USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 966 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 23 SER OG : rot -110:sc= 0.0573 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -169:sc= 0.0544 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.00553 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 18:sc= -22.5! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.39) USER MOD Single : A 42 THR OG1 : rot -172:sc= -3.65! USER MOD Single : A 46 SER OG : rot 130:sc= -3.57! USER MOD Single : A 49 THR OG1 : rot 98:sc= -0.393! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -57:sc= 0.877 USER MOD Single : A 76 GLN : amide:sc= -0.867 K(o=-0.87,f=-4.2!) USER MOD Single : A 77 GLN : amide:sc= -5.15! C(o=-5.2!,f=-6.3!) USER MOD Single : A 82 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -93:sc= -2.01! USER MOD Single : A 85 MET CE :methyl 180:sc= -5.93! (180deg=-5.93!) USER MOD Single : A 89 SER OG : rot -81:sc= 0.0969! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.7!) USER MOD Single : A 95 GLN : amide:sc= -4.06 K(o=-4.1,f=-10!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -46:sc= 0.589 USER MOD Single : A 99 SER OG : rot 80:sc= 0.512 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -139:sc= 0.376 USER MOD Single : A 109 SER OG : rot -21:sc= 0.761 USER MOD Single : A 112 TYR OH : rot 60:sc= -1.29! USER MOD Single : A 116 LYS NZ :NH3+ -151:sc= 0.225 (180deg=-0.348) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.140 -21.549 -7.814 1.00 0.00 N ATOM 2 CA MET A 1 -19.072 -20.830 -8.566 1.00 0.00 C ATOM 3 C MET A 1 -19.221 -19.323 -8.348 1.00 0.00 C ATOM 4 O MET A 1 -20.283 -18.837 -8.007 1.00 0.00 O ATOM 5 CB MET A 1 -19.197 -21.145 -10.057 1.00 0.00 C ATOM 6 CG MET A 1 -17.804 -21.334 -10.658 1.00 0.00 C ATOM 7 SD MET A 1 -17.938 -22.235 -12.223 1.00 0.00 S ATOM 8 CE MET A 1 -17.431 -20.878 -13.309 1.00 0.00 C ATOM 0 H1 MET A 1 -20.215 -22.525 -8.165 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.903 -21.562 -6.802 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.049 -21.062 -7.950 1.00 0.00 H new ATOM 0 HA MET A 1 -18.095 -21.154 -8.208 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.792 -22.047 -10.200 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.718 -20.335 -10.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.333 -20.365 -10.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.168 -21.883 -9.963 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.442 -21.217 -14.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.121 -20.042 -13.194 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.424 -20.556 -13.043 1.00 0.00 H new ATOM 20 N ASN A 2 -18.168 -18.579 -8.543 1.00 0.00 N ATOM 21 CA ASN A 2 -18.251 -17.104 -8.347 1.00 0.00 C ATOM 22 C ASN A 2 -17.051 -16.432 -9.018 1.00 0.00 C ATOM 23 O ASN A 2 -16.491 -15.484 -8.504 1.00 0.00 O ATOM 24 CB ASN A 2 -18.243 -16.786 -6.851 1.00 0.00 C ATOM 25 CG ASN A 2 -19.642 -17.010 -6.273 1.00 0.00 C ATOM 26 OD1 ASN A 2 -20.605 -16.444 -6.751 1.00 0.00 O ATOM 27 ND2 ASN A 2 -19.794 -17.816 -5.258 1.00 0.00 N ATOM 0 H ASN A 2 -17.253 -18.928 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 2 -19.173 -16.730 -8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -17.520 -17.420 -6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -17.932 -15.754 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -20.722 -17.972 -4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -18.985 -18.290 -4.858 1.00 0.00 H new ATOM 34 N GLY A 3 -16.652 -16.914 -10.163 1.00 0.00 N ATOM 35 CA GLY A 3 -15.489 -16.302 -10.864 1.00 0.00 C ATOM 36 C GLY A 3 -14.216 -17.077 -10.518 1.00 0.00 C ATOM 37 O GLY A 3 -14.125 -17.709 -9.485 1.00 0.00 O ATOM 0 H GLY A 3 -17.081 -17.705 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -15.653 -16.315 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -15.383 -15.258 -10.570 1.00 0.00 H new ATOM 41 N GLU A 4 -13.233 -17.034 -11.375 1.00 0.00 N ATOM 42 CA GLU A 4 -11.967 -17.769 -11.093 1.00 0.00 C ATOM 43 C GLU A 4 -10.799 -16.782 -11.062 1.00 0.00 C ATOM 44 O GLU A 4 -9.647 -17.167 -11.068 1.00 0.00 O ATOM 45 CB GLU A 4 -11.726 -18.809 -12.191 1.00 0.00 C ATOM 46 CG GLU A 4 -11.294 -20.132 -11.556 1.00 0.00 C ATOM 47 CD GLU A 4 -12.486 -21.091 -11.512 1.00 0.00 C ATOM 48 OE1 GLU A 4 -13.460 -20.764 -10.856 1.00 0.00 O ATOM 49 OE2 GLU A 4 -12.402 -22.135 -12.138 1.00 0.00 O ATOM 0 H GLU A 4 -13.251 -16.522 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.045 -18.269 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.635 -18.954 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.958 -18.456 -12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.479 -20.574 -12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.917 -19.958 -10.548 1.00 0.00 H new ATOM 56 N VAL A 5 -11.087 -15.509 -11.028 1.00 0.00 N ATOM 57 CA VAL A 5 -9.992 -14.499 -10.996 1.00 0.00 C ATOM 58 C VAL A 5 -10.542 -13.167 -10.482 1.00 0.00 C ATOM 59 O VAL A 5 -11.659 -12.789 -10.778 1.00 0.00 O ATOM 60 CB VAL A 5 -9.432 -14.309 -12.407 1.00 0.00 C ATOM 61 CG1 VAL A 5 -8.372 -15.375 -12.683 1.00 0.00 C ATOM 62 CG2 VAL A 5 -10.566 -14.443 -13.427 1.00 0.00 C ATOM 0 H VAL A 5 -12.032 -15.126 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.198 -14.844 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.982 -13.319 -12.489 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.973 -15.240 -13.688 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.565 -15.282 -11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.821 -16.365 -12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.168 -14.308 -14.433 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.015 -15.433 -13.344 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.323 -13.684 -13.231 1.00 0.00 H new ATOM 72 N ALA A 6 -9.767 -12.452 -9.714 1.00 0.00 N ATOM 73 CA ALA A 6 -10.245 -11.144 -9.183 1.00 0.00 C ATOM 74 C ALA A 6 -11.671 -11.302 -8.643 1.00 0.00 C ATOM 75 O ALA A 6 -12.627 -11.153 -9.376 1.00 0.00 O ATOM 76 CB ALA A 6 -10.237 -10.104 -10.305 1.00 0.00 C ATOM 0 H ALA A 6 -8.823 -12.717 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.586 -10.816 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.587 -9.147 -9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.223 -9.991 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.896 -10.432 -11.109 1.00 0.00 H new ATOM 82 N PRO A 7 -11.768 -11.603 -7.371 1.00 0.00 N ATOM 83 CA PRO A 7 -13.057 -11.784 -6.717 1.00 0.00 C ATOM 84 C PRO A 7 -13.773 -10.437 -6.568 1.00 0.00 C ATOM 85 O PRO A 7 -13.194 -9.400 -6.826 1.00 0.00 O ATOM 86 CB PRO A 7 -12.711 -12.368 -5.350 1.00 0.00 C ATOM 87 CG PRO A 7 -11.252 -11.875 -5.099 1.00 0.00 C ATOM 88 CD PRO A 7 -10.592 -11.778 -6.503 1.00 0.00 C ATOM 0 HA PRO A 7 -13.728 -12.430 -7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.393 -12.012 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.772 -13.456 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.247 -10.908 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.709 -12.570 -4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.901 -10.938 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.028 -12.676 -6.754 1.00 0.00 H new ATOM 96 N PRO A 8 -15.015 -10.493 -6.154 1.00 0.00 N ATOM 97 CA PRO A 8 -15.820 -9.295 -5.965 1.00 0.00 C ATOM 98 C PRO A 8 -15.300 -8.493 -4.769 1.00 0.00 C ATOM 99 O PRO A 8 -14.290 -8.826 -4.179 1.00 0.00 O ATOM 100 CB PRO A 8 -17.229 -9.817 -5.700 1.00 0.00 C ATOM 101 CG PRO A 8 -16.987 -11.255 -5.146 1.00 0.00 C ATOM 102 CD PRO A 8 -15.695 -11.762 -5.846 1.00 0.00 C ATOM 0 HA PRO A 8 -15.788 -8.626 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.759 -9.194 -4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.829 -9.833 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.866 -11.242 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.833 -11.907 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.098 -12.400 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.914 -12.339 -6.744 1.00 0.00 H new ATOM 110 N LYS A 9 -15.976 -7.437 -4.409 1.00 0.00 N ATOM 111 CA LYS A 9 -15.513 -6.615 -3.256 1.00 0.00 C ATOM 112 C LYS A 9 -14.125 -6.052 -3.568 1.00 0.00 C ATOM 113 O LYS A 9 -13.207 -6.780 -3.885 1.00 0.00 O ATOM 114 CB LYS A 9 -15.441 -7.487 -2.001 1.00 0.00 C ATOM 115 CG LYS A 9 -16.310 -6.874 -0.901 1.00 0.00 C ATOM 116 CD LYS A 9 -17.771 -6.853 -1.356 1.00 0.00 C ATOM 117 CE LYS A 9 -18.427 -5.544 -0.912 1.00 0.00 C ATOM 118 NZ LYS A 9 -19.862 -5.546 -1.314 1.00 0.00 N ATOM 0 H LYS A 9 -16.828 -7.108 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.212 -5.796 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.782 -8.497 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.409 -7.568 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.213 -7.452 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.973 -5.862 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.826 -6.950 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.307 -7.702 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.341 -5.430 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.913 -4.696 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.308 -4.656 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.933 -5.636 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.348 -6.347 -0.863 1.00 0.00 H new ATOM 132 N GLU A 10 -13.965 -4.759 -3.486 1.00 0.00 N ATOM 133 CA GLU A 10 -12.636 -4.158 -3.788 1.00 0.00 C ATOM 134 C GLU A 10 -11.990 -3.655 -2.496 1.00 0.00 C ATOM 135 O GLU A 10 -11.762 -2.474 -2.325 1.00 0.00 O ATOM 136 CB GLU A 10 -12.813 -2.986 -4.755 1.00 0.00 C ATOM 137 CG GLU A 10 -14.141 -2.281 -4.468 1.00 0.00 C ATOM 138 CD GLU A 10 -14.147 -0.909 -5.144 1.00 0.00 C ATOM 139 OE1 GLU A 10 -13.176 -0.595 -5.811 1.00 0.00 O ATOM 140 OE2 GLU A 10 -15.124 -0.197 -4.983 1.00 0.00 O ATOM 0 H GLU A 10 -14.694 -4.096 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.996 -4.914 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.986 -2.284 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.795 -3.344 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.972 -2.883 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.281 -2.169 -3.393 1.00 0.00 H new ATOM 147 N ASP A 11 -11.684 -4.540 -1.586 1.00 0.00 N ATOM 148 CA ASP A 11 -11.043 -4.103 -0.314 1.00 0.00 C ATOM 149 C ASP A 11 -9.870 -5.032 0.012 1.00 0.00 C ATOM 150 O ASP A 11 -9.873 -5.700 1.027 1.00 0.00 O ATOM 151 CB ASP A 11 -12.069 -4.149 0.820 1.00 0.00 C ATOM 152 CG ASP A 11 -12.328 -2.732 1.332 1.00 0.00 C ATOM 153 OD1 ASP A 11 -12.569 -1.860 0.512 1.00 0.00 O ATOM 154 OD2 ASP A 11 -12.281 -2.541 2.537 1.00 0.00 O ATOM 0 H ASP A 11 -11.850 -5.543 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.676 -3.083 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.999 -4.594 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.703 -4.779 1.631 1.00 0.00 H new ATOM 159 N PRO A 12 -8.900 -5.044 -0.868 1.00 0.00 N ATOM 160 CA PRO A 12 -7.720 -5.873 -0.705 1.00 0.00 C ATOM 161 C PRO A 12 -6.738 -5.205 0.262 1.00 0.00 C ATOM 162 O PRO A 12 -6.397 -5.748 1.294 1.00 0.00 O ATOM 163 CB PRO A 12 -7.124 -5.957 -2.104 1.00 0.00 C ATOM 164 CG PRO A 12 -7.614 -4.648 -2.805 1.00 0.00 C ATOM 165 CD PRO A 12 -8.932 -4.225 -2.087 1.00 0.00 C ATOM 0 HA PRO A 12 -7.947 -6.856 -0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.036 -6.009 -2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.470 -6.846 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.862 -3.863 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.789 -4.819 -3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.948 -3.159 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.812 -4.435 -2.695 1.00 0.00 H new ATOM 173 N VAL A 13 -6.286 -4.026 -0.068 1.00 0.00 N ATOM 174 CA VAL A 13 -5.332 -3.310 0.823 1.00 0.00 C ATOM 175 C VAL A 13 -5.591 -1.806 0.726 1.00 0.00 C ATOM 176 O VAL A 13 -4.730 -1.058 0.311 1.00 0.00 O ATOM 177 CB VAL A 13 -3.900 -3.612 0.382 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.916 -2.963 1.358 1.00 0.00 C ATOM 179 CG2 VAL A 13 -3.679 -5.126 0.367 1.00 0.00 C ATOM 0 H VAL A 13 -6.538 -3.526 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.469 -3.640 1.853 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.737 -3.211 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.895 -3.179 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.072 -1.884 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.079 -3.363 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.658 -5.342 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.843 -5.528 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.378 -5.589 -0.329 1.00 0.00 H new ATOM 189 N PRO A 14 -6.775 -1.407 1.110 1.00 0.00 N ATOM 190 CA PRO A 14 -7.164 -0.008 1.066 1.00 0.00 C ATOM 191 C PRO A 14 -6.073 0.859 1.688 1.00 0.00 C ATOM 192 O PRO A 14 -5.614 0.600 2.783 1.00 0.00 O ATOM 193 CB PRO A 14 -8.445 0.058 1.888 1.00 0.00 C ATOM 194 CG PRO A 14 -9.029 -1.385 1.769 1.00 0.00 C ATOM 195 CD PRO A 14 -7.800 -2.328 1.626 1.00 0.00 C ATOM 0 HA PRO A 14 -7.311 0.358 0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.243 0.325 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.136 0.804 1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.619 -1.642 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.690 -1.470 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.510 -2.770 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.994 -3.151 0.939 1.00 0.00 H new ATOM 203 N LEU A 15 -5.651 1.890 1.004 1.00 0.00 N ATOM 204 CA LEU A 15 -4.592 2.763 1.575 1.00 0.00 C ATOM 205 C LEU A 15 -5.120 4.190 1.778 1.00 0.00 C ATOM 206 O LEU A 15 -4.505 5.138 1.343 1.00 0.00 O ATOM 207 CB LEU A 15 -3.385 2.787 0.640 1.00 0.00 C ATOM 208 CG LEU A 15 -2.680 1.432 0.704 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.002 1.139 -0.632 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.627 1.458 1.812 1.00 0.00 C ATOM 0 H LEU A 15 -5.993 2.161 0.082 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.294 2.362 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.704 2.998 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.699 3.583 0.931 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.414 0.654 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.501 0.172 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.751 1.118 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.269 1.917 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.124 0.492 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.896 2.238 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.110 1.662 2.768 1.00 0.00 H new ATOM 222 N PRO A 16 -6.232 4.300 2.461 1.00 0.00 N ATOM 223 CA PRO A 16 -6.828 5.583 2.774 1.00 0.00 C ATOM 224 C PRO A 16 -5.741 6.637 3.017 1.00 0.00 C ATOM 225 O PRO A 16 -5.818 7.739 2.512 1.00 0.00 O ATOM 226 CB PRO A 16 -7.636 5.315 4.034 1.00 0.00 