USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 47 TYR OH : rot -172:sc= 1.22 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 88 GLN : amide:sc= -0.4 K(o=-3.1,f=-3.9) USER MOD Set 1.4: A 90 GLN : amide:sc= -3.93! C(o=-3.1!,f=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 33:sc= 0.0293 USER MOD Single : A 14 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.126 K(o=-0.13,f=-3.3!) USER MOD Single : A 17 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.4) USER MOD Single : A 19 ASN : amide:sc=-0.00245 X(o=-0.0025,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -138:sc= -0.233 (180deg=-3.35!) USER MOD Single : A 25 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.8!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.031 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= -0.509 (180deg=-0.593) USER MOD Single : A 37 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.11) USER MOD Single : A 38 THR OG1 : rot 26:sc= -0.0274 USER MOD Single : A 41 SER OG : rot 180:sc= -0.68 USER MOD Single : A 42 LYS NZ :NH3+ -132:sc= -0.228 (180deg=-1.08) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.249) USER MOD Single : A 48 CYS SG : rot 160:sc= -0.0281 USER MOD Single : A 51 GLN : amide:sc= -0.319 K(o=-0.32,f=-4!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.07 K(o=-1.1,f=-9.4!) USER MOD Single : A 65 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0954 K(o=-0.095,f=-0.73) USER MOD Single : A 70 THR OG1 : rot -53:sc= 0.923 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 151:sc= -2.79 (180deg=-3.73!) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 89 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.543 -10.811 -13.690 1.00 0.00 N ATOM 2 CA MET A 1 -6.211 -10.899 -13.102 1.00 0.00 C ATOM 3 C MET A 1 -5.208 -10.071 -13.901 1.00 0.00 C ATOM 4 O MET A 1 -5.004 -10.306 -15.091 1.00 0.00 O ATOM 5 CB MET A 1 -5.752 -12.357 -13.042 1.00 0.00 C ATOM 6 CG MET A 1 -6.172 -13.074 -11.768 1.00 0.00 C ATOM 7 SD MET A 1 -5.623 -14.791 -11.725 1.00 0.00 S ATOM 8 CE MET A 1 -7.163 -15.646 -12.049 1.00 0.00 C ATOM 0 H1 MET A 1 -8.208 -11.382 -13.130 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.856 -9.819 -13.694 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.516 -11.169 -14.666 1.00 0.00 H new ATOM 0 HA MET A 1 -6.261 -10.499 -12.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.157 -12.892 -13.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.666 -12.391 -13.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.765 -12.545 -10.907 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.258 -13.041 -11.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.988 -16.722 -12.054 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.886 -15.400 -11.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.553 -15.337 -13.019 1.00 0.00 H new ATOM 18 N ALA A 2 -4.586 -9.103 -13.237 1.00 0.00 N ATOM 19 CA ALA A 2 -3.604 -8.242 -13.885 1.00 0.00 C ATOM 20 C ALA A 2 -2.317 -8.169 -13.071 1.00 0.00 C ATOM 21 O ALA A 2 -2.325 -7.744 -11.916 1.00 0.00 O ATOM 22 CB ALA A 2 -4.179 -6.849 -14.093 1.00 0.00 C ATOM 0 H ALA A 2 -4.744 -8.895 -12.251 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.364 -8.673 -14.857 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.435 -6.217 -14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.067 -6.912 -14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.448 -6.419 -13.128 1.00 0.00 H new ATOM 28 N ASP A 3 -1.212 -8.586 -13.680 1.00 0.00 N ATOM 29 CA ASP A 3 0.084 -8.567 -13.012 1.00 0.00 C ATOM 30 C ASP A 3 1.041 -7.606 -13.710 1.00 0.00 C ATOM 31 O ASP A 3 2.023 -8.028 -14.320 1.00 0.00 O ATOM 32 CB ASP A 3 0.686 -9.972 -12.980 1.00 0.00 C ATOM 33 CG ASP A 3 0.583 -10.677 -14.319 1.00 0.00 C ATOM 34 OD1 ASP A 3 -0.468 -11.297 -14.584 1.00 0.00 O ATOM 35 OD2 ASP A 3 1.553 -10.607 -15.101 1.00 0.00 O ATOM 0 H ASP A 3 -1.188 -8.941 -14.636 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.067 -8.222 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.734 -9.909 -12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.177 -10.565 -12.220 1.00 0.00 H new ATOM 40 N GLU A 4 0.747 -6.313 -13.616 1.00 0.00 N ATOM 41 CA GLU A 4 1.581 -5.293 -14.240 1.00 0.00 C ATOM 42 C GLU A 4 2.943 -5.212 -13.558 1.00 0.00 C ATOM 43 O GLU A 4 3.049 -5.345 -12.338 1.00 0.00 O ATOM 44 CB GLU A 4 0.888 -3.930 -14.183 1.00 0.00 C ATOM 45 CG GLU A 4 1.324 -2.979 -15.285 1.00 0.00 C ATOM 46 CD GLU A 4 0.554 -1.672 -15.266 1.00 0.00 C ATOM 47 OE1 GLU A 4 0.166 -1.228 -14.166 1.00 0.00 O ATOM 48 OE2 GLU A 4 0.341 -1.094 -16.352 1.00 0.00 O ATOM 0 H GLU A 4 -0.062 -5.947 -13.114 1.00 0.00 H new ATOM 0 HA GLU A 4 1.732 -5.572 -15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.190 -4.077 -14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.090 -3.469 -13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.389 -2.771 -15.180 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.188 -3.463 -16.252 1.00 0.00 H new ATOM 55 N LYS A 5 3.985 -4.992 -14.353 1.00 0.00 N ATOM 56 CA LYS A 5 5.341 -4.892 -13.828 1.00 0.00 C ATOM 57 C LYS A 5 5.931 -3.512 -14.103 1.00 0.00 C ATOM 58 O LYS A 5 6.861 -3.354 -14.894 1.00 0.00 O ATOM 59 CB LYS A 5 6.231 -5.971 -14.449 1.00 0.00 C ATOM 60 CG LYS A 5 5.894 -7.378 -13.987 1.00 0.00 C ATOM 61 CD LYS A 5 6.980 -8.368 -14.372 1.00 0.00 C ATOM 62 CE LYS A 5 6.802 -9.698 -13.658 1.00 0.00 C ATOM 63 NZ LYS A 5 7.519 -9.728 -12.353 1.00 0.00 N ATOM 0 H LYS A 5 3.916 -4.880 -15.364 1.00 0.00 H new ATOM 0 HA LYS A 5 5.298 -5.041 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.142 -5.923 -15.534 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.271 -5.757 -14.205 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.762 -7.384 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.946 -7.688 -14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.962 -8.528 -15.450 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.957 -7.951 -14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.740 -9.882 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.171 -10.503 -14.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.373 -10.652 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.536 -9.577 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.150 -8.976 -11.737 1.00 0.00 H new ATOM 77 N PRO A 6 5.380 -2.488 -13.434 1.00 0.00 N ATOM 78 CA PRO A 6 5.837 -1.104 -13.589 1.00 0.00 C ATOM 79 C PRO A 6 7.220 -0.880 -12.988 1.00 0.00 C ATOM 80 O PRO A 6 7.386 -0.884 -11.768 1.00 0.00 O ATOM 81 CB PRO A 6 4.785 -0.296 -12.825 1.00 0.00 C ATOM 82 CG PRO A 6 4.228 -1.249 -11.824 1.00 0.00 C ATOM 83 CD PRO A 6 4.268 -2.603 -12.475 1.00 0.00 C ATOM 0 HA PRO A 6 5.933 -0.821 -14.637 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.229 0.573 -12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.008 0.075 -13.494 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.816 -1.240 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.208 -0.977 -11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.446 -3.394 -11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.328 -2.836 -12.976 1.00 0.00 H new ATOM 91 N LYS A 7 8.211 -0.684 -13.851 1.00 0.00 N ATOM 92 CA LYS A 7 9.580 -0.457 -13.406 1.00 0.00 C ATOM 93 C LYS A 7 10.103 0.882 -13.918 1.00 0.00 C ATOM 94 O LYS A 7 11.143 0.942 -14.573 1.00 0.00 O ATOM 95 CB LYS A 7 10.490 -1.589 -13.888 1.00 0.00 C ATOM 96 CG LYS A 7 10.426 -1.825 -15.387 1.00 0.00 C ATOM 97 CD LYS A 7 11.723 -2.414 -15.915 1.00 0.00 C ATOM 98 CE LYS A 7 11.693 -2.563 -17.428 1.00 0.00 C ATOM 99 NZ LYS A 7 11.909 -1.261 -18.117 1.00 0.00 N ATOM 0 H LYS A 7 8.091 -0.678 -14.864 1.00 0.00 H new ATOM 0 HA LYS A 7 9.582 -0.436 -12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.519 -1.361 -13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.216 -2.509 -13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.600 -2.499 -15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.219 -0.884 -15.896 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.558 -1.774 -15.628 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.895 -3.388 -15.456 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.462 -3.270 -17.739 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.734 -2.981 -17.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.882 -1.404 -19.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.161 -0.594 -17.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.836 -0.874 -17.846 1.00 0.00 H new ATOM 113 N GLU A 8 9.376 1.952 -13.613 1.00 0.00 N ATOM 114 CA GLU A 8 9.768 3.289 -14.043 1.00 0.00 C ATOM 115 C GLU A 8 9.630 4.290 -12.899 1.00 0.00 C ATOM 116 O GLU A 8 9.055 3.982 -11.856 1.00 0.00 O ATOM 117 CB GLU A 8 8.916 3.737 -15.233 1.00 0.00 C ATOM 118 CG GLU A 8 9.291 3.057 -16.539 1.00 0.00 C ATOM 119 CD GLU A 8 10.652 3.487 -17.051 1.00 0.00 C ATOM 120 OE1 GLU A 8 10.779 4.648 -17.493 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.589 2.663 -17.011 1.00 0.00 O ATOM 0 H GLU A 8 8.513 1.919 -13.070 1.00 0.00 H new ATOM 0 HA GLU A 8 10.814 3.253 -14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.867 3.534 -15.015 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.014 4.816 -15.354 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.286 1.976 -16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.536 3.283 -17.292 1.00 0.00 H new ATOM 128 N GLY A 9 10.163 5.491 -13.104 1.00 0.00 N ATOM 129 CA GLY A 9 10.090 6.519 -12.082 1.00 0.00 C ATOM 130 C GLY A 9 11.353 6.597 -11.247 1.00 0.00 C ATOM 131 O GLY A 9 11.551 5.798 -10.331 1.00 0.00 O ATOM 0 H GLY A 9 10.644 5.770 -13.959 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.910 7.485 -12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.239 6.320 -11.431 1.00 0.00 H new ATOM 135 N VAL A 10 12.212 7.561 -11.564 1.00 0.00 N ATOM 136 CA VAL A 10 13.462 7.740 -10.836 1.00 0.00 C ATOM 137 C VAL A 10 13.581 9.158 -10.288 1.00 0.00 C ATOM 138 O VAL A 10 14.668 9.735 -10.257 1.00 0.00 O ATOM 139 CB VAL A 10 14.680 7.445 -11.732 1.00 0.00 C ATOM 140 CG1 VAL A 10 14.652 6.002 -12.212 1.00 0.00 C ATOM 141 CG2 VAL A 10 14.721 8.406 -12.910 1.00 0.00 C ATOM 0 H VAL A 10 12.065 8.230 -12.320 1.00 0.00 H new ATOM 0 HA VAL A 10 13.449 7.033 -10.007 1.00 0.00 H new ATOM 0 HB VAL A 10 15.586 7.590 -11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.520 5.812 -12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.675 5.332 -11.352 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.741 5.827 -12.785 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.588 8.183 -13.532 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.812 8.296 -13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.792 9.430 -12.542 1.00 0.00 H new ATOM 151 N LYS A 11 12.455 9.715 -9.855 1.00 0.00 N ATOM 152 CA LYS A 11 12.431 11.065 -9.305 1.00 0.00 C ATOM 153 C LYS A 11 11.140 11.315 -8.532 1.00 0.00 C ATOM 154 O LYS A 11 10.282 10.437 -8.435 1.00 0.00 O ATOM 155 CB LYS A 11 12.574 12.097 -10.427 1.00 0.00 C ATOM 156 CG LYS A 11 11.822 11.727 -11.693 1.00 0.00 C ATOM 157 CD LYS A 11 10.321 11.697 -11.462 1.00 0.00 C ATOM 158 CE LYS A 11 9.553 11.766 -12.773 1.00 0.00 C ATOM 159 NZ LYS A 11 8.080 11.733 -12.556 1.00 0.00 N ATOM 0 H LYS A 11 11.546 9.252 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 11 13.271 11.165 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.214 13.062 