USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 795 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 71 THR OG1 : rot 69:sc= 1.25 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.03 K(o=-2,f=-3.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.848 K(o=-0.85,f=-5.1!) USER MOD Single : A 23 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -18:sc= 0.706 USER MOD Single : A 32 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.012) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -55:sc= 0.45 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0.87 (180deg=0.853) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.161 F(o=-0.71,f=-0.16) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 172:sc= -3.04! (180deg=-3.11!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -150:sc= -0.0129 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.684 F(o=-1.8,f=-0.68) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.606 F(o=-1.6,f=-0.61) USER MOD Single : A 94 ASN : amide:sc= -0.941 K(o=-0.94,f=-1.5) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.57) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.02 F(o=-2,f=-1) USER MOD Single : A 98 MET CE :methyl -144:sc= -0.53 (180deg=-2.01!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.880 -43.634 -16.537 1.00 0.00 N ATOM 2 CA GLY A 1 13.271 -43.860 -15.239 1.00 0.00 C ATOM 3 C GLY A 1 11.763 -43.707 -15.271 1.00 0.00 C ATOM 4 O GLY A 1 11.110 -44.127 -16.225 1.00 0.00 O ATOM 0 H1 GLY A 1 14.911 -43.750 -16.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.503 -44.320 -17.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.663 -42.669 -16.859 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.524 -44.862 -14.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.689 -43.158 -14.518 1.00 0.00 H new ATOM 8 N SER A 2 11.209 -43.105 -14.223 1.00 0.00 N ATOM 9 CA SER A 2 9.767 -42.903 -14.132 1.00 0.00 C ATOM 10 C SER A 2 9.447 -41.577 -13.450 1.00 0.00 C ATOM 11 O SER A 2 10.186 -41.121 -12.577 1.00 0.00 O ATOM 12 CB SER A 2 9.117 -44.055 -13.364 1.00 0.00 C ATOM 13 OG SER A 2 7.740 -44.167 -13.682 1.00 0.00 O ATOM 0 H SER A 2 11.736 -42.749 -13.426 1.00 0.00 H new ATOM 0 HA SER A 2 9.363 -42.878 -15.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.626 -44.989 -13.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.234 -43.894 -12.292 1.00 0.00 H new ATOM 0 HG SER A 2 7.348 -44.911 -13.180 1.00 0.00 H new ATOM 19 N SER A 3 8.340 -40.963 -13.854 1.00 0.00 N ATOM 20 CA SER A 3 7.922 -39.687 -13.285 1.00 0.00 C ATOM 21 C SER A 3 6.420 -39.678 -13.016 1.00 0.00 C ATOM 22 O SER A 3 5.684 -40.531 -13.511 1.00 0.00 O ATOM 23 CB SER A 3 8.290 -38.539 -14.228 1.00 0.00 C ATOM 24 OG SER A 3 7.638 -38.677 -15.478 1.00 0.00 O ATOM 0 H SER A 3 7.716 -41.328 -14.573 1.00 0.00 H new ATOM 0 HA SER A 3 8.444 -39.551 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.014 -37.588 -13.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.369 -38.519 -14.378 1.00 0.00 H new ATOM 0 HG SER A 3 7.888 -37.931 -16.062 1.00 0.00 H new ATOM 30 N GLY A 4 5.972 -38.705 -12.228 1.00 0.00 N ATOM 31 CA GLY A 4 4.561 -38.602 -11.905 1.00 0.00 C ATOM 32 C GLY A 4 3.710 -38.297 -13.122 1.00 0.00 C ATOM 33 O GLY A 4 4.009 -38.749 -14.227 1.00 0.00 O ATOM 0 H GLY A 4 6.561 -37.986 -11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.225 -39.536 -11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.418 -37.820 -11.160 1.00 0.00 H new ATOM 37 N SER A 5 2.645 -37.528 -12.919 1.00 0.00 N ATOM 38 CA SER A 5 1.744 -37.167 -14.007 1.00 0.00 C ATOM 39 C SER A 5 1.137 -35.787 -13.775 1.00 0.00 C ATOM 40 O SER A 5 1.394 -35.147 -12.755 1.00 0.00 O ATOM 41 CB SER A 5 0.632 -38.209 -14.143 1.00 0.00 C ATOM 42 OG SER A 5 -0.195 -38.227 -12.993 1.00 0.00 O ATOM 0 H SER A 5 2.385 -37.143 -12.011 1.00 0.00 H new ATOM 0 HA SER A 5 2.322 -37.140 -14.931 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.029 -37.989 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.070 -39.195 -14.295 1.00 0.00 H new ATOM 0 HG SER A 5 -0.898 -38.900 -13.106 1.00 0.00 H new ATOM 48 N SER A 6 0.329 -35.334 -14.729 1.00 0.00 N ATOM 49 CA SER A 6 -0.312 -34.028 -14.631 1.00 0.00 C ATOM 50 C SER A 6 -1.791 -34.121 -14.995 1.00 0.00 C ATOM 51 O SER A 6 -2.148 -34.580 -16.079 1.00 0.00 O ATOM 52 CB SER A 6 0.388 -33.023 -15.548 1.00 0.00 C ATOM 53 OG SER A 6 1.785 -33.008 -15.314 1.00 0.00 O ATOM 0 H SER A 6 0.103 -35.852 -15.578 1.00 0.00 H new ATOM 0 HA SER A 6 -0.230 -33.686 -13.599 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.193 -33.279 -16.589 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.023 -32.027 -15.382 1.00 0.00 H new ATOM 0 HG SER A 6 2.210 -32.359 -15.913 1.00 0.00 H new ATOM 59 N GLY A 7 -2.648 -33.681 -14.079 1.00 0.00 N ATOM 60 CA GLY A 7 -4.079 -33.722 -14.321 1.00 0.00 C ATOM 61 C GLY A 7 -4.695 -32.339 -14.391 1.00 0.00 C ATOM 62 O GLY A 7 -3.993 -31.334 -14.290 1.00 0.00 O ATOM 0 H GLY A 7 -2.377 -33.297 -13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.271 -34.250 -15.255 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.562 -34.292 -13.528 1.00 0.00 H new ATOM 66 N ALA A 8 -6.012 -32.288 -14.565 1.00 0.00 N ATOM 67 CA ALA A 8 -6.723 -31.018 -14.648 1.00 0.00 C ATOM 68 C ALA A 8 -7.284 -30.613 -13.289 1.00 0.00 C ATOM 69 O ALA A 8 -7.449 -31.449 -12.401 1.00 0.00 O ATOM 70 CB ALA A 8 -7.839 -31.105 -15.678 1.00 0.00 C ATOM 0 H ALA A 8 -6.608 -33.111 -14.651 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.014 -30.252 -14.961 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.362 -30.150 -15.730 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.415 -31.340 -16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.541 -31.887 -15.389 1.00 0.00 H new ATOM 76 N SER A 9 -7.574 -29.326 -13.134 1.00 0.00 N ATOM 77 CA SER A 9 -8.113 -28.809 -11.882 1.00 0.00 C ATOM 78 C SER A 9 -9.551 -28.335 -12.063 1.00 0.00 C ATOM 79 O SER A 9 -9.812 -27.200 -12.465 1.00 0.00 O ATOM 80 CB SER A 9 -7.246 -27.659 -11.365 1.00 0.00 C ATOM 81 OG SER A 9 -6.023 -28.140 -10.835 1.00 0.00 O ATOM 0 H SER A 9 -7.445 -28.621 -13.860 1.00 0.00 H new ATOM 0 HA SER A 9 -8.105 -29.618 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.044 -26.959 -12.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.788 -27.109 -10.596 1.00 0.00 H new ATOM 0 HG SER A 9 -5.487 -27.386 -10.513 1.00 0.00 H new ATOM 87 N PRO A 10 -10.509 -29.223 -11.760 1.00 0.00 N ATOM 88 CA PRO A 10 -11.938 -28.919 -11.882 1.00 0.00 C ATOM 89 C PRO A 10 -12.407 -27.911 -10.838 1.00 0.00 C ATOM 90 O PRO A 10 -12.376 -28.185 -9.638 1.00 0.00 O ATOM 91 CB PRO A 10 -12.610 -30.276 -11.654 1.00 0.00 C ATOM 92 CG PRO A 10 -11.635 -31.049 -10.836 1.00 0.00 C ATOM 93 CD PRO A 10 -10.271 -30.593 -11.276 1.00 0.00 C ATOM 0 HA PRO A 10 -12.178 -28.465 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.562 -30.164 -11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.820 -30.778 -12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.784 -30.863 -9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.757 -32.121 -10.993 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.557 -30.610 -10.453 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.868 -31.232 -12.061 1.00 0.00 H new ATOM 101 N VAL A 11 -12.841 -26.744 -11.303 1.00 0.00 N ATOM 102 CA VAL A 11 -13.318 -25.695 -10.409 1.00 0.00 C ATOM 103 C VAL A 11 -14.648 -25.126 -10.890 1.00 0.00 C ATOM 104 O VAL A 11 -14.773 -24.699 -12.037 1.00 0.00 O ATOM 105 CB VAL A 11 -12.295 -24.550 -10.291 1.00 0.00 C ATOM 106 CG1 VAL A 11 -11.996 -23.958 -11.660 1.00 0.00 C ATOM 107 CG2 VAL A 11 -12.802 -23.479 -9.337 1.00 0.00 C ATOM 0 H VAL A 11 -12.872 -26.501 -12.293 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.455 -26.152 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.367 -24.955 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.271 -23.150 -11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.587 -24.732 -12.310 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.915 -23.567 -12.096 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.067 -22.678 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.743 -23.075 -9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.960 -23.915 -8.351 1.00 0.00 H new ATOM 117 N GLU A 12 -15.640 -25.124 -10.004 1.00 0.00 N ATOM 118 CA GLU A 12 -16.961 -24.607 -10.340 1.00 0.00 C ATOM 119 C GLU A 12 -17.142 -23.189 -9.807 1.00 0.00 C ATOM 120 O GLU A 12 -16.684 -22.862 -8.713 1.00 0.00 O ATOM 121 CB GLU A 12 -18.050 -25.520 -9.771 1.00 0.00 C ATOM 122 CG GLU A 12 -18.189 -26.837 -10.515 1.00 0.00 C ATOM 123 CD GLU A 12 -19.147 -27.795 -9.832 1.00 0.00 C ATOM 124 OE1 GLU A 12 -20.178 -27.328 -9.304 1.00 0.00 O ATOM 125 OE2 GLU A 12 -18.864 -29.011 -9.826 1.00 0.00 O ATOM 0 H GLU A 12 -15.554 -25.474 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.048 -24.582 -11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -17.829 -25.726 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.004 -24.994 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.538 -26.642 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.209 -27.307 -10.600 1.00 0.00 H new ATOM 132 N ASN A 13 -17.814 -22.350 -10.589 1.00 0.00 N ATOM 133 CA ASN A 13 -18.055 -20.966 -10.197 1.00 0.00 C ATOM 134 C ASN A 13 -18.950 -20.261 -11.212 1.00 0.00 C ATOM 135 O ASN A 13 -19.006 -20.646 -12.380 1.00 0.00 O ATOM 136 CB ASN A 13 -16.729 -20.214 -10.062 1.00 0.00 C ATOM 137 CG ASN A 13 -16.928 -18.726 -9.849 1.00 0.00 C ATOM 138 OD1 ASN A 13 -16.804 -17.932 -10.782 1.00 0.00 O ATOM 139 ND2 ASN A 13 -17.237 -18.340 -8.617 1.00 0.00 N ATOM 0 H ASN A 13 -18.201 -22.604 -11.498 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.563 -20.971 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.164 -20.626 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.131 -20.373 -10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.382 -17.351 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.330 -19.032 -7.874 1.00 0.00 H new ATOM 146 N LYS A 14 -19.650 -19.227 -10.758 1.00 0.00 N ATOM 147 CA LYS A 14 -20.542 -18.466 -11.624 1.00 0.00 C ATOM 148 C LYS A 14 -19.866 -17.190 -12.115 1.00 0.00 C ATOM 149 O LYS A 14 -18.749 -16.873 -11.708 1.00 0.00 O ATOM 150 CB LYS A 14 -21.834 -18.119 -10.882 1.00 0.00 C ATOM 151 CG LYS A 14 -22.718 -19.322 -10.603 1.00 0.00 C ATOM 152 CD LYS A 14 -23.532 -19.135 -9.334 1.00 0.00 C ATOM 153 CE LYS A 14 -22.774 -19.623 -8.108 1.00 0.00 C ATOM 154 NZ LYS A 14 -23.564 -19.443 -6.859 1.00 0.00 N ATOM 0 H LYS A 14 -19.616 -18.897 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.783 -19.084 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -21.582 -17.637 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -22.397 -17.394 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.389 -19.484 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.100 -20.215 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.782 -18.081 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.473 -19.678 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.525 -20.677 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.832 -19.080 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.013 -19.787 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.781 -18.434 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -24.451 -19.981 -6.929 1.00 0.00 H new ATOM 168 N GLU A 15 -20.552 -16.460 -12.989 1.00 0.00 N ATOM 169 CA GLU A 15 -20.017 -15.218 -13.533 1.00 0.00 C ATOM 170 C GLU A 15 -20.124 -14.087 -12.514 1.00 0.00 C ATOM 171 O GLU A 15 -21.222 -13.645 -12.174 1.00 0.00 O ATOM 172 CB GLU A 15 -20.758 -14.836 -14.816 1.00 0.00 C ATOM 173 CG GLU A 15 -20.455 -15.751 -15.990 1.00 0.00 C ATOM 174 CD GLU A 15 -21.618 -15.867 -16.955 1.00 0.00 C ATOM 175 OE1 GLU A 15 -22.176 -14.819 -17.343 1.00 0.00 O ATOM 176 OE2 GLU A 15 -21.971 -17.007 -17.324 1.00 0.00 O ATOM 0 H GLU A 15 -21.479 -16.707 -13.335 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.964 -15.377 -13.764 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.831 -14.849 -14.623 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.495 -13.813 -15.086 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.582 -15.375 -16.