C ATOM 227 CG PRO A 16 -7.997 3.792 3.939 1.00 0.00 C ATOM 228 CD PRO A 16 -6.973 3.140 2.956 1.00 0.00 C ATOM 0 HA PRO A 16 -7.445 5.975 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.058 5.533 4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.531 5.935 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.943 3.321 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.017 3.659 3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.322 2.427 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.470 2.601 2.150 1.00 0.00 H new ATOM 236 N GLU A 17 -4.724 6.309 3.771 1.00 0.00 N ATOM 237 CA GLU A 17 -3.639 7.304 4.015 1.00 0.00 C ATOM 238 C GLU A 17 -3.267 7.941 2.676 1.00 0.00 C ATOM 239 O GLU A 17 -3.334 9.142 2.503 1.00 0.00 O ATOM 240 CB GLU A 17 -2.418 6.596 4.606 1.00 0.00 C ATOM 241 CG GLU A 17 -1.401 7.638 5.079 1.00 0.00 C ATOM 242 CD GLU A 17 -0.602 7.073 6.255 1.00 0.00 C ATOM 243 OE1 GLU A 17 -0.920 5.980 6.691 1.00 0.00 O ATOM 244 OE2 GLU A 17 0.316 7.745 6.698 1.00 0.00 O ATOM 0 H GLU A 17 -4.598 5.404 4.224 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.976 8.068 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.720 5.963 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.966 5.944 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.729 7.903 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.913 8.552 5.379 1.00 0.00 H new ATOM 251 N LEU A 18 -2.898 7.134 1.722 1.00 0.00 N ATOM 252 CA LEU A 18 -2.540 7.663 0.378 1.00 0.00 C ATOM 253 C LEU A 18 -3.815 7.733 -0.476 1.00 0.00 C ATOM 254 O LEU A 18 -4.402 6.714 -0.779 1.00 0.00 O ATOM 255 CB LEU A 18 -1.551 6.705 -0.287 1.00 0.00 C ATOM 256 CG LEU A 18 -0.287 7.464 -0.686 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.912 6.898 0.075 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.059 7.303 -2.188 1.00 0.00 C ATOM 0 H LEU A 18 -2.829 6.121 1.817 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.092 8.652 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.299 5.895 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.006 6.250 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.402 8.520 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.813 7.440 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.747 7.007 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.032 5.842 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.842 7.843 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.058 6.246 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.914 7.705 -2.731 1.00 0.00 H new ATOM 270 N PRO A 19 -4.215 8.930 -0.833 1.00 0.00 N ATOM 271 CA PRO A 19 -5.416 9.127 -1.635 1.00 0.00 C ATOM 272 C PRO A 19 -5.201 8.613 -3.061 1.00 0.00 C ATOM 273 O PRO A 19 -4.092 8.331 -3.471 1.00 0.00 O ATOM 274 CB PRO A 19 -5.638 10.635 -1.628 1.00 0.00 C ATOM 275 CG PRO A 19 -4.213 11.213 -1.358 1.00 0.00 C ATOM 276 CD PRO A 19 -3.498 10.159 -0.467 1.00 0.00 C ATOM 0 HA PRO A 19 -6.274 8.583 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.040 10.986 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.345 10.933 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.671 11.371 -2.290 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.270 12.178 -0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.432 10.092 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.592 10.388 0.595 1.00 0.00 H new ATOM 284 N CYS A 20 -6.258 8.481 -3.814 1.00 0.00 N ATOM 285 CA CYS A 20 -6.123 7.976 -5.208 1.00 0.00 C ATOM 286 C CYS A 20 -6.452 9.091 -6.206 1.00 0.00 C ATOM 287 O CYS A 20 -5.571 9.738 -6.737 1.00 0.00 O ATOM 288 CB CYS A 20 -7.081 6.803 -5.413 1.00 0.00 C ATOM 289 SG CYS A 20 -6.136 5.339 -5.898 1.00 0.00 S ATOM 0 H CYS A 20 -7.210 8.702 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.097 7.647 -5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.634 6.605 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.815 7.047 -6.181 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.884 5.510 -5.592 1.00 0.00 H new ATOM 295 N GLU A 21 -7.709 9.320 -6.473 1.00 0.00 N ATOM 296 CA GLU A 21 -8.081 10.390 -7.442 1.00 0.00 C ATOM 297 C GLU A 21 -8.613 11.607 -6.686 1.00 0.00 C ATOM 298 O GLU A 21 -9.539 12.263 -7.120 1.00 0.00 O ATOM 299 CB GLU A 21 -9.162 9.867 -8.393 1.00 0.00 C ATOM 300 CG GLU A 21 -8.569 9.691 -9.793 1.00 0.00 C ATOM 301 CD GLU A 21 -9.699 9.546 -10.812 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.833 9.819 -10.453 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.413 9.162 -11.934 1.00 0.00 O ATOM 0 H GLU A 21 -8.493 8.813 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.200 10.678 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.552 8.916 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.000 10.563 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.945 10.549 -10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.927 8.811 -9.819 1.00 0.00 H new ATOM 310 N LYS A 22 -8.036 11.916 -5.558 1.00 0.00 N ATOM 311 CA LYS A 22 -8.513 13.092 -4.779 1.00 0.00 C ATOM 312 C LYS A 22 -10.021 12.972 -4.564 1.00 0.00 C ATOM 313 O LYS A 22 -10.702 13.943 -4.306 1.00 0.00 O ATOM 314 CB LYS A 22 -8.207 14.375 -5.554 1.00 0.00 C ATOM 315 CG LYS A 22 -7.295 15.273 -4.716 1.00 0.00 C ATOM 316 CD LYS A 22 -5.959 15.459 -5.437 1.00 0.00 C ATOM 317 CE LYS A 22 -5.128 16.518 -4.711 1.00 0.00 C ATOM 318 NZ LYS A 22 -3.708 16.426 -5.157 1.00 0.00 N ATOM 0 H LYS A 22 -7.256 11.406 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.007 13.124 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.726 14.134 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.133 14.899 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.770 16.240 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.132 14.828 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.416 14.514 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.131 15.762 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.523 17.512 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.192 16.370 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.142 17.146 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.335 15.481 -4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.655 16.587 -6.183 1.00 0.00 H new ATOM 332 N SER A 23 -10.545 11.783 -4.669 1.00 0.00 N ATOM 333 CA SER A 23 -12.010 11.594 -4.474 1.00 0.00 C ATOM 334 C SER A 23 -12.250 10.762 -3.216 1.00 0.00 C ATOM 335 O SER A 23 -11.428 10.719 -2.321 1.00 0.00 O ATOM 336 CB SER A 23 -12.597 10.867 -5.684 1.00 0.00 C ATOM 337 OG SER A 23 -13.780 11.535 -6.104 1.00 0.00 O ATOM 0 H SER A 23 -10.022 10.933 -4.881 1.00 0.00 H new ATOM 0 HA SER A 23 -12.491 12.566 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.871 10.844 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.822 9.832 -5.427 1.00 0.00 H new ATOM 0 HG SER A 23 -14.560 10.976 -5.905 1.00 0.00 H new ATOM 343 N ASP A 24 -13.366 10.091 -3.142 1.00 0.00 N ATOM 344 CA ASP A 24 -13.650 9.254 -1.945 1.00 0.00 C ATOM 345 C ASP A 24 -12.984 7.888 -2.124 1.00 0.00 C ATOM 346 O ASP A 24 -13.246 6.958 -1.388 1.00 0.00 O ATOM 347 CB ASP A 24 -15.162 9.068 -1.797 1.00 0.00 C ATOM 348 CG ASP A 24 -15.675 8.147 -2.906 1.00 0.00 C ATOM 349 OD1 ASP A 24 -15.971 8.651 -3.977 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.765 6.955 -2.664 1.00 0.00 O ATOM 0 H ASP A 24 -14.092 10.087 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.259 9.743 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.393 8.642 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.665 10.034 -1.850 1.00 0.00 H new ATOM 355 N ALA A 25 -12.125 7.762 -3.100 1.00 0.00 N ATOM 356 CA ALA A 25 -11.445 6.464 -3.332 1.00 0.00 C ATOM 357 C ALA A 25 -10.026 6.525 -2.769 1.00 0.00 C ATOM 358 O ALA A 25 -9.415 7.574 -2.713 1.00 0.00 O ATOM 359 CB ALA A 25 -11.388 6.194 -4.835 1.00 0.00 C ATOM 0 H ALA A 25 -11.867 8.508 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.995 5.665 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.890 5.241 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.401 6.155 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.833 6.993 -5.327 1.00 0.00 H new ATOM 365 N TYR A 26 -9.498 5.411 -2.352 1.00 0.00 N ATOM 366 CA TYR A 26 -8.118 5.402 -1.791 1.00 0.00 C ATOM 367 C TYR A 26 -7.252 4.442 -2.605 1.00 0.00 C ATOM 368 O TYR A 26 -7.611 4.046 -3.695 1.00 0.00 O ATOM 369 CB TYR A 26 -8.147 4.957 -0.325 1.00 0.00 C ATOM 370 CG TYR A 26 -9.456 4.266 -0.011 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.596 2.892 -0.235 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.528 5.004 0.505 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.808 2.255 0.057 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.740 4.369 0.796 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.880 2.994 0.573 1.00 0.00 C ATOM 376 OH TYR A 26 -13.076 2.366 0.860 1.00 0.00 O ATOM 0 H TYR A 26 -9.962 4.503 -2.375 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.701 6.408 -1.843 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.315 4.282 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.019 5.821 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.769 2.323 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.419 6.064 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.916 1.194 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.567 4.939 1.192 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.714 3.022 1.211 1.00 0.00 H new ATOM 386 N PHE A 27 -6.104 4.073 -2.102 1.00 0.00 N ATOM 387 CA PHE A 27 -5.230 3.155 -2.881 1.00 0.00 C ATOM 388 C PHE A 27 -5.250 1.742 -2.285 1.00 0.00 C ATOM 389 O PHE A 27 -4.410 1.375 -1.489 1.00 0.00 O ATOM 390 CB PHE A 27 -3.799 3.692 -2.885 1.00 0.00 C ATOM 391 CG PHE A 27 -3.521 4.331 -4.225 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.868 3.658 -5.403 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.925 5.595 -4.291 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.619 4.249 -6.646 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.674 6.186 -5.536 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.022 5.512 -6.713 1.00 0.00 C ATOM 0 H PHE A 27 -5.739 4.365 -1.196 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.607 3.102 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.667 4.421 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.092 2.883 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.328 2.682 -5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.659 6.115 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.888 3.730 -7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.212 7.161 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.829 5.968 -7.673 1.00 0.00 H new ATOM 406 N VAL A 28 -6.200 0.944 -2.684 1.00 0.00 N ATOM 407 CA VAL A 28 -6.276 -0.458 -2.173 1.00 0.00 C ATOM 408 C VAL A 28 -5.156 -1.293 -2.808 1.00 0.00 C ATOM 409 O VAL A 28 -5.373 -1.990 -3.779 1.00 0.00 O ATOM 410 CB VAL A 28 -7.623 -1.082 -2.558 1.00 0.00 C ATOM 411 CG1 VAL A 28 -8.701 -0.661 -1.562 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.021 -0.625 -3.963 1.00 0.00 C ATOM 0 H VAL A 28 -6.932 1.202 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.171 -0.444 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.526 -2.168 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.653 -1.110 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.424 -0.997 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.796 0.425 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.979 -1.070 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.108 0.461 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.260 -0.940 -4.677 1.00 0.00 H new ATOM 422 N LEU A 29 -3.964 -1.231 -2.272 1.00 0.00 N ATOM 423 CA LEU A 29 -2.842 -2.027 -2.852 1.00 0.00 C ATOM 424 C LEU A 29 -3.340 -3.431 -3.202 1.00 0.00 C ATOM 425 O LEU A 29 -3.393 -4.310 -2.366 1.00 0.00 O ATOM 426 CB LEU A 29 -1.695 -2.125 -1.838 1.00 0.00 C ATOM 427 CG LEU A 29 -0.659 -3.149 -2.315 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.558 -2.418 -2.885 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.222 -4.015 -1.133 1.00 0.00 C ATOM 0 H LEU A 29 -3.720 -0.665 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.480 -1.534 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.224 -1.150 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.085 -2.417 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.099 -3.779 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.294 -3.147 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.249 -1.797 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.999 -1.789 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.515 -4.744 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.219 -3.383 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.088 -4.536 -0.724 1.00 0.00 H new ATOM 441 N ARG A 30 -3.697 -3.651 -4.438 1.00 0.00 N ATOM 442 CA ARG A 30 -4.181 -4.998 -4.846 1.00 0.00 C ATOM 443 C ARG A 30 -3.020 -5.782 -5.460 1.00 0.00 C ATOM 444 O ARG A 30 -1.872 -5.400 -5.343 1.00 0.00 O ATOM 445 CB ARG A 30 -5.300 -4.849 -5.879 1.00 0.00 C ATOM 446 CG ARG A 30 -6.409 -5.860 -5.580 1.00 0.00 C ATOM 447 CD ARG A 30 -7.734 -5.349 -6.148 1.00 0.00 C ATOM 448 NE ARG A 30 -8.841 -6.245 -5.712 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.258 -7.199 -6.500 1.00 0.00 C ATOM 450 NH1 ARG A 30 -8.413 -8.086 -6.954 1.00 0.00 N ATOM 451 NH2 ARG A 30 -10.517 -7.268 -6.833 1.00 0.00 N ATOM 0 H ARG A 30 -3.674 -2.954 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.564 -5.530 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.701 -3.836 -5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.907 -5.011 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.162 -6.827 -6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.497 -6.011 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.920 -4.331 -5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.686 -5.316 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.273 -6.113 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.428 -8.033 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.738 -8.832 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.177 -6.576 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.842 -8.014 -7.449 1.00 0.00 H new ATOM 465 N ASP A 31 -3.304 -6.873 -6.115 1.00 0.00 N ATOM 466 CA ASP A 31 -2.211 -7.672 -6.734 1.00 0.00 C ATOM 467 C ASP A 31 -2.681 -8.219 -8.084 1.00 0.00 C ATOM 468 O ASP A 31 -3.416 -9.182 -8.151 1.00 0.00 O ATOM 469 CB ASP A 31 -1.845 -8.836 -5.811 1.00 0.00 C ATOM 470 CG ASP A 31 -3.045 -9.772 -5.667 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.159 -9.306 -5.842 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.831 -10.940 -5.386 1.00 0.00 O ATOM 0 H ASP A 31 -4.244 -7.245 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.337 -7.038 -6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.992 -9.381 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.546 -8.458 -4.833 1.00 0.00 H new ATOM 477 N GLY A 32 -2.262 -7.609 -9.161 1.00 0.00 N ATOM 478 CA GLY A 32 -2.687 -8.096 -10.503 1.00 0.00 C ATOM 479 C GLY A 32 -2.178 -9.522 -10.716 1.00 0.00 C ATOM 480 O GLY A 32 -1.842 -10.218 -9.779 1.00 0.00 O ATOM 0 H GLY A 32 -1.645 -6.797 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.774 -8.071 -10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.296 -7.439 -11.280 1.00 0.00 H new ATOM 484 N ALA A 33 -2.117 -9.965 -11.943 1.00 0.00 N ATOM 485 CA ALA A 33 -1.629 -11.346 -12.214 1.00 0.00 C ATOM 486 C ALA A 33 -0.194 -11.286 -12.740 1.00 0.00 C ATOM 487 O ALA A 33 0.246 -12.151 -13.471 1.00 0.00 O ATOM 488 CB ALA A 33 -2.527 -12.008 -13.260 1.00 0.00 C ATOM 0 H ALA A 33 -2.384 -9.429 -12.769 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.654 -11.927 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.170 -13.019 -13.459 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.550 -12.051 -12.886 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.502 -11.427 -14.182 1.00 0.00 H new ATOM 494 N ALA A 34 0.540 -10.272 -12.375 1.00 0.00 N ATOM 495 CA ALA A 34 1.946 -10.158 -12.856 1.00 0.00 C ATOM 496 C ALA A 34 2.796 -9.459 -11.793 1.00 0.00 C ATOM 497 O ALA A 34 3.931 -9.821 -11.555 1.00 0.00 O ATOM 498 CB ALA A 34 1.978 -9.345 -14.151 1.00 0.00 C ATOM 0 H ALA A 34 0.227 -9.517 -11.764 1.00 0.00 H new ATOM 0 HA ALA A 34 2.347 -11.154 -13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.006 -9.262 -14.503 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.374 -9.844 -14.909 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.576 -8.349 -13.965 1.00 0.00 H new ATOM 504 N GLY A 35 2.256 -8.459 -11.150 1.00 0.00 N ATOM 505 CA GLY A 35 3.034 -7.739 -10.105 1.00 0.00 C ATOM 506 C GLY A 35 2.074 -7.081 -9.113 1.00 0.00 C ATOM 507 O GLY A 35 0.899 -6.927 -9.382 1.00 0.00 O ATOM 0 H GLY A 35 1.310 -8.111 -11.