USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 702 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.231 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 81:sc= 0.0971 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0933) USER MOD Single : A 26 GLN : amide:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 33 GLN : amide:sc= 0.309 K(o=0.31,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.96) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 53 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 58 TYR OH : rot 60:sc= -1.66 USER MOD Single : A 60 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 66 THR OG1 : rot 84:sc= 1.31 USER MOD Single : A 68 GLN : amide:sc= -0.272 K(o=-0.27,f=-0.96) USER MOD Single : A 71 SER OG : rot 61:sc= 1.21 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.360 -22.832 2.018 1.00 0.00 N ATOM 2 CA MET A 1 -12.250 -21.798 2.550 1.00 0.00 C ATOM 3 C MET A 1 -12.297 -20.658 1.577 1.00 0.00 C ATOM 4 O MET A 1 -11.568 -20.668 0.588 1.00 0.00 O ATOM 5 CB MET A 1 -11.767 -21.299 3.927 1.00 0.00 C ATOM 6 CG MET A 1 -11.939 -22.283 5.071 1.00 0.00 C ATOM 7 SD MET A 1 -11.264 -21.648 6.629 1.00 0.00 S ATOM 8 CE MET A 1 -11.781 -22.940 7.766 1.00 0.00 C ATOM 0 H1 MET A 1 -11.878 -23.730 1.941 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.020 -22.547 1.077 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.549 -22.954 2.657 1.00 0.00 H new ATOM 0 HA MET A 1 -13.246 -22.221 2.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.712 -21.037 3.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.306 -20.384 4.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.998 -22.506 5.200 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.445 -23.221 4.818 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.441 -22.696 8.773 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.868 -23.017 7.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.348 -23.891 7.457 1.00 0.00 H new ATOM 20 N GLU A 2 -13.153 -19.687 1.836 1.00 0.00 N ATOM 21 CA GLU A 2 -13.283 -18.527 0.976 1.00 0.00 C ATOM 22 C GLU A 2 -12.078 -17.615 1.173 1.00 0.00 C ATOM 23 O GLU A 2 -11.839 -17.145 2.299 1.00 0.00 O ATOM 24 CB GLU A 2 -14.543 -17.747 1.323 1.00 0.00 C ATOM 25 CG GLU A 2 -15.822 -18.548 1.273 1.00 0.00 C ATOM 26 CD GLU A 2 -17.001 -17.717 1.669 1.00 0.00 C ATOM 27 OE1 GLU A 2 -17.169 -17.433 2.880 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.762 -17.288 0.779 1.00 0.00 O ATOM 0 H GLU A 2 -13.775 -19.680 2.645 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.340 -18.865 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.431 -17.331 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.632 -16.905 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.971 -18.937 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.741 -19.408 1.938 1.00 0.00 H new ATOM 35 N PRO A 3 -11.263 -17.401 0.126 1.00 0.00 N ATOM 36 CA PRO A 3 -10.123 -16.491 0.187 1.00 0.00 C ATOM 37 C PRO A 3 -10.585 -15.037 0.298 1.00 0.00 C ATOM 38 O PRO A 3 -11.347 -14.552 -0.569 1.00 0.00 O ATOM 39 CB PRO A 3 -9.410 -16.705 -1.164 1.00 0.00 C ATOM 40 CG PRO A 3 -9.939 -17.996 -1.667 1.00 0.00 C ATOM 41 CD PRO A 3 -11.350 -18.051 -1.187 1.00 0.00 C ATOM 0 HA PRO A 3 -9.488 -16.684 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.624 -15.892 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.328 -16.742 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.890 -18.045 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.359 -18.836 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.028 -17.523 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.713 -19.076 -1.109 1.00 0.00 H new ATOM 49 N PRO A 4 -10.188 -14.333 1.369 1.00 0.00 N ATOM 50 CA PRO A 4 -10.509 -12.923 1.546 1.00 0.00 C ATOM 51 C PRO A 4 -9.673 -12.066 0.586 1.00 0.00 C ATOM 52 O PRO A 4 -8.547 -12.459 0.237 1.00 0.00 O ATOM 53 CB PRO A 4 -10.109 -12.629 3.005 1.00 0.00 C ATOM 54 CG PRO A 4 -9.822 -13.958 3.620 1.00 0.00 C ATOM 55 CD PRO A 4 -9.405 -14.851 2.498 1.00 0.00 C ATOM 0 HA PRO A 4 -11.556 -12.700 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.234 -11.980 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.912 -12.117 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.034 -13.879 4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.704 -14.352 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -8.333 -14.791 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.635 -15.896 2.705 1.00 0.00 H new ATOM 63 N PRO A 5 -10.207 -10.901 0.142 1.00 0.00 N ATOM 64 CA PRO A 5 -9.534 -10.006 -0.812 1.00 0.00 C ATOM 65 C PRO A 5 -8.080 -9.698 -0.434 1.00 0.00 C ATOM 66 O PRO A 5 -7.799 -9.098 0.616 1.00 0.00 O ATOM 67 CB PRO A 5 -10.386 -8.718 -0.793 1.00 0.00 C ATOM 68 CG PRO A 5 -11.347 -8.891 0.341 1.00 0.00 C ATOM 69 CD PRO A 5 -11.526 -10.368 0.515 1.00 0.00 C ATOM 0 HA PRO A 5 -9.468 -10.469 -1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.762 -7.837 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.913 -8.582 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.960 -8.436 1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.299 -8.407 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.791 -10.625 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.316 -10.758 -0.126 1.00 0.00 H new ATOM 77 N LYS A 6 -7.170 -10.156 -1.265 1.00 0.00 N ATOM 78 CA LYS A 6 -5.756 -9.949 -1.064 1.00 0.00 C ATOM 79 C LYS A 6 -5.385 -8.579 -1.592 1.00 0.00 C ATOM 80 O LYS A 6 -5.661 -8.256 -2.761 1.00 0.00 O ATOM 81 CB LYS A 6 -4.940 -11.014 -1.813 1.00 0.00 C ATOM 82 CG LYS A 6 -5.213 -12.463 -1.409 1.00 0.00 C ATOM 83 CD LYS A 6 -4.410 -13.414 -2.292 1.00 0.00 C ATOM 84 CE LYS A 6 -4.709 -14.883 -2.012 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.224 -15.333 -0.691 1.00 0.00 N ATOM 0 H LYS A 6 -7.394 -10.687 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.534 -10.023 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.135 -10.911 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.881 -10.807 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.946 -12.613 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.277 -12.680 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.625 -13.198 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.346 -13.230 -2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.785 -15.046 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.250 -15.495 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.457 -16.338 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.193 -15.207 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.680 -14.772 0.056 1.00 0.00 H new ATOM 99 N LEU A 7 -4.792 -7.775 -0.756 1.00 0.00 N ATOM 100 CA LEU A 7 -4.385 -6.463 -1.162 1.00 0.00 C ATOM 101 C LEU A 7 -2.963 -6.533 -1.678 1.00 0.00 C ATOM 102 O LEU A 7 -2.016 -6.763 -0.925 1.00 0.00 O ATOM 103 CB LEU A 7 -4.522 -5.465 -0.009 1.00 0.00 C ATOM 104 CG LEU A 7 -5.937 -5.294 0.567 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.933 -4.279 1.686 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.928 -4.881 -0.515 1.00 0.00 C ATOM 0 H LEU A 7 -4.580 -8.008 0.214 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.035 -6.106 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.858 -5.777 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.171 -4.492 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.253 -6.258 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.943 -4.170 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.266 -4.615 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.588 -3.318 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.919 -4.768 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.615 -3.933 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.959 -5.646 -1.291 1.00 0.00 H new ATOM 118 N VAL A 8 -2.823 -6.384 -2.954 1.00 0.00 N ATOM 119 CA VAL A 8 -1.545 -6.511 -3.590 1.00 0.00 C ATOM 120 C VAL A 8 -0.836 -5.170 -3.623 1.00 0.00 C ATOM 121 O VAL A 8 -1.285 -4.236 -4.267 1.00 0.00 O ATOM 122 CB VAL A 8 -1.695 -7.062 -5.034 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.342 -7.236 -5.700 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.446 -8.383 -5.026 1.00 0.00 C ATOM 0 H VAL A 8 -3.591 -6.170 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.950 -7.216 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.267 -6.333 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.480 -7.623 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.167 -6.273 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.261 -7.937 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.541 -8.754 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.898 -9.109 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.438 -8.235 -4.600 1.00 0.00 H new ATOM 134 N LEU A 9 0.234 -5.071 -2.900 1.00 0.00 N ATOM 135 CA LEU A 9 1.026 -3.891 -2.919 1.00 0.00 C ATOM 136 C LEU A 9 2.123 -4.127 -3.935 1.00 0.00 C ATOM 137 O LEU A 9 3.047 -4.907 -3.702 1.00 0.00 O ATOM 138 CB LEU A 9 1.618 -3.638 -1.517 1.00 0.00 C ATOM 139 CG LEU A 9 2.407 -2.341 -1.312 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.509 -1.127 -1.475 1.00 0.00 C ATOM 141 CD2 LEU A 9 3.062 -2.334 0.061 1.00 0.00 C ATOM 0 H LEU A 9 0.579 -5.806 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 9 0.438 -3.013 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.799 -3.652 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.273 -4.474 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 9 3.185 -2.292 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.093 -0.219 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.083 -1.122 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.706 -1.167 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.619 -1.407 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.294 -2.409 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.743 -3.181 0.144 1.00 0.00 H new ATOM 153 N ASP A 10 1.985 -3.516 -5.072 1.00 0.00 N ATOM 154 CA ASP A 10 2.952 -3.657 -6.144 1.00 0.00 C ATOM 155 C ASP A 10 4.170 -2.834 -5.809 1.00 0.00 C ATOM 156 O ASP A 10 4.132 -1.600 -5.858 1.00 0.00 O ATOM 157 CB ASP A 10 2.356 -3.185 -7.461 1.00 0.00 C ATOM 158 CG ASP A 10 3.170 -3.600 -8.653 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.240 -3.014 -8.899 1.00 0.00 O ATOM 160 OD2 ASP A 10 2.739 -4.522 -9.381 1.00 0.00 O ATOM 0 H ASP A 10 1.201 -2.902 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 10 3.228 -4.706 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.346 -3.583 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.270 -2.098 -7.446 1.00 0.00 H new ATOM 165 N LEU A 11 5.235 -3.504 -5.458 1.00 0.00 N ATOM 166 CA LEU A 11 6.435 -2.840 -5.006 1.00 0.00 C ATOM 167 C LEU A 11 7.190 -2.227 -6.156 1.00 0.00 C ATOM 168 O LEU A 11 7.844 -1.202 -5.993 1.00 0.00 O ATOM 169 CB LEU A 11 7.325 -3.787 -4.203 1.00 0.00 C ATOM 170 CG LEU A 11 6.693 -4.393 -2.944 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.688 -5.268 -2.219 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.172 -3.309 -2.017 1.00 0.00 C ATOM 0 H LEU A 11 5.298 -4.522 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 11 6.131 -2.030 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.639 -4.601 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.226 -3.248 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 11 5.849 -5.007 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.221 -5.689 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.009 -6.076 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.553 -4.672 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.729 -3.768 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.995 -2.661 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.417 -2.719 -2.536 1.00 0.00 H new ATOM 184 N GLU A 12 7.053 -2.822 -7.325 1.00 0.00 N ATOM 185 CA GLU A 12 7.700 -2.313 -8.517 1.00 0.00 C ATOM 186 C GLU A 12 7.152 -0.934 -8.857 1.00 0.00 C ATOM 187 O GLU A 12 7.916 -0.007 -9.151 1.00 0.00 O ATOM 188 CB GLU A 12 7.506 -3.272 -9.683 1.00 0.00 C ATOM 189 CG GLU A 12 8.215 -4.600 -9.516 1.00 0.00 C ATOM 190 CD GLU A 12 9.713 -4.442 -9.477 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.318 -4.249 -10.547 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.312 -4.509 -8.397 1.00 0.00 O ATOM 0 H GLU A 12 6.496 -3.663 -7.474 1.00 0.00 H new ATOM 0 HA GLU A 12 8.770 -2.226 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.440 -3.456 -9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.862 -2.794 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.877 -5.078 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.942 -5.262 -10.338 1.00 0.00 H new ATOM 199 N ARG A 13 5.838 -0.799 -8.787 1.00 0.00 N ATOM 200 CA ARG A 13 5.187 0.474 -9.024 1.00 0.00 C ATOM 201 C ARG A 13 5.494 1.427 -7.874 1.00 0.00 C ATOM 202 O ARG A 13 5.900 2.565 -8.093 1.00 0.00 O ATOM 203 CB ARG A 13 3.668 0.293 -9.128 1.00 0.00 C ATOM 204 CG ARG A 13 2.903 1.561 -9.514 1.00 0.00 C ATOM 205 CD ARG A 13 3.123 1.919 -10.975 1.00 0.00 C ATOM 206 NE ARG A 13 2.545 0.901 -11.871 1.00 0.00 N ATOM 207 CZ ARG A 13 3.165 0.345 -12.925 1.00 0.00 C ATOM 208 NH1 ARG A 13 4.422 0.684 -13.225 1.00 0.00 N ATOM 209 NH2 ARG A 13 2.523 -0.545 -13.676 1.00 0.00 N ATOM 0 H ARG A 13 5.199 -1.563 -8.566 1.00 0.00 H new ATOM 0 HA ARG A 13 5.562 0.884 -9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.457 -0.482 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.291 -0.066 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.839 1.416 -9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.226 2.389 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.673 2.889 -11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.191 2.014 -11.171 1.00 0.00 H new ATOM 0 HE ARG A 13 1.593 0.592 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.916 1.368 -12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.888 0.258 -14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.562 -0.804 -13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.991 -0.969 -14.477 1.00 0.00 H new ATOM 223 N LEU A 14 5.330 0.921 -6.651 1.00 0.00 N ATOM 224 CA LEU A 14 5.496 1.699 -5.420 1.00 0.00 C ATOM 225 C LEU A 14 6.863 2.371 -5.341 1.00 0.00 C ATOM 226 O LEU A 14 6.968 3.533 -4.955 1.00 0.00 O ATOM 227 CB LEU A 14 5.311 0.794 -4.197 1.00 0.00 C ATOM 228 CG LEU A 14 5.338 1.485 -2.839 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.146 2.410 -2.688 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.382 0.466 -1.714 1.00 0.00 C ATOM 0 H LEU A 14 5.075 -0.052 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 14 4.736 2.480 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.359 0.273 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.093 0.035 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 14 6.245 2.087 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.183 2.894 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.172 3.168 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.225 1.833 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.401 0.984 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.499 -0.171 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.278 -0.147 -1.813 1.00 0.00 H new ATOM 242 N ALA A 15 7.898 1.643 -5.737 1.00 0.00 N ATOM 243 CA ALA A 15 9.273 2.132 -5.675 1.00 0.00 C ATOM 244 C ALA A 15 9.528 3.294 -6.633 1.00 0.00 C ATOM 245 O ALA A 15 10.496 4.018 -6.483 1.00 0.00 O ATOM 246 CB ALA A 15 10.257 1.002 -5.939 1.00 0.00 C ATOM 0 H ALA A 15 7.811 0.698 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 15 9.426 2.512 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.275 1.387 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.126 0.223 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.075 0.586 -6.930 1.00 0.00 H new ATOM 252 N THR A 16 8.656 3.473 -7.602 1.00 0.00 N ATOM 253 CA THR A 16 8.817 4.534 -8.570 1.00 0.00 C ATOM 254 C THR A 16 8.080 5.817 -8.098 1.00 0.00 C ATOM 255 O THR A 16 8.360 6.934 -8.565 1.00 0.00 O ATOM 256 CB THR A 16 8.287 4.060 -9.938 1.00 0.00 C ATOM 257 OG1 THR A 16 8.902 2.789 -10.253 1.00 0.00 O ATOM 258 CG2 THR A 16 8.623 5.046 -11.051 1.00 0.00 C ATOM 0 H THR A 16 7.827 2.895 -7.740 1.00 0.00 H new ATOM 0 HA THR A 16 9.875 4.779 -8.668 1.00 0.00 H new ATOM 0 HB THR A 16 7.202 3.977 -9.872 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.431 2.071 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.231 4.673 -11.998 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.173 6.014 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.705 5.157 -11.124 1.00 0.00 H new ATOM 266 N VAL A 17 7.184 5.654 -7.140 1.00 0.00 N ATOM 267 CA VAL A 17 6.412 6.763 -6.616 1.00 0.00 C ATOM 268 C VAL A 17 7.293 7.568 -5.648 1.00 0.00 C ATOM 269 O VAL A 17 7.962 6.973 -4.795 1.00 0.00 O ATOM 270 CB VAL A 17 5.124 6.264 -5.885 1.00 0.00 C ATOM 271 CG1 VAL A 17 4.267 7.430 -5.397 1.00 0.00 C ATOM 272 CG2 VAL A 17 4.306 5.350 -6.791 1.00 0.00 C ATOM 0 H VAL A 17 6.973 4.755 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 17 6.094 7.395 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 17 5.445 5.696 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.380 7.044 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.844 8.039 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.965 8.040 -6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.414 5.015 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.012 5.895 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.907 4.485 -7.073 1.00 0.00 H new ATOM 282 N PRO A 18 7.355 8.921 -5.822 1.00 0.00 N ATOM 283 CA PRO A 18 8.157 9.824 -4.976 1.00 0.00 C ATOM 284 C PRO A 18 8.040 9.538 -3.470 1.00 0.00 C ATOM 285 O PRO A 18 6.934 9.273 -2.941 1.00 0.00 O ATOM 286 CB PRO A 18 7.571 11.196 -5.295 1.00 0.00 C ATOM 287 CG PRO A 18 7.154 11.084 -6.713 1.00 0.00 C ATOM 288 CD PRO A 18 6.660 9.673 -6.891 1.00 0.00 C ATOM 0 HA PRO A 18 9.221 9.717 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.726 11.430 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.308 11.987 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.370 11.804 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.988 11.292 -7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.577 9.611 -6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.906 9.284 -7.879 1.00 0.00 H new ATOM 296 N ALA A 19 9.178 9.631 -2.787 1.00 0.00 N ATOM 297 CA ALA A 19 9.308 9.368 -1.350 1.00 0.00 C ATOM 298 C ALA A 19 8.395 10.267 -0.517 1.00 0.00 C ATOM 299 O ALA A 19 7.966 9.901 0.565 1.00 0.00 O ATOM 300 CB ALA A 19 10.757 9.529 -0.914 1.00 0.00 C ATOM 0 H ALA A 19 10.059 9.898 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 19 8.994 8.339 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.840 9.331 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.382 8.825 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.088 10.547 -1.121 1.00 0.00 H new ATOM 306 N GLU A 20 8.074 11.411 -1.051 1.00 0.00 N ATOM 307 CA GLU A 20 7.170 12.351 -0.406 1.00 0.00 C ATOM 308 C GLU A 20 5.751 11.772 -0.262 1.00 0.00 C ATOM 309 O GLU A 20 4.975 12.206 0.595 1.00 0.00 O ATOM 310 CB GLU A 20 7.180 13.647 -1.182 1.00 0.00 C ATOM 311 CG GLU A 20 8.516 14.348 -1.079 1.00 0.00 C ATOM 312 CD GLU A 20 8.748 15.335 -2.170 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.309 16.492 -2.061 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.407 14.970 -3.167 1.00 0.00 O ATOM 0 H GLU A 20 8.429 11.730 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 20 7.516 12.544 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.954 13.446 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.395 14.303 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.578 14.858 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.312 13.603 -1.097 1.00 0.00 H new ATOM 321 N LYS A 21 5.424 10.787 -1.083 1.00 0.00 N ATOM 322 CA LYS A 21 4.142 10.118 -0.984 1.00 0.00 C ATOM 323 C LYS A 21 4.323 8.682 -0.494 1.00 0.00 C ATOM 324 O LYS A 21 3.715 8.270 0.491 1.00 0.00 O ATOM 325 CB LYS A 21 3.389 10.096 -2.330 1.00 0.00 C ATOM 326 CG LYS A 21 3.031 11.459 -2.902 1.00 0.00 C ATOM 327 CD LYS A 21 2.290 11.306 -4.227 1.00 0.00 C ATOM 328 CE LYS A 21 1.862 12.649 -4.815 1.00 0.00 C ATOM 329 NZ LYS A 21 0.899 13.369 -3.953 1.00 0.00 N ATOM 0 H LYS A 21 6.030 10.435 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 21 3.548 10.686 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.000 9.564 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.471 9.522 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.410 12.006 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.937 12.046 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.931 10.788 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.410 10.681 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.743 13.272 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.414 12.486 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.526 14.195 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.115 