00 N ATOM 51 CA LYS A 4 -25.767 4.723 -13.491 1.00 1.00 C ATOM 52 C LYS A 4 -25.199 6.018 -12.917 1.00 1.00 C ATOM 53 O LYS A 4 -23.997 6.189 -12.770 1.00 1.00 O ATOM 54 CB LYS A 4 -25.944 4.948 -14.996 1.00 1.00 C ATOM 55 CG LYS A 4 -26.526 3.785 -15.781 1.00 1.00 C ATOM 56 CD LYS A 4 -26.549 4.099 -17.277 1.00 1.00 C ATOM 57 CE LYS A 4 -27.410 5.320 -17.581 1.00 1.00 C ATOM 58 NZ LYS A 4 -27.346 5.719 -19.017 1.00 1.00 N ATOM 0 H LYS A 4 -27.846 4.408 -13.477 1.00 1.00 H new ATOM 0 HA LYS A 4 -25.110 3.870 -13.318 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -26.588 5.816 -15.140 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -24.972 5.198 -15.422 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -25.935 2.887 -15.602 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -27.537 3.575 -15.433 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -25.532 4.274 -17.628 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -26.932 3.238 -17.824 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -28.445 5.107 -17.312 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -27.084 6.155 -16.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -27.948 6.553 -19.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -26.364 5.948 -19.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -27.682 4.934 -19.611 1.00 1.00 H new ATOM 72 N GLU A 5 -26.113 6.914 -12.566 1.00 1.00 N ATOM 73 CA GLU A 5 -25.775 8.226 -12.025 1.00 1.00 C ATOM 74 C GLU A 5 -25.380 8.095 -10.560 1.00 1.00 C ATOM 75 O GLU A 5 -24.712 8.954 -9.981 1.00 1.00 O ATOM 76 CB GLU A 5 -26.989 9.130 -12.204 1.00 1.00 C ATOM 77 CG GLU A 5 -26.833 10.539 -11.670 1.00 1.00 C ATOM 78 CD GLU A 5 -28.078 11.360 -11.932 1.00 1.00 C ATOM 79 OE1 GLU A 5 -29.087 11.148 -11.225 1.00 1.00 O ATOM 80 OE2 GLU A 5 -28.056 12.194 -12.862 1.00 1.00 O ATOM 0 H GLU A 5 -27.116 6.750 -12.649 1.00 1.00 H new ATOM 0 HA GLU A 5 -24.924 8.660 -12.549 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -27.226 9.186 -13.267 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -27.843 8.665 -11.711 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -26.634 10.506 -10.599 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -25.973 11.016 -12.139 1.00 1.00 H new ATOM 87 N GLU A 6 -25.760 6.970 -9.981 1.00 1.00 N ATOM 88 CA GLU A 6 -25.434 6.672 -8.610 1.00 1.00 C ATOM 89 C GLU A 6 -24.028 6.138 -8.583 1.00 1.00 C ATOM 90 O GLU A 6 -23.237 6.398 -7.674 1.00 1.00 O ATOM 91 CB GLU A 6 -26.416 5.647 -8.076 1.00 1.00 C ATOM 92 CG GLU A 6 -27.559 6.303 -7.345 1.00 1.00 C ATOM 93 CD GLU A 6 -27.063 7.092 -6.145 1.00 1.00 C ATOM 94 OE1 GLU A 6 -26.451 6.487 -5.235 1.00 1.00 O ATOM 95 OE2 GLU A 6 -27.233 8.326 -6.125 1.00 1.00 O ATOM 0 H GLU A 6 -26.301 6.244 -10.451 1.00 1.00 H new ATOM 0 HA GLU A 6 -25.500 7.561 -7.982 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -26.805 5.051 -8.901 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -25.899 4.962 -7.404 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -28.095 6.967 -8.024 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -28.268 5.543 -7.016 1.00 1.00 H new ATOM 102 N LYS A 7 -23.711 5.420 -9.643 1.00 1.00 N ATOM 103 CA LYS A 7 -22.415 4.860 -9.810 1.00 1.00 C ATOM 104 C LYS A 7 -21.457 5.949 -10.301 1.00 1.00 C ATOM 105 O LYS A 7 -20.293 5.983 -9.927 1.00 1.00 O ATOM 106 CB LYS A 7 -22.527 3.685 -10.759 1.00 1.00 C ATOM 107 CG LYS A 7 -21.230 2.942 -10.934 1.00 1.00 C ATOM 108 CD LYS A 7 -21.442 1.590 -11.589 1.00 1.00 C ATOM 109 CE LYS A 7 -22.218 0.632 -10.688 1.00 1.00 C ATOM 110 NZ LYS A 7 -22.417 -0.700 -11.330 1.00 1.00 N ATOM 0 H LYS A 7 -24.357 5.217 -10.405 1.00 1.00 H new ATOM 0 HA LYS A 7 -22.007 4.487 -8.870 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -23.286 2.997 -10.387 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -22.869 4.042 -11.731 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -20.548 3.538 -11.541 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -20.755 2.805 -9.963 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -21.981 1.722 -12.527 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -20.475 1.152 -11.836 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -21.682 0.505 -9.747 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -23.188 1.067 -10.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -22.948 -1.320 -10.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -22.950 -0.583 -12.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -21.492 -1.127 -11.538 1.00 1.00 H new ATOM 124 N GLN A 8 -21.972 6.859 -11.120 1.00 1.00 N ATOM 125 CA GLN A 8 -21.190 8.001 -11.580 1.00 1.00 C ATOM 126 C GLN A 8 -20.823 8.841 -10.347 1.00 1.00 C ATOM 127 O GLN A 8 -19.733 9.403 -10.248 1.00 1.00 O ATOM 128 CB GLN A 8 -22.017 8.800 -12.590 1.00 1.00 C ATOM 129 CG GLN A 8 -21.360 10.073 -13.098 1.00 1.00 C ATOM 130 CD GLN A 8 -20.009 9.847 -13.742 1.00 1.00 C ATOM 131 OE1 GLN A 8 -19.724 8.792 -14.291 1.00 1.00 O ATOM 132 NE2 GLN A 8 -19.167 10.854 -13.683 1.00 1.00 N ATOM 0 H GLN A 8 -22.926 6.829 -11.479 1.00 1.00 H new ATOM 0 HA GLN A 8 -20.274 7.688 -12.081 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -22.239 8.159 -13.443 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -22.971 9.060 -12.131 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -22.022 10.549 -13.821 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -21.244 10.768 -12.266 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -19.439 11.719 -13.217 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -18.241 10.770 -14.103 1.00 1.00 H new ATOM 141 N LYS A 9 -21.760 8.887 -9.395 1.00 1.00 N ATOM 142 CA LYS A 9 -21.556 9.569 -8.118 1.00 1.00 C ATOM 143 C LYS A 9 -20.424 8.855 -7.342 1.00 1.00 C ATOM 144 O LYS A 9 -19.630 9.491 -6.664 1.00 1.00 O ATOM 145 CB LYS A 9 -22.895 9.588 -7.339 1.00 1.00 C ATOM 146 CG LYS A 9 -22.858 10.171 -5.922 1.00 1.00 C ATOM 147 CD LYS A 9 -22.420 9.155 -4.867 1.00 1.00 C ATOM 148 CE LYS A 9 -23.365 7.959 -4.771 1.00 1.00 C ATOM 149 NZ LYS A 9 -24.743 8.351 -4.357 1.00 1.00 N ATOM 0 H LYS A 9 -22.678 8.453 -9.490 1.00 1.00 H new ATOM 0 HA LYS A 9 -21.248 10.604 -8.266 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -23.620 10.156 -7.922 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -23.267 8.565 -7.277 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -22.177 11.022 -5.903 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -23.848 10.549 -5.665 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -21.416 8.802 -5.104 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -22.364 9.647 -3.896 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -23.409 7.456 -5.737 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -22.965 7.241 -4.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -25.357 7.512 -4.356 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -24.715 8.761 -3.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -25.119 9.054 -5.024 1.00 1.00 H new ATOM 163 N VAL A 10 -20.349 7.520 -7.460 1.00 1.00 N ATOM 164 CA VAL A 10 -19.276 6.741 -6.811 1.00 1.00 C ATOM 165 C VAL A 10 -17.899 7.138 -7.380 1.00 1.00 C ATOM 166 O VAL A 10 -16.914 7.262 -6.653 1.00 1.00 O ATOM 167 CB VAL A 10 -19.497 5.214 -6.990 1.00 1.00 C ATOM 168 CG1 VAL A 10 -18.325 4.407 -6.446 1.00 1.00 C ATOM 169 CG2 VAL A 10 -20.785 4.784 -6.308 1.00 1.00 C ATOM 0 H VAL A 10 -21.012 6.958 -7.994 1.00 1.00 H new ATOM 0 HA VAL A 10 -19.304 6.969 -5.746 1.00 1.00 H new ATOM 0 HB VAL A 10 -19.571 5.016 -8.059 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -18.517 3.344 -6.590 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -17.414 4.686 -6.976 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -18.204 4.613 -5.383 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -20.927 3.712 -6.442 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -20.727 5.013 -5.244 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -21.626 5.319 -6.749 1.00 1.00 H new ATOM 179 N ILE A 11 -17.857 7.359 -8.683 1.00 1.00 N ATOM 180 CA ILE A 11 -16.632 7.773 -9.373 1.00 1.00 C ATOM 181 C ILE A 11 -16.296 9.217 -8.979 1.00 1.00 C ATOM 182 O ILE A 11 -15.154 9.569 -8.690 1.00 1.00 O ATOM 183 CB ILE A 11 -16.853 7.671 -10.903 1.00 1.00 C ATOM 184 CG1 ILE A 11 -16.550 6.257 -11.416 1.00 1.00 C ATOM 185 CG2 ILE A 11 -16.048 8.711 -11.662 1.00 1.00 C ATOM 186 CD1 ILE A 11 -17.535 5.232 -10.904 1.00 1.00 C ATOM 0 H ILE A 11 -18.665 7.259 -9.297 1.00 1.00 H new ATOM 0 HA ILE A 11 -15.803 7.125 -9.089 1.00 1.00 H new ATOM 0 HB ILE A 11 -17.907 7.878 -11.089 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -16.566 6.258 -12.506 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -15.543 5.972 -11.112 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -16.232 8.604 -12.731 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -16.347 9.709 -11.340 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -14.986 8.568 -11.461 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -17.275 4.249 -11.297 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -17.502 5.208 -9.815 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -18.540 5.499 -11.230 1.00 1.00 H new ATOM 198 N GLN A 12 -17.342 10.023 -8.950 1.00 1.00 N ATOM 199 CA GLN A 12 -17.267 11.425 -8.583 1.00 1.00 C ATOM 200 C GLN A 12 -16.775 11.611 -7.144 1.00 1.00 C ATOM 201 O GLN A 12 -15.873 12.404 -6.882 1.00 1.00 O ATOM 202 CB GLN A 12 -18.673 12.012 -8.734 1.00 1.00 C ATOM 203 CG GLN A 12 -18.827 13.437 -8.240 1.00 1.00 C ATOM 204 CD GLN A 12 -20.239 13.953 -8.426 1.00 1.00 C ATOM 205 OE1 GLN A 12 -21.199 13.194 -8.433 1.00 1.00 O ATOM 206 NE2 GLN A 12 -20.378 15.251 -8.588 1.00 1.00 N ATOM 0 H GLN A 12 -18.285 9.715 -9.186 1.00 1.00 H new ATOM 0 HA GLN A 12 -16.552 11.933 -9.230 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -18.955 11.975 -9.786 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -19.376 11.378 -8.193 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -18.559 13.486 -7.184 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -18.131 14.083 -8.775 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -19.558 15.857 -8.577 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -21.306 15.651 -8.724 1.00 1.00 H new ATOM 215 N GLU A 13 -17.362 10.860 -6.226 1.00 1.00 N ATOM 216 CA GLU A 13 -17.016 10.968 -4.812 1.00 1.00 C ATOM 217 C GLU A 13 -15.658 10.388 -4.469 1.00 1.00 C ATOM 218 O GLU A 13 -14.835 11.040 -3.834 1.00 1.00 O ATOM 219 CB GLU A 13 -18.063 10.270 -3.952 1.00 1.00 C ATOM 220 CG GLU A 13 -19.354 11.049 -3.850 1.00 1.00 C ATOM 221 CD GLU A 13 -19.150 12.399 -3.195 1.00 1.00 C ATOM 222 OE1 GLU A 13 -19.222 12.468 -1.951 1.00 1.00 O ATOM 223 OE2 GLU A 13 -18.911 13.385 -3.926 1.00 1.00 O ATOM 0 H GLU A 13 -18.082 10.167 -6.432 1.00 1.00 H new ATOM 0 HA GLU A 13 -16.983 12.037 -4.604 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -18.271 9.285 -4.370 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -17.659 10.113 -2.952 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -19.773 11.189 -4.846 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -20.081 10.474 -3.276 1.00 1.00 H new