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.692 -8.434 -9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.670 -6.984 -10.567 1.00 0.00 H new ATOM 511 N VAL A 36 2.563 -6.695 -7.967 1.00 0.00 N ATOM 512 CA VAL A 36 1.676 -6.048 -6.959 1.00 0.00 C ATOM 513 C VAL A 36 1.531 -4.561 -7.287 1.00 0.00 C ATOM 514 O VAL A 36 2.492 -3.887 -7.600 1.00 0.00 O ATOM 515 CB VAL A 36 2.287 -6.205 -5.566 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.693 -7.662 -5.347 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.523 -5.309 -5.448 1.00 0.00 C ATOM 0 H VAL A 36 3.538 -6.799 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 36 0.695 -6.523 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 36 1.553 -5.916 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.128 -7.773 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.814 -8.301 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.426 -7.952 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.959 -5.420 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.256 -5.599 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.235 -4.269 -5.603 1.00 0.00 H new ATOM 527 N PHE A 37 0.335 -4.044 -7.212 1.00 0.00 N ATOM 528 CA PHE A 37 0.128 -2.600 -7.515 1.00 0.00 C ATOM 529 C PHE A 37 -0.972 -2.046 -6.606 1.00 0.00 C ATOM 530 O PHE A 37 -1.441 -2.716 -5.707 1.00 0.00 O ATOM 531 CB PHE A 37 -0.277 -2.438 -8.986 1.00 0.00 C ATOM 532 CG PHE A 37 -1.732 -2.808 -9.162 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.113 -4.153 -9.224 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.700 -1.801 -9.262 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.461 -4.492 -9.385 1.00 0.00 C ATOM 536 CE2 PHE A 37 -4.048 -2.140 -9.423 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.429 -3.485 -9.485 1.00 0.00 C ATOM 0 H PHE A 37 -0.507 -4.559 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 37 1.052 -2.050 -7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.113 -1.409 -9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.347 -3.071 -9.616 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.366 -4.930 -9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.406 -0.763 -9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.755 -5.530 -9.432 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.795 -1.363 -9.499 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.469 -3.746 -9.610 1.00 0.00 H new ATOM 547 N LEU A 38 -1.389 -0.830 -6.829 1.00 0.00 N ATOM 548 CA LEU A 38 -2.460 -0.247 -5.973 1.00 0.00 C ATOM 549 C LEU A 38 -3.485 0.472 -6.847 1.00 0.00 C ATOM 550 O LEU A 38 -3.211 1.508 -7.419 1.00 0.00 O ATOM 551 CB LEU A 38 -1.855 0.755 -4.979 1.00 0.00 C ATOM 552 CG LEU A 38 -0.375 0.439 -4.749 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.478 1.274 -5.705 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.001 0.781 -3.305 1.00 0.00 C ATOM 0 H LEU A 38 -1.036 -0.217 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.946 -1.053 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.963 1.770 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.395 0.712 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.196 -0.621 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.532 1.050 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.211 1.035 -6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.300 2.333 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.053 0.557 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.179 1.841 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.610 0.189 -2.622 1.00 0.00 H new ATOM 566 N ALA A 39 -4.670 -0.066 -6.950 1.00 0.00 N ATOM 567 CA ALA A 39 -5.713 0.595 -7.780 1.00 0.00 C ATOM 568 C ALA A 39 -6.532 1.535 -6.894 1.00 0.00 C ATOM 569 O ALA A 39 -6.560 1.402 -5.683 1.00 0.00 O ATOM 570 CB ALA A 39 -6.637 -0.460 -8.390 1.00 0.00 C ATOM 0 H ALA A 39 -4.959 -0.932 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.237 1.159 -8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.399 0.030 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.054 -1.136 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.118 -1.027 -7.593 1.00 0.00 H new ATOM 576 N ALA A 40 -7.199 2.485 -7.485 1.00 0.00 N ATOM 577 CA ALA A 40 -8.014 3.431 -6.677 1.00 0.00 C ATOM 578 C ALA A 40 -9.378 2.808 -6.382 1.00 0.00 C ATOM 579 O ALA A 40 -9.927 2.079 -7.184 1.00 0.00 O ATOM 580 CB ALA A 40 -8.210 4.732 -7.457 1.00 0.00 C ATOM 0 H ALA A 40 -7.215 2.647 -8.492 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.499 3.641 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.807 5.425 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.239 5.179 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.724 4.520 -8.395 1.00 0.00 H new ATOM 586 N ASN A 41 -9.931 3.093 -5.235 1.00 0.00 N ATOM 587 CA ASN A 41 -11.264 2.522 -4.891 1.00 0.00 C ATOM 588 C ASN A 41 -12.333 3.160 -5.781 1.00 0.00 C ATOM 589 O ASN A 41 -13.483 2.768 -5.764 1.00 0.00 O ATOM 590 CB ASN A 41 -11.579 2.815 -3.422 1.00 0.00 C ATOM 591 CG ASN A 41 -12.840 2.053 -3.008 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.822 2.650 -2.612 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.855 0.751 -3.083 1.00 0.00 N ATOM 0 H ASN A 41 -9.519 3.695 -4.523 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.253 1.444 -5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.739 2.519 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.724 3.885 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.691 0.234 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.031 0.250 -3.415 1.00 0.00 H new ATOM 600 N THR A 42 -11.964 4.142 -6.560 1.00 0.00 N ATOM 601 CA THR A 42 -12.959 4.805 -7.449 1.00 0.00 C ATOM 602 C THR A 42 -13.002 4.082 -8.796 1.00 0.00 C ATOM 603 O THR A 42 -13.890 4.300 -9.594 1.00 0.00 O ATOM 604 CB THR A 42 -12.553 6.264 -7.668 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.169 6.419 -7.384 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.371 7.170 -6.745 1.00 0.00 C ATOM 0 H THR A 42 -11.016 4.513 -6.618 1.00 0.00 H new ATOM 0 HA THR A 42 -13.944 4.766 -6.984 1.00 0.00 H new ATOM 0 HB THR A 42 -12.744 6.541 -8.705 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.936 7.371 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.080 8.208 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.432 7.053 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.185 6.895 -5.707 1.00 0.00 H new ATOM 614 N PHE A 43 -12.046 3.224 -9.051 1.00 0.00 N ATOM 615 CA PHE A 43 -12.016 2.477 -10.345 1.00 0.00 C ATOM 616 C PHE A 43 -13.448 2.134 -10.778 1.00 0.00 C ATOM 617 O PHE A 43 -14.269 1.785 -9.952 1.00 0.00 O ATOM 618 CB PHE A 43 -11.217 1.184 -10.154 1.00 0.00 C ATOM 619 CG PHE A 43 -11.169 0.420 -11.455 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.291 -0.297 -11.888 1.00 0.00 C ATOM 621 CD2 PHE A 43 -10.002 0.427 -12.228 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.245 -1.006 -13.095 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.956 -0.281 -13.434 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.077 -0.998 -13.868 1.00 0.00 C ATOM 0 H PHE A 43 -11.280 3.008 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.548 3.093 -11.113 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.206 1.416 -9.820 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.677 0.572 -9.378 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.191 -0.303 -11.292 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.136 0.979 -11.893 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.110 -1.559 -13.430 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.055 -0.274 -14.030 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.041 -1.545 -14.799 1.00 0.00 H new ATOM 634 N PRO A 44 -13.710 2.237 -12.059 1.00 0.00 N ATOM 635 CA PRO A 44 -12.720 2.656 -13.046 1.00 0.00 C ATOM 636 C PRO A 44 -12.510 4.177 -13.011 1.00 0.00 C ATOM 637 O PRO A 44 -11.616 4.695 -13.650 1.00 0.00 O ATOM 638 CB PRO A 44 -13.326 2.243 -14.381 1.00 0.00 C ATOM 639 CG PRO A 44 -14.863 2.274 -14.108 1.00 0.00 C ATOM 640 CD PRO A 44 -15.039 1.923 -12.601 1.00 0.00 C ATOM 0 HA PRO A 44 -11.744 2.207 -12.862 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.046 2.931 -15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.992 1.251 -14.684 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.279 3.257 -14.331 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.386 1.556 -14.739 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.822 2.518 -12.132 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.303 0.876 -12.454 1.00 0.00 H new ATOM 648 N LYS A 45 -13.324 4.897 -12.282 1.00 0.00 N ATOM 649 CA LYS A 45 -13.159 6.379 -12.226 1.00 0.00 C ATOM 650 C LYS A 45 -11.671 6.716 -12.088 1.00 0.00 C ATOM 651 O LYS A 45 -11.221 7.766 -12.504 1.00 0.00 O ATOM 652 CB LYS A 45 -13.939 6.935 -11.028 1.00 0.00 C ATOM 653 CG LYS A 45 -13.415 8.326 -10.669 1.00 0.00 C ATOM 654 CD LYS A 45 -14.257 8.914 -9.535 1.00 0.00 C ATOM 655 CE LYS A 45 -14.700 10.330 -9.909 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.554 10.886 -8.823 1.00 0.00 N ATOM 0 H LYS A 45 -14.093 4.524 -11.725 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.545 6.829 -13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.001 6.987 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.837 6.266 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.370 8.265 -10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.456 8.978 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.128 8.286 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.679 8.935 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.829 10.966 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.253 10.314 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.006 11.763 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.287 10.193 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.967 11.090 -7.989 1.00 0.00 H new ATOM 670 N SER A 46 -10.905 5.832 -11.514 1.00 0.00 N ATOM 671 CA SER A 46 -9.450 6.099 -11.359 1.00 0.00 C ATOM 672 C SER A 46 -8.663 4.868 -11.807 1.00 0.00 C ATOM 673 O SER A 46 -8.683 3.838 -11.163 1.00 0.00 O ATOM 674 CB SER A 46 -9.139 6.401 -9.891 1.00 0.00 C ATOM 675 OG SER A 46 -7.784 6.069 -9.620 1.00 0.00 O ATOM 0 H SER A 46 -11.224 4.936 -11.146 1.00 0.00 H new ATOM 0 HA SER A 46 -9.167 6.956 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.316 7.455 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.802 5.829 -9.242 1.00 0.00 H new ATOM 0 HG SER A 46 -7.346 6.822 -9.172 1.00 0.00 H new ATOM 681 N ARG A 47 -7.972 4.963 -12.909 1.00 0.00 N ATOM 682 CA ARG A 47 -7.188 3.795 -13.396 1.00 0.00 C ATOM 683 C ARG A 47 -5.784 3.844 -12.794 1.00 0.00 C ATOM 684 O ARG A 47 -4.885 3.153 -13.230 1.00 0.00 O ATOM 685 CB ARG A 47 -7.093 3.842 -14.922 1.00 0.00 C ATOM 686 CG ARG A 47 -7.952 2.728 -15.522 1.00 0.00 C ATOM 687 CD ARG A 47 -8.307 3.078 -16.969 1.00 0.00 C ATOM 688 NE ARG A 47 -7.804 2.010 -17.876 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.627 1.113 -18.349 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.494 1.444 -19.266 1.00 0.00 N ATOM 691 NH2 ARG A 47 -8.583 -0.113 -17.904 1.00 0.00 N ATOM 0 H ARG A 47 -7.917 5.798 -13.492 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.683 2.872 -13.095 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.429 4.812 -15.288 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.056 3.725 -15.236 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.413 1.781 -15.488 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.861 2.599 -14.935 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.387 3.181 -17.075 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.867 4.038 -17.241 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.816 1.979 -18.128 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.529 2.403 -19.613 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.137 0.744 -19.636 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.906 -0.371 -17.186 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.226 -0.813 -18.274 1.00 0.00 H new ATOM 705 N GLU A 48 -5.591 4.654 -11.789 1.00 0.00 N ATOM 706 CA GLU A 48 -4.247 4.746 -11.156 1.00 0.00 C ATOM 707 C GLU A 48 -3.863 3.375 -10.595 1.00 0.00 C ATOM 708 O GLU A 48 -4.232 3.018 -9.494 1.00 0.00 O ATOM 709 CB GLU A 48 -4.285 5.772 -10.021 1.00 0.00 C ATOM 710 CG GLU A 48 -4.596 7.154 -10.596 1.00 0.00 C ATOM 711 CD GLU A 48 -4.079 8.232 -9.642 1.00 0.00 C ATOM 712 OE1 GLU A 48 -2.890 8.232 -9.369 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.881 9.040 -9.201 1.00 0.00 O ATOM 0 H GLU A 48 -6.306 5.255 -11.380 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.512 5.058 -11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.042 5.492 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.328 5.790 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.130 7.266 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.671 7.266 -10.740 1.00 0.00 H new ATOM 720 N THR A 49 -3.127 2.606 -11.345 