12.734 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.378 13.685 -3.086 1.00 0.00 H new ATOM 343 N ALA A 22 5.190 7.943 -1.168 1.00 0.00 N ATOM 344 CA ALA A 22 5.343 6.512 -0.919 1.00 0.00 C ATOM 345 C ALA A 22 6.587 6.159 -0.108 1.00 0.00 C ATOM 346 O ALA A 22 6.828 4.996 0.155 1.00 0.00 O ATOM 347 CB ALA A 22 5.366 5.771 -2.237 1.00 0.00 C ATOM 0 H ALA A 22 5.803 8.310 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 22 4.487 6.207 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.480 4.703 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.433 5.949 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.202 6.126 -2.840 1.00 0.00 H new ATOM 353 N GLY A 23 7.338 7.153 0.303 1.00 0.00 N ATOM 354 CA GLY A 23 8.604 6.934 1.025 1.00 0.00 C ATOM 355 C GLY A 23 8.473 6.088 2.285 1.00 0.00 C ATOM 356 O GLY A 23 9.076 5.009 2.364 1.00 0.00 O ATOM 0 H GLY A 23 7.106 8.135 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.313 6.453 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.026 7.902 1.295 1.00 0.00 H new ATOM 360 N PRO A 24 7.682 6.520 3.294 1.00 0.00 N ATOM 361 CA PRO A 24 7.506 5.745 4.524 1.00 0.00 C ATOM 362 C PRO A 24 6.800 4.405 4.254 1.00 0.00 C ATOM 363 O PRO A 24 6.961 3.430 5.010 1.00 0.00 O ATOM 364 CB PRO A 24 6.653 6.655 5.418 1.00 0.00 C ATOM 365 CG PRO A 24 5.975 7.595 4.479 1.00 0.00 C ATOM 366 CD PRO A 24 6.930 7.799 3.337 1.00 0.00 C ATOM 0 HA PRO A 24 8.457 5.478 4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.927 6.077 5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.271 7.193 6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.029 7.182 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.747 8.541 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.404 7.989 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.590 8.649 3.510 1.00 0.00 H new ATOM 374 N LEU A 25 6.078 4.350 3.151 1.00 0.00 N ATOM 375 CA LEU A 25 5.375 3.156 2.751 1.00 0.00 C ATOM 376 C LEU A 25 6.361 2.138 2.191 1.00 0.00 C ATOM 377 O LEU A 25 6.288 0.963 2.519 1.00 0.00 O ATOM 378 CB LEU A 25 4.244 3.499 1.758 1.00 0.00 C ATOM 379 CG LEU A 25 3.400 2.332 1.214 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.830 1.486 2.342 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.264 2.872 0.367 1.00 0.00 C ATOM 0 H LEU A 25 5.965 5.135 2.510 1.00 0.00 H new ATOM 0 HA LEU A 25 4.899 2.703 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.570 4.203 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.688 4.018 0.909 1.00 0.00 H new ATOM 0 HG LEU A 25 4.051 1.702 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.240 0.671 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.646 1.075 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.195 2.105 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.669 2.043 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.633 3.520 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.672 3.442 -0.468 1.00 0.00 H new ATOM 393 N GLN A 26 7.320 2.610 1.392 1.00 0.00 N ATOM 394 CA GLN A 26 8.381 1.755 0.863 1.00 0.00 C ATOM 395 C GLN A 26 9.212 1.204 2.005 1.00 0.00 C ATOM 396 O GLN A 26 9.582 0.029 2.007 1.00 0.00 O ATOM 397 CB GLN A 26 9.293 2.509 -0.115 1.00 0.00 C ATOM 398 CG GLN A 26 8.634 2.927 -1.423 1.00 0.00 C ATOM 399 CD GLN A 26 9.600 3.647 -2.349 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.808 3.397 -2.324 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.089 4.508 -3.188 1.00 0.00 N ATOM 0 H GLN A 26 7.382 3.584 1.097 1.00 0.00 H new ATOM 0 HA GLN A 26 7.905 0.941 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.675 3.401 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.153 1.879 -0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.240 2.045 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.786 3.577 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.086 4.692 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.693 4.997 -3.849 1.00 0.00 H new ATOM 410 N ARG A 27 9.483 2.060 2.992 1.00 0.00 N ATOM 411 CA ARG A 27 10.235 1.646 4.174 1.00 0.00 C ATOM 412 C ARG A 27 9.500 0.539 4.901 1.00 0.00 C ATOM 413 O ARG A 27 10.080 -0.510 5.216 1.00 0.00 O ATOM 414 CB ARG A 27 10.450 2.790 5.161 1.00 0.00 C ATOM 415 CG ARG A 27 11.192 3.993 4.625 1.00 0.00 C ATOM 416 CD ARG A 27 11.650 4.911 5.759 1.00 0.00 C ATOM 417 NE ARG A 27 10.563 5.307 6.684 1.00 0.00 N ATOM 418 CZ ARG A 27 10.668 6.271 7.624 1.00 0.00 C ATOM 419 NH1 ARG A 27 11.815 6.942 7.773 1.00 0.00 N ATOM 420 NH2 ARG A 27 9.636 6.538 8.424 1.00 0.00 N ATOM 0 H ARG A 27 9.194 3.038 2.995 1.00 0.00 H new ATOM 0 HA ARG A 27 11.206 1.305 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.476 3.120 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.996 2.404 6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.057 3.663 4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.547 4.547 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.433 4.408 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.094 5.809 5.330 1.00 0.00 H new ATOM 0 HE ARG A 27 9.672 4.817 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.613 6.726 7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.892 7.670 8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.766 6.014 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.716 7.266 9.134 1.00 0.00 H new ATOM 434 N TYR A 28 8.217 0.773 5.151 1.00 0.00 N ATOM 435 CA TYR A 28 7.390 -0.177 5.864 1.00 0.00 C ATOM 436 C TYR A 28 7.297 -1.481 5.068 1.00 0.00 C ATOM 437 O TYR A 28 7.477 -2.554 5.623 1.00 0.00 O ATOM 438 CB TYR A 28 5.983 0.393 6.136 1.00 0.00 C ATOM 439 CG TYR A 28 5.260 -0.312 7.283 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.877 -1.636 7.190 1.00 0.00 C ATOM 441 CD2 TYR A 28 4.983 0.357 8.464 1.00 0.00 C ATOM 442 CE1 TYR A 28 4.252 -2.276 8.232 1.00 0.00 C ATOM 443 CE2 TYR A 28 4.349 -0.277 9.515 1.00 0.00 C ATOM 444 CZ TYR A 28 3.992 -1.598 9.390 1.00 0.00 C ATOM 445 OH TYR A 28 3.375 -2.245 10.430 1.00 0.00 O ATOM 0 H TYR A 28 7.729 1.622 4.865 1.00 0.00 H new ATOM 0 HA TYR A 28 7.854 -0.378 6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.066 1.455 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.383 0.309 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.073 -2.180 6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.268 1.394 8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.966 -3.313 8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.136 0.261 10.427 1.00 0.00 H new ATOM 0 HH TYR A 28 3.263 -1.625 11.181 1.00 0.00 H new ATOM 455 N ALA A 29 7.070 -1.369 3.764 1.00 0.00 N ATOM 456 CA ALA A 29 6.969 -2.526 2.873 1.00 0.00 C ATOM 457 C ALA A 29 8.237 -3.372 2.920 1.00 0.00 C ATOM 458 O ALA A 29 8.170 -4.594 3.021 1.00 0.00 O ATOM 459 CB ALA A 29 6.687 -2.080 1.450 1.00 0.00 C ATOM 0 H ALA A 29 6.950 -0.473 3.291 1.00 0.00 H new ATOM 0 HA ALA A 29 6.139 -3.141 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.615 -2.954 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.747 -1.529 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.496 -1.437 1.103 1.00 0.00 H new ATOM 465 N ALA A 30 9.388 -2.708 2.904 1.00 0.00 N ATOM 466 CA ALA A 30 10.679 -3.389 2.983 1.00 0.00 C ATOM 467 C ALA A 30 10.835 -4.080 4.335 1.00 0.00 C ATOM 468 O ALA A 30 11.487 -5.133 4.449 1.00 0.00 O ATOM 469 CB ALA A 30 11.808 -2.403 2.764 1.00 0.00 C ATOM 0 H ALA A 30 9.455 -1.692 2.837 1.00 0.00 H new ATOM 0 HA ALA A 30 10.720 -4.146 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.763 -2.924 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.707 -1.947 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.768 -1.628 3.529 1.00 0.00 H new ATOM 475 N THR A 31 10.216 -3.497 5.344 1.00 0.00 N ATOM 476 CA THR A 31 10.222 -4.053 6.674 1.00 0.00 C ATOM 477 C THR A 31 9.326 -5.309 6.697 1.00 0.00 C ATOM 478 O THR A 31 9.695 -6.327 7.269 1.00 0.00 O ATOM 479 CB THR A 31 9.737 -3.001 7.708 1.00 0.00 C ATOM 480 OG1 THR A 31 10.542 -1.801 7.576 1.00 0.00 O ATOM 481 CG2 THR A 31 9.859 -3.529 9.136 1.00 0.00 C ATOM 0 H THR A 31 9.696 -2.624 5.259 1.00 0.00 H new ATOM 0 HA THR A 31 11.239 -4.335 6.948 1.00 0.00 H new ATOM 0 HB THR A 31 8.687 -2.784 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.237 -1.286 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.512 -2.769 9.836 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.251 -4.427 9.245 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.901 -3.768 9.348 1.00 0.00 H new ATOM 489 N ILE A 32 8.177 -5.237 6.008 1.00 0.00 N ATOM 490 CA ILE A 32 7.259 -6.377 5.889 1.00 0.00 C ATOM 491 C ILE A 32 7.977 -7.514 5.182 1.00 0.00 C ATOM 492 O ILE A 32 7.869 -8.672 5.580 1.00 0.00 O ATOM 493 CB ILE A 32 5.971 -6.027 5.087 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.247 -4.842 5.719 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.034 -7.243 5.011 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.003 -4.399 4.966 1.00 0.00 C ATOM 0 H ILE A 32 7.862 -4.397 5.523 1.00 0.00 H new ATOM 0 HA ILE A 32 6.956 -6.660 6.897 1.00 0.00 H new ATOM 0 HB ILE A 32 6.267 -5.752 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.967 -5.104 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.938 -4.001 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.140 -6.979 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.546 -8.067 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.750 -7.547 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.548 -3.553 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.277 -4.103 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.291 -5.223 4.923 1.00 0.00 H new ATOM 508 N GLN A 33 8.739 -7.163 4.144 1.00 0.00 N ATOM 509 CA GLN A 33 9.536 -8.137 3.423 1.00 0.00 C ATOM 510 C GLN A 33 10.515 -8.821 4.354 1.00 0.00 C ATOM 511 O GLN A 33 10.672 -10.025 4.304 1.00 0.00 O ATOM 512 CB GLN A 33 10.293 -7.520 2.256 1.00 0.00 C ATOM 513 CG GLN A 33 9.429 -7.004 1.130 1.00 0.00 C ATOM 514 CD GLN A 33 10.274 -6.536 -0.026 1.00 0.00 C ATOM 515 OE1 GLN A 33 10.664 -5.366 -0.101 1.00 0.00 O ATOM 516 NE2 GLN A 33 10.569 -7.431 -0.935 1.00 0.00 N ATOM 0 H GLN A 33 8.816 -6.210 3.790 1.00 0.00 H new ATOM 0 HA GLN A 33 8.839 -8.870 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.901 -6.697 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.979 -8.265 1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.752 -7.791 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.810 -6.182 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.228 -8.388 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.139 -7.172 -1.740 1.00 0.00 H new ATOM 525 N SER A 34 11.133 -8.052 5.226 1.00 0.00 N ATOM 526 CA SER A 34 12.079 -8.587 6.183 1.00 0.00 C ATOM 527 C SER A 34 11.359 -9.535 7.155 1.00 0.00 C ATOM 528 O SER A 34 11.807 -10.655 7.386 1.00 0.00 O ATOM 529 CB SER A 34 12.784 -7.442 6.927 1.00 0.00 C ATOM 530 OG SER A 34 13.813 -7.920 7.777 1.00 0.00 O ATOM 0 H SER A 34 10.995 -7.044 5.292 1.00 0.00 H new ATOM 0 HA SER A 34 12.843 -9.160 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.205 -6.744 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.054 -6.888 7.517 1.00 0.00 H new ATOM 0 HG SER A 34 14.239 -7.164 8.232 1.00 0.00 H new ATOM 536 N GLN A 35 10.197 -9.109 7.639 1.00 0.00 N ATOM 537 CA GLN A 35 9.374 -9.897 8.567 1.00 0.00 C ATOM 538 C GLN A 35 8.865 -11.190 7.906 1.00 0.00 C ATOM 539 O GLN A 35 8.547 -12.170 8.580 1.00 0.00 O ATOM 540 CB GLN A 35 8.185 -9.056 9.054 1.00 0.00 C ATOM 541 CG GLN A 35 8.592 -7.791 9.799 1.00 0.00 C ATOM 542 CD GLN A 35 7.420 -6.893 10.165 1.00 0.00 C ATOM 543 OE1 GLN A 35 6.396 -6.853 9.475 1.00 0.00 O ATOM 544 NE2 GLN A 35 7.570 -6.141 11.223 1.00 0.00 N ATOM 0 H GLN A 35 9.792 -8.203 7.401 1.00 0.00 H new ATOM 0 HA GLN A 35 9.997 -10.175 9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.571 -8.780 8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.563 -9.667 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.122 -8.071 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.292 -7.227 9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.428 -6.198 11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.829 -5.497 11.500 1.00 0.00 H new ATOM 553 N ARG A 36 8.786 -11.187 6.595 1.00 0.00 N ATOM 554 CA ARG A 36 8.323 -12.339 5.853 1.00 0.00 C ATOM 555 C ARG A 36 9.502 -13.197 5.381 1.00 0.00 C ATOM 556 O ARG A 36 9.341 -14.379 5.087 1.00 0.00 O ATOM 557 CB ARG A 36 7.508 -11.871 4.635 1.00 0.00 C ATOM 558 CG ARG A 36 6.785 -12.986 3.900 1.00 0.00 C ATOM 559 CD ARG A 36 6.099 -12.483 2.641 1.00 0.00 C ATOM 560 NE ARG A 36 5.260 -13.518 2.031 1.00 0.00 N ATOM 561 CZ ARG A 36 5.137 -13.749 0.712 1.00 0.00 C ATOM 562 NH1 ARG A 36 5.939 -13.147 -0.171 1.00 0.00 N ATOM 563 NH2 ARG A 36 4.240 -14.631 0.284 1.00 0.00 N ATOM 0 H ARG A 36 9.040 -10.388 6.013 1.00 0.00 H new ATOM 0 HA ARG A 36 7.697 -12.944 6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.775 -11.134 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.176 -11.366 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.497 -13.769 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.045 -13.437 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.487 -11.614 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.851 -12.154 1.923 1.00 0.00 H new ATOM 0 HE ARG A 36 4.723 -14.114 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.659 -12.500 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.831 -13.334 -1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.652 -15.126 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.140 -14.813 -0.715 1.00 0.00 H new ATOM 577 N GLY A 37 10.684 -12.607 5.342 1.00 0.00 N ATOM 578 CA GLY A 37 11.821 -13.284 4.747 1.00 0.00 C ATOM 579 C GLY A 37 11.629 -13.321 3.246 1.00 0.00 C ATOM 580 O GLY A 37 11.889 -14.331 2.579 1.00 0.00 O ATOM 0 H GLY A 37 10.880 -11.676 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.745 -12.763 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.908 -14.296 5.142 1.00 0.00 H new ATOM 584 N ASP A 38 11.130 -12.215 2.737 1.00 0.00 N ATOM 585 CA ASP A 38 10.757 -12.070 1.343 1.00 0.00 C ATOM 586 C ASP A 38 11.915 -11.568 0.498 1.00 0.00 C ATOM 587 O ASP A 38 12.724 -10.739 0.945 1.00 0.00 O ATOM 588 CB ASP A 38 9.564 -11.108 1.214 1.00 0.00 C ATOM 589 CG ASP A 38 9.101 -10.905 -0.217 1.00 0.00 C ATOM 590 OD1 ASP A 38 9.646 -10.030 -0.904 1.00 0.00 O ATOM 591 OD2 ASP A 38 8.188 -11.644 -0.669 1.00 0.00 O ATOM 0 H ASP A 38 10.968 -11.374 3.290 1.00 0.00 H new ATOM 0 HA ASP A 38 10.476 -13.056 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.733 -11.492 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.839 -10.143 1.639 1.00 0.00 H new ATOM 596 N TYR A 39 11.995 -12.080 -0.699 1.00 0.00 N ATOM 597 CA TYR A 39 12.993 -11.692 -1.673 1.00 0.00 C ATOM 598 C TYR A 39 12.349 -11.577 -3.055 1.00 0.00 C ATOM 599 O TYR A 39 13.024 -11.383 -4.071 1.00 0.00 O ATOM 600 CB TYR A 39 14.154 -12.710 -1.679 1.00 0.00 C ATOM 601 CG TYR A 39 13.705 -14.166 -1.702 1.00 0.00 C ATOM 602 CD1 TYR A 39 13.316 -14.790 -2.882 1.00 0.00 C ATOM 603 CD2 TYR A 39 13.668 -14.910 -0.529 1.00 0.00 C ATOM 604 CE1 TYR A 39 12.902 -16.106 -2.888 1.00 0.00 C ATOM 605 CE2 TYR A 39 13.259 -16.224 -0.530 1.00 0.00 C ATOM 606 CZ TYR A 39 12.877 -16.817 -1.709 1.00 0.00 C ATOM 607 OH TYR A 39 12.453 -18.127 -1.701 1.00 0.00 O ATOM 0 H TYR A 39 11.354 -12.797 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 39 13.403 -10.718 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.784 -12.521 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.772 -12.545 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.338 -14.236 -3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.966 -14.448 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.599 -16.576 -3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.238 -16.786 0.392 1.00 0.00 H new ATOM 0 HH TYR A 39 12.499 -18.480 -0.788 1.00 0.00 H new ATOM 617 N ASN A 40 11.045 -11.619 -3.076 1.00 0.00 N ATOM 618 CA ASN A 40 10.288 -11.643 -4.316 1.00 0.00 C ATOM 619 C ASN A 40 9.372 -10.434 -4.331 1.00 0.00 C ATOM 620 O ASN A 40 8.200 -10.494 -4.705 1.00 0.00 O ATOM 621 CB ASN A 40 9.500 -12.967 -4.404 1.00 0.00 C ATOM 622 CG ASN A 40 8.783 -13.163 -5.729 1.00 0.00 C ATOM 623 OD1 ASN A 40 9.197 -12.635 -6.763 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.735 -13.943 -5.722 1.00 0.00 N ATOM 0 H ASN A 40 10.467 -11.638 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 40 10.944 -11.594 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.186 -13.799 -4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.768 -12.999 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.233 -14.131 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.419 -14.364 -4.849 1.00 0.00 H new ATOM 631 N GLY A 41 9.950 -9.316 -3.981 1.00 0.00 N ATOM 632 CA GLY A 41 9.218 -8.092 -3.836 1.00 0.00 C ATOM 633 C GLY A 41 8.853 -7.390 -5.130 1.00 0.00 C ATOM 634 O GLY A 41 9.182 -6.225 -5.311 1.00 0.00 O ATOM 0 H GLY A 41 10.948 -9.231 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.301 -8.301 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.807 -7.407 -3.226 1.00 0.00 H new ATOM 638 N LYS A 42 8.200 -8.090 -6.026 1.00 0.00 N ATOM 639 CA LYS A 42 7.617 -7.457 -7.196 1.00 0.00 C ATOM 640 C LYS A 42 6.268 -6.960 -6.777 1.00 0.00 C ATOM 641 O LYS A 42 5.862 -5.827 -7.066 1.00 0.00 O ATOM 642 CB LYS A 42 7.474 -8.424 -8.388 1.00 0.00 C ATOM 643 CG LYS A 42 8.698 -8.566 -9.284 1.00 0.00 C ATOM 644 CD LYS A 42 9.916 -9.069 -8.550 1.00 0.00 C ATOM 645 CE LYS A 42 11.113 -9.109 -9.476 1.00 0.00 C ATOM 646 NZ LYS A 42 12.349 -9.438 -8.753 1.00 0.00 N ATOM 0 H LYS A 42 8.056 -9.098 -5.972 1.00 0.00 H new ATOM 0 HA LYS A 42 8.268 -6.653 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.215 -9.410 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.636 -8.092 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.465 -9.250 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.926 -7.599 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.128 -8.422 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.723 -10.065 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.942 -9.847 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.225 -8.143 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.147 -9.456 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.525 -8.720 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.251 -10.371 -8.305 1.00 0.00 H new ATOM 660 N VAL A 43 5.588 -7.823 -6.068 1.00 0.00 N ATOM 661 CA VAL A 43 4.335 -7.545 -5.455 1.00 0.00 C ATOM 662 C VAL A 43 4.398 -8.106 -4.051 1.00 0.00 C ATOM 663 O VAL A 43 5.079 -9.108 -3.812 1.00 0.00 O ATOM 664 CB VAL A 43 3.109 -8.153 -6.228 1.00 0.00 C ATOM 665 CG1 VAL A 43 2.940 -7.511 -7.594 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.224 -9.669 -6.377 1.00 0.00 C ATOM 0 H VAL A 43 5.914 -8.775 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 43 4.174 -6.467 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 43 2.225 -7.936 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.083 -7.955 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.776 -6.440 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.839 -7.677 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.356 -10.048 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.131 -9.912 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.267 -10.129 -5.390 1.00 0.00 H new ATOM 676 N LEU A 44 3.783 -7.443 -3.140 1.00 0.00 N ATOM 677 CA LEU A 44 3.732 -7.878 -1.778 1.00 0.00 C ATOM 678 C LEU A 44 2.286 -7.952 -1.369 1.00 0.00 C ATOM 679 O LEU A 44 1.549 -6.986 -1.515 1.00 0.00 O ATOM 680 CB LEU A 44 4.490 -6.888 -0.888 1.00 0.00 C ATOM 681 CG LEU A 44 4.567 -7.217 0.603 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.325 -8.520 0.839 1.00 0.00 C ATOM 683 CD2 LEU A 44 5.221 -6.076 1.356 1.00 0.00 C ATOM 0 H LEU A 44 3.290 -6.567 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 44 4.200 -8.857 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.507 -6.800 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.023 -5.909 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 44 3.552 -7.349 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.364 -8.729 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.814 -9.336 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.339 -8.427 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.271 -6.321 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.229 -5.918 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.634 -5.167 1.221 1.00 0.00 H new ATOM 695 N SER A 45 1.866 -9.082 -0.913 1.00 0.00 N ATOM 696 CA SER A 45 0.501 -9.244 -0.511 1.00 0.00 C ATOM 697 C SER A 45 0.325 -8.761 0.920 1.00 0.00 C ATOM 698 O SER A 45 0.803 -9.396 1.870 1.00 0.00 O ATOM 699 CB SER A 45 0.107 -10.701 -0.636 1.00 0.00 C ATOM 700 OG SER A 45 0.450 -11.202 -1.931 1.00 0.00 O ATOM 0 H SER A 45 2.447 -9.914 -0.807 1.00 0.00 H new ATOM 0 HA SER A 45 -0.145 -8.650 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.610 -11.287 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.965 -10.810 -0.469 1.00 0.00 H new ATOM 0 HG SER A 45 0.191 -12.145 -1.996 1.00 0.00 H new ATOM 706 N ILE A 46 -0.309 -7.637 1.076 1.00 0.00 N ATOM 707 CA ILE A 46 -0.555 -7.101 2.375 1.00 0.00 C ATOM 708 C ILE A 46 -1.967 -7.447 2.797 1.00 0.00 C ATOM 709 O ILE A 46 -2.763 -7.961 1.996 1.00 0.00 O ATOM 710 CB ILE A 46 -0.293 -5.568 2.475 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.160 -4.784 1.474 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.192 -5.274 2.262 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.993 -3.281 1.548 1.00 0.00 C ATOM 0 H ILE A 46 -0.668 -7.070 0.308 1.00 0.00 H new ATOM 0 HA ILE A 46 0.159 -7.559 3.060 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.574 -5.238 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.918 -5.115 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.207 -5.030 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.364 -4.200 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.778 -5.787 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.494 -5.625 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.639 -2.806 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.264 -2.933 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.045 -3.020 1.343 1.00 0.00 H new ATOM 725 N ARG A 47 -2.288 -7.180 4.021 1.00 0.00 N ATOM 726 CA ARG A 47 -3.561 -7.582 4.550 1.00 0.00 C ATOM 727 C ARG A 47 -4.471 -6.386 4.622 1.00 0.00 C ATOM 728 O ARG A 47 -4.007 -5.240 4.514 1.00 0.00 O ATOM 729 CB ARG A 47 -3.436 -8.232 5.956 1.00 0.00 C ATOM 730 CG ARG A 47 -2.417 -9.366 6.073 1.00 0.00 C ATOM 731 CD ARG A 47 -0.992 -8.850 6.157 1.00 0.00 C ATOM 732 NE ARG A 47 -0.019 -9.923 6.099 1.00 0.00 N ATOM 733 CZ ARG A 47 1.231 -9.842 6.560 1.00 0.00 C ATOM 734 NH1 ARG A 47 1.706 -8.685 7.055 1.00 0.00 N ATOM 735 NH2 ARG A 47 2.013 -10.907 6.494 1.00 0.00 N ATOM 0 H ARG A 47 -1.688 -6.684 4.679 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.976 -8.335 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.172 -7.455 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.414 -8.615 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.639 -9.961 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.512 -10.028 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.811 -8.152 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.863 -8.294 7.085 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.311 -10.804 5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.109 -7.858 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.663 -8.635 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.659 -11.776 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.970 -10.859 6.843 1.00 0.00 H new ATOM 749 N GLN A 48 -5.738 -6.642 4.837 1.00 0.00 N ATOM 750 CA GLN A 48 -6.743 -5.595 4.941 1.00 0.00 C ATOM 751 C GLN A 48 -6.434 -4.741 6.158 1.00 0.00 C ATOM 752 O GLN A 48 -6.334 -3.514 6.077 1.00 0.00 O ATOM 753 CB GLN A 48 -8.120 -6.231 5.076 1.00 0.00 C ATOM 754 CG GLN A 48 -8.464 -7.191 3.942 1.00 0.00 C ATOM 755 CD GLN A 48 -9.754 -7.935 4.193 1.00 0.00 C ATOM 756 OE1 GLN A 48 -10.659 -7.425 4.830 1.00 0.00 O ATOM 757 NE2 GLN A 48 -9.839 -9.151 3.714 1.00 0.00 N ATOM 0 H GLN A 48 -6.110 -7.585 4.946 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.732 -4.969 4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.172 -6.768 6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.872 -5.443 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.544 -6.634 3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.652 -7.908 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.062 -9.546 3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.683 -9.703 3.870 1.00 0.00 H new ATOM 766 N ASP A 49 -6.209 -5.416 7.266 1.00 0.00 N ATOM 767 CA ASP A 49 -5.852 -4.778 8.528 1.00 0.00 C ATOM 768 C ASP A 49 -4.461 -4.141 8.451 1.00 0.00 C ATOM 769 O ASP A 49 -4.178 -3.150 9.125 1.00 0.00 O ATOM 770 CB ASP A 49 -5.912 -5.799 9.670 1.00 0.00 C ATOM 771 CG ASP A 49 -5.387 -5.264 10.985 1.00 0.00 C ATOM 772 OD1 ASP A 49 -6.167 -4.672 11.763 1.00 0.00 O ATOM 773 OD2 ASP A 49 -4.192 -5.450 11.275 1.00 0.00 O ATOM 0 H ASP A 49 -6.268 -6.433 7.322 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.573 -3.984 8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.944 -6.122 9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.336 -6.681 9.389 1.00 0.00 H new ATOM 778 N ASP A 50 -3.621 -4.678 7.596 1.00 0.00 N ATOM 779 CA ASP A 50 -2.252 -4.171 7.448 1.00 0.00 C ATOM 780 C ASP A 50 -2.315 -2.785 6.816 1.00 0.00 C ATOM 781 O ASP A 50 -1.735 -1.826 7.320 1.00 0.00 O ATOM 782 CB ASP A 50 -1.422 -5.100 6.563 1.00 0.00 C ATOM 783 CG ASP A 50 0.042 -5.133 6.929 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.716 -4.104 6.891 1.00 0.00 O ATOM 785 OD2 ASP A 50 0.538 -6.241 7.276 1.00 0.00 O ATOM 0 H ASP A 50 -3.849 -5.465 6.988 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.778 -4.122 8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.828 -6.110 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.522 -4.784 5.525 1.00 0.00 H new ATOM 790 N LEU A 51 -3.111 -2.672 5.749 1.00 0.00 N ATOM 791 CA LEU A 51 -3.291 -1.403 5.050 1.00 0.00 C ATOM 792 C LEU A 51 -4.062 -0.419 5.945 1.00 0.00 C ATOM 793 O LEU A 51 -3.807 0.786 5.927 1.00 0.00 O ATOM 794 CB LEU A 51 -4.026 -1.617 3.720 1.00 0.00 C ATOM 795 CG LEU A 51 -4.069 -0.406 2.780 1.00 0.00 C ATOM 796 CD1 LEU A 51 -2.662 -0.021 2.343 1.00 0.00 C ATOM 797 CD2 LEU A 51 -4.941 -0.686 1.568 1.00 0.00 C ATOM 0 H LEU A 51 -3.641 -3.448 5.352 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.311 -0.981 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.552 -2.445 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.050 -1.921 3.937 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.507 0.429 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.711 0.840 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.065 0.232 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.201 -0.859 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.953 0.189 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.540 -1.539 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.957 -0.910 1.894 1.00 0.00 H new ATOM 809 N ARG A 52 -4.994 -0.967 6.729 1.00 0.00 N ATOM 810 CA ARG A 52 -5.759 -0.227 7.755 1.00 0.00 C ATOM 811 C ARG A 52 -4.777 0.487 8.696 1.00 0.00 C ATOM 812 O ARG A 52 -4.931 1.664 9.009 1.00 0.00 O ATOM 813 CB ARG A 52 -6.595 -1.261 8.533 1.00 0.00 C ATOM 814 CG ARG A 52 -7.421 -0.776 9.719 1.00 0.00 C ATOM 815 CD ARG A 52 -8.073 -1.990 10.391 1.00 0.00 C ATOM 816 NE ARG A 52 -8.900 -1.664 11.566 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.402 -2.585 12.426 1.00 0.00 C ATOM 818 NH1 ARG A 52 -9.085 -3.880 12.292 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.200 -2.208 13.422 1.00 0.00 N ATOM 0 H ARG A 52 -5.248 -1.953 6.673 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.410 0.523 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.275 -1.738 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.916 -2.034 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.787 -0.246 10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.184 -0.073 9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.693 -2.507 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.291 -2.686 10.694 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.109 -0.682 11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.463 -4.178 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.466 -4.568 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.436 -1.223 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.575 -2.904 14.066 1.00 0.00 H new ATOM 833 N THR A 53 -3.746 -0.242 9.078 1.00 0.00 N ATOM 834 CA THR A 53 -2.698 0.246 9.944 1.00 0.00 C ATOM 835 C THR A 53 -1.882 1.339 9.229 1.00 0.00 C ATOM 836 O THR A 53 -1.682 2.441 9.769 1.00 0.00 O ATOM 837 CB THR A 53 -1.781 -0.937 10.323 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.583 -1.989 10.900 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.688 -0.517 11.298 1.00 0.00 C ATOM 0 H THR A 53 -3.614 -1.211 8.787 1.00 0.00 H new ATOM 0 HA THR A 53 -3.136 0.679 10.843 1.00 0.00 H new ATOM 0 HB THR A 53 -1.289 -1.293 9.418 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.032 -2.487 10.186 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.065 -1.378 11.539 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.073 0.260 10.843 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.143 -0.131 12.210 1.00 0.00 H new ATOM 847 N LEU A 54 -1.457 1.027 8.011 1.00 0.00 N ATOM 848 CA LEU A 54 -0.652 1.917 7.179 1.00 0.00 C ATOM 849 C LEU A 54 -1.319 3.268 6.930 1.00 0.00 C ATOM 850 O LEU A 54 -0.675 4.306 7.073 1.00 0.00 O ATOM 851 CB LEU A 54 -0.304 1.229 5.856 1.00 0.00 C ATOM 852 CG LEU A 54 0.680 0.061 5.952 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.752 -0.695 4.640 1.00 0.00 C ATOM 854 CD2 LEU A 54 2.050 0.581 6.306 1.00 0.00 C ATOM 0 H LEU A 54 -1.665 0.134 7.565 1.00 0.00 H new ATOM 0 HA LEU A 54 0.265 2.127 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.227 0.866 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.112 1.975 5.179 1.00 0.00 H new ATOM 0 HG LEU A 54 0.330 -0.620 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.458 -1.520 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.234 -1.087 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.084 -0.022 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.749 -0.252 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.386 1.275 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.007 1.097 7.265 1.00 0.00 H new ATOM 866 N ALA A 55 -2.602 3.251 6.589 1.00 0.00 N ATOM 867 CA ALA A 55 -3.371 4.468 6.298 1.00 0.00 C ATOM 868 C ALA A 55 -3.291 5.499 7.425 1.00 0.00 C ATOM 869 O ALA A 55 -3.127 6.707 7.169 1.00 0.00 O ATOM 870 CB ALA A 55 -4.824 4.118 6.001 1.00 0.00 C ATOM 0 H ALA A 55 -3.146 2.392 6.505 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.921 4.926 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.382 5.030 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.869 3.454 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.262 3.619 6.865 1.00 0.00 H new ATOM 876 N VAL A 56 -3.337 5.022 8.655 1.00 0.00 N ATOM 877 CA VAL A 56 -3.317 5.890 9.821 1.00 0.00 C ATOM 878 C VAL A 56 -1.944 6.561 9.965 1.00 0.00 C ATOM 879 O VAL A 56 -1.846 7.720 10.364 1.00 0.00 O ATOM 880 CB VAL A 56 -3.671 5.111 11.124 1.00 0.00 C ATOM 881 CG1 VAL A 56 -3.720 6.041 12.332 