USER MOD reduce.3.24.130724 H: found=0, std=0, add=1128, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1128 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 122 HIS HD1 : A 122 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 83 MET CE :methyl -135:sc= 0 (180deg=-0.0589) USER MOD Set 1.2: A 145 TYR OH : rot 52:sc= 1.44 USER MOD Set 2.1: A 79 HIS : no HE2:sc= -5.94! C(o=-6.3!,f=-12!) USER MOD Set 2.2: A 85 THR OG1 : rot 110:sc= -0.342 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0.291 USER MOD Set 3.2: A 23 ASN : amide:sc= -0.446 K(o=-0.16,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc=1.86e-05 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-2.5!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.0192 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0081 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00555 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 45 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.69! C(o=-4.2!,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= -1.09 (180deg=-3.23!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.299 F(o=-4.1!,f=-0.3) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-6.8!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.6! C(o=-2.6!,f=-6.2!) USER MOD Single : A 78 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) USER MOD Single : A 84 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-4.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0.00221 USER MOD Single : A 89 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-3.7!) USER MOD Single : A 91 SER OG : rot -27:sc= 0.112 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -46:sc=0.000332 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.62 F(o=-8!,f=-1.6) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 138:sc= 0.737 USER MOD Single : A 113 THR OG1 : rot 70:sc= -1.95! USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00892 USER MOD Single : A 120 HIS : no HE2:sc= 0.281 K(o=0.28,f=-1.1) USER MOD Single : A 125 MET CE :methyl -138:sc= -0.308 (180deg=-1.95!) USER MOD Single : A 129 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.018) USER MOD Single : A 131 ASN : amide:sc= -0.0663 K(o=-0.066,f=-0.8) USER MOD Single : A 133 GLN :FLIP amide:sc= -2.8 F(o=-6.4!,f=-2.8) USER MOD Single : A 134 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 137 SER OG : rot -42:sc= 0.377 USER MOD Single : A 143 THR OG1 : rot 48:sc= -0.0496 USER MOD Single : A 148 ASN : amide:sc= 0.304 X(o=0.3,f=0.029) USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 THR OG1 : rot 102:sc= 1.28 USER MOD Single : A 156 THR OG1 : rot 41:sc= 0.0905 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.343 -28.451 8.138 1.00 0.00 N ATOM 2 CA MET A 1 -20.195 -28.270 7.213 1.00 0.00 C ATOM 3 C MET A 1 -20.075 -29.446 6.249 1.00 0.00 C ATOM 4 O MET A 1 -20.259 -30.601 6.642 1.00 0.00 O ATOM 5 CB MET A 1 -18.893 -28.118 8.003 1.00 0.00 C ATOM 6 CG MET A 1 -18.700 -26.735 8.607 1.00 0.00 C ATOM 7 SD MET A 1 -17.104 -26.554 9.428 1.00 0.00 S ATOM 8 CE MET A 1 -17.130 -24.812 9.841 1.00 0.00 C ATOM 0 H1 MET A 1 -21.189 -27.885 8.997 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.218 -28.139 7.670 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.427 -29.455 8.395 1.00 0.00 H new ATOM 0 HA MET A 1 -20.374 -27.364 6.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.875 -28.859 8.802 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.052 -28.338 7.345 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.788 -25.984 7.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.498 -26.541 9.324 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.207 -24.546 10.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.219 -24.223 8.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.980 -24.605 10.491 1.00 0.00 H new ATOM 20 N ARG A 2 -19.767 -29.132 4.986 1.00 0.00 N ATOM 21 CA ARG A 2 -19.611 -30.146 3.937 1.00 0.00 C ATOM 22 C ARG A 2 -18.346 -29.896 3.115 1.00 0.00 C ATOM 23 O ARG A 2 -17.612 -30.837 2.798 1.00 0.00 O ATOM 24 CB ARG A 2 -20.837 -30.167 3.015 1.00 0.00 C ATOM 25 CG ARG A 2 -22.071 -30.797 3.644 1.00 0.00 C ATOM 26 CD ARG A 2 -23.259 -30.763 2.696 1.00 0.00 C ATOM 27 NE ARG A 2 -24.471 -31.316 3.311 1.00 0.00 N ATOM 28 CZ ARG A 2 -25.720 -31.078 2.884 1.00 0.00 C ATOM 29 NH1 ARG A 2 -25.951 -30.293 1.833 1.00 0.00 N ATOM 30 NH2 ARG A 2 -26.745 -31.632 3.518 1.00 0.00 N ATOM 0 H ARG A 2 -19.620 -28.176 4.664 1.00 0.00 H new ATOM 0 HA ARG A 2 -19.521 -31.116 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -21.074 -29.145 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -20.586 -30.713 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -21.854 -31.829 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -22.322 -30.268 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -23.446 -29.735 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -23.020 -31.328 1.795 1.00 0.00 H new ATOM 0 HE ARG A 2 -24.355 -31.925 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -25.171 -29.861 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -26.908 -30.124 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -26.581 -32.234 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -27.698 -31.456 3.199 1.00 0.00 H new ATOM 44 N GLY A 3 -18.102 -28.623 2.776 1.00 0.00 N ATOM 45 CA GLY A 3 -16.929 -28.254 1.995 1.00 0.00 C ATOM 46 C GLY A 3 -17.272 -27.881 0.565 1.00 0.00 C ATOM 47 O GLY A 3 -16.642 -28.374 -0.374 1.00 0.00 O ATOM 0 H GLY A 3 -18.702 -27.839 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -16.427 -27.414 2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -16.224 -29.086 1.990 1.00 0.00 H new ATOM 51 N SER A 4 -18.273 -27.009 0.407 1.00 0.00 N ATOM 52 CA SER A 4 -18.712 -26.557 -0.914 1.00 0.00 C ATOM 53 C SER A 4 -18.231 -25.136 -1.185 1.00 0.00 C ATOM 54 O SER A 4 -18.250 -24.288 -0.289 1.00 0.00 O ATOM 55 CB SER A 4 -20.238 -26.623 -1.020 1.00 0.00 C ATOM 56 OG SER A 4 -20.704 -27.952 -0.867 1.00 0.00 O ATOM 0 H SER A 4 -18.796 -26.601 1.182 1.00 0.00 H new ATOM 0 HA SER A 4 -18.277 -27.219 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 4 -20.686 -25.987 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 4 -20.555 -26.232 -1.987 1.00 0.00 H new ATOM 0 HG SER A 4 -21.681 -27.966 -0.937 1.00 0.00 H new ATOM 62 N HIS A 5 -17.803 -24.889 -2.427 1.00 0.00 N ATOM 63 CA HIS A 5 -17.310 -23.573 -2.831 1.00 0.00 C ATOM 64 C HIS A 5 -18.075 -23.051 -4.046 1.00 0.00 C ATOM 65 O HIS A 5 -18.588 -23.837 -4.848 1.00 0.00 O ATOM 66 CB HIS A 5 -15.814 -23.643 -3.144 1.00 0.00 C ATOM 67 CG HIS A 5 -15.043 -22.461 -2.645 1.00 0.00 C ATOM 68 ND1 HIS A 5 -15.015 -21.248 -3.300 1.00 0.00 N ATOM 69 CD2 HIS A 5 -14.268 -22.311 -1.544 1.00 0.00 C ATOM 70 CE1 HIS A 5 -14.254 -20.404 -2.626 1.00 0.00 C ATOM 71 NE2 HIS A 5 -13.791 -21.024 -1.557 1.00 0.00 N ATOM 0 H HIS A 5 -17.789 -25.587 -3.171 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.470 -22.882 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -15.401 -24.549 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -15.680 -23.725 -4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -14.064 -23.063 -0.796 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.046 -19.381 -2.903 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -13.177 -20.613 -0.854 1.00 0.00 H new ATOM 80 N HIS A 6 -18.142 -21.721 -4.170 1.00 0.00 N ATOM 81 CA HIS A 6 -18.841 -21.072 -5.281 1.00 0.00 C ATOM 82 C HIS A 6 -17.880 -20.695 -6.409 1.00 0.00 C ATOM 83 O HIS A 6 -18.206 -20.867 -7.588 1.00 0.00 O ATOM 84 CB HIS A 6 -19.582 -19.825 -4.790 1.00 0.00 C ATOM 85 CG HIS A 6 -21.004 -20.085 -4.401 1.00 0.00 C ATOM 86 ND1 HIS A 6 -21.410 -20.265 -3.095 1.00 0.00 N ATOM 87 CD2 HIS A 6 -22.122 -20.187 -5.159 1.00 0.00 C ATOM 88 CE1 HIS A 6 -22.716 -20.467 -3.067 1.00 0.00 C ATOM 89 NE2 HIS A 6 -23.171 -20.424 -4.304 1.00 0.00 N ATOM 0 H HIS A 6 -17.717 -21.071 -3.509 1.00 0.00 H new ATOM 0 HA HIS A 6 -19.562 -21.788 -5.677 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.050 -19.411 -3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -19.562 -19.068 -5.574 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.178 -20.099 -6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.310 -20.638 -2.181 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -24.145 -20.547 -4.581 1.00 0.00 H new ATOM 98 N HIS A 7 -16.701 -20.180 -6.039 1.00 0.00 N ATOM 99 CA HIS A 7 -15.694 -19.766 -7.015 1.00 0.00 C ATOM 100 C HIS A 7 -14.461 -20.664 -6.946 1.00 0.00 C ATOM 101 O HIS A 7 -13.984 -20.995 -5.856 1.00 0.00 O ATOM 102 CB HIS A 7 -15.292 -18.309 -6.773 1.00 0.00 C ATOM 103 CG HIS A 7 -14.958 -17.561 -8.028 1.00 0.00 C ATOM 104 ND1 HIS A 7 -13.753 -17.694 -8.688 1.00 0.00 N ATOM 105 CD2 HIS A 7 -15.682 -16.672 -8.748 1.00 0.00 C ATOM 106 CE1 HIS A 7 -13.751 -16.917 -9.756 1.00 0.00 C ATOM 107 NE2 HIS A 7 -14.910 -16.288 -9.815 1.00 0.00 N ATOM 0 H HIS A 7 -16.424 -20.041 -5.067 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.130 -19.858 -8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.106 -17.797 -6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -14.430 -18.285 -6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -16.681 -16.329 -8.524 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.939 -16.814 -10.461 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.187 -15.623 -10.538 1.00 0.00 H new ATOM 116 N HIS A 8 -13.958 -21.050 -8.121 1.00 0.00 N ATOM 117 CA HIS A 8 -12.774 -21.903 -8.227 1.00 0.00 C ATOM 118 C HIS A 8 -11.710 -21.237 -9.089 1.00 0.00 C ATOM 119 O HIS A 8 -12.005 -20.754 -10.186 1.00 0.00 O ATOM 120 CB HIS A 8 -13.146 -23.266 -8.816 1.00 0.00 C ATOM 121 CG HIS A 8 -13.877 -24.155 -7.860 1.00 0.00 C ATOM 122 ND1 HIS A 8 -15.250 -24.143 -7.718 1.00 0.00 N ATOM 123 CD2 HIS A 8 -13.419 -25.093 -6.995 1.00 0.00 C ATOM 124 CE1 HIS A 8 -15.604 -25.032 -6.807 1.00 0.00 C ATOM 125 NE2 HIS A 8 -14.513 -25.621 -6.354 1.00 0.00 N ATOM 0 H HIS A 8 -14.358 -20.782 -9.020 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.371 -22.051 -7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.764 -23.113 -9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.237 -23.770 -9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.388 -25.373 -6.839 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.614 -25.241 -6.487 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.487 -26.351 -5.642 1.00 0.00 H new ATOM 134 N HIS A 9 -10.473 -21.216 -8.582 1.00 0.00 N ATOM 135 CA HIS A 9 -9.353 -20.610 -9.296 1.00 0.00 C ATOM 136 C HIS A 9 -8.512 -21.680 -9.991 1.00 0.00 C ATOM 137 O HIS A 9 -7.908 -22.536 -9.334 1.00 0.00 O ATOM 138 CB HIS A 9 -8.487 -19.791 -8.333 1.00 0.00 C ATOM 139 CG HIS A 9 -7.942 -18.537 -8.941 1.00 0.00 C ATOM 140 ND1 HIS A 9 -8.556 -17.309 -8.810 1.00 0.00 N ATOM 141 CD2 HIS A 9 -6.833 -18.322 -9.689 1.00 0.00 C ATOM 142 CE1 HIS A 9 -7.851 -16.394 -9.450 1.00 0.00 C ATOM 143 NE2 HIS A 9 -6.801 -16.983 -9.992 1.00 0.00 N ATOM 0 H HIS A 9 -10.225 -21.614 -7.676 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.754 -19.942 -10.058 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.079 -19.532 -7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.658 -20.408 -7.988 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.109 -19.065 -9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.092 -15.343 -9.518 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.082 -16.518 -10.546 1.00 0.00 H new ATOM 152 N HIS A 10 -8.517 -21.644 -11.331 1.00 0.00 N ATOM 153 CA HIS A 10 -7.754 -22.595 -12.151 1.00 0.00 C ATOM 154 C HIS A 10 -7.282 -21.922 -13.438 1.00 0.00 C ATOM 155 O HIS A 10 -8.050 -21.210 -14.091 1.00 0.00 O ATOM 156 CB HIS A 10 -8.607 -23.826 -12.491 1.00 0.00 C ATOM 157 CG HIS A 10 -7.809 -25.084 -12.647 1.00 0.00 C ATOM 158 ND1 HIS A 10 -7.299 -25.508 -13.856 1.00 0.00 N ATOM 159 CD2 HIS A 10 -7.424 -26.008 -11.734 1.00 0.00 C ATOM 160 CE1 HIS A 10 -6.635 -26.637 -13.680 1.00 0.00 C ATOM 161 NE2 HIS A 10 -6.696 -26.961 -12.402 1.00 0.00 N ATOM 0 H HIS A 10 -9.046 -20.961 -11.873 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.886 -22.920 -11.577 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.349 -23.971 -11.706 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.153 -23.635 -13.415 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.648 -25.997 -10.678 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.129 -27.199 -14.451 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.271 -27.786 -11.979 1.00 0.00 H new ATOM 170 N GLY A 11 -6.012 -22.153 -13.786 1.00 0.00 N ATOM 171 CA GLY A 11 -5.440 -21.570 -14.990 1.00 0.00 C ATOM 172 C GLY A 11 -4.195 -20.754 -14.708 1.00 0.00 C ATOM 173 O GLY A 11 -3.287 -21.221 -14.014 1.00 0.00 O ATOM 0 H GLY A 11 -5.369 -22.737 -13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.197 -22.366 -15.694 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.184 -20.936 -15.471 1.00 0.00 H new ATOM 177 N SER A 12 -4.162 -19.531 -15.247 