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.198 -16.742 -15.616 1.00 0.00 H new ATOM 183 N VAL A 16 -18.976 -13.623 -12.031 1.00 0.00 N ATOM 184 CA VAL A 16 -18.940 -12.543 -11.051 1.00 0.00 C ATOM 185 C VAL A 16 -17.931 -11.473 -11.451 1.00 0.00 C ATOM 186 O VAL A 16 -16.945 -11.757 -12.132 1.00 0.00 O ATOM 187 CB VAL A 16 -18.585 -13.070 -9.648 1.00 0.00 C ATOM 188 CG1 VAL A 16 -17.149 -13.572 -9.613 1.00 0.00 C ATOM 189 CG2 VAL A 16 -18.806 -11.989 -8.602 1.00 0.00 C ATOM 0 H VAL A 16 -18.059 -13.978 -12.302 1.00 0.00 H new ATOM 0 HA VAL A 16 -19.938 -12.105 -11.024 1.00 0.00 H new ATOM 0 HB VAL A 16 -19.243 -13.908 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.917 -13.940 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.028 -14.380 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.472 -12.756 -9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.550 -12.378 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -18.174 -11.130 -8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -19.852 -11.683 -8.611 1.00 0.00 H new ATOM 199 N TYR A 17 -18.183 -10.241 -11.022 1.00 0.00 N ATOM 200 CA TYR A 17 -17.297 -9.126 -11.336 1.00 0.00 C ATOM 201 C TYR A 17 -16.358 -8.831 -10.170 1.00 0.00 C ATOM 202 O TYR A 17 -16.693 -8.061 -9.271 1.00 0.00 O ATOM 203 CB TYR A 17 -18.114 -7.879 -11.677 1.00 0.00 C ATOM 204 CG TYR A 17 -19.167 -8.115 -12.736 1.00 0.00 C ATOM 205 CD1 TYR A 17 -18.940 -8.999 -13.784 1.00 0.00 C ATOM 206 CD2 TYR A 17 -20.388 -7.455 -12.688 1.00 0.00 C ATOM 207 CE1 TYR A 17 -19.899 -9.217 -14.754 1.00 0.00 C ATOM 208 CE2 TYR A 17 -21.354 -7.668 -13.653 1.00 0.00 C ATOM 209 CZ TYR A 17 -21.104 -8.549 -14.685 1.00 0.00 C ATOM 210 OH TYR A 17 -22.062 -8.765 -15.648 1.00 0.00 O ATOM 0 H TYR A 17 -18.993 -9.989 -10.456 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.695 -9.405 -12.201 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -18.597 -7.513 -10.771 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -17.438 -7.094 -12.017 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.998 -9.524 -13.841 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -20.586 -6.763 -11.883 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -19.706 -9.907 -15.562 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -22.299 -7.148 -13.600 1.00 0.00 H new ATOM 0 HH TYR A 17 -22.852 -8.218 -15.452 1.00 0.00 H new ATOM 220 N GLN A 18 -15.182 -9.449 -10.195 1.00 0.00 N ATOM 221 CA GLN A 18 -14.194 -9.252 -9.141 1.00 0.00 C ATOM 222 C GLN A 18 -13.226 -8.131 -9.503 1.00 0.00 C ATOM 223 O GLN A 18 -12.892 -7.938 -10.673 1.00 0.00 O ATOM 224 CB GLN A 18 -13.421 -10.548 -8.889 1.00 0.00 C ATOM 225 CG GLN A 18 -13.988 -11.384 -7.754 1.00 0.00 C ATOM 226 CD GLN A 18 -13.725 -12.867 -7.933 1.00 0.00 C ATOM 227 OE1 GLN A 18 -14.648 -13.650 -8.159 1.00 0.00 O ATOM 228 NE2 GLN A 18 -12.461 -13.260 -7.833 1.00 0.00 N ATOM 0 H GLN A 18 -14.890 -10.090 -10.933 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.723 -8.969 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.419 -11.144 -9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.382 -10.304 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.552 -11.053 -6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.063 -11.215 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.728 -12.576 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.223 -14.246 -7.945 1.00 0.00 H new ATOM 237 N CYS A 19 -12.779 -7.392 -8.493 1.00 0.00 N ATOM 238 CA CYS A 19 -11.850 -6.289 -8.705 1.00 0.00 C ATOM 239 C CYS A 19 -10.450 -6.809 -9.021 1.00 0.00 C ATOM 240 O CYS A 19 -9.933 -7.688 -8.332 1.00 0.00 O ATOM 241 CB CYS A 19 -11.804 -5.389 -7.468 1.00 0.00 C ATOM 242 SG CYS A 19 -10.631 -4.002 -7.601 1.00 0.00 S ATOM 0 H CYS A 19 -13.045 -7.537 -7.519 1.00 0.00 H new ATOM 0 HA CYS A 19 -12.203 -5.708 -9.557 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -12.802 -4.991 -7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -11.538 -5.994 -6.601 1.00 0.00 H new ATOM 247 N ARG A 20 -9.844 -6.260 -10.069 1.00 0.00 N ATOM 248 CA ARG A 20 -8.506 -6.669 -10.477 1.00 0.00 C ATOM 249 C ARG A 20 -7.444 -5.992 -9.615 1.00 0.00 C ATOM 250 O ARG A 20 -6.280 -5.896 -10.007 1.00 0.00 O ATOM 251 CB ARG A 20 -8.273 -6.330 -11.951 1.00 0.00 C ATOM 252 CG ARG A 20 -9.197 -7.076 -12.900 1.00 0.00 C ATOM 253 CD ARG A 20 -8.850 -8.555 -12.968 1.00 0.00 C ATOM 254 NE ARG A 20 -7.664 -8.802 -13.784 1.00 0.00 N ATOM 255 CZ ARG A 20 -7.691 -8.903 -15.108 1.00 0.00 C ATOM 256 NH1 ARG A 20 -8.837 -8.778 -15.762 1.00 0.00 N ATOM 257 NH2 ARG A 20 -6.570 -9.129 -15.780 1.00 0.00 N ATOM 0 H ARG A 20 -10.258 -5.531 -10.650 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.426 -7.748 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.407 -5.258 -12.094 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.239 -6.559 -12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.230 -6.958 -12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.127 -6.639 -13.896 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.682 -8.935 -11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.695 -9.107 -13.380 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.766 -8.902 -13.311 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.701 -8.604 -15.248 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.855 -8.856 -16.779 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.686 -9.225 -15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.592 -9.206 -16.797 1.00 0.00 H new ATOM 271 N LEU A 21 -7.852 -5.525 -8.441 1.00 0.00 N ATOM 272 CA LEU A 21 -6.936 -4.857 -7.523 1.00 0.00 C ATOM 273 C LEU A 21 -6.898 -5.571 -6.176 1.00 0.00 C ATOM 274 O LEU A 21 -5.829 -5.784 -5.603 1.00 0.00 O ATOM 275 CB LEU A 21 -7.352 -3.398 -7.328 1.00 0.00 C ATOM 276 CG LEU A 21 -7.717 -2.628 -8.598 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.295 -1.266 -8.250 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.499 -2.479 -9.499 1.00 0.00 C ATOM 0 H LEU A 21 -8.811 -5.596 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.937 -4.889 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.208 -3.372 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.537 -2.872 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.477 -3.194 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.548 -0.733 -9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.193 -1.395 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.559 -0.691 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.777 -1.929 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.718 -1.936 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.129 -3.466 -9.777 1.00 0.00 H new ATOM 290 N CYS A 22 -8.072 -5.940 -5.675 1.00 0.00 N ATOM 291 CA CYS A 22 -8.175 -6.633 -4.396 1.00 0.00 C ATOM 292 C CYS A 22 -8.934 -7.948 -4.548 1.00 0.00 C ATOM 293 O CYS A 22 -9.022 -8.737 -3.609 1.00 0.00 O ATOM 294 CB CYS A 22 -8.875 -5.744 -3.366 1.00 0.00 C ATOM 295 SG CYS A 22 -10.515 -5.148 -3.889 1.00 0.00 S ATOM 0 H CYS A 22 -8.966 -5.771 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.166 -6.855 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.983 -6.301 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.239 -4.885 -3.152 1.00 0.00 H new ATOM 300 N ASN A 23 -9.480 -8.175 -5.738 1.00 0.00 N ATOM 301 CA ASN A 23 -10.231 -9.394 -6.014 1.00 0.00 C ATOM 302 C ASN A 23 -11.516 -9.439 -5.192 1.00 0.00 C ATOM 303 O ASN A 23 -11.907 -10.492 -4.690 1.00 0.00 O ATOM 304 CB ASN A 23 -9.375 -10.625 -5.711 1.00 0.00 C ATOM 305 CG ASN A 23 -7.984 -10.523 -6.306 1.00 0.00 C ATOM 306 OD1 ASN A 23 -6.999 -10.358 -5.585 1.00 0.00 O ATOM 307 ND2 ASN A 23 -7.897 -10.620 -7.627 1.00 0.00 N ATOM 0 H ASN A 23 -9.416 -7.531 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.497 -9.396 -7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.297 -10.753 -4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.870 -11.514 -6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.987 -10.558 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.740 -10.756 -8.185 1.00 0.00 H new ATOM 314 N ALA A 24 -12.168 -8.288 -5.061 1.00 0.00 N ATOM 315 CA ALA A 24 -13.409 -8.196 -4.303 1.00 0.00 C ATOM 316 C ALA A 24 -14.622 -8.272 -5.224 1.00 0.00 C ATOM 317 O ALA A 24 -14.735 -7.507 -6.183 1.00 0.00 O ATOM 318 CB ALA A 24 -13.439 -6.909 -3.492 1.00 0.00 C ATOM 0 H ALA A 24 -11.857 -7.407 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.451 -9.044 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.372 -6.854 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.598 -6.896 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.369 -6.054 -4.164 1.00 0.00 H new ATOM 324 N LYS A 25 -15.527 -9.198 -4.928 1.00 0.00 N ATOM 325 CA LYS A 25 -16.733 -9.374 -5.730 1.00 0.00 C ATOM 326 C LYS A 25 -17.592 -8.114 -5.703 1.00 0.00 C ATOM 327 O LYS A 25 -17.814 -7.524 -4.645 1.00 0.00 O ATOM 328 CB LYS A 25 -17.542 -10.567 -5.216 1.00 0.00 C ATOM 329 CG LYS A 25 -16.935 -11.913 -5.574 1.00 0.00 C ATOM 330 CD LYS A 25 -17.327 -12.986 -4.571 1.00 0.00 C ATOM 331 CE LYS A 25 -18.751 -13.469 -4.801 1.00 0.00 C ATOM 332 NZ LYS A 25 -19.315 -14.127 -3.590 1.00 0.00 N ATOM 0 H LYS A 25 -15.449 -9.839 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.431 -9.565 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.631 -10.495 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.552 -10.513 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -17.263 -12.208 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.849 -11.826 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.639 -13.828 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.234 -12.591 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.380 -12.624 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.767 -14.170 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.286 -14.442 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.729 -14.948 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.324 -13.451 -2.800 1.00 0.00 H new ATOM 346 N LEU A 26 -18.076 -7.708 -6.872 1.00 0.00 N ATOM 347 CA LEU A 26 -18.913 -6.519 -6.982 1.00 0.00 C ATOM 348 C LEU A 26 -20.389 -6.897 -7.056 1.00 0.00 C ATOM 349 O LEU A 26 -20.736 -8.077 -7.117 1.00 0.00 O ATOM 350 CB LEU A 26 -18.520 -5.707 -8.217 1.00 0.00 C ATOM 351 CG LEU A 26 -17.330 -4.763 -8.049 1.00 0.00 C ATOM 352 CD1 LEU A 26 -17.451 -3.978 -6.752 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.022 -5.541 -8.083 1.00 0.00 C ATOM 0 H LEU A 26 -17.903 -8.185 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 26 -18.757 -5.911 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.296 -6.401 -9.027 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.383 -5.119 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.331 -4.057 -8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.595 -3.311 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.369 -3.391 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.476 -4.669 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.186 -4.852 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.011 -6.271 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.931 -6.058 -9.038 1.00 0.00 H new ATOM 365 N SER A 27 -21.254 -5.888 -7.054 1.00 0.00 N ATOM 366 CA SER A 27 -22.693 -6.114 -7.119 1.00 0.00 C ATOM 367 C SER A 27 -23.201 -5.974 -8.551 1.00 0.00 C ATOM 368 O SER A 27 -24.286 -6.448 -8.887 1.00 0.00 O ATOM 369 CB SER A 27 -23.428 -5.130 -6.207 1.00 0.00 C ATOM 370 OG SER A 27 -24.833 -5.268 -6.335 1.00 0.00 O ATOM 0 H SER A 27 -20.983 -4.906 -7.008 1.00 0.00 H new ATOM 0 HA SER A 27 -22.891 -7.130 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.135 -5.301 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.135 -4.110 -6.456 1.00 0.00 H new ATOM 0 HG SER A 27 -25.280 -4.629 -5.741 1.00 0.00 H new ATOM 376 N SER A 28 -22.407 -5.318 -9.392 1.00 0.00 N ATOM 377 CA SER A 28 -22.776 -5.110 -10.787 1.00 0.00 C ATOM 378 C SER A 28 -21.578 -4.630 -11.600 1.00 0.00 C ATOM 379 O SER A 28 -20.620 -4.083 -11.052 1.00 0.00 O ATOM 380 CB SER A 28 -23.916 -4.095 -10.890 1.00 0.00 C ATOM 381 OG SER A 28 -25.072 -4.557 -10.213 1.00 0.00 O ATOM 0 H SER A 28 -21.504 -4.922 -9.131 1.00 0.00 H new ATOM 0 HA SER A 28 -23.111 -6.064 -11.194 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.599 -3.142 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.153 -3.914 -11.939 1.00 0.00 H new ATOM 0 HG SER A 28 -25.004 -5.525 -10.073 1.00 0.00 H new ATOM 387 N LEU A 29 -21.639 -4.838 -12.911 1.00 0.00 N ATOM 388 CA LEU A 29 -20.559 -4.426 -13.802 1.00 0.00 C ATOM 389 C LEU A 29 -20.129 -2.992 -13.510 1.00 0.00 C ATOM 390 O LEU A 29 -18.950 -2.653 -13.617 1.00 0.00 O ATOM 391 CB LEU A 29 -21.000 -4.551 -15.261 1.00 0.00 C ATOM 392 CG LEU A 29 -19.887 -4.792 -16.281 1.00 0.00 C ATOM 393 CD1 LEU A 29 -19.390 -6.227 -16.199 1.00 0.00 C ATOM 394 CD2 LEU A 29 -20.373 -4.474 -17.687 1.00 0.00 C ATOM 0 H LEU A 29 -22.424 -5.289 -13.380 1.00 0.00 H new ATOM 0 HA LEU A 29 -19.707 -5.083 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -21.716 -5.370 -15.334 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.529 -3.639 -15.539 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.056 -4.127 -16.047 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.598 -6.380 -16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.001 -6.421 -15.