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.998 4.377 10.974 1.00 0.00 C ATOM 0 H VAL A 56 -3.389 4.027 8.875 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.077 6.657 9.673 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.882 4.378 11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.969 5.466 13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.748 6.515 12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.478 6.807 12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.223 3.841 11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.791 5.097 10.770 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.930 3.668 10.149 1.00 0.00 H new ATOM 892 N ILE A 57 -0.899 5.851 9.562 1.00 0.00 N ATOM 893 CA ILE A 57 0.476 6.352 9.667 1.00 0.00 C ATOM 894 C ILE A 57 0.660 7.565 8.754 1.00 0.00 C ATOM 895 O ILE A 57 1.401 8.495 9.073 1.00 0.00 O ATOM 896 CB ILE A 57 1.524 5.263 9.255 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.285 3.956 10.016 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.955 5.763 9.490 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.267 2.844 9.672 1.00 0.00 C ATOM 0 H ILE A 57 -0.973 4.918 9.155 1.00 0.00 H new ATOM 0 HA ILE A 57 0.641 6.624 10.709 1.00 0.00 H new ATOM 0 HB ILE A 57 1.398 5.068 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.341 4.156 11.086 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.273 3.608 9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.664 4.989 9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.130 6.659 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.090 5.997 10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.028 1.954 10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.196 2.612 8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.281 3.169 9.906 1.00 0.00 H new ATOM 911 N TYR A 58 -0.053 7.566 7.641 1.00 0.00 N ATOM 912 CA TYR A 58 0.122 8.607 6.635 1.00 0.00 C ATOM 913 C TYR A 58 -0.980 9.653 6.727 1.00 0.00 C ATOM 914 O TYR A 58 -1.071 10.536 5.871 1.00 0.00 O ATOM 915 CB TYR A 58 0.154 7.985 5.226 1.00 0.00 C ATOM 916 CG TYR A 58 1.036 6.754 5.137 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.290 6.726 5.733 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.588 5.605 4.509 1.00 0.00 C ATOM 919 CE1 TYR A 58 3.063 5.595 5.699 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.362 4.465 4.478 1.00 0.00 C ATOM 921 CZ TYR A 58 2.599 4.471 5.078 1.00 0.00 C ATOM 922 OH TYR A 58 3.373 3.345 5.067 1.00 0.00 O ATOM 0 H TYR A 58 -0.755 6.864 7.409 1.00 0.00 H new ATOM 0 HA TYR A 58 1.073 9.104 6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.861 7.719 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.509 8.731 4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.662 7.609 6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.383 5.602 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.038 5.593 6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.000 3.574 3.986 1.00 0.00 H new ATOM 0 HH TYR A 58 3.548 3.060 5.988 1.00 0.00 H new ATOM 932 N ASP A 59 -1.811 9.547 7.776 1.00 0.00 N ATOM 933 CA ASP A 59 -2.928 10.480 8.034 1.00 0.00 C ATOM 934 C ASP A 59 -3.933 10.471 6.907 1.00 0.00 C ATOM 935 O ASP A 59 -4.649 11.455 6.668 1.00 0.00 O ATOM 936 CB ASP A 59 -2.435 11.907 8.289 1.00 0.00 C ATOM 937 CG ASP A 59 -1.652 12.034 9.557 1.00 0.00 C ATOM 938 OD1 ASP A 59 -2.269 12.102 10.641 1.00 0.00 O ATOM 939 OD2 ASP A 59 -0.404 12.065 9.500 1.00 0.00 O ATOM 0 H ASP A 59 -1.729 8.809 8.475 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.422 10.126 8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.815 12.227 7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.291 12.580 8.328 1.00 0.00 H new ATOM 944 N GLN A 60 -4.030 9.359 6.254 1.00 0.00 N ATOM 945 CA GLN A 60 -4.924 9.218 5.159 1.00 0.00 C ATOM 946 C GLN A 60 -6.139 8.446 5.567 1.00 0.00 C ATOM 947 O GLN A 60 -6.055 7.503 6.362 1.00 0.00 O ATOM 948 CB GLN A 60 -4.245 8.542 3.969 1.00 0.00 C ATOM 949 CG GLN A 60 -3.256 9.419 3.206 1.00 0.00 C ATOM 950 CD GLN A 60 -3.940 10.543 2.432 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.988 11.058 2.828 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.373 10.907 1.314 1.00 0.00 N ATOM 0 H GLN A 60 -3.488 8.522 6.468 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.229 10.218 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.721 7.655 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.015 8.201 3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.542 9.849 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.688 8.799 2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.506 10.462 1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.797 11.637 0.741 1.00 0.00 H new ATOM 961 N SER A 61 -7.263 8.892 5.094 1.00 0.00 N ATOM 962 CA SER A 61 -8.492 8.191 5.253 1.00 0.00 C ATOM 963 C SER A 61 -8.372 6.891 4.466 1.00 0.00 C ATOM 964 O SER A 61 -7.858 6.918 3.344 1.00 0.00 O ATOM 965 CB SER A 61 -9.639 9.055 4.697 1.00 0.00 C ATOM 966 OG SER A 61 -10.878 8.370 4.720 1.00 0.00 O ATOM 0 H SER A 61 -7.349 9.768 4.579 1.00 0.00 H new ATOM 0 HA SER A 61 -8.701 7.978 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.720 9.971 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.407 9.351 3.674 1.00 0.00 H new ATOM 0 HG SER A 61 -11.580 8.952 4.361 1.00 0.00 H new ATOM 972 N PRO A 62 -8.802 5.741 5.037 1.00 0.00 N ATOM 973 CA PRO A 62 -8.724 4.430 4.371 1.00 0.00 C ATOM 974 C PRO A 62 -9.293 4.470 2.950 1.00 0.00 C ATOM 975 O PRO A 62 -8.710 3.900 2.021 1.00 0.00 O ATOM 976 CB PRO A 62 -9.582 3.530 5.262 1.00 0.00 C ATOM 977 CG PRO A 62 -9.465 4.138 6.615 1.00 0.00 C ATOM 978 CD PRO A 62 -9.380 5.624 6.395 1.00 0.00 C ATOM 0 HA PRO A 62 -7.695 4.087 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.618 3.506 4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.221 2.502 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.326 3.884 7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.580 3.769 7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.361 6.095 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.749 6.105 7.142 1.00 0.00 H new ATOM 986 N SER A 63 -10.397 5.189 2.789 1.00 0.00 N ATOM 987 CA SER A 63 -11.055 5.361 1.516 1.00 0.00 C ATOM 988 C SER A 63 -10.104 6.038 0.505 1.00 0.00 C ATOM 989 O SER A 63 -9.960 5.594 -0.635 1.00 0.00 O ATOM 990 CB SER A 63 -12.279 6.239 1.740 1.00 0.00 C ATOM 991 OG SER A 63 -12.993 5.796 2.887 1.00 0.00 O ATOM 0 H SER A 63 -10.862 5.674 3.557 1.00 0.00 H new ATOM 0 HA SER A 63 -11.345 4.392 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.973 7.277 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.926 6.205 0.863 1.00 0.00 H new ATOM 0 HG SER A 63 -13.777 6.367 3.025 1.00 0.00 H new ATOM 997 N VAL A 64 -9.431 7.085 0.955 1.00 0.00 N ATOM 998 CA VAL A 64 -8.538 7.864 0.107 1.00 0.00 C ATOM 999 C VAL A 64 -7.243 7.109 -0.146 1.00 0.00 C ATOM 1000 O VAL A 64 -6.809 6.986 -1.284 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.234 9.262 0.726 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.307 10.077 -0.174 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.529 10.028 0.974 1.00 0.00 C ATOM 0 H VAL A 64 -9.487 7.420 1.917 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.046 8.021 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.728 9.101 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.114 11.047 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.365 9.544 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.779 10.223 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.299 11.002 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.057 10.166 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.159 9.465 1.663 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.674 6.568 0.921 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.403 5.846 0.877 1.00 0.00 C ATOM 1015 C LEU A 65 -5.471 4.705 -0.131 1.00 0.00 C ATOM 1016 O LEU A 65 -4.650 4.637 -1.049 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.055 5.331 2.306 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.644 4.711 2.567 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.459 3.357 1.918 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.536 5.662 2.146 1.00 0.00 C ATOM 0 H LEU A 65 -7.083 6.616 1.854 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.610 6.518 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.180 6.166 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.799 4.581 2.575 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.581 4.554 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.459 2.982 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.201 2.661 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.583 3.451 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.568 5.201 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.627 5.879 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.617 6.589 2.713 1.00 0.00 H new ATOM 1032 N THR A 66 -6.470 3.850 0.020 1.00 0.00 N ATOM 1033 CA THR A 66 -6.632 2.699 -0.838 1.00 0.00 C ATOM 1034 C THR A 66 -6.760 3.127 -2.306 1.00 0.00 C ATOM 1035 O THR A 66 -6.064 2.597 -3.180 1.00 0.00 O ATOM 1036 CB THR A 66 -7.867 1.881 -0.412 1.00 0.00 C ATOM 1037 OG1 THR A 66 -7.784 1.607 0.993 1.00 0.00 O ATOM 1038 CG2 THR A 66 -7.937 0.563 -1.165 1.00 0.00 C ATOM 0 H THR A 66 -7.187 3.939 0.740 1.00 0.00 H new ATOM 0 HA THR A 66 -5.745 2.073 -0.739 1.00 0.00 H new ATOM 0 HB THR A 66 -8.761 2.461 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.129 2.373 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.818 0.007 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.001 0.758 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.042 -0.023 -0.956 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.586 4.141 -2.563 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.798 4.586 -3.919 1.00 0.00 C ATOM 1048 C GLU A 67 -6.588 5.274 -4.512 1.00 0.00 C ATOM 1049 O GLU A 67 -6.403 5.226 -5.715 1.00 0.00 O ATOM 1050 CB GLU A 67 -9.058 5.410 -4.082 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.320 4.613 -3.836 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.555 5.360 -4.234 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.954 5.277 -5.401 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -12.160 6.030 -3.392 1.00 0.00 O ATOM 0 H GLU A 67 -8.108 4.656 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.949 3.676 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.026 6.253 