1.00 0.00 N ATOM 178 CA SER A 12 -3.021 -18.626 -15.074 1.00 0.00 C ATOM 179 C SER A 12 -3.219 -17.650 -13.927 1.00 0.00 C ATOM 180 O SER A 12 -4.335 -17.462 -13.434 1.00 0.00 O ATOM 181 CB SER A 12 -2.791 -17.800 -16.333 1.00 0.00 C ATOM 182 OG SER A 12 -1.796 -18.375 -17.160 1.00 0.00 O ATOM 0 H SER A 12 -4.918 -19.143 -15.811 1.00 0.00 H new ATOM 0 HA SER A 12 -2.166 -19.267 -14.860 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.724 -17.717 -16.890 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.494 -16.788 -16.056 1.00 0.00 H new ATOM 0 HG SER A 12 -1.675 -17.821 -17.959 1.00 0.00 H new ATOM 188 N ALA A 13 -2.101 -17.041 -13.509 1.00 0.00 N ATOM 189 CA ALA A 13 -2.089 -16.027 -12.478 1.00 0.00 C ATOM 190 C ALA A 13 -0.819 -15.184 -12.598 1.00 0.00 C ATOM 191 O ALA A 13 0.287 -15.665 -12.326 1.00 0.00 O ATOM 192 CB ALA A 13 -2.222 -16.635 -11.082 1.00 0.00 C ATOM 0 H ALA A 13 -1.178 -17.249 -13.889 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.956 -15.382 -12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.209 -15.840 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.162 -17.183 -11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.391 -17.316 -10.901 1.00 0.00 H new ATOM 198 N THR A 14 -0.989 -13.924 -13.016 1.00 0.00 N ATOM 199 CA THR A 14 0.123 -13.006 -13.223 1.00 0.00 C ATOM 200 C THR A 14 0.418 -12.128 -11.994 1.00 0.00 C ATOM 201 O THR A 14 1.518 -11.581 -11.877 1.00 0.00 O ATOM 202 CB THR A 14 -0.124 -12.123 -14.482 1.00 0.00 C ATOM 203 OG1 THR A 14 1.023 -11.308 -14.755 1.00 0.00 O ATOM 204 CG2 THR A 14 -1.363 -11.229 -14.349 1.00 0.00 C ATOM 0 H THR A 14 -1.903 -13.518 -13.218 1.00 0.00 H new ATOM 0 HA THR A 14 1.008 -13.621 -13.383 1.00 0.00 H new ATOM 0 HB THR A 14 -0.301 -12.810 -15.310 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.474 -11.086 -13.914 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.484 -10.637 -15.256 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.246 -11.851 -14.201 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.241 -10.563 -13.495 1.00 0.00 H new ATOM 212 N TYR A 15 -0.560 -12.006 -11.092 1.00 0.00 N ATOM 213 CA TYR A 15 -0.420 -11.189 -9.907 1.00 0.00 C ATOM 214 C TYR A 15 -0.092 -12.003 -8.679 1.00 0.00 C ATOM 215 O TYR A 15 -0.842 -12.897 -8.275 1.00 0.00 O ATOM 216 CB TYR A 15 -1.668 -10.360 -9.710 1.00 0.00 C ATOM 217 CG TYR A 15 -1.515 -8.928 -10.177 1.00 0.00 C ATOM 218 CD1 TYR A 15 -0.805 -8.001 -9.423 1.00 0.00 C ATOM 219 CD2 TYR A 15 -2.070 -8.508 -11.379 1.00 0.00 C ATOM 220 CE1 TYR A 15 -0.654 -6.696 -9.853 1.00 0.00 C ATOM 221 CE2 TYR A 15 -1.924 -7.205 -11.815 1.00 0.00 C ATOM 222 CZ TYR A 15 -1.215 -6.305 -11.051 1.00 0.00 C ATOM 223 OH TYR A 15 -1.065 -5.008 -11.485 1.00 0.00 O ATOM 0 H TYR A 15 -1.463 -12.473 -11.172 1.00 0.00 H new ATOM 0 HA TYR A 15 0.428 -10.521 -10.057 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.493 -10.825 -10.249 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.935 -10.364 -8.653 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.364 -8.305 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.625 -9.211 -11.983 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.100 -5.987 -9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.364 -6.894 -12.751 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.519 -4.897 -12.346 1.00 0.00 H new ATOM 233 N THR A 16 1.046 -11.646 -8.088 1.00 0.00 N ATOM 234 CA THR A 16 1.565 -12.328 -6.917 1.00 0.00 C ATOM 235 C THR A 16 1.338 -11.562 -5.608 1.00 0.00 C ATOM 236 O THR A 16 1.520 -10.343 -5.553 1.00 0.00 O ATOM 237 CB THR A 16 3.078 -12.581 -7.077 1.00 0.00 C ATOM 238 OG1 THR A 16 3.732 -11.384 -7.520 1.00 0.00 O ATOM 239 CG2 THR A 16 3.336 -13.699 -8.072 1.00 0.00 C ATOM 0 H THR A 16 1.630 -10.875 -8.412 1.00 0.00 H new ATOM 0 HA THR A 16 1.012 -13.265 -6.851 1.00 0.00 H new ATOM 0 HB THR A 16 3.478 -12.877 -6.107 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.692 -11.553 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.410 -13.860 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.862 -14.616 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.921 -13.425 -9.042 1.00 0.00 H new ATOM 247 N ARG A 17 0.931 -12.304 -4.560 1.00 0.00 N ATOM 248 CA ARG A 17 0.714 -11.755 -3.233 1.00 0.00 C ATOM 249 C ARG A 17 1.962 -11.959 -2.354 1.00 0.00 C ATOM 250 O ARG A 17 2.321 -13.104 -2.052 1.00 0.00 O ATOM 251 CB ARG A 17 -0.495 -12.424 -2.558 1.00 0.00 C ATOM 252 CG ARG A 17 -1.527 -11.436 -2.025 1.00 0.00 C ATOM 253 CD ARG A 17 -2.593 -11.103 -3.062 1.00 0.00 C ATOM 254 NE ARG A 17 -2.053 -10.391 -4.229 1.00 0.00 N ATOM 255 CZ ARG A 17 -2.268 -9.094 -4.501 1.00 0.00 C ATOM 256 NH1 ARG A 17 -3.013 -8.335 -3.699 1.00 0.00 N ATOM 257 NH2 ARG A 17 -1.734 -8.557 -5.589 1.00 0.00 N ATOM 0 H ARG A 17 0.746 -13.305 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 17 0.518 -10.688 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.978 -13.088 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.142 -13.046 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.003 -11.854 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.024 -10.520 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.070 -12.025 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.367 -10.493 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.473 -10.921 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.432 -8.737 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.164 -7.352 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.164 -9.129 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.893 -7.572 -5.802 1.00 0.00 H new ATOM 271 N PRO A 18 2.665 -10.860 -1.944 1.00 0.00 N ATOM 272 CA PRO A 18 3.866 -10.954 -1.078 1.00 0.00 C ATOM 273 C PRO A 18 3.559 -11.483 0.330 1.00 0.00 C ATOM 274 O PRO A 18 4.428 -12.077 0.976 1.00 0.00 O ATOM 275 CB PRO A 18 4.365 -9.510 -0.978 1.00 0.00 C ATOM 276 CG PRO A 18 3.695 -8.769 -2.083 1.00 0.00 C ATOM 277 CD PRO A 18 2.383 -9.458 -2.316 1.00 0.00 C ATOM 0 HA PRO A 18 4.588 -11.653 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.115 -9.077 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.449 -9.464 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.543 -7.724 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.306 -8.780 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.590 -9.031 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.063 -9.374 -3.355 1.00 0.00 H new ATOM 285 N LEU A 19 2.318 -11.270 0.783 1.00 0.00 N ATOM 286 CA LEU A 19 1.876 -11.704 2.093 1.00 0.00 C ATOM 287 C LEU A 19 0.536 -12.389 2.004 1.00 0.00 C ATOM 288 O LEU A 19 -0.002 -12.663 0.928 1.00 0.00 O ATOM 289 CB LEU A 19 1.733 -10.516 3.067 1.00 0.00 C ATOM 290 CG LEU A 19 2.583 -10.497 4.354 1.00 0.00 C ATOM 291 CD1 LEU A 19 2.103 -11.547 5.357 1.00 0.00 C ATOM 292 CD2 LEU A 19 4.063 -10.692 4.059 1.00 0.00 C ATOM 0 H LEU A 19 1.598 -10.790 0.243 1.00 0.00 H new ATOM 0 HA LEU A 19 2.634 -12.393 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.958 -9.606 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.686 -10.458 3.364 1.00 0.00 H new ATOM 0 HG LEU A 19 2.454 -9.510 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.724 -11.506 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.066 -11.346 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.177 -12.538 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.626 -10.672 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.212 -11.652 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.413 -9.891 3.407 1.00 0.00 H new ATOM 304 N ASP A 20 0.042 -12.642 3.181 1.00 0.00 N ATOM 305 CA ASP A 20 -1.243 -13.239 3.417 1.00 0.00 C ATOM 306 C ASP A 20 -2.001 -12.387 4.408 1.00 0.00 C ATOM 307 O ASP A 20 -3.236 -12.389 4.443 1.00 0.00 O ATOM 308 CB ASP A 20 -1.091 -14.637 3.980 1.00 0.00 C ATOM 309 CG ASP A 20 -1.663 -15.700 3.068 1.00 0.00 C ATOM 310 OD1 ASP A 20 -2.891 -15.928 3.115 1.00 0.00 O ATOM 311 OD2 ASP A 20 -0.884 -16.309 2.306 1.00 0.00 O ATOM 0 H ASP A 20 0.546 -12.429 4.042 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.783 -13.301 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.034 -14.842 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.588 -14.690 4.949 1.00 0.00 H new ATOM 316 N THR A 21 -1.226 -11.646 5.213 1.00 0.00 N ATOM 317 CA THR A 21 -1.755 -10.795 6.258 1.00 0.00 C ATOM 318 C THR A 21 -0.679 -9.848 6.841 1.00 0.00 C ATOM 319 O THR A 21 0.392 -9.660 6.273 1.00 0.00 O ATOM 320 CB THR A 21 -2.437 -11.654 7.370 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.228 -10.825 8.227 1.00 0.00 O ATOM 322 CG2 THR A 21 -1.431 -12.449 8.211 1.00 0.00 C ATOM 0 H THR A 21 -0.208 -11.629 5.147 1.00 0.00 H new ATOM 0 HA THR A 21 -2.515 -10.154 5.811 1.00 0.00 H new ATOM 0 HB THR A 21 -3.074 -12.374 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.650 -11.377 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.964 -13.026 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.872 -13.126 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.741 -11.761 8.700 1.00 0.00 H new ATOM 330 N GLY A 22 -1.046 -9.224 7.944 1.00 0.00 N ATOM 331 CA GLY A 22 -0.184 -8.323 8.697 1.00 0.00 C ATOM 332 C GLY A 22 -0.947 -7.628 9.812 1.00 0.00 C ATOM 333 O GLY A 22 -1.794 -6.775 9.542 1.00 0.00 O ATOM 0 H GLY A 22 -1.974 -9.330 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.650 -8.883 9.119 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.241 -7.577 8.025 1.00 0.00 H new ATOM 337 N ASN A 23 -0.622 -7.974 11.073 1.00 0.00 N ATOM 338 CA ASN A 23 -1.300 -7.411 12.247 1.00 0.00 C ATOM 339 C ASN A 23 -0.415 -7.368 13.467 1.00 0.00 C ATOM 340 O ASN A 23 0.122 -8.387 13.913 1.00 0.00 O ATOM 341 CB ASN A 23 -2.602 -8.183 12.554 1.00 0.00 C ATOM 342 CG ASN A 23 -2.431 -9.694 12.458 1.00 0.00 C ATOM 343 OD1 ASN A 23 -2.290 -10.384 13.468 1.00 0.00 O ATOM 344 ND2 ASN A 23 -2.426 -10.204 11.230 1.00 0.00 N ATOM 0 H ASN A 23 0.111 -8.645 11.301 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.548 -6.380 11.996 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.945 -7.924 13.556 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.379 -7.865 11.859 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.302 -11.207 11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.547 -9.592 10.423 1.00 0.00 H new ATOM 351 N ILE A 24 -0.307 -6.158 14.006 1.00 0.00 N ATOM 352 CA ILE A 24 0.475 -5.900 15.204 1.00 0.00 C ATOM 353 C ILE A 24 -0.476 -5.751 16.384 1.00 0.00 C ATOM 354 O ILE A 24 -0.512 -4.734 17.090 1.00 0.00 O ATOM 355 CB ILE A 24 1.362 -4.637 15.096 1.00 0.00 C ATOM 356 CG1 ILE A 24 1.633 -4.235 13.635 1.00 0.00 C ATOM 357 CG2 ILE A 24 2.676 -4.821 15.851 1.00 0.00 C ATOM 358 CD1 ILE A 24 0.468 -3.519 12.984 1.00 0.00 C ATOM 0 H ILE A 24 -0.761 -5.329 13.622 1.00 0.00 H new ATOM 0 HA ILE A 24 1.150 -6.745 15.340 1.00 0.00 H new ATOM 0 HB ILE A 24 0.804 -3.823 15.559 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.512 -3.591 13.600 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.870 -5.129 13.058 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.279 -3.918 15.758 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.467 -5.011 16.904 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.221 -5.666 15.431 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.726 -3.264 11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.407 -4.169 12.988 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.245 -2.608 13.539 1.00 0.00 H new ATOM 370 N THR A 25 -1.217 -6.808 16.575 1.00 0.00 N ATOM 371 CA THR A 25 -2.200 -6.925 17.654 1.00 0.00 C ATOM 372 C THR A 25 -1.634 -7.740 18.820 1.00 0.00 C ATOM 373 O THR A 25 -2.012 -7.536 19.978 1.00 0.00 O ATOM 374 CB THR A 25 -3.524 -7.559 17.132 1.00 0.00 C ATOM 375 OG1 THR A 25 -4.450 -7.764 18.209 1.00 0.00 O ATOM 376 CG2 THR A 25 -3.289 -8.882 16.394 1.00 0.00 C ATOM 0 H THR A 25 -1.165 -7.636 15.982 1.00 0.00 H new ATOM 0 HA THR A 25 -2.423 -5.922 18.016 1.00 0.00 H new ATOM 0 HB THR A 25 -3.947 -6.852 16.418 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.275 -8.161 17.860 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.243 -9.282 16.051 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.638 -8.710 15.537 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.818 -9.597 17.069 1.00 0.00 H new ATOM 384 N THR A 26 -0.722 -8.646 18.485 1.00 0.00 N ATOM 385 CA THR A 26 -0.072 -9.509 19.476 1.00 0.00 C ATOM 386 C THR A 26 1.432 -9.234 19.519 1.00 0.00 C ATOM 387 O THR A 26 1.958 -8.735 20.519 1.00 0.00 O ATOM 388 CB THR A 26 -0.345 -11.012 19.183 1.00 0.00 C ATOM 389 OG1 THR A 26 -1.699 -11.190 18.746 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.104 -11.875 20.417 1.00 0.00 C ATOM 0 H THR A 26 -0.411 -8.806 17.527 1.00 0.00 H new ATOM 0 HA THR A 26 -0.498 -9.278 20.453 1.00 0.00 H new ATOM 0 HB THR A 26 0.346 -11.324 18.400 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.861 -12.139 18.562 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.304 -12.919 20.176 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.932 -11.769 20.738 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.767 -11.555 21.220 1.00 0.00 H new ATOM 398 N GLY A 27 2.092 -9.562 18.421 1.00 0.00 N ATOM 399 CA GLY A 27 3.530 -9.367 18.289 1.00 0.00 C ATOM 400 C GLY A 27 3.997 -9.567 16.861 1.00 0.00 C ATOM 401 O GLY A 27 3.751 -10.622 16.272 1.00 0.00 O ATOM 0 H GLY A 27 1.650 -9.970 17.