ATOM 230 N PHE A 14 -15.398 9.174 -4.882 1.00 1.00 N ATOM 231 CA PHE A 14 -14.140 8.573 -4.499 1.00 1.00 C ATOM 232 C PHE A 14 -13.065 8.631 -5.602 1.00 1.00 C ATOM 233 O PHE A 14 -12.471 9.680 -5.832 1.00 1.00 O ATOM 234 CB PHE A 14 -14.367 7.137 -3.995 1.00 1.00 C ATOM 235 CG PHE A 14 -15.653 6.941 -3.211 1.00 1.00 C ATOM 236 CD1 PHE A 14 -15.940 7.727 -2.100 1.00 1.00 C ATOM 237 CD2 PHE A 14 -16.571 5.965 -3.582 1.00 1.00 C ATOM 238 CE1 PHE A 14 -17.101 7.531 -1.370 1.00 1.00 C ATOM 239 CE2 PHE A 14 -17.736 5.771 -2.855 1.00 1.00 C ATOM 240 CZ PHE A 14 -18.002 6.558 -1.753 1.00 1.00 C ATOM 0 H PHE A 14 -16.010 8.599 -5.460 1.00 1.00 H new ATOM 0 HA PHE A 14 -13.740 9.173 -3.682 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -14.371 6.462 -4.850 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.525 6.849 -3.366 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -15.248 8.501 -1.802 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -16.374 5.350 -4.448 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -17.301 8.140 -0.501 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -18.436 5.003 -3.151 1.00 1.00 H new ATOM 0 HZ PHE A 14 -18.913 6.413 -1.192 1.00 1.00 H new ATOM 250 N ALA A 15 -12.864 7.499 -6.281 1.00 1.00 N ATOM 251 CA ALA A 15 -11.818 7.326 -7.312 1.00 1.00 C ATOM 252 C ALA A 15 -10.536 8.087 -6.996 1.00 1.00 C ATOM 253 O ALA A 15 -10.290 9.177 -7.508 1.00 1.00 O ATOM 254 CB ALA A 15 -12.286 7.639 -8.729 1.00 1.00 C ATOM 0 H ALA A 15 -13.427 6.661 -6.134 1.00 1.00 H new ATOM 0 HA ALA A 15 -11.593 6.260 -7.280 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -11.462 7.488 -9.426 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -13.111 6.978 -8.994 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -12.620 8.675 -8.781 1.00 1.00 H new ATOM 260 N ARG A 16 -9.695 7.496 -6.170 1.00 1.00 N ATOM 261 CA ARG A 16 -8.444 8.155 -5.818 1.00 1.00 C ATOM 262 C ARG A 16 -7.295 7.584 -6.641 1.00 1.00 C ATOM 263 O ARG A 16 -6.123 7.876 -6.427 1.00 1.00 O ATOM 264 CB ARG A 16 -8.177 8.093 -4.319 1.00 1.00 C ATOM 265 CG ARG A 16 -9.288 8.750 -3.510 1.00 1.00 C ATOM 266 CD ARG A 16 -8.912 8.924 -2.039 1.00 1.00 C ATOM 267 NE ARG A 16 -7.813 9.885 -1.854 1.00 1.00 N ATOM 268 CZ ARG A 16 -7.352 10.290 -0.695 1.00 1.00 C ATOM 269 NH1 ARG A 16 -7.905 9.912 0.414 1.00 1.00 N ATOM 270 NH2 ARG A 16 -6.334 11.094 -0.661 1.00 1.00 N ATOM 0 H ARG A 16 -9.845 6.584 -5.737 1.00 1.00 H new ATOM 0 HA ARG A 16 -8.530 9.213 -6.065 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -8.073 7.052 -4.013 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -7.230 8.586 -4.100 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -9.520 9.724 -3.941 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -10.192 8.146 -3.582 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -9.785 9.262 -1.481 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -8.622 7.959 -1.624 1.00 1.00 H new ATOM 0 HE ARG A 16 -7.376 10.266 -2.693 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -8.713 9.289 0.395 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -7.533 10.237 1.306 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -5.900 11.405 -1.530 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -5.967 11.415 0.235 1.00 1.00 H new ATOM 284 N PHE A 17 -7.682 6.760 -7.583 1.00 1.00 N ATOM 285 CA PHE A 17 -6.793 6.145 -8.532 1.00 1.00 C ATOM 286 C PHE A 17 -7.670 5.670 -9.685 1.00 1.00 C ATOM 287 O PHE A 17 -8.831 5.323 -9.454 1.00 1.00 O ATOM 288 CB PHE A 17 -6.037 4.969 -7.898 1.00 1.00 C ATOM 289 CG PHE A 17 -4.697 4.683 -8.518 1.00 1.00 C ATOM 290 CD1 PHE A 17 -3.551 5.298 -8.038 1.00 1.00 C ATOM 291 CD2 PHE A 17 -4.582 3.792 -9.574 1.00 1.00 C ATOM 292 CE1 PHE A 17 -2.317 5.028 -8.598 1.00 1.00 C ATOM 293 CE2 PHE A 17 -3.350 3.518 -10.138 1.00 1.00 C ATOM 294 CZ PHE A 17 -2.216 4.140 -9.650 1.00 1.00 C ATOM 0 H PHE A 17 -8.657 6.491 -7.713 1.00 1.00 H new ATOM 0 HA PHE A 17 -6.034 6.849 -8.875 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -5.896 5.174 -6.837 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -6.655 4.074 -7.971 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -3.624 5.996 -7.217 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -5.466 3.306 -9.961 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -1.432 5.512 -8.213 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -3.274 2.819 -10.958 1.00 1.00 H new ATOM 0 HZ PHE A 17 -1.253 3.931 -10.091 1.00 1.00 H new ATOM 304 N PRO A 18 -7.212 5.741 -10.937 1.00 1.00 N ATOM 305 CA PRO A 18 -8.004 5.251 -12.065 1.00 1.00 C ATOM 306 C PRO A 18 -8.444 3.805 -11.847 1.00 1.00 C ATOM 307 O PRO A 18 -7.639 2.879 -11.898 1.00 1.00 O ATOM 308 CB PRO A 18 -7.061 5.363 -13.265 1.00 1.00 C ATOM 309 CG PRO A 18 -5.712 5.655 -12.690 1.00 1.00 C ATOM 310 CD PRO A 18 -5.950 6.336 -11.372 1.00 1.00 C ATOM 0 HA PRO A 18 -8.923 5.821 -12.202 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -7.049 4.438 -13.842 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -7.379 6.157 -13.941 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -5.141 4.737 -12.555 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -5.135 6.294 -13.359 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.144 6.144 -10.664 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.027 7.418 -11.481 1.00 1.00 H new ATOM 318 N GLY A 19 -9.724 3.632 -11.571 1.00 1.00 N ATOM 319 CA GLY A 19 -10.255 2.309 -11.313 1.00 1.00 C ATOM 320 C GLY A 19 -10.578 2.119 -9.844 1.00 1.00 C ATOM 321 O GLY A 19 -11.503 1.385 -9.489 1.00 1.00 O ATOM 0 H GLY A 19 -10.409 4.386 -11.520 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -11.155 2.154 -11.908 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -9.531 1.557 -11.628 1.00 1.00 H new ATOM 325 N ASP A 20 -9.879 2.853 -8.982 1.00 1.00 N ATOM 326 CA ASP A 20 -10.102 2.718 -7.550 1.00 1.00 C ATOM 327 C ASP A 20 -11.116 3.731 -7.084 1.00 1.00 C ATOM 328 O ASP A 20 -10.833 4.699 -6.364 1.00 1.00 O ATOM 329 CB ASP A 20 -8.822 2.774 -6.727 1.00 1.00 C ATOM 330 CG ASP A 20 -8.039 1.481 -6.816 1.00 1.00 C ATOM 331 OD1 ASP A 20 -7.486 1.194 -7.893 1.00 1.00 O ATOM 332 OD2 ASP A 20 -7.986 0.745 -5.801 1.00 1.00 O ATOM 0 H ASP A 20 -9.167 3.534 -9.245 1.00 1.00 H new ATOM 0 HA ASP A 20 -10.502 1.718 -7.383 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -8.201 3.599 -7.076 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -9.068 2.979 -5.685 1.00 1.00 H new ATOM 337 N THR A 21 -12.299 3.510 -7.598 1.00 1.00 N ATOM 338 CA THR A 21 -13.465 4.277 -7.275 1.00 1.00 C ATOM 339 C THR A 21 -14.342 3.423 -6.379 1.00 1.00 C ATOM 340 O THR A 21 -14.706 3.803 -5.272 1.00 1.00 O ATOM 341 CB THR A 21 -14.240 4.687 -8.549 1.00 1.00 C ATOM 342 OG1 THR A 21 -15.549 5.135 -8.200 1.00 1.00 O ATOM 343 CG2 THR A 21 -14.349 3.539 -9.559 1.00 1.00 C ATOM 0 H THR A 21 -12.478 2.767 -8.274 1.00 1.00 H new ATOM 0 HA THR A 21 -13.172 5.197 -6.769 1.00 1.00 H new ATOM 0 HB THR A 21 -13.679 5.493 -9.021 1.00 1.00 H new ATOM 0 HG1 THR A 21 -15.482 5.871 -7.556 1.00 1.00 H new ATOM 0 HG21 THR A 21 -14.902 3.877 -10.436 1.00 1.00 H new ATOM 0 HG22 THR A 21 -13.350 3.223 -9.859 1.00 1.00 H new ATOM 0 HG23 THR A 21 -14.873 2.700 -9.101 1.00 1.00 H new ATOM 351 N GLY A 22 -14.579 2.211 -6.842 1.00 1.00 N ATOM 352 CA GLY A 22 -15.377 1.267 -6.104 1.00 1.00 C ATOM 353 C GLY A 22 -14.533 0.093 -5.705 1.00 1.00 C ATOM 354 O GLY A 22 -14.912 -1.066 -5.825 1.00 1.00 O ATOM 0 H GLY A 22 -14.225 1.861 -7.732 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -15.795 1.744 -5.218 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -16.217 0.933 -6.712 1.00 1.00 H new ATOM 358 N SER A 23 -13.365 0.418 -5.233 1.00 1.00 N ATOM 359 CA SER A 23 -12.409 -0.558 -4.799 1.00 1.00 C ATOM 360 C SER A 23 -12.501 -0.580 -3.290 1.00 1.00 C ATOM 361 O SER A 23 -11.667 0.010 -2.617 1.00 1.00 O ATOM 362 CB SER A 23 -11.028 -0.111 -5.291 1.00 1.00 C ATOM 363 OG SER A 23 -10.023 -1.079 -5.064 1.00 1.00 O ATOM 0 H SER A 23 -13.045 1.382 -5.137 1.00 1.00 H new ATOM 0 HA SER A 23 -12.590 -1.559 -5.190 1.00 1.00 H new ATOM 0 HB2 SER A 23 -11.081 0.107 -6.358 1.00 1.00 H new ATOM 0 HB3 SER A 23 -10.752 0.817 -4.789 1.00 1.00 H new ATOM 0 HG SER A 23 -9.145 -0.690 -5.258 1.00 1.00 H new ATOM 369 N THR A 24 -13.548 -1.239 -2.750 1.00 1.00 N ATOM 370 CA THR A 24 -13.784 -1.186 -1.300 1.00 1.00 C ATOM 371 C THR A 24 -13.833 0.282 -0.984 1.00 1.00 C ATOM 372 O THR A 24 -13.213 0.820 -0.060 1.00 1.00 O ATOM 373 CB THR A 24 -12.684 -1.894 -0.526 1.00 1.00 C ATOM 374 OG1 THR A 24 -12.436 -3.157 -1.142 1.00 1.00 O ATOM 375 CG2 THR A 24 -13.049 -2.078 0.932 1.00 1.00 C ATOM 0 H THR A 24 -14.220 -1.795 -3.279 1.00 1.00 H new ATOM 0 HA THR A 24 -14.702 -1.698 -1.012 1.00 1.00 H new ATOM 0 HB THR A 24 -11.784 -1.279 -0.551 1.00 1.00 H new ATOM 0 HG1 THR A 24 -11.727 -3.625 -0.654 1.00 1.00 H new ATOM 0 HG21 THR A 24 -12.236 -2.588 1.449 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.216 -1.104 1.391 1.00 1.00 H new ATOM 0 HG23 THR A 24 -13.958 -2.675 1.007 1.00 1.00 H new ATOM 383 N GLU A 25 -14.528 0.891 -1.919 1.00 1.00 N ATOM 384 CA GLU A 25 -14.751 2.302 -2.047 1.00 1.00 C ATOM 385 C GLU A 25 -13.479 3.122 -1.942 1.00 1.00 C ATOM 386 O GLU A 25 -12.392 2.715 -2.364 1.00 1.00 O ATOM 387 CB GLU A 25 -15.809 2.820 -1.070 1.00 1.00 C ATOM 388 CG GLU A 25 -17.089 2.003 -1.069 1.00 1.00 C ATOM 389 CD GLU A 25 -18.221 2.730 -0.376 1.00 1.00 C ATOM 390 OE1 GLU A 25 -18.047 3.112 0.796 1.00 1.00 O ATOM 391 OE2 GLU A 25 -19.282 2.940 -1.012 1.00 1.00 O ATOM 0 H GLU A 25 -14.985 0.365 -2.664 1.00 1.00 H new ATOM 0 HA GLU A 25 -15.135 2.435 -3.058 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.390 2.825 -0.064 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -16.048 3.853 -1.321 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -17.377 1.778 -2.096 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -16.911 1.050 -0.571 1.00 1.00 H new ATOM 398 N VAL A 26 -13.647 4.294 -1.398 1.00 1.00 N ATOM 399 CA VAL A 26 -12.582 5.246 -1.223 1.00 1.00 C ATOM 400 C VAL A 26 -11.512 4.779 -0.225 1.00 1.00 C ATOM 401 O VAL A 26 -10.441 5.370 -0.156 1.00 1.00 O ATOM 402 CB VAL A 26 -13.204 6.573 -0.746 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.723 6.442 0.682 1.00 1.00 C ATOM 404 CG2 VAL A 26 -12.237 7.736 -0.884 1.00 1.00 C ATOM 0 H VAL A 26 -14.549 4.624 -1.055 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.072 5.365 -2.179 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.052 6.792 -1.395 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.158 7.390 0.999 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.483 5.662 0.723 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.899 6.181 1.346 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -12.717 8.651 -0.536 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -11.347 7.542 -0.285 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -11.952 7.850 -1.930 1.00 1.00 H new ATOM 414 N GLN A 27 -11.757 3.687 0.499 1.00 1.00 N ATOM 415 CA GLN A 27 -10.779 3.244 1.500 1.00 1.00 C ATOM 416 C GLN A 27 -9.626 2.497 0.852 1.00 1.00 C ATOM 417 O GLN A 