1.00 0.00 N ATOM 721 CA THR A 49 -2.721 1.256 -10.859 1.00 0.00 C ATOM 722 C THR A 49 -1.287 0.970 -11.308 1.00 0.00 C ATOM 723 O THR A 49 -0.968 1.047 -12.478 1.00 0.00 O ATOM 724 CB THR A 49 -3.659 0.191 -11.441 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.923 -0.998 -11.691 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.274 0.693 -12.750 1.00 0.00 C ATOM 0 H THR A 49 -2.788 2.853 -12.275 1.00 0.00 H new ATOM 0 HA THR A 49 -2.779 1.230 -9.771 1.00 0.00 H new ATOM 0 HB THR A 49 -4.457 -0.012 -10.727 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.049 -1.623 -10.947 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.938 -0.070 -13.156 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.841 1.604 -12.560 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.481 0.902 -13.468 1.00 0.00 H new ATOM 734 N ARG A 50 -0.419 0.642 -10.392 1.00 0.00 N ATOM 735 CA ARG A 50 0.992 0.356 -10.778 1.00 0.00 C ATOM 736 C ARG A 50 1.786 -0.090 -9.547 1.00 0.00 C ATOM 737 O ARG A 50 1.283 -0.101 -8.442 1.00 0.00 O ATOM 738 CB ARG A 50 1.626 1.621 -11.359 1.00 0.00 C ATOM 739 CG ARG A 50 1.310 2.813 -10.452 1.00 0.00 C ATOM 740 CD ARG A 50 2.587 3.265 -9.741 1.00 0.00 C ATOM 741 NE ARG A 50 3.060 4.546 -10.339 1.00 0.00 N ATOM 742 CZ ARG A 50 3.085 5.633 -9.616 1.00 0.00 C ATOM 743 NH1 ARG A 50 1.990 6.316 -9.427 1.00 0.00 N ATOM 744 NH2 ARG A 50 4.206 6.035 -9.083 1.00 0.00 N ATOM 0 H ARG A 50 -0.624 0.560 -9.396 1.00 0.00 H new ATOM 0 HA ARG A 50 1.007 -0.439 -11.524 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.705 1.493 -11.446 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.244 1.804 -12.364 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.899 3.633 -11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.552 2.536 -9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.396 3.397 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.358 2.501 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 50 3.364 4.573 -11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.114 6.001 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.010 7.165 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.062 5.500 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.227 6.884 -8.518 1.00 0.00 H new ATOM 758 N ALA A 51 3.025 -0.456 -9.732 1.00 0.00 N ATOM 759 CA ALA A 51 3.854 -0.900 -8.577 1.00 0.00 C ATOM 760 C ALA A 51 3.984 0.247 -7.569 1.00 0.00 C ATOM 761 O ALA A 51 3.935 1.404 -7.940 1.00 0.00 O ATOM 762 CB ALA A 51 5.239 -1.309 -9.075 1.00 0.00 C ATOM 0 H ALA A 51 3.499 -0.466 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 51 3.378 -1.752 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.848 -1.634 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.142 -2.127 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.717 -0.458 -9.560 1.00 0.00 H new ATOM 768 N PRO A 52 4.127 -0.111 -6.318 1.00 0.00 N ATOM 769 CA PRO A 52 4.244 0.862 -5.243 1.00 0.00 C ATOM 770 C PRO A 52 5.678 1.394 -5.128 1.00 0.00 C ATOM 771 O PRO A 52 6.628 0.637 -5.079 1.00 0.00 O ATOM 772 CB PRO A 52 3.881 0.076 -3.992 1.00 0.00 C ATOM 773 CG PRO A 52 4.289 -1.392 -4.346 1.00 0.00 C ATOM 774 CD PRO A 52 4.175 -1.519 -5.895 1.00 0.00 C ATOM 0 HA PRO A 52 3.606 1.731 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.420 0.442 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.818 0.153 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.305 -1.604 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.635 -2.108 -3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.028 -2.045 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.280 -2.065 -6.194 1.00 0.00 H new ATOM 782 N LEU A 53 5.840 2.689 -5.067 1.00 0.00 N ATOM 783 CA LEU A 53 7.207 3.260 -4.929 1.00 0.00 C ATOM 784 C LEU A 53 7.863 2.669 -3.678 1.00 0.00 C ATOM 785 O LEU A 53 7.201 2.394 -2.696 1.00 0.00 O ATOM 786 CB LEU A 53 7.113 4.784 -4.784 1.00 0.00 C ATOM 787 CG LEU A 53 7.822 5.451 -5.963 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.522 6.946 -5.970 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.331 5.245 -5.833 1.00 0.00 C ATOM 0 H LEU A 53 5.085 3.373 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 53 7.801 3.019 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.068 5.093 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.569 5.100 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 53 7.466 5.005 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.030 7.415 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.447 7.101 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.874 7.392 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.837 5.720 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.680 5.689 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.554 4.178 -5.832 1.00 0.00 H new ATOM 801 N VAL A 54 9.153 2.463 -3.697 1.00 0.00 N ATOM 802 CA VAL A 54 9.822 1.884 -2.499 1.00 0.00 C ATOM 803 C VAL A 54 9.590 2.798 -1.295 1.00 0.00 C ATOM 804 O VAL A 54 9.617 2.364 -0.160 1.00 0.00 O ATOM 805 CB VAL A 54 11.322 1.749 -2.760 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.925 0.762 -1.758 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.546 1.228 -4.178 1.00 0.00 C ATOM 0 H VAL A 54 9.767 2.669 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 54 9.405 0.898 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 54 11.800 2.722 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.995 0.664 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.764 1.128 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.447 -0.211 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.615 1.131 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.069 0.254 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.114 1.926 -4.895 1.00 0.00 H new ATOM 817 N GLU A 55 9.356 4.059 -1.531 1.00 0.00 N ATOM 818 CA GLU A 55 9.117 4.994 -0.397 1.00 0.00 C ATOM 819 C GLU A 55 7.703 4.778 0.143 1.00 0.00 C ATOM 820 O GLU A 55 7.467 4.844 1.332 1.00 0.00 O ATOM 821 CB GLU A 55 9.268 6.439 -0.880 1.00 0.00 C ATOM 822 CG GLU A 55 8.455 6.639 -2.160 1.00 0.00 C ATOM 823 CD GLU A 55 8.336 8.135 -2.461 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.608 8.922 -1.569 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.975 8.468 -3.577 1.00 0.00 O ATOM 0 H GLU A 55 9.320 4.482 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 55 9.843 4.803 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.926 7.129 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.318 6.663 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.937 6.127 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.464 6.200 -2.046 1.00 0.00 H new ATOM 832 N GLU A 56 6.763 4.510 -0.721 1.00 0.00 N ATOM 833 CA GLU A 56 5.371 4.278 -0.251 1.00 0.00 C ATOM 834 C GLU A 56 5.318 2.938 0.485 1.00 0.00 C ATOM 835 O GLU A 56 4.491 2.720 1.347 1.00 0.00 O ATOM 836 CB GLU A 56 4.423 4.242 -1.452 1.00 0.00 C ATOM 837 CG GLU A 56 4.055 5.671 -1.855 1.00 0.00 C ATOM 838 CD GLU A 56 3.415 5.662 -3.245 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.270 5.253 -3.344 1.00 0.00 O ATOM 840 OE2 GLU A 56 4.081 6.063 -4.185 1.00 0.00 O ATOM 0 H GLU A 56 6.899 4.442 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 56 5.066 5.082 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.897 3.728 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.523 3.680 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.364 6.099 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.945 6.300 -1.857 1.00 0.00 H new ATOM 847 N LEU A 57 6.206 2.043 0.149 1.00 0.00 N ATOM 848 CA LEU A 57 6.225 0.717 0.824 1.00 0.00 C ATOM 849 C LEU A 57 6.805 0.874 2.230 1.00 0.00 C ATOM 850 O LEU A 57 6.338 0.271 3.177 1.00 0.00 O ATOM 851 CB LEU A 57 7.099 -0.248 0.019 1.00 0.00 C ATOM 852 CG LEU A 57 6.465 -1.642 0.011 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.990 -2.004 1.419 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.271 -1.653 -0.946 1.00 0.00 C ATOM 0 H LEU A 57 6.921 2.175 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 57 5.210 0.324 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.212 0.116 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.098 -0.296 0.453 1.00 0.00 H new ATOM 0 HG LEU A 57 7.206 -2.371 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.540 -2.997 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.839 -1.999 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.252 -1.275 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.819 -2.645 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.534 -0.921 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.608 -1.401 -1.952 1.00 0.00 H new ATOM 866 N TYR A 58 7.822 1.682 2.376 1.00 0.00 N ATOM 867 CA TYR A 58 8.431 1.876 3.721 1.00 0.00 C ATOM 868 C TYR A 58 7.457 2.644 4.617 1.00 0.00 C ATOM 869 O TYR A 58 7.268 2.314 5.771 1.00 0.00 O ATOM 870 CB TYR A 58 9.731 2.671 3.582 1.00 0.00 C ATOM 871 CG TYR A 58 10.696 2.253 4.664 1.00 0.00 C ATOM 872 CD1 TYR A 58 11.061 0.907 4.796 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.227 3.209 5.537 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.956 0.519 5.799 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.123 2.822 6.540 1.00 0.00 C ATOM 876 CZ TYR A 58 12.487 1.476 6.672 1.00 0.00 C ATOM 877 OH TYR A 58 13.371 1.094 7.660 1.00 0.00 O ATOM 0 H TYR A 58 8.256 2.215 1.622 1.00 0.00 H new ATOM 0 HA TYR A 58 8.645 0.904 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.172 2.498 2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.526 3.739 3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.651 0.168 4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.945 4.247 5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 58 12.237 -0.519 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.534 3.561 7.212 1.00 0.00 H new ATOM 0 HH TYR A 58 13.644 1.881 8.177 1.00 0.00 H new ATOM 887 N ARG A 59 6.840 3.670 4.096 1.00 0.00 N ATOM 888 CA ARG A 59 5.880 4.459 4.920 1.00 0.00 C ATOM 889 C ARG A 59 4.664 3.594 5.258 1.00 0.00 C ATOM 890 O ARG A 59 4.016 3.788 6.268 1.00 0.00 O ATOM 891 CB ARG A 59 5.426 5.691 4.134 1.00 0.00 C ATOM 892 CG ARG A 59 4.986 6.784 5.109 1.00 0.00 C ATOM 893 CD ARG A 59 3.604 7.302 4.706 1.00 0.00 C ATOM 894 NE ARG A 59 2.872 7.763 5.918 1.00 0.00 N ATOM 895 CZ ARG A 59 2.843 7.016 6.988 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.639 5.732 6.881 1.00 0.00 N ATOM 897 NH2 ARG A 59 3.020 7.553 8.164 1.00 0.00 N ATOM 0 H ARG A 59 6.959 3.996 3.137 1.00 0.00 H new ATOM 0 HA ARG A 59 6.368 4.775 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.239 6.055 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.603 5.429 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.956 6.389 6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.707 7.601 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.705 8.122 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.041 6.514 4.206 1.00 0.00 H new ATOM 0 HE ARG A 59 2.393 8.663 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.502 5.312 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.616 5.148 7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.181 8.557 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.997 6.969 9.000 1.00 0.00 H new ATOM 911 N PHE A 60 4.350 2.643 4.423 1.00 0.00 N ATOM 912 CA PHE A 60 3.176 1.768 4.701 1.00 0.00 C ATOM 913 C PHE A 60 3.665 0.403 5.187 1.00 0.00 C ATOM 914 O PHE A 60 3.013 -0.604 4.997 1.00 0.00 O ATOM 915 CB PHE A 60 2.353 1.593 3.424 1.00 0.00 C ATOM 916 CG PHE A 60 1.538 2.840 3.177 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.151 3.987 2.660 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.167 2.849 3.466 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.396 5.144 2.433 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.589 4.005 3.238 1.00 0.00 C ATOM 921 CZ PHE A 60 0.025 5.152 2.722 1.00 0.00 C ATOM 0 H PHE A 60 4.854 2.434 3.561 1.00 0.00 H new ATOM 0 HA PHE A 60 2.554 2.227 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.012 1.402 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.696 0.728 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.207 3.980 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.307 1.964 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.870 6.029 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.646 4.012 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.558 6.044 2.546 1.00 0.00 H new ATOM 931 N ARG A 61 4.809 0.364 5.812 1.00 0.00 N ATOM 932 CA ARG A 61 5.341 -0.936 6.312 1.00 0.00 C ATOM 933 C ARG A 61 4.425 -1.471 7.414 1.00 0.00 C ATOM 934 O ARG A 61 4.246 -2.663 7.561 1.00 0.00 O ATOM 935 CB ARG A 61 6.749 -0.727 6.875 1.00 0.00 C ATOM 936 CG ARG A 61 7.776 -1.357 5.932 1.00 0.00 C ATOM 937 CD ARG A 61 8.252 -2.691 6.511 1.00 0.00 C ATOM 938 NE ARG A 61 9.524 -2.482 7.260 1.00 0.00 N ATOM 939 CZ ARG A 61 10.418 -3.430 7.305 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.840 -3.983 6.200 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.890 -3.828 8.455 1.00 0.00 N ATOM 0 H ARG A 61 5.399 1.175 5.998 1.00 0.00 H new ATOM 0 HA ARG A 61 5.380 -1.653 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.951 0.338 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.826 -1.176 7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.334 -1.513 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.623 -0.684 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.491 -3.104 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.404 -3.414 5.710 1.00 0.00 H new ATOM 0 HE ARG A 61 9.695 -1.597 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.470 -3.673 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.539 -4.725 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.559 -3.397 9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.589 -4.570 8.490 1.00 0.00 H new ATOM 955 N ASP A 62 3.841 -0.597 8.189 1.00 0.00 N ATOM 956 CA ASP A 62 2.935 -1.054 9.281 1.00 0.00 C ATOM 957 C ASP A 62 1.723 -1.769 8.677 1.00 0.00 C ATOM 958 O ASP A 62 0.952 -2.399 9.373 1.00 0.00 O ATOM 959 CB ASP A 62 2.462 0.156 10.090 1.00 0.00 C ATOM 960 CG ASP A 62 2.138 1.311 9.141 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.040 1.325 8.610 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.993 2.162 8.962 1.00 0.00 O ATOM 0 H ASP A 62 3.952 0.414 8.113 1.00 0.00 H new ATOM 0 HA ASP A 62 3.473 -1.742 9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.580 -0.106 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.235 0.458 10.797 1.00 0.00 H new ATOM 967 N ARG A 63 1.553 -1.681 7.386 1.00 0.00 N ATOM 968 CA ARG A 63 0.396 -2.360 6.737 1.00 0.00 C ATOM 969 C ARG A 63 0.922 -3.390 5.737 1.00 0.00 C ATOM 970 O ARG A 63 0.198 -4.247 5.270 1.00 0.00 O ATOM 971 CB ARG A 63 -0.456 -1.323 6.002 1.00 0.00 C ATOM 972 CG ARG A 63 -1.824 -1.214 6.678 1.00 0.00 C ATOM 973 CD ARG A 63 -2.434 0.156 6.378 1.00 0.00 C ATOM 974 NE