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.792 -8.362 18.620 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.053 -10.064 18.943 1.00 0.00 H new ATOM 405 N PHE A 28 4.696 -8.561 16.312 1.00 0.00 N ATOM 406 CA PHE A 28 5.180 -8.609 14.933 1.00 0.00 C ATOM 407 C PHE A 28 6.357 -9.548 14.736 1.00 0.00 C ATOM 408 O PHE A 28 7.046 -9.917 15.689 1.00 0.00 O ATOM 409 CB PHE A 28 5.472 -7.209 14.384 1.00 0.00 C ATOM 410 CG PHE A 28 4.825 -6.978 13.039 1.00 0.00 C ATOM 411 CD1 PHE A 28 3.441 -6.965 12.902 1.00 0.00 C ATOM 412 CD2 PHE A 28 5.598 -6.798 11.907 1.00 0.00 C ATOM 413 CE1 PHE A 28 2.852 -6.777 11.667 1.00 0.00 C ATOM 414 CE2 PHE A 28 5.015 -6.605 10.671 1.00 0.00 C ATOM 415 CZ PHE A 28 3.641 -6.595 10.551 1.00 0.00 C ATOM 0 H PHE A 28 4.937 -7.703 16.809 1.00 0.00 H new ATOM 0 HA PHE A 28 4.363 -9.031 14.348 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.113 -6.461 15.091 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.550 -7.073 14.295 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.818 -7.104 13.773 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.675 -6.809 11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.776 -6.773 11.576 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.635 -6.462 9.798 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.184 -6.445 9.584 1.00 0.00 H new ATOM 425 N ASN A 29 6.505 -9.973 13.472 1.00 0.00 N ATOM 426 CA ASN A 29 7.514 -10.918 13.008 1.00 0.00 C ATOM 427 C ASN A 29 8.975 -10.525 13.283 1.00 0.00 C ATOM 428 O ASN A 29 9.885 -10.874 12.519 1.00 0.00 O ATOM 429 CB ASN A 29 7.291 -11.135 11.519 1.00 0.00 C ATOM 430 CG ASN A 29 6.077 -11.978 11.220 1.00 0.00 C ATOM 431 OD1 ASN A 29 6.118 -13.206 11.285 1.00 0.00 O ATOM 432 ND2 ASN A 29 4.992 -11.310 10.879 1.00 0.00 N ATOM 0 H ASN A 29 5.896 -9.650 12.720 1.00 0.00 H new ATOM 0 HA ASN A 29 7.380 -11.832 13.587 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.184 -10.167 11.029 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.172 -11.613 11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.133 -11.813 10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.012 -10.291 10.840 1.00 0.00 H new ATOM 439 N GLY A 30 9.184 -9.827 14.382 1.00 0.00 N ATOM 440 CA GLY A 30 10.518 -9.400 14.763 1.00 0.00 C ATOM 441 C GLY A 30 10.734 -7.941 14.464 1.00 0.00 C ATOM 442 O GLY A 30 11.825 -7.411 14.686 1.00 0.00 O ATOM 0 H GLY A 30 8.447 -9.543 15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.670 -9.581 15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.259 -9.996 14.230 1.00 0.00 H new ATOM 446 N TYR A 31 9.685 -7.311 13.931 1.00 0.00 N ATOM 447 CA TYR A 31 9.710 -5.877 13.618 1.00 0.00 C ATOM 448 C TYR A 31 8.941 -5.115 14.722 1.00 0.00 C ATOM 449 O TYR A 31 7.740 -4.854 14.574 1.00 0.00 O ATOM 450 CB TYR A 31 9.094 -5.583 12.229 1.00 0.00 C ATOM 451 CG TYR A 31 9.524 -6.523 11.106 1.00 0.00 C ATOM 452 CD1 TYR A 31 9.053 -7.834 11.031 1.00 0.00 C ATOM 453 CD2 TYR A 31 10.393 -6.089 10.113 1.00 0.00 C ATOM 454 CE1 TYR A 31 9.440 -8.676 10.005 1.00 0.00 C ATOM 455 CE2 TYR A 31 10.783 -6.926 9.085 1.00 0.00 C ATOM 456 CZ TYR A 31 10.305 -8.218 9.037 1.00 0.00 C ATOM 457 OH TYR A 31 10.689 -9.052 8.013 1.00 0.00 O ATOM 0 H TYR A 31 8.803 -7.772 13.706 1.00 0.00 H new ATOM 0 HA TYR A 31 10.747 -5.543 13.584 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.008 -5.623 12.317 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.353 -4.563 11.945 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.374 -8.198 11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.771 -5.078 10.145 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.066 -9.688 9.963 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.459 -6.569 8.322 1.00 0.00 H new ATOM 0 HH TYR A 31 11.301 -8.575 7.414 1.00 0.00 H new ATOM 467 N PRO A 32 9.610 -4.753 15.866 1.00 0.00 N ATOM 468 CA PRO A 32 8.956 -4.054 16.987 1.00 0.00 C ATOM 469 C PRO A 32 8.724 -2.566 16.722 1.00 0.00 C ATOM 470 O PRO A 32 9.572 -1.898 16.122 1.00 0.00 O ATOM 471 CB PRO A 32 9.938 -4.226 18.161 1.00 0.00 C ATOM 472 CG PRO A 32 11.037 -5.110 17.661 1.00 0.00 C ATOM 473 CD PRO A 32 11.037 -4.981 16.168 1.00 0.00 C ATOM 0 HA PRO A 32 7.964 -4.467 17.170 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.331 -3.262 18.484 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.441 -4.673 19.022 1.00 0.00 H new ATOM 0 HG2 PRO A 32 11.998 -4.808 18.077 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.871 -6.144 17.962 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.660 -4.152 15.833 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.416 -5.881 15.683 1.00 0.00 H new ATOM 481 N GLY A 33 7.567 -2.065 17.174 1.00 0.00 N ATOM 482 CA GLY A 33 7.224 -0.655 16.993 1.00 0.00 C ATOM 483 C GLY A 33 6.511 -0.378 15.676 1.00 0.00 C ATOM 484 O GLY A 33 6.203 0.774 15.361 1.00 0.00 O ATOM 0 H GLY A 33 6.860 -2.613 17.664 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.589 -0.333 17.818 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.134 -0.057 17.039 1.00 0.00 H new ATOM 488 N HIS A 34 6.230 -1.454 14.929 1.00 0.00 N ATOM 489 CA HIS A 34 5.570 -1.393 13.641 1.00 0.00 C ATOM 490 C HIS A 34 4.059 -1.227 13.816 1.00 0.00 C ATOM 491 O HIS A 34 3.432 -1.963 14.584 1.00 0.00 O ATOM 492 CB HIS A 34 5.894 -2.676 12.857 1.00 0.00 C ATOM 493 CG HIS A 34 5.844 -2.524 11.364 1.00 0.00 C ATOM 494 ND1 HIS A 34 5.100 -3.333 10.541 1.00 0.00 N ATOM 495 CD2 HIS A 34 6.448 -1.622 10.546 1.00 0.00 C ATOM 496 CE1 HIS A 34 5.269 -2.904 9.285 1.00 0.00 C ATOM 497 NE2 HIS A 34 6.074 -1.868 9.240 1.00 0.00 N ATOM 0 H HIS A 34 6.464 -2.404 15.218 1.00 0.00 H new ATOM 0 HA HIS A 34 5.932 -0.528 13.085 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.889 -3.019 13.141 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.192 -3.455 13.154 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.522 -4.120 10.835 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.116 -0.836 10.867 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.803 -3.352 8.420 1.00 0.00 H new ATOM 505 N VAL A 35 3.501 -0.243 13.117 1.00 0.00 N ATOM 506 CA VAL A 35 2.066 0.054 13.178 1.00 0.00 C ATOM 507 C VAL A 35 1.346 -0.424 11.912 1.00 0.00 C ATOM 508 O VAL A 35 0.118 -0.351 11.829 1.00 0.00 O ATOM 509 CB VAL A 35 1.773 1.572 13.376 1.00 0.00 C ATOM 510 CG1 VAL A 35 1.262 1.870 14.786 1.00 0.00 C ATOM 511 CG2 VAL A 35 2.991 2.441 13.062 1.00 0.00 C ATOM 0 H VAL A 35 4.025 0.371 12.493 1.00 0.00 H new ATOM 0 HA VAL A 35 1.690 -0.485 14.047 1.00 0.00 H new ATOM 0 HB VAL A 35 0.988 1.826 12.664 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.069 2.938 14.885 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.340 1.317 14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.012 1.568 15.516 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.738 3.490 13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.814 2.166 13.722 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.291 2.287 12.025 1.00 0.00 H new ATOM 521 N GLY A 36 2.117 -0.916 10.937 1.00 0.00 N ATOM 522 CA GLY A 36 1.550 -1.401 9.695 1.00 0.00 C ATOM 523 C GLY A 36 2.085 -2.767 9.327 1.00 0.00 C ATOM 524 O GLY A 36 2.426 -3.567 10.205 1.00 0.00 O ATOM 0 H GLY A 36 3.133 -0.985 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.465 -1.448 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.773 -0.696 8.894 1.00 0.00 H new ATOM 528 N VAL A 37 2.146 -3.024 8.027 1.00 0.00 N ATOM 529 CA VAL A 37 2.650 -4.290 7.491 1.00 0.00 C ATOM 530 C VAL A 37 3.671 -4.019 6.366 1.00 0.00 C ATOM 531 O VAL A 37 3.582 -2.999 5.675 1.00 0.00 O ATOM 532 CB VAL A 37 1.479 -5.214 7.011 1.00 0.00 C ATOM 533 CG1 VAL A 37 0.674 -4.576 5.885 1.00 0.00 C ATOM 534 CG2 VAL A 37 1.980 -6.601 6.599 1.00 0.00 C ATOM 0 H VAL A 37 1.848 -2.362 7.310 1.00 0.00 H new ATOM 0 HA VAL A 37 3.163 -4.827 8.289 1.00 0.00 H new ATOM 0 HB VAL A 37 0.814 -5.339 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.127 -5.251 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.245 -3.636 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.327 -4.385 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.137 -7.210 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.694 -6.502 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.466 -7.080 7.449 1.00 0.00 H new ATOM 544 N ASP A 38 4.620 -4.947 6.187 1.00 0.00 N ATOM 545 CA ASP A 38 5.660 -4.803 5.167 1.00 0.00 C ATOM 546 C ASP A 38 5.738 -6.024 4.268 1.00 0.00 C ATOM 547 O ASP A 38 5.667 -7.166 4.732 1.00 0.00 O ATOM 548 CB ASP A 38 7.011 -4.493 5.833 1.00 0.00 C ATOM 549 CG ASP A 38 7.011 -3.129 6.498 1.00 0.00 C ATOM 550 OD1 ASP A 38 6.234 -2.249 6.057 1.00 0.00 O ATOM 551 OD2 ASP A 38 7.713 -2.977 7.519 1.00 0.00 O ATOM 0 H ASP A 38 4.687 -5.804 6.736 1.00 0.00 H new ATOM 0 HA ASP A 38 5.397 -3.964 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.235 -5.259 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.803 -4.533 5.085 1.00 0.00 H new ATOM 556 N TYR A 39 5.895 -5.748 2.969 1.00 0.00 N ATOM 557 CA TYR A 39 5.952 -6.785 1.936 1.00 0.00 C ATOM 558 C TYR A 39 7.226 -6.644 1.103 1.00 0.00 C ATOM 559 O TYR A 39 7.356 -5.716 0.295 1.00 0.00 O ATOM 560 CB TYR A 39 4.738 -6.698 0.990 1.00 0.00 C ATOM 561 CG TYR A 39 3.380 -6.493 1.642 1.00 0.00 C ATOM 562 CD1 TYR A 39 3.035 -5.258 2.166 1.00 0.00 C ATOM 563 CD2 TYR A 39 2.432 -7.512 1.697 1.00 0.00 C ATOM 564 CE1 TYR A 39 1.798 -5.039 2.723 1.00 0.00 C ATOM 565 CE2 TYR A 39 1.187 -7.295 2.261 1.00 0.00 C ATOM 566 CZ TYR A 39 0.876 -6.059 2.768 1.00 0.00 C ATOM 567 OH TYR A 39 -0.365 -5.840 3.319 1.00 0.00 O ATOM 0 H TYR A 39 5.986 -4.799 2.605 1.00 0.00 H new ATOM 0 HA TYR A 39 5.944 -7.748 2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.908 -5.878 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.698 -7.615 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.752 -4.451 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.672 -8.485 1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.550 -4.068 3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.463 -8.096 2.302 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.894 -6.663 3.270 1.00 0.00 H new ATOM 577 N ALA A 40 8.161 -7.569 1.313 1.00 0.00 N ATOM 578 CA ALA A 40 9.437 -7.597 0.587 1.00 0.00 C ATOM 579 C ALA A 40 9.246 -7.722 -0.934 1.00 0.00 C ATOM 580 O ALA A 40 8.916 -8.796 -1.453 1.00 0.00 O ATOM 581 CB ALA A 40 10.317 -8.722 1.116 1.00 0.00 C ATOM 0 H ALA A 40 8.058 -8.323 1.992 1.00 0.00 H new ATOM 0 HA ALA A 40 9.932 -6.642 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.260 -8.733 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.513 -8.563 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.808 -9.676 0.980 1.00 0.00 H new ATOM 587 N VAL A 41 9.457 -6.597 -1.632 1.00 0.00 N ATOM 588 CA VAL A 41 9.321 -6.518 -3.080 1.00 0.00 C ATOM 589 C VAL A 41 10.308 -5.457 -3.627 1.00 0.00 C ATOM 590 O VAL A 41 10.320 -4.322 -3.139 1.00 0.00 O ATOM 591 CB VAL A 41 7.840 -6.228 -3.523 1.00 0.00 C ATOM 592 CG1 VAL A 41 7.330 -4.874 -3.029 1.00 0.00 C ATOM 593 CG2 VAL A 41 7.678 -6.347 -5.039 1.00 0.00 C ATOM 0 H VAL A 41 9.728 -5.715 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 41 9.572 -7.489 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 41 7.224 -6.992 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.303 -4.728 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.363 -4.848 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.959 -4.080 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.643 -6.141 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.333 -5.629 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.942 -7.356 -5.355 1.00 0.00 H new ATOM 603 N PRO A 42 11.134 -5.805 -4.657 1.00 0.00 N ATOM 604 CA PRO A 42 12.138 -4.885 -5.241 1.00 0.00 C ATOM 605 C PRO A 42 11.594 -3.544 -5.701 1.00 0.00 C ATOM 606 O PRO A 42 10.476 -3.414 -6.202 1.00 0.00 O ATOM 607 CB PRO A 42 12.725 -5.665 -6.430 1.00 0.00 C ATOM 608 CG PRO A 42 11.807 -6.820 -6.654 1.00 0.00 C ATOM 609 CD PRO A 42 11.171 -7.120 -5.327 1.00 0.00 C ATOM 0 HA PRO A 42 12.869 -4.612 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.786 -5.036 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.737 -6.007 -6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.051 -6.576 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.355 -7.685 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.171 -7.538 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 42 11.753 -7.844 -4.757 1.00 0.00 H new ATOM 617 N VAL A 43 12.458 -2.565 -5.490 1.00 0.00 N ATOM 618 CA VAL A 43 12.253 -1.160 -5.805 1.00 0.00 C