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.631 12.219 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.056 12.445 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.157 10.751 -12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.052 10.785 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.033 12.534 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.821 12.680 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.845 10.931 -13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.593 11.782 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.820 10.850 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.797 12.544 -11.970 1.00 0.00 H new ATOM 173 N THR A 12 11.007 12.519 -7.985 1.00 0.00 N ATOM 174 CA THR A 12 9.821 12.885 -7.221 1.00 0.00 C ATOM 175 C THR A 12 9.475 14.357 -7.412 1.00 0.00 C ATOM 176 O THR A 12 10.315 15.232 -7.203 1.00 0.00 O ATOM 177 CB THR A 12 10.012 12.605 -5.718 1.00 0.00 C ATOM 178 OG1 THR A 12 11.299 13.069 -5.293 1.00 0.00 O ATOM 179 CG2 THR A 12 9.880 11.118 -5.423 1.00 0.00 C ATOM 0 H THR A 12 11.707 13.258 -8.057 1.00 0.00 H new ATOM 0 HA THR A 12 9.002 12.271 -7.597 1.00 0.00 H new ATOM 0 HB THR A 12 9.235 13.138 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.545 13.866 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.019 10.945 -4.356 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.889 10.775 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.637 10.568 -5.981 1.00 0.00 H new ATOM 187 N GLU A 13 8.235 14.622 -7.810 1.00 0.00 N ATOM 188 CA GLU A 13 7.780 15.990 -8.029 1.00 0.00 C ATOM 189 C GLU A 13 7.649 16.739 -6.706 1.00 0.00 C ATOM 190 O GLU A 13 7.933 16.192 -5.641 1.00 0.00 O ATOM 191 CB GLU A 13 6.438 15.993 -8.765 1.00 0.00 C ATOM 192 CG GLU A 13 6.562 15.742 -10.258 1.00 0.00 C ATOM 193 CD GLU A 13 7.242 16.885 -10.987 1.00 0.00 C ATOM 194 OE1 GLU A 13 6.574 17.911 -11.235 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.441 16.753 -11.310 1.00 0.00 O ATOM 0 H GLU A 13 7.528 13.908 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 13 8.524 16.499 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.793 15.230 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.948 16.954 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.126 14.824 -10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.569 15.586 -10.680 1.00 0.00 H new ATOM 202 N ASN A 14 7.218 17.994 -6.783 1.00 0.00 N ATOM 203 CA ASN A 14 7.050 18.818 -5.592 1.00 0.00 C ATOM 204 C ASN A 14 5.596 18.816 -5.129 1.00 0.00 C ATOM 205 O ASN A 14 4.981 19.870 -4.978 1.00 0.00 O ATOM 206 CB ASN A 14 7.506 20.252 -5.871 1.00 0.00 C ATOM 207 CG ASN A 14 9.011 20.408 -5.781 1.00 0.00 C ATOM 208 OD1 ASN A 14 9.522 21.142 -4.935 1.00 0.00 O ATOM 209 ND2 ASN A 14 9.731 19.715 -6.657 1.00 0.00 N ATOM 0 H ASN A 14 6.979 18.462 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 14 7.666 18.395 -4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.171 20.550 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.030 20.927 -5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.749 19.780 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.266 19.119 -7.341 1.00 0.00 H new ATOM 216 N ASN A 15 5.054 17.623 -4.905 1.00 0.00 N ATOM 217 CA ASN A 15 3.673 17.483 -4.459 1.00 0.00 C ATOM 218 C ASN A 15 3.606 17.283 -2.948 1.00 0.00 C ATOM 219 O ASN A 15 3.281 18.207 -2.202 1.00 0.00 O ATOM 220 CB ASN A 15 3.002 16.306 -5.170 1.00 0.00 C ATOM 221 CG ASN A 15 2.922 16.508 -6.671 1.00 0.00 C ATOM 222 OD1 ASN A 15 3.521 17.434 -7.217 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.179 15.638 -7.346 1.00 0.00 N ATOM 0 H ASN A 15 5.550 16.740 -5.025 1.00 0.00 H new ATOM 0 HA ASN A 15 3.142 18.401 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.557 15.392 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.997 16.168 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.088 15.723 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.700 14.885 -6.852 1.00 0.00 H new ATOM 230 N ASP A 16 3.918 16.070 -2.503 1.00 0.00 N ATOM 231 CA ASP A 16 3.895 15.749 -1.081 1.00 0.00 C ATOM 232 C ASP A 16 4.673 14.466 -0.802 1.00 0.00 C ATOM 233 O ASP A 16 5.062 13.750 -1.725 1.00 0.00 O ATOM 234 CB ASP A 16 2.454 15.603 -0.592 1.00 0.00 C ATOM 235 CG ASP A 16 1.839 16.931 -0.198 1.00 0.00 C ATOM 236 OD1 ASP A 16 2.141 17.420 0.910 1.00 0.00 O ATOM 237 OD2 ASP A 16 1.054 17.483 -0.999 1.00 0.00 O ATOM 0 H ASP A 16 4.190 15.294 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 16 4.372 16.567 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.852 15.146 -1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.430 14.927 0.263 1.00 0.00 H new ATOM 242 N HIS A 17 4.896 14.182 0.477 1.00 0.00 N ATOM 243 CA HIS A 17 5.628 12.985 0.878 1.00 0.00 C ATOM 244 C HIS A 17 5.295 12.601 2.317 1.00 0.00 C ATOM 245 O HIS A 17 5.857 13.155 3.262 1.00 0.00 O ATOM 246 CB HIS A 17 7.133 13.209 0.733 1.00 0.00 C ATOM 247 CG HIS A 17 7.604 14.507 1.313 1.00 0.00 C ATOM 248 ND1 HIS A 17 7.565 15.699 0.621 1.00 0.00 N ATOM 249 CD2 HIS A 17 8.125 14.796 2.528 1.00 0.00 C ATOM 250 CE1 HIS A 17 8.043 16.665 1.385 1.00 0.00 C ATOM 251 NE2 HIS A 17 8.390 16.144 2.548 1.00 0.00 N ATOM 0 H HIS A 17 4.581 14.764 1.253 1.00 0.00 H new ATOM 0 HA HIS A 17 5.325 12.168 0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.662 12.390 1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.397 13.176 -0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.300 14.097 3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.134 17.704 1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.790 16.658 3.333 1.00 0.00 H new ATOM 259 N ILE A 18 4.379 11.652 2.474 1.00 0.00 N ATOM 260 CA ILE A 18 3.972 11.195 3.797 1.00 0.00 C ATOM 261 C ILE A 18 4.625 9.861 4.142 1.00 0.00 C ATOM 262 O ILE A 18 5.493 9.377 3.417 1.00 0.00 O ATOM 263 CB ILE A 18 2.443 11.046 3.896 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.978 9.808 3.127 1.00 0.00 C ATOM 265 CG2 ILE A 18 1.754 12.295 3.366 1.00 0.00 C ATOM 266 CD1 ILE A 18 0.477 9.619 3.135 1.00 0.00 C ATOM 0 H ILE A 18 3.904 11.184 1.702 1.00 0.00 H new ATOM 0 HA ILE A 18 4.301 11.953 4.508 1.00 0.00 H new ATOM 0 HB ILE A 18 2.172 10.922 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.321 9.881 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.449 8.925 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.673 12.175 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.065 13.159 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.029 12.447 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.220 8.722 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.129 9.513 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.001 10.485 2.677 1.00 0.00 H new ATOM 278 N ASN A 19 4.200 9.270 5.255 1.00 0.00 N ATOM 279 CA ASN A 19 4.742 7.990 5.696 1.00 0.00 C ATOM 280 C ASN A 19 3.622 7.024 6.068 1.00 0.00 C ATOM 281 O ASN A 19 2.634 7.412 6.694 1.00 0.00 O ATOM 282 CB ASN A 19 5.674 8.193 6.892 1.00 0.00 C ATOM 283 CG ASN A 19 6.872 7.263 6.856 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.939 7.626 6.361 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.699 6.056 7.382 1.00 0.00 N ATOM 0 H ASN A 19 3.482 9.657 5.867 1.00 0.00 H new ATOM 0 HA ASN A 19 5.309 7.560 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.020 9.226 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.118 8.029 7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.469 5.387 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.797 5.798 7.782 1.00 0.00 H new ATOM 292 N LEU A 20 3.781 5.764 5.679 1.00 0.00 N ATOM 293 CA LEU A 20 2.784 4.741 5.972 1.00 0.00 C ATOM 294 C LEU A 20 3.451 3.414 6.320 1.00 0.00 C ATOM 295 O LEU A 20 4.569 3.136 5.887 1.00 0.00 O ATOM 296 CB LEU A 20 1.847 4.556 4.777 1.00 0.00 C ATOM 297 CG LEU A 20 1.224 5.832 4.209 1.00 0.00 C ATOM 298 CD1 LEU A 20 1.780 6.127 2.824 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.292 5.710 4.162 1.00 0.00 C ATOM 0 H LEU A 20 4.591 5.426 5.160 1.00 0.00 H new ATOM 0 HA LEU A 20 2.203 5.071 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.401 4.060 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.042 3.883 5.073 1.00 0.00 H new ATOM 0 HG LEU A 20 1.482 6.663 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.325 7.038 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.860 6.259 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.553 5.296 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.718 6.627 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.570 4.868 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.675 5.547 5.169 1.00 0.00 H new ATOM 311 N LYS A 21 2.756 2.596 7.103 1.00 0.00 N ATOM 312 CA LYS A 21 3.278 1.296 7.507 1.00 0.00 C ATOM 313 C LYS A 21 2.299 0.182 7.151 1.00 0.00 C ATOM 314 O LYS A 21 1.213 0.089 7.724 1.00 0.00 O ATOM 315 CB LYS A 21 3.559 1.281 9.011 1.00 0.00 C ATOM 316 CG LYS A 21 4.743 2.141 9.417 1.00 0.00 C ATOM 317 CD LYS A 21 5.007 2.057 10.911 1.00 0.00 C ATOM 318 CE LYS A 21 5.778 3.269 11.410 1.00 0.00 C ATOM 319 NZ LYS A 21 7.250 3.077 11.294 1.00 0.00 N ATOM 0 H LYS A 21 1.829 2.811 7.471 1.00 0.00 H new ATOM 0 HA LYS A 21 4.209 1.123 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.671 1.626 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.741 0.254 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.631 1.821 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.554 3.177 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.060 1.982 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.570 1.150 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.481 4.149 10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.518 3.461 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.716 3.438 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.461 2.064 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.603 3.594 10.464 1.00 0.00 H new ATOM 333 N VAL A 22 2.690 -0.664 6.203 1.00 0.00 N ATOM 334 CA VAL A 22 1.848 -1.774 5.773 1.00 0.00 C ATOM 335 C VAL A 22 2.105 -3.018 6.615 1.00 0.00 C ATOM 336 O VAL A 22 2.983 -3.821 6.303 1.00 0.00 O ATOM 337 CB VAL A 22 2.083 -2.114 4.289 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.152 -3.232 3.844 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.897 -0.878 3.423 1.00 0.00 C ATOM 0 H VAL A 22 3.585 -0.602 5.718 1.00 0.00 H new ATOM 0 HA VAL A 22 0.814 -1.457 5.906 1.00 0.00 H new ATOM 0 HB VAL A 22 3.110 -2.460 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.332 -3.459 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.339 -4.122 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.117 -2.917 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.067 -1.137 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.882 -0.499 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.609 -0.110 3.727 1.00 0.00 H new ATOM 349 N ALA A 23 1.332 -3.171 7.686 1.00 0.00 N ATOM 350 CA ALA A 23 1.475 -4.318 8.573 1.00 0.00 C ATOM 351 C ALA A 23 0.154 -5.066 8.719 1.00 0.00 C ATOM 352 O ALA A 23 -0.814 -4.536 9.263 1.00 0.00 O ATOM 353 CB ALA A 23 1.985 -3.873 9.935 1.00 0.00 C ATOM 0 H ALA A 23 0.601 -2.515 7.960 1.00 0.00 H new ATOM 0 HA ALA A 23 2.202 -4.999 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.087 -4.741 10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.955 -3.390 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.279 -3.169 10.376 