ARG A 63 -2.617 0.906 7.652 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.145 2.101 7.636 1.00 0.00 C ATOM 976 NH1 ARG A 63 -2.565 3.061 6.969 1.00 0.00 N ATOM 977 NH2 ARG A 63 -4.251 2.334 8.287 1.00 0.00 N ATOM 0 H ARG A 63 2.166 -1.168 6.752 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.213 -2.857 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.044 -0.354 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.577 -1.610 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.483 -2.004 6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.721 -1.350 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.785 0.715 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.392 0.037 5.872 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.330 0.487 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.700 2.878 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.977 3.994 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.704 1.583 8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.663 3.267 8.275 1.00 0.00 H new ATOM 991 N LEU A 64 2.181 -3.310 5.411 1.00 0.00 N ATOM 992 CA LEU A 64 2.777 -4.271 4.447 1.00 0.00 C ATOM 993 C LEU A 64 2.294 -5.693 4.757 1.00 0.00 C ATOM 994 O LEU A 64 2.778 -6.315 5.681 1.00 0.00 O ATOM 995 CB LEU A 64 4.296 -4.223 4.583 1.00 0.00 C ATOM 996 CG LEU A 64 4.943 -4.570 3.245 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.454 -4.379 3.357 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.636 -6.027 2.893 1.00 0.00 C ATOM 0 H LEU A 64 2.828 -2.611 5.776 1.00 0.00 H new ATOM 0 HA LEU A 64 2.476 -4.003 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.611 -3.230 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.625 -4.925 5.350 1.00 0.00 H new ATOM 0 HG LEU A 64 4.548 -3.920 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.923 -4.625 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.672 -3.342 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.847 -5.034 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.098 -6.276 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.034 -6.680 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.557 -6.164 2.821 1.00 0.00 H new ATOM 1010 N PRO A 65 1.362 -6.172 3.970 1.00 0.00 N ATOM 1011 CA PRO A 65 0.830 -7.512 4.153 1.00 0.00 C ATOM 1012 C PRO A 65 1.984 -8.516 4.224 1.00 0.00 C ATOM 1013 O PRO A 65 2.312 -9.023 5.278 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.040 -7.753 2.921 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.423 -6.312 2.458 1.00 0.00 C ATOM 1016 CD PRO A 65 0.780 -5.410 2.856 1.00 0.00 C ATOM 0 HA PRO A 65 0.258 -7.625 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.503 -8.293 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.923 -8.345 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.598 -6.280 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.341 -5.976 2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.485 -5.281 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.462 -4.414 3.163 1.00 0.00 H new ATOM 1024 N GLU A 66 2.605 -8.799 3.112 1.00 0.00 N ATOM 1025 CA GLU A 66 3.737 -9.762 3.106 1.00 0.00 C ATOM 1026 C GLU A 66 4.200 -9.973 1.665 1.00 0.00 C ATOM 1027 O GLU A 66 5.362 -10.197 1.397 1.00 0.00 O ATOM 1028 CB GLU A 66 3.265 -11.094 3.678 1.00 0.00 C ATOM 1029 CG GLU A 66 4.463 -11.875 4.222 1.00 0.00 C ATOM 1030 CD GLU A 66 4.388 -11.926 5.749 1.00 0.00 C ATOM 1031 OE1 GLU A 66 3.320 -12.223 6.261 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.399 -11.669 6.381 1.00 0.00 O ATOM 0 H GLU A 66 2.373 -8.400 2.202 1.00 0.00 H new ATOM 0 HA GLU A 66 4.558 -9.373 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.539 -10.923 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.761 -11.674 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.468 -12.886 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.393 -11.400 3.909 1.00 0.00 H new ATOM 1039 N LYS A 67 3.290 -9.901 0.732 1.00 0.00 N ATOM 1040 CA LYS A 67 3.661 -10.107 -0.701 1.00 0.00 C ATOM 1041 C LYS A 67 4.443 -8.903 -1.244 1.00 0.00 C ATOM 1042 O LYS A 67 4.680 -8.800 -2.431 1.00 0.00 O ATOM 1043 CB LYS A 67 2.387 -10.292 -1.527 1.00 0.00 C ATOM 1044 CG LYS A 67 2.357 -11.706 -2.111 1.00 0.00 C ATOM 1045 CD LYS A 67 1.102 -12.432 -1.622 1.00 0.00 C ATOM 1046 CE LYS A 67 1.428 -13.215 -0.349 1.00 0.00 C ATOM 1047 NZ LYS A 67 0.228 -13.989 0.078 1.00 0.00 N ATOM 0 H LYS A 67 2.302 -9.708 0.899 1.00 0.00 H new ATOM 0 HA LYS A 67 4.293 -10.992 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.509 -10.126 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.351 -9.555 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.364 -11.662 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.249 -12.255 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.307 -11.713 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.736 -13.109 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.265 -13.890 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.734 -12.532 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.448 -14.522 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.559 -13.335 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.044 -14.651 -0.676 1.00 0.00 H new ATOM 1061 N LEU A 68 4.853 -7.994 -0.400 1.00 0.00 N ATOM 1062 CA LEU A 68 5.618 -6.815 -0.899 1.00 0.00 C ATOM 1063 C LEU A 68 6.739 -6.484 0.084 1.00 0.00 C ATOM 1064 O LEU A 68 7.382 -5.460 -0.019 1.00 0.00 O ATOM 1065 CB LEU A 68 4.690 -5.601 -1.030 1.00 0.00 C ATOM 1066 CG LEU A 68 3.249 -6.063 -1.250 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.575 -6.289 0.105 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.485 -4.987 -2.024 1.00 0.00 C ATOM 0 H LEU A 68 4.693 -8.016 0.607 1.00 0.00 H new ATOM 0 HA LEU A 68 6.038 -7.053 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.750 -4.988 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.011 -4.976 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 68 3.246 -6.993 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.548 -6.618 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.121 -7.052 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.576 -5.358 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.457 -5.313 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.487 -4.058 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.966 -4.822 -2.988 1.00 0.00 H new ATOM 1080 N ARG A 69 6.979 -7.340 1.041 1.00 0.00 N ATOM 1081 CA ARG A 69 8.059 -7.063 2.029 1.00 0.00 C ATOM 1082 C ARG A 69 9.380 -6.819 1.295 1.00 0.00 C ATOM 1083 O ARG A 69 9.989 -5.776 1.424 1.00 0.00 O ATOM 1084 CB ARG A 69 8.210 -8.260 2.969 1.00 0.00 C ATOM 1085 CG ARG A 69 9.262 -7.944 4.036 1.00 0.00 C ATOM 1086 CD ARG A 69 8.573 -7.714 5.381 1.00 0.00 C ATOM 1087 NE ARG A 69 8.557 -8.987 6.155 1.00 0.00 N ATOM 1088 CZ ARG A 69 8.339 -8.966 7.442 1.00 0.00 C ATOM 1089 NH1 ARG A 69 7.594 -8.029 7.962 1.00 0.00 N ATOM 1090 NH2 ARG A 69 8.864 -9.882 8.208 1.00 0.00 N ATOM 0 H ARG A 69 6.475 -8.216 1.180 1.00 0.00 H new ATOM 0 HA ARG A 69 7.800 -6.176 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.254 -8.487 3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.504 -9.144 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.973 -8.767 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.830 -7.059 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.097 -6.941 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.555 -7.359 5.224 1.00 0.00 H new ATOM 0 HE ARG A 69 8.716 -9.875 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.182 -7.313 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.423 -8.012 8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.445 -10.615 7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.693 -9.865 9.213 1.00 0.00 H new ATOM 1104 N TYR A 70 9.830 -7.774 0.527 1.00 0.00 N ATOM 1105 CA TYR A 70 11.112 -7.593 -0.211 1.00 0.00 C ATOM 1106 C TYR A 70 11.075 -6.278 -0.992 1.00 0.00 C ATOM 1107 O TYR A 70 12.088 -5.642 -1.205 1.00 0.00 O ATOM 1108 CB TYR A 70 11.309 -8.755 -1.186 1.00 0.00 C ATOM 1109 CG TYR A 70 9.977 -9.160 -1.768 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.435 -8.444 -2.842 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.283 -10.253 -1.234 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.200 -8.820 -3.383 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.047 -10.629 -1.775 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.506 -9.913 -2.849 1.00 0.00 C ATOM 1115 OH TYR A 70 6.288 -10.283 -3.383 1.00 0.00 O ATOM 0 H TYR A 70 9.366 -8.670 0.379 1.00 0.00 H new ATOM 0 HA TYR A 70 11.937 -7.569 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.992 -8.462 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.765 -9.601 -0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.970 -7.601 -3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.701 -10.806 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.783 -8.268 -4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.511 -11.472 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 70 5.672 -9.521 -3.351 1.00 0.00 H new ATOM 1125 N LEU A 71 9.913 -5.867 -1.420 1.00 0.00 N ATOM 1126 CA LEU A 71 9.810 -4.595 -2.189 1.00 0.00 C ATOM 1127 C LEU A 71 10.060 -3.413 -1.249 1.00 0.00 C ATOM 1128 O LEU A 71 10.684 -2.438 -1.616 1.00 0.00 O ATOM 1129 CB LEU A 71 8.409 -4.483 -2.796 1.00 0.00 C ATOM 1130 CG LEU A 71 8.323 -5.350 -4.052 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.860 -5.495 -4.474 1.00 0.00 C ATOM 1132 CD2 LEU A 71 9.112 -4.686 -5.179 1.00 0.00 C ATOM 0 H LEU A 71 9.031 -6.357 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 71 10.552 -4.586 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.661 -4.802 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.191 -3.444 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 71 8.740 -6.335 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.799 -6.113 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.294 -5.965 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.443 -4.510 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.053 -5.302 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.692 -3.702 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.155 -4.580 -4.880 1.00 0.00 H new ATOM 1144 N ALA A 72 9.581 -3.495 -0.039 1.00 0.00 N ATOM 1145 CA ALA A 72 9.794 -2.380 0.925 1.00 0.00 C ATOM 1146 C ALA A 72 11.247 -2.396 1.398 1.00 0.00 C ATOM 1147 O ALA A 72 11.734 -1.444 1.976 1.00 0.00 O ATOM 1148 CB ALA A 72 8.863 -2.560 2.125 1.00 0.00 C ATOM 0 H ALA A 72 9.051 -4.287 0.324 1.00 0.00 H new ATOM 0 HA ALA A 72 9.578 -1.428 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.018 -1.744 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.827 -2.554 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.079 -3.510 2.614 1.00 0.00 H new ATOM 1154 N ASP A 73 11.946 -3.470 1.154 1.00 0.00 N ATOM 1155 CA ASP A 73 13.369 -3.549 1.586 1.00 0.00 C ATOM 1156 C ASP A 73 14.263 -2.998 0.474 1.00 0.00 C ATOM 1157 O ASP A 73 15.432 -2.730 0.676 1.00 0.00 O ATOM 1158 CB ASP A 73 13.740 -5.007 1.865 1.00 0.00 C ATOM 1159 CG ASP A 73 13.831 -5.232 3.375 1.00 0.00 C ATOM 1160 OD1 ASP A 73 14.254 -4.319 4.066 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.477 -6.313 3.814 1.00 0.00 O ATOM 0 H ASP A 73 11.592 -4.297 0.673 1.00 0.00 H new ATOM 0 HA ASP A 73 13.509 -2.962 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.993 -5.672 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.693 -5.247 1.393 1.00 0.00 H new ATOM 1166 N ALA A 74 13.721 -2.824 -0.699 1.00 0.00 N ATOM 1167 CA ALA A 74 14.533 -2.289 -1.827 1.00 0.00 C ATOM 1168 C ALA A 74 14.823 -0.803 -1.582 1.00 0.00 C ATOM 1169 O ALA A 74 14.258 -0.207 -0.686 1.00 0.00 O ATOM 1170 CB ALA A 74 13.750 -2.450 -3.132 1.00 0.00 C ATOM 0 H ALA A 74 12.748 -3.030 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 74 15.473 -2.836 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.340 -2.060 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.539 -3.506 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.812 -1.899 -3.064 1.00 0.00 H new ATOM 1176 N PRO A 75 15.694 -0.245 -2.389 1.00 0.00 N ATOM 1177 CA PRO A 75 16.060 1.161 -2.273 1.00 0.00 C ATOM 1178 C PRO A 75 14.873 2.051 -2.652 1.00 0.00 C ATOM 1179 O PRO A 75 13.891 1.590 -3.197 1.00 0.00 O ATOM 1180 CB PRO A 75 17.213 1.338 -3.256 1.00 0.00 C ATOM 1181 CG PRO A 75 17.001 0.182 -4.281 1.00 0.00 C ATOM 1182 CD PRO A 75 16.366 -0.982 -3.469 1.00 0.00 C ATOM 0 HA PRO A 75 16.343 1.440 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.181 2.314 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.180 1.261 -2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.347 0.495 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.946 -0.123 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.666 -1.566 -4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.116 -1.675 -3.089 1.00 0.00 H new ATOM 1190 N GLN A 76 14.949 3.322 -2.359 1.00 0.00 N ATOM 1191 CA GLN A 76 13.817 4.232 -2.696 1.00 0.00 C ATOM 1192 C GLN A 76 14.355 5.549 -3.269 1.00 0.00 C ATOM 1193 O GLN A 76 13.708 6.572 -3.199 1.00 0.00 O ATOM 1194 CB GLN A 76 13.013 4.525 -1.429 1.00 0.00 C ATOM 1195 CG GLN A 76 13.970 4.869 -0.285 1.00 0.00 C ATOM 1196 CD GLN A 76 13.166 5.285 0.948 1.00 0.00 C ATOM 1197 OE1 GLN A 76 11.958 5.413 0.886 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.787 5.502 2.074 1.00 0.00 N ATOM 0 H GLN A 76 15.744 3.768 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 76 13.180 3.752 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.327 5.353 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.407 3.660 -1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.596 4.008 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.638 5.676 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.800 5.395 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.260 5.779 2.902 1.00 0.00 H new ATOM 1207 N GLN A 77 15.528 5.534 -3.846 1.00 0.00 N ATOM 1208 CA GLN A 77 16.087 6.795 -4.419 1.00 0.00 C ATOM 1209 C GLN A 77 17.582 6.635 -4.726 1.00 0.00 C ATOM 1210 O GLN A 77 18.153 7.425 -5.451 1.00 0.00 O ATOM 1211 CB GLN A 77 15.911 7.945 -3.420 1.00 0.00 C ATOM 1212 CG GLN A 77 16.211 7.458 -2.000 1.00 0.00 C ATOM 1213 CD GLN A 77 15.100 7.919 -1.055 1.00 0.00 C ATOM 1214 OE1 GLN A 77 13.976 8.119 -1.472 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.368 8.096 0.210 1.00 0.00 N ATOM 0 H GLN A 77 16.120 4.709 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 77 15.551 7.015 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.578 8.768 -3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.893 8.331 -3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.287 6.371 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.172 7.849 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.311 7.928 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.634 8.402 