ATOM 619 C VAL A 43 12.047 -0.896 -7.302 1.00 0.00 C ATOM 620 O VAL A 43 12.673 -1.544 -8.147 1.00 0.00 O ATOM 621 CB VAL A 43 13.474 -0.354 -5.257 1.00 0.00 C ATOM 622 CG1 VAL A 43 14.807 -0.975 -5.679 1.00 0.00 C ATOM 623 CG2 VAL A 43 13.434 1.129 -5.647 1.00 0.00 C ATOM 0 H VAL A 43 13.372 -2.738 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 43 11.329 -0.834 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 43 13.396 -0.409 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.628 -0.382 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.872 -1.993 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.872 -0.993 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.308 1.637 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.437 1.220 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.529 1.586 -5.247 1.00 0.00 H new ATOM 633 N GLY A 44 11.157 0.057 -7.600 1.00 0.00 N ATOM 634 CA GLY A 44 10.900 0.432 -8.968 1.00 0.00 C ATOM 635 C GLY A 44 9.683 -0.240 -9.573 1.00 0.00 C ATOM 636 O GLY A 44 9.388 -0.036 -10.754 1.00 0.00 O ATOM 0 H GLY A 44 10.613 0.572 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.769 1.513 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.774 0.188 -9.571 1.00 0.00 H new ATOM 640 N THR A 45 8.979 -1.041 -8.766 1.00 0.00 N ATOM 641 CA THR A 45 7.786 -1.730 -9.207 1.00 0.00 C ATOM 642 C THR A 45 6.555 -0.839 -8.976 1.00 0.00 C ATOM 643 O THR A 45 6.383 -0.328 -7.866 1.00 0.00 O ATOM 644 CB THR A 45 7.606 -3.084 -8.479 1.00 0.00 C ATOM 645 OG1 THR A 45 8.879 -3.720 -8.303 1.00 0.00 O ATOM 646 CG2 THR A 45 6.690 -4.022 -9.262 1.00 0.00 C ATOM 0 H THR A 45 9.228 -1.222 -7.794 1.00 0.00 H new ATOM 0 HA THR A 45 7.892 -1.938 -10.272 1.00 0.00 H new ATOM 0 HB THR A 45 7.151 -2.878 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.275 -3.429 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.586 -4.963 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.710 -3.560 -9.378 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.120 -4.213 -10.245 1.00 0.00 H new ATOM 654 N PRO A 46 5.674 -0.632 -10.006 1.00 0.00 N ATOM 655 CA PRO A 46 4.479 0.222 -9.858 1.00 0.00 C ATOM 656 C PRO A 46 3.540 -0.252 -8.745 1.00 0.00 C ATOM 657 O PRO A 46 3.137 -1.420 -8.709 1.00 0.00 O ATOM 658 CB PRO A 46 3.774 0.127 -11.218 1.00 0.00 C ATOM 659 CG PRO A 46 4.821 -0.331 -12.172 1.00 0.00 C ATOM 660 CD PRO A 46 5.765 -1.190 -11.381 1.00 0.00 C ATOM 0 HA PRO A 46 4.760 1.238 -9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.941 -0.575 -11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.364 1.092 -11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.379 -0.894 -12.994 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.344 0.518 -12.612 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.471 -2.239 -11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.781 -1.133 -11.771 1.00 0.00 H new ATOM 668 N VAL A 47 3.215 0.674 -7.841 1.00 0.00 N ATOM 669 CA VAL A 47 2.339 0.419 -6.728 1.00 0.00 C ATOM 670 C VAL A 47 0.971 0.940 -7.058 1.00 0.00 C ATOM 671 O VAL A 47 0.790 2.113 -7.402 1.00 0.00 O ATOM 672 CB VAL A 47 2.840 1.045 -5.391 1.00 0.00 C ATOM 673 CG1 VAL A 47 2.082 0.475 -4.191 1.00 0.00 C ATOM 674 CG2 VAL A 47 4.338 0.833 -5.202 1.00 0.00 C ATOM 0 H VAL A 47 3.565 1.631 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 47 2.318 -0.659 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 47 2.646 2.116 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.455 0.932 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.019 0.690 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.231 -0.604 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.653 1.282 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.555 -0.235 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.878 1.300 -6.025 1.00 0.00 H new ATOM 684 N ARG A 48 0.034 0.029 -6.958 1.00 0.00 N ATOM 685 CA ARG A 48 -1.342 0.311 -7.241 1.00 0.00 C ATOM 686 C ARG A 48 -2.146 0.504 -5.980 1.00 0.00 C ATOM 687 O ARG A 48 -1.825 -0.052 -4.924 1.00 0.00 O ATOM 688 CB ARG A 48 -1.973 -0.791 -8.100 1.00 0.00 C ATOM 689 CG ARG A 48 -1.447 -0.843 -9.530 1.00 0.00 C ATOM 690 CD ARG A 48 -1.390 -2.267 -10.059 1.00 0.00 C ATOM 691 NE ARG A 48 -2.701 -2.731 -10.532 1.00 0.00 N ATOM 692 CZ ARG A 48 -3.412 -3.723 -9.975 1.00 0.00 C ATOM 693 NH1 ARG A 48 -2.961 -4.385 -8.909 1.00 0.00 N ATOM 694 NH2 ARG A 48 -4.585 -4.055 -10.494 1.00 0.00 N ATOM 0 H ARG A 48 0.212 -0.935 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.360 1.245 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.795 -1.755 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.053 -0.643 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.087 -0.241 -10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.451 -0.401 -9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.670 -2.322 -10.875 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.032 -2.932 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.101 -2.264 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.059 -4.140 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.518 -5.136 -8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.941 -3.558 -11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.132 -4.808 -10.077 1.00 0.00 H new ATOM 708 N ALA A 49 -3.222 1.278 -6.124 1.00 0.00 N ATOM 709 CA ALA A 49 -4.107 1.593 -5.024 1.00 0.00 C ATOM 710 C ALA A 49 -4.957 0.383 -4.656 1.00 0.00 C ATOM 711 O ALA A 49 -5.657 -0.176 -5.499 1.00 0.00 O ATOM 712 CB ALA A 49 -4.987 2.788 -5.367 1.00 0.00 C ATOM 0 H ALA A 49 -3.497 1.700 -7.011 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.498 1.857 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.645 3.008 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.359 3.655 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.587 2.557 -6.247 1.00 0.00 H new ATOM 718 N VAL A 50 -4.842 -0.046 -3.405 1.00 0.00 N ATOM 719 CA VAL A 50 -5.595 -1.206 -2.905 1.00 0.00 C ATOM 720 C VAL A 50 -7.117 -0.940 -2.823 1.00 0.00 C ATOM 721 O VAL A 50 -7.911 -1.880 -2.717 1.00 0.00 O ATOM 722 CB VAL A 50 -5.044 -1.693 -1.540 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.710 -2.982 -1.076 1.00 0.00 C ATOM 724 CG2 VAL A 50 -3.534 -1.895 -1.597 1.00 0.00 C ATOM 0 H VAL A 50 -4.234 0.389 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.452 -2.002 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.277 -0.910 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.291 -3.283 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.782 -2.819 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.534 -3.767 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.176 -2.237 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.295 -2.641 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.050 -0.952 -1.851 1.00 0.00 H new ATOM 734 N ALA A 51 -7.511 0.340 -2.902 1.00 0.00 N ATOM 735 CA ALA A 51 -8.909 0.753 -2.862 1.00 0.00 C ATOM 736 C ALA A 51 -9.037 2.226 -3.199 1.00 0.00 C ATOM 737 O ALA A 51 -8.172 3.034 -2.851 1.00 0.00 O ATOM 738 CB ALA A 51 -9.532 0.477 -1.504 1.00 0.00 C ATOM 0 H ALA A 51 -6.858 1.118 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.446 0.167 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.574 0.797 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.482 -0.591 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.988 1.026 -0.736 1.00 0.00 H new ATOM 744 N ASN A 52 -10.116 2.551 -3.911 1.00 0.00 N ATOM 745 CA ASN A 52 -10.429 3.909 -4.320 1.00 0.00 C ATOM 746 C ASN A 52 -10.643 4.838 -3.122 1.00 0.00 C ATOM 747 O ASN A 52 -10.983 4.379 -2.027 1.00 0.00 O ATOM 748 CB ASN A 52 -11.677 3.908 -5.220 1.00 0.00 C ATOM 749 CG ASN A 52 -12.810 2.997 -4.763 1.00 0.00 C ATOM 750 OD1 ASN A 52 -13.052 2.969 -3.472 1.00 0.00 O flip ATOM 751 ND2 ASN A 52 -13.461 2.340 -5.576 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.803 1.864 -4.221 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.574 4.291 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.057 4.927 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.379 3.613 -6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.238 2.393 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.224 1.743 -5.256 1.00 0.00 H new ATOM 758 N GLY A 53 -10.445 6.136 -3.350 1.00 0.00 N ATOM 759 CA GLY A 53 -10.620 7.113 -2.289 1.00 0.00 C ATOM 760 C GLY A 53 -10.099 8.494 -2.631 1.00 0.00 C ATOM 761 O GLY A 53 -10.449 9.058 -3.672 1.00 0.00 O ATOM 0 H GLY A 53 -10.167 6.527 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.680 7.186 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.112 6.756 -1.393 1.00 0.00 H new ATOM 765 N THR A 54 -9.248 9.029 -1.742 1.00 0.00 N ATOM 766 CA THR A 54 -8.684 10.349 -1.873 1.00 0.00 C ATOM 767 C THR A 54 -7.295 10.399 -1.236 1.00 0.00 C ATOM 768 O THR A 54 -7.095 9.904 -0.125 1.00 0.00 O ATOM 769 CB THR A 54 -9.594 11.381 -1.196 1.00 0.00 C ATOM 770 OG1 THR A 54 -10.949 11.211 -1.633 1.00 0.00 O ATOM 771 CG2 THR A 54 -9.156 12.820 -1.470 1.00 0.00 C ATOM 0 H THR A 54 -8.938 8.536 -0.905 1.00 0.00 H new ATOM 0 HA THR A 54 -8.599 10.584 -2.934 1.00 0.00 H new ATOM 0 HB THR A 54 -9.518 11.207 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.520 11.874 -1.193 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.835 13.509 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.144 12.970 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.177 13.009 -2.543 1.00 0.00 H new ATOM 779 N VAL A 55 -6.367 11.054 -1.936 1.00 0.00 N ATOM 780 CA VAL A 55 -4.992 11.207 -1.505 1.00 0.00 C ATOM 781 C VAL A 55 -4.903 12.388 -0.539 1.00 0.00 C ATOM 782 O VAL A 55 -5.150 13.533 -0.908 1.00 0.00 O ATOM 783 CB VAL A 55 -4.037 11.460 -2.713 1.00 0.00 C ATOM 784 CG1 VAL A 55 -2.568 11.320 -2.324 1.00 0.00 C ATOM 785 CG2 VAL A 55 -4.348 10.544 -3.895 1.00 0.00 C ATOM 0 H VAL A 55 -6.562 11.498 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.682 10.284 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.214 12.490 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.941 11.505 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.327 12.043 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.384 10.312 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.658 10.757 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.238 9.504 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.371 10.717 -4.230 1.00 0.00 H new ATOM 795 N LYS A 56 -4.587 12.069 0.689 1.00 0.00 N ATOM 796 CA LYS A 56 -4.442 13.057 1.757 1.00 0.00 C ATOM 797 C LYS A 56 -2.976 13.403 1.979 1.00 0.00 C ATOM 798 O LYS A 56 -2.649 14.410 2.614 1.00 0.00 O ATOM 799 CB LYS A 56 -5.055 12.563 3.070 1.00 0.00 C ATOM 800 CG LYS A 56 -6.399 11.858 2.900 1.00 0.00 C ATOM 801 CD LYS A 56 -6.379 10.452 3.484 1.00 0.00 C ATOM 802 CE LYS A 56 -6.709 10.440 4.976 1.00 0.00 C ATOM 803 NZ LYS A 56 -8.172 10.561 5.231 1.00 0.00 N ATOM 0 H LYS A 56 -4.419 11.110 0.992 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.979 13.951 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.356 11.879 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.184 13.412 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.180 12.442 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.652 11.808 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.097 9.829 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.395 10.010 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.340 9.516 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.187 11.261 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.329 11.130 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.629 11.023 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.581 9.614 5.365 1.00 0.00 H new ATOM 817 N PHE A 57 -2.104 12.534 1.461 1.00 0.00 N ATOM 818 CA PHE A 57 -0.671 12.703 1.540 1.00 0.00 C ATOM 819 C PHE A 57 -0.021 12.087 0.313 1.00 0.00 C ATOM 820 O PHE A 57 -0.415 11.014 -0.152 1.00 0.00 O ATOM 821 CB PHE A 57 -0.075 12.077 2.811 1.00 0.00 C ATOM 822 CG PHE A 57 1.235 12.694 3.220 1.00 0.00 C ATOM 823 CD1 PHE A 57 2.424 12.265 2.652 1.00 0.00 C ATOM 824 CD2 PHE A 57 1.273 13.716 4.154 1.00 0.00 C ATOM 825 CE1 PHE A 57 3.626 12.842 3.007 1.00 0.00 C ATOM 826 CE2 PHE A 57 2.475 14.295 4.517 1.00 0.00 C ATOM 827 CZ PHE A 57 3.653 13.858 3.941 1.00 0.00 C ATOM 0 H PHE A 57 -2.388 11.686 0.971 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.468 13.773 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.789 12.181 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.069 11.009 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.410 11.469 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.355 14.064 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.545 12.499 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.493 15.088 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.593 14.311 4.221 1.00 0.00 H new ATOM 837 N ALA A 58 0.978 12.793 -0.188 1.00 0.00 N ATOM 838 CA ALA A 58 1.742 12.399 -1.350 1.00 0.00 C ATOM 839 C ALA A 58 3.165 