27 -8.464 2.773 1.138 1.00 1.00 O ATOM 418 CB GLN A 27 -11.413 2.413 2.603 1.00 1.00 C ATOM 419 CG GLN A 27 -12.621 3.076 3.236 1.00 1.00 C ATOM 420 CD GLN A 27 -13.098 2.333 4.461 1.00 1.00 C ATOM 421 OE1 GLN A 27 -12.309 1.765 5.199 1.00 1.00 O ATOM 422 NE2 GLN A 27 -14.393 2.317 4.682 1.00 1.00 N ATOM 0 H GLN A 27 -12.593 3.108 0.419 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.382 4.145 1.968 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.710 1.447 2.195 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -10.668 2.218 3.375 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.370 4.101 3.509 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -13.429 3.129 2.507 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -15.025 2.802 4.045 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -14.766 1.819 5.490 1.00 1.00 H new ATOM 431 N VAL A 28 -9.919 1.535 -0.001 1.00 1.00 N ATOM 432 CA VAL A 28 -8.842 0.881 -0.704 1.00 1.00 C ATOM 433 C VAL A 28 -8.311 1.877 -1.724 1.00 1.00 C ATOM 434 O VAL A 28 -7.140 1.866 -2.079 1.00 1.00 O ATOM 435 CB VAL A 28 -9.265 -0.431 -1.371 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.193 -0.955 -2.307 1.00 1.00 C ATOM 437 CG2 VAL A 28 -9.580 -1.461 -0.310 1.00 1.00 C ATOM 0 H VAL A 28 -10.858 1.201 -0.217 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.068 0.592 0.007 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.155 -0.236 -1.969 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -8.530 -1.887 -2.761 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.001 -0.220 -3.088 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.276 -1.136 -1.746 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -9.881 -2.394 -0.787 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.695 -1.635 0.302 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -10.391 -1.097 0.320 1.00 1.00 H new ATOM 447 N ALA A 29 -9.189 2.780 -2.163 1.00 1.00 N ATOM 448 CA ALA A 29 -8.778 3.831 -3.072 1.00 1.00 C ATOM 449 C ALA A 29 -7.699 4.679 -2.407 1.00 1.00 C ATOM 450 O ALA A 29 -6.729 5.086 -3.037 1.00 1.00 O ATOM 451 CB ALA A 29 -9.946 4.713 -3.466 1.00 1.00 C ATOM 0 H ALA A 29 -10.175 2.799 -1.903 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.387 3.366 -3.977 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.601 5.490 -4.148 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.708 4.109 -3.959 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.370 5.175 -2.574 1.00 1.00 H new ATOM 457 N LEU A 30 -7.868 4.939 -1.118 1.00 1.00 N ATOM 458 CA LEU A 30 -6.883 5.716 -0.389 1.00 1.00 C ATOM 459 C LEU A 30 -5.666 4.844 -0.037 1.00 1.00 C ATOM 460 O LEU A 30 -4.541 5.334 0.034 1.00 1.00 O ATOM 461 CB LEU A 30 -7.519 6.407 0.844 1.00 1.00 C ATOM 462 CG LEU A 30 -7.902 5.534 2.062 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.697 5.188 2.934 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.952 6.256 2.903 1.00 1.00 C ATOM 0 H LEU A 30 -8.666 4.628 -0.565 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.518 6.520 -1.028 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.825 7.173 1.190 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.419 6.921 0.508 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.305 4.598 1.676 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -7.020 4.574 3.775 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.966 4.637 2.342 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.243 6.106 3.308 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -9.219 5.638 3.760 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -8.548 7.206 3.253 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.839 6.440 2.297 1.00 1.00 H new ATOM 476 N LEU A 31 -5.882 3.541 0.115 1.00 1.00 N ATOM 477 CA LEU A 31 -4.793 2.627 0.428 1.00 1.00 C ATOM 478 C LEU A 31 -3.922 2.426 -0.831 1.00 1.00 C ATOM 479 O LEU A 31 -2.693 2.387 -0.756 1.00 1.00 O ATOM 480 CB LEU A 31 -5.365 1.336 1.055 1.00 1.00 C ATOM 481 CG LEU A 31 -5.606 0.087 0.167 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.319 -0.565 -0.316 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.415 -0.924 0.959 1.00 1.00 C ATOM 0 H LEU A 31 -6.796 3.098 0.027 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.122 3.036 1.184 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.691 1.038 1.858 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.317 1.594 1.518 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.142 0.418 -0.722 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.559 -1.432 -0.931 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.747 0.151 -0.906 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.727 -0.882 0.543 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.592 -1.808 0.347 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.865 -1.208 1.856 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.370 -0.483 1.244 1.00 1.00 H new ATOM 495 N THR A 32 -4.575 2.349 -1.988 1.00 1.00 N ATOM 496 CA THR A 32 -3.885 2.242 -3.280 1.00 1.00 C ATOM 497 C THR A 32 -3.030 3.493 -3.501 1.00 1.00 C ATOM 498 O THR A 32 -1.861 3.405 -3.879 1.00 1.00 O ATOM 499 CB THR A 32 -4.903 2.100 -4.436 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.611 0.859 -4.312 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.222 2.166 -5.797 1.00 1.00 C ATOM 0 H THR A 32 -5.592 2.359 -2.061 1.00 1.00 H new ATOM 0 HA THR A 32 -3.252 1.355 -3.267 1.00 1.00 H new ATOM 0 HB THR A 32 -5.601 2.934 -4.368 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.426 0.892 -4.855 1.00 1.00 H new ATOM 0 HG21 THR A 32 -4.970 2.063 -6.583 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.714 3.124 -5.903 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.495 1.358 -5.879 1.00 1.00 H new ATOM 509 N LEU A 33 -3.615 4.661 -3.229 1.00 1.00 N ATOM 510 CA LEU A 33 -2.900 5.930 -3.360 1.00 1.00 C ATOM 511 C LEU A 33 -1.761 5.996 -2.336 1.00 1.00 C ATOM 512 O LEU A 33 -0.720 6.607 -2.580 1.00 1.00 O ATOM 513 CB LEU A 33 -3.864 7.102 -3.184 1.00 1.00 C ATOM 514 CG LEU A 33 -3.246 8.498 -3.305 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.662 8.720 -4.693 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.291 9.556 -2.997 1.00 1.00 C ATOM 0 H LEU A 33 -4.582 4.753 -2.917 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.469 5.996 -4.359 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.656 7.011 -3.927 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.334 7.017 -2.204 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.434 8.577 -2.582 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.230 9.719 -4.750 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -1.887 7.978 -4.885 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.450 8.622 -5.439 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.843 10.546 -3.085 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.117 9.467 -3.702 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.663 9.415 -1.982 1.00 1.00 H new ATOM 528 N ARG A 34 -1.963 5.373 -1.176 1.00 1.00 N ATOM 529 CA ARG A 34 -0.907 5.317 -0.175 1.00 1.00 C ATOM 530 C ARG A 34 0.252 4.482 -0.739 1.00 1.00 C ATOM 531 O ARG A 34 1.395 4.923 -0.721 1.00 1.00 O ATOM 532 CB ARG A 34 -1.403 4.732 1.151 1.00 1.00 C ATOM 533 CG ARG A 34 -0.351 4.760 2.253 1.00 1.00 C ATOM 534 CD ARG A 34 0.107 6.189 2.563 1.00 1.00 C ATOM 535 NE ARG A 34 -1.018 7.040 2.981 1.00 1.00 N ATOM 536 CZ ARG A 34 -1.024 8.351 2.983 1.00 1.00 C ATOM 537 NH1 ARG A 34 -0.010 9.035 2.553 1.00 1.00 N ATOM 538 NH2 ARG A 34 -2.079 8.973 3.415 1.00 1.00 N ATOM 0 H ARG A 34 -2.832 4.909 -0.912 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.571 6.331 0.041 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -2.280 5.290 1.481 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.722 3.702 0.989 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.758 4.304 3.156 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.508 4.160 1.952 1.00 1.00 H new ATOM 0 HD2 ARG A 34 0.860 6.167 3.351 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.581 6.619 1.681 1.00 1.00 H new ATOM 0 HE ARG A 34 -1.866 6.570 3.296 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.818 8.554 2.202 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.040 10.054 2.565 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -2.885 8.442 3.745 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -2.102 9.993 3.424 1.00 1.00 H new ATOM 552 N ILE A 35 -0.067 3.286 -1.268 1.00 1.00 N ATOM 553 CA ILE A 35 0.943 2.415 -1.899 1.00 1.00 C ATOM 554 C ILE A 35 1.647 3.200 -3.006 1.00 1.00 C ATOM 555 O ILE A 35 2.872 3.218 -3.119 1.00 1.00 O ATOM 556 CB ILE A 35 0.296 1.157 -2.548 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.416 0.297 -1.502 1.00 1.00 C ATOM 558 CG2 ILE A 35 1.337 0.328 -3.297 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.127 -0.911 -2.087 1.00 1.00 C ATOM 0 H ILE A 35 -1.012 2.902 -1.271 1.00 1.00 H new ATOM 0 HA ILE A 35 1.638 2.094 -1.124 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.447 1.506 -3.265 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.313 -0.043 -0.766 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.142 0.913 -0.971 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.857 -0.544 -3.740 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.787 0.934 -4.084 1.00 1.00 H new ATOM 0 HG23 ILE A 35 2.111 0.002 -2.602 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.609 -1.473 -1.287 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -1.880 -0.579 -2.801 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.403 -1.549 -2.593 1.00 1.00 H new ATOM 571 N ASN A 36 0.815 3.864 -3.796 1.00 1.00 N ATOM 572 CA ASN A 36 1.227 4.698 -4.918 1.00 1.00 C ATOM 573 C ASN A 36 2.303 5.718 -4.539 1.00 1.00 C ATOM 574 O ASN A 36 3.436 5.644 -5.008 1.00 1.00 O ATOM 575 CB ASN A 36 -0.015 5.445 -5.421 1.00 1.00 C ATOM 576 CG ASN A 36 0.229 6.313 -6.639 1.00 1.00 C ATOM 577 OD1 ASN A 36 -0.306 7.411 -6.743 1.00 1.00 O ATOM 578 ND2 ASN A 36 1.010 5.826 -7.579 1.00 1.00 N ATOM 0 H ASN A 36 -0.197 3.837 -3.670 1.00 1.00 H new ATOM 0 HA ASN A 36 1.659 4.053 -5.683 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.791 4.717 -5.658 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.400 6.070 -4.615 1.00 1.00 H new ATOM 0 HD21 ASN A 36 1.186 6.366 -8.426 1.00 1.00 H new ATOM 0 HD22 ASN A 36 1.440 4.909 -7.460 1.00 1.00 H new ATOM 585 N ARG A 37 1.965 6.627 -3.636 1.00 1.00 N ATOM 586 CA ARG A 37 2.897 7.691 -3.268 1.00 1.00 C ATOM 587 C ARG A 37 4.005 7.176 -2.354 1.00 1.00 C ATOM 588 O ARG A 37 5.055 7.803 -2.222 1.00 1.00 O ATOM 589 CB ARG A 37 2.152 8.858 -2.628 1.00 1.00 C ATOM 590 CG ARG A 37 1.047 9.432 -3.515 1.00 1.00 C ATOM 591 CD ARG A 37 1.562 9.929 -4.876 1.00 1.00 C ATOM 592 NE ARG A 37 0.503 10.612 -5.648 1.00 1.00 N ATOM 593 CZ ARG A 37 0.664 11.142 -6.841 1.00 1.00 C ATOM 594 NH1 ARG A 37 1.732 10.920 -7.532 1.00 1.00 N ATOM 595 NH2 ARG A 37 -0.307 11.825 -7.376 1.00 1.00 N ATOM 0 H ARG A 37 1.069 6.653 -3.150 1.00 1.00 H new ATOM 0 HA ARG A 37 3.373 8.049 -4.181 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.716 8.528 -1.685 