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.087 5.824 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.270 3.677 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.381 4.352 -2.779 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.762 5.900 -3.679 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.514 6.478 -4.145 1.00 0.00 C ATOM 1063 C GLN A 68 -3.643 5.388 -4.715 1.00 0.00 C ATOM 1064 O GLN A 68 -3.260 5.437 -5.875 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.777 7.212 -3.020 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.371 8.558 -2.657 1.00 0.00 C ATOM 1067 CD GLN A 68 -4.336 9.529 -3.821 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -3.449 9.475 -4.671 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -5.279 10.421 -3.866 1.00 0.00 N ATOM 0 H GLN A 68 -5.937 6.018 -2.681 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.742 7.212 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.772 6.579 -2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.738 7.355 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.402 8.422 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.822 8.981 -1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.000 10.438 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.299 11.105 -4.623 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.414 4.366 -3.916 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.609 3.230 -4.319 1.00 0.00 C ATOM 1080 C LEU A 69 -3.198 2.535 -5.565 1.00 0.00 C ATOM 1081 O LEU A 69 -2.459 2.158 -6.480 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.419 2.243 -3.144 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.341 2.568 -2.072 1.00 0.00 C ATOM 1084 CD1 LEU A 69 0.046 2.494 -2.665 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.554 3.925 -1.419 1.00 0.00 C ATOM 0 H LEU A 69 -3.781 4.299 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.622 3.599 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.377 2.147 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.184 1.266 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.442 1.812 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.783 2.725 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.225 1.489 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.133 3.214 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.773 4.099 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.514 4.705 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.528 3.944 -0.930 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.526 2.388 -5.615 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.185 1.808 -6.796 1.00 0.00 C ATOM 1099 C ILE A 70 -4.891 2.712 -8.033 1.00 0.00 C ATOM 1100 O ILE A 70 -4.494 2.229 -9.096 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.743 1.736 -6.620 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.137 0.813 -5.464 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.426 1.281 -7.917 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.624 0.812 -5.156 1.00 0.00 C ATOM 0 H ILE A 70 -5.161 2.658 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.797 0.798 -6.929 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.085 2.743 -6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.825 -0.204 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.591 1.114 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.505 1.240 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.198 1.987 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.061 0.292 -8.193 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.823 0.134 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.940 1.820 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.177 0.481 -6.035 1.00 0.00 H new ATOM 1116 N SER A 71 -5.045 4.028 -7.848 1.00 0.00 N ATOM 1117 CA SER A 71 -4.865 5.022 -8.916 1.00 0.00 C ATOM 1118 C SER A 71 -3.422 5.102 -9.418 1.00 0.00 C ATOM 1119 O SER A 71 -3.192 5.315 -10.604 1.00 0.00 O ATOM 1120 CB SER A 71 -5.349 6.399 -8.462 1.00 0.00 C ATOM 1121 OG SER A 71 -6.729 6.353 -8.111 1.00 0.00 O ATOM 0 H SER A 71 -5.299 4.437 -6.949 1.00 0.00 H new ATOM 0 HA SER A 71 -5.474 4.687 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.761 6.734 -7.607 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.195 7.126 -9.259 1.00 0.00 H new ATOM 0 HG SER A 71 -6.857 5.724 -7.371 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.455 4.901 -8.529 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.037 4.926 -8.927 1.00 0.00 C ATOM 1129 C TRP A 72 -0.715 3.700 -9.774 1.00 0.00 C ATOM 1130 O TRP A 72 0.290 3.642 -10.480 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.124 4.921 -7.702 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.280 6.076 -6.753 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.947 7.248 -6.952 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.279 6.150 -5.454 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.857 8.039 -5.827 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.092 7.387 -4.893 1.00 0.00 C ATOM 1137 CE3 TRP A 72 1.056 5.277 -4.714 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.303 7.770 -3.608 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 1.452 5.649 -3.442 1.00 0.00 C ATOM 1140 CH2 TRP A 72 1.077 6.886 -2.899 1.00 0.00 C ATOM 0 H TRP A 72 -2.616 4.720 -7.538 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.867 5.838 -9.499 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.298 3.998 -7.149 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.910 4.897 -8.046 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.469 7.517 -7.858 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.287 8.956 -5.708 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.349 4.321 -5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.011 8.722 -3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.060 4.975 -2.857 1.00 0.00 H new ATOM 0 HH2 TRP A 72 1.404 7.148 -1.904 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.587 2.732 -9.697 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.428 1.518 -10.445 1.00 0.00 C ATOM 1153 C GLY A 73 -0.688 0.516 -9.640 1.00 0.00 C ATOM 1154 O GLY A 73 0.157 -0.222 -10.153 1.00 0.00 O ATOM 0 H GLY A 73 -2.425 2.763 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.405 1.123 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.890 1.720 -11.371 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.957 0.538 -8.361 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.359 -0.377 -7.438 1.00 0.00 C ATOM 1160 C VAL A 74 -1.262 -1.598 -7.245 1.00 0.00 C ATOM 1161 O VAL A 74 -0.799 -2.734 -7.346 1.00 0.00 O ATOM 1162 CB VAL A 74 -0.057 0.324 -6.078 1.00 0.00 C ATOM 1163 CG1 VAL A 74 0.500 -0.643 -5.065 1.00 0.00 C ATOM 1164 CG2 VAL A 74 0.920 1.473 -6.281 1.00 0.00 C ATOM 0 H VAL A 74 -1.604 1.199 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 74 0.591 -0.717 -7.850 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.000 0.712 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.698 -0.117 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.222 -1.440 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.428 -1.072 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.121 1.953 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.851 1.089 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.488 2.201 -6.968 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.550 -1.375 -7.009 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.450 -2.499 -6.809 1.00 0.00 C ATOM 1176 C LEU A 75 -4.716 -2.403 -7.622 1.00 0.00 C ATOM 1177 O LEU A 75 -4.991 -1.382 -8.264 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.805 -2.778 -5.339 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.649 -1.782 -4.566 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -5.149 -2.429 -3.286 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -3.852 -0.574 -4.214 1.00 0.00 C ATOM 0 H LEU A 75 -2.983 -0.453 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.866 -3.346 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.321 -3.737 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.868 -2.901 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.489 -1.483 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.756 -1.714 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.752 -3.303 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.299 -2.735 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.478 0.126 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.001 -0.866 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.493 -0.097 -5.126 1.00 0.00 H new ATOM 1193 N ASP A 76 -5.480 -3.473 -7.551 1.00 0.00 N ATOM 1194 CA ASP A 76 -6.716 -3.657 -8.281 1.00 0.00 C ATOM 1195 C ASP A 76 -7.871 -2.854 -7.663 1.00 0.00 C ATOM 1196 O ASP A 76 -7.879 -2.553 -6.463 1.00 0.00 O ATOM 1197 CB ASP A 76 -7.060 -5.155 -8.334 1.00 0.00 C ATOM 1198 CG ASP A 76 -8.301 -5.449 -9.135 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -8.232 -5.428 -10.369 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -9.373 -5.661 -8.541 1.00 0.00 O ATOM 0 H ASP A 76 -5.247 -4.270 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.575 -3.280 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.220 -5.699 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.194 -5.527 -7.318 1.00 0.00 H new ATOM 1205 N ALA A 77 -8.857 -2.561 -8.485 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.991 -1.726 -8.133 1.00 0.00 C ATOM 1207 C ALA A 77 -10.998 -2.419 -7.193 1.00 0.00 C ATOM 1208 O ALA A 77 -11.864 -1.755 -6.610 1.00 0.00 O ATOM 1209 CB ALA A 77 -10.687 -1.281 -9.405 1.00 0.00 C ATOM 0 H ALA A 77 -8.894 -2.906 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.604 -0.870 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.541 -0.653 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.990 -0.714 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.031 -2.156 -9.957 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.870 -3.721 -7.035 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.799 -4.528 -6.216 1.00 0.00 C ATOM 1217 C ASP A 78 -11.644 -4.243 -4.738 1.00 0.00 C ATOM 1218 O ASP A 78 -12.550 -4.495 -3.964 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.620 -6.029 -6.483 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.607 -6.908 -5.732 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -13.765 -7.043 -6.199 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.240 -7.492 -4.699 1.00 0.00 O ATOM 0 H ASP A 78 -10.122 -4.266 