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -20.214 -6.910 -16.407 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.567 -4.651 -18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.221 -5.113 -17.932 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.679 -3.429 -17.739 1.00 0.00 H new ATOM 406 N LEU A 30 -21.091 -2.155 -13.138 1.00 0.00 N ATOM 407 CA LEU A 30 -20.812 -0.758 -12.828 1.00 0.00 C ATOM 408 C LEU A 30 -19.888 -0.642 -11.619 1.00 0.00 C ATOM 409 O LEU A 30 -18.789 -0.098 -11.717 1.00 0.00 O ATOM 410 CB LEU A 30 -22.116 -0.003 -12.561 1.00 0.00 C ATOM 411 CG LEU A 30 -22.115 1.484 -12.915 1.00 0.00 C ATOM 412 CD1 LEU A 30 -23.536 1.982 -13.130 1.00 0.00 C ATOM 413 CD2 LEU A 30 -21.424 2.291 -11.826 1.00 0.00 C ATOM 0 H LEU A 30 -22.071 -2.420 -13.044 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.312 -0.314 -13.689 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.915 -0.489 -13.121 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.361 -0.104 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.561 1.617 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.516 3.042 -13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -23.997 1.425 -13.945 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.115 1.836 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -21.433 3.347 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -21.950 2.153 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.393 1.952 -11.720 1.00 0.00 H new ATOM 425 N GLU A 31 -20.342 -1.161 -10.482 1.00 0.00 N ATOM 426 CA GLU A 31 -19.555 -1.117 -9.256 1.00 0.00 C ATOM 427 C GLU A 31 -18.099 -1.485 -9.530 1.00 0.00 C ATOM 428 O GLU A 31 -17.194 -1.045 -8.822 1.00 0.00 O ATOM 429 CB GLU A 31 -20.145 -2.065 -8.211 1.00 0.00 C ATOM 430 CG GLU A 31 -20.027 -1.550 -6.786 1.00 0.00 C ATOM 431 CD GLU A 31 -20.315 -0.066 -6.677 1.00 0.00 C ATOM 432 OE1 GLU A 31 -21.506 0.310 -6.667 1.00 0.00 O ATOM 433 OE2 GLU A 31 -19.348 0.721 -6.601 1.00 0.00 O ATOM 0 H GLU A 31 -21.250 -1.616 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.587 -0.098 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.197 -2.236 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -19.642 -3.029 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.719 -2.099 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.022 -1.750 -6.413 1.00 0.00 H new ATOM 440 N GLN A 32 -17.884 -2.296 -10.561 1.00 0.00 N ATOM 441 CA GLN A 32 -16.540 -2.725 -10.927 1.00 0.00 C ATOM 442 C GLN A 32 -15.746 -1.571 -11.530 1.00 0.00 C ATOM 443 O GLN A 32 -14.551 -1.427 -11.276 1.00 0.00 O ATOM 444 CB GLN A 32 -16.605 -3.888 -11.919 1.00 0.00 C ATOM 445 CG GLN A 32 -15.323 -4.701 -11.988 1.00 0.00 C ATOM 446 CD GLN A 32 -15.380 -5.792 -13.039 1.00 0.00 C ATOM 447 OE1 GLN A 32 -16.317 -5.855 -13.835 1.00 0.00 O ATOM 448 NE2 GLN A 32 -14.375 -6.660 -13.047 1.00 0.00 N ATOM 0 H GLN A 32 -18.623 -2.669 -11.157 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.033 -3.057 -10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.428 -4.546 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.831 -3.496 -12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.487 -4.036 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.129 -5.150 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.618 -6.571 -12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.360 -7.416 -13.731 1.00 0.00 H new ATOM 457 N GLY A 33 -16.419 -0.751 -12.332 1.00 0.00 N ATOM 458 CA GLY A 33 -15.760 0.379 -12.959 1.00 0.00 C ATOM 459 C GLY A 33 -15.597 1.554 -12.014 1.00 0.00 C ATOM 460 O GLY A 33 -14.759 2.427 -12.237 1.00 0.00 O ATOM 0 H GLY A 33 -17.409 -0.850 -12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.780 0.069 -13.320 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.336 0.694 -13.829 1.00 0.00 H new ATOM 464 N SER A 34 -16.402 1.575 -10.957 1.00 0.00 N ATOM 465 CA SER A 34 -16.347 2.654 -9.977 1.00 0.00 C ATOM 466 C SER A 34 -15.434 2.285 -8.812 1.00 0.00 C ATOM 467 O SER A 34 -14.551 3.055 -8.432 1.00 0.00 O ATOM 468 CB SER A 34 -17.751 2.972 -9.458 1.00 0.00 C ATOM 469 OG SER A 34 -18.395 3.928 -10.282 1.00 0.00 O ATOM 0 H SER A 34 -17.100 0.858 -10.757 1.00 0.00 H new ATOM 0 HA SER A 34 -15.940 3.537 -10.469 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.345 2.059 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.688 3.350 -8.438 1.00 0.00 H new ATOM 0 HG SER A 34 -19.291 4.113 -9.930 1.00 0.00 H new ATOM 475 N HIS A 35 -15.652 1.100 -8.250 1.00 0.00 N ATOM 476 CA HIS A 35 -14.849 0.627 -7.128 1.00 0.00 C ATOM 477 C HIS A 35 -13.365 0.630 -7.483 1.00 0.00 C ATOM 478 O HIS A 35 -12.507 0.642 -6.601 1.00 0.00 O ATOM 479 CB HIS A 35 -15.285 -0.781 -6.720 1.00 0.00 C ATOM 480 CG HIS A 35 -14.323 -1.460 -5.794 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.495 -1.500 -4.426 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.175 -2.131 -6.046 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.494 -2.164 -3.878 1.00 0.00 C ATOM 484 NE2 HIS A 35 -12.679 -2.558 -4.839 1.00 0.00 N ATOM 0 H HIS A 35 -16.378 0.450 -8.553 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.005 1.305 -6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.262 -0.725 -6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.405 -1.390 -7.616 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -15.274 -1.082 -3.917 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.731 -2.299 -7.016 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.364 -2.353 -2.823 1.00 0.00 H new ATOM 492 N GLU A 36 -13.071 0.617 -8.780 1.00 0.00 N ATOM 493 CA GLU A 36 -11.691 0.617 -9.250 1.00 0.00 C ATOM 494 C GLU A 36 -11.104 2.025 -9.213 1.00 0.00 C ATOM 495 O GLU A 36 -9.885 2.201 -9.229 1.00 0.00 O ATOM 496 CB GLU A 36 -11.613 0.056 -10.672 1.00 0.00 C ATOM 497 CG GLU A 36 -11.479 -1.456 -10.723 1.00 0.00 C ATOM 498 CD GLU A 36 -10.713 -1.933 -11.942 1.00 0.00 C ATOM 499 OE1 GLU A 36 -9.668 -1.326 -12.259 1.00 0.00 O ATOM 500 OE2 GLU A 36 -11.157 -2.911 -12.578 1.00 0.00 O ATOM 0 H GLU A 36 -13.770 0.606 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.107 -0.019 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.508 0.352 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.762 0.505 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.973 -1.803 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.472 -1.905 -10.724 1.00 0.00 H new ATOM 507 N ARG A 37 -11.979 3.024 -9.166 1.00 0.00 N ATOM 508 CA ARG A 37 -11.548 4.416 -9.129 1.00 0.00 C ATOM 509 C ARG A 37 -11.026 4.787 -7.744 1.00 0.00 C ATOM 510 O ARG A 37 -10.018 5.484 -7.615 1.00 0.00 O ATOM 511 CB ARG A 37 -12.704 5.340 -9.515 1.00 0.00 C ATOM 512 CG ARG A 37 -12.829 5.566 -11.013 1.00 0.00 C ATOM 513 CD ARG A 37 -13.842 6.655 -11.330 1.00 0.00 C ATOM 514 NE ARG A 37 -13.235 7.983 -11.332 1.00 0.00 N ATOM 515 CZ ARG A 37 -12.404 8.409 -12.277 1.00 0.00 C ATOM 516 NH1 ARG A 37 -12.084 7.617 -13.290 1.00 0.00 N ATOM 517 NH2 ARG A 37 -11.892 9.632 -12.209 1.00 0.00 N ATOM 0 H ARG A 37 -12.991 2.895 -9.153 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.738 4.539 -9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.636 4.917 -9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.569 6.302 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.857 5.841 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.128 4.637 -11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.291 6.460 -12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.647 6.626 -10.596 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.461 8.618 -10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.476 6.677 -13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.446 7.947 -14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.137 10.245 -11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.254 9.959 -12.935 1.00 0.00 H new ATOM 531 N LEU A 38 -11.718 4.319 -6.712 1.00 0.00 N ATOM 532 CA LEU A 38 -11.326 4.601 -5.336 1.00 0.00 C ATOM 533 C LEU A 38 -10.336 3.558 -4.826 1.00 0.00 C ATOM 534 O LEU A 38 -9.529 3.834 -3.939 1.00 0.00 O ATOM 535 CB LEU A 38 -12.558 4.637 -4.430 1.00 0.00 C ATOM 536 CG LEU A 38 -13.721 3.735 -4.844 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.442 3.198 -3.617 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.688 4.490 -5.745 1.00 0.00 C ATOM 0 H LEU A 38 -12.554 3.742 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.840 5.576 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.251 4.360 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.920 5.664 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.319 2.890 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.267 2.558 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.745 2.620 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.831 4.030 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.509 3.832 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.084 5.354 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.165 4.825 -6.640 1.00 0.00 H new ATOM 550 N CYS A 39 -10.403 2.359 -5.395 1.00 0.00 N ATOM 551 CA CYS A 39 -9.513 1.275 -5.001 1.00 0.00 C ATOM 552 C CYS A 39 -8.156 1.407 -5.688 1.00 0.00 C ATOM 553 O CYS A 39 -7.373 0.458 -5.726 1.00 0.00 O ATOM 554 CB CYS A 39 -10.140 -0.078 -5.344 1.00 0.00 C ATOM 555 SG CYS A 39 -9.139 -1.512 -4.835 1.00 0.00 S ATOM 0 H CYS A 39 -11.065 2.114 -6.131 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.363 1.336 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.118 -0.144 -4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.305 -0.127 -6.420 1.00 0.00 H new ATOM 560 N ARG A 40 -7.887 2.591 -6.229 1.00 0.00 N ATOM 561 CA ARG A 40 -6.626 2.848 -6.915 1.00 0.00 C ATOM 562 C ARG A 40 -5.781 3.854 -6.140 1.00 0.00 C ATOM 563 O ARG A 40 -4.560 3.723 -6.060 1.00 0.00 O ATOM 564 CB ARG A 40 -6.888 3.367 -8.330 1.00 0.00 C ATOM 565 CG ARG A 40 -5.766 3.060 -9.309 1.00 0.00 C ATOM 566 CD ARG A 40 -6.265 3.061 -10.746 1.00 0.00 C ATOM 567 NE ARG A 40 -5.170 3.173 -11.705 1.00 0.00 N ATOM 568 CZ ARG A 40 -5.350 3.364 -13.007 1.00 0.00 C ATOM 569 NH1 ARG A 40 -6.575 3.466 -13.502 1.00 0.00 N ATOM 570 NH2 ARG A 40 -4.302 3.455 -13.817 1.00 0.00 N ATOM 0 H ARG A 40 -8.525 3.387 -6.206 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.076 1.909 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.814 2.929 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.039 4.446 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.972 3.799 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.332 2.088 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.822 2.144 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.958 3.890 -10.889 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.214 3.101 -11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.383 3.398 -12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.710 3.613 -14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.358 3.378 -13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.441 3.602 -14.817 1.00 0.00 H new ATOM 584 N ASN A 41 -6.439 4.859 -5.572 1.00 0.00 N ATOM 585 CA ASN A 41 -5.748 5.889 -4.804 1.00 0.00 C ATOM 586 C ASN A 41 -5.924 5.660 -3.306 1.00 0.00 C ATOM 587 O ASN A 41 -5.054 6.010 -2.509 1.00 0.00 O ATOM 588 CB ASN A 41 -6.272 7.275 -5.185 1.00 0.00 C ATOM 589 CG ASN A 41 -6.238 8.245 -4.020 1.00 0.00 C ATOM 590 OD1 ASN A 41 -5.198 8.828 -3.712 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.380 