12.921 -1.205 1.00 0.00 C ATOM 840 O ALA A 58 3.479 14.062 -1.568 1.00 0.00 O ATOM 841 CB ALA A 58 1.096 12.905 -2.643 1.00 0.00 C ATOM 0 H ALA A 58 1.285 13.678 0.215 1.00 0.00 H new ATOM 0 HA ALA A 58 1.760 11.311 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.696 12.591 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.092 12.492 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.040 13.993 -2.620 1.00 0.00 H new ATOM 847 N GLY A 59 4.008 12.066 -0.640 1.00 0.00 N ATOM 848 CA GLY A 59 5.407 12.390 -0.427 1.00 0.00 C ATOM 849 C GLY A 59 6.287 11.896 -1.552 1.00 0.00 C ATOM 850 O GLY A 59 6.768 10.754 -1.515 1.00 0.00 O ATOM 0 H GLY A 59 3.741 11.135 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.517 13.470 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.741 11.950 0.513 1.00 0.00 H new ATOM 854 N ASN A 60 6.484 12.777 -2.548 1.00 0.00 N ATOM 855 CA ASN A 60 7.291 12.498 -3.739 1.00 0.00 C ATOM 856 C ASN A 60 8.780 12.490 -3.445 1.00 0.00 C ATOM 857 O ASN A 60 9.352 13.469 -2.961 1.00 0.00 O ATOM 858 CB ASN A 60 6.986 13.521 -4.843 1.00 0.00 C ATOM 859 CG ASN A 60 5.598 13.360 -5.415 1.00 0.00 C ATOM 860 OD1 ASN A 60 4.628 13.177 -4.536 1.00 0.00 O flip ATOM 861 ND2 ASN A 60 5.398 13.417 -6.628 1.00 0.00 N flip ATOM 0 H ASN A 60 6.080 13.714 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 60 7.019 11.498 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.095 14.528 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.719 13.417 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.180 13.560 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.451 13.321 -6.994 1.00 0.00 H new ATOM 868 N GLY A 61 9.370 11.356 -3.773 1.00 0.00 N ATOM 869 CA GLY A 61 10.798 11.115 -3.580 1.00 0.00 C ATOM 870 C GLY A 61 11.665 11.726 -4.668 1.00 0.00 C ATOM 871 O GLY A 61 12.892 11.613 -4.626 1.00 0.00 O ATOM 0 H GLY A 61 8.873 10.566 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.100 11.520 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.976 10.040 -3.544 1.00 0.00 H new ATOM 875 N ALA A 62 11.018 12.373 -5.640 1.00 0.00 N ATOM 876 CA ALA A 62 11.705 12.999 -6.760 1.00 0.00 C ATOM 877 C ALA A 62 12.360 14.322 -6.383 1.00 0.00 C ATOM 878 O ALA A 62 13.417 14.672 -6.917 1.00 0.00 O ATOM 879 CB ALA A 62 10.733 13.209 -7.907 1.00 0.00 C ATOM 0 H ALA A 62 10.003 12.475 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 62 12.504 12.324 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.252 13.678 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.331 12.247 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.917 13.853 -7.579 1.00 0.00 H new ATOM 885 N ASN A 63 11.730 15.039 -5.455 1.00 0.00 N ATOM 886 CA ASN A 63 12.214 16.335 -5.021 1.00 0.00 C ATOM 887 C ASN A 63 12.100 16.518 -3.506 1.00 0.00 C ATOM 888 O ASN A 63 12.063 17.655 -3.013 1.00 0.00 O ATOM 889 CB ASN A 63 11.454 17.439 -5.737 1.00 0.00 C ATOM 890 CG ASN A 63 12.362 18.402 -6.457 1.00 0.00 C ATOM 891 OD1 ASN A 63 12.969 19.285 -5.853 1.00 0.00 O ATOM 892 ND2 ASN A 63 12.438 18.241 -7.766 1.00 0.00 N ATOM 0 H ASN A 63 10.875 14.735 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 63 13.272 16.391 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.764 16.993 -6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.851 17.987 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.021 18.865 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.914 17.492 -8.219 1.00 0.00 H new ATOM 899 N HIS A 64 12.044 15.407 -2.761 1.00 0.00 N ATOM 900 CA HIS A 64 11.907 15.465 -1.333 1.00 0.00 C ATOM 901 C HIS A 64 13.234 15.792 -0.605 1.00 0.00 C ATOM 902 O HIS A 64 14.172 14.989 -0.639 1.00 0.00 O ATOM 903 CB HIS A 64 11.287 14.164 -0.795 1.00 0.00 C ATOM 904 CG HIS A 64 12.077 12.895 -1.018 1.00 0.00 C ATOM 905 ND1 HIS A 64 13.174 12.803 -1.854 1.00 0.00 N ATOM 906 CD2 HIS A 64 11.923 11.664 -0.473 1.00 0.00 C ATOM 907 CE1 HIS A 64 13.658 11.574 -1.809 1.00 0.00 C ATOM 908 NE2 HIS A 64 12.917 10.865 -0.979 1.00 0.00 N ATOM 0 H HIS A 64 12.093 14.462 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 64 11.232 16.294 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.126 14.281 0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.306 14.039 -1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.159 11.367 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.514 11.212 -2.358 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.060 9.881 -0.750 1.00 0.00 H new ATOM 917 N PRO A 65 13.339 16.987 0.059 1.00 0.00 N ATOM 918 CA PRO A 65 14.521 17.390 0.823 1.00 0.00 C ATOM 919 C PRO A 65 14.717 16.528 2.041 1.00 0.00 C ATOM 920 O PRO A 65 13.840 15.775 2.417 1.00 0.00 O ATOM 921 CB PRO A 65 14.202 18.829 1.270 1.00 0.00 C ATOM 922 CG PRO A 65 13.162 19.277 0.337 1.00 0.00 C ATOM 923 CD PRO A 65 12.333 18.062 0.120 1.00 0.00 C ATOM 0 HA PRO A 65 15.431 17.301 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.850 18.856 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.085 19.467 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.573 20.093 0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.592 19.640 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.623 17.906 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.754 18.127 -0.801 1.00 0.00 H new ATOM 931 N TRP A 66 15.899 16.569 2.588 1.00 0.00 N ATOM 932 CA TRP A 66 16.179 15.848 3.809 1.00 0.00 C ATOM 933 C TRP A 66 16.008 16.810 4.977 1.00 0.00 C ATOM 934 O TRP A 66 16.308 16.483 6.132 1.00 0.00 O ATOM 935 CB TRP A 66 17.584 15.269 3.833 1.00 0.00 C ATOM 936 CG TRP A 66 17.850 14.231 2.776 1.00 0.00 C ATOM 937 CD1 TRP A 66 18.023 14.452 1.439 1.00 0.00 C ATOM 938 CD2 TRP A 66 17.972 12.812 2.969 1.00 0.00 C ATOM 939 NE1 TRP A 66 18.239 13.260 0.788 1.00 0.00 N ATOM 940 CE2 TRP A 66 18.214 12.241 1.704 1.00 0.00 C ATOM 941 CE3 TRP A 66 17.898 11.969 4.085 1.00 0.00 C ATOM 942 CZ2 TRP A 66 18.383 10.870 1.526 1.00 0.00 C ATOM 943 CZ3 TRP A 66 18.066 10.608 3.904 1.00 0.00 C ATOM 944 CH2 TRP A 66 18.307 10.071 2.634 1.00 0.00 C ATOM 0 H TRP A 66 16.689 17.093 2.211 1.00 0.00 H new ATOM 0 HA TRP A 66 15.487 15.009 3.878 1.00 0.00 H new ATOM 0 HB2 TRP A 66 18.300 16.082 3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 66 17.764 14.826 4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 66 17.994 15.421 0.963 1.00 0.00 H new ATOM 0 HE1 TRP A 66 18.393 13.152 -0.215 1.00 0.00 H new ATOM 0 HE3 TRP A 66 17.713 12.374 5.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 18.568 10.452 0.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 18.010 9.948 4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 66 18.436 9.004 2.527 1.00 0.00 H new ATOM 955 N MET A 67 15.487 18.009 4.650 1.00 0.00 N ATOM 956 CA MET A 67 15.267 19.054 5.632 1.00 0.00 C ATOM 957 C MET A 67 14.064 18.727 6.485 1.00 0.00 C ATOM 958 O MET A 67 14.107 18.858 7.713 1.00 0.00 O ATOM 959 CB MET A 67 15.092 20.419 4.960 1.00 0.00 C ATOM 960 CG MET A 67 16.382 21.016 4.423 1.00 0.00 C ATOM 961 SD MET A 67 16.131 22.639 3.678 1.00 0.00 S ATOM 962 CE MET A 67 17.805 23.057 3.200 1.00 0.00 C ATOM 0 H MET A 67 15.213 18.265 3.701 1.00 0.00 H new ATOM 0 HA MET A 67 16.148 19.107 6.272 1.00 0.00 H new ATOM 0 HB2 MET A 67 14.381 20.320 4.140 1.00 0.00 H new ATOM 0 HB3 MET A 67 14.655 21.112 5.678 1.00 0.00 H new ATOM 0 HG2 MET A 67 17.106 21.100 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 67 16.810 20.341 3.682 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.813 24.037 2.724 1.00 0.00 H new ATOM 0 HE2 MET A 67 18.442 23.078 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 67 18.181 22.310 2.500 1.00 0.00 H new ATOM 972 N LEU A 68 12.999 18.290 5.826 1.00 0.00 N ATOM 973 CA LEU A 68 11.806 17.898 6.530 1.00 0.00 C ATOM 974 C LEU A 68 11.468 16.442 6.207 1.00 0.00 C ATOM 975 O LEU A 68 10.371 15.972 6.529 1.00 0.00 O ATOM 976 CB LEU A 68 10.637 18.876 6.246 1.00 0.00 C ATOM 977 CG LEU A 68 10.090 18.936 4.817 1.00 0.00 C ATOM 978 CD1 LEU A 68 8.888 18.003 4.670 1.00 0.00 C ATOM 979 CD2 LEU A 68 9.703 20.362 4.457 1.00 0.00 C ATOM 0 H LEU A 68 12.946 18.202 4.811 1.00 0.00 H new ATOM 0 HA LEU A 68 11.984 17.958 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.813 18.615 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.964 19.878 6.522 1.00 0.00 H new ATOM 0 HG LEU A 68 10.871 18.607 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.509 18.056 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.192 16.980 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.104 18.307 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.316 20.388 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.936 20.716 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.580 21.006 4.529 1.00 0.00 H new ATOM 991 N TRP A 69 12.422 15.718 5.560 1.00 0.00 N ATOM 992 CA TRP A 69 12.177 14.322 5.199 1.00 0.00 C ATOM 993 C TRP A 69 13.329 13.425 5.633 1.00 0.00 C ATOM 994 O TRP A 69 14.489 13.849 5.648 1.00 0.00 O ATOM 995 CB TRP A 69 11.912 14.153 3.683 1.00 0.00 C ATOM 996 CG TRP A 69 11.127 15.278 3.035 1.00 0.00 C ATOM 997 CD1 TRP A 69 11.473 16.600 3.005 1.00 0.00 C ATOM 998 CD2 TRP A 69 9.896 15.181 2.305 1.00 0.00 C ATOM 999 NE1 TRP A 69 10.527 17.327 2.351 1.00 0.00 N ATOM 1000 CE2 TRP A 69 9.553 16.486 1.896 1.00 0.00 C ATOM 1001 CE3 TRP A 69 9.043 14.131 1.964 1.00 0.00 C ATOM 1002 CZ2 TRP A 69 8.404 16.765 1.169 1.00 0.00 C ATOM 1003 CZ3 TRP A 69 7.904 14.413 1.240 1.00 0.00 C ATOM 1004 CH2 TRP A 69 7.594 15.720 0.849 1.00 0.00 C ATOM 0 H TRP A 69 13.338 16.078 5.291 1.00 0.00 H new ATOM 0 HA TRP A 69 11.278 14.016 5.734 1.00 0.00 H new ATOM 0 HB2 TRP A 69 12.870 14.058 3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 69 11.373 13.218 3.527 1.00 0.00 H new ATOM 0 HD1 TRP A 69 12.372 17.010 3.440 1.00 0.00 H new ATOM 0 HE1 TRP A 69 10.543 18.339 2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 69 9.270 13.118 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.162 17.774 0.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.237 13.608 0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.693 15.903 0.282 1.00 0.00 H new ATOM 1015 N MET A 70 12.978 12.207 6.071 1.00 0.00 N ATOM 1016 CA MET A 70 13.960 11.207 6.505 1.00 0.00 C ATOM 1017 C MET A 70 13.483 9.785 6.184 1.00 0.00 C ATOM 1018 O MET A 70 14.297 8.860 6.109 1.00 0.00 O ATOM 1019 CB MET A 70 14.255 11.342 8.006 1.00 0.00 C ATOM 1020 CG MET A 70 15.708 11.064 8.362 1.00 0.00 C ATOM 1021 SD MET A 70 16.068 11.320 10.109 1.00 0.00 S ATOM 1022 CE MET A 70 17.831 10.999 10.136 1.00 0.00 C ATOM 0 H MET A 70 12.010 11.890 6.134 1.00 0.00 H new ATOM 0 HA MET A 70 14.882 11.391 5.953 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.995 12.349 8.331 1.00 0.00 H new ATOM 0 HB3 MET A 70 13.615 10.654 8.558 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.951 10.036 8.094 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.352 11.710 7.766 1.00 0.00 H new ATOM 0 HE1 MET A 70 18.207 11.117 11.152 1.00 0.00 H new ATOM 0 HE2 MET A 70 18.021 9.981 9.795 1.00 0.00 H new ATOM 0 HE3 MET A 70 18.339 11.703 9.477 1.00 0.00 H new ATOM 1032 N ALA A 71 12.165 9.629 5.971 1.00 0.00 N ATOM 1033 CA ALA A 71 11.566 8.319 5.673 1.00 0.00 C ATOM 1034 C ALA A 71 11.508 8.037 4.175 1.00 0.00 C ATOM 1035 O ALA A 71 11.565 6.879 3.753 1.00 0.00 O ATOM 1036 CB ALA A 71 10.175 8.227 6.281 1.00 0.00 C ATOM 0 H ALA A 71 11.494 10.397 6.000 1.00 0.00 H new ATOM 0 HA ALA A 71 12.208 7.560 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.742 7.253 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.241 8.351 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.543 9.011 5.864 1.00 0.00 H new ATOM 1042 N GLY A 72 11.402 9.103 3.388 1.00 0.00 N ATOM 1043 CA GLY A 72 11.351 8.972 1.938 1.00 0.00 C ATOM 1044 C GLY A 72 9.974 9.217 1.349 1.00 0.00 C ATOM 1045 O GLY A 72 9.350 10.247 1.619 1.00 0.00 O ATOM 0 H GLY A 72 11.350 10.063 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.056 9.675 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.682 7.971 1.661 1.00 0.00 H new ATOM 1049 N ASN A 73 9.506 8.251 0.541 1.00 0.00 N ATOM 1050 CA ASN A 73 8.212 8.333 -0.123 1.00 0.00 C ATOM 1051 C ASN A 73 7.095 7.765 0.738 1.00 0.00 C ATOM 1052 O ASN A 73 7.256 6.714 1.368 1.00 0.00 O ATOM 1053 CB ASN A 73 8.230 7.570 -1.445 1.00 0.00 C ATOM 1054 CG ASN A 73 9.051 8.239 -2.525 1.00 0.00 C ATOM 1055 OD1 ASN A 73 8.508 8.913 -3.398 1.00 0.00 O ATOM 1056 ND2 ASN A 73 10.362 8.042 -2.481 1.00 0.00 N ATOM 0 H ASN A 73 10.021 7.395 0.335 1.00 0.00 H new ATOM 0 HA ASN A 73 8.024 9.392 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.623 6.569 -1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.206 7.453 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.964 8.458 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.768 7.475 -1.737 1.00 0.00 H new ATOM 1063 N ALA A 74 5.947 8.449 0.726 1.00 0.00 N ATOM 1064 CA ALA A 74 4.783 8.025 1.496 1.00 0.00 C ATOM 1065 C ALA A 74 3.494 8.520 0.859 1.00 0.00 C ATOM 1066 O ALA A 74 3.455 9.613 0.296 1.00 0.00 