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.864 9.648 -2.391 1.00 1.00 H new ATOM 0 HG2 ARG A 37 0.287 8.668 -3.678 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.563 10.257 -2.993 1.00 1.00 H new ATOM 0 HD2 ARG A 37 2.397 10.612 -4.721 1.00 1.00 H new ATOM 0 HD3 ARG A 37 1.943 9.085 -5.450 1.00 1.00 H new ATOM 0 HE ARG A 37 -0.422 10.677 -5.224 1.00 1.00 H new ATOM 0 HH11 ARG A 37 2.469 10.325 -7.154 1.00 1.00 H new ATOM 0 HH12 ARG A 37 1.838 11.340 -8.455 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -1.185 11.946 -6.870 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -0.190 12.239 -8.301 1.00 1.00 H new ATOM 609 N LEU A 38 3.768 6.025 -1.729 1.00 1.00 N ATOM 610 CA LEU A 38 4.760 5.403 -0.874 1.00 1.00 C ATOM 611 C LEU A 38 5.862 4.865 -1.759 1.00 1.00 C ATOM 612 O LEU A 38 7.047 5.075 -1.518 1.00 1.00 O ATOM 613 CB LEU A 38 4.121 4.256 -0.092 1.00 1.00 C ATOM 614 CG LEU A 38 5.038 3.525 0.890 1.00 1.00 C ATOM 615 CD1 LEU A 38 5.447 4.443 2.031 1.00 1.00 C ATOM 616 CD2 LEU A 38 4.344 2.282 1.429 1.00 1.00 C ATOM 0 H LEU A 38 2.892 5.507 -1.803 1.00 1.00 H new ATOM 0 HA LEU A 38 5.160 6.128 -0.165 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.268 4.650 0.461 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.731 3.529 -0.804 1.00 1.00 H new ATOM 0 HG LEU A 38 5.940 3.221 0.359 1.00 1.00 H new ATOM 0 HD11 LEU A 38 6.099 3.902 2.717 1.00 1.00 H new ATOM 0 HD12 LEU A 38 5.978 5.307 1.631 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.558 4.779 2.564 1.00 1.00 H new ATOM 0 HD21 LEU A 38 5.006 1.769 2.127 1.00 1.00 H new ATOM 0 HD22 LEU A 38 3.428 2.571 1.944 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.101 1.614 0.603 1.00 1.00 H new ATOM 628 N SER A 39 5.437 4.195 -2.813 1.00 1.00 N ATOM 629 CA SER A 39 6.353 3.631 -3.783 1.00 1.00 C ATOM 630 C SER A 39 7.160 4.741 -4.466 1.00 1.00 C ATOM 631 O SER A 39 8.359 4.609 -4.651 1.00 1.00 O ATOM 632 CB SER A 39 5.577 2.816 -4.822 1.00 1.00 C ATOM 633 OG SER A 39 6.448 2.069 -5.656 1.00 1.00 O ATOM 0 H SER A 39 4.452 4.027 -3.020 1.00 1.00 H new ATOM 0 HA SER A 39 7.049 2.970 -3.267 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.889 2.140 -4.315 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.973 3.486 -5.433 1.00 1.00 H new ATOM 0 HG SER A 39 6.938 1.415 -5.115 1.00 1.00 H new ATOM 639 N GLU A 40 6.510 5.867 -4.780 1.00 1.00 N ATOM 640 CA GLU A 40 7.206 6.986 -5.444 1.00 1.00 C ATOM 641 C GLU A 40 8.176 7.669 -4.499 1.00 1.00 C ATOM 642 O GLU A 40 9.200 8.220 -4.910 1.00 1.00 O ATOM 643 CB GLU A 40 6.221 8.027 -5.944 1.00 1.00 C ATOM 644 CG GLU A 40 5.260 7.478 -6.962 1.00 1.00 C ATOM 645 CD GLU A 40 4.494 8.577 -7.661 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.027 9.149 -8.633 1.00 1.00 O ATOM 647 OE2 GLU A 40 3.365 8.885 -7.222 1.00 1.00 O ATOM 0 H GLU A 40 5.521 6.031 -4.591 1.00 1.00 H new ATOM 0 HA GLU A 40 7.751 6.558 -6.286 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.660 8.425 -5.099 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.771 8.860 -6.382 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.808 6.891 -7.699 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.559 6.801 -6.473 1.00 1.00 H new ATOM 654 N HIS A 41 7.839 7.639 -3.223 1.00 1.00 N ATOM 655 CA HIS A 41 8.659 8.236 -2.206 1.00 1.00 C ATOM 656 C HIS A 41 9.881 7.356 -1.960 1.00 1.00 C ATOM 657 O HIS A 41 11.017 7.815 -2.008 1.00 1.00 O ATOM 658 CB HIS A 41 7.818 8.365 -0.935 1.00 1.00 C ATOM 659 CG HIS A 41 8.416 9.214 0.144 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.064 10.524 0.365 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.326 8.906 1.104 1.00 1.00 C ATOM 662 CE1 HIS A 41 8.749 10.964 1.426 1.00 1.00 C ATOM 663 NE2 HIS A 41 9.528 10.021 1.911 1.00 1.00 N ATOM 0 H HIS A 41 6.989 7.199 -2.871 1.00 1.00 H new ATOM 0 HA HIS A 41 9.006 9.222 -2.515 1.00 1.00 H new ATOM 0 HB2 HIS A 41 6.846 8.778 -1.203 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.641 7.367 -0.533 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.814 7.950 1.222 1.00 1.00 H new ATOM 0 HE1 HIS A 41 8.673 11.962 1.831 1.00 1.00 H new ATOM 0 HE2 HIS A 41 10.152 10.093 2.714 1.00 1.00 H new ATOM 671 N LEU A 42 9.624 6.067 -1.779 1.00 1.00 N ATOM 672 CA LEU A 42 10.672 5.090 -1.496 1.00 1.00 C ATOM 673 C LEU A 42 11.451 4.676 -2.763 1.00 1.00 C ATOM 674 O LEU A 42 12.403 3.902 -2.701 1.00 1.00 O ATOM 675 CB LEU A 42 10.054 3.880 -0.795 1.00 1.00 C ATOM 676 CG LEU A 42 9.820 4.047 0.720 1.00 1.00 C ATOM 677 CD1 LEU A 42 8.877 5.204 1.036 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.268 2.768 1.317 1.00 1.00 C ATOM 0 H LEU A 42 8.686 5.668 -1.824 1.00 1.00 H new ATOM 0 HA LEU A 42 11.405 5.554 -0.836 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.100 3.653 -1.271 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.702 3.018 -0.953 1.00 1.00 H new ATOM 0 HG LEU A 42 10.789 4.273 1.165 1.00 1.00 H new ATOM 0 HD11 LEU A 42 8.744 5.281 2.115 1.00 1.00 H new ATOM 0 HD12 LEU A 42 9.301 6.133 0.656 1.00 1.00 H new ATOM 0 HD13 LEU A 42 7.911 5.026 0.563 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.109 2.905 2.387 1.00 1.00 H new ATOM 0 HD22 LEU A 42 8.320 2.522 0.838 1.00 1.00 H new ATOM 0 HD23 LEU A 42 9.977 1.956 1.156 1.00 1.00 H new ATOM 690 N LYS A 43 11.023 5.192 -3.909 1.00 1.00 N ATOM 691 CA LYS A 43 11.707 4.962 -5.190 1.00 1.00 C ATOM 692 C LYS A 43 12.897 5.925 -5.276 1.00 1.00 C ATOM 693 O LYS A 43 13.659 5.966 -6.247 1.00 1.00 O ATOM 694 CB LYS A 43 10.712 5.202 -6.315 1.00 1.00 C ATOM 695 CG LYS A 43 11.198 4.820 -7.699 1.00 1.00 C ATOM 696 CD LYS A 43 10.077 4.999 -8.708 1.00 1.00 C ATOM 697 CE LYS A 43 10.499 4.612 -10.115 1.00 1.00 C ATOM 698 NZ LYS A 43 10.818 3.162 -10.232 1.00 1.00 N ATOM 0 H LYS A 43 10.194 5.782 -3.984 1.00 1.00 H new ATOM 0 HA LYS A 43 12.079 3.941 -5.272 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.802 4.642 -6.099 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.442 6.258 -6.321 1.00 1.00 H new ATOM 0 HG2 LYS A 43 12.052 5.438 -7.977 1.00 1.00 H new ATOM 0 HG3 LYS A 43 11.539 3.785 -7.701 1.00 1.00 H new ATOM 0 HD2 LYS A 43 9.222 4.393 -8.408 1.00 1.00 H new ATOM 0 HD3 LYS A 43 9.749 6.039 -8.703 1.00 1.00 H new ATOM 0 HE2 LYS A 43 9.701 4.863 -10.813 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.371 5.198 -10.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 10.968 2.919 -11.232 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 11.681 2.952 -9.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 10.028 2.601 -9.855 1.00 1.00 H new ATOM 712 N VAL A 44 13.009 6.704 -4.211 1.00 1.00 N ATOM 713 CA VAL A 44 14.058 7.680 -4.003 1.00 1.00 C ATOM 714 C VAL A 44 14.596 7.436 -2.601 1.00 1.00 C ATOM 715 O VAL A 44 15.797 7.260 -2.382 1.00 1.00 O ATOM 716 CB VAL A 44 13.527 9.129 -4.105 1.00 1.00 C ATOM 717 CG1 VAL A 44 14.638 10.131 -3.837 1.00 1.00 C ATOM 718 CG2 VAL A 44 12.893 9.390 -5.465 1.00 1.00 C ATOM 0 H VAL A 44 12.343 6.669 -3.439 1.00 1.00 H new ATOM 0 HA VAL A 44 14.826 7.570 -4.769 1.00 1.00 H new ATOM 0 HB VAL A 44 12.757 9.253 -3.344 1.00 1.00 H new ATOM 0 HG11 VAL A 44 14.241 11.143 -3.914 1.00 1.00 H new ATOM 0 HG12 VAL A 44 15.037 9.973 -2.835 1.00 1.00 H new ATOM 0 HG13 VAL A 44 15.434 9.996 -4.569 1.00 1.00 H new ATOM 0 HG21 VAL A 44 12.529 10.417 -5.506 1.00 1.00 H new ATOM 0 HG22 VAL A 44 13.636 9.237 -6.248 1.00 1.00 H new ATOM 0 HG23 VAL A 44 12.060 8.704 -5.616 1.00 1.00 H new ATOM 728 N HIS A 45 13.662 7.390 -1.656 1.00 1.00 N ATOM 729 CA HIS A 45 13.976 7.111 -0.267 1.00 1.00 C ATOM 730 C HIS A 45 14.160 5.614 -0.080 1.00 1.00 C ATOM 731 O HIS A 45 13.249 4.890 0.321 1.00 1.00 O ATOM 732 CB HIS A 45 12.877 7.623 0.654 1.00 1.00 C ATOM 733 CG HIS A 45 12.831 9.110 0.749 1.00 1.00 C ATOM 734 ND1 HIS A 45 13.142 9.808 1.889 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.501 10.042 -0.182 1.00 1.00 C ATOM 736 CE1 HIS A 45 12.992 11.108 1.632 1.00 1.00 C ATOM 737 NE2 HIS A 45 12.605 11.307 0.386 1.00 1.00 N ATOM 0 H HIS A 45 12.670 7.545 -1.835 1.00 1.00 H new ATOM 0 HA HIS A 45 14.900 7.627 -0.008 1.00 1.00 H new ATOM 0 HB2 HIS A 45 11.914 7.259 0.296 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.025 7.207 1.651 1.00 1.00 H new ATOM 0 HD1 HIS A 45 13.436 9.403 2.778 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.205 9.834 -1.200 1.00 1.00 H new ATOM 0 HE1 HIS A 45 13.165 11.896 2.350 1.00 1.00 H new ATOM 745 N LYS A 46 15.335 5.162 -0.436 1.00 1.00 N ATOM 746 CA LYS A 46 15.697 3.763 -0.321 1.00 1.00 C ATOM 747 C LYS A 46 16.946 3.642 0.540 1.00 1.00 C ATOM 748 O LYS A 46 17.658 2.641 0.520 1.00 1.00 O ATOM 749 CB LYS A 46 15.929 3.177 -1.714 1.00 1.00 C ATOM 750 CG LYS A 46 17.004 3.908 -2.515 1.00 1.00 C ATOM 751 CD LYS A 46 17.119 3.375 -3.940 1.00 1.00 C ATOM 752 CE LYS A 46 17.520 1.903 -3.984 1.00 1.00 C ATOM 753 NZ LYS A 46 18.844 1.649 -3.344 1.00 1.00 N ATOM 0 H LYS A 46 16.075 5.753 -0.816 1.00 1.00 H new ATOM 0 HA LYS A 46 14.891 3.203 0.153 1.00 1.00 H new ATOM 0 HB2 LYS A 46 16.211 2.129 -1.615 1.00 1.00 H new ATOM 0 HB3 LYS A 46 14.992 3.204 -2.271 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.773 4.973 -2.544 1.00 1.00 H new ATOM 0 HG3 LYS A 46 17.965 3.804 -2.011 1.00 1.00 H new ATOM 0 HD2 LYS A 46 16.164 3.503 -4.450 1.00 1.00 H new ATOM 0 HD3 LYS A 46 17.855 3.965 -4.487 1.00 1.00 H new ATOM 0 HE2 LYS A 46 16.758 1.308 -3.482 1.00 1.00 H new ATOM 0 HE3 LYS A 46 17.552 1.570 -5.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 19.123 0.660 -3.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 19.557 2.282 -3.759 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 18.775 1.828 -2.322 1.00 1.00 H new ATOM 767 N LYS A 47 17.198 4.708 1.278 1.00 1.00 N ATOM 768 CA LYS A 47 18.347 4.802 2.171 1.00 1.00 C ATOM 769 C LYS A 47 17.852 4.826 3.604 1.00 1.00 C ATOM 770 O LYS A 47 18.353 4.140 4.493 1.00 1.00 O ATOM 771 CB LYS A 47 19.089 6.107 1.881 1.00 1.00 C ATOM 772 CG LYS A 47 19.368 6.333 0.406 1.00 1.00 C ATOM 773 CD LYS A 47 19.958 7.710 0.147 1.00 1.00 C ATOM 774 CE LYS A 47 20.139 7.952 -1.343 1.00 1.00 C ATOM 775 NZ LYS A 47 20.701 9.299 -1.635 1.00 1.00 N ATOM 0 H LYS A 47 16.609 5.541 1.277 1.00 1.00 H new ATOM 0 HA LYS A 47 19.012 3.951 2.020 1.00 1.00 H new ATOM 0 HB2 LYS A 47 18.501 6.942 2.263 1.00 1.00 H new ATOM 0 HB3 LYS A 47 20.034 6.107 2.425 1.00 1.00 H new ATOM 0 HG2 LYS A 47 20.057 5.569 0.045 1.00 1.00 H new ATOM 0 HG3 LYS A 47 18.443 6.222 -0.160 1.00 1.00 H new ATOM 0 HD2 LYS A 47 19.304 8.475 0.567 1.00 1.00 H new ATOM 0 HD3 LYS A 47 20.919 7.799 0.653 1.00 1.00 H new ATOM 0 HE2 LYS A 47 20.799 7.189 -1.755 1.00 1.00 H new ATOM 0 HE3 LYS A 47 19.177 7.846 -1.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 20.806 9.416 -2.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 20.059 10.030 -1.