8.423 -3.365 1.00 0.00 N ATOM 0 H ASN A 41 -7.450 4.982 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.685 5.832 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.674 7.674 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.295 7.186 -5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.419 9.064 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.218 7.919 -3.655 1.00 0.00 H new ATOM 598 N ALA A 42 -7.054 5.070 -2.931 1.00 0.00 N ATOM 599 CA ALA A 42 -7.342 4.792 -1.530 1.00 0.00 C ATOM 600 C ALA A 42 -6.063 4.499 -0.754 1.00 0.00 C ATOM 601 O ALA A 42 -5.742 5.187 0.214 1.00 0.00 O ATOM 602 CB ALA A 42 -8.312 3.625 -1.412 1.00 0.00 C ATOM 0 H ALA A 42 -7.785 4.775 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.803 5.679 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.518 3.428 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.242 3.872 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.871 2.738 -1.867 1.00 0.00 H new ATOM 608 N ALA A 43 -5.337 3.472 -1.185 1.00 0.00 N ATOM 609 CA ALA A 43 -4.092 3.089 -0.530 1.00 0.00 C ATOM 610 C ALA A 43 -2.995 2.817 -1.554 1.00 0.00 C ATOM 611 O ALA A 43 -2.885 1.710 -2.081 1.00 0.00 O ATOM 612 CB ALA A 43 -4.312 1.867 0.349 1.00 0.00 C ATOM 0 H ALA A 43 -5.590 2.891 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.769 3.920 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.374 1.592 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.058 2.096 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.661 1.036 -0.264 1.00 0.00 H new ATOM 618 N VAL A 44 -2.185 3.834 -1.832 1.00 0.00 N ATOM 619 CA VAL A 44 -1.097 3.703 -2.793 1.00 0.00 C ATOM 620 C VAL A 44 0.258 3.869 -2.114 1.00 0.00 C ATOM 621 O VAL A 44 0.528 4.891 -1.483 1.00 0.00 O ATOM 622 CB VAL A 44 -1.221 4.740 -3.926 1.00 0.00 C ATOM 623 CG1 VAL A 44 -0.029 4.647 -4.867 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.525 4.546 -4.684 1.00 0.00 C ATOM 0 H VAL A 44 -2.262 4.757 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.168 2.702 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.228 5.737 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.134 5.387 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.889 4.838 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.013 3.649 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.596 5.287 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.550 3.545 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.365 4.667 -4.000 1.00 0.00 H new ATOM 634 N CYS A 45 1.108 2.856 -2.248 1.00 0.00 N ATOM 635 CA CYS A 45 2.437 2.888 -1.647 1.00 0.00 C ATOM 636 C CYS A 45 3.390 3.738 -2.482 1.00 0.00 C ATOM 637 O CYS A 45 3.663 3.447 -3.647 1.00 0.00 O ATOM 638 CB CYS A 45 2.990 1.468 -1.508 1.00 0.00 C ATOM 639 SG CYS A 45 4.571 1.372 -0.609 1.00 0.00 S ATOM 0 H CYS A 45 0.900 2.003 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 45 2.351 3.336 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.253 0.851 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.123 1.042 -2.503 1.00 0.00 H new ATOM 644 N PRO A 46 3.911 4.814 -1.873 1.00 0.00 N ATOM 645 CA PRO A 46 4.843 5.728 -2.540 1.00 0.00 C ATOM 646 C PRO A 46 6.204 5.088 -2.789 1.00 0.00 C ATOM 647 O PRO A 46 7.138 5.749 -3.244 1.00 0.00 O ATOM 648 CB PRO A 46 4.970 6.889 -1.551 1.00 0.00 C ATOM 649 CG PRO A 46 4.651 6.293 -0.224 1.00 0.00 C ATOM 650 CD PRO A 46 3.630 5.220 -0.486 1.00 0.00 C ATOM 0 HA PRO A 46 4.486 6.027 -3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.975 7.312 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.281 7.697 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.544 5.876 0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.258 7.047 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.737 4.385 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.613 5.597 -0.376 1.00 0.00 H new ATOM 658 N TYR A 47 6.311 3.798 -2.487 1.00 0.00 N ATOM 659 CA TYR A 47 7.559 3.070 -2.676 1.00 0.00 C ATOM 660 C TYR A 47 7.507 2.217 -3.940 1.00 0.00 C ATOM 661 O TYR A 47 8.378 2.313 -4.805 1.00 0.00 O ATOM 662 CB TYR A 47 7.846 2.185 -1.462 1.00 0.00 C ATOM 663 CG TYR A 47 7.911 2.948 -0.158 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.612 4.144 -0.065 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.273 2.472 0.981 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.674 4.845 1.124 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.329 3.167 2.174 1.00 0.00 C ATOM 668 CZ TYR A 47 8.031 4.352 2.240 1.00 0.00 C ATOM 669 OH TYR A 47 8.091 5.046 3.427 1.00 0.00 O ATOM 0 H TYR A 47 5.548 3.236 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 47 8.362 3.799 -2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.072 1.422 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.792 1.666 -1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.117 4.532 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.724 1.543 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.223 5.774 1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.826 2.784 3.050 1.00 0.00 H new ATOM 0 HH TYR A 47 7.585 4.564 4.114 1.00 0.00 H new ATOM 679 N CYS A 48 6.478 1.382 -4.040 1.00 0.00 N ATOM 680 CA CYS A 48 6.308 0.511 -5.197 1.00 0.00 C ATOM 681 C CYS A 48 5.090 0.927 -6.017 1.00 0.00 C ATOM 682 O CYS A 48 4.834 0.378 -7.088 1.00 0.00 O ATOM 683 CB CYS A 48 6.163 -0.944 -4.749 1.00 0.00 C ATOM 684 SG CYS A 48 4.811 -1.225 -3.561 1.00 0.00 S ATOM 0 H CYS A 48 5.749 1.290 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 48 7.195 0.604 -5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.997 -1.568 -5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.101 -1.270 -4.299 1.00 0.00 H new ATOM 689 N SER A 49 4.344 1.901 -5.506 1.00 0.00 N ATOM 690 CA SER A 49 3.151 2.388 -6.188 1.00 0.00 C ATOM 691 C SER A 49 2.080 1.303 -6.251 1.00 0.00 C ATOM 692 O SER A 49 1.450 1.095 -7.289 1.00 0.00 O ATOM 693 CB SER A 49 3.502 2.856 -7.602 1.00 0.00 C ATOM 694 OG SER A 49 2.395 3.490 -8.218 1.00 0.00 O ATOM 0 H SER A 49 4.545 2.368 -4.622 1.00 0.00 H new ATOM 0 HA SER A 49 2.757 3.231 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.344 3.547 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.818 2.003 -8.203 1.00 0.00 H new ATOM 0 HG SER A 49 1.623 2.886 -8.205 1.00 0.00 H new ATOM 700 N LEU A 50 1.878 0.615 -5.133 1.00 0.00 N ATOM 701 CA LEU A 50 0.883 -0.449 -5.058 1.00 0.00 C ATOM 702 C LEU A 50 -0.519 0.127 -4.889 1.00 0.00 C ATOM 703 O LEU A 50 -0.707 1.344 -4.902 1.00 0.00 O ATOM 704 CB LEU A 50 1.202 -1.393 -3.898 1.00 0.00 C ATOM 705 CG LEU A 50 2.022 -2.635 -4.249 1.00 0.00 C ATOM 706 CD1 LEU A 50 2.569 -3.288 -2.989 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.178 -3.624 -5.040 1.00 0.00 C ATOM 0 H LEU A 50 2.390 0.775 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 50 0.916 -1.009 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.741 -0.830 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.262 -1.717 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 50 2.864 -2.328 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.150 -4.170 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.208 -2.581 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.742 -3.582 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.777 -4.502 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.316 -3.925 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.835 -3.154 -5.962 1.00 0.00 H new ATOM 719 N ARG A 51 -1.500 -0.755 -4.728 1.00 0.00 N ATOM 720 CA ARG A 51 -2.885 -0.334 -4.555 1.00 0.00 C ATOM 721 C ARG A 51 -3.657 -1.340 -3.706 1.00 0.00 C ATOM 722 O ARG A 51 -4.011 -2.422 -4.175 1.00 0.00 O ATOM 723 CB ARG A 51 -3.565 -0.170 -5.915 1.00 0.00 C ATOM 724 CG ARG A 51 -2.872 0.830 -6.826 1.00 0.00 C ATOM 725 CD ARG A 51 -3.314 0.666 -8.272 1.00 0.00 C ATOM 726 NE ARG A 51 -2.578 -0.396 -8.952 1.00 0.00 N ATOM 727 CZ ARG A 51 -3.007 -0.996 -10.057 1.00 0.00 C ATOM 728 NH1 ARG A 51 -4.161 -0.639 -10.604 1.00 0.00 N ATOM 729 NH2 ARG A 51 -2.281 -1.954 -10.618 1.00 0.00 N ATOM 0 H ARG A 51 -1.361 -1.765 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.884 0.626 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.600 -1.139 -6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.596 0.147 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.092 1.843 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.792 0.699 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.381 0.444 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.169 1.606 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.686 -0.693 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.722 0.098 -10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.488 -1.101 -11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.392 -2.231 -10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.612 -2.414 -11.466 1.00 0.00 H new ATOM 743 N PHE A 52 -3.915 -0.976 -2.454 1.00 0.00 N ATOM 744 CA PHE A 52 -4.644 -1.847 -1.539 1.00 0.00 C ATOM 745 C PHE A 52 -6.070 -1.346 -1.331 1.00 0.00 C ATOM 746 O PHE A 52 -6.307 -0.143 -1.220 1.00 0.00 O ATOM 747 CB PHE A 52 -3.919 -1.930 -0.194 1.00 0.00 C ATOM 748 CG PHE A 52 -2.467 -2.294 -0.317 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.569 -1.424 -0.915 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.000 -3.506 0.165 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.233 -1.757 -1.030 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.664 -3.844 0.053 1.00 0.00 C ATOM 753 CZ PHE A 52 0.220 -2.968 -0.544 1.00 0.00 C ATOM 0 H PHE A 52 -3.630 -0.084 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.688 -2.842 -1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.003 -0.970 0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.418 -2.668 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.917 -0.475 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.687 -4.195 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.457 -1.071 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.313 -4.792 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.264 -3.229 -0.631 1.00 0.00 H new ATOM 763 N PHE A 53 -7.017 -2.277 -1.281 1.00 0.00 N ATOM 764 CA PHE A 53 -8.420 -1.931 -1.088 1.00 0.00 C ATOM 765 C PHE A 53 -8.575 -0.875 0.002 1.00 0.00 C ATOM 766 O PHE A 53 -9.233 0.146 -0.197 1.00 0.00 O ATOM 767 CB PHE A 53 -9.229 -3.178 -0.725 1.00 0.00 C ATOM 768 CG PHE A 53 -10.602 -2.869 -0.199 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.262 -1.713 -0.584 1.00 0.00 C ATOM 770 CD2 PHE A 53 -11.232 -3.735 0.680 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.526 -1.427 -0.102 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.496 -3.454 1.165 1.00 0.00 C ATOM 773 CZ PHE A 53 -13.143 -2.298 0.774 1.00 0.00 C ATOM 0 H PHE A 53 -6.838 -3.277 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.799 -1.520 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.321 -3.812 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.682 -3.751 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.784 -1.028 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.730 -4.640 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -13.030 -0.523 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.977 -4.138 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.130 -2.076 1.153 1.00 0.00 H new ATOM 783 N SER A 54 -7.965 -1.129 1.155 1.00 0.00 N ATOM 784 CA SER A 54 -8.038 -0.203 2.279 1.00 0.00 C ATOM 785 C SER A 54 -6.675 0.425 2.555 1.00 0.00 C ATOM 786 O SER A 54 -5.629 -0.116 2.197 1.00 0.00 O ATOM 787 CB SER A 54 -8.541 -0.925 3.530 1.00 0.00 C ATOM 788 OG SER A 54 -9.958 -0.969 3.558 1.00 0.00 O ATOM 0 H SER A 54 -7.415 -1.969 1.335 1.00 0.00 H new ATOM 0 HA SER A 54 -8.739 0.590 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.142 -1.939 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.172 -0.416 4.421 1.00 0.00 H new ATOM 0 HG SER A 54 -10.255 -1.437 4.366 1.00 0.00 H new ATOM 794 N PRO A 55 -6.686 1.597 3.208 1.00 0.00 N ATOM 795 CA PRO A 55 -5.460 2.326 3.547 1.00 0.00 C ATOM 796 C PRO A 55 -4.646 1.620 4.627 1.00 0.00 C ATOM 797 O PRO A 55 -3.422 1.733 4.667 1.00 0.00 O ATOM 798 CB PRO A 55 -5.978 3.671 4.061 1.00 0.00 C ATOM 799 CG PRO A 55 -7.353 3.384 4.556 1.00 0.00 C ATOM 800 CD PRO A 55 -7.896 2.301 3.665 1.00 0.00 C ATOM 0 HA PRO A 55 -4.787 2.411 