O ATOM 1067 CB ALA A 74 4.877 8.494 2.946 1.00 0.00 C ATOM 0 H ALA A 74 5.803 9.303 0.187 1.00 0.00 H new ATOM 0 HA ALA A 74 4.769 6.935 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.995 8.162 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.770 8.073 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.933 9.582 2.974 1.00 0.00 H new ATOM 1073 N VAL A 75 2.436 7.708 0.968 1.00 0.00 N ATOM 1074 CA VAL A 75 1.134 8.044 0.395 1.00 0.00 C ATOM 1075 C VAL A 75 0.024 7.674 1.366 1.00 0.00 C ATOM 1076 O VAL A 75 -0.124 6.509 1.739 1.00 0.00 O ATOM 1077 CB VAL A 75 0.841 7.328 -0.963 1.00 0.00 C ATOM 1078 CG1 VAL A 75 -0.116 8.155 -1.815 1.00 0.00 C ATOM 1079 CG2 VAL A 75 2.109 7.032 -1.751 1.00 0.00 C ATOM 0 H VAL A 75 2.460 6.810 1.451 1.00 0.00 H new ATOM 0 HA VAL A 75 1.165 9.117 0.209 1.00 0.00 H new ATOM 0 HB VAL A 75 0.375 6.374 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.306 7.638 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.056 8.290 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.328 9.129 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.849 6.534 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.628 7.965 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.759 6.384 -1.164 1.00 0.00 H new ATOM 1089 N LEU A 76 -0.758 8.670 1.745 1.00 0.00 N ATOM 1090 CA LEU A 76 -1.879 8.471 2.633 1.00 0.00 C ATOM 1091 C LEU A 76 -3.124 8.829 1.888 1.00 0.00 C ATOM 1092 O LEU A 76 -3.254 9.910 1.314 1.00 0.00 O ATOM 1093 CB LEU A 76 -1.743 9.288 3.908 1.00 0.00 C ATOM 1094 CG LEU A 76 -2.118 8.577 5.210 1.00 0.00 C ATOM 1095 CD1 LEU A 76 -1.098 8.885 6.296 1.00 0.00 C ATOM 1096 CD2 LEU A 76 -3.504 9.000 5.660 1.00 0.00 C ATOM 0 H LEU A 76 -0.630 9.636 1.444 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.916 7.428 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.710 9.628 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.365 10.178 3.812 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.120 7.502 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.379 8.372 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.113 8.544 5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.070 9.960 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.758 8.487 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.520 10.077 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.231 8.740 4.891 1.00 0.00 H new ATOM 1108 N ILE A 77 -4.014 7.880 1.917 1.00 0.00 N ATOM 1109 CA ILE A 77 -5.267 7.927 1.214 1.00 0.00 C ATOM 1110 C ILE A 77 -6.390 7.349 2.075 1.00 0.00 C ATOM 1111 O ILE A 77 -6.175 6.484 2.927 1.00 0.00 O ATOM 1112 CB ILE A 77 -5.147 7.132 -0.128 1.00 0.00 C ATOM 1113 CG1 ILE A 77 -4.258 7.877 -1.130 1.00 0.00 C ATOM 1114 CG2 ILE A 77 -6.508 6.820 -0.765 1.00 0.00 C ATOM 1115 CD1 ILE A 77 -3.393 6.969 -1.986 1.00 0.00 C ATOM 0 H ILE A 77 -3.884 7.020 2.450 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.509 8.967 0.994 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.685 6.178 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.890 8.479 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.614 8.567 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.358 6.267 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.103 6.219 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.032 7.752 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.795 7.573 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.733 6.385 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.029 6.296 -2.561 1.00 0.00 H new ATOM 1127 N GLN A 78 -7.575 7.869 1.827 1.00 0.00 N ATOM 1128 CA GLN A 78 -8.794 7.456 2.476 1.00 0.00 C ATOM 1129 C GLN A 78 -9.508 6.461 1.567 1.00 0.00 C ATOM 1130 O GLN A 78 -9.908 6.792 0.452 1.00 0.00 O ATOM 1131 CB GLN A 78 -9.688 8.664 2.772 1.00 0.00 C ATOM 1132 CG GLN A 78 -11.028 8.300 3.393 1.00 0.00 C ATOM 1133 CD GLN A 78 -12.154 9.125 2.843 1.00 0.00 C ATOM 1134 OE1 GLN A 78 -12.514 10.173 3.377 1.00 0.00 O ATOM 1135 NE2 GLN A 78 -12.704 8.637 1.753 1.00 0.00 N ATOM 0 H GLN A 78 -7.716 8.615 1.145 1.00 0.00 H new ATOM 0 HA GLN A 78 -8.563 6.983 3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.159 9.340 3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.864 9.209 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.233 7.244 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.974 8.437 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.361 7.762 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.473 9.134 1.304 1.00 0.00 H new ATOM 1144 N HIS A 79 -9.641 5.248 2.069 1.00 0.00 N ATOM 1145 CA HIS A 79 -10.281 4.150 1.348 1.00 0.00 C ATOM 1146 C HIS A 79 -11.778 4.313 1.173 1.00 0.00 C ATOM 1147 O HIS A 79 -12.370 5.323 1.563 1.00 0.00 O ATOM 1148 CB HIS A 79 -9.983 2.812 2.022 1.00 0.00 C ATOM 1149 CG HIS A 79 -8.680 2.206 1.605 1.00 0.00 C ATOM 1150 ND1 HIS A 79 -8.095 2.463 0.386 1.00 0.00 N ATOM 1151 CD2 HIS A 79 -7.850 1.352 2.248 1.00 0.00 C ATOM 1152 CE1 HIS A 79 -6.957 1.797 0.294 1.00 0.00 C ATOM 1153 NE2 HIS A 79 -6.786 1.115 1.411 1.00 0.00 N ATOM 0 H HIS A 79 -9.307 4.989 2.997 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.848 4.171 0.348 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.979 2.953 3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.788 2.113 1.794 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.480 3.073 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.996 0.935 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.283 1.809 -0.550 1.00 0.00 H new ATOM 1162 N ALA A 80 -12.364 3.275 0.571 1.00 0.00 N ATOM 1163 CA ALA A 80 -13.782 3.222 0.263 1.00 0.00 C ATOM 1164 C ALA A 80 -14.688 3.209 1.500 1.00 0.00 C ATOM 1165 O ALA A 80 -15.883 3.498 1.397 1.00 0.00 O ATOM 1166 CB ALA A 80 -14.083 2.023 -0.622 1.00 0.00 C ATOM 0 H ALA A 80 -11.854 2.440 0.283 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.010 4.146 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.149 1.995 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.519 2.106 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.796 1.108 -0.104 1.00 0.00 H new ATOM 1172 N ASP A 81 -14.107 2.885 2.656 1.00 0.00 N ATOM 1173 CA ASP A 81 -14.842 2.820 3.909 1.00 0.00 C ATOM 1174 C ASP A 81 -14.655 4.095 4.717 1.00 0.00 C ATOM 1175 O ASP A 81 -15.379 4.343 5.687 1.00 0.00 O ATOM 1176 CB ASP A 81 -14.407 1.613 4.720 1.00 0.00 C ATOM 1177 CG ASP A 81 -15.502 0.571 4.831 1.00 0.00 C ATOM 1178 OD1 ASP A 81 -15.485 -0.395 4.038 1.00 0.00 O ATOM 1179 OD2 ASP A 81 -16.379 0.723 5.706 1.00 0.00 O ATOM 0 H ASP A 81 -13.116 2.662 2.745 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.901 2.718 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.527 1.165 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.113 1.936 5.719 1.00 0.00 H new ATOM 1184 N GLY A 82 -13.678 4.895 4.292 1.00 0.00 N ATOM 1185 CA GLY A 82 -13.381 6.151 4.942 1.00 0.00 C ATOM 1186 C GLY A 82 -12.134 6.062 5.781 1.00 0.00 C ATOM 1187 O GLY A 82 -11.654 7.074 6.296 1.00 0.00 O ATOM 0 H GLY A 82 -13.080 4.685 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.259 6.930 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.222 6.444 5.570 1.00 0.00 H new ATOM 1191 N MET A 83 -11.600 4.838 5.903 1.00 0.00 N ATOM 1192 CA MET A 83 -10.405 4.569 6.653 1.00 0.00 C ATOM 1193 C MET A 83 -9.187 5.145 5.936 1.00 0.00 C ATOM 1194 O MET A 83 -9.295 5.522 4.764 1.00 0.00 O ATOM 1195 CB MET A 83 -10.268 3.057 6.878 1.00 0.00 C ATOM 1196 CG MET A 83 -10.378 2.182 5.632 1.00 0.00 C ATOM 1197 SD MET A 83 -10.076 0.430 5.964 1.00 0.00 S ATOM 1198 CE MET A 83 -11.626 -0.076 6.707 1.00 0.00 C ATOM 0 H MET A 83 -12.006 4.008 5.470 1.00 0.00 H new ATOM 0 HA MET A 83 -10.469 5.054 7.627 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.303 2.866 7.348 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.035 2.744 7.586 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.373 2.297 5.201 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.665 2.532 4.886 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.425 -0.685 7.588 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.195 0.807 6.998 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.202 -0.658 5.987 1.00 0.00 H new ATOM 1208 N HIS A 84 -8.033 5.198 6.600 1.00 0.00 N ATOM 1209 CA HIS A 84 -6.876 5.751 5.950 1.00 0.00 C ATOM 1210 C HIS A 84 -5.772 4.717 5.821 1.00 0.00 C ATOM 1211 O HIS A 84 -5.567 3.900 6.722 1.00 0.00 O ATOM 1212 CB HIS A 84 -6.397 7.068 6.590 1.00 0.00 C ATOM 1213 CG HIS A 84 -5.836 7.004 7.980 1.00 0.00 C ATOM 1214 ND1 HIS A 84 -4.480 6.942 8.235 1.00 0.00 N ATOM 1215 CD2 HIS A 84 -6.440 7.097 9.185 1.00 0.00 C ATOM 1216 CE1 HIS A 84 -4.277 7.006 9.538 1.00 0.00 C ATOM 1217 NE2 HIS A 84 -5.449 7.102 10.135 1.00 0.00 N ATOM 0 H HIS A 84 -7.888 4.873 7.556 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.178 6.024 4.939 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -5.635 7.499 5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.238 7.762 6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.503 7.156 9.367 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.316 6.984 10.030 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.596 7.169 11.142 1.00 0.00 H new ATOM 1226 N THR A 85 -5.072 4.760 4.689 1.00 0.00 N ATOM 1227 CA THR A 85 -4.036 3.821 4.389 1.00 0.00 C ATOM 1228 C THR A 85 -2.804 4.515 3.866 1.00 0.00 C ATOM 1229 O THR A 85 -2.875 5.339 2.949 1.00 0.00 O ATOM 1230 CB THR A 85 -4.512 2.818 3.338 1.00 0.00 C ATOM 1231 OG1 THR A 85 -5.618 3.354 2.598 1.00 0.00 O ATOM 1232 CG2 THR A 85 -4.907 1.507 3.988 1.00 0.00 C ATOM 0 H THR A 85 -5.222 5.458 3.961 1.00 0.00 H new ATOM 0 HA THR A 85 -3.790 3.303 5.316 1.00 0.00 H new ATOM 0 HB THR A 85 -3.687 2.629 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.332 3.554 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.243 0.808 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.048 1.087 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.715 1.682 4.699 1.00 0.00 H new ATOM 1240 N GLY A 86 -1.685 4.192 4.484 1.00 0.00 N ATOM 1241 CA GLY A 86 -0.418 4.741 4.065 1.00 0.00 C ATOM 1242 C GLY A 86 0.368 3.749 3.232 1.00 0.00 C ATOM 1243 O GLY A 86 0.175 2.533 3.356 1.00 0.00 O ATOM 0 H GLY A 86 -1.631 3.553 5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.587 5.650 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.165 5.024 4.941 1.00 0.00 H new ATOM 1247 N TYR A 87 1.251 4.281 2.387 1.00 0.00 N ATOM 1248 CA TYR A 87 2.106 3.506 1.525 1.00 0.00 C ATOM 1249 C TYR A 87 3.492 4.117 1.684 1.00 0.00 C ATOM 1250 O TYR A 87 3.790 5.181 1.121 1.00 0.00 O ATOM 1251 CB TYR A 87 1.627 3.563 0.049 1.00 0.00 C ATOM 1252 CG TYR A 87 0.183 3.115 -0.204 1.00 0.00 C ATOM 1253 CD1 TYR A 87 -0.088 1.953 -0.928 1.00 0.00 C ATOM 1254 CD2 TYR A 87 -0.906 3.857 0.261 1.00 0.00 C ATOM 1255 CE1 TYR A 87 -1.394 1.549 -1.175 1.00 0.00 C ATOM 1256 CE2 TYR A 87 -2.206 3.452 0.020 1.00 0.00 C ATOM 1257 CZ TYR A 87 -2.444 2.301 -0.698 1.00 0.00 C ATOM 1258 OH TYR A 87 -3.738 1.900 -0.942 1.00 0.00 O ATOM 0 H TYR A 87 1.385 5.287 2.290 1.00 0.00 H new ATOM 0 HA TYR A 87 2.097 2.450 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.737 4.586 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.290 2.941 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.732 1.358 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.729 4.764 0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.585 0.648 -1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.033 4.037 0.394 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.361 2.539 -0.537 1.00 0.00 H new ATOM 1268 N ALA A 88 4.316 3.481 2.510 1.00 0.00 N ATOM 1269 CA ALA A 88 5.648 4.002 2.784 1.00 0.00 C ATOM 1270 C ALA A 88 6.749 3.127 2.200 1.00 0.00 C ATOM 1271 O ALA A 88 6.504 1.997 1.765 1.00 0.00 O ATOM 1272 CB ALA A 88 5.832 4.201 4.286 1.00 0.00 C ATOM 0 H ALA A 88 4.088 2.614 2.996 1.00 0.00 H new ATOM 0 HA ALA A 88 5.734 4.968 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.831 4.591 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.088 4.908 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.709 3.246 4.797 1.00 0.00 H new ATOM 1278 N HIS A 89 7.979 3.677 2.219 1.00 0.00 N ATOM 1279 CA HIS A 89 9.197 3.016 1.695 1.00 0.00 C ATOM 1280 C HIS A 89 9.138 2.822 0.166 1.00 0.00 C ATOM 1281 O HIS A 89 9.595 1.807 -0.366 1.00 0.00 O ATOM 1282 CB HIS A 89 9.465 1.675 2.416 1.00 0.00 C ATOM 1283 CG HIS A 89 9.709 1.817 3.889 1.00 0.00 C ATOM 1284 ND1 HIS A 89 8.771 2.334 4.759 1.00 0.00 N ATOM 1285 CD2 HIS A 89 10.791 1.512 4.644 1.00 0.00 C ATOM 1286 CE1 HIS A 89 9.265 2.341 5.984 1.00 0.00 C ATOM 1287 NE2 HIS A 89 10.488 1.847 5.941 1.00 0.00 N ATOM 0 H HIS A 89 8.160 4.604 2.603 1.00 0.00 H new ATOM 0 HA HIS A 89 10.034 3.682 1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.613 1.013 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 89 10.330 1.194 1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 89 11.719 1.085 4.292 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.755 