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 21.631 9.393 -1.179 1.00 1.00 H new ATOM 789 N ASP A 48 16.849 5.656 3.776 1.00 1.00 N ATOM 790 CA ASP A 48 16.176 5.876 5.036 1.00 1.00 C ATOM 791 C ASP A 48 14.926 5.009 5.132 1.00 1.00 C ATOM 792 O ASP A 48 14.416 4.728 6.216 1.00 1.00 O ATOM 793 CB ASP A 48 15.792 7.349 5.100 1.00 1.00 C ATOM 794 CG ASP A 48 15.013 7.787 3.866 1.00 1.00 C ATOM 795 OD1 ASP A 48 15.493 7.551 2.730 1.00 1.00 O ATOM 796 OD2 ASP A 48 13.917 8.353 4.025 1.00 1.00 O ATOM 0 H ASP A 48 16.465 6.217 3.015 1.00 1.00 H new ATOM 0 HA ASP A 48 16.832 5.610 5.865 1.00 1.00 H new ATOM 0 HB2 ASP A 48 15.191 7.529 5.991 1.00 1.00 H new ATOM 0 HB3 ASP A 48 16.693 7.955 5.195 1.00 1.00 H new ATOM 801 N HIS A 49 14.434 4.586 3.985 1.00 1.00 N ATOM 802 CA HIS A 49 13.246 3.764 3.946 1.00 1.00 C ATOM 803 C HIS A 49 13.477 2.484 3.162 1.00 1.00 C ATOM 804 O HIS A 49 13.789 2.496 1.974 1.00 1.00 O ATOM 805 CB HIS A 49 12.063 4.519 3.347 1.00 1.00 C ATOM 806 CG HIS A 49 11.405 5.480 4.288 1.00 1.00 C ATOM 807 ND1 HIS A 49 11.755 6.803 4.420 1.00 1.00 N ATOM 808 CD2 HIS A 49 10.364 5.283 5.134 1.00 1.00 C ATOM 809 CE1 HIS A 49 10.930 7.361 5.316 1.00 1.00 C ATOM 810 NE2 HIS A 49 10.067 6.479 5.780 1.00 1.00 N ATOM 0 H HIS A 49 14.838 4.798 3.072 1.00 1.00 H new ATOM 0 HA HIS A 49 13.013 3.505 4.979 1.00 1.00 H new ATOM 0 HB2 HIS A 49 12.404 5.065 2.467 1.00 1.00 H new ATOM 0 HB3 HIS A 49 11.321 3.797 3.006 1.00 1.00 H new ATOM 0 HD1 HIS A 49 12.510 7.276 3.923 1.00 1.00 H new ATOM 0 HD2 HIS A 49 9.847 4.346 5.283 1.00 1.00 H new ATOM 0 HE1 HIS A 49 10.967 8.397 5.618 1.00 1.00 H new ATOM 818 N HIS A 50 13.340 1.379 3.849 1.00 1.00 N ATOM 819 CA HIS A 50 13.478 0.070 3.235 1.00 1.00 C ATOM 820 C HIS A 50 12.170 -0.674 3.441 1.00 1.00 C ATOM 821 O HIS A 50 12.090 -1.900 3.389 1.00 1.00 O ATOM 822 CB HIS A 50 14.643 -0.707 3.844 1.00 1.00 C ATOM 823 CG HIS A 50 15.989 -0.100 3.581 1.00 1.00 C ATOM 824 ND1 HIS A 50 16.877 -0.580 2.644 1.00 1.00 N ATOM 825 CD2 HIS A 50 16.605 0.959 4.168 1.00 1.00 C ATOM 826 CE1 HIS A 50 17.978 0.182 2.691 1.00 1.00 C ATOM 827 NE2 HIS A 50 17.862 1.128 3.597 1.00 1.00 N ATOM 0 H HIS A 50 13.130 1.354 4.847 1.00 1.00 H new ATOM 0 HA HIS A 50 13.693 0.178 2.172 1.00 1.00 H new ATOM 0 HB2 HIS A 50 14.493 -0.780 4.921 1.00 1.00 H new ATOM 0 HB3 HIS A 50 14.632 -1.724 3.451 1.00 1.00 H new ATOM 0 HD2 HIS A 50 16.186 1.572 4.952 1.00 1.00 H new ATOM 0 HE1 HIS A 50 18.847 0.038 2.066 1.00 1.00 H new ATOM 0 HE2 HIS A 50 18.553 1.840 3.833 1.00 1.00 H new ATOM 835 N SER A 51 11.134 0.118 3.656 1.00 1.00 N ATOM 836 CA SER A 51 9.795 -0.381 3.908 1.00 1.00 C ATOM 837 C SER A 51 9.033 -0.626 2.605 1.00 1.00 C ATOM 838 O SER A 51 7.861 -0.988 2.623 1.00 1.00 O ATOM 839 CB SER A 51 9.056 0.642 4.772 1.00 1.00 C ATOM 840 OG SER A 51 9.873 1.065 5.856 1.00 1.00 O ATOM 0 H SER A 51 11.200 1.136 3.660 1.00 1.00 H new ATOM 0 HA SER A 51 9.861 -1.338 4.425 1.00 1.00 H new ATOM 0 HB2 SER A 51 8.774 1.502 4.165 1.00 1.00 H new ATOM 0 HB3 SER A 51 8.133 0.205 5.154 1.00 1.00 H new ATOM 0 HG SER A 51 9.385 1.720 6.397 1.00 1.00 H new ATOM 846 N HIS A 52 9.722 -0.462 1.475 1.00 1.00 N ATOM 847 CA HIS A 52 9.102 -0.658 0.160 1.00 1.00 C ATOM 848 C HIS A 52 8.777 -2.141 -0.031 1.00 1.00 C ATOM 849 O HIS A 52 7.823 -2.508 -0.709 1.00 1.00 O ATOM 850 CB HIS A 52 10.028 -0.123 -0.942 1.00 1.00 C ATOM 851 CG HIS A 52 9.416 -0.081 -2.311 1.00 1.00 C ATOM 852 ND1 HIS A 52 9.816 -0.881 -3.359 1.00 1.00 N ATOM 853 CD2 HIS A 52 8.432 0.713 -2.805 1.00 1.00 C ATOM 854 CE1 HIS A 52 9.087 -0.552 -4.431 1.00 1.00 C ATOM 855 NE2 HIS A 52 8.232 0.408 -4.148 1.00 1.00 N ATOM 0 H HIS A 52 10.706 -0.195 1.441 1.00 1.00 H new ATOM 0 HA HIS A 52 8.168 -0.099 0.098 1.00 1.00 H new ATOM 0 HB2 HIS A 52 10.348 0.883 -0.671 1.00 1.00 H new ATOM 0 HB3 HIS A 52 10.923 -0.744 -0.978 1.00 1.00 H new ATOM 0 HD1 HIS A 52 10.541 -1.598 -3.324 1.00 1.00 H new ATOM 0 HD2 HIS A 52 7.891 1.462 -2.245 1.00 1.00 H new ATOM 0 HE1 HIS A 52 9.187 -1.014 -5.402 1.00 1.00 H new ATOM 863 N ARG A 53 9.581 -2.985 0.608 1.00 1.00 N ATOM 864 CA ARG A 53 9.376 -4.431 0.594 1.00 1.00 C ATOM 865 C ARG A 53 8.012 -4.783 1.214 1.00 1.00 C ATOM 866 O ARG A 53 7.469 -5.861 0.995 1.00 1.00 O ATOM 867 CB ARG A 53 10.498 -5.107 1.399 1.00 1.00 C ATOM 868 CG ARG A 53 10.574 -4.641 2.856 1.00 1.00 C ATOM 869 CD ARG A 53 11.803 -5.191 3.594 1.00 1.00 C ATOM 870 NE ARG A 53 11.785 -6.656 3.747 1.00 1.00 N ATOM 871 CZ ARG A 53 12.522 -7.322 4.606 1.00 1.00 C ATOM 872 NH1 ARG A 53 13.331 -6.699 5.405 1.00 1.00 N ATOM 873 NH2 ARG A 53 12.439 -8.618 4.663 1.00 1.00 N ATOM 0 H ARG A 53 10.392 -2.687 1.150 1.00 1.00 H new ATOM 0 HA ARG A 53 9.394 -4.785 -0.437 1.00 1.00 H new ATOM 0 HB2 ARG A 53 10.348 -6.186 1.379 1.00 1.00 H new ATOM 0 HB3 ARG A 53 11.453 -4.908 0.913 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.597 -3.552 2.883 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.671 -4.954 3.380 1.00 1.00 H new ATOM 0 HD2 ARG A 53 12.703 -4.901 3.052 1.00 1.00 H new ATOM 0 HD3 ARG A 53 11.862 -4.731 4.580 1.00 1.00 H new ATOM 0 HE ARG A 53 11.158 -7.189 3.145 1.00 1.00 H new ATOM 0 HH11 ARG A 53 13.399 -5.682 5.370 1.00 1.00 H new ATOM 0 HH12 ARG A 53 13.899 -7.226 6.068 1.00 1.00 H new ATOM 0 HH21 ARG A 53 11.802 -9.116 4.041 1.00 1.00 H new ATOM 0 HH22 ARG A 53 13.011 -9.137 5.330 1.00 1.00 H new ATOM 887 N GLY A 54 7.457 -3.836 1.963 1.00 1.00 N ATOM 888 CA GLY A 54 6.188 -4.047 2.637 1.00 1.00 C ATOM 889 C GLY A 54 4.960 -3.626 1.828 1.00 1.00 C ATOM 890 O GLY A 54 3.838 -3.786 2.298 1.00 1.00 O ATOM 0 H GLY A 54 7.869 -2.916 2.117 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.096 -5.104 2.889 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.194 -3.495 3.577 1.00 1.00 H new ATOM 894 N LEU A 55 5.137 -3.120 0.601 1.00 1.00 N ATOM 895 CA LEU A 55 3.966 -2.683 -0.186 1.00 1.00 C ATOM 896 C LEU A 55 3.167 -3.876 -0.696 1.00 1.00 C ATOM 897 O LEU A 55 1.979 -3.763 -1.003 1.00 1.00 O ATOM 898 CB LEU A 55 4.341 -1.721 -1.341 1.00 1.00 C ATOM 899 CG LEU A 55 4.618 -2.299 -2.757 1.00 1.00 C ATOM 900 CD1 LEU A 55 4.868 -1.156 -3.743 1.00 1.00 C ATOM 901 CD2 LEU A 55 5.811 -3.244 -2.777 1.00 1.00 C ATOM 0 H LEU A 55 6.040 -3.004 0.141 1.00 1.00 H new ATOM 0 HA LEU A 55 3.332 -2.114 0.494 1.00 1.00 H new ATOM 0 HB2 LEU A 55 3.534 -0.995 -1.437 1.00 1.00 H new ATOM 0 HB3 LEU A 55 5.230 -1.171 -1.033 1.00 1.00 H new ATOM 0 HG LEU A 55 3.736 -2.870 -3.048 1.00 1.00 H new ATOM 0 HD11 LEU A 55 5.062 -1.566 -4.734 1.00 1.00 H new ATOM 0 HD12 LEU A 55 3.990 -0.511 -3.782 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.730 -0.575 -3.416 1.00 1.00 H new ATOM 0 HD21 LEU A 55 5.961 -3.619 -3.789 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.704 -2.710 -2.452 1.00 1.00 H new ATOM 0 HD23 LEU A 55 5.624 -4.081 -2.104 1.00 1.00 H new ATOM 913 N LEU A 56 3.804 -5.038 -0.700 1.00 1.00 N ATOM 914 CA LEU A 56 3.175 -6.257 -1.169 1.00 1.00 C ATOM 915 C LEU A 56 2.089 -6.697 -0.193 1.00 1.00 C ATOM 916 O LEU A 56 1.036 -7.195 -0.588 1.00 1.00 O ATOM 917 CB LEU A 56 4.236 -7.337 -1.309 1.00 1.00 C ATOM 918 CG LEU A 56 5.316 -7.056 -2.357 1.00 1.00 C ATOM 919 CD1 LEU A 56 6.307 -8.204 -2.394 1.00 1.00 C ATOM 920 CD2 LEU A 56 4.700 -6.839 -3.734 1.00 1.00 C ATOM 0 H LEU A 56 4.765 -5.159 -0.380 1.00 1.00 H new ATOM 0 HA LEU A 56 2.708 -6.081 -2.138 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.718 -7.478 -0.342 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.744 -8.277 -1.560 1.00 1.00 H new ATOM 0 HG LEU A 56 5.839 -6.141 -2.078 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.073 -7.999 -3.141 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.774 -8.313 -1.415 1.00 1.00 H new ATOM 0 HD13 LEU A 56 5.786 -9.126 -2.652 1.00 1.00 H new ATOM 0 HD21 LEU A 56 5.490 -6.641 -4.459 1.00 1.00 H new ATOM 0 HD22 LEU A 56 4.150 -7.732 -4.031 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.019 -5.988 -3.698 1.00 1.00 H new ATOM 932 N MET A 57 2.370 -6.506 1.092 1.00 1.00 N ATOM 933 CA MET A 57 1.427 -6.820 2.154 1.00 1.00 C ATOM 934 C MET A 57 0.141 -6.006 1.964 1.00 1.00 C ATOM 935 O MET A 57 -0.964 -6.516 2.133 1.00 1.00 O ATOM 936 CB MET A 57 2.076 -6.496 3.505 1.00 1.00 C ATOM 937 CG MET A 57 1.167 -6.672 4.711 1.00 1.00 C ATOM 938 SD MET A 57 2.037 -6.366 6.262 1.00 1.00 S ATOM 939 CE MET A 57 0.715 -6.557 7.455 1.00 1.00 C ATOM 0 H MET A 57 3.258 -6.129 1.424 1.00 1.00 H new ATOM 0 HA MET A 57 1.169 -7.879 2.124 1.00 1.00 H new ATOM 0 HB2 MET A 57 2.952 -7.132 3.633 1.00 1.00 H new ATOM 0 HB3 MET A 57 2.431 -5.466 3.483 1.00 1.00 H new ATOM 0 HG2 MET A 57 0.320 -5.991 4.630 1.00 1.00 H new ATOM 0 HG3 MET A 57 0.762 -7.684 4.716 1.00 1.00 H new ATOM 0 HE1 MET A 57 1.106 -6.396 8.460 1.00 1.00 H new ATOM 0 HE2 MET A 57 -0.069 -5.828 7.249 1.00 1.00 H new ATOM 0 HE3 MET A 57 0.303 -7.563 7.383 1.00 1.00 H new ATOM 949 N MET A 58 0.297 -4.739 1.570 1.00 1.00 N ATOM 950 CA MET A 58 -0.858 -3.868 1.344 1.00 1.00 C ATOM 951 C MET A 58 -1.621 -4.297 0.078 1.00 1.00 C ATOM 952 O MET A 58 -2.847 -4.229 0.035 1.00 1.00 O ATOM 953 CB MET A 58 -0.436 -2.397 1.252 1.00 1.00 C ATOM 954 CG MET A 58 0.126 -1.837 2.554 1.00 1.00 C ATOM 955 SD MET A 58 0.545 -0.083 2.440 1.00 1.00 S ATOM 956 CE MET A 58 -1.060 0.648 2.120 1.00 1.00 C ATOM 0 H MET A 58 1.201 -4.298 1.403 1.00 1.00 H new ATOM 0 HA MET A 58 -1.526 -3.969 2.200 1.00 1.00 H new ATOM 0 HB2 MET A 58 0.314 -2.292 0.468 1.00 1.00 H new ATOM 0 HB3 MET A 58 -1.297 -1.800 0.952 1.00 1.00 H new ATOM 0 HG2 MET A 58 -0.604 -1.980 3.351 1.00 1.00 H new ATOM 0 HG3 MET A 58 1.016 -2.401 2.832 1.00 1.00 H new ATOM 0 HE1 MET A 58 -0.974 1.735 2.132 1.00 1.00 H new ATOM 0 HE2 MET A 58 -1.420 0.323 1.144 1.00 1.00 H new ATOM 0 HE3 MET A 58 -1.764 0.331 2.890 1.00 1.00 H new ATOM 966 N VAL A 59 -0.889 -4.735 -0.956 1.00 1.00 N ATOM 967 CA VAL A 59 -1.519 -5.226 -2.189 1.00 1.00 C ATOM 968 C VAL A 59 -2.408 -6.431 -1.857 1.00 1.00 C ATOM 969 O VAL A 59 -3.552 -6.526 -2.307 1.00 1.00 O ATOM 970 CB VAL A 59 -0.467 -5.635 -3.252 1.00 1.00 C ATOM 971 CG1 VAL A 59 -1.126 -6.220 -4.495 1.00 1.00 C ATOM 972 CG2 VAL A 59 0.400 -4.445 -3.633 1.00 1.00 C ATOM 0 H VAL A 59 0.131 -4.759 -0.964 1.00 1.00 H new ATOM 0 HA VAL A 59 -2.116 -4.416 -2.608 1.00 1.00 H new ATOM 0 HB VAL A 59 0.163 -6.406 -2.809 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -0.358 -6.495 -5.218 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -1.700 -7.105 -4.220 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.792 -5.479 -4.937 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.132 -4.752 -4.380 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.228 -3.654 -4.044 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.918 -4.074 -2.749 1.00 1.00 H new ATOM 982 N GLY A 60 -1.873 -7.341 -1.045 1.00 1.00 N ATOM 983 CA GLY A 60 -2.636 -8.500 -0.620 1.00 1.00 C ATOM 984 C GLY A 60 -3.841 -8.096 0.216 1.00 1.00 C ATOM 985 O GLY A 60 -4.929 -8.652 0.069 1.00 1.00 O ATOM 0 H GLY A 60 -0.924 -7.295 -0.675 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.969 -9.059 -1.495 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.996 -9.166 -0.041 1.00 1.00 H new ATOM 989 N GLN A 61 -3.649 -7.091 1.069 1.00 1.00 N ATOM 990 CA GLN A 61 -4.719 -6.592 1.929 1.00 1.00 C ATOM 991 C GLN A 61 -5.830 -5.985 1.077 1.00 1.00 C ATOM 992 O GLN A 61 -7.008 -6.091 1.403 1.00 1.00 O ATOM 993 CB GLN A 61 -4.183 -5.532 2.897 1.00 1.00 C ATOM 994 CG GLN A 61 -5.241 -4.988 3.843 