1.00 0.00 H new ATOM 359 N GLY A 24 0.120 -6.302 8.229 1.00 0.00 N ATOM 360 CA GLY A 24 -1.087 -7.102 8.314 1.00 0.00 C ATOM 361 C GLY A 24 -1.295 -7.692 9.695 1.00 0.00 C ATOM 362 O GLY A 24 -0.337 -8.091 10.356 1.00 0.00 O ATOM 0 H GLY A 24 0.908 -6.763 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.947 -6.486 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.038 -7.908 7.582 1.00 0.00 H new ATOM 366 N GLN A 25 -2.550 -7.745 10.131 1.00 0.00 N ATOM 367 CA GLN A 25 -2.879 -8.289 11.443 1.00 0.00 C ATOM 368 C GLN A 25 -2.434 -9.743 11.558 1.00 0.00 C ATOM 369 O GLN A 25 -2.320 -10.283 12.658 1.00 0.00 O ATOM 370 CB GLN A 25 -4.383 -8.182 11.700 1.00 0.00 C ATOM 371 CG GLN A 25 -4.838 -8.902 12.959 1.00 0.00 C ATOM 372 CD GLN A 25 -5.183 -10.357 12.706 1.00 0.00 C ATOM 373 OE1 GLN A 25 -5.671 -10.714 11.633 1.00 0.00 O ATOM 374 NE2 GLN A 25 -4.932 -11.206 13.696 1.00 0.00 N ATOM 0 H GLN A 25 -3.354 -7.418 9.595 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.346 -7.705 12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.656 -7.129 11.775 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.919 -8.591 10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.051 -8.844 13.711 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.709 -8.392 13.370 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.527 -10.867 14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.144 -12.197 13.584 1.00 0.00 H new ATOM 383 N ASP A 26 -2.184 -10.372 10.414 1.00 0.00 N ATOM 384 CA ASP A 26 -1.751 -11.764 10.386 1.00 0.00 C ATOM 385 C ASP A 26 -0.269 -11.879 10.731 1.00 0.00 C ATOM 386 O ASP A 26 0.092 -12.330 11.817 1.00 0.00 O ATOM 387 CB ASP A 26 -2.015 -12.374 9.009 1.00 0.00 C ATOM 388 CG ASP A 26 -1.246 -13.662 8.789 1.00 0.00 C ATOM 389 OD1 ASP A 26 -1.243 -14.514 9.702 1.00 0.00 O ATOM 390 OD2 ASP A 26 -0.646 -13.818 7.705 1.00 0.00 O ATOM 0 H ASP A 26 -2.274 -9.940 9.495 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.324 -12.312 11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.082 -12.568 8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.741 -11.654 8.238 1.00 0.00 H new ATOM 395 N GLY A 27 0.584 -11.468 9.798 1.00 0.00 N ATOM 396 CA GLY A 27 2.017 -11.535 10.023 1.00 0.00 C ATOM 397 C GLY A 27 2.801 -10.735 9.001 1.00 0.00 C ATOM 398 O GLY A 27 3.641 -11.282 8.287 1.00 0.00 O ATOM 0 H GLY A 27 0.309 -11.090 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.243 -11.163 11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.339 -12.576 9.990 1.00 0.00 H new ATOM 402 N SER A 28 2.526 -9.437 8.930 1.00 0.00 N ATOM 403 CA SER A 28 3.209 -8.561 7.985 1.00 0.00 C ATOM 404 C SER A 28 3.484 -7.197 8.609 1.00 0.00 C ATOM 405 O SER A 28 2.758 -6.749 9.496 1.00 0.00 O ATOM 406 CB SER A 28 2.371 -8.394 6.716 1.00 0.00 C ATOM 407 OG SER A 28 2.651 -7.160 6.078 1.00 0.00 O ATOM 0 H SER A 28 1.835 -8.968 9.516 1.00 0.00 H new ATOM 0 HA SER A 28 4.163 -9.021 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.576 -9.216 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.311 -8.445 6.967 1.00 0.00 H new ATOM 0 HG SER A 28 2.104 -7.078 5.269 1.00 0.00 H new ATOM 413 N VAL A 29 4.540 -6.540 8.138 1.00 0.00 N ATOM 414 CA VAL A 29 4.913 -5.226 8.648 1.00 0.00 C ATOM 415 C VAL A 29 6.075 -4.638 7.856 1.00 0.00 C ATOM 416 O VAL A 29 7.205 -5.118 7.942 1.00 0.00 O ATOM 417 CB VAL A 29 5.303 -5.292 10.137 1.00 0.00 C ATOM 418 CG1 VAL A 29 6.345 -6.375 10.369 1.00 0.00 C ATOM 419 CG2 VAL A 29 5.811 -3.940 10.615 1.00 0.00 C ATOM 0 H VAL A 29 5.152 -6.897 7.404 1.00 0.00 H new ATOM 0 HA VAL A 29 4.039 -4.584 8.536 1.00 0.00 H new ATOM 0 HB VAL A 29 4.415 -5.546 10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.608 -6.406 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.940 -7.341 10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.236 -6.155 9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.082 -4.005 11.669 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.686 -3.654 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.029 -3.191 10.487 1.00 0.00 H new ATOM 429 N VAL A 30 5.789 -3.596 7.082 1.00 0.00 N ATOM 430 CA VAL A 30 6.810 -2.940 6.274 1.00 0.00 C ATOM 431 C VAL A 30 6.494 -1.461 6.084 1.00 0.00 C ATOM 432 O VAL A 30 5.373 -1.096 5.733 1.00 0.00 O ATOM 433 CB VAL A 30 6.946 -3.606 4.892 1.00 0.00 C ATOM 434 CG1 VAL A 30 7.977 -2.875 4.046 1.00 0.00 C ATOM 435 CG2 VAL A 30 7.312 -5.075 5.043 1.00 0.00 C ATOM 0 H VAL A 30 4.858 -3.188 6.997 1.00 0.00 H new ATOM 0 HA VAL A 30 7.752 -3.041 6.812 1.00 0.00 H new ATOM 0 HB VAL A 30 5.985 -3.545 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.059 -3.360 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.667 -1.839 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.944 -2.902 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.404 -5.530 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.261 -5.161 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.534 -5.588 5.608 1.00 0.00 H new ATOM 445 N GLN A 31 7.492 -0.614 6.319 1.00 0.00 N ATOM 446 CA GLN A 31 7.320 0.827 6.173 1.00 0.00 C ATOM 447 C GLN A 31 7.448 1.246 4.712 1.00 0.00 C ATOM 448 O GLN A 31 8.202 0.644 3.947 1.00 0.00 O ATOM 449 CB GLN A 31 8.350 1.573 7.023 1.00 0.00 C ATOM 450 CG GLN A 31 8.310 1.199 8.495 1.00 0.00 C ATOM 451 CD GLN A 31 9.666 1.309 9.163 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.444 2.218 8.868 1.00 0.00 O ATOM 453 NE2 GLN A 31 9.958 0.383 10.068 1.00 0.00 N ATOM 0 H GLN A 31 8.426 -0.900 6.611 1.00 0.00 H new ATOM 0 HA GLN A 31 6.319 1.085 6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.347 1.370 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.182 2.645 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.602 1.847 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.941 0.178 8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.284 -0.352 10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.857 0.406 10.550 1.00 0.00 H new ATOM 462 N PHE A 32 6.708 2.281 4.331 1.00 0.00 N ATOM 463 CA PHE A 32 6.738 2.780 2.961 1.00 0.00 C ATOM 464 C PHE A 32 6.454 4.279 2.922 1.00 0.00 C ATOM 465 O PHE A 32 5.896 4.842 3.863 1.00 0.00 O ATOM 466 CB PHE A 32 5.717 2.033 2.101 1.00 0.00 C ATOM 467 CG PHE A 32 6.340 1.069 1.132 1.00 0.00 C ATOM 468 CD1 PHE A 32 6.650 -0.223 1.522 1.00 0.00 C ATOM 469 CD2 PHE A 32 6.615 1.456 -0.170 1.00 0.00 C ATOM 470 CE1 PHE A 32 7.223 -1.112 0.633 1.00 0.00 C ATOM 471 CE2 PHE A 32 7.187 0.571 -1.064 1.00 0.00 C ATOM 472 CZ PHE A 32 7.493 -0.714 -0.662 1.00 0.00 C ATOM 0 H PHE A 32 6.080 2.791 4.952 1.00 0.00 H new ATOM 0 HA PHE A 32 7.736 2.607 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.033 1.489 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.121 2.758 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.441 -0.540 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.380 2.460 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.460 -2.117 0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.395 0.884 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.942 -1.406 -1.358 1.00 0.00 H new ATOM 482 N LYS A 33 6.843 4.920 1.824 1.00 0.00 N ATOM 483 CA LYS A 33 6.631 6.353 1.659 1.00 0.00 C ATOM 484 C LYS A 33 5.934 6.650 0.335 1.00 0.00 C ATOM 485 O LYS A 33 6.196 5.998 -0.675 1.00 0.00 O ATOM 486 CB LYS A 33 7.966 7.098 1.723 1.00 0.00 C ATOM 487 CG LYS A 33 8.902 6.769 0.573 1.00 0.00 C ATOM 488 CD LYS A 33 8.959 7.900 -0.440 1.00 0.00 C ATOM 489 CE LYS A 33 9.323 7.390 -1.826 1.00 0.00 C ATOM 490 NZ LYS A 33 10.787 7.157 -1.964 1.00 0.00 N ATOM 0 H LYS A 33 7.307 4.469 1.035 1.00 0.00 H new ATOM 0 HA LYS A 33 5.991 6.697 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.774 8.171 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.462 6.858 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.902 6.576 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.569 5.855 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.993 8.404 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.692 8.640 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.787 6.462 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.998 8.111 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.995 6.810 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.297 8.048 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.093 6.450 -1.266 1.00 0.00 H new ATOM 504 N ILE A 34 5.047 7.639 0.348 1.00 0.00 N ATOM 505 CA ILE A 34 4.315 8.024 -0.852 1.00 0.00 C ATOM 506 C ILE A 34 3.778 9.447 -0.736 1.00 0.00 C ATOM 507 O ILE A 34 3.771 10.034 0.346 1.00 0.00 O ATOM 508 CB ILE A 34 3.142 7.065 -1.128 1.00 0.00 C ATOM 509 CG1 ILE A 34 2.842 7.009 -2.627 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.908 7.501 -0.352 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.523 5.618 -3.128 1.00 0.00 C ATOM 0 H ILE A 34 4.818 8.188 1.176 1.00 0.00 H new ATOM 0 HA ILE A 34 5.020 7.971 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 34 3.423 6.066 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.001 7.667 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.701 7.396 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.087 6.814 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.128 7.495 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.623 8.508 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.321 5.654 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.372 4.960 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.646 5.235 -2.606 1.00 0.00 H new ATOM 523 N LYS A 35 3.326 9.996 -1.859 1.00 0.00 N ATOM 524 CA LYS A 35 2.784 11.349 -1.884 1.00 0.00 C ATOM 525 C LYS A 35 1.338 11.365 -1.396 1.00 0.00 C ATOM 526 O LYS A 35 0.606 10.389 -1.563 1.00 0.00 O ATOM 527 CB LYS A 35 2.862 11.925 -3.300 1.00 0.00 C ATOM 528 CG LYS A 35 4.200 11.690 -3.979 1.00 0.00 C ATOM 529 CD LYS A 35 4.175 12.141 -5.430 1.00 0.00 C ATOM 530 CE LYS A 35 5.559 12.077 -6.058 1.00 0.00 C ATOM 531 NZ LYS A 35 5.543 12.512 -7.482 1.00 0.00 N ATOM 0 H LYS A 35 3.325 9.524 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 35 3.382 11.966 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.073 11.482 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.668 12.997 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.981 12.229 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.453 10.631 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.488 11.512 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.795 13.161 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.244 12.709 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.940 11.058 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.482 12.358 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.834 11.960 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.302 13.522 -7.534 1.00 0.00 H new ATOM 545 N ARG A 36 0.934 12.479 -0.795 1.00 0.00 N ATOM 546 CA ARG A 36 -0.424 12.621 -0.283 1.00 0.00 C ATOM 547 C ARG A 36 -1.449 12.304 -1.368 1.00 0.00 C ATOM 548 O ARG A 36 -2.384 11.533 -1.147 1.00 0.00 O ATOM 549 CB ARG A 36 -0.646 14.039 0.246 1.00 0.00 C ATOM 550 CG ARG A 36 -2.027 14.257 0.842 1.00 0.00 C ATOM 551 CD ARG A 36 -2.170 15.656 1.421 1.00 0.00 C ATOM 552 NE ARG A 36 -3.056 15.680 2.582 1.00 0.00 N ATOM 553 CZ ARG A 36 -3.626 16.785 3.049 1.00 0.00 C ATOM 554 NH1 ARG A 36 -3.403 17.951 2.456 1.00 0.00 N ATOM 555 NH2 ARG A 36 -4.420 16.727 4.110 1.00 0.00 N ATOM 