2.691 6.869 1.00 0.00 H new ATOM 0 HE2 HIS A 89 11.109 1.732 6.742 1.00 0.00 H new ATOM 1296 N LEU A 90 8.563 3.814 -0.523 1.00 0.00 N ATOM 1297 CA LEU A 90 8.461 3.825 -1.977 1.00 0.00 C ATOM 1298 C LEU A 90 9.582 4.686 -2.568 1.00 0.00 C ATOM 1299 O LEU A 90 10.287 5.378 -1.826 1.00 0.00 O ATOM 1300 CB LEU A 90 7.075 4.334 -2.419 1.00 0.00 C ATOM 1301 CG LEU A 90 5.868 3.789 -1.633 1.00 0.00 C ATOM 1302 CD1 LEU A 90 4.631 4.615 -1.933 1.00 0.00 C ATOM 1303 CD2 LEU A 90 5.619 2.324 -1.956 1.00 0.00 C ATOM 0 H LEU A 90 8.154 4.636 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 90 8.573 2.807 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.070 5.421 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.939 4.086 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 90 6.094 3.864 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.785 4.220 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.806 5.651 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.412 4.568 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.761 1.967 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.418 2.215 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.499 1.738 -1.692 1.00 0.00 H new ATOM 1315 N SER A 91 9.759 4.627 -3.891 1.00 0.00 N ATOM 1316 CA SER A 91 10.792 5.388 -4.563 1.00 0.00 C ATOM 1317 C SER A 91 10.207 6.542 -5.364 1.00 0.00 C ATOM 1318 O SER A 91 10.942 7.454 -5.761 1.00 0.00 O ATOM 1319 CB SER A 91 11.622 4.481 -5.479 1.00 0.00 C ATOM 1320 OG SER A 91 12.743 5.169 -6.013 1.00 0.00 O ATOM 0 H SER A 91 9.191 4.053 -4.513 1.00 0.00 H new ATOM 0 HA SER A 91 11.441 5.806 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.961 3.609 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.997 4.114 -6.293 1.00 0.00 H new ATOM 0 HG SER A 91 12.546 6.128 -6.061 1.00 0.00 H new ATOM 1326 N LYS A 92 8.883 6.515 -5.590 1.00 0.00 N ATOM 1327 CA LYS A 92 8.217 7.543 -6.367 1.00 0.00 C ATOM 1328 C LYS A 92 6.708 7.464 -6.233 1.00 0.00 C ATOM 1329 O LYS A 92 6.143 6.421 -5.895 1.00 0.00 O ATOM 1330 CB LYS A 92 8.592 7.444 -7.846 1.00 0.00 C ATOM 1331 CG LYS A 92 9.112 8.741 -8.417 1.00 0.00 C ATOM 1332 CD LYS A 92 9.734 8.517 -9.787 1.00 0.00 C ATOM 1333 CE LYS A 92 11.256 8.521 -9.723 1.00 0.00 C ATOM 1334 NZ LYS A 92 11.874 8.156 -11.029 1.00 0.00 N ATOM 0 H LYS A 92 8.262 5.786 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 92 8.554 8.500 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.350 6.670 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.718 7.129 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.298 9.461 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.853 9.170 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.389 7.565 -10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.397 9.295 -10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.603 9.510 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.588 7.820 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.910 8.171 -10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.565 7.202 -11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.579 8.839 -11.756 1.00 0.00 H new ATOM 1348 N ILE A 93 6.087 8.596 -6.516 1.00 0.00 N ATOM 1349 CA ILE A 93 4.650 8.752 -6.472 1.00 0.00 C ATOM 1350 C ILE A 93 4.114 9.237 -7.819 1.00 0.00 C ATOM 1351 O ILE A 93 4.798 9.947 -8.564 1.00 0.00 O ATOM 1352 CB ILE A 93 4.241 9.730 -5.327 1.00 0.00 C ATOM 1353 CG1 ILE A 93 3.840 8.978 -4.060 1.00 0.00 C ATOM 1354 CG2 ILE A 93 3.142 10.698 -5.719 1.00 0.00 C ATOM 1355 CD1 ILE A 93 5.009 8.664 -3.143 1.00 0.00 C ATOM 0 H ILE A 93 6.580 9.447 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 93 4.206 7.778 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 93 5.134 10.322 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.108 9.571 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.349 8.046 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.910 11.346 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.475 11.305 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.250 10.140 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.649 8.129 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.732 8.044 -3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.487 9.593 -2.832 1.00 0.00 H new ATOM 1367 N SER A 94 2.890 8.824 -8.101 1.00 0.00 N ATOM 1368 CA SER A 94 2.179 9.203 -9.299 1.00 0.00 C ATOM 1369 C SER A 94 0.984 10.072 -8.937 1.00 0.00 C ATOM 1370 O SER A 94 0.302 10.618 -9.813 1.00 0.00 O ATOM 1371 CB SER A 94 1.669 7.961 -10.003 1.00 0.00 C ATOM 1372 OG SER A 94 1.442 8.201 -11.381 1.00 0.00 O ATOM 0 H SER A 94 2.358 8.205 -7.490 1.00 0.00 H new ATOM 0 HA SER A 94 2.858 9.754 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.392 7.153 -9.888 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.743 7.630 -9.533 1.00 0.00 H new ATOM 0 HG SER A 94 0.957 9.045 -11.490 1.00 0.00 H new ATOM 1378 N VAL A 95 0.746 10.190 -7.629 1.00 0.00 N ATOM 1379 CA VAL A 95 -0.355 10.915 -7.105 1.00 0.00 C ATOM 1380 C VAL A 95 0.052 12.295 -6.591 1.00 0.00 C ATOM 1381 O VAL A 95 1.203 12.719 -6.731 1.00 0.00 O ATOM 1382 CB VAL A 95 -1.098 10.123 -5.998 1.00 0.00 C ATOM 1383 CG1 VAL A 95 -2.259 9.342 -6.594 1.00 0.00 C ATOM 1384 CG2 VAL A 95 -0.169 9.191 -5.220 1.00 0.00 C ATOM 0 H VAL A 95 1.338 9.768 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.044 11.060 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.484 10.853 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.770 8.791 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.958 10.033 -7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.882 8.642 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.740 8.661 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.279 8.470 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.617 9.776 -4.743 1.00 0.00 H new ATOM 1394 N SER A 96 -0.922 12.978 -5.994 1.00 0.00 N ATOM 1395 CA SER A 96 -0.762 14.312 -5.463 1.00 0.00 C ATOM 1396 C SER A 96 -1.741 14.518 -4.328 1.00 0.00 C ATOM 1397 O SER A 96 -2.866 14.014 -4.362 1.00 0.00 O ATOM 1398 CB SER A 96 -0.985 15.378 -6.546 1.00 0.00 C ATOM 1399 OG SER A 96 -0.058 15.234 -7.607 1.00 0.00 O ATOM 0 H SER A 96 -1.862 12.603 -5.868 1.00 0.00 H new ATOM 0 HA SER A 96 0.260 14.417 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.001 15.299 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.888 16.371 -6.107 1.00 0.00 H new ATOM 0 HG SER A 96 -0.224 15.924 -8.283 1.00 0.00 H new ATOM 1405 N THR A 97 -1.302 15.277 -3.336 1.00 0.00 N ATOM 1406 CA THR A 97 -2.095 15.583 -2.149 1.00 0.00 C ATOM 1407 C THR A 97 -3.435 16.247 -2.518 1.00 0.00 C ATOM 1408 O THR A 97 -3.454 17.239 -3.253 1.00 0.00 O ATOM 1409 CB THR A 97 -1.308 16.511 -1.197 1.00 0.00 C ATOM 1410 OG1 THR A 97 0.068 16.106 -1.142 1.00 0.00 O ATOM 1411 CG2 THR A 97 -1.888 16.505 0.217 1.00 0.00 C ATOM 0 H THR A 97 -0.376 15.704 -3.330 1.00 0.00 H new ATOM 0 HA THR A 97 -2.305 14.638 -1.648 1.00 0.00 H new ATOM 0 HB THR A 97 -1.388 17.523 -1.593 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.560 16.700 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.304 17.171 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.923 16.847 0.187 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.851 15.493 0.621 1.00 0.00 H new ATOM 1419 N ASP A 98 -4.540 15.656 -2.019 1.00 0.00 N ATOM 1420 CA ASP A 98 -5.925 16.138 -2.232 1.00 0.00 C ATOM 1421 C ASP A 98 -6.519 15.612 -3.543 1.00 0.00 C ATOM 1422 O ASP A 98 -7.690 15.873 -3.842 1.00 0.00 O ATOM 1423 CB ASP A 98 -6.036 17.673 -2.161 1.00 0.00 C ATOM 1424 CG ASP A 98 -6.228 18.174 -0.744 1.00 0.00 C ATOM 1425 OD1 ASP A 98 -5.215 18.448 -0.067 1.00 0.00 O ATOM 1426 OD2 ASP A 98 -7.394 18.293 -0.311 1.00 0.00 O ATOM 0 H ASP A 98 -4.496 14.814 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.513 15.732 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.135 18.119 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.873 18.003 -2.776 1.00 0.00 H new ATOM 1431 N SER A 99 -5.719 14.853 -4.315 1.00 0.00 N ATOM 1432 CA SER A 99 -6.175 14.273 -5.563 1.00 0.00 C ATOM 1433 C SER A 99 -6.974 13.005 -5.298 1.00 0.00 C ATOM 1434 O SER A 99 -6.729 12.308 -4.312 1.00 0.00 O ATOM 1435 CB SER A 99 -4.985 13.938 -6.458 1.00 0.00 C ATOM 1436 OG SER A 99 -5.397 13.662 -7.786 1.00 0.00 O ATOM 0 H SER A 99 -4.750 14.634 -4.082 1.00 0.00 H new ATOM 0 HA SER A 99 -6.811 15.002 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.283 14.772 -6.459 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.455 13.076 -6.053 1.00 0.00 H new ATOM 0 HG SER A 99 -4.613 13.453 -8.335 1.00 0.00 H new ATOM 1442 N THR A 100 -7.937 12.723 -6.167 1.00 0.00 N ATOM 1443 CA THR A 100 -8.754 11.532 -6.050 1.00 0.00 C ATOM 1444 C THR A 100 -8.058 10.326 -6.649 1.00 0.00 C ATOM 1445 O THR A 100 -7.338 10.440 -7.647 1.00 0.00 O ATOM 1446 CB THR A 100 -10.124 11.688 -6.710 1.00 0.00 C ATOM 1447 OG1 THR A 100 -10.010 12.382 -7.959 1.00 0.00 O ATOM 1448 CG2 THR A 100 -11.072 12.424 -5.787 1.00 0.00 C ATOM 0 H THR A 100 -8.169 13.312 -6.966 1.00 0.00 H new ATOM 0 HA THR A 100 -8.903 11.381 -4.981 1.00 0.00 H new ATOM 0 HB THR A 100 -10.525 10.693 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.897 12.470 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.043 12.528 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.186 11.863 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.670 13.413 -5.565 1.00 0.00 H new ATOM 1456 N VAL A 101 -8.283 9.177 -6.030 1.00 0.00 N ATOM 1457 CA VAL A 101 -7.685 7.949 -6.458 1.00 0.00 C ATOM 1458 C VAL A 101 -8.717 6.859 -6.706 1.00 0.00 C ATOM 1459 O VAL A 101 -9.885 6.983 -6.326 1.00 0.00 O ATOM 1460 CB VAL A 101 -6.657 7.421 -5.442 1.00 0.00 C ATOM 1461 CG1 VAL A 101 -5.252 7.776 -5.880 1.00 0.00 C ATOM 1462 CG2 VAL A 101 -6.931 7.917 -4.026 1.00 0.00 C ATOM 0 H VAL A 101 -8.890 9.084 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.181 8.186 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.754 6.336 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.537 7.396 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.050 7.329 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.156 8.859 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.178 7.516 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.892 9.006 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.919 7.584 -3.709 1.00 0.00 H new ATOM 1472 N LYS A 102 -8.244 5.780 -7.331 1.00 0.00 N ATOM 1473 CA LYS A 102 -9.034 4.637 -7.656 1.00 0.00 C ATOM 1474 C LYS A 102 -8.218 3.377 -7.462 1.00 0.00 C ATOM 1475 O LYS A 102 -7.001 3.364 -7.649 1.00 0.00 O ATOM 1476 CB LYS A 102 -9.546 4.743 -9.077 1.00 0.00 C ATOM 1477 CG LYS A 102 -10.718 3.817 -9.379 1.00 0.00 C ATOM 1478 CD LYS A 102 -11.022 3.745 -10.866 1.00 0.00 C ATOM 1479 CE LYS A 102 -12.324 3.000 -11.122 1.00 0.00 C ATOM 1480 NZ LYS A 102 -12.583 2.796 -12.574 1.00 0.00 N ATOM 0 H LYS A 102 -7.271 5.695 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.896 4.593 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.850 5.772 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.731 4.518 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.495 2.817 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.602 4.166 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.089 4.753 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.204 3.244 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.290 2.032 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.151 3.557 -10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.480 2.285 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.642 3.719 -13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.808 2.241 -12.990 1.00 0.00 H new ATOM 1494 N GLN A 103 -8.923 2.320 -7.100 1.00 0.00 N ATOM 1495 CA GLN A 103 -8.340 1.015 -6.856 1.00 0.00 C ATOM 1496 C GLN A 103 -7.601 0.496 -8.095 1.00 0.00 C ATOM 1497 O GLN A 103 -8.077 0.630 -9.226 1.00 0.00 O ATOM 1498 CB GLN A 103 -9.437 0.036 -6.423 1.00 0.00 C ATOM 1499 CG GLN A 103 -8.939 -1.210 -5.681 1.00 0.00 C ATOM 1500 CD GLN A 103 -8.678 -2.379 -6.602 1.00 0.00 C ATOM 1501 OE1 GLN A 103 -8.452 -2.080 -7.864 1.00 0.00 O flip ATOM 1502 NE2 GLN A 103 -8.694 -3.535 -6.183 1.00 0.00 N flip ATOM 0 H GLN A 103 -9.934 2.346 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.606 1.104 -6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.142 0.565 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.988 -0.283 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.022 -0.965 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.677 -1.501 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.874 -3.717 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.528 -4.312 -6.823 1.00 0.00 H new ATOM 1511 N GLY A 104 -6.436 -0.086 -7.837 1.00 0.00 N ATOM 1512 CA GLY A 104 -5.578 -0.643 -8.873 1.00 0.00 C ATOM 1513 C GLY A 104 -4.802 0.395 -9.657 1.00 0.00 C ATOM 1514 O GLY A 104 -3.994 0.046 -10.520 1.00 0.00 O ATOM 0 H GLY A 104 -6.058 -0.185 