1.00 1.00 C ATOM 995 CD GLN A 61 -4.708 -3.903 4.758 1.00 1.00 C ATOM 996 OE1 GLN A 61 -3.823 -3.140 4.394 1.00 1.00 O ATOM 997 NE2 GLN A 61 -5.243 -3.832 5.960 1.00 1.00 N ATOM 0 H GLN A 61 -2.759 -6.605 1.183 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.115 -7.428 2.505 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.370 -5.963 3.482 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.761 -4.707 2.323 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -6.072 -4.590 3.261 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -5.636 -5.805 4.447 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -5.979 -4.484 6.230 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.921 -3.125 6.621 1.00 1.00 H new ATOM 1006 N ARG A 62 -5.438 -5.376 -0.048 1.00 1.00 N ATOM 1007 CA ARG A 62 -6.381 -4.746 -0.944 1.00 1.00 C ATOM 1008 C ARG A 62 -7.212 -5.803 -1.666 1.00 1.00 C ATOM 1009 O ARG A 62 -8.387 -5.596 -1.948 1.00 1.00 O ATOM 1010 CB ARG A 62 -5.624 -3.792 -1.897 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.600 -4.135 -3.400 1.00 1.00 C ATOM 1012 CD ARG A 62 -6.917 -3.805 -4.124 1.00 1.00 C ATOM 1013 NE ARG A 62 -6.812 -3.933 -5.596 1.00 1.00 N ATOM 1014 CZ ARG A 62 -7.824 -3.833 -6.429 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -9.043 -3.794 -5.995 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -7.607 -3.819 -7.713 1.00 1.00 N ATOM 0 H ARG A 62 -4.466 -5.313 -0.350 1.00 1.00 H new ATOM 0 HA ARG A 62 -7.092 -4.137 -0.385 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -6.059 -2.798 -1.789 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.592 -3.727 -1.553 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -4.786 -3.589 -3.877 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.385 -5.197 -3.519 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -7.702 -4.469 -3.761 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -7.219 -2.788 -3.873 1.00 1.00 H new ATOM 0 HE ARG A 62 -5.889 -4.111 -5.991 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -9.229 -3.841 -4.993 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -9.817 -3.716 -6.655 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -6.654 -3.886 -8.070 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -8.390 -3.742 -8.362 1.00 1.00 H new ATOM 1030 N ARG A 63 -6.612 -6.956 -1.927 1.00 1.00 N ATOM 1031 CA ARG A 63 -7.331 -8.035 -2.587 1.00 1.00 C ATOM 1032 C ARG A 63 -8.211 -8.811 -1.589 1.00 1.00 C ATOM 1033 O ARG A 63 -9.164 -9.478 -1.980 1.00 1.00 O ATOM 1034 CB ARG A 63 -6.352 -8.993 -3.278 1.00 1.00 C ATOM 1035 CG ARG A 63 -7.046 -10.046 -4.137 1.00 1.00 C ATOM 1036 CD ARG A 63 -6.080 -11.101 -4.692 1.00 1.00 C ATOM 1037 NE ARG A 63 -5.069 -10.554 -5.614 1.00 1.00 N ATOM 1038 CZ ARG A 63 -4.571 -11.201 -6.646 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -5.109 -12.312 -7.056 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -3.562 -10.704 -7.295 1.00 1.00 N ATOM 0 H ARG A 63 -5.641 -7.167 -1.695 1.00 1.00 H new ATOM 0 HA ARG A 63 -7.980 -7.588 -3.340 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -5.669 -8.416 -3.902 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.747 -9.492 -2.521 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -7.814 -10.542 -3.544 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -7.553 -9.553 -4.967 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -5.573 -11.590 -3.860 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -6.654 -11.869 -5.211 1.00 1.00 H new ATOM 0 HE ARG A 63 -4.731 -9.607 -5.440 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -5.926 -12.691 -6.576 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -4.714 -12.805 -7.857 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -3.157 -9.814 -7.005 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -3.174 -11.204 -8.095 1.00 1.00 H new ATOM 1054 N ARG A 64 -7.907 -8.723 -0.298 1.00 1.00 N ATOM 1055 CA ARG A 64 -8.694 -9.457 0.706 1.00 1.00 C ATOM 1056 C ARG A 64 -9.473 -8.541 1.666 1.00 1.00 C ATOM 1057 O ARG A 64 -10.205 -9.041 2.518 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.779 -10.347 1.563 1.00 1.00 C ATOM 1059 CG ARG A 64 -6.816 -11.237 0.790 1.00 1.00 C ATOM 1060 CD ARG A 64 -7.518 -12.045 -0.302 1.00 1.00 C ATOM 1061 NE ARG A 64 -8.610 -12.895 0.207 1.00 1.00 N ATOM 1062 CZ ARG A 64 -9.726 -13.127 -0.443 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -10.009 -12.470 -1.524 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -10.579 -13.987 0.019 1.00 1.00 N ATOM 0 H ARG A 64 -7.140 -8.166 0.079 1.00 1.00 H new ATOM 0 HA ARG A 64 -9.409 -10.048 0.134 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -7.200 -9.707 2.229 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -8.404 -10.980 2.193 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -6.038 -10.621 0.339 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -6.321 -11.919 1.481 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -7.919 -11.360 -1.049 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -6.784 -12.673 -0.807 1.00 1.00 H new ATOM 0 HE ARG A 64 -8.490 -13.330 1.122 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -9.362 -11.765 -1.877 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -10.879 -12.658 -2.022 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -10.383 -14.484 0.888 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -11.446 -14.167 -0.487 1.00 1.00 H new ATOM 1078 N LEU A 65 -9.389 -7.222 1.499 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.031 -6.297 2.451 1.00 1.00 C ATOM 1080 C LEU A 65 -11.557 -6.418 2.484 1.00 1.00 C ATOM 1081 O LEU A 65 -12.167 -6.172 3.521 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.608 -4.841 2.211 1.00 1.00 C ATOM 1083 CG LEU A 65 -9.923 -3.878 3.371 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -9.178 -4.282 4.636 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -9.571 -2.447 3.003 1.00 1.00 C ATOM 0 H LEU A 65 -8.894 -6.769 0.731 1.00 1.00 H new ATOM 0 HA LEU A 65 -9.671 -6.602 3.434 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.536 -4.816 2.018 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -10.103 -4.477 1.311 1.00 1.00 H new ATOM 0 HG LEU A 65 -10.995 -3.938 3.562 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -9.419 -3.585 5.439 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -9.476 -5.289 4.928 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -8.104 -4.262 4.448 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.804 -1.788 3.840 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -8.507 -2.381 2.774 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -10.149 -2.143 2.130 1.00 1.00 H new ATOM 1097 N LEU A 66 -12.183 -6.798 1.372 1.00 1.00 N ATOM 1098 CA LEU A 66 -13.638 -6.968 1.358 1.00 1.00 C ATOM 1099 C LEU A 66 -14.069 -8.058 2.351 1.00 1.00 C ATOM 1100 O LEU A 66 -15.168 -8.017 2.898 1.00 1.00 O ATOM 1101 CB LEU A 66 -14.168 -7.291 -0.053 1.00 1.00 C ATOM 1102 CG LEU A 66 -13.897 -8.704 -0.613 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -14.753 -8.941 -1.852 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -12.429 -8.899 -0.966 1.00 1.00 C ATOM 0 H LEU A 66 -11.719 -6.991 0.485 1.00 1.00 H new ATOM 0 HA LEU A 66 -14.075 -6.018 1.665 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -15.246 -7.132 -0.051 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -13.740 -6.567 -0.746 1.00 1.00 H new ATOM 0 HG LEU A 66 -14.156 -9.424 0.164 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -14.558 -9.939 -2.243 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -15.807 -8.854 -1.588 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -14.507 -8.199 -2.612 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -12.279 -9.906 -1.357 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -12.136 -8.170 -1.721 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -11.819 -8.762 -0.073 1.00 1.00 H new ATOM 1116 N ARG A 67 -13.166 -8.999 2.621 1.00 1.00 N ATOM 1117 CA ARG A 67 -13.453 -10.094 3.551 1.00 1.00 C ATOM 1118 C ARG A 67 -13.348 -9.601 4.996 1.00 1.00 C ATOM 1119 O ARG A 67 -13.788 -10.263 5.934 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.511 -11.266 3.286 1.00 1.00 C ATOM 1121 CG ARG A 67 -12.567 -11.757 1.845 1.00 1.00 C ATOM 1122 CD ARG A 67 -13.914 -12.409 1.503 1.00 1.00 C ATOM 1123 NE ARG A 67 -14.023 -13.789 2.016 1.00 1.00 N ATOM 1124 CZ ARG A 67 -15.153 -14.409 2.275 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -16.261 -13.755 2.430 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -15.140 -15.687 2.500 1.00 1.00 N ATOM 0 H ARG A 67 -12.232 -9.027 2.212 1.00 1.00 H new ATOM 0 HA ARG A 67 -14.473 -10.444 3.394 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -11.490 -10.966 3.523 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -12.765 -12.088 3.955 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -12.390 -10.919 1.171 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -11.765 -12.476 1.677 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -14.721 -11.806 1.919 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -14.046 -12.416 0.421 1.00 1.00 H new ATOM 0 HE ARG A 67 -13.156 -14.300 2.182 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -16.268 -12.738 2.352 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -17.126 -14.257 2.630 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -14.259 -16.200 2.475 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -16.011 -16.178 2.702 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.746 -8.434 5.158 1.00 1.00 N ATOM 1141 CA TYR A 68 -12.645 -7.795 6.460 1.00 1.00 C ATOM 1142 C TYR A 68 -13.748 -6.724 6.561 1.00 1.00 C ATOM 1143 O TYR A 68 -14.302 -6.482 7.632 1.00 1.00 O ATOM 1144 CB TYR A 68 -11.251 -7.190 6.667 1.00 1.00 C ATOM 1145 CG TYR A 68 -11.169 -6.289 7.876 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -11.320 -6.794 9.164 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -10.975 -4.926 7.723 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -11.286 -5.955 10.263 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -10.930 -4.087 8.813 1.00 1.00 C ATOM 1150 CZ TYR A 68 -11.089 -4.601 10.077 1.00 1.00 C ATOM 1151 OH TYR A 68 -11.075 -3.751 11.155 1.00 1.00 O ATOM 0 H TYR A 68 -12.317 -7.907 4.398 1.00 1.00 H new ATOM 0 HA TYR A 68 -12.785 -8.533 7.249 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -10.524 -7.995 6.772 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -10.972 -6.623 5.779 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -11.466 -7.855 9.307 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -10.857 -4.515 6.731 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -11.412 -6.355 11.258 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -10.770 -3.028 8.675 1.00 1.00 H new ATOM 0 HH TYR A 68 -11.749 -3.051 11.028 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.075 -6.111 5.413 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.144 -5.104 5.319 1.00 1.00 C ATOM 1163 C LEU A 69 -16.458 -5.688 5.837 1.00 1.00 C ATOM 1164 O LEU A 69 -17.185 -5.061 6.600 1.00 1.00 O ATOM 1165 