0.849 1.00 0.00 H new ATOM 1224 N ASP A 78 18.229 5.640 -4.175 1.00 0.00 N ATOM 1225 CA ASP A 78 19.686 5.468 -4.444 1.00 0.00 C ATOM 1226 C ASP A 78 20.455 6.571 -3.707 1.00 0.00 C ATOM 1227 O ASP A 78 19.852 7.467 -3.150 1.00 0.00 O ATOM 1228 CB ASP A 78 19.939 5.568 -5.952 1.00 0.00 C ATOM 1229 CG ASP A 78 20.416 4.213 -6.478 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.698 3.244 -6.296 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.491 4.170 -7.052 1.00 0.00 O ATOM 0 H ASP A 78 17.814 4.944 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 78 20.022 4.492 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.026 5.869 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.687 6.334 -6.156 1.00 0.00 H new ATOM 1236 N PRO A 79 21.762 6.477 -3.715 1.00 0.00 N ATOM 1237 CA PRO A 79 22.601 7.460 -3.045 1.00 0.00 C ATOM 1238 C PRO A 79 22.544 8.799 -3.785 1.00 0.00 C ATOM 1239 O PRO A 79 23.096 9.787 -3.343 1.00 0.00 O ATOM 1240 CB PRO A 79 24.005 6.864 -3.090 1.00 0.00 C ATOM 1241 CG PRO A 79 23.954 5.895 -4.312 1.00 0.00 C ATOM 1242 CD PRO A 79 22.484 5.390 -4.393 1.00 0.00 C ATOM 0 HA PRO A 79 22.279 7.661 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.764 7.635 -3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.245 6.334 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.242 6.408 -5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.646 5.063 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.152 5.257 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 79 22.351 4.433 -3.889 1.00 0.00 H new ATOM 1250 N GLU A 80 21.876 8.841 -4.905 1.00 0.00 N ATOM 1251 CA GLU A 80 21.776 10.118 -5.666 1.00 0.00 C ATOM 1252 C GLU A 80 20.516 10.866 -5.225 1.00 0.00 C ATOM 1253 O GLU A 80 20.505 12.076 -5.114 1.00 0.00 O ATOM 1254 CB GLU A 80 21.695 9.816 -7.164 1.00 0.00 C ATOM 1255 CG GLU A 80 21.889 11.111 -7.956 1.00 0.00 C ATOM 1256 CD GLU A 80 23.381 11.438 -8.041 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.960 11.745 -7.012 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.919 11.377 -9.134 1.00 0.00 O ATOM 0 H GLU A 80 21.395 8.046 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 80 22.655 10.732 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.459 9.090 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.729 9.371 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.472 11.004 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.353 11.929 -7.474 1.00 0.00 H new ATOM 1265 N GLY A 81 19.453 10.151 -4.968 1.00 0.00 N ATOM 1266 CA GLY A 81 18.193 10.814 -4.528 1.00 0.00 C ATOM 1267 C GLY A 81 17.055 10.432 -5.474 1.00 0.00 C ATOM 1268 O GLY A 81 15.936 10.231 -5.052 1.00 0.00 O ATOM 0 H GLY A 81 19.404 9.135 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.949 10.513 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.324 11.896 -4.518 1.00 0.00 H new ATOM 1272 N ASN A 82 17.332 10.338 -6.749 1.00 0.00 N ATOM 1273 CA ASN A 82 16.260 9.970 -7.724 1.00 0.00 C ATOM 1274 C ASN A 82 15.413 8.835 -7.146 1.00 0.00 C ATOM 1275 O ASN A 82 15.730 7.672 -7.299 1.00 0.00 O ATOM 1276 CB ASN A 82 16.883 9.516 -9.053 1.00 0.00 C ATOM 1277 CG ASN A 82 18.319 9.030 -8.831 1.00 0.00 C ATOM 1278 OD1 ASN A 82 19.245 9.546 -9.425 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.547 8.054 -7.996 1.00 0.00 N ATOM 0 H ASN A 82 18.253 10.500 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 82 15.633 10.843 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.284 8.716 -9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.878 10.341 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.501 7.726 -7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.772 7.619 -7.496 1.00 0.00 H new ATOM 1286 N LYS A 83 14.341 9.165 -6.479 1.00 0.00 N ATOM 1287 CA LYS A 83 13.477 8.112 -5.878 1.00 0.00 C ATOM 1288 C LYS A 83 13.304 6.952 -6.851 1.00 0.00 C ATOM 1289 O LYS A 83 13.213 7.134 -8.049 1.00 0.00 O ATOM 1290 CB LYS A 83 12.110 8.695 -5.546 1.00 0.00 C ATOM 1291 CG LYS A 83 12.209 9.494 -4.249 1.00 0.00 C ATOM 1292 CD LYS A 83 12.238 10.987 -4.570 1.00 0.00 C ATOM 1293 CE LYS A 83 11.003 11.664 -3.971 1.00 0.00 C ATOM 1294 NZ LYS A 83 11.280 12.039 -2.556 1.00 0.00 N ATOM 0 H LYS A 83 14.026 10.123 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 83 13.953 7.749 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.768 9.337 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.376 7.896 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.360 9.267 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.109 9.211 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.144 11.439 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.260 11.137 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.745 12.551 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.147 10.991 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.441 12.499 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.507 11.184 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.086 12.696 -2.522 1.00 0.00 H new ATOM 1308 N THR A 84 13.234 5.761 -6.337 1.00 0.00 N ATOM 1309 CA THR A 84 13.036 4.575 -7.220 1.00 0.00 C ATOM 1310 C THR A 84 11.749 3.878 -6.805 1.00 0.00 C ATOM 1311 O THR A 84 11.460 3.730 -5.632 1.00 0.00 O ATOM 1312 CB THR A 84 14.208 3.595 -7.092 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.737 2.276 -7.326 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.806 3.677 -5.694 1.00 0.00 C ATOM 0 H THR A 84 13.305 5.553 -5.341 1.00 0.00 H new ATOM 0 HA THR A 84 12.980 4.906 -8.257 1.00 0.00 H new ATOM 0 HB THR A 84 14.975 3.852 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 84 13.496 1.858 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.638 2.977 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.164 4.690 -5.510 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.044 3.423 -4.957 1.00 0.00 H new ATOM 1322 N MET A 85 10.961 3.460 -7.748 1.00 0.00 N ATOM 1323 CA MET A 85 9.689 2.792 -7.381 1.00 0.00 C ATOM 1324 C MET A 85 9.766 1.303 -7.709 1.00 0.00 C ATOM 1325 O MET A 85 10.745 0.819 -8.243 1.00 0.00 O ATOM 1326 CB MET A 85 8.528 3.443 -8.147 1.00 0.00 C ATOM 1327 CG MET A 85 8.438 2.868 -9.558 1.00 0.00 C ATOM 1328 SD MET A 85 6.934 3.462 -10.361 1.00 0.00 S ATOM 1329 CE MET A 85 6.157 1.840 -10.551 1.00 0.00 C ATOM 0 H MET A 85 11.140 3.550 -8.748 1.00 0.00 H new ATOM 0 HA MET A 85 9.519 2.904 -6.310 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.591 3.272 -7.616 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.674 4.522 -8.195 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.312 3.163 -10.138 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.435 1.779 -9.518 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.188 1.955 -11.037 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.795 1.200 -11.161 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.019 1.386 -9.570 1.00 0.00 H new ATOM 1339 N VAL A 86 8.732 0.577 -7.398 1.00 0.00 N ATOM 1340 CA VAL A 86 8.728 -0.877 -7.692 1.00 0.00 C ATOM 1341 C VAL A 86 8.327 -1.094 -9.154 1.00 0.00 C ATOM 1342 O VAL A 86 7.518 -0.373 -9.702 1.00 0.00 O ATOM 1343 CB VAL A 86 7.725 -1.574 -6.769 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.413 -2.974 -7.303 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.325 -1.688 -5.365 1.00 0.00 C ATOM 0 H VAL A 86 7.886 0.931 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 86 9.721 -1.293 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 86 6.805 -0.991 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.699 -3.465 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.987 -2.895 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.331 -3.560 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.614 -2.184 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.246 -2.270 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.543 -0.692 -4.981 1.00 0.00 H new ATOM 1355 N ARG A 87 8.885 -2.087 -9.783 1.00 0.00 N ATOM 1356 CA ARG A 87 8.537 -2.371 -11.203 1.00 0.00 C ATOM 1357 C ARG A 87 8.343 -3.879 -11.359 1.00 0.00 C ATOM 1358 O ARG A 87 8.370 -4.616 -10.394 1.00 0.00 O ATOM 1359 CB ARG A 87 9.668 -1.910 -12.125 1.00 0.00 C ATOM 1360 CG ARG A 87 10.234 -0.584 -11.619 1.00 0.00 C ATOM 1361 CD ARG A 87 9.261 0.541 -11.966 1.00 0.00 C ATOM 1362 NE ARG A 87 10.023 1.783 -12.272 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.934 2.328 -13.455 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.864 2.999 -13.785 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.914 2.203 -14.308 1.00 0.00 N ATOM 0 H ARG A 87 9.572 -2.719 -9.373 1.00 0.00 H new ATOM 0 HA ARG A 87 7.625 -1.838 -11.471 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.455 -2.664 -12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.296 -1.793 -13.143 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.388 -0.628 -10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.207 -0.393 -12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.651 0.256 -12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.580 0.716 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 87 10.614 2.208 -11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.098 3.097 -13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.794 3.425 -14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.750 1.679 -14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.843 2.629 -15.232 1.00 0.00 H new ATOM 1379 N PHE A 88 8.158 -4.352 -12.559 1.00 0.00 N ATOM 1380 CA PHE A 88 7.978 -5.818 -12.745 1.00 0.00 C ATOM 1381 C PHE A 88 8.661 -6.268 -14.034 1.00 0.00 C ATOM 1382 O PHE A 88 8.475 -5.688 -15.085 1.00 0.00 O ATOM 1383 CB PHE A 88 6.490 -6.158 -12.823 1.00 0.00 C ATOM 1384 CG PHE A 88 6.342 -7.647 -13.022 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.569 -8.521 -11.951 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.987 -8.156 -14.277 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.441 -9.902 -12.134 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.857 -9.538 -14.460 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.085 -10.411 -13.388 1.00 0.00 C ATOM 0 H PHE A 88 8.124 -3.793 -13.412 1.00 0.00 H new ATOM 0 HA PHE A 88 8.425 -6.334 -11.895 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.983 -5.847 -11.909 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.022 -5.619 -13.647 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.843 -8.128 -10.983 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.814 -7.483 -15.104 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.617 -10.575 -11.308 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.581 -9.931 -15.427 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.986 -11.477 -13.530 1.00 0.00 H new ATOM 1399 N SER A 89 9.443 -7.308 -13.960 1.00 0.00 N ATOM 1400 CA SER A 89 10.131 -7.813 -15.178 1.00 0.00 C ATOM 1401 C SER A 89 9.479 -9.129 -15.604 1.00 0.00 C ATOM 1402 O SER A 89 9.244 -10.004 -14.793 1.00 0.00 O ATOM 1403 CB SER A 89 11.610 -8.052 -14.871 1.00 0.00 C ATOM 1404 OG SER A 89 11.924 -7.482 -13.606 1.00 0.00 O ATOM 0 H SER A 89 9.635 -7.831 -13.106 1.00 0.00 H new ATOM 0 HA SER A 89 10.046 -7.080 -15.980 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.824 -9.121 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.231 -7.607 -15.648 1.00 0.00 H new ATOM 0 HG SER A 89 12.078 -6.520 -13.710 1.00 0.00 H new ATOM 1410 N ARG A 90 9.182 -9.279 -16.865 1.00 0.00 N ATOM 1411 CA ARG A 90 8.542 -10.540 -17.329 1.00 0.00 C ATOM 1412 C ARG A 90 9.632 -11.543 -17.704 1.00 0.00 C ATOM 1413 O ARG A 90 9.388 -12.729 -17.809 1.00 0.00 O ATOM 1414 CB ARG A 90 7.665 -10.252 -18.547 1.00 0.00 C ATOM 1415 CG ARG A 90 6.286 -10.886 -18.346 1.00 0.00 C ATOM 1416 CD ARG A 90 5.584 -11.022 -19.698 1.00 0.00 C ATOM 1417 NE ARG A 90 5.520 -9.689 -20.361 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.482 -9.371 -21.085 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.292 -9.353 -20.549 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.634 -9.069 -22.346 1.00 0.00 N ATOM 0 H ARG A 90 9.354 -8.585 -17.592 1.00 0.00 H new ATOM 0 HA ARG A 90 7.922 -10.953 -16.533 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.565 -9.176 -18.690 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.132 -10.651 -19.447 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.389 -11.865 -17.878 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.687 -10.272 -17.673 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.122 -11.729 -20.330 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.579 -11.420 -19.559 1.00 0.00 H new ATOM 0 HE ARG A 90 6.287 -9.026 -20.249 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.173 -9.588 -19.564 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.481 -9.104 -21.116 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.564 -9.082 -22.765 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.823 -8.820 -22.912 1.00 0.00 H new ATOM 1434 N LYS A 91 10.835 -11.079 -17.898 1.00 0.00 N ATOM 1435 CA LYS A 91 11.940 -12.009 -18.253 1.00 0.00 C ATOM 1436 C LYS A 91 12.160 -12.980 -17.093 1.00 0.00 C ATOM 1437 O LYS A 91 12.653 -14.076 -17.271 1.00 0.00 O ATOM 1438 CB LYS A 91 13.222 -11.210 -18.500 1.00 0.00 C ATOM 1439 CG LYS A 91 13.169 -10.575 -19.891 1.00 0.00 C ATOM 1440 CD LYS A 91 12.147 -9.436 -19.894 1.00 0.00 C ATOM 1441 CE LYS A 91 12.518 -8.414 -18.819 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.612 -7.059 -19.434 1.00 0.00 N ATOM 0 H LYS A 91 11.100 -10.097 -17.826 1.00 0.00 H new ATOM 0 HA LYS A 91 11.682 -12.562 -19.156 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.333 -10.437 -17.740 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.091 -11.863 -18.420 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.153 -10.196 -20.167 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.896 -11.324 -20.634 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.123 -8.957 -20.873 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.148 -9.829 -19.707 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.769 -8.415 -18.027 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.469 -8.683 -18.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.864 -6.363 -18.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.342 -7.064 -20.