0 H ARG A 36 1.527 13.296 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.554 11.912 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.106 14.257 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.494 14.749 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.785 14.101 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.208 13.519 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.188 16.032 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.558 16.327 0.655 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.247 14.800 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.793 18.000 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.842 18.798 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.594 15.833 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.857 17.577 4.467 1.00 0.00 H new ATOM 569 N HIS A 37 -1.268 12.905 -2.540 1.00 0.00 N ATOM 570 CA HIS A 37 -2.177 12.687 -3.659 1.00 0.00 C ATOM 571 C HIS A 37 -1.606 11.659 -4.631 1.00 0.00 C ATOM 572 O HIS A 37 -1.106 12.010 -5.701 1.00 0.00 O ATOM 573 CB HIS A 37 -2.445 14.003 -4.390 1.00 0.00 C ATOM 574 CG HIS A 37 -3.328 13.853 -5.590 1.00 0.00 C ATOM 575 ND1 HIS A 37 -3.167 14.595 -6.741 1.00 0.00 N ATOM 576 CD2 HIS A 37 -4.385 13.037 -5.816 1.00 0.00 C ATOM 577 CE1 HIS A 37 -4.087 14.245 -7.621 1.00 0.00 C ATOM 578 NE2 HIS A 37 -4.839 13.300 -7.085 1.00 0.00 N ATOM 0 H HIS A 37 -0.500 13.546 -2.739 1.00 0.00 H new ATOM 0 HA HIS A 37 -3.117 12.303 -3.262 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.905 14.707 -3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.494 14.437 -4.701 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.795 12.314 -5.126 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.205 14.661 -8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.628 12.841 -7.540 1.00 0.00 H new ATOM 586 N THR A 38 -1.682 10.387 -4.253 1.00 0.00 N ATOM 587 CA THR A 38 -1.171 9.308 -5.089 1.00 0.00 C ATOM 588 C THR A 38 -2.039 8.061 -4.969 1.00 0.00 C ATOM 589 O THR A 38 -2.470 7.677 -3.882 1.00 0.00 O ATOM 590 CB THR A 38 0.279 8.948 -4.717 1.00 0.00 C ATOM 591 OG1 THR A 38 1.193 9.743 -5.481 1.00 0.00 O ATOM 592 CG2 THR A 38 0.552 7.472 -4.967 1.00 0.00 C ATOM 0 H THR A 38 -2.093 10.079 -3.372 1.00 0.00 H new ATOM 0 HA THR A 38 -1.196 9.667 -6.118 1.00 0.00 H new ATOM 0 HB THR A 38 0.419 9.153 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.756 10.579 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.583 7.242 -4.697 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.125 6.869 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.394 7.246 -6.022 1.00 0.00 H new ATOM 600 N PRO A 39 -2.304 7.411 -6.113 1.00 0.00 N ATOM 601 CA PRO A 39 -3.122 6.196 -6.161 1.00 0.00 C ATOM 602 C PRO A 39 -2.421 4.999 -5.529 1.00 0.00 C ATOM 603 O PRO A 39 -1.361 4.572 -5.990 1.00 0.00 O ATOM 604 CB PRO A 39 -3.326 5.965 -7.661 1.00 0.00 C ATOM 605 CG PRO A 39 -2.158 6.627 -8.308 1.00 0.00 C ATOM 606 CD PRO A 39 -1.823 7.812 -7.446 1.00 0.00 C ATOM 0 HA PRO A 39 -4.051 6.308 -5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.359 4.901 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.266 6.397 -8.004 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.312 5.944 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.400 6.939 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.752 8.016 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.319 8.717 -7.797 1.00 0.00 H new ATOM 614 N LEU A 40 -3.018 4.461 -4.471 1.00 0.00 N ATOM 615 CA LEU A 40 -2.450 3.311 -3.774 1.00 0.00 C ATOM 616 C LEU A 40 -2.133 2.185 -4.752 1.00 0.00 C ATOM 617 O LEU A 40 -1.279 1.339 -4.485 1.00 0.00 O ATOM 618 CB LEU A 40 -3.418 2.812 -2.700 1.00 0.00 C ATOM 619 CG LEU A 40 -3.900 3.857 -1.693 1.00 0.00 C ATOM 620 CD1 LEU A 40 -5.283 3.498 -1.172 1.00 0.00 C ATOM 621 CD2 LEU A 40 -2.912 3.986 -0.544 1.00 0.00 C ATOM 0 H LEU A 40 -3.895 4.802 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.521 3.627 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.290 2.385 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.935 2.003 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.964 4.820 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.610 4.253 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.986 3.458 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.246 2.525 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.271 4.734 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.815 3.026 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.940 4.291 -0.932 1.00 0.00 H new ATOM 633 N SER A 41 -2.824 2.181 -5.887 1.00 0.00 N ATOM 634 CA SER A 41 -2.617 1.157 -6.905 1.00 0.00 C ATOM 635 C SER A 41 -1.131 0.974 -7.197 1.00 0.00 C ATOM 636 O SER A 41 -0.594 -0.128 -7.079 1.00 0.00 O ATOM 637 CB SER A 41 -3.359 1.528 -8.190 1.00 0.00 C ATOM 638 OG SER A 41 -2.901 2.767 -8.704 1.00 0.00 O ATOM 0 H SER A 41 -3.532 2.875 -6.125 1.00 0.00 H new ATOM 0 HA SER A 41 -3.013 0.216 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.215 0.746 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.429 1.586 -7.992 1.00 0.00 H new ATOM 0 HG SER A 41 -3.390 2.981 -9.526 1.00 0.00 H new ATOM 644 N LYS A 42 -0.471 2.062 -7.579 1.00 0.00 N ATOM 645 CA LYS A 42 0.953 2.025 -7.888 1.00 0.00 C ATOM 646 C LYS A 42 1.737 1.359 -6.761 1.00 0.00 C ATOM 647 O LYS A 42 2.775 0.739 -6.995 1.00 0.00 O ATOM 648 CB LYS A 42 1.482 3.441 -8.123 1.00 0.00 C ATOM 649 CG LYS A 42 1.795 4.195 -6.842 1.00 0.00 C ATOM 650 CD LYS A 42 2.303 5.597 -7.130 1.00 0.00 C ATOM 651 CE LYS A 42 3.569 5.569 -7.974 1.00 0.00 C ATOM 652 NZ LYS A 42 3.269 5.689 -9.428 1.00 0.00 N ATOM 0 H LYS A 42 -0.900 2.981 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 42 1.087 1.438 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.384 3.386 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.745 4.005 -8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.899 4.252 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.543 3.647 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.531 6.165 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.502 6.113 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.226 6.384 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.108 4.640 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.791 4.958 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.248 5.564 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.558 6.629 -9.766 1.00 0.00 H new ATOM 666 N LEU A 43 1.233 1.491 -5.538 1.00 0.00 N ATOM 667 CA LEU A 43 1.885 0.900 -4.375 1.00 0.00 C ATOM 668 C LEU A 43 1.689 -0.612 -4.349 1.00 0.00 C ATOM 669 O LEU A 43 2.650 -1.374 -4.448 1.00 0.00 O ATOM 670 CB LEU A 43 1.335 1.519 -3.088 1.00 0.00 C ATOM 671 CG LEU A 43 2.307 1.594 -1.910 1.00 0.00 C ATOM 672 CD1 LEU A 43 3.537 2.407 -2.284 1.00 0.00 C ATOM 673 CD2 LEU A 43 1.621 2.192 -0.690 1.00 0.00 C ATOM 0 H LEU A 43 0.376 2.002 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 43 2.953 1.108 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.990 2.528 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.462 0.945 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 43 2.627 0.582 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.217 2.450 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.041 1.937 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.235 3.418 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.328 2.238 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.272 3.197 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.772 1.570 -0.409 1.00 0.00 H new ATOM 685 N MET A 44 0.437 -1.039 -4.219 1.00 0.00 N ATOM 686 CA MET A 44 0.115 -2.461 -4.185 1.00 0.00 C ATOM 687 C MET A 44 0.721 -3.185 -5.382 1.00 0.00 C ATOM 688 O MET A 44 1.311 -4.256 -5.240 1.00 0.00 O ATOM 689 CB MET A 44 -1.402 -2.662 -4.167 1.00 0.00 C ATOM 690 CG MET A 44 -2.123 -1.947 -5.298 1.00 0.00 C ATOM 691 SD MET A 44 -3.917 -2.027 -5.139 1.00 0.00 S ATOM 692 CE MET A 44 -4.233 -3.695 -5.710 1.00 0.00 C ATOM 0 H MET A 44 -0.370 -0.421 -4.136 1.00 0.00 H new ATOM 0 HA MET A 44 0.541 -2.882 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.620 -3.728 -4.225 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.796 -2.308 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.810 -0.903 -5.320 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.826 -2.389 -6.249 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.304 -3.896 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.881 -3.801 -6.736 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.707 -4.404 -5.071 1.00 0.00 H new ATOM 702 N LYS A 45 0.572 -2.594 -6.563 1.00 0.00 N ATOM 703 CA LYS A 45 1.106 -3.181 -7.786 1.00 0.00 C ATOM 704 C LYS A 45 2.577 -3.545 -7.618 1.00 0.00 C ATOM 705 O LYS A 45 2.978 -4.682 -7.867 1.00 0.00 O ATOM 706 CB LYS A 45 0.940 -2.210 -8.957 1.00 0.00 C ATOM 707 CG LYS A 45 -0.474 -2.161 -9.511 1.00 0.00 C ATOM 708 CD LYS A 45 -0.793 -3.396 -10.337 1.00 0.00 C ATOM 709 CE LYS A 45 -1.918 -3.130 -11.325 1.00 0.00 C ATOM 710 NZ LYS A 45 -2.210 -4.324 -12.167 1.00 0.00 N ATOM 0 H LYS A 45 0.085 -1.708 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 45 0.546 -4.093 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.229 -1.210 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.624 -2.497 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.185 -2.078 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.594 -1.270 -10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.099 -3.714 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.075 -4.215 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.817 -2.840 -10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.648 -2.291 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.229 -4.046 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.471 -5.041 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.134 -4.720 -11.900 1.00 0.00 H new ATOM 724 N ALA A 46 3.378 -2.573 -7.193 1.00 0.00 N ATOM 725 CA ALA A 46 4.804 -2.793 -6.989 1.00 0.00 C ATOM 726 C ALA A 46 5.049 -3.881 -5.949 1.00 0.00 C ATOM 727 O ALA A 46 5.925 -4.729 -6.118 1.00 0.00 O ATOM 728 CB ALA A 46 5.483 -1.497 -6.569 1.00 0.00 C ATOM 0 H ALA A 46 3.063 -1.626 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 46 5.233 -3.127 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.548 -1.676 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.347 -0.746 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.041 -1.140 -5.639 1.00 0.00 H new ATOM 734 N TYR A 47 4.269 -3.852 -4.874 1.00 0.00 N ATOM 735 CA TYR A 47 4.403 -4.834 -3.805 1.00 0.00 C ATOM 736 C TYR A 47 4.399 -6.253 -4.366 1.00 0.00 C ATOM 737 O TYR A 47 5.430 -6.927 -4.387 1.00 0.00 O ATOM 738 CB TYR A 47 3.271 -4.672 -2.790 1.00 0.00 C ATOM 739 CG TYR A 47 3.409 -5.569 -1.580 1.00 0.00 C ATOM 740 CD1 TYR A 47 4.659 -5.862 -1.047 1.00 0.00 C ATOM 741 CD2 TYR A 47 2.291 -6.122 -0.970 1.00 0.00 C ATOM 742 CE1 TYR A 47 4.790 -6.681 0.057 1.00 0.00 C ATOM 743 CE2 TYR A 47 2.412 -6.941 0.136 1.00 0.00 C ATOM 744 CZ TYR A 47 3.664 -7.218 0.645 1.00 0.00 C ATOM 745 OH TYR A 47 3.790 -8.033 1.747 1.00 0.00 O ATOM 0 H TYR A 47 3.537 -3.159 -4.720 1.00 0.00 H new ATOM 0 HA TYR A 47 5.357 -4.662 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.236 -3.634 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.321 -4.882 