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.807 -4.238 -6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.724 -6.213 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.606 -6.319 -6.207 1.00 0.00 H new ATOM 1227 N ALA A 79 -10.493 -3.672 -4.369 1.00 0.00 N ATOM 1228 CA ALA A 79 -10.107 -3.369 -2.973 1.00 0.00 C ATOM 1229 C ALA A 79 -11.223 -2.725 -2.111 1.00 0.00 C ATOM 1230 O ALA A 79 -11.218 -2.869 -0.890 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.864 -2.510 -2.954 1.00 0.00 C ATOM 0 H ALA A 79 -9.780 -3.398 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.911 -4.335 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.588 -2.292 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.048 -3.041 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.059 -1.577 -3.482 1.00 0.00 H new ATOM 1237 N ARG A 80 -12.185 -2.037 -2.747 1.00 0.00 N ATOM 1238 CA ARG A 80 -13.321 -1.453 -2.018 1.00 0.00 C ATOM 1239 C ARG A 80 -14.115 -2.554 -1.289 1.00 0.00 C ATOM 1240 O ARG A 80 -14.681 -2.318 -0.204 1.00 0.00 O ATOM 1241 CB ARG A 80 -14.288 -0.659 -2.925 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.779 0.668 -3.507 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.783 0.493 -4.644 1.00 0.00 C ATOM 1244 NE ARG A 80 -12.421 1.789 -5.246 1.00 0.00 N ATOM 1245 CZ ARG A 80 -12.059 1.968 -6.526 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -11.960 0.935 -7.337 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -11.804 3.176 -6.982 1.00 0.00 N ATOM 0 H ARG A 80 -12.199 -1.873 -3.754 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.889 -0.752 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.576 -1.303 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.193 -0.452 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.629 1.247 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.311 1.248 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.885 0.000 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.210 -0.158 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.448 2.612 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.159 -0.004 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.685 1.074 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.881 3.982 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.529 3.306 -7.956 1.00 0.00 H new ATOM 1261 N ARG A 81 -14.106 -3.768 -1.863 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.816 -4.923 -1.314 1.00 0.00 C ATOM 1263 C ARG A 81 -14.303 -5.335 0.042 1.00 0.00 C ATOM 1264 O ARG A 81 -15.038 -5.928 0.804 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.785 -6.138 -2.250 1.00 0.00 C ATOM 1266 CG ARG A 81 -16.124 -6.457 -2.898 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.543 -5.395 -3.886 1.00 0.00 C ATOM 1268 NE ARG A 81 -15.701 -5.409 -5.084 1.00 0.00 N ATOM 1269 CZ ARG A 81 -15.665 -4.467 -6.020 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -16.284 -3.307 -5.838 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -14.959 -4.680 -7.117 1.00 0.00 N ATOM 0 H ARG A 81 -13.602 -3.972 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.848 -4.587 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.048 -5.961 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.449 -7.009 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.061 -7.419 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.887 -6.554 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.583 -5.552 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.487 -4.415 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.087 -6.214 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.794 -3.131 -4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.249 -2.591 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.452 -5.557 -7.235 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.921 -3.967 -7.845 1.00 0.00 H new ATOM 1285 N ALA A 82 -13.062 -4.980 0.364 1.00 0.00 N ATOM 1286 CA ALA A 82 -12.473 -5.349 1.656 1.00 0.00 C ATOM 1287 C ALA A 82 -13.314 -4.804 2.808 1.00 0.00 C ATOM 1288 O ALA A 82 -13.457 -5.441 3.849 1.00 0.00 O ATOM 1289 CB ALA A 82 -11.039 -4.848 1.757 1.00 0.00 C ATOM 0 H ALA A 82 -12.445 -4.441 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.461 -6.437 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.621 -5.132 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.442 -5.290 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.025 -3.762 1.661 1.00 0.00 H new ATOM 1295 N VAL A 83 -13.900 -3.641 2.588 1.00 0.00 N ATOM 1296 CA VAL A 83 -14.742 -3.002 3.584 1.00 0.00 C ATOM 1297 C VAL A 83 -16.230 -3.156 3.195 1.00 0.00 C ATOM 1298 O VAL A 83 -17.102 -3.272 4.052 1.00 0.00 O ATOM 1299 CB VAL A 83 -14.387 -1.485 3.724 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -15.220 -0.804 4.805 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -12.898 -1.300 4.005 1.00 0.00 C ATOM 0 H VAL A 83 -13.807 -3.115 1.719 1.00 0.00 H new ATOM 0 HA VAL A 83 -14.566 -3.489 4.543 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.626 -1.009 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.942 0.248 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -16.278 -0.885 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -15.036 -1.287 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.675 -0.237 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.637 -1.809 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.318 -1.722 3.184 1.00 0.00 H new ATOM 1311 N ALA A 84 -16.497 -3.204 1.900 1.00 0.00 N ATOM 1312 CA ALA A 84 -17.873 -3.244 1.399 1.00 0.00 C ATOM 1313 C ALA A 84 -18.495 -4.643 1.420 1.00 0.00 C ATOM 1314 O ALA A 84 -19.710 -4.771 1.283 1.00 0.00 O ATOM 1315 CB ALA A 84 -17.954 -2.653 0.003 1.00 0.00 C ATOM 0 H ALA A 84 -15.783 -3.216 1.172 1.00 0.00 H new ATOM 0 HA ALA A 84 -18.459 -2.636 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -18.985 -2.693 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -17.618 -1.616 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.317 -3.225 -0.672 1.00 0.00 H new ATOM 1321 N SER A 85 -17.678 -5.690 1.561 1.00 0.00 N ATOM 1322 CA SER A 85 -18.204 -7.055 1.614 1.00 0.00 C ATOM 1323 C SER A 85 -19.043 -7.217 2.882 1.00 0.00 C ATOM 1324 O SER A 85 -20.098 -7.862 2.884 1.00 0.00 O ATOM 1325 CB SER A 85 -17.059 -8.095 1.573 1.00 0.00 C ATOM 1326 OG SER A 85 -17.548 -9.422 1.401 1.00 0.00 O ATOM 0 H SER A 85 -16.663 -5.621 1.640 1.00 0.00 H new ATOM 0 HA SER A 85 -18.832 -7.231 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.377 -7.852 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.484 -8.038 2.497 1.00 0.00 H new ATOM 0 HG SER A 85 -16.794 -10.048 1.379 1.00 0.00 H new ATOM 1332 N HIS A 86 -18.603 -6.591 3.943 1.00 0.00 N ATOM 1333 CA HIS A 86 -19.337 -6.620 5.167 1.00 0.00 C ATOM 1334 C HIS A 86 -19.866 -5.225 5.469 1.00 0.00 C ATOM 1335 O HIS A 86 -19.452 -4.549 6.405 1.00 0.00 O ATOM 1336 CB HIS A 86 -18.541 -7.253 6.347 1.00 0.00 C ATOM 1337 CG HIS A 86 -17.279 -6.537 6.758 1.00 0.00 C ATOM 1338 ND1 HIS A 86 -17.168 -5.820 7.919 1.00 0.00 N ATOM 1339 CD2 HIS A 86 -16.072 -6.465 6.157 1.00 0.00 C ATOM 1340 CE1 HIS A 86 -15.935 -5.342 8.001 1.00 0.00 C ATOM 1341 NE2 HIS A 86 -15.217 -5.705 6.950 1.00 0.00 N ATOM 0 H HIS A 86 -17.736 -6.055 3.977 1.00 0.00 H new ATOM 0 HA HIS A 86 -20.190 -7.287 5.043 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -19.200 -7.310 7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -18.282 -8.276 6.076 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -17.909 -5.678 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.812 -6.923 5.214 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -15.565 -4.737 8.816 1.00 0.00 H new ATOM 1349 N ASP A 87 -20.712 -4.758 4.587 1.00 0.00 N ATOM 1350 CA ASP A 87 -21.337 -3.472 4.754 1.00 0.00 C ATOM 1351 C ASP A 87 -22.424 -3.636 5.785 1.00 0.00 C ATOM 1352 O ASP A 87 -23.472 -4.242 5.526 1.00 0.00 O ATOM 1353 CB ASP A 87 -21.890 -2.948 3.427 1.00 0.00 C ATOM 1354 CG ASP A 87 -22.462 -1.552 3.537 1.00 0.00 C ATOM 1355 OD1 ASP A 87 -21.701 -0.567 3.432 1.00 0.00 O ATOM 1356 OD2 ASP A 87 -23.687 -1.407 3.687 1.00 0.00 O ATOM 0 H ASP A 87 -20.985 -5.254 3.739 1.00 0.00 H new ATOM 0 HA ASP A 87 -20.610 -2.732 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -21.095 -2.952 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -22.665 -3.626 3.070 1.00 0.00 H new ATOM 1361 N GLU A 88 -22.139 -3.174 6.953 1.00 0.00 N ATOM 1362 CA GLU A 88 -22.959 -3.396 8.113 1.00 0.00 C ATOM 1363 C GLU A 88 -23.220 -2.081 8.826 1.00 0.00 C ATOM 1364 O GLU A 88 -22.801 -1.019 8.351 1.00 0.00 O ATOM 1365 CB GLU A 88 -22.197 -4.361 9.032 1.00 0.00 C ATOM 1366 CG GLU A 88 -20.792 -3.863 9.371 1.00 0.00 C ATOM 1367 CD GLU A 88 -19.983 -4.831 10.177 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -20.023 -4.767 11.432 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -19.265 -5.646 9.598 1.00 0.00 O ATOM 0 H GLU A 88 -21.307 -2.614 7.142 1.00 0.00 H new ATOM 0 HA GLU A 88 -23.924 -3.818 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -22.761 -4.501 9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -22.127 -5.336 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.261 -3.644 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.872 -2.925 9.921 1.00 0.00 H new ATOM 1376 N LEU A 89 -23.904 -2.147 9.938 1.00 0.00 N ATOM 1377 CA LEU A 89 -24.159 -0.987 10.743 1.00 0.00 C ATOM 1378 C LEU A 89 -23.449 -1.163 12.059 1.00 0.00 C ATOM 1379 O LEU A 89 -24.085 -1.536 13.069 1.00 0.00 O ATOM 1380 CB LEU A 89 -25.661 -0.786 10.958 1.00 0.00 C ATOM 1381 CG LEU A 89 -26.489 -0.529 9.702 1.00 0.00 C ATOM 1382 CD1 LEU A 89 -27.951 -0.393 10.059 1.00 0.00 C ATOM 1383 CD2 LEU A 89 -26.001 0.719 8.983 1.00 0.00 C ATOM 1384 OXT LEU A 89 -22.226 -1.023 12.082 1.00 0.00 O ATOM 0 H LEU A 89 -24.300 -3.010 10.310 1.00 0.00 H new ATOM 0 HA LEU A 89 -23.787 -0.097 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -26.058 -1.671 11.456 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -25.801 0.053 11.639 1.00 0.00 H new ATOM 0 HG LEU A 89 -26.370 -1.379 9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -28.531 -0.210 9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -28.297 -1.312 10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -28.081 0.441 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -26.605 0.884 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -26.091 1.579 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -24.957 0.589 8.696 1.00 0.00 H new TER 1396 LEU A 89