CB LEU A 69 -15.330 -4.680 3.851 1.00 1.00 C ATOM 1166 CG LEU A 69 -16.493 -3.715 3.562 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -16.242 -2.351 4.191 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -16.704 -3.581 2.057 1.00 1.00 C ATOM 0 H LEU A 69 -13.608 -6.298 4.526 1.00 1.00 H new ATOM 0 HA LEU A 69 -14.866 -4.239 5.921 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.406 -4.214 3.510 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -15.474 -5.579 3.251 1.00 1.00 H new ATOM 0 HG LEU A 69 -17.398 -4.127 4.008 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -17.080 -1.689 3.971 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -16.141 -2.461 5.271 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.326 -1.925 3.782 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -17.530 -2.896 1.865 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -15.796 -3.194 1.595 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -16.938 -4.558 1.634 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.739 -6.914 5.421 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.956 -7.604 5.837 1.00 1.00 C ATOM 1182 C GLN A 70 -17.954 -7.896 7.330 1.00 1.00 C ATOM 1183 O GLN A 70 -18.999 -8.101 7.940 1.00 1.00 O ATOM 1184 CB GLN A 70 -18.103 -8.907 5.073 1.00 1.00 C ATOM 1185 CG GLN A 70 -16.918 -9.841 5.221 1.00 1.00 C ATOM 1186 CD GLN A 70 -17.111 -11.116 4.440 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -16.739 -11.218 3.275 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -17.711 -12.098 5.074 1.00 1.00 N ATOM 0 H GLN A 70 -16.142 -7.454 4.795 1.00 1.00 H new ATOM 0 HA GLN A 70 -18.797 -6.946 5.617 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -19.002 -9.419 5.416 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -18.247 -8.683 4.016 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -16.014 -9.338 4.879 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -16.771 -10.078 6.275 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -18.006 -11.975 6.043 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -17.882 -12.983 4.597 1.00 1.00 H new ATOM 1197 N ARG A 71 -16.776 -7.918 7.911 1.00 1.00 N ATOM 1198 CA ARG A 71 -16.646 -8.171 9.329 1.00 1.00 C ATOM 1199 C ARG A 71 -16.936 -6.894 10.123 1.00 1.00 C ATOM 1200 O ARG A 71 -17.367 -6.953 11.272 1.00 1.00 O ATOM 1201 CB ARG A 71 -15.240 -8.689 9.635 1.00 1.00 C ATOM 1202 CG ARG A 71 -14.954 -8.866 11.119 1.00 1.00 C ATOM 1203 CD ARG A 71 -15.894 -9.890 11.752 1.00 1.00 C ATOM 1204 NE ARG A 71 -15.702 -10.000 13.203 1.00 1.00 N ATOM 1205 CZ ARG A 71 -16.635 -10.358 14.050 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -17.831 -10.639 13.638 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -16.360 -10.425 15.317 1.00 1.00 N ATOM 0 H ARG A 71 -15.893 -7.764 7.424 1.00 1.00 H new ATOM 0 HA ARG A 71 -17.371 -8.929 9.625 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -15.099 -9.646 9.132 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -14.510 -7.997 9.215 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -13.921 -9.185 11.256 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -15.062 -7.908 11.628 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.927 -9.609 11.545 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -15.730 -10.864 11.291 1.00 1.00 H new ATOM 0 HE ARG A 71 -14.779 -9.783 13.578 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -18.055 -10.583 12.644 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -18.549 -10.917 14.307 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -15.422 -10.200 15.648 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -17.082 -10.703 15.982 1.00 1.00 H new ATOM 1221 N GLU A 72 -16.747 -5.739 9.492 1.00 1.00 N ATOM 1222 CA GLU A 72 -16.987 -4.464 10.179 1.00 1.00 C ATOM 1223 C GLU A 72 -18.476 -4.090 10.127 1.00 1.00 C ATOM 1224 O GLU A 72 -18.918 -3.130 10.762 1.00 1.00 O ATOM 1225 CB GLU A 72 -16.101 -3.361 9.598 1.00 1.00 C ATOM 1226 CG GLU A 72 -14.620 -3.668 9.760 1.00 1.00 C ATOM 1227 CD GLU A 72 -13.728 -2.485 9.453 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -13.643 -2.098 8.271 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -13.094 -1.961 10.397 1.00 1.00 O ATOM 0 H GLU A 72 -16.435 -5.654 8.525 1.00 1.00 H new ATOM 0 HA GLU A 72 -16.717 -4.578 11.229 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -16.330 -3.233 8.540 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -16.330 -2.416 10.090 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -14.434 -3.999 10.782 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -14.353 -4.496 9.103 1.00 1.00 H new ATOM 1236 N ASP A 73 -19.222 -4.891 9.367 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.661 -4.779 9.188 1.00 1.00 C ATOM 1238 C ASP A 73 -21.064 -5.677 8.023 1.00 1.00 C ATOM 1239 O ASP A 73 -20.710 -5.416 6.864 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.131 -3.357 8.914 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.629 -3.225 9.097 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -23.378 -3.719 8.222 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.061 -2.624 10.099 1.00 1.00 O ATOM 0 H ASP A 73 -18.820 -5.666 8.840 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.135 -5.084 10.121 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -20.619 -2.667 9.585 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.861 -3.072 7.897 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.815 -6.743 8.295 1.00 1.00 N ATOM 1249 CA PRO A 74 -22.210 -7.687 7.257 1.00 1.00 C ATOM 1250 C PRO A 74 -23.214 -7.118 6.262 1.00 1.00 C ATOM 1251 O PRO A 74 -23.322 -7.609 5.138 1.00 1.00 O ATOM 1252 CB PRO A 74 -22.834 -8.839 8.033 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.292 -8.245 9.321 1.00 1.00 C ATOM 1254 CD PRO A 74 -22.365 -7.095 9.617 1.00 1.00 C ATOM 0 HA PRO A 74 -21.353 -7.971 6.646 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -23.667 -9.277 7.484 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -22.110 -9.636 8.203 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -24.324 -7.902 9.244 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -23.261 -8.984 10.122 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -22.897 -6.256 10.066 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -21.579 -7.383 10.314 1.00 1.00 H new ATOM 1262 N GLU A 75 -23.935 -6.072 6.632 1.00 1.00 N ATOM 1263 CA GLU A 75 -24.908 -5.527 5.707 1.00 1.00 C ATOM 1264 C GLU A 75 -24.244 -4.488 4.816 1.00 1.00 C ATOM 1265 O GLU A 75 -24.582 -4.367 3.638 1.00 1.00 O ATOM 1266 CB GLU A 75 -26.140 -4.974 6.418 1.00 1.00 C ATOM 1267 CG GLU A 75 -27.214 -4.515 5.443 1.00 1.00 C ATOM 1268 CD GLU A 75 -28.590 -4.440 6.064 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -29.221 -5.513 6.224 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -29.048 -3.320 6.362 1.00 1.00 O ATOM 0 H GLU A 75 -23.869 -5.599 7.533 1.00 1.00 H new ATOM 0 HA GLU A 75 -25.273 -6.339 5.078 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -26.552 -5.740 7.074 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -25.846 -4.137 7.051 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -26.945 -3.534 5.052 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -27.242 -5.199 4.595 1.00 1.00 H new ATOM 1277 N ARG A 76 -23.284 -3.744 5.363 1.00 1.00 N ATOM 1278 CA ARG A 76 -22.550 -2.791 4.542 1.00 1.00 C ATOM 1279 C ARG A 76 -21.824 -3.563 3.438 1.00 1.00 C ATOM 1280 O ARG A 76 -21.726 -3.096 2.309 1.00 1.00 O ATOM 1281 CB ARG A 76 -21.520 -1.988 5.343 1.00 1.00 C ATOM 1282 CG ARG A 76 -22.090 -1.206 6.514 1.00 1.00 C ATOM 1283 CD ARG A 76 -23.162 -0.200 6.103 1.00 1.00 C ATOM 1284 NE ARG A 76 -23.805 0.381 7.289 1.00 1.00 N ATOM 1285 CZ ARG A 76 -24.935 1.036 7.293 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -25.552 1.312 6.189 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -25.440 1.415 8.426 1.00 1.00 N ATOM 0 H ARG A 76 -23.004 -3.781 6.343 1.00 1.00 H new ATOM 0 HA ARG A 76 -23.269 -2.081 4.134 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -20.759 -2.672 5.718 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -21.019 -1.292 4.669 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -22.514 -1.904 7.236 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -21.280 -0.678 7.018 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -22.715 0.591 5.501 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -23.910 -0.691 5.480 1.00 1.00 H new ATOM 0 HE ARG A 76 -23.330 0.263 8.184 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -25.157 1.017 5.296 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -26.434 1.824 6.212 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -24.955 1.201 9.298 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -26.322 1.927 8.445 1.00 1.00 H new ATOM 1301 N TYR A 77 -21.353 -4.774 3.781 1.00 1.00 N ATOM 1302 CA TYR A 77 -20.647 -5.637 2.824 1.00 1.00 C ATOM 1303 C TYR A 77 -21.411 -5.745 1.525 1.00 1.00 C ATOM 1304 O TYR A 77 -20.997 -5.242 0.478 1.00 1.00 O ATOM 1305 CB TYR A 77 -20.514 -7.082 3.344 1.00 1.00 C ATOM 1306 CG TYR A 77 -19.858 -8.013 2.332 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -18.568 -7.763 1.889 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -20.533 -9.113 1.797 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -17.959 -8.582 0.956 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -19.928 -9.934 0.859 1.00 1.00 C ATOM 1311 CZ TYR A 77 -18.645 -9.660 0.439 1.00 1.00 C ATOM 1312 OH TYR A 77 -18.046 -10.472 -0.497 1.00 1.00 O ATOM 0 H TYR A 77 -21.449 -5.175 4.714 1.00 1.00 H new ATOM 0 HA TYR A 77 -19.668 -5.178 2.684 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -19.928 -7.081 4.263 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -21.503 -7.465 3.597 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -18.029 -6.913 2.280 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -21.541 -9.327 2.119 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -16.949 -8.378 0.633 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -20.460 -10.785 0.459 1.00 1.00 H new ATOM 0 HH TYR A 77 -18.666 -11.185 -0.756 1.00 1.00 H new ATOM 1322 N ARG A 78 -22.568 -6.385 1.629 1.00 1.00 N ATOM 1323 CA ARG A 78 -23.391 -6.654 0.491 1.00 1.00 C ATOM 1324 C ARG A 78 -23.886 -5.405 -0.212 1.00 1.00 C ATOM 1325 O ARG A 78 -23.975 -5.389 -1.429 1.00 1.00 O ATOM 1326 CB ARG A 78 -24.568 -7.535 0.891 1.00 1.00 C ATOM 1327 CG ARG A 78 -25.509 -6.939 1.932 1.00 1.00 C ATOM 1328 CD ARG A 78 -26.619 -7.936 2.267 1.00 1.00 C ATOM 1329 NE ARG A 78 -27.595 -7.406 3.231 1.00 1.00 N ATOM 1330 CZ ARG A 78 -28.884 -7.669 3.212 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -29.392 -8.435 2.298 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -29.654 -7.164 4.126 1.00 1.00 N ATOM 0 H ARG A 78 -22.949 -6.726 2.511 1.00 1.00 H new ATOM 0 HA ARG A 78 -22.759 -7.177 -0.227 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -25.145 -7.769 -0.004 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -24.180 -8.478 1.275 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -24.952 -6.685 