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.543 -5.442 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.310 -5.908 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.769 -6.900 0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.532 -7.362 0.599 1.00 0.00 H new ATOM 0 HH TYR A 47 2.919 -8.427 1.964 1.00 0.00 H new ATOM 755 N CYS A 48 3.233 -6.699 -4.820 1.00 0.00 N ATOM 756 CA CYS A 48 3.093 -8.038 -5.382 1.00 0.00 C ATOM 757 C CYS A 48 4.141 -8.287 -6.462 1.00 0.00 C ATOM 758 O CYS A 48 4.580 -9.418 -6.664 1.00 0.00 O ATOM 759 CB CYS A 48 1.690 -8.226 -5.962 1.00 0.00 C ATOM 760 SG CYS A 48 0.360 -8.037 -4.752 1.00 0.00 S ATOM 0 H CYS A 48 2.371 -6.153 -4.810 1.00 0.00 H new ATOM 0 HA CYS A 48 3.246 -8.760 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.541 -7.505 -6.765 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.623 -9.218 -6.408 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.757 -7.788 -5.370 1.00 0.00 H new ATOM 766 N GLU A 49 4.535 -7.222 -7.153 1.00 0.00 N ATOM 767 CA GLU A 49 5.529 -7.327 -8.214 1.00 0.00 C ATOM 768 C GLU A 49 6.770 -8.070 -7.727 1.00 0.00 C ATOM 769 O GLU A 49 7.320 -8.913 -8.436 1.00 0.00 O ATOM 770 CB GLU A 49 5.920 -5.935 -8.717 1.00 0.00 C ATOM 771 CG GLU A 49 6.362 -5.915 -10.170 1.00 0.00 C ATOM 772 CD GLU A 49 7.372 -4.820 -10.457 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.109 -3.658 -10.085 1.00 0.00 O ATOM 774 OE2 GLU A 49 8.425 -5.127 -11.055 1.00 0.00 O ATOM 0 H GLU A 49 4.181 -6.278 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 49 5.087 -7.892 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.071 -5.262 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.727 -5.547 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.796 -6.881 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.490 -5.777 -10.809 1.00 0.00 H new ATOM 781 N ARG A 50 7.204 -7.752 -6.512 1.00 0.00 N ATOM 782 CA ARG A 50 8.380 -8.387 -5.930 1.00 0.00 C ATOM 783 C ARG A 50 7.975 -9.475 -4.939 1.00 0.00 C ATOM 784 O ARG A 50 8.672 -10.478 -4.786 1.00 0.00 O ATOM 785 CB ARG A 50 9.255 -7.346 -5.230 1.00 0.00 C ATOM 786 CG ARG A 50 8.490 -6.458 -4.262 1.00 0.00 C ATOM 787 CD ARG A 50 9.368 -6.008 -3.106 1.00 0.00 C ATOM 788 NE ARG A 50 9.680 -4.583 -3.178 1.00 0.00 N ATOM 789 CZ ARG A 50 10.656 -4.081 -3.927 1.00 0.00 C ATOM 790 NH1 ARG A 50 11.410 -4.884 -4.664 1.00 0.00 N ATOM 791 NH2 ARG A 50 10.878 -2.773 -3.940 1.00 0.00 N ATOM 0 H ARG A 50 6.759 -7.058 -5.911 1.00 0.00 H new ATOM 0 HA ARG A 50 8.950 -8.847 -6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.051 -7.858 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.733 -6.720 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.108 -5.585 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.626 -6.999 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.864 -6.222 -2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.294 -6.583 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 50 9.118 -3.938 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.242 -5.890 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.159 -4.496 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.299 -2.152 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.627 -2.389 -4.515 1.00 0.00 H new ATOM 805 N GLN A 51 6.845 -9.269 -4.270 1.00 0.00 N ATOM 806 CA GLN A 51 6.349 -10.231 -3.294 1.00 0.00 C ATOM 807 C GLN A 51 4.876 -10.542 -3.535 1.00 0.00 C ATOM 808 O GLN A 51 4.021 -10.224 -2.710 1.00 0.00 O ATOM 809 CB GLN A 51 6.544 -9.696 -1.874 1.00 0.00 C ATOM 810 CG GLN A 51 7.907 -10.017 -1.284 1.00 0.00 C ATOM 811 CD GLN A 51 7.990 -11.430 -0.740 1.00 0.00 C ATOM 812 OE1 GLN A 51 6.997 -12.159 -0.720 1.00 0.00 O ATOM 813 NE2 GLN A 51 9.177 -11.826 -0.296 1.00 0.00 N ATOM 0 H GLN A 51 6.256 -8.444 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 51 6.919 -11.153 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.406 -8.615 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.771 -10.113 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.671 -9.881 -2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.128 -9.310 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.973 -11.189 -0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.293 -12.767 0.080 1.00 0.00 H new ATOM 822 N GLY A 52 4.587 -11.166 -4.673 1.00 0.00 N ATOM 823 CA GLY A 52 3.216 -11.509 -5.004 1.00 0.00 C ATOM 824 C GLY A 52 2.812 -12.867 -4.467 1.00 0.00 C ATOM 825 O GLY A 52 2.652 -13.822 -5.229 1.00 0.00 O ATOM 0 H GLY A 52 5.278 -11.440 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.547 -10.749 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.094 -11.499 -6.087 1.00 0.00 H new ATOM 829 N LEU A 53 2.649 -12.957 -3.151 1.00 0.00 N ATOM 830 CA LEU A 53 2.263 -14.211 -2.512 1.00 0.00 C ATOM 831 C LEU A 53 0.745 -14.337 -2.433 1.00 0.00 C ATOM 832 O LEU A 53 0.205 -15.442 -2.403 1.00 0.00 O ATOM 833 CB LEU A 53 2.868 -14.298 -1.110 1.00 0.00 C ATOM 834 CG LEU A 53 4.350 -13.939 -0.994 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.849 -14.183 0.421 1.00 0.00 C ATOM 836 CD2 LEU A 53 5.171 -14.737 -1.996 1.00 0.00 C ATOM 0 H LEU A 53 2.778 -12.177 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 53 2.646 -15.033 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.303 -13.639 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.731 -15.314 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 53 4.467 -12.879 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.905 -13.922 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.281 -13.568 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.719 -15.235 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.223 -14.469 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.048 -15.802 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.830 -14.512 -3.007 1.00 0.00 H new ATOM 848 N SER A 54 0.063 -13.197 -2.401 1.00 0.00 N ATOM 849 CA SER A 54 -1.393 -13.179 -2.323 1.00 0.00 C ATOM 850 C SER A 54 -1.946 -11.835 -2.787 1.00 0.00 C ATOM 851 O SER A 54 -2.289 -10.978 -1.972 1.00 0.00 O ATOM 852 CB SER A 54 -1.852 -13.466 -0.892 1.00 0.00 C ATOM 853 OG SER A 54 -1.108 -12.707 0.044 1.00 0.00 O ATOM 0 H SER A 54 0.495 -12.274 -2.428 1.00 0.00 H new ATOM 0 HA SER A 54 -1.777 -13.957 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.912 -13.233 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.738 -14.528 -0.676 1.00 0.00 H new ATOM 0 HG SER A 54 -1.422 -12.907 0.951 1.00 0.00 H new ATOM 859 N MET A 55 -2.029 -11.658 -4.101 1.00 0.00 N ATOM 860 CA MET A 55 -2.541 -10.418 -4.674 1.00 0.00 C ATOM 861 C MET A 55 -4.066 -10.402 -4.661 1.00 0.00 C ATOM 862 O MET A 55 -4.686 -9.341 -4.739 1.00 0.00 O ATOM 863 CB MET A 55 -2.030 -10.244 -6.106 1.00 0.00 C ATOM 864 CG MET A 55 -2.545 -11.302 -7.068 1.00 0.00 C ATOM 865 SD MET A 55 -1.530 -11.446 -8.551 1.00 0.00 S ATOM 866 CE MET A 55 -2.788 -11.701 -9.799 1.00 0.00 C ATOM 0 H MET A 55 -1.749 -12.357 -4.789 1.00 0.00 H new ATOM 0 HA MET A 55 -2.181 -9.589 -4.064 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.323 -9.260 -6.471 1.00 0.00 H new ATOM 0 HB3 MET A 55 -0.940 -10.270 -6.100 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.577 -12.265 -6.559 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.568 -11.059 -7.355 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.315 -11.808 -10.775 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.352 -12.605 -9.568 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.463 -10.846 -9.815 1.00 0.00 H new ATOM 876 N ARG A 56 -4.665 -11.585 -4.560 1.00 0.00 N ATOM 877 CA ARG A 56 -6.118 -11.706 -4.538 1.00 0.00 C ATOM 878 C ARG A 56 -6.656 -11.534 -3.121 1.00 0.00 C ATOM 879 O ARG A 56 -7.854 -11.681 -2.880 1.00 0.00 O ATOM 880 CB ARG A 56 -6.546 -13.064 -5.097 1.00 0.00 C ATOM 881 CG ARG A 56 -6.274 -14.224 -4.152 1.00 0.00 C ATOM 882 CD ARG A 56 -6.497 -15.563 -4.837 1.00 0.00 C ATOM 883 NE ARG A 56 -5.633 -15.733 -6.002 1.00 0.00 N ATOM 884 CZ ARG A 56 -5.514 -16.876 -6.668 1.00 0.00 C ATOM 885 NH1 ARG A 56 -6.200 -17.944 -6.287 1.00 0.00 N ATOM 886 NH2 ARG A 56 -4.707 -16.952 -7.719 1.00 0.00 N ATOM 0 H ARG A 56 -4.167 -12.472 -4.492 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.533 -10.916 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.611 -13.034 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.024 -13.242 -6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.248 -14.166 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.925 -14.146 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.311 -16.369 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.540 -15.644 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.091 -14.930 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.822 -17.890 -5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.106 -18.820 -6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.178 -16.132 -8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.616 -17.830 -8.230 1.00 0.00 H new ATOM 900 N GLN A 57 -5.762 -11.223 -2.188 1.00 0.00 N ATOM 901 CA GLN A 57 -6.148 -11.032 -0.794 1.00 0.00 C ATOM 902 C GLN A 57 -5.785 -9.630 -0.316 1.00 0.00 C ATOM 903 O GLN A 57 -6.157 -9.225 0.786 1.00 0.00 O ATOM 904 CB GLN A 57 -5.469 -12.078 0.092 1.00 0.00 C ATOM 905 CG GLN A 57 -6.025 -13.481 -0.088 1.00 0.00 C ATOM 906 CD GLN A 57 -4.994 -14.558 0.189 1.00 0.00 C ATOM 907 OE1 GLN A 57 -4.010 -14.324 0.891 1.00 0.00 O ATOM 908 NE2 GLN A 57 -5.215 -15.746 -0.361 1.00 0.00 N ATOM 0 H GLN A 57 -4.766 -11.098 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.229 -11.151 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.401 -12.089 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.578 -11.784 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.876 -13.618 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.396 -13.592 -1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.044 -15.896 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.556 -16.509 -0.209 1.00 0.00 H new ATOM 917 N ILE A 58 -5.057 -8.896 -1.150 1.00 0.00 N ATOM 918 CA ILE A 58 -4.645 -7.539 -0.812 1.00 0.00 C ATOM 919 C ILE A 58 -5.854 -6.642 -0.569 1.00 0.00 C ATOM 920 O ILE A 58 -6.670 -6.426 -1.465 1.00 0.00 O ATOM 921 CB ILE A 58 -3.777 -6.921 -1.923 1.00 0.00 C ATOM 922 CG1 ILE A 58 -2.523 -7.767 -2.151 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.399 -5.491 -1.567 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.592 -7.801 -0.959 1.00 0.00 C ATOM 0 H ILE A 58 -4.740 -9.218 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.056 -7.607 0.103 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.355 -6.904 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.822 -8.786 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.982 -7.376 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.785 -5.068 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.303 -4.894 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.837 -5.485 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.725 -8.419 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.264 -6.788 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.116 -8.220 -0.100 1.00 0.00 H new ATOM 936 N ARG A 59 -5.962 -6.120 0.649 1.00 0.00 N ATOM 937 CA ARG A 59 -7.071 -5.245 1.010 1.00 0.00 C ATOM 938 C ARG A 59 -6.659 -4.273 2.112 1.00 0.00 C ATOM 939 O ARG A 59 -6.322 -4.683 3.222 1.00 0.00 O ATOM 940 CB ARG A 59 -8.273 -6.073 