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.344 4.061 4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.991 4.419 3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.333 3.060 5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.978 4.276 4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.568 1.635 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.461 2.714 2.829 1.00 0.00 H new ATOM 808 N GLU A 56 -5.336 0.891 5.499 1.00 0.00 N ATOM 809 CA GLU A 56 -4.675 0.168 6.580 1.00 0.00 C ATOM 810 C GLU A 56 -3.828 -0.976 6.030 1.00 0.00 C ATOM 811 O GLU A 56 -2.720 -1.228 6.506 1.00 0.00 O ATOM 812 CB GLU A 56 -5.710 -0.378 7.565 1.00 0.00 C ATOM 813 CG GLU A 56 -5.171 -0.564 8.974 1.00 0.00 C ATOM 814 CD GLU A 56 -4.201 -1.725 9.078 1.00 0.00 C ATOM 815 OE1 GLU A 56 -4.659 -2.859 9.332 1.00 0.00 O ATOM 816 OE2 GLU A 56 -2.985 -1.500 8.906 1.00 0.00 O ATOM 0 H GLU A 56 -6.350 0.785 5.478 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.019 0.865 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.562 0.301 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.080 -1.335 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.672 0.351 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.003 -0.728 9.659 1.00 0.00 H new ATOM 823 N LEU A 57 -4.356 -1.666 5.025 1.00 0.00 N ATOM 824 CA LEU A 57 -3.650 -2.784 4.409 1.00 0.00 C ATOM 825 C LEU A 57 -2.317 -2.329 3.822 1.00 0.00 C ATOM 826 O LEU A 57 -1.336 -3.073 3.831 1.00 0.00 O ATOM 827 CB LEU A 57 -4.512 -3.418 3.317 1.00 0.00 C ATOM 828 CG LEU A 57 -5.483 -4.506 3.775 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.416 -4.902 2.641 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.721 -5.719 4.289 1.00 0.00 C ATOM 0 H LEU A 57 -5.271 -1.471 4.619 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.451 -3.526 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.085 -2.629 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.851 -3.843 2.562 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.086 -4.107 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.100 -5.678 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.988 -4.031 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.830 -5.281 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.428 -6.483 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.093 -6.118 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.096 -5.425 5.132 1.00 0.00 H new ATOM 842 N LYS A 58 -2.289 -1.102 3.313 1.00 0.00 N ATOM 843 CA LYS A 58 -1.077 -0.545 2.725 1.00 0.00 C ATOM 844 C LYS A 58 -0.031 -0.263 3.798 1.00 0.00 C ATOM 845 O LYS A 58 1.157 -0.522 3.602 1.00 0.00 O ATOM 846 CB LYS A 58 -1.400 0.742 1.962 1.00 0.00 C ATOM 847 CG LYS A 58 -0.256 1.741 1.942 1.00 0.00 C ATOM 848 CD LYS A 58 -0.335 2.702 3.116 1.00 0.00 C ATOM 849 CE LYS A 58 0.111 4.102 2.722 1.00 0.00 C ATOM 850 NZ LYS A 58 0.589 4.883 3.896 1.00 0.00 N ATOM 0 H LYS A 58 -3.093 -0.474 3.296 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.670 -1.280 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.668 0.489 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.274 1.212 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.694 1.208 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.279 2.303 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.358 2.737 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.290 2.336 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.908 4.034 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.719 4.628 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.915 5.819 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.189 4.999 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.375 4.378 4.352 1.00 0.00 H new ATOM 864 N GLN A 59 -0.480 0.266 4.931 1.00 0.00 N ATOM 865 CA GLN A 59 0.419 0.582 6.035 1.00 0.00 C ATOM 866 C GLN A 59 1.197 -0.654 6.474 1.00 0.00 C ATOM 867 O GLN A 59 2.342 -0.554 6.914 1.00 0.00 O ATOM 868 CB GLN A 59 -0.370 1.148 7.217 1.00 0.00 C ATOM 869 CG GLN A 59 -1.151 2.408 6.880 1.00 0.00 C ATOM 870 CD GLN A 59 -2.077 2.838 8.000 1.00 0.00 C ATOM 871 OE1 GLN A 59 -3.324 3.138 7.655 1.00 0.00 O flip ATOM 872 NE2 GLN A 59 -1.677 2.900 9.163 1.00 0.00 N flip ATOM 0 H GLN A 59 -1.460 0.485 5.109 1.00 0.00 H new ATOM 0 HA GLN A 59 1.129 1.332 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.062 0.387 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.320 1.365 8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.453 3.216 6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.735 2.238 5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.710 2.660 9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.312 3.191 9.906 1.00 0.00 H new ATOM 881 N GLU A 60 0.568 -1.819 6.351 1.00 0.00 N ATOM 882 CA GLU A 60 1.202 -3.074 6.736 1.00 0.00 C ATOM 883 C GLU A 60 2.286 -3.465 5.735 1.00 0.00 C ATOM 884 O GLU A 60 3.364 -3.923 6.118 1.00 0.00 O ATOM 885 CB GLU A 60 0.159 -4.188 6.836 1.00 0.00 C ATOM 886 CG GLU A 60 -1.093 -3.784 7.597 1.00 0.00 C ATOM 887 CD GLU A 60 -2.295 -4.633 7.233 1.00 0.00 C ATOM 888 OE1 GLU A 60 -2.098 -5.767 6.750 1.00 0.00 O ATOM 889 OE2 GLU A 60 -3.435 -4.162 7.433 1.00 0.00 O ATOM 0 H GLU A 60 -0.380 -1.919 5.988 1.00 0.00 H new ATOM 0 HA GLU A 60 1.667 -2.933 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.123 -4.502 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.608 -5.052 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.905 -3.866 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.317 -2.737 7.392 1.00 0.00 H new ATOM 896 N HIS A 61 1.993 -3.282 4.452 1.00 0.00 N ATOM 897 CA HIS A 61 2.942 -3.615 3.395 1.00 0.00 C ATOM 898 C HIS A 61 4.166 -2.707 3.458 1.00 0.00 C ATOM 899 O HIS A 61 5.302 -3.179 3.434 1.00 0.00 O ATOM 900 CB HIS A 61 2.274 -3.497 2.025 1.00 0.00 C ATOM 901 CG HIS A 61 3.246 -3.335 0.897 1.00 0.00 C ATOM 902 ND1 HIS A 61 3.842 -4.402 0.259 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.723 -2.222 0.293 1.00 0.00 C ATOM 904 CE1 HIS A 61 4.646 -3.952 -0.688 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.591 -2.633 -0.689 1.00 0.00 N ATOM 0 H HIS A 61 1.106 -2.905 4.119 1.00 0.00 H new ATOM 0 HA HIS A 61 3.268 -4.644 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.669 -4.386 1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.594 -2.645 2.033 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.687 -5.385 0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.469 -1.201 0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.246 -4.560 -1.349 1.00 0.00 H new ATOM 913 N GLU A 62 3.925 -1.402 3.537 1.00 0.00 N ATOM 914 CA GLU A 62 5.008 -0.428 3.601 1.00 0.00 C ATOM 915 C GLU A 62 6.090 -0.881 4.577 1.00 0.00 C ATOM 916 O GLU A 62 7.277 -0.639 4.361 1.00 0.00 O ATOM 917 CB GLU A 62 4.469 0.941 4.019 1.00 0.00 C ATOM 918 CG GLU A 62 4.113 1.840 2.847 1.00 0.00 C ATOM 919 CD GLU A 62 3.272 3.032 3.260 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.605 2.950 4.313 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.281 4.046 2.532 1.00 0.00 O ATOM 0 H GLU A 62 2.990 -0.995 3.558 1.00 0.00 H new ATOM 0 HA GLU A 62 5.449 -0.348 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.584 0.799 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.214 1.442 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.029 2.193 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.572 1.259 2.100 1.00 0.00 H new ATOM 928 N SER A 63 5.670 -1.541 5.652 1.00 0.00 N ATOM 929 CA SER A 63 6.602 -2.024 6.664 1.00 0.00 C ATOM 930 C SER A 63 7.452 -3.167 6.118 1.00 0.00 C ATOM 931 O SER A 63 8.622 -3.311 6.473 1.00 0.00 O ATOM 932 CB SER A 63 5.840 -2.489 7.908 1.00 0.00 C ATOM 933 OG SER A 63 6.690 -2.524 9.042 1.00 0.00 O ATOM 0 H SER A 63 4.691 -1.753 5.844 1.00 0.00 H new ATOM 0 HA SER A 63 7.263 -1.201 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.002 -1.818 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.421 -3.480 7.733 1.00 0.00 H new ATOM 0 HG SER A 63 6.180 -2.822 9.824 1.00 0.00 H new ATOM 939 N LYS A 64 6.855 -3.979 5.252 1.00 0.00 N ATOM 940 CA LYS A 64 7.556 -5.109 4.655 1.00 0.00 C ATOM 941 C LYS A 64 7.814 -4.866 3.171 1.00 0.00 C ATOM 942 O LYS A 64 8.104 -5.798 2.420 1.00 0.00 O ATOM 943 CB LYS A 64 6.744 -6.394 4.838 1.00 0.00 C ATOM 944 CG LYS A 64 5.246 -6.159 4.926 1.00 0.00 C ATOM 945 CD LYS A 64 4.463 -7.386 4.491 1.00 0.00 C ATOM 946 CE LYS A 64 4.667 -8.548 5.452 1.00 0.00 C ATOM 947 NZ LYS A 64 3.798 -8.431 6.655 1.00 0.00 N ATOM 0 H LYS A 64 5.887 -3.875 4.948 1.00 0.00 H new ATOM 0 HA LYS A 64 8.516 -5.217 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.950 -7.066 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.078 -6.899 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.977 -5.899 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.972 -5.310 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.402 -7.141 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.775 -7.682 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.453 -9.486 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.712 -8.585 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.966 -9.241 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.020 -7.549 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.800 -8.421 6.363 1.00 0.00 H new ATOM 961 N CYS A 65 7.708 -3.609 2.755 1.00 0.00 N ATOM 962 CA CYS A 65 7.931 -3.243 1.361 1.00 0.00 C ATOM 963 C CYS A 65 9.414 -3.317 1.010 1.00 0.00 C ATOM 964 O CYS A 65 10.245 -2.673 1.648 1.00 0.00 O ATOM 965 CB CYS A 65 7.401 -1.833 1.092 1.00 0.00 C ATOM 966 SG CYS A 65 7.553 -1.301 -0.644 1.00 0.00 S ATOM 0 H CYS A 65 7.469 -2.826 3.363 1.00 0.00 H new ATOM 0 HA CYS A 65 7.392 -3.953 0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.352 -1.789 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.938 -1.127 1.726 1.00 0.00 H new ATOM 971 N GLU A 66 9.736 -4.107 -0.010 1.00 0.00 N ATOM 972 CA GLU A 66 11.119 -4.265 -0.445 1.00 0.00 C ATOM 973 C GLU A 66 11.710 -2.926 -0.876 1.00 0.00 C ATOM 974 O GLU A 66 12.924 -2.729 -0.832 1.00 0.00 O ATOM 975 CB GLU A 66 11.202 -5.267 -1.598 1.00 0.00 C ATOM 976 CG GLU A 66 10.699 -4.715 -2.922 1.00 0.00 C ATOM 977 CD GLU A 66 10.237 -5.805 -3.870 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.559 -6.746 -3.409 1.00 0.00 O ATOM 979 OE2 GLU A 66 10.554 -5.715 -5.075 1.00 0.00 O ATOM 0 H GLU A 66 9.059 -4.647 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 66 11.698 -4.643 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.237 -5.586 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.623 -6.154 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.874 -4.027 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.493 -4.138 -3.396 1.00 0.00 H new ATOM 986 N TYR A 67 10.843 -2.011 -1.293 1.00 0.00 N ATOM 987 CA TYR A 67 11.278 -0.691 -1.736 1.00 0.00 C ATOM 988 C TYR A 67 11.479 0.243 -0.547 1.00 0.00 C ATOM 989 O TYR A 67 12.361 1.102 -0.559 1.00 0.00 O ATOM 990 CB TYR A 67 10.256 -0.092 -2.703 1.00 0.00 C ATOM 991 CG TYR A 67 10.389 -0.605 -4.119 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.296 -0.034 -5.003 1.00 0.00 C ATOM 993 CD2 TYR A 67 9.607 -1.660 -4.573 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.420 -0.499 -6.298 1.00 0.00 C ATOM 995 CE2 TYR A 67 9.725 -2.132 -5.866 1.00 0.00 C ATOM 996 CZ TYR A 67 10.633 -1.549 -6.725 1.00 0.00 C ATOM 997 OH TYR A 67 10.753 -2.015 -8.013 1.00 0.00 O ATOM 0 H TYR A 67 9.835 -2.158 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 67 12.232 -0.804 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.252 -0.311 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.364 0.993 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.915 0.787 -4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.895 -2.119 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.129 -0.043 -6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.109 -2.953 -6.202 1.00 0.00 H new ATOM 0 HH TYR A 67 10.128 -2.757 -8.152 1.00 0.00 H new ATOM 1007 N LYS A 68 10.655 0.069 0.480 1.00 0.00 N ATOM 1008 CA LYS A 68 10.740 0.893 1.680 1.00 0.00 C ATOM 1009 C LYS A 68 12.193 1.095 2.098 1.00 0.00 C ATOM 1010 O LYS A 68 12.571 2.169 2.568 1.00 0.00 O ATOM 1011 CB LYS A 68 9.954 0.250 2.824 1.00 0.00 C ATOM 1012 CG LYS A 68 10.263 0.846 4.186 1.00 0.00 C ATOM 1013 CD LYS A 68 9.439 2.096 4.447 1.00 