2.834 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -25.943 -6.013 1.554 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -27.137 -8.216 1.350 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -26.174 -8.845 2.672 1.00 1.00 H new ATOM 0 HE ARG A 78 -27.248 -6.791 3.967 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -28.791 -8.842 1.582 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -30.393 -8.631 2.295 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -29.259 -6.567 4.853 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -30.654 -7.364 4.118 1.00 1.00 H new ATOM 1346 N ALA A 79 -24.169 -4.345 0.515 1.00 1.00 N ATOM 1347 CA ALA A 79 -24.678 -3.166 -0.159 1.00 1.00 C ATOM 1348 C ALA A 79 -23.560 -2.384 -0.845 1.00 1.00 C ATOM 1349 O ALA A 79 -23.769 -1.785 -1.894 1.00 1.00 O ATOM 1350 CB ALA A 79 -25.496 -2.299 0.769 1.00 1.00 C ATOM 0 H ALA A 79 -24.063 -4.271 1.527 1.00 1.00 H new ATOM 0 HA ALA A 79 -25.353 -3.506 -0.944 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -25.859 -1.426 0.226 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -26.344 -2.870 1.147 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -24.876 -1.974 1.605 1.00 1.00 H new ATOM 1356 N LEU A 80 -22.359 -2.401 -0.288 1.00 1.00 N ATOM 1357 CA LEU A 80 -21.269 -1.704 -0.939 1.00 1.00 C ATOM 1358 C LEU A 80 -20.795 -2.515 -2.147 1.00 1.00 C ATOM 1359 O LEU A 80 -20.328 -1.955 -3.131 1.00 1.00 O ATOM 1360 CB LEU A 80 -20.092 -1.442 0.000 1.00 1.00 C ATOM 1361 CG LEU A 80 -20.411 -0.627 1.263 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -19.151 -0.399 2.082 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -21.056 0.707 0.915 1.00 1.00 C ATOM 0 H LEU A 80 -22.121 -2.874 0.584 1.00 1.00 H new ATOM 0 HA LEU A 80 -21.648 -0.732 -1.257 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -19.675 -2.402 0.306 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -19.315 -0.921 -0.559 1.00 1.00 H new ATOM 0 HG LEU A 80 -21.122 -1.202 1.856 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -19.396 0.180 2.973 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -18.731 -1.360 2.378 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -18.422 0.147 1.483 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -21.269 1.258 1.831 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -20.377 1.288 0.291 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -21.985 0.531 0.373 1.00 1.00 H new ATOM 1375 N ILE A 81 -20.975 -3.835 -2.114 1.00 1.00 N ATOM 1376 CA ILE A 81 -20.522 -4.638 -3.250 1.00 1.00 C ATOM 1377 C ILE A 81 -21.505 -4.461 -4.388 1.00 1.00 C ATOM 1378 O ILE A 81 -21.161 -4.537 -5.570 1.00 1.00 O ATOM 1379 CB ILE A 81 -20.268 -6.137 -2.915 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -21.518 -6.904 -2.445 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -19.194 -6.220 -1.844 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -22.379 -7.464 -3.561 1.00 1.00 C ATOM 0 H ILE A 81 -21.411 -4.353 -1.351 1.00 1.00 H new ATOM 0 HA ILE A 81 -19.539 -4.271 -3.546 1.00 1.00 H new ATOM 0 HB ILE A 81 -19.955 -6.616 -3.843 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -21.202 -7.726 -1.802 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -22.128 -6.238 -1.835 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -19.005 -7.265 -1.599 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -18.276 -5.762 -2.213 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -19.529 -5.692 -0.951 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -23.235 -7.987 -3.133 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -22.731 -6.649 -4.193 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -21.791 -8.160 -4.160 1.00 1.00 H new ATOM 1394 N GLU A 82 -22.731 -4.189 -3.999 1.00 1.00 N ATOM 1395 CA GLU A 82 -23.803 -3.919 -4.921 1.00 1.00 C ATOM 1396 C GLU A 82 -23.621 -2.513 -5.536 1.00 1.00 C ATOM 1397 O GLU A 82 -23.746 -2.334 -6.744 1.00 1.00 O ATOM 1398 CB GLU A 82 -25.113 -4.034 -4.150 1.00 1.00 C ATOM 1399 CG GLU A 82 -26.359 -3.877 -4.985 1.00 1.00 C ATOM 1400 CD GLU A 82 -27.608 -4.069 -4.153 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -28.097 -3.072 -3.581 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -28.087 -5.219 -4.055 1.00 1.00 O ATOM 0 H GLU A 82 -23.011 -4.149 -3.019 1.00 1.00 H new ATOM 0 HA GLU A 82 -23.806 -4.632 -5.746 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -25.144 -5.006 -3.658 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -25.122 -3.279 -3.364 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -26.372 -2.887 -5.440 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -26.347 -4.602 -5.799 1.00 1.00 H new ATOM 1409 N LYS A 83 -23.277 -1.523 -4.696 1.00 1.00 N ATOM 1410 CA LYS A 83 -23.054 -0.137 -5.172 1.00 1.00 C ATOM 1411 C LYS A 83 -21.945 -0.081 -6.212 1.00 1.00 C ATOM 1412 O LYS A 83 -22.103 0.446 -7.315 1.00 1.00 O ATOM 1413 CB LYS A 83 -22.584 0.797 -4.041 1.00 1.00 C ATOM 1414 CG LYS A 83 -23.607 1.146 -2.980 1.00 1.00 C ATOM 1415 CD LYS A 83 -22.965 1.945 -1.840 1.00 1.00 C ATOM 1416 CE LYS A 83 -22.381 3.278 -2.311 1.00 1.00 C ATOM 1417 NZ LYS A 83 -21.654 3.992 -1.216 1.00 1.00 N ATOM 0 H LYS A 83 -23.147 -1.649 -3.692 1.00 1.00 H new ATOM 0 HA LYS A 83 -24.015 0.180 -5.576 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -21.728 0.333 -3.550 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -22.229 1.725 -4.490 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -24.415 1.726 -3.426 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -24.051 0.233 -2.584 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -23.711 2.132 -1.068 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -22.176 1.348 -1.383 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -21.699 3.101 -3.143 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -23.184 3.913 -2.686 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -21.789 5.018 -1.321 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -22.027 3.686 -0.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -20.640 3.769 -1.270 1.00 1.00 H new ATOM 1431 N LEU A 84 -20.819 -0.648 -5.829 1.00 1.00 N ATOM 1432 CA LEU A 84 -19.617 -0.631 -6.644 1.00 1.00 C ATOM 1433 C LEU A 84 -19.707 -1.587 -7.824 1.00 1.00 C ATOM 1434 O LEU A 84 -19.054 -1.396 -8.846 1.00 1.00 O ATOM 1435 CB LEU A 84 -18.431 -0.983 -5.751 1.00 1.00 C ATOM 1436 CG LEU A 84 -18.421 -0.257 -4.399 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -17.202 -0.656 -3.581 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -18.494 1.255 -4.590 1.00 1.00 C ATOM 0 H LEU A 84 -20.709 -1.136 -4.940 1.00 1.00 H new ATOM 0 HA LEU A 84 -19.492 0.365 -7.068 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -18.432 -2.058 -5.573 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -17.509 -0.749 -6.283 1.00 1.00 H new ATOM 0 HG LEU A 84 -19.308 -0.561 -3.843 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -17.216 -0.129 -2.627 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -17.220 -1.731 -3.402 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -16.296 -0.394 -4.127 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -18.485 1.746 -3.617 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -17.636 1.590 -5.173 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -19.413 1.511 -5.117 1.00 1.00 H new ATOM 1450 N GLY A 85 -20.544 -2.596 -7.689 1.00 1.00 N ATOM 1451 CA GLY A 85 -20.689 -3.568 -8.744 1.00 1.00 C ATOM 1452 C GLY A 85 -19.519 -4.511 -8.767 1.00 1.00 C ATOM 1453 O GLY A 85 -18.742 -4.560 -9.713 1.00 1.00 O ATOM 0 H GLY A 85 -21.126 -2.760 -6.868 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -21.612 -4.130 -8.602 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -20.770 -3.059 -9.704 1.00 1.00 H new ATOM 1457 N ILE A 86 -19.387 -5.239 -7.697 1.00 1.00 N ATOM 1458 CA ILE A 86 -18.316 -6.182 -7.551 1.00 1.00 C ATOM 1459 C ILE A 86 -18.753 -7.536 -8.151 1.00 1.00 C ATOM 1460 O ILE A 86 -17.949 -8.314 -8.668 1.00 1.00 O ATOM 1461 CB ILE A 86 -17.933 -6.261 -6.066 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -16.896 -5.151 -5.761 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -17.446 -7.640 -5.664 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -16.457 -5.076 -4.311 1.00 1.00 C ATOM 0 H ILE A 86 -20.020 -5.196 -6.899 1.00 1.00 H new ATOM 0 HA ILE A 86 -17.424 -5.872 -8.096 1.00 1.00 H new ATOM 0 HB ILE A 86 -18.823 -6.091 -5.460 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -16.017 -5.312 -6.385 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -17.319 -4.188 -6.049 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -17.189 -7.641 -4.605 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -18.233 -8.371 -5.846 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -16.566 -7.901 -6.251 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -15.731 -4.271 -4.192 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -17.323 -4.881 -3.678 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -16.001 -6.022 -4.020 1.00 1.00 H new ATOM 1476 N ARG A 87 -20.058 -7.825 -8.115 1.00 1.00 N ATOM 1477 CA ARG A 87 -20.631 -9.061 -8.734 1.00 1.00 C ATOM 1478 C ARG A 87 -21.310 -8.677 -10.085 1.00 1.00 C ATOM 1479 O ARG A 87 -21.593 -9.506 -10.945 1.00 1.00 O ATOM 1480 CB ARG A 87 -21.685 -9.655 -7.829 1.00 1.00 C ATOM 1481 CG ARG A 87 -21.180 -10.079 -6.475 1.00 1.00 C ATOM 1482 CD ARG A 87 -22.316 -10.718 -5.698 1.00 1.00 C ATOM 1483 NE ARG A 87 -21.905 -11.165 -4.372 1.00 1.00 N ATOM 1484 CZ ARG A 87 -22.634 -11.888 -3.573 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -23.823 -12.281 -3.927 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -22.164 -12.222 -2.415 1.00 1.00 N ATOM 0 H ARG A 87 -20.753 -7.228 -7.666 1.00 1.00 H new ATOM 0 HA ARG A 87 -19.831 -9.785 -8.890 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -22.482 -8.924 -7.693 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -22.126 -10.519 -8.325 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -20.356 -10.784 -6.585 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -20.791 -9.217 -5.932 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -23.132 -10.002 -5.600 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -22.703 -11.568 -6.260 1.00 1.00 H new ATOM 0 HE ARG A 87 -20.978 -10.891 -4.047 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -24.194 -12.023 -4.841 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -24.383 -12.848 -3.290 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -21.231 -11.919 -2.137 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -22.727 -12.789 -1.780 1.00 1.00 H new ATOM 1500 N GLY A 88 -21.502 -7.349 -10.042 1.00 1.00 N ATOM 1501 CA GLY A 88 -22.079 -6.393 -11.031 1.00 1.00 C ATOM 1502 C GLY A 88 -23.500 -6.002 -10.692 1.00 1.00 C ATOM 1503 O GLY A 88 -24.339 -5.967 -11.674 1.00 1.00 O ATOM 1504 OXT GLY A 88 -23.746 -5.648 -9.537 1.00 1.00 O ATOM 0 H GLY A 88 -21.221 -6.842 -9.203 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -21.458 -5.498 -11.072 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -22.056 -6.843 -12.024 1.00 1.00 H new TER 1508 GLY A 88