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.695 -6.804 -19.853 1.00 0.00 H new ATOM 1456 N THR A 92 11.795 -12.583 -15.906 1.00 0.00 N ATOM 1457 CA THR A 92 11.979 -13.479 -14.730 1.00 0.00 C ATOM 1458 C THR A 92 10.726 -13.435 -13.851 1.00 0.00 C ATOM 1459 O THR A 92 10.679 -14.034 -12.795 1.00 0.00 O ATOM 1460 CB THR A 92 13.184 -13.008 -13.913 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.146 -11.593 -13.790 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.475 -13.425 -14.618 1.00 0.00 C ATOM 0 H THR A 92 11.377 -11.676 -15.699 1.00 0.00 H new ATOM 0 HA THR A 92 12.147 -14.499 -15.076 1.00 0.00 H new ATOM 0 HB THR A 92 13.151 -13.461 -12.922 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.916 -11.289 -13.265 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.333 -13.089 -14.035 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.503 -14.510 -14.713 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.510 -12.973 -15.609 1.00 0.00 H new ATOM 1470 N LYS A 93 9.713 -12.730 -14.274 1.00 0.00 N ATOM 1471 CA LYS A 93 8.473 -12.649 -13.454 1.00 0.00 C ATOM 1472 C LYS A 93 8.841 -12.266 -12.019 1.00 0.00 C ATOM 1473 O LYS A 93 8.528 -12.969 -11.080 1.00 0.00 O ATOM 1474 CB LYS A 93 7.770 -14.008 -13.455 1.00 0.00 C ATOM 1475 CG LYS A 93 7.313 -14.345 -14.876 1.00 0.00 C ATOM 1476 CD LYS A 93 8.110 -15.541 -15.399 1.00 0.00 C ATOM 1477 CE LYS A 93 7.145 -16.624 -15.885 1.00 0.00 C ATOM 1478 NZ LYS A 93 7.302 -16.804 -17.356 1.00 0.00 N ATOM 0 H LYS A 93 9.691 -12.208 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 93 7.806 -11.896 -13.874 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.446 -14.779 -13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.913 -13.987 -12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.247 -14.574 -14.882 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.458 -13.485 -15.529 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.763 -15.228 -16.214 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.751 -15.937 -14.611 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.346 -17.563 -15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.118 -16.344 -15.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.646 -17.540 -17.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.090 -15.908 -17.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.279 -17.090 -17.568 1.00 0.00 H new ATOM 1492 N GLN A 94 9.511 -11.158 -11.842 1.00 0.00 N ATOM 1493 CA GLN A 94 9.901 -10.739 -10.466 1.00 0.00 C ATOM 1494 C GLN A 94 9.665 -9.237 -10.295 1.00 0.00 C ATOM 1495 O GLN A 94 9.073 -8.590 -11.137 1.00 0.00 O ATOM 1496 CB GLN A 94 11.382 -11.050 -10.239 1.00 0.00 C ATOM 1497 CG GLN A 94 11.592 -12.565 -10.230 1.00 0.00 C ATOM 1498 CD GLN A 94 13.059 -12.885 -10.528 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.385 -13.990 -10.916 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.966 -11.960 -10.360 1.00 0.00 N ATOM 0 H GLN A 94 9.804 -10.528 -12.589 1.00 0.00 H new ATOM 0 HA GLN A 94 9.297 -11.283 -9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.984 -10.594 -11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.713 -10.621 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.310 -12.975 -9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.949 -13.035 -10.974 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.694 -11.032 -10.035 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.946 -12.165 -10.554 1.00 0.00 H new ATOM 1509 N GLN A 95 10.124 -8.677 -9.207 1.00 0.00 N ATOM 1510 CA GLN A 95 9.927 -7.218 -8.977 1.00 0.00 C ATOM 1511 C GLN A 95 11.272 -6.491 -9.070 1.00 0.00 C ATOM 1512 O GLN A 95 12.215 -6.819 -8.377 1.00 0.00 O ATOM 1513 CB GLN A 95 9.331 -6.992 -7.584 1.00 0.00 C ATOM 1514 CG GLN A 95 7.984 -6.278 -7.711 1.00 0.00 C ATOM 1515 CD GLN A 95 7.019 -7.149 -8.517 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.372 -8.227 -8.950 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.805 -6.723 -8.735 1.00 0.00 N ATOM 0 H GLN A 95 10.627 -9.168 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 95 9.248 -6.828 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.201 -7.946 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.014 -6.397 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.571 -6.079 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.116 -5.314 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.509 -5.817 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.152 -7.296 -9.269 1.00 0.00 H new ATOM 1526 N TYR A 96 11.361 -5.497 -9.911 1.00 0.00 N ATOM 1527 CA TYR A 96 12.639 -4.739 -10.037 1.00 0.00 C ATOM 1528 C TYR A 96 12.353 -3.252 -9.802 1.00 0.00 C ATOM 1529 O TYR A 96 11.398 -2.710 -10.311 1.00 0.00 O ATOM 1530 CB TYR A 96 13.236 -4.959 -11.435 1.00 0.00 C ATOM 1531 CG TYR A 96 12.536 -4.091 -12.454 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.966 -2.776 -12.667 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.464 -4.605 -13.195 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.325 -1.975 -13.619 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.823 -3.804 -14.146 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.254 -2.488 -14.359 1.00 0.00 C ATOM 1537 OH TYR A 96 10.622 -1.699 -15.299 1.00 0.00 O ATOM 0 H TYR A 96 10.605 -5.177 -10.516 1.00 0.00 H new ATOM 0 HA TYR A 96 13.359 -5.090 -9.298 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.301 -4.727 -11.422 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.141 -6.008 -11.716 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.793 -2.379 -12.096 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.132 -5.620 -13.032 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.657 -0.960 -13.783 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.996 -4.200 -14.716 1.00 0.00 H new ATOM 0 HH TYR A 96 9.901 -2.209 -15.723 1.00 0.00 H new ATOM 1547 N VAL A 97 13.166 -2.590 -9.028 1.00 0.00 N ATOM 1548 CA VAL A 97 12.915 -1.136 -8.762 1.00 0.00 C ATOM 1549 C VAL A 97 13.620 -0.286 -9.814 1.00 0.00 C ATOM 1550 O VAL A 97 14.454 -0.761 -10.557 1.00 0.00 O ATOM 1551 CB VAL A 97 13.433 -0.730 -7.371 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.252 -0.564 -6.419 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.384 -1.790 -6.809 1.00 0.00 C ATOM 0 H VAL A 97 13.988 -2.983 -8.569 1.00 0.00 H new ATOM 0 HA VAL A 97 11.838 -0.970 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 97 13.976 0.210 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.617 -0.276 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.585 0.210 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.710 -1.507 -6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.736 -1.479 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.858 -2.741 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.236 -1.906 -7.479 1.00 0.00 H new ATOM 1563 N SER A 98 13.284 0.973 -9.882 1.00 0.00 N ATOM 1564 CA SER A 98 13.930 1.866 -10.881 1.00 0.00 C ATOM 1565 C SER A 98 13.958 3.304 -10.345 1.00 0.00 C ATOM 1566 O SER A 98 12.932 3.900 -10.085 1.00 0.00 O ATOM 1567 CB SER A 98 13.142 1.813 -12.188 1.00 0.00 C ATOM 1568 OG SER A 98 13.884 1.080 -13.154 1.00 0.00 O ATOM 0 H SER A 98 12.588 1.421 -9.286 1.00 0.00 H new ATOM 0 HA SER A 98 14.953 1.535 -11.062 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.173 1.342 -12.023 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.948 2.823 -12.551 1.00 0.00 H new ATOM 0 HG SER A 98 14.816 1.382 -13.148 1.00 0.00 H new ATOM 1574 N SER A 99 15.128 3.863 -10.178 1.00 0.00 N ATOM 1575 CA SER A 99 15.238 5.259 -9.660 1.00 0.00 C ATOM 1576 C SER A 99 14.753 6.242 -10.727 1.00 0.00 C ATOM 1577 O SER A 99 15.530 6.752 -11.509 1.00 0.00 O ATOM 1578 CB SER A 99 16.699 5.559 -9.324 1.00 0.00 C ATOM 1579 OG SER A 99 17.280 4.424 -8.695 1.00 0.00 O ATOM 0 H SER A 99 16.019 3.409 -10.380 1.00 0.00 H new ATOM 0 HA SER A 99 14.625 5.363 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.249 5.807 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.762 6.426 -8.666 1.00 0.00 H new ATOM 0 HG SER A 99 17.526 3.763 -9.375 1.00 0.00 H new ATOM 1585 N GLU A 100 13.479 6.512 -10.770 1.00 0.00 N ATOM 1586 CA GLU A 100 12.956 7.463 -11.793 1.00 0.00 C ATOM 1587 C GLU A 100 12.986 8.886 -11.230 1.00 0.00 C ATOM 1588 O GLU A 100 12.699 9.111 -10.072 1.00 0.00 O ATOM 1589 CB GLU A 100 11.517 7.088 -12.152 1.00 0.00 C ATOM 1590 CG GLU A 100 11.442 5.592 -12.467 1.00 0.00 C ATOM 1591 CD GLU A 100 10.526 4.902 -11.455 1.00 0.00 C ATOM 1592 OE1 GLU A 100 10.846 4.934 -10.278 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.520 4.354 -11.874 1.00 0.00 O ATOM 0 H GLU A 100 12.778 6.117 -10.143 1.00 0.00 H new ATOM 0 HA GLU A 100 13.578 7.412 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.850 7.330 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.182 7.669 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.063 5.441 -13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.438 5.152 -12.431 1.00 0.00 H new ATOM 1600 N LYS A 101 13.333 9.847 -12.042 1.00 0.00 N ATOM 1601 CA LYS A 101 13.382 11.252 -11.555 1.00 0.00 C ATOM 1602 C LYS A 101 12.097 11.986 -11.948 1.00 0.00 C ATOM 1603 O LYS A 101 11.982 12.517 -13.034 1.00 0.00 O ATOM 1604 CB LYS A 101 14.578 11.961 -12.163 1.00 0.00 C ATOM 1605 CG LYS A 101 15.478 12.408 -11.019 1.00 0.00 C ATOM 1606 CD LYS A 101 16.016 13.802 -11.311 1.00 0.00 C ATOM 1607 CE LYS A 101 17.515 13.728 -11.601 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.075 15.107 -11.683 1.00 0.00 N ATOM 0 H LYS A 101 13.585 9.718 -13.022 1.00 0.00 H new ATOM 0 HA LYS A 101 13.475 11.250 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.117 11.294 -12.836 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.255 12.818 -12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.920 12.411 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.303 11.707 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.492 14.233 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.833 14.458 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.020 13.165 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.689 13.197 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.095 15.056 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.600 15.630 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.921 15.598 -10.779 1.00 0.00 H new ATOM 1622 N ASP A 102 11.131 12.020 -11.071 1.00 0.00 N ATOM 1623 CA ASP A 102 9.856 12.719 -11.395 1.00 0.00 C ATOM 1624 C ASP A 102 9.059 11.892 -12.407 1.00 0.00 C ATOM 1625 O ASP A 102 8.015 12.304 -12.872 1.00 0.00 O ATOM 1626 CB ASP A 102 10.166 14.093 -11.990 1.00 0.00 C ATOM 1627 CG ASP A 102 9.433 15.174 -11.192 1.00 0.00 C ATOM 1628 OD1 ASP A 102 9.933 15.550 -10.145 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.386 15.607 -11.644 1.00 0.00 O ATOM 0 H ASP A 102 11.170 11.594 -10.145 1.00 0.00 H new ATOM 0 HA ASP A 102 9.268 12.840 -10.485 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.240 14.276 -11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.858 14.126 -13.035 1.00 0.00 H new ATOM 1634 N GLY A 103 9.540 10.728 -12.750 1.00 0.00 N ATOM 1635 CA GLY A 103 8.805 9.879 -13.731 1.00 0.00 C ATOM 1636 C GLY A 103 9.467 9.992 -15.106 1.00 0.00 C ATOM 1637 O GLY A 103 8.975 9.469 -16.086 1.00 0.00 O ATOM 0 H GLY A 103 10.409 10.329 -12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.806 8.840 -13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.763 10.194 -13.791 1.00 0.00 H new ATOM 1641 N LYS A 104 10.579 10.671 -15.188 1.00 0.00 N ATOM 1642 CA LYS A 104 11.268 10.814 -16.502 1.00 0.00 C ATOM 1643 C LYS A 104 12.292 9.689 -16.666 1.00 0.00 C ATOM 1644 O LYS A 104 13.206 9.780 -17.461 1.00 0.00 O ATOM 1645 CB LYS A 104 11.982 12.167 -16.558 1.00 0.00 C ATOM 1646 CG LYS A 104 13.206 12.139 -15.641 1.00 0.00 C ATOM 1647 CD LYS A 104 13.648 13.572 -15.335 1.00 0.00 C ATOM 1648 CE LYS A 104 14.395 14.145 -16.540 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.668 14.771 -16.083 1.00 0.00 N ATOM 0 H LYS A 104 11.039 11.132 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 104 10.534 10.757 -17.306 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.286 12.387 -17.581 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.302 12.961 -16.250 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.968 11.615 -14.715 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.018 11.591 -16.118 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.780 14.190 -15.105 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.291 13.585 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.604 13.355 -17.261 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.775 14.884 -17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.177 15.161 -16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.457 15.536 -15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.260 14.054 -15.617 1.00 0.00 H new ATOM 1663 N ALA A 105 12.148 8.630 -15.918 1.00 0.00 N ATOM 1664 CA ALA A 105 13.115 7.503 -16.032 1.00 0.00 C ATOM 1665 C ALA A 105 14.541 8.044 -15.921 1.00 0.00 C ATOM 1666 O ALA A 105 14.755 9.234 -15.800 1.00 0.00 O ATOM 1667 CB ALA A 105 12.935 6.809 -17.383 1.00 0.00 C ATOM 0 H ALA A 105 11.403 8.497 -15.234 1.00 0.00 H new ATOM 0 HA ALA A 105 12.934 6.786 -15.231 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.643 5.984 -17.466 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.918 6.424 -17.462 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.115 7.524 -18.186 1.00 0.00 H new ATOM 1673 N THR A 106 15.520 7.181 -15.960 1.00 0.00 N ATOM 1674 CA THR A 106 16.930 7.651 -15.854 1.00 0.00 C ATOM 1675 C THR A 106 17.874 6.528 -16.288 1.00 0.00 C ATOM 1676 O THR A 106 18.835 6.751 -16.999 1.00 0.00 O ATOM 1677 CB THR A 106 17.230 8.031 -14.403 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.612 7.093 -13.535 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.686 9.432 -14.115 1.00 0.00 C ATOM 0 H THR A 106 15.404 6.173 -16.061 1.00 0.00 H new ATOM 0 HA THR A 106 17.074 8.519 -16.497 1.00 0.00 H new ATOM 0 HB THR A 106 18.308 8.024 -14.240 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.228 7.563 -12.766 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.901 9.700 -13.081 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.161 10.151 -14.783 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.608 9.444 -14.276 1.00 0.00 H new ATOM 1687 N GLY A 107 17.611 5.324 -15.865 1.00 0.00 N ATOM 1688 CA GLY A 107 18.493 4.186 -16.250 1.00 0.00 C ATOM 1689 C GLY A 107 18.738 3.299 -15.028 1.00 0.00 C ATOM 1690 O GLY A 107 19.188 2.177 -15.143 1.00 0.00 O ATOM 0 H GLY A 107 16.822 5.077 -15.268 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.029 3.606 -17.048 1.00 0.00 H new ATOM 0 HA3 GLY A 107 19.440 4.560 -16.638 1.00 0.00 H new ATOM 1694 N TRP A 108 18.444 3.795 -13.857 1.00 0.00 N ATOM 1695 CA TRP A 108 18.658 2.982 -12.627 1.00 0.00 C ATOM 1696 C TRP A 108 17.516 1.978 -12.476 1.00 0.00 C ATOM 1697 O TRP A 108 16.361 2.344 -12.380 1.00 0.00 O ATOM 1698 CB TRP A 108 18.685 3.902 -11.407 1.00 0.00 C ATOM 1699 CG TRP A 108 19.373 3.207 -10.274 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.659 3.411 -9.909 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.841 2.206 -9.356 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.950 2.604 -8.823 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.862 1.843 -8.445 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.586 1.584 -9.224 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.645 0.900 -7.440 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.366 0.634 -8.214 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.393 0.294 -7.324 1.00 0.00 C ATOM 0 H TRP A 108 18.065 4.729 -13.699 1.00 0.00 H new ATOM 0 HA TRP A 108 19.606 2.449 -12.705 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.205 4.829 -11.649 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.669 4.172 -11.119 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.347 4.093 -10.387 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.858 2.575 -8.359 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.787 1.839 -9.