1.468 1.00 0.00 C ATOM 941 CG ARG A 59 -9.241 -6.413 0.347 1.00 0.00 C ATOM 942 CD ARG A 59 -9.952 -5.172 -0.170 1.00 0.00 C ATOM 943 NE ARG A 59 -10.271 -5.277 -1.591 1.00 0.00 N ATOM 944 CZ ARG A 59 -10.726 -4.262 -2.319 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.914 -3.074 -1.762 1.00 0.00 N ATOM 946 NH2 ARG A 59 -10.994 -4.436 -3.607 1.00 0.00 N ATOM 0 H ARG A 59 -5.295 -6.288 1.402 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.350 -4.670 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.915 -6.998 1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.807 -5.524 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.700 -6.891 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.977 -7.132 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.870 -5.017 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.323 -4.298 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.137 -6.178 -2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.709 -2.937 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.263 -2.297 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.851 -5.349 -4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.343 -3.657 -4.165 1.00 0.00 H new ATOM 960 N PHE A 60 -6.689 -2.982 1.796 1.00 0.00 N ATOM 961 CA PHE A 60 -6.318 -1.951 2.758 1.00 0.00 C ATOM 962 C PHE A 60 -7.434 -1.730 3.776 1.00 0.00 C ATOM 963 O PHE A 60 -8.585 -1.495 3.410 1.00 0.00 O ATOM 964 CB PHE A 60 -6.004 -0.639 2.037 1.00 0.00 C ATOM 965 CG PHE A 60 -4.596 -0.561 1.521 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.543 -0.292 2.381 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.324 -0.757 0.176 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.246 -0.218 1.909 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.029 -0.685 -0.301 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.989 -0.417 0.566 1.00 0.00 C ATOM 0 H PHE A 60 -6.966 -2.625 0.881 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.427 -2.288 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.695 -0.517 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.179 0.192 2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.738 -0.138 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.133 -0.968 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.434 -0.005 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.831 -0.838 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.976 -0.363 0.195 1.00 0.00 H new ATOM 980 N ARG A 61 -7.083 -1.810 5.056 1.00 0.00 N ATOM 981 CA ARG A 61 -8.054 -1.620 6.127 1.00 0.00 C ATOM 982 C ARG A 61 -7.386 -1.040 7.370 1.00 0.00 C ATOM 983 O ARG A 61 -6.341 -1.522 7.809 1.00 0.00 O ATOM 984 CB ARG A 61 -8.730 -2.949 6.472 1.00 0.00 C ATOM 985 CG ARG A 61 -10.161 -2.795 6.960 1.00 0.00 C ATOM 986 CD ARG A 61 -10.858 -4.142 7.073 1.00 0.00 C ATOM 987 NE ARG A 61 -10.258 -4.984 8.104 1.00 0.00 N ATOM 988 CZ ARG A 61 -10.808 -6.110 8.545 1.00 0.00 C ATOM 989 NH1 ARG A 61 -11.964 -6.526 8.048 1.00 0.00 N ATOM 990 NH2 ARG A 61 -10.200 -6.822 9.486 1.00 0.00 N ATOM 0 H ARG A 61 -6.134 -2.005 5.376 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.809 -0.915 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.723 -3.590 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.146 -3.456 7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.164 -2.300 7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.714 -2.154 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.913 -3.986 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.811 -4.656 6.113 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.368 -4.692 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.434 -5.981 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.384 -7.391 8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.310 -6.505 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.623 -7.686 9.824 1.00 0.00 H new ATOM 1004 N PHE A 62 -7.995 -0.001 7.932 1.00 0.00 N ATOM 1005 CA PHE A 62 -7.459 0.647 9.123 1.00 0.00 C ATOM 1006 C PHE A 62 -8.376 0.425 10.322 1.00 0.00 C ATOM 1007 O PHE A 62 -9.566 0.152 10.165 1.00 0.00 O ATOM 1008 CB PHE A 62 -7.278 2.146 8.876 1.00 0.00 C ATOM 1009 CG PHE A 62 -6.544 2.851 9.981 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -5.159 2.857 10.018 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -7.240 3.508 10.983 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -4.482 3.505 11.034 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -6.568 4.158 12.002 1.00 0.00 C ATOM 1014 CZ PHE A 62 -5.188 4.157 12.027 1.00 0.00 C ATOM 0 H PHE A 62 -8.860 0.410 7.582 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.488 0.202 9.343 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.736 2.289 7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.258 2.606 8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.602 2.350 9.244 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.320 3.512 10.968 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.402 3.502 11.052 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.122 4.666 12.777 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.661 4.665 12.821 1.00 0.00 H new ATOM 1024 N ASP A 63 -7.813 0.543 11.520 1.00 0.00 N ATOM 1025 CA ASP A 63 -8.579 0.356 12.747 1.00 0.00 C ATOM 1026 C ASP A 63 -9.453 1.574 13.033 1.00 0.00 C ATOM 1027 O ASP A 63 -9.319 2.215 14.074 1.00 0.00 O ATOM 1028 CB ASP A 63 -7.639 0.100 13.926 1.00 0.00 C ATOM 1029 CG ASP A 63 -6.891 -1.213 13.795 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -5.813 -1.221 13.165 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -7.384 -2.231 14.323 1.00 0.00 O ATOM 0 H ASP A 63 -6.829 0.767 11.667 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.227 -0.511 12.613 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.922 0.918 14.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.214 0.096 14.852 1.00 0.00 H new ATOM 1036 N GLY A 64 -10.347 1.886 12.100 1.00 0.00 N ATOM 1037 CA GLY A 64 -11.229 3.026 12.270 1.00 0.00 C ATOM 1038 C GLY A 64 -12.275 3.118 11.177 1.00 0.00 C ATOM 1039 O GLY A 64 -13.402 3.547 11.423 1.00 0.00 O ATOM 0 H GLY A 64 -10.476 1.370 11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.725 2.957 13.238 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.637 3.941 12.280 1.00 0.00 H new ATOM 1043 N GLN A 65 -11.902 2.715 9.967 1.00 0.00 N ATOM 1044 CA GLN A 65 -12.816 2.756 8.832 1.00 0.00 C ATOM 1045 C GLN A 65 -12.247 1.986 7.645 1.00 0.00 C ATOM 1046 O GLN A 65 -11.046 1.726 7.561 1.00 0.00 O ATOM 1047 CB GLN A 65 -13.097 4.205 8.428 1.00 0.00 C ATOM 1048 CG GLN A 65 -14.395 4.754 8.997 1.00 0.00 C ATOM 1049 CD GLN A 65 -15.038 5.786 8.092 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -14.738 6.977 8.178 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -15.929 5.334 7.217 1.00 0.00 N ATOM 0 H GLN A 65 -10.973 2.356 9.747 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.750 2.282 9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.270 4.833 8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.130 4.270 7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.093 3.932 9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.200 5.202 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.148 4.338 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.395 5.982 6.582 1.00 0.00 H new ATOM 1060 N PRO A 66 -13.127 1.612 6.704 1.00 0.00 N ATOM 1061 CA PRO A 66 -12.734 0.867 5.505 1.00 0.00 C ATOM 1062 C PRO A 66 -11.913 1.714 4.539 1.00 0.00 C ATOM 1063 O PRO A 66 -11.683 2.900 4.780 1.00 0.00 O ATOM 1064 CB PRO A 66 -14.074 0.482 4.872 1.00 0.00 C ATOM 1065 CG PRO A 66 -15.032 1.514 5.357 1.00 0.00 C ATOM 1066 CD PRO A 66 -14.573 1.889 6.739 1.00 0.00 C ATOM 0 HA PRO A 66 -12.099 0.014 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.012 0.480 3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.382 -0.518 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.036 2.382 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.049 1.123 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.776 2.937 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.077 1.299 7.504 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.474 1.099 3.446 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.679 1.798 2.443 1.00 0.00 C ATOM 1076 C ILE A 67 -11.182 1.496 1.036 1.00 0.00 C ATOM 1077 O ILE A 67 -11.317 0.336 0.650 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.190 1.416 2.538 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.711 1.499 3.989 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -8.354 2.321 1.646 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -8.769 2.896 4.566 1.00 0.00 C ATOM 0 H ILE A 67 -11.655 0.118 3.232 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.785 2.864 2.643 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.071 0.388 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.320 0.836 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.686 1.133 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.304 2.039 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.682 2.217 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.476 3.357 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.415 2.879 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.137 3.560 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.797 3.257 4.542 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.454 2.549 0.272 1.00 0.00 N ATOM 1094 CA ASN A 68 -11.940 2.397 -1.095 1.00 0.00 C ATOM 1095 C ASN A 68 -10.782 2.397 -2.087 1.00 0.00 C ATOM 1096 O ASN A 68 -9.812 3.136 -1.923 1.00 0.00 O ATOM 1097 CB ASN A 68 -12.921 3.520 -1.437 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.355 3.160 -1.098 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.789 2.029 -1.313 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.096 4.124 -0.565 1.00 0.00 N ATOM 0 H ASN A 68 -11.346 3.517 0.576 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.456 1.439 -1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.638 4.423 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.849 3.750 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.068 3.941 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.693 5.047 -0.405 1.00 0.00 H new ATOM 1107 N GLU A 69 -10.892 1.565 -3.118 1.00 0.00 N ATOM 1108 CA GLU A 69 -9.854 1.470 -4.137 1.00 0.00 C ATOM 1109 C GLU A 69 -9.504 2.849 -4.688 1.00 0.00 C ATOM 1110 O GLU A 69 -8.337 3.154 -4.936 1.00 0.00 O ATOM 1111 CB GLU A 69 -10.307 0.553 -5.275 1.00 0.00 C ATOM 1112 CG GLU A 69 -11.610 0.990 -5.925 1.00 0.00 C ATOM 1113 CD GLU A 69 -12.184 -0.068 -6.848 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -12.758 -1.052 -6.336 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -12.059 0.088 -8.080 1.00 0.00 O ATOM 0 H GLU A 69 -11.689 0.947 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.963 1.047 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.526 0.517 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.424 -0.460 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.339 1.224 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.441 1.907 -6.490 1.00 0.00 H new ATOM 1122 N THR A 70 -10.524 3.680 -4.877 1.00 0.00 N ATOM 1123 CA THR A 70 -10.327 5.026 -5.400 1.00 0.00 C ATOM 1124 C THR A 70 -10.260 6.050 -4.273 1.00 0.00 C ATOM 1125 O THR A 70 -10.759 7.167 -4.406 1.00 0.00 