0.00 C ATOM 1014 CE LYS A 68 9.900 2.813 5.707 1.00 0.00 C ATOM 1015 NZ LYS A 68 9.487 2.088 6.940 1.00 0.00 N ATOM 0 H LYS A 68 9.919 -0.637 0.506 1.00 0.00 H new ATOM 0 HA LYS A 68 10.306 1.867 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.888 0.355 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.170 -0.818 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.061 0.107 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.324 1.089 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.518 2.770 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.387 1.826 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.985 2.914 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.487 3.821 5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.820 2.608 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.450 2.014 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.902 1.134 6.938 1.00 0.00 H new ATOM 1029 N LYS A 69 13.004 0.057 1.925 1.00 0.00 N ATOM 1030 CA LYS A 69 14.416 0.121 2.281 1.00 0.00 C ATOM 1031 C LYS A 69 15.230 0.771 1.167 1.00 0.00 C ATOM 1032 O LYS A 69 16.209 1.472 1.428 1.00 0.00 O ATOM 1033 CB LYS A 69 14.955 -1.283 2.568 1.00 0.00 C ATOM 1034 CG LYS A 69 14.499 -2.326 1.562 1.00 0.00 C ATOM 1035 CD LYS A 69 15.332 -3.594 1.658 1.00 0.00 C ATOM 1036 CE LYS A 69 16.600 -3.492 0.825 1.00 0.00 C ATOM 1037 NZ LYS A 69 17.711 -4.295 1.406 1.00 0.00 N ATOM 0 H LYS A 69 12.707 -0.840 1.540 1.00 0.00 H new ATOM 0 HA LYS A 69 14.511 0.731 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.044 -1.250 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.637 -1.588 3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.450 -2.565 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.572 -1.917 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.594 -3.781 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.741 -4.445 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.397 -3.834 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.905 -2.448 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.557 -4.199 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.923 -3.952 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.430 -5.295 1.450 1.00 0.00 H new ATOM 1051 N LEU A 70 14.819 0.537 -0.074 1.00 0.00 N ATOM 1052 CA LEU A 70 15.509 1.101 -1.228 1.00 0.00 C ATOM 1053 C LEU A 70 14.943 2.473 -1.584 1.00 0.00 C ATOM 1054 O LEU A 70 15.000 2.900 -2.738 1.00 0.00 O ATOM 1055 CB LEU A 70 15.390 0.161 -2.429 1.00 0.00 C ATOM 1056 CG LEU A 70 16.018 -1.224 -2.261 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.614 -2.135 -3.410 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.533 -1.115 -2.171 1.00 0.00 C ATOM 0 H LEU A 70 14.011 -0.040 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 70 16.561 1.218 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.333 0.033 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.850 0.645 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 70 15.650 -1.659 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.070 -3.116 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.529 -2.238 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.953 -1.705 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.963 -2.110 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.920 -0.659 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.803 -0.498 -1.314 1.00 0.00 H new ATOM 1070 N THR A 71 14.399 3.160 -0.585 1.00 0.00 N ATOM 1071 CA THR A 71 13.824 4.483 -0.791 1.00 0.00 C ATOM 1072 C THR A 71 14.438 5.504 0.159 1.00 0.00 C ATOM 1073 O THR A 71 14.178 5.482 1.363 1.00 0.00 O ATOM 1074 CB THR A 71 12.296 4.469 -0.594 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.703 3.477 -1.439 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.698 5.832 -0.906 1.00 0.00 C ATOM 0 H THR A 71 14.345 2.822 0.376 1.00 0.00 H new ATOM 0 HA THR A 71 14.048 4.767 -1.819 1.00 0.00 H new ATOM 0 HB THR A 71 12.088 4.229 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.960 2.585 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.618 5.798 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.131 6.580 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.916 6.097 -1.941 1.00 0.00 H new ATOM 1084 N CYS A 72 15.255 6.399 -0.387 1.00 0.00 N ATOM 1085 CA CYS A 72 15.906 7.429 0.412 1.00 0.00 C ATOM 1086 C CYS A 72 14.883 8.414 0.969 1.00 0.00 C ATOM 1087 O CYS A 72 14.625 9.462 0.374 1.00 0.00 O ATOM 1088 CB CYS A 72 16.944 8.176 -0.429 1.00 0.00 C ATOM 1089 SG CYS A 72 18.074 9.223 0.543 1.00 0.00 S ATOM 0 H CYS A 72 15.482 6.431 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 72 16.407 6.942 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.532 7.450 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.425 8.799 -1.158 1.00 0.00 H new ATOM 1094 N LEU A 73 14.302 8.071 2.114 1.00 0.00 N ATOM 1095 CA LEU A 73 13.307 8.925 2.752 1.00 0.00 C ATOM 1096 C LEU A 73 13.796 10.367 2.831 1.00 0.00 C ATOM 1097 O LEU A 73 13.001 11.306 2.787 1.00 0.00 O ATOM 1098 CB LEU A 73 12.985 8.406 4.155 1.00 0.00 C ATOM 1099 CG LEU A 73 12.582 6.934 4.250 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.344 6.538 5.698 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.342 6.665 3.410 1.00 0.00 C ATOM 0 H LEU A 73 14.503 7.208 2.619 1.00 0.00 H new ATOM 0 HA LEU A 73 12.402 8.901 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.858 8.565 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.177 9.010 4.568 1.00 0.00 H new ATOM 0 HG LEU A 73 13.399 6.328 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.058 5.487 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.258 6.692 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.545 7.151 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.070 5.613 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.518 7.281 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.549 6.908 2.368 1.00 0.00 H new ATOM 1113 N GLU A 74 15.110 10.536 2.947 1.00 0.00 N ATOM 1114 CA GLU A 74 15.705 11.864 3.031 1.00 0.00 C ATOM 1115 C GLU A 74 15.198 12.759 1.904 1.00 0.00 C ATOM 1116 O GLU A 74 14.572 13.791 2.148 1.00 0.00 O ATOM 1117 CB GLU A 74 17.231 11.769 2.975 1.00 0.00 C ATOM 1118 CG GLU A 74 17.831 10.947 4.103 1.00 0.00 C ATOM 1119 CD GLU A 74 17.878 11.706 5.415 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.921 12.456 5.700 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.871 11.550 6.157 1.00 0.00 O ATOM 0 H GLU A 74 15.782 9.770 2.985 1.00 0.00 H new ATOM 0 HA GLU A 74 15.411 12.306 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.525 11.331 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.651 12.774 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.247 10.036 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.840 10.641 3.828 1.00 0.00 H new ATOM 1128 N CYS A 75 15.475 12.357 0.668 1.00 0.00 N ATOM 1129 CA CYS A 75 15.049 13.121 -0.499 1.00 0.00 C ATOM 1130 C CYS A 75 14.070 12.317 -1.349 1.00 0.00 C ATOM 1131 O CYS A 75 13.930 12.557 -2.548 1.00 0.00 O ATOM 1132 CB CYS A 75 16.261 13.524 -1.341 1.00 0.00 C ATOM 1133 SG CYS A 75 17.180 12.115 -2.042 1.00 0.00 S ATOM 0 H CYS A 75 15.993 11.506 0.449 1.00 0.00 H new ATOM 0 HA CYS A 75 14.543 14.021 -0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.927 14.167 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.938 14.115 -0.725 1.00 0.00 H new ATOM 1138 N MET A 76 13.394 11.361 -0.718 1.00 0.00 N ATOM 1139 CA MET A 76 12.427 10.522 -1.416 1.00 0.00 C ATOM 1140 C MET A 76 12.971 10.076 -2.769 1.00 0.00 C ATOM 1141 O MET A 76 12.331 10.273 -3.802 1.00 0.00 O ATOM 1142 CB MET A 76 11.110 11.276 -1.607 1.00 0.00 C ATOM 1143 CG MET A 76 10.206 11.240 -0.385 1.00 0.00 C ATOM 1144 SD MET A 76 9.072 9.838 -0.401 1.00 0.00 S ATOM 1145 CE MET A 76 10.122 8.546 0.259 1.00 0.00 C ATOM 0 H MET A 76 13.498 11.149 0.274 1.00 0.00 H new ATOM 0 HA MET A 76 12.246 9.636 -0.807 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.328 12.314 -1.857 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.576 10.849 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.820 11.196 0.515 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.633 12.166 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.526 7.652 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.909 8.315 -0.458 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.570 8.883 1.194 1.00 0.00 H new ATOM 1155 N ARG A 77 14.156 9.473 -2.756 1.00 0.00 N ATOM 1156 CA ARG A 77 14.786 9.000 -3.983 1.00 0.00 C ATOM 1157 C ARG A 77 14.976 7.487 -3.948 1.00 0.00 C ATOM 1158 O ARG A 77 15.832 6.973 -3.227 1.00 0.00 O ATOM 1159 CB ARG A 77 16.137 9.690 -4.186 1.00 0.00 C ATOM 1160 CG ARG A 77 16.675 9.569 -5.602 1.00 0.00 C ATOM 1161 CD ARG A 77 17.577 10.741 -5.957 1.00 0.00 C ATOM 1162 NE ARG A 77 16.858 12.013 -5.928 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.431 13.186 -6.173 1.00 0.00 C ATOM 1164 NH1 ARG A 77 18.723 13.249 -6.464 1.00 0.00 N ATOM 1165 NH2 ARG A 77 16.711 14.299 -6.128 1.00 0.00 N ATOM 0 H ARG A 77 14.699 9.301 -1.910 1.00 0.00 H new ATOM 0 HA ARG A 77 14.130 9.247 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.038 10.746 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.862 9.262 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.231 8.637 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.844 9.522 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.412 10.781 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.999 10.586 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 77 15.862 11.999 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.280 12.395 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.160 14.151 -6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.717 14.254 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.152 15.199 -6.316 1.00 0.00 H new ATOM 1179 N THR A 78 14.170 6.776 -4.731 1.00 0.00 N ATOM 1180 CA THR A 78 14.247 5.322 -4.789 1.00 0.00 C ATOM 1181 C THR A 78 15.358 4.867 -5.729 1.00 0.00 C ATOM 1182 O THR A 78 15.688 5.555 -6.695 1.00 0.00 O ATOM 1183 CB THR A 78 12.914 4.707 -5.253 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.817 5.396 -4.643 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.849 3.228 -4.901 1.00 0.00 C ATOM 0 H THR A 78 13.456 7.185 -5.334 1.00 0.00 H new ATOM 0 HA THR A 78 14.466 4.977 -3.778 1.00 0.00 H new ATOM 0 HB THR A 78 12.850 4.810 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.973 5.000 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.898 2.815 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.668 2.701 -5.391 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.934 3.107 -3.821 1.00 0.00 H new ATOM 1193 N PHE A 79 15.932 3.704 -5.439 1.00 0.00 N ATOM 1194 CA PHE A 79 17.007 3.158 -6.259 1.00 0.00 C ATOM 1195 C PHE A 79 16.712 1.713 -6.650 1.00 0.00 C ATOM 1196 O PHE A 79 15.662 1.168 -6.311 1.00 0.00 O ATOM 1197 CB PHE A 79 18.339 3.233 -5.509 1.00 0.00 C ATOM 1198 CG PHE A 79 18.821 4.638 -5.284 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.181 5.467 -4.377 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.915 5.129 -5.979 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.622 6.760 -4.169 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.361 6.421 -5.774 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.714 7.237 -4.867 1.00 0.00 C ATOM 0 H PHE A 79 15.671 3.122 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 79 17.076 3.756 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.233 2.735 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.095 2.683 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.328 5.099 -3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.425 4.495 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.113 7.397 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.214 6.792 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.061 8.246 -4.704 1.00 0.00 H new ATOM 1213 N LYS A 80 17.647 1.097 -7.366 1.00 0.00 N ATOM 1214 CA LYS A 80 17.490 -0.285 -7.803 1.00 0.00 C ATOM 1215 C LYS A 80 18.014 -1.253 -6.747 1.00 0.00 C ATOM 1216 O LYS A 80 17.396 -2.281 -6.473 1.00 0.00 O ATOM 1217 CB LYS A 80 18.226 -0.510 -9.126 1.00 0.00 C ATOM 1218 CG LYS A 80 17.381 -0.207 -10.351 1.00 0.00 C ATOM 1219 CD LYS A 80 17.400 1.274 -10.691 1.00 0.00 C ATOM 1220 CE LYS