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.440 0.641 -6.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.399 0.162 -8.123 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.216 -0.437 -6.549 1.00 0.00 H new ATOM 1718 N SER A 109 17.828 0.713 -12.452 1.00 0.00 N ATOM 1719 CA SER A 109 16.762 -0.315 -12.303 1.00 0.00 C ATOM 1720 C SER A 109 17.326 -1.510 -11.526 1.00 0.00 C ATOM 1721 O SER A 109 18.069 -2.309 -12.059 1.00 0.00 O ATOM 1722 CB SER A 109 16.303 -0.779 -13.686 1.00 0.00 C ATOM 1723 OG SER A 109 17.172 -1.803 -14.152 1.00 0.00 O ATOM 0 H SER A 109 18.777 0.346 -12.529 1.00 0.00 H new ATOM 0 HA SER A 109 15.914 0.109 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.279 -1.150 -13.636 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.305 0.060 -14.382 1.00 0.00 H new ATOM 0 HG SER A 109 18.026 -1.750 -13.674 1.00 0.00 H new ATOM 1729 N ALA A 110 16.989 -1.635 -10.271 1.00 0.00 N ATOM 1730 CA ALA A 110 17.521 -2.776 -9.474 1.00 0.00 C ATOM 1731 C ALA A 110 16.584 -3.976 -9.594 1.00 0.00 C ATOM 1732 O ALA A 110 15.412 -3.838 -9.882 1.00 0.00 O ATOM 1733 CB ALA A 110 17.634 -2.368 -8.004 1.00 0.00 C ATOM 0 H ALA A 110 16.371 -1.000 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 110 18.505 -3.047 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.023 -3.204 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.310 -1.517 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.650 -2.091 -7.627 1.00 0.00 H new ATOM 1739 N PHE A 111 17.096 -5.154 -9.376 1.00 0.00 N ATOM 1740 CA PHE A 111 16.244 -6.373 -9.475 1.00 0.00 C ATOM 1741 C PHE A 111 16.302 -7.149 -8.159 1.00 0.00 C ATOM 1742 O PHE A 111 17.332 -7.244 -7.529 1.00 0.00 O ATOM 1743 CB PHE A 111 16.753 -7.267 -10.611 1.00 0.00 C ATOM 1744 CG PHE A 111 17.086 -6.421 -11.816 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.363 -5.865 -11.947 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.120 -6.198 -12.803 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.675 -5.084 -13.065 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.431 -5.417 -13.922 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.709 -4.860 -14.053 1.00 0.00 C ATOM 0 H PHE A 111 18.071 -5.327 -9.133 1.00 0.00 H new ATOM 0 HA PHE A 111 15.215 -6.075 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.636 -7.817 -10.286 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.996 -8.006 -10.872 1.00 0.00 H new ATOM 0 HD1 PHE A 111 19.108 -6.039 -11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.135 -6.628 -12.702 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.661 -4.654 -13.166 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.686 -5.244 -14.684 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.949 -4.257 -14.916 1.00 0.00 H new ATOM 1759 N TYR A 112 15.202 -7.707 -7.738 1.00 0.00 N ATOM 1760 CA TYR A 112 15.202 -8.476 -6.464 1.00 0.00 C ATOM 1761 C TYR A 112 15.560 -9.935 -6.751 1.00 0.00 C ATOM 1762 O TYR A 112 14.760 -10.687 -7.270 1.00 0.00 O ATOM 1763 CB TYR A 112 13.811 -8.411 -5.831 1.00 0.00 C ATOM 1764 CG TYR A 112 13.887 -8.869 -4.394 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.763 -8.239 -3.503 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.077 -9.923 -3.953 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.830 -8.661 -2.171 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.145 -10.346 -2.620 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.022 -9.713 -1.729 1.00 0.00 C ATOM 1770 OH TYR A 112 14.087 -10.129 -0.414 1.00 0.00 O ATOM 0 H TYR A 112 14.304 -7.664 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 112 15.935 -8.048 -5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.426 -7.392 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.117 -9.041 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.388 -7.427 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.401 -10.409 -4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.506 -8.174 -1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.522 -11.160 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 112 13.850 -9.384 0.177 1.00 0.00 H new ATOM 1780 N VAL A 113 16.752 -10.348 -6.412 1.00 0.00 N ATOM 1781 CA VAL A 113 17.142 -11.756 -6.661 1.00 0.00 C ATOM 1782 C VAL A 113 16.761 -12.577 -5.429 1.00 0.00 C ATOM 1783 O VAL A 113 15.785 -12.290 -4.774 1.00 0.00 O ATOM 1784 CB VAL A 113 18.652 -11.851 -6.920 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.951 -13.117 -7.725 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.130 -10.633 -7.723 1.00 0.00 C ATOM 0 H VAL A 113 17.468 -9.768 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 113 16.627 -12.140 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 113 19.171 -11.881 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.023 -13.186 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.623 -13.991 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.421 -13.077 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.203 -10.712 -7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.606 -10.598 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.921 -9.722 -7.162 1.00 0.00 H new ATOM 1796 N ASP A 114 17.533 -13.561 -5.079 1.00 0.00 N ATOM 1797 CA ASP A 114 17.199 -14.364 -3.866 1.00 0.00 C ATOM 1798 C ASP A 114 17.428 -13.462 -2.675 1.00 0.00 C ATOM 1799 O ASP A 114 18.512 -13.414 -2.127 1.00 0.00 O ATOM 1800 CB ASP A 114 18.115 -15.588 -3.780 1.00 0.00 C ATOM 1801 CG ASP A 114 17.644 -16.649 -4.777 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.488 -17.030 -4.705 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.449 -17.062 -5.596 1.00 0.00 O ATOM 0 H ASP A 114 18.378 -13.847 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 114 16.169 -14.719 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.144 -15.301 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.104 -15.994 -2.768 1.00 0.00 H new ATOM 1808 N GLY A 115 16.446 -12.682 -2.309 1.00 0.00 N ATOM 1809 CA GLY A 115 16.677 -11.723 -1.204 1.00 0.00 C ATOM 1810 C GLY A 115 17.960 -10.986 -1.571 1.00 0.00 C ATOM 1811 O GLY A 115 18.705 -10.531 -0.727 1.00 0.00 O ATOM 0 H GLY A 115 15.513 -12.670 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.841 -11.031 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.780 -12.240 -0.250 1.00 0.00 H new ATOM 1815 N LYS A 116 18.238 -10.919 -2.858 1.00 0.00 N ATOM 1816 CA LYS A 116 19.495 -10.271 -3.314 1.00 0.00 C ATOM 1817 C LYS A 116 19.208 -9.164 -4.331 1.00 0.00 C ATOM 1818 O LYS A 116 19.400 -9.344 -5.516 1.00 0.00 O ATOM 1819 CB LYS A 116 20.387 -11.325 -3.974 1.00 0.00 C ATOM 1820 CG LYS A 116 21.585 -11.622 -3.069 1.00 0.00 C ATOM 1821 CD LYS A 116 21.105 -11.837 -1.632 1.00 0.00 C ATOM 1822 CE LYS A 116 21.877 -12.997 -1.004 1.00 0.00 C ATOM 1823 NZ LYS A 116 21.462 -14.276 -1.646 1.00 0.00 N ATOM 0 H LYS A 116 17.644 -11.287 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 116 19.990 -9.830 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.818 -12.237 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.731 -10.969 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.110 -12.509 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.295 -10.795 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.254 -10.929 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.036 -12.050 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.949 -12.845 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.685 -13.037 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 21.567 -15.056 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 20.468 -14.208 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.061 -14.458 -2.476 1.00 0.00 H new ATOM 1837 N TRP A 117 18.776 -8.014 -3.892 1.00 0.00 N ATOM 1838 CA TRP A 117 18.519 -6.921 -4.868 1.00 0.00 C ATOM 1839 C TRP A 117 19.751 -6.771 -5.764 1.00 0.00 C ATOM 1840 O TRP A 117 20.805 -7.299 -5.472 1.00 0.00 O ATOM 1841 CB TRP A 117 18.260 -5.610 -4.127 1.00 0.00 C ATOM 1842 CG TRP A 117 16.807 -5.504 -3.800 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.286 -5.599 -2.556 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.681 -5.287 -4.702 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.913 -5.459 -2.635 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.491 -5.263 -3.934 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.575 -5.113 -6.095 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.242 -5.073 -4.527 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.322 -4.921 -6.692 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.157 -4.899 -5.911 1.00 0.00 C ATOM 0 H TRP A 117 18.592 -7.787 -2.915 1.00 0.00 H new ATOM 0 HA TRP A 117 17.643 -7.161 -5.470 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.853 -5.572 -3.213 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.568 -4.765 -4.742 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.850 -5.758 -1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.287 -5.496 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.465 -5.128 -6.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.348 -5.061 -3.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.253 -4.789 -7.762 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.195 -4.748 -6.379 1.00 0.00 H new ATOM 1861 N VAL A 118 19.631 -6.064 -6.850 1.00 0.00 N ATOM 1862 CA VAL A 118 20.804 -5.894 -7.759 1.00 0.00 C ATOM 1863 C VAL A 118 20.698 -4.544 -8.467 1.00 0.00 C ATOM 1864 O VAL A 118 19.712 -3.845 -8.346 1.00 0.00 O ATOM 1865 CB VAL A 118 20.830 -7.019 -8.805 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.861 -8.069 -8.406 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.460 -7.687 -8.894 1.00 0.00 C ATOM 0 H VAL A 118 18.776 -5.596 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 118 21.722 -5.935 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 118 21.090 -6.588 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.876 -8.865 -9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.847 -7.607 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.598 -8.486 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.491 -8.483 -9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.197 -8.108 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.713 -6.948 -9.183 1.00 0.00 H new ATOM 1877 N GLU A 119 21.707 -4.169 -9.205 1.00 0.00 N ATOM 1878 CA GLU A 119 21.662 -2.861 -9.919 1.00 0.00 C ATOM 1879 C GLU A 119 22.228 -3.031 -11.330 1.00 0.00 C ATOM 1880 O GLU A 119 23.425 -3.103 -11.524 1.00 0.00 O ATOM 1881 CB GLU A 119 22.497 -1.834 -9.152 1.00 0.00 C ATOM 1882 CG GLU A 119 21.881 -1.601 -7.772 1.00 0.00 C ATOM 1883 CD GLU A 119 22.496 -2.576 -6.767 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.126 -3.526 -7.203 1.00 0.00 O ATOM 1885 OE2 GLU A 119 22.325 -2.359 -5.579 1.00 0.00 O ATOM 0 H GLU A 119 22.560 -4.711 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 119 20.630 -2.515 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.523 -2.188 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.538 -0.896 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.057 -0.574 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.801 -1.741 -7.816 1.00 0.00 H new ATOM 1892 N GLY A 120 21.377 -3.095 -12.318 1.00 0.00 N ATOM 1893 CA GLY A 120 21.867 -3.260 -13.715 1.00 0.00 C ATOM 1894 C GLY A 120 21.869 -1.904 -14.421 1.00 0.00 C ATOM 1895 O GLY A 120 20.860 -1.454 -14.926 1.00 0.00 O ATOM 0 H GLY A 120 20.363 -3.040 -12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.872 -3.681 -13.711 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.230 -3.961 -14.254 1.00 0.00 H new ATOM 1899 N LYS A 121 22.997 -1.247 -14.461 1.00 0.00 N ATOM 1900 CA LYS A 121 23.062 0.080 -15.135 1.00 0.00 C ATOM 1901 C LYS A 121 22.770 -0.091 -16.627 1.00 0.00 C ATOM 1902 O LYS A 121 23.183 -1.053 -17.245 1.00 0.00 O ATOM 1903 CB LYS A 121 24.459 0.676 -14.954 1.00 0.00 C ATOM 1904 CG LYS A 121 25.511 -0.346 -15.391 1.00 0.00 C ATOM 1905 CD LYS A 121 26.805 0.380 -15.764 1.00 0.00 C ATOM 1906 CE LYS A 121 26.999 0.332 -17.281 1.00 0.00 C ATOM 1907 NZ LYS A 121 26.876 1.707 -17.842 1.00 0.00 N ATOM 0 H LYS A 121 23.875 -1.572 -14.056 1.00 0.00 H new ATOM 0 HA LYS A 121 22.322 0.748 -14.694 1.00 0.00 H new ATOM 0 HB2 LYS A 121 24.556 1.588 -15.543 1.00 0.00 H new ATOM 0 HB3 LYS A 121 24.616 0.952 -13.911 1.00 0.00 H new ATOM 0 HG2 LYS A 121 25.699 -1.056 -14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 121 25.145 -0.919 -16.243 1.00 0.00 H new ATOM 0 HD2 LYS A 121 26.764 1.415 -15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.653 -0.087 -15.263 1.00 0.00 H new ATOM 0 HE2 LYS A 121 27.978 -0.083 -17.520 1.00 0.00 H new ATOM 0 HE3 LYS A 121 26.255 -0.324 -17.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 27.008 1.674 -18.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 25.932 2.087 -17.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 27.602 2.321 -17.419 1.00 0.00 H new ATOM 1921 N LYS A 122 22.059 0.835 -17.213 1.00 0.00 N ATOM 1922 CA LYS A 122 21.742 0.723 -18.664 1.00 0.00 C ATOM 1923 C LYS A 122 22.359 1.906 -19.413 1.00 0.00 C ATOM 1924 O LYS A 122 22.225 1.949 -20.625 1.00 0.00 O ATOM 1925 CB LYS A 122 20.224 0.733 -18.856 1.00 0.00 C ATOM 1926 CG LYS A 122 19.813 -0.443 -19.744 1.00 0.00 C ATOM 1927 CD LYS A 122 18.553 -1.096 -19.176 1.00 0.00 C ATOM 1928 CE LYS A 122 18.825 -2.575 -18.896 1.00 0.00 C ATOM 1929 NZ LYS A 122 18.693 -2.836 -17.434 1.00 0.00 N ATOM 1930 OXT LYS A 122 22.955 2.748 -18.762 1.00 0.00 O ATOM 0 H LYS A 122 21.685 1.663 -16.749 1.00 0.00 H new ATOM 0 HA LYS A 122 22.152 -0.208 -19.055 1.00 0.00 H new ATOM 0 HB2 LYS A 122 19.724 0.665 -17.890 1.00 0.00 H new ATOM 0 HB3 LYS A 122 19.911 1.673 -19.311 1.00 0.00 H new ATOM 0 HG2 LYS A 122 19.629 -0.097 -20.761 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.621 -1.172 -19.797 1.00 0.00 H new ATOM 0 HD2 LYS A 122 18.251 -0.591 -18.258 1.00 0.00 H new ATOM 0 HD3 LYS A 122 17.729 -0.994 -19.882 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.123 -3.197 -19.452 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.826 -2.842 -19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.878 -3.841 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 19.379 -2.253 -16.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 17.730 -2.596 -17.124 1.00 0.00 H new TER 1944 LYS A 122