O ATOM 1126 CB THR A 70 -11.454 5.422 -6.372 1.00 0.00 C ATOM 1127 OG1 THR A 70 -11.175 6.702 -6.950 1.00 0.00 O ATOM 1128 CG2 THR A 70 -12.796 5.464 -5.657 1.00 0.00 C ATOM 0 H THR A 70 -11.496 3.444 -4.675 1.00 0.00 H new ATOM 0 HA THR A 70 -9.379 5.020 -5.938 1.00 0.00 H new ATOM 0 HB THR A 70 -11.504 4.671 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.003 7.352 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.576 5.746 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.019 4.480 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.756 6.196 -4.850 1.00 0.00 H new ATOM 1136 N ASP A 71 -9.641 5.661 -3.163 1.00 0.00 N ATOM 1137 CA ASP A 71 -9.508 6.547 -2.013 1.00 0.00 C ATOM 1138 C ASP A 71 -8.052 6.956 -1.807 1.00 0.00 C ATOM 1139 O ASP A 71 -7.132 6.219 -2.164 1.00 0.00 O ATOM 1140 CB ASP A 71 -10.041 5.864 -0.752 1.00 0.00 C ATOM 1141 CG ASP A 71 -10.649 6.849 0.227 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -9.902 7.699 0.754 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -11.873 6.770 0.466 1.00 0.00 O ATOM 0 H ASP A 71 -9.224 4.739 -3.036 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.095 7.445 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.791 5.125 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.229 5.325 -0.264 1.00 0.00 H new ATOM 1148 N THR A 72 -7.850 8.137 -1.230 1.00 0.00 N ATOM 1149 CA THR A 72 -6.508 8.645 -0.979 1.00 0.00 C ATOM 1150 C THR A 72 -6.295 8.929 0.503 1.00 0.00 C ATOM 1151 O THR A 72 -7.244 9.100 1.269 1.00 0.00 O ATOM 1152 CB THR A 72 -6.235 9.932 -1.781 1.00 0.00 C ATOM 1153 OG1 THR A 72 -7.441 10.693 -1.909 1.00 0.00 O ATOM 1154 CG2 THR A 72 -5.688 9.603 -3.162 1.00 0.00 C ATOM 0 H THR A 72 -8.600 8.759 -0.928 1.00 0.00 H new ATOM 0 HA THR A 72 -5.812 7.870 -1.301 1.00 0.00 H new ATOM 0 HB THR A 72 -5.490 10.519 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.260 11.510 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.503 10.527 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.755 9.048 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.413 8.998 -3.706 1.00 0.00 H new ATOM 1162 N PRO A 73 -5.022 8.982 0.920 1.00 0.00 N ATOM 1163 CA PRO A 73 -4.655 9.247 2.314 1.00 0.00 C ATOM 1164 C PRO A 73 -4.953 10.684 2.729 1.00 0.00 C ATOM 1165 O PRO A 73 -4.961 11.008 3.916 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.147 8.984 2.341 1.00 0.00 C ATOM 1167 CG PRO A 73 -2.698 9.216 0.940 1.00 0.00 C ATOM 1168 CD PRO A 73 -3.841 8.787 0.062 1.00 0.00 C ATOM 0 HA PRO A 73 -5.222 8.627 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.640 9.654 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.928 7.966 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.454 10.266 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.799 8.641 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.899 9.389 -0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.739 7.748 -0.251 1.00 0.00 H new ATOM 1176 N ALA A 74 -5.198 11.540 1.743 1.00 0.00 N ATOM 1177 CA ALA A 74 -5.499 12.942 2.006 1.00 0.00 C ATOM 1178 C ALA A 74 -6.866 13.096 2.665 1.00 0.00 C ATOM 1179 O ALA A 74 -7.109 14.059 3.391 1.00 0.00 O ATOM 1180 CB ALA A 74 -5.439 13.746 0.716 1.00 0.00 C ATOM 0 H ALA A 74 -5.194 11.287 0.755 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.747 13.326 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.666 14.791 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.440 13.671 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.168 13.353 0.008 1.00 0.00 H new ATOM 1186 N GLN A 75 -7.753 12.141 2.406 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.096 12.172 2.973 1.00 0.00 C ATOM 1188 C GLN A 75 -9.308 11.009 3.936 1.00 0.00 C ATOM 1189 O GLN A 75 -10.436 10.712 4.330 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.144 12.125 1.859 1.00 0.00 C ATOM 1191 CG GLN A 75 -9.850 11.085 0.790 1.00 0.00 C ATOM 1192 CD GLN A 75 -11.023 10.859 -0.142 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.085 10.399 0.278 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -10.838 11.182 -1.417 1.00 0.00 N ATOM 0 H GLN A 75 -7.566 11.337 1.807 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.207 13.104 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.120 11.917 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.208 13.107 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.984 11.402 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.584 10.142 1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.941 11.560 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.593 11.052 -2.091 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.215 10.352 4.311 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.281 9.220 5.229 1.00 0.00 C ATOM 1205 C LEU A 76 -7.513 9.515 6.513 1.00 0.00 C ATOM 1206 O LEU A 76 -7.667 8.815 7.514 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.718 7.964 4.561 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.559 7.371 3.430 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -7.757 6.338 2.654 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.835 6.754 3.982 1.00 0.00 C ATOM 0 H LEU A 76 -7.274 10.584 3.994 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.327 9.051 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.729 8.199 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.583 7.199 5.326 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.834 8.175 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.372 5.927 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.872 6.810 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.451 5.535 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.421 6.337 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.581 5.962 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.418 7.520 4.492 1.00 0.00 H new ATOM 1222 N GLU A 77 -6.687 10.556 6.477 1.00 0.00 N ATOM 1223 CA GLU A 77 -5.897 10.943 7.640 1.00 0.00 C ATOM 1224 C GLU A 77 -4.982 9.804 8.080 1.00 0.00 C ATOM 1225 O GLU A 77 -4.963 9.427 9.251 1.00 0.00 O ATOM 1226 CB GLU A 77 -6.813 11.352 8.795 1.00 0.00 C ATOM 1227 CG GLU A 77 -7.939 12.283 8.378 1.00 0.00 C ATOM 1228 CD GLU A 77 -8.443 13.139 9.524 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -8.822 12.569 10.569 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -8.458 14.379 9.376 1.00 0.00 O ATOM 0 H GLU A 77 -6.548 11.146 5.656 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.278 11.795 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.241 10.455 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.216 11.840 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.591 12.929 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.764 11.693 7.980 1.00 0.00 H new ATOM 1237 N MET A 78 -4.226 9.260 7.132 1.00 0.00 N ATOM 1238 CA MET A 78 -3.308 8.164 7.422 1.00 0.00 C ATOM 1239 C MET A 78 -1.871 8.560 7.101 1.00 0.00 C ATOM 1240 O MET A 78 -1.287 8.078 6.131 1.00 0.00 O ATOM 1241 CB MET A 78 -3.698 6.920 6.622 1.00 0.00 C ATOM 1242 CG MET A 78 -5.192 6.639 6.623 1.00 0.00 C ATOM 1243 SD MET A 78 -5.573 4.908 6.951 1.00 0.00 S ATOM 1244 CE MET A 78 -7.331 5.005 7.284 1.00 0.00 C ATOM 0 H MET A 78 -4.231 9.560 6.157 1.00 0.00 H new ATOM 0 HA MET A 78 -3.374 7.938 8.486 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.360 7.040 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.174 6.056 7.031 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.674 7.262 7.376 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.612 6.923 5.658 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.807 4.066 7.002 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.490 5.188 8.347 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.766 5.820 6.706 1.00 0.00 H new ATOM 1254 N GLU A 79 -1.306 9.439 7.923 1.00 0.00 N ATOM 1255 CA GLU A 79 0.064 9.899 7.725 1.00 0.00 C ATOM 1256 C GLU A 79 0.810 9.975 9.054 1.00 0.00 C ATOM 1257 O GLU A 79 0.349 9.450 10.068 1.00 0.00 O ATOM 1258 CB GLU A 79 0.071 11.268 7.043 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.127 11.505 6.140 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.023 12.803 5.361 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -0.154 13.631 5.704 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -1.811 12.989 4.411 1.00 0.00 O ATOM 0 H GLU A 79 -1.775 9.847 8.732 1.00 0.00 H new ATOM 0 HA GLU A 79 0.573 9.179 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.098 12.045 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.983 11.367 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.221 10.673 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.035 11.519 6.743 1.00 0.00 H new ATOM 1269 N ASP A 80 1.964 10.633 9.040 1.00 0.00 N ATOM 1270 CA ASP A 80 2.774 10.780 10.244 1.00 0.00 C ATOM 1271 C ASP A 80 3.241 9.420 10.754 1.00 0.00 C ATOM 1272 O ASP A 80 3.122 9.118 11.941 1.00 0.00 O ATOM 1273 CB ASP A 80 1.981 11.502 11.334 1.00 0.00 C ATOM 1274 CG ASP A 80 2.850 12.422 12.169 1.00 0.00 C ATOM 1275 OD1 ASP A 80 3.220 13.505 11.668 1.00 0.00 O ATOM 1276 OD2 ASP A 80 3.162 12.059 13.323 1.00 0.00 O ATOM 0 H ASP A 80 2.359 11.073 8.209 1.00 0.00 H new ATOM 0 HA ASP A 80 3.652 11.374 9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.181 12.082 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.508 10.765 11.983 1.00 0.00 H new ATOM 1281 N GLU A 81 3.771 8.604 9.848 1.00 0.00 N ATOM 1282 CA GLU A 81 4.253 7.275 10.207 1.00 0.00 C ATOM 1283 C GLU A 81 3.106 6.390 10.684 1.00 0.00 C ATOM 1284 O GLU A 81 3.280 5.552 11.569 1.00 0.00 O ATOM 1285 CB GLU A 81 5.323 7.374 11.297 1.00 0.00 C ATOM 1286 CG GLU A 81 6.613 6.650 10.951 1.00 0.00 C ATOM 1287 CD GLU A 81 7.321 6.103 12.175 1.00 0.00 C ATOM 1288 OE1 GLU A 81 6.628 5.709 13.136 1.00 0.00 O ATOM 1289 OE2 GLU A 81 8.570 6.067 12.171 1.00 0.00 O ATOM 0 H GLU A 81 3.877 8.839 8.861 1.00 0.00 H new ATOM 0 HA GLU A 81 4.691 6.823 9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.545 8.425 11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.924 6.964 12.225 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.393 5.831 10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.280 7.334 10.426 1.00 0.00 H new ATOM 1296 N ASP A 82 1.932 6.583 10.092 1.00 0.00 N ATOM 1297 CA ASP A 82 0.755 5.803 10.455 1.00 0.00 C ATOM 1298 C ASP A 82 0.953 4.329 10.115 1.00 0.00 C ATOM 1299 O ASP A 82 2.006 3.932 9.613 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.483 6.343 9.737 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.472 6.984 10.691 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -1.027 7.684 11.624 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -2.691 6.785 10.504 1.00 0.00 O ATOM 0 H ASP A 82 1.771 7.273 9.359 1.00 0.00 H new ATOM 0 HA ASP A 82 0.609 5.892 11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.176 7.075 8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.973 5.529 9.203 1.00 0.00 H new ATOM 1308 N THR A 83 -0.065 3.521 10.392 1.00 0.00 N ATOM 1309 CA THR A 83 -0.002 2.091 10.117 1.00 0.00 C ATOM 1310 C THR A 83 -1.350 1.562 9.641 1.00 0.00 C ATOM 1311 O THR A 83 -2.320 1.537 10.400 1.00 0.00 O ATOM 1312 CB THR A 83 0.437 1.298 11.363 1.00 0.00 C ATOM 1313 OG1 THR A 83 1.549 1.946 11.989 1.00 0.00 O ATOM 1314 CG2 THR A 83 0.817 -0.127 10.991 1.00 0.00 C ATOM 0 H THR A 83 -0.943 3.832 10.807 1.00 0.00 H new ATOM 0 HA THR A 83 0.738 1.954 9.328 1.00 0.00 H new