A 80 17.005 1.519 -12.139 1.00 0.00 C ATOM 1221 NZ LYS A 80 17.453 2.856 -12.617 1.00 0.00 N ATOM 0 H LYS A 80 18.522 1.534 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 80 16.427 -0.475 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.118 0.116 -9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.562 -1.546 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.752 -0.781 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.354 -0.527 -10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.717 1.809 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.397 1.677 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.439 0.743 -12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.922 1.442 -12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.165 2.985 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.019 3.598 -12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.489 2.921 -12.546 1.00 0.00 H new ATOM 1235 N SER A 81 19.156 -0.916 -6.157 1.00 0.00 N ATOM 1236 CA SER A 81 19.764 -1.757 -5.132 1.00 0.00 C ATOM 1237 C SER A 81 20.120 -0.936 -3.896 1.00 0.00 C ATOM 1238 O SER A 81 19.863 0.267 -3.841 1.00 0.00 O ATOM 1239 CB SER A 81 21.017 -2.442 -5.682 1.00 0.00 C ATOM 1240 OG SER A 81 20.702 -3.266 -6.791 1.00 0.00 O ATOM 0 H SER A 81 19.679 -0.067 -6.371 1.00 0.00 H new ATOM 0 HA SER A 81 19.039 -2.518 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.746 -1.689 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.481 -3.042 -4.899 1.00 0.00 H new ATOM 0 HG SER A 81 21.519 -3.691 -7.125 1.00 0.00 H new ATOM 1246 N SER A 82 20.713 -1.595 -2.906 1.00 0.00 N ATOM 1247 CA SER A 82 21.102 -0.929 -1.669 1.00 0.00 C ATOM 1248 C SER A 82 22.511 -0.354 -1.781 1.00 0.00 C ATOM 1249 O SER A 82 22.824 0.673 -1.179 1.00 0.00 O ATOM 1250 CB SER A 82 21.029 -1.906 -0.494 1.00 0.00 C ATOM 1251 OG SER A 82 21.805 -3.064 -0.745 1.00 0.00 O ATOM 0 H SER A 82 20.935 -2.590 -2.937 1.00 0.00 H new ATOM 0 HA SER A 82 20.407 -0.108 -1.493 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.384 -1.416 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.992 -2.191 -0.318 1.00 0.00 H new ATOM 0 HG SER A 82 21.408 -3.831 -0.281 1.00 0.00 H new ATOM 1257 N PHE A 83 23.357 -1.025 -2.556 1.00 0.00 N ATOM 1258 CA PHE A 83 24.733 -0.583 -2.747 1.00 0.00 C ATOM 1259 C PHE A 83 24.783 0.697 -3.575 1.00 0.00 C ATOM 1260 O PHE A 83 25.683 1.521 -3.411 1.00 0.00 O ATOM 1261 CB PHE A 83 25.553 -1.679 -3.431 1.00 0.00 C ATOM 1262 CG PHE A 83 26.920 -1.227 -3.859 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.896 -0.943 -2.918 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.228 -1.086 -5.202 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.154 -0.526 -3.309 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.485 -0.669 -5.600 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.449 -0.390 -4.652 1.00 0.00 C ATOM 0 H PHE A 83 23.114 -1.877 -3.062 1.00 0.00 H new ATOM 0 HA PHE A 83 25.162 -0.377 -1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.655 -2.524 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.008 -2.038 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.671 -1.049 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.477 -1.304 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.906 -0.307 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.712 -0.562 -6.650 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.432 -0.066 -4.960 1.00 0.00 H new ATOM 1277 N SER A 84 23.810 0.857 -4.466 1.00 0.00 N ATOM 1278 CA SER A 84 23.744 2.034 -5.324 1.00 0.00 C ATOM 1279 C SER A 84 23.345 3.269 -4.523 1.00 0.00 C ATOM 1280 O SER A 84 24.040 4.285 -4.539 1.00 0.00 O ATOM 1281 CB SER A 84 22.748 1.807 -6.463 1.00 0.00 C ATOM 1282 OG SER A 84 23.368 1.162 -7.562 1.00 0.00 O ATOM 0 H SER A 84 23.056 0.186 -4.613 1.00 0.00 H new ATOM 0 HA SER A 84 24.735 2.201 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.914 1.203 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.334 2.763 -6.784 1.00 0.00 H new ATOM 0 HG SER A 84 22.710 1.027 -8.276 1.00 0.00 H new ATOM 1288 N ILE A 85 22.220 3.173 -3.822 1.00 0.00 N ATOM 1289 CA ILE A 85 21.727 4.281 -3.013 1.00 0.00 C ATOM 1290 C ILE A 85 22.718 4.640 -1.911 1.00 0.00 C ATOM 1291 O ILE A 85 23.006 5.814 -1.680 1.00 0.00 O ATOM 1292 CB ILE A 85 20.365 3.951 -2.376 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.864 5.136 -1.548 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.472 2.703 -1.512 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.411 5.019 -1.142 1.00 0.00 C ATOM 0 H ILE A 85 21.633 2.339 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 85 21.608 5.132 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 85 19.646 3.758 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.477 5.227 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 85 20.000 6.053 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.501 2.483 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.789 1.861 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.203 2.870 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.125 5.894 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.788 4.959 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.272 4.120 -0.541 1.00 0.00 H new ATOM 1307 N TRP A 86 23.237 3.621 -1.236 1.00 0.00 N ATOM 1308 CA TRP A 86 24.198 3.829 -0.159 1.00 0.00 C ATOM 1309 C TRP A 86 25.190 4.930 -0.519 1.00 0.00 C ATOM 1310 O TRP A 86 25.495 5.796 0.301 1.00 0.00 O ATOM 1311 CB TRP A 86 24.946 2.530 0.143 1.00 0.00 C ATOM 1312 CG TRP A 86 25.708 2.569 1.433 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.186 2.670 2.691 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.130 2.510 1.591 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.198 2.677 3.621 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.400 2.579 2.972 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.202 2.403 0.700 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.696 2.546 3.479 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.487 2.370 1.206 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.726 2.441 2.585 1.00 0.00 C ATOM 0 H TRP A 86 23.009 2.643 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 86 23.648 4.138 0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.232 1.707 0.176 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.637 2.319 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.133 2.735 2.921 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.074 2.744 4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 86 28.029 2.347 -0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 28.882 2.601 4.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.322 2.288 0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.742 2.412 2.949 1.00 0.00 H new ATOM 1331 N ARG A 87 25.691 4.889 -1.749 1.00 0.00 N ATOM 1332 CA ARG A 87 26.650 5.883 -2.217 1.00 0.00 C ATOM 1333 C ARG A 87 26.013 7.269 -2.272 1.00 0.00 C ATOM 1334 O ARG A 87 26.656 8.272 -1.959 1.00 0.00 O ATOM 1335 CB ARG A 87 27.181 5.499 -3.599 1.00 0.00 C ATOM 1336 CG ARG A 87 28.029 4.238 -3.597 1.00 0.00 C ATOM 1337 CD ARG A 87 29.386 4.480 -2.955 1.00 0.00 C ATOM 1338 NE ARG A 87 30.278 5.237 -3.829 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.571 5.414 -3.584 1.00 0.00 C ATOM 1340 NH1 ARG A 87 32.122 4.890 -2.498 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.317 6.116 -4.428 1.00 0.00 N ATOM 0 H ARG A 87 25.449 4.178 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 87 27.480 5.911 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.339 5.359 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.774 6.324 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.506 3.448 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.167 3.889 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.252 5.020 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.846 3.523 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 87 29.886 5.653 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.552 4.349 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 87 33.116 5.028 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.897 6.520 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 87 33.310 6.252 -4.239 1.00 0.00 H new ATOM 1355 N HIS A 88 24.747 7.317 -2.672 1.00 0.00 N ATOM 1356 CA HIS A 88 24.023 8.580 -2.768 1.00 0.00 C ATOM 1357 C HIS A 88 23.768 9.167 -1.383 1.00 0.00 C ATOM 1358 O HIS A 88 23.564 10.372 -1.238 1.00 0.00 O ATOM 1359 CB HIS A 88 22.697 8.378 -3.501 1.00 0.00 C ATOM 1360 CG HIS A 88 21.700 9.466 -3.247 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.671 10.644 -3.963 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.690 9.549 -2.349 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.689 11.405 -3.516 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.077 10.764 -2.537 1.00 0.00 N ATOM 0 H HIS A 88 24.201 6.497 -2.935 1.00 0.00 H new ATOM 0 HA HIS A 88 24.638 9.281 -3.333 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.889 8.316 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.266 7.424 -3.198 1.00 0.00 H new ATOM 0 HD1 HIS A 88 22.309 10.889 -4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.417 8.800 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.430 12.385 -3.888 1.00 0.00 H new ATOM 1372 N GLN A 89 23.781 8.307 -0.370 1.00 0.00 N ATOM 1373 CA GLN A 89 23.549 8.740 1.003 1.00 0.00 C ATOM 1374 C GLN A 89 24.869 8.970 1.731 1.00 0.00 C ATOM 1375 O GLN A 89 24.927 9.711 2.713 1.00 0.00 O ATOM 1376 CB GLN A 89 22.713 7.702 1.754 1.00 0.00 C ATOM 1377 CG GLN A 89 21.382 7.394 1.086 1.00 0.00 C ATOM 1378 CD GLN A 89 20.617 6.291 1.790 1.00 0.00 C ATOM 1379 OE1 GLN A 89 21.079 5.056 1.633 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 19.622 6.547 2.469 1.00 0.00 N flip ATOM 0 H GLN A 89 23.950 7.306 -0.474 1.00 0.00 H new ATOM 0 HA GLN A 89 23.002 9.683 0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.288 6.780 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.528 8.061 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.773 8.297 1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.558 7.105 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.302 7.511 2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.118 5.795 2.938 1.00 0.00 H new ATOM 1389 N VAL A 90 25.927 8.330 1.244 1.00 0.00 N ATOM 1390 CA VAL A 90 27.247 8.466 1.848 1.00 0.00 C ATOM 1391 C VAL A 90 28.056 9.561 1.162 1.00 0.00 C ATOM 1392 O VAL A 90 28.957 10.147 1.760 1.00 0.00 O ATOM 1393 CB VAL A 90 28.034 7.143 1.781 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.480 7.359 2.201 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.370 6.085 2.649 1.00 0.00 C ATOM 0 H VAL A 90 25.896 7.712 0.433 1.00 0.00 H new ATOM 0 HA VAL A 90 27.090 8.735 2.893 1.00 0.00 H new ATOM 0 HB VAL A 90 28.030 6.790 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 90 30.020 6.413 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.948 8.083 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.510 7.736 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.939 5.157 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.341 6.428 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.353 5.911 2.296 1.00 0.00 H new ATOM 1405 N GLU A 91 27.727 9.831 -0.097 1.00 0.00 N ATOM 1406 CA GLU A 91 28.423 10.856 -0.865 1.00 0.00 C ATOM 1407 C GLU A 91 27.719 12.204 -0.738 1.00 0.00 C ATOM 1408 O GLU A 91 28.361 13.255 -0.734 1.00 0.00 O ATOM 1409 CB GLU A 91 28.510 10.451 -2.338 1.00 0.00 C ATOM 1410 CG GLU A 91 29.381 9.230 -2.583 1.00 0.00 C ATOM 1411 CD GLU A 91 30.069 9.266 -3.934 1.00 0.00 C ATOM 1412 OE1 GLU A 91 30.592 10.338 -4.305 1.00 0.00 O ATOM 1413 OE2 GLU A 91 30.085 8.223 -4.620 1.00 0.00 O ATOM 0 H GLU A 91 26.983 9.354 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 91 29.431 10.953 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.506 10.251 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.903 11.289 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.134 9.162 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.768 8.331 -2.516 1.00 0.00 H new ATOM 1420 N VAL A 92 26.394 12.166 -0.635 1.00 0.00 N ATOM 1421 CA VAL A 92 25.602 13.383 -0.507 1.00 0.00 C ATOM 1422 C VAL A 92 25.226 13.643 0.947 1.00 0.00 C ATOM 1423 O VAL A 92 25.664 14.625 1.547 1.00 0.00 O ATOM 1424 CB VAL A 92 24.317 13.307 -1.353 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.576 14.635 -1.318 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.644 12.907 -2.783 1.00 0.00 C ATOM 0 H VAL A 92 25.847 11.305 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 92 26.220 14.204 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 92 23.666 12.544 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.671 14.563 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.308 14.875 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.217 15.420 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.725 12.858 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.314 13.645 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.128 11.930 -2.786 1.00 0.00 H new ATOM 1436 N HIS A 93 24.411 12.757 1.510 1.00 0.00 N ATOM 1437 CA HIS A 93 23.975 12.890 2.896 1.00 0.00 C ATOM 1438 C HIS A 93 25.092 12.493 3.856 1.00 0.00 C ATOM 1439 O HIS A 93 25.055 12.829 5.039 1.00 0.00 O ATOM 1440 CB HIS A 93 22.738 12.028 3.149 1.00 0.00 C ATOM 1441 CG HIS A 93 21.581 12.364 2.260 1.00 0.00 C ATOM 1442 ND1 HIS A 93 21.291 11.971 0.998 1.00 0.00 N flip ATOM 1443 CD2 HIS A 93 20.556 13.203 2.644 1.00 0.00 C flip ATOM 1444 CE1 HIS A 93 20.108 12.572 0.646 1.00 0.00 C flip ATOM 1445 NE2 HIS A 93 19.685 13.310 1.656 1.00 0.00 N flip ATOM 0 H HIS A 93 24.039 11.939 1.028 1.00 0.00 H new ATOM 0 HA HIS A 93 23.722 13.935 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.001 10.980 3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.432 12.143 4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.477 13.695 3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 93 19.605 12.459 -0.303 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.831 13.868 1.671 1.00 0.00 H new ATOM 1453 N ASN A 94 26.084 11.775 3.339 1.00 0.00 N ATOM 1454 CA ASN A 94 27.211 11.331 4.152 1.00 0.00 C ATOM 1455 C ASN A 94 26.726 10.625 5.415 1.00 0.00 C ATOM 1456 O ASN A 94 27.099 10.997 6.527 1.00 0.00 O ATOM 1457 CB ASN A 94 28.096 12.521 4.527 1.00 0.00 C ATOM 1458 CG ASN A 94 29.267 12.117 5.402 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.260 12.348 6.612 1.00 0.00 O ATOM 1460 ND2 ASN A 94 30.279 11.511 4.794 1.00 0.00 N ATOM 0 H ASN A 94 26.130 11.488 2.361 1.00 0.00 H new ATOM 0 HA ASN A 94 27.795 10.624 3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.470 12.992 3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.496 13.266 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 94 31.094 11.216 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 94 30.242 11.340 3.789 1.00 0.00 H new ATOM 1467 N GLN A 95 25.893 9.605 5.234 1.00 0.00 N ATOM 1468 CA GLN A 95 25.358 8.848 6.359 1.00 0.00 C ATOM 1469 C GLN A 95 25.766 7.381 6.271 1.00 0.00 C ATOM 1470 O GLN A 95 25.246 6.631 5.446 1.00 0.00 O ATOM 1471 CB GLN A 95 23.833 8.964 6.399 1.00 0.00 C ATOM 1472 CG GLN A 95 23.337 10.237 7.066 1.00 0.00 C ATOM 1473 CD GLN A 95 23.396 10.165 8.579 1.00 0.00 C ATOM 1474 OE1 GLN A 95 22.604 9.465 9.210 1.00 0.00 O ATOM 1475 NE2 GLN A 95 24.338 10.891 9.170 1.00 0.00 N ATOM 0 H GLN A 95 25.574 9.284 4.320 1.00 0.00 H new ATOM 0 HA GLN A 95 25.772 9.267 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.447 8.923 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.425 8.103 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.937 11.080 6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.310 10.429 6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 95 24.973 11.457 8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 95 24.426 10.882 10.186 1.00 0.00 H new ATOM 1484 N ASN A 96 26.700 6.980 7.127 1.00 0.00 N ATOM 1485 CA ASN A 96 27.179 5.602 7.145 1.00 0.00 C ATOM 1486 C ASN A 96 26.254 4.716 7.973 1.00 0.00 C ATOM 1487 O ASN A 96 26.711 3.907 8.780 1.00 0.00 O ATOM 1488 CB ASN A 96 28.600 5.542 7.708 1.00 0.00 C ATOM 1489 CG ASN A 96 28.675 6.027 9.142 1.00 0.00 C ATOM 1490 OD1 ASN A 96 28.571 5.239 10.082 1.00 0.00 O ATOM 1491 ND2 ASN A 96 28.856 7.331 9.317 1.00 0.00 N ATOM 0 H ASN A 96 27.140 7.589 7.817 1.00 0.00 H new ATOM 0 HA ASN A 96 27.186 5.232 6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.966 4.517 7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.260 6.148 7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 96 28.914 7.716 10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 96 28.937 7.948 8.509 1.00 0.00 H new ATOM 1498 N ASN A 97 24.950 4.874 7.767 1.00 0.00 N ATOM 1499 CA ASN A 97 23.960 4.088 8.494 1.00 0.00 C ATOM 1500 C ASN A 97 24.112 2.602 8.185 1.00 0.00 C ATOM 1501 O ASN A 97 24.728 2.224 7.189 1.00 0.00 O ATOM 1502 CB ASN A 97 22.547 4.553 8.137 1.00 0.00 C ATOM 1503 CG ASN A 97 21.489 3.913 9.015 1.00 0.00 C ATOM 1504 OD1 ASN A 97 20.660 3.064 8.419 1.00 0.00 O flip ATOM 1505 ND2 ASN A 97 21.418 4.180 10.215 1.00 0.00 N flip ATOM 0 H ASN A 97 24.555 5.539 7.103 1.00 0.00 H new ATOM 0 HA ASN A 97 24.126 4.238 9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 97 22.489 5.637 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 97 22.342 4.315 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.077 4.839 10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.701 3.742 10.793 1.00 0.00 H new ATOM 1512 N MET A 98 23.544 1.763 9.046 1.00 0.00 N ATOM 1513 CA MET A 98 23.615 0.318 8.864 1.00 0.00 C ATOM 1514 C MET A 98 23.586 -0.045 7.383 1.00 0.00 C ATOM 1515 O MET A 98 22.822 0.529 6.608 1.00 0.00 O ATOM 1516 CB MET A 98 22.456 -0.366 9.592 1.00 0.00 C ATOM 1517 CG MET A 98 21.086 0.098 9.124 1.00 0.00 C ATOM 1518 SD MET A 98 19.786 -1.098 9.487 1.00 0.00 S ATOM 1519 CE MET A 98 20.475 -2.579 8.754 1.00 0.00 C ATOM 0 H MET A 98 23.030 2.059 9.876 1.00 0.00 H new ATOM 0 HA MET A 98 24.557 -0.031 9.287 1.00 0.00 H new ATOM 0 HB2 MET A 98 22.534 -1.444 9.450 1.00 0.00 H new ATOM 0 HB3 MET A 98 22.548 -0.178 10.662 1.00 0.00 H new ATOM 0 HG2 MET A 98 20.845 1.047 9.603 1.00 0.00 H new ATOM 0 HG3 MET A 98 21.116 0.281 8.050 1.00 0.00 H new ATOM 0 HE1 MET A 98 19.674 -3.175 8.317 1.00 0.00 H new ATOM 0 HE2 MET A 98 21.187 -2.303 7.976 1.00 0.00 H new ATOM 0 HE3 MET A 98 20.984 -3.162 9.522 1.00 0.00 H new ATOM 1529 N ALA A 99 24.424 -1.002 6.997 1.00 0.00 N ATOM 1530 CA ALA A 99 24.492 -1.443 5.609 1.00 0.00 C ATOM 1531 C ALA A 99 24.672 -2.955 5.521 1.00 0.00 C ATOM 1532 O ALA A 99 25.128 -3.605 6.461 1.00 0.00 O ATOM 1533 CB ALA A 99 25.626 -0.732 4.885 1.00 0.00 C ATOM 0 H ALA A 99 25.065 -1.486 7.626 1.00 0.00 H new ATOM 0 HA ALA A 99 23.549 -1.187 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 99 25.666 -1.071 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 99 25.455 0.344 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 99 26.571 -0.960 5.377 1.00 0.00 H new ATOM 1539 N PRO A 100 24.305 -3.529 4.366 1.00 0.00 N ATOM 1540 CA PRO A 100 24.416 -4.971 4.128 1.00 0.00 C ATOM 1541 C PRO A 100 25.866 -5.428 4.008 1.00 0.00 C ATOM 1542 O PRO A 100 26.140 -6.567 3.626 1.00 0.00 O ATOM 1543 CB PRO A 100 23.681 -5.170 2.800 1.00 0.00 C ATOM 1544 CG PRO A 100 23.777 -3.851 2.114 1.00 0.00 C ATOM 1545 CD PRO A 100 23.753 -2.814 3.202 1.00 0.00 C ATOM 0 HA PRO A 100 24.001 -5.553 4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 100 24.142 -5.960 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 100 22.642 -5.458 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 100 24.694 -3.781 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 100 22.946 -3.710 1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 100 24.356 -1.944 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 100 22.742 -2.455 3.393 1.00 0.00 H new ATOM 1553 N THR A 101 26.793 -4.534 4.337 1.00 0.00 N ATOM 1554 CA THR A 101 28.215 -4.846 4.266 1.00 0.00 C ATOM 1555 C THR A 101 28.643 -5.734 5.429 1.00 0.00 C ATOM 1556 O THR A 101 29.601 -5.426 6.138 1.00 0.00 O ATOM 1557 CB THR A 101 29.072 -3.566 4.270 1.00 0.00 C ATOM 1558 OG1 THR A 101 28.729 -2.751 5.397 1.00 0.00 O ATOM 1559 CG2 THR A 101 28.870 -2.775 2.987 1.00 0.00 C ATOM 0 H THR A 101 26.584 -3.588 4.655 1.00 0.00 H new ATOM 0 HA THR A 101 28.375 -5.379 3.328 1.00 0.00 H new ATOM 0 HB THR A 101 30.120 -3.857 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 101 29.279 -1.940 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 101 29.485 -1.876 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 101 29.159 -3.387 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.821 -2.494 2.894 1.00 0.00 H new ATOM 1567 N SER A 102 27.927 -6.838 5.619 1.00 0.00 N ATOM 1568 CA SER A 102 28.231 -7.769 6.698 1.00 0.00 C ATOM 1569 C SER A 102 28.222 -9.209 6.192 1.00 0.00 C ATOM 1570 O SER A 102 27.661 -9.505 5.138 1.00 0.00 O ATOM 1571 CB SER A 102 27.221 -7.611 7.837 1.00 0.00 C ATOM 1572 OG SER A 102 27.498 -6.454 8.607 1.00 0.00 O ATOM 0 H SER A 102 27.133 -7.109 5.039 1.00 0.00 H new ATOM 0 HA SER A 102 29.229 -7.539 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 102 26.213 -7.546 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 102 27.249 -8.493 8.477 1.00 0.00 H new ATOM 0 HG SER A 102 26.838 -6.374 9.327 1.00 0.00 H new ATOM 1578 N GLY A 103 28.849 -10.101 6.953 1.00 0.00 N ATOM 1579 CA GLY A 103 28.903 -11.499 6.566 1.00 0.00 C ATOM 1580 C GLY A 103 30.310 -12.059 6.610 1.00 0.00 C ATOM 1581 O GLY A 103 30.615 -12.972 7.378 1.00 0.00 O ATOM 0 H GLY A 103 29.320 -9.881 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 103 28.263 -12.081 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 103 28.503 -11.609 5.558 1.00 0.00 H new ATOM 1585 N PRO A 104 31.197 -11.507 5.769 1.00 0.00 N ATOM 1586 CA PRO A 104 32.595 -11.943 5.695 1.00 0.00 C ATOM 1587 C PRO A 104 33.389 -11.559 6.939 1.00 0.00 C ATOM 1588 O PRO A 104 34.572 -11.878 7.055 1.00 0.00 O ATOM 1589 CB PRO A 104 33.133 -11.203 4.467 1.00 0.00 C ATOM 1590 CG PRO A 104 32.266 -9.998 4.341 1.00 0.00 C ATOM 1591 CD PRO A 104 30.904 -10.416 4.825 1.00 0.00 C ATOM 0 HA PRO A 104 32.681 -13.028 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 104 34.179 -10.926 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 104 33.078 -11.826 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 104 32.656 -9.173 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 104 32.224 -9.653 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 104 30.381 -9.593 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 104 30.272 -10.754 4.004 1.00 0.00 H new ATOM 1599 N SER A 105 32.730 -10.872 7.866 1.00 0.00 N ATOM 1600 CA SER A 105 33.376 -10.441 9.101 1.00 0.00 C ATOM 1601 C SER A 105 34.398 -11.472 9.568 1.00 0.00 C ATOM 1602 O SER A 105 34.225 -12.673 9.360 1.00 0.00 O ATOM 1603 CB SER A 105 32.331 -10.211 10.195 1.00 0.00 C ATOM 1604 OG SER A 105 32.759 -9.216 11.108 1.00 0.00 O ATOM 0 H SER A 105 31.750 -10.602 7.786 1.00 0.00 H new ATOM 0 HA SER A 105 33.896 -9.504 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 105 31.386 -9.911 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 105 32.147 -11.144 10.728 1.00 0.00 H new ATOM 0 HG SER A 105 32.073 -9.087 11.796 1.00 0.00 H new ATOM 1610 N SER A 106 35.465 -10.994 10.200 1.00 0.00 N ATOM 1611 CA SER A 106 36.519 -11.873 10.693 1.00 0.00 C ATOM 1612 C SER A 106 37.259 -11.231 11.863 1.00 0.00 C ATOM 1613 O SER A 106 37.371 -10.009 11.945 1.00 0.00 O ATOM 1614 CB SER A 106 37.505 -12.203 9.571 1.00 0.00 C ATOM 1615 OG SER A 106 38.396 -13.233 9.961 1.00 0.00 O ATOM 0 H SER A 106 35.623 -10.003 10.383 1.00 0.00 H new ATOM 0 HA SER A 106 36.054 -12.796 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 106 36.957 -12.510 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 106 38.071 -11.310 9.306 1.00 0.00 H new ATOM 0 HG SER A 106 39.015 -13.426 9.226 1.00 0.00 H new ATOM 1621 N GLY A 107 37.762 -12.066 12.767 1.00 0.00 N ATOM 1622 CA GLY A 107 38.485 -11.563 13.921 1.00 0.00 C ATOM 1623 C GLY A 107 37.976 -12.147 15.223 1.00 0.00 C ATOM 1624 O GLY A 107 36.787 -12.020 15.512 1.00 0.00 O ATOM 0 H GLY A 107 37.682 -13.082 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 107 39.544 -11.795 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 107 38.399 -10.477 13.955 1.00 0.00 H new TER 1628 GLY A 107 HETATM 1629 ZN ZN A 301 -10.502 -3.327 -5.331 1.00 0.00 ZN HETATM 1630 ZN ZN A 501 5.479 -0.610 -1.422 1.00 0.00 ZN HETATM 1631 ZN ZN A 701 18.753 11.155 -0.616 1.00 0.00 ZN