ATOM 0 HB THR A 83 -0.401 1.263 12.059 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.821 1.437 12.781 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.123 -0.667 11.887 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.041 -0.627 10.541 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.641 -0.109 10.278 1.00 0.00 H new ATOM 1322 N ILE A 84 -1.405 1.141 8.382 1.00 0.00 N ATOM 1323 CA ILE A 84 -2.635 0.612 7.807 1.00 0.00 C ATOM 1324 C ILE A 84 -2.600 -0.912 7.742 1.00 0.00 C ATOM 1325 O ILE A 84 -1.711 -1.497 7.123 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.880 1.169 6.392 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.700 2.688 6.381 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -4.273 0.792 5.909 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.923 3.313 5.021 1.00 0.00 C ATOM 0 H ILE A 84 -0.612 1.156 7.741 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.450 0.927 8.459 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.149 0.730 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.393 3.133 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.693 2.929 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.432 1.193 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.368 -0.294 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.018 1.207 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.779 4.391 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.212 2.896 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.939 3.103 4.686 1.00 0.00 H new ATOM 1341 N ASP A 85 -3.574 -1.548 8.384 1.00 0.00 N ATOM 1342 CA ASP A 85 -3.657 -3.004 8.397 1.00 0.00 C ATOM 1343 C ASP A 85 -3.910 -3.546 6.994 1.00 0.00 C ATOM 1344 O ASP A 85 -4.886 -3.177 6.341 1.00 0.00 O ATOM 1345 CB ASP A 85 -4.767 -3.464 9.343 1.00 0.00 C ATOM 1346 CG ASP A 85 -4.398 -4.725 10.099 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -3.307 -4.756 10.706 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -5.201 -5.681 10.084 1.00 0.00 O ATOM 0 H ASP A 85 -4.317 -1.078 8.902 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.703 -3.395 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.987 -2.668 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.678 -3.640 8.771 1.00 0.00 H new ATOM 1353 N VAL A 86 -3.023 -4.424 6.536 1.00 0.00 N ATOM 1354 CA VAL A 86 -3.150 -5.018 5.210 1.00 0.00 C ATOM 1355 C VAL A 86 -3.600 -6.472 5.300 1.00 0.00 C ATOM 1356 O VAL A 86 -3.191 -7.205 6.201 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.821 -4.950 4.435 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.904 -6.091 4.847 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.077 -4.976 2.936 1.00 0.00 C ATOM 0 H VAL A 86 -2.209 -4.740 7.063 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.904 -4.440 4.675 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.325 -4.011 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.030 -6.027 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.695 -6.022 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.389 -7.043 4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.127 -4.927 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.594 -5.898 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.693 -4.121 2.657 1.00 0.00 H new ATOM 1369 N PHE A 87 -4.444 -6.884 4.360 1.00 0.00 N ATOM 1370 CA PHE A 87 -4.950 -8.251 4.332 1.00 0.00 C ATOM 1371 C PHE A 87 -4.089 -9.132 3.433 1.00 0.00 C ATOM 1372 O PHE A 87 -3.999 -8.904 2.227 1.00 0.00 O ATOM 1373 CB PHE A 87 -6.401 -8.270 3.846 1.00 0.00 C ATOM 1374 CG PHE A 87 -7.116 -9.557 4.145 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -6.747 -10.733 3.511 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -8.156 -9.591 5.059 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -7.404 -11.918 3.783 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -8.817 -10.773 5.336 1.00 0.00 C ATOM 1379 CZ PHE A 87 -8.439 -11.939 4.698 1.00 0.00 C ATOM 0 H PHE A 87 -4.792 -6.290 3.607 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.908 -8.648 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.942 -7.446 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.418 -8.096 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.937 -10.723 2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.454 -8.683 5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.109 -12.827 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.627 -10.785 6.050 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.952 -12.865 4.914 1.00 0.00 H new ATOM 1389 N GLN A 88 -3.457 -10.138 4.030 1.00 0.00 N ATOM 1390 CA GLN A 88 -2.601 -11.052 3.283 1.00 0.00 C ATOM 1391 C GLN A 88 -2.506 -12.403 3.984 1.00 0.00 C ATOM 1392 O GLN A 88 -2.031 -12.493 5.116 1.00 0.00 O ATOM 1393 CB GLN A 88 -1.204 -10.453 3.112 1.00 0.00 C ATOM 1394 CG GLN A 88 -1.045 -9.633 1.842 1.00 0.00 C ATOM 1395 CD GLN A 88 0.404 -9.477 1.426 1.00 0.00 C ATOM 1396 OE1 GLN A 88 1.233 -8.988 2.194 1.00 0.00 O ATOM 1397 NE2 GLN A 88 0.718 -9.893 0.205 1.00 0.00 N ATOM 0 H GLN A 88 -3.522 -10.340 5.028 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.045 -11.204 2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.980 -9.822 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.470 -11.259 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.602 -10.109 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.484 -8.647 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.001 -10.292 -0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.678 -9.813 -0.130 1.00 0.00 H new ATOM 1406 N GLN A 89 -2.960 -13.451 3.304 1.00 0.00 N ATOM 1407 CA GLN A 89 -2.926 -14.797 3.863 1.00 0.00 C ATOM 1408 C GLN A 89 -1.720 -15.573 3.343 1.00 0.00 C ATOM 1409 O GLN A 89 -1.870 -16.561 2.626 1.00 0.00 O ATOM 1410 CB GLN A 89 -4.215 -15.547 3.522 1.00 0.00 C ATOM 1411 CG GLN A 89 -4.562 -16.644 4.516 1.00 0.00 C ATOM 1412 CD GLN A 89 -5.374 -17.762 3.891 1.00 0.00 C ATOM 1413 OE1 GLN A 89 -5.534 -17.821 2.671 1.00 0.00 O ATOM 1414 NE2 GLN A 89 -5.891 -18.656 4.725 1.00 0.00 N ATOM 0 H GLN A 89 -3.356 -13.394 2.366 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.840 -14.710 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.039 -14.835 3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.118 -15.985 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.643 -17.056 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.122 -16.213 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.733 -18.568 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.446 -19.431 4.362 1.00 0.00 H new ATOM 1423 N GLN A 90 -0.527 -15.117 3.709 1.00 0.00 N ATOM 1424 CA GLN A 90 0.704 -15.768 3.278 1.00 0.00 C ATOM 1425 C GLN A 90 0.958 -17.039 4.082 1.00 0.00 C ATOM 1426 O GLN A 90 0.125 -17.454 4.888 1.00 0.00 O ATOM 1427 CB GLN A 90 1.890 -14.813 3.424 1.00 0.00 C ATOM 1428 CG GLN A 90 1.742 -13.531 2.620 1.00 0.00 C ATOM 1429 CD GLN A 90 2.824 -12.517 2.933 1.00 0.00 C ATOM 1430 OE1 GLN A 90 4.009 -12.848 2.971 1.00 0.00 O ATOM 1431 NE2 GLN A 90 2.421 -11.272 3.159 1.00 0.00 N ATOM 0 H GLN A 90 -0.387 -14.300 4.303 1.00 0.00 H new ATOM 0 HA GLN A 90 0.593 -16.040 2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.014 -14.559 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 90 2.799 -15.326 3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.769 -13.769 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.766 -13.090 2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.428 -11.042 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.104 -10.546 3.374 1.00 0.00 H new ATOM 1440 N THR A 91 2.115 -17.655 3.856 1.00 0.00 N ATOM 1441 CA THR A 91 2.478 -18.880 4.557 1.00 0.00 C ATOM 1442 C THR A 91 3.353 -18.581 5.769 1.00 0.00 C ATOM 1443 O THR A 91 4.121 -19.430 6.218 1.00 0.00 O ATOM 1444 CB THR A 91 3.223 -19.859 3.630 1.00 0.00 C ATOM 1445 OG1 THR A 91 4.405 -19.239 3.112 1.00 0.00 O ATOM 1446 CG2 THR A 91 2.330 -20.301 2.481 1.00 0.00 C ATOM 0 H THR A 91 2.816 -17.325 3.193 1.00 0.00 H new ATOM 0 HA THR A 91 1.548 -19.342 4.888 1.00 0.00 H new ATOM 0 HB THR A 91 3.500 -20.738 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.874 -19.868 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.877 -20.992 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.445 -20.798 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.026 -19.430 1.900 1.00 0.00 H new ATOM 1454 N GLY A 92 3.231 -17.366 6.296 1.00 0.00 N ATOM 1455 CA GLY A 92 4.016 -16.977 7.453 1.00 0.00 C ATOM 1456 C GLY A 92 3.171 -16.349 8.543 1.00 0.00 C ATOM 1457 O GLY A 92 1.945 -16.313 8.445 1.00 0.00 O ATOM 0 H GLY A 92 2.603 -16.645 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.527 -17.853 7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.788 -16.272 7.144 1.00 0.00 H new ATOM 1461 N GLY A 93 3.828 -15.854 9.588 1.00 0.00 N ATOM 1462 CA GLY A 93 3.113 -15.233 10.688 1.00 0.00 C ATOM 1463 C GLY A 93 4.024 -14.422 11.587 1.00 0.00 C ATOM 1464 O GLY A 93 4.304 -14.817 12.719 1.00 0.00 O ATOM 0 H GLY A 93 4.842 -15.872 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.331 -14.586 10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.619 -16.005 11.278 1.00 0.00 H new ATOM 1468 N VAL A 94 4.490 -13.283 11.083 1.00 0.00 N ATOM 1469 CA VAL A 94 5.375 -12.414 11.849 1.00 0.00 C ATOM 1470 C VAL A 94 4.751 -11.038 12.054 1.00 0.00 C ATOM 1471 O VAL A 94 5.158 -10.060 11.426 1.00 0.00 O ATOM 1472 CB VAL A 94 6.739 -12.248 11.152 1.00 0.00 C ATOM 1473 CG1 VAL A 94 7.577 -13.507 11.314 1.00 0.00 C ATOM 1474 CG2 VAL A 94 6.548 -11.910 9.681 1.00 0.00 C ATOM 0 H VAL A 94 4.269 -12.941 10.148 1.00 0.00 H new ATOM 0 HA VAL A 94 5.526 -12.890 12.818 1.00 0.00 H new ATOM 0 HB VAL A 94 7.271 -11.422 11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.537 -13.372 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.743 -13.700 12.374 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.053 -14.353 10.869 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.522 -11.796 9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.996 -12.713 9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.989 -10.978 9.591 1.00 0.00 H new ATOM 1484 N TYR A 95 3.762 -10.969 12.938 1.00 0.00 N ATOM 1485 CA TYR A 95 3.080 -9.713 13.225 1.00 0.00 C ATOM 1486 C TYR A 95 3.717 -9.008 14.419 1.00 0.00 C ATOM 1487 O TYR A 95 4.368 -9.639 15.250 1.00 0.00 O ATOM 1488 CB TYR A 95 1.597 -9.965 13.501 1.00 0.00 C ATOM 1489 CG TYR A 95 1.344 -10.810 14.729 1.00 0.00 C ATOM 1490 CD1 TYR A 95 1.290 -12.196 14.644 1.00 0.00 C ATOM 1491 CD2 TYR A 95 1.157 -10.223 15.974 1.00 0.00 C ATOM 1492 CE1 TYR A 95 1.059 -12.972 15.763 1.00 0.00 C ATOM 1493 CE2 TYR A 95 0.927 -10.991 17.099 1.00 0.00 C ATOM 1494 CZ TYR A 95 0.878 -12.365 16.988 1.00 0.00 C ATOM 1495 OH TYR A 95 0.647 -13.134 18.106 1.00 0.00 O ATOM 0 H TYR A 95 3.415 -11.768 13.468 1.00 0.00 H new ATOM 0 HA TYR A 95 3.176 -9.069 12.351 1.00 0.00 H new ATOM 0 HB2 TYR A 95 1.090 -9.007 13.619 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.153 -10.456 12.635 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.431 -12.675 13.686 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.192 -9.147 16.064 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.020 -14.048 15.679 1.00 0.00 H new ATOM 0 HE2 TYR A 95 0.786 -10.518 18.060 1.00 0.00 H new ATOM 0 HH TYR A 95 0.542 -12.552 18.887 1.00 0.00 H new TER 1505 TYR A 95