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.874 -1.336 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.190 -1.222 -9.564 1.00 0.00 H new ATOM 1518 N GLN A 105 -5.067 1.672 -9.372 1.00 0.00 N ATOM 1519 CA GLN A 105 -4.401 2.781 -10.034 1.00 0.00 C ATOM 1520 C GLN A 105 -2.989 2.915 -9.525 1.00 0.00 C ATOM 1521 O GLN A 105 -2.717 2.708 -8.343 1.00 0.00 O ATOM 1522 CB GLN A 105 -5.206 4.064 -9.803 1.00 0.00 C ATOM 1523 CG GLN A 105 -4.762 5.291 -10.588 1.00 0.00 C ATOM 1524 CD GLN A 105 -5.771 6.412 -10.460 1.00 0.00 C ATOM 1525 OE1 GLN A 105 -5.736 7.103 -9.327 1.00 0.00 O flip ATOM 1526 NE2 GLN A 105 -6.588 6.635 -11.353 1.00 0.00 N flip ATOM 0 H GLN A 105 -5.752 1.960 -8.673 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.348 2.596 -11.107 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.249 3.862 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.167 4.305 -8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.791 5.628 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.636 5.029 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.576 6.077 -12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.277 7.378 -11.240 1.00 0.00 H new ATOM 1535 N ILE A 106 -2.096 3.243 -10.442 1.00 0.00 N ATOM 1536 CA ILE A 106 -0.704 3.398 -10.120 1.00 0.00 C ATOM 1537 C ILE A 106 -0.506 4.679 -9.322 1.00 0.00 C ATOM 1538 O ILE A 106 -0.506 5.790 -9.864 1.00 0.00 O ATOM 1539 CB ILE A 106 0.200 3.340 -11.369 1.00 0.00 C ATOM 1540 CG1 ILE A 106 0.124 1.939 -12.011 1.00 0.00 C ATOM 1541 CG2 ILE A 106 1.657 3.698 -11.032 1.00 0.00 C ATOM 1542 CD1 ILE A 106 0.483 1.898 -13.486 1.00 0.00 C ATOM 0 H ILE A 106 -2.322 3.407 -11.423 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.398 2.554 -9.502 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.163 4.081 -12.081 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.792 1.269 -11.469 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.887 1.551 -11.886 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.263 3.646 -11.937 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.699 4.708 -10.625 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.044 2.994 -10.295 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.402 0.874 -13.852 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.200 2.538 -14.045 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.505 2.252 -13.622 1.00 0.00 H new ATOM 1554 N ILE A 107 -0.368 4.478 -8.026 1.00 0.00 N ATOM 1555 CA ILE A 107 -0.189 5.548 -7.077 1.00 0.00 C ATOM 1556 C ILE A 107 1.290 5.843 -6.781 1.00 0.00 C ATOM 1557 O ILE A 107 1.599 6.808 -6.073 1.00 0.00 O ATOM 1558 CB ILE A 107 -0.924 5.232 -5.752 1.00 0.00 C ATOM 1559 CG1 ILE A 107 -0.774 3.751 -5.344 1.00 0.00 C ATOM 1560 CG2 ILE A 107 -2.397 5.610 -5.861 1.00 0.00 C ATOM 1561 CD1 ILE A 107 -0.642 3.540 -3.851 1.00 0.00 C ATOM 0 H ILE A 107 -0.378 3.551 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.618 6.438 -7.537 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.459 5.831 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.639 3.195 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.103 3.334 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.902 5.382 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.485 6.676 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.860 5.042 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.541 2.475 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.239 4.067 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.529 3.926 -3.349 1.00 0.00 H new ATOM 1573 N GLY A 108 2.189 5.012 -7.322 1.00 0.00 N ATOM 1574 CA GLY A 108 3.603 5.211 -7.136 1.00 0.00 C ATOM 1575 C GLY A 108 4.425 4.026 -7.595 1.00 0.00 C ATOM 1576 O GLY A 108 3.973 3.204 -8.395 1.00 0.00 O ATOM 0 H GLY A 108 1.947 4.200 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.916 6.099 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.803 5.400 -6.081 1.00 0.00 H new ATOM 1580 N TYR A 109 5.642 3.977 -7.077 1.00 0.00 N ATOM 1581 CA TYR A 109 6.617 2.944 -7.360 1.00 0.00 C ATOM 1582 C TYR A 109 7.341 2.603 -6.069 1.00 0.00 C ATOM 1583 O TYR A 109 7.709 3.499 -5.302 1.00 0.00 O ATOM 1584 CB TYR A 109 7.637 3.390 -8.426 1.00 0.00 C ATOM 1585 CG TYR A 109 7.025 3.923 -9.707 1.00 0.00 C ATOM 1586 CD1 TYR A 109 6.932 3.134 -10.845 1.00 0.00 C ATOM 1587 CD2 TYR A 109 6.542 5.222 -9.768 1.00 0.00 C ATOM 1588 CE1 TYR A 109 6.372 3.628 -12.010 1.00 0.00 C ATOM 1589 CE2 TYR A 109 5.980 5.724 -10.925 1.00 0.00 C ATOM 1590 CZ TYR A 109 5.898 4.923 -12.045 1.00 0.00 C ATOM 1591 OH TYR A 109 5.339 5.418 -13.201 1.00 0.00 O ATOM 0 H TYR A 109 5.987 4.682 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 109 6.096 2.072 -7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.276 4.161 -7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.279 2.544 -8.671 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.302 2.120 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.607 5.853 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.306 3.002 -12.888 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.607 6.737 -10.953 1.00 0.00 H new ATOM 0 HH TYR A 109 5.055 6.345 -13.056 1.00 0.00 H new ATOM 1601 N THR A 110 7.559 1.310 -5.854 1.00 0.00 N ATOM 1602 CA THR A 110 8.216 0.788 -4.653 1.00 0.00 C ATOM 1603 C THR A 110 9.642 1.320 -4.476 1.00 0.00 C ATOM 1604 O THR A 110 10.315 1.630 -5.462 1.00 0.00 O ATOM 1605 CB THR A 110 8.258 -0.749 -4.683 1.00 0.00 C ATOM 1606 OG1 THR A 110 8.291 -1.229 -6.034 1.00 0.00 O ATOM 1607 CG2 THR A 110 7.060 -1.339 -3.956 1.00 0.00 C ATOM 0 H THR A 110 7.283 0.583 -6.514 1.00 0.00 H new ATOM 0 HA THR A 110 7.621 1.134 -3.808 1.00 0.00 H new ATOM 0 HB THR A 110 9.167 -1.067 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.932 -1.967 -6.103 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.113 -2.427 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.066 -1.009 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.141 -1.005 -4.438 1.00 0.00 H new ATOM 1615 N GLY A 111 10.085 1.433 -3.211 1.00 0.00 N ATOM 1616 CA GLY A 111 11.425 1.926 -2.937 1.00 0.00 C ATOM 1617 C GLY A 111 12.031 1.326 -1.695 1.00 0.00 C ATOM 1618 O GLY A 111 11.551 0.305 -1.191 1.00 0.00 O ATOM 0 H GLY A 111 9.539 1.192 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.068 1.708 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.393 3.010 -2.831 1.00 0.00 H new ATOM 1622 N ALA A 112 13.093 1.967 -1.201 1.00 0.00 N ATOM 1623 CA ALA A 112 13.778 1.524 -0.006 1.00 0.00 C ATOM 1624 C ALA A 112 14.397 2.727 0.714 1.00 0.00 C ATOM 1625 O ALA A 112 15.550 2.686 1.166 1.00 0.00 O ATOM 1626 CB ALA A 112 14.841 0.473 -0.344 1.00 0.00 C ATOM 0 H ALA A 112 13.494 2.804 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 112 13.055 1.055 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.342 0.155 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.365 -0.387 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.573 0.902 -1.028 1.00 0.00 H new ATOM 1632 N THR A 113 13.608 3.803 0.817 1.00 0.00 N ATOM 1633 CA THR A 113 14.062 5.047 1.441 1.00 0.00 C ATOM 1634 C THR A 113 13.921 5.036 2.974 1.00 0.00 C ATOM 1635 O THR A 113 14.290 6.011 3.640 1.00 0.00 O ATOM 1636 CB THR A 113 13.305 6.269 0.869 1.00 0.00 C ATOM 1637 OG1 THR A 113 11.897 6.130 1.099 1.00 0.00 O ATOM 1638 CG2 THR A 113 13.558 6.436 -0.627 1.00 0.00 C ATOM 0 H THR A 113 12.648 3.835 0.474 1.00 0.00 H new ATOM 0 HA THR A 113 15.123 5.127 1.203 1.00 0.00 H new ATOM 0 HB THR A 113 13.678 7.155 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 113 11.710 6.236 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 113 13.010 7.304 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 113 14.624 6.579 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 113 13.220 5.544 -1.155 1.00 0.00 H new ATOM 1646 N GLY A 114 13.395 3.932 3.523 1.00 0.00 N ATOM 1647 CA GLY A 114 13.221 3.810 4.965 1.00 0.00 C ATOM 1648 C GLY A 114 14.410 3.147 5.635 1.00 0.00 C ATOM 1649 O GLY A 114 15.535 3.645 5.538 1.00 0.00 O ATOM 0 H GLY A 114 13.087 3.120 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.070 4.800 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.321 3.231 5.172 1.00 0.00 H new ATOM 1653 N GLN A 115 14.158 2.014 6.301 1.00 0.00 N ATOM 1654 CA GLN A 115 15.210 1.262 6.996 1.00 0.00 C ATOM 1655 C GLN A 115 15.835 0.212 6.076 1.00 0.00 C ATOM 1656 O GLN A 115 15.196 -0.236 5.120 1.00 0.00 O ATOM 1657 CB GLN A 115 14.643 0.590 8.250 1.00 0.00 C ATOM 1658 CG GLN A 115 14.690 1.474 9.486 1.00 0.00 C ATOM 1659 CD GLN A 115 14.140 0.780 10.719 1.00 0.00 C ATOM 1660 OE1 GLN A 115 14.869 0.098 11.438 1.00 0.00 O ATOM 1661 NE2 GLN A 115 12.848 0.956 10.969 1.00 0.00 N ATOM 0 H GLN A 115 13.230 1.596 6.373 1.00 0.00 H new ATOM 0 HA GLN A 115 15.989 1.966 7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 115 13.610 0.298 8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.202 -0.325 8.446 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.720 1.777 9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.119 2.384 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.281 1.530 10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.422 0.517 11.785 1.00 0.00 H new ATOM 1670 N VAL A 116 17.101 -0.155 6.375 1.00 0.00 N ATOM 1671 CA VAL A 116 17.903 -1.160 5.616 1.00 0.00 C ATOM 1672 C VAL A 116 17.920 -0.929 4.088 1.00 0.00 C ATOM 1673 O VAL A 116 17.138 -0.139 3.552 1.00 0.00 O ATOM 1674 CB VAL A 116 17.529 -2.653 5.943 1.00 0.00 C ATOM 1675 CG1 VAL A 116 17.920 -2.997 7.372 1.00 0.00 C ATOM 1676 CG2 VAL A 116 16.051 -2.982 5.707 1.00 0.00 C ATOM 0 H VAL A 116 17.610 0.242 7.164 1.00 0.00 H new ATOM 0 HA VAL A 116 18.917 -0.992 5.978 1.00 0.00 H new ATOM 0 HB VAL A 116 18.097 -3.267 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 116 17.655 -4.033 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 116 18.995 -2.865 7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.391 -2.340 8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 116 15.867 -4.028 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 116 15.431 -2.346 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 116 15.802 -2.807 4.660 1.00 0.00 H new ATOM 1686 N THR A 117 18.833 -1.632 3.402 1.00 0.00 N ATOM 1687 CA THR A 117 18.980 -1.528 1.943 1.00 0.00 C ATOM 1688 C THR A 117 17.988 -2.438 1.200 1.00 0.00 C ATOM 1689 O THR A 117 18.020 -2.531 -0.033 1.00 0.00 O ATOM 1690 CB THR A 117 20.419 -1.879 1.495 1.00 0.00 C ATOM 1691 OG1 THR A 117 20.840 -3.104 2.107 1.00 0.00 O ATOM 1692 CG2 THR A 117 21.397 -0.765 1.850 1.00 0.00 C ATOM 0 H THR A 117 19.485 -2.283 3.839 1.00 0.00 H new ATOM 0 HA THR A 117 18.765 -0.491 1.687 1.00 0.00 H new ATOM 0 HB THR A 117 20.413 -1.996 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 117 21.751 -3.319 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 117 22.399 -1.042 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 117 21.095 0.157 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 117 21.398 -0.612 2.929 1.00 0.00 H new ATOM 1700 N GLY A 118 17.101 -3.091 1.966 1.00 0.00 N ATOM 1701 CA GLY A 118 16.105 -3.989 1.396 1.00 0.00 C ATOM 1702 C GLY A 118 14.813 -3.269 1.003 1.00 0.00 C ATOM 1703 O GLY A 118 14.133 -2.736 1.885 1.00 0.00 O ATOM 0 H GLY A 118 17.059 -3.009 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.524 -4.479 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 118 15.874 -4.773 2.117 1.00 0.00 H new ATOM 1707 N PRO A 119 14.432 -3.223 -0.317 1.00 0.00 N ATOM 1708 CA PRO A 119 13.192 -2.556 -0.762 1.00 0.00 C ATOM 1709 C PRO A 119 11.945 -3.356 -0.399 1.00 0.00 C ATOM 1710 O PRO A 119 11.978 -4.590 -0.413 1.00 0.00 O ATOM 1711 CB PRO A 119 13.331 -2.477 -2.292 1.00 0.00 C ATOM 1712 CG PRO A 119 14.714 -2.941 -2.615 1.00 0.00 C ATOM 1713 CD PRO A 119 15.162 -3.798 -1.468 1.00 0.00 C ATOM 0 HA PRO A 119 13.074 -1.584 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.587 -3.104 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 119 13.171 -1.458 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 119 14.724 -3.506 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 119 15.385 -2.093 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.908 -4.846 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.242 -3.750 -1.326 1.00 0.00 H new ATOM 1721 N HIS A 120 10.857 -2.654 -0.026 1.00 0.00 N ATOM 1722 CA HIS A 120 9.608 -3.297 0.335 1.00 0.00 C ATOM 1723 C HIS A 120 8.443 -2.305 0.316 1.00 0.00 C ATOM 1724 O HIS A 120 8.574 -1.168 -0.149 1.00 0.00 O ATOM 1725 CB HIS A 120 9.726 -4.022 1.704 1.00 0.00 C ATOM 1726 CG HIS A 120 10.081 -3.132 2.861 1.00 0.00 C ATOM 1727 ND1 HIS A 120 11.377 -2.766 3.157 1.00 0.00 N ATOM 1728 CD2 HIS A 120 9.299 -2.537 3.791 1.00 0.00 C ATOM 1729 CE1 HIS A 120 11.378 -1.984 4.221 1.00 0.00 C ATOM 1730 NE2 HIS A 120 10.130 -1.828 4.624 1.00 0.00 N ATOM 0 H HIS A 120 10.833 -1.636 0.029 1.00 0.00 H new ATOM 0 HA HIS A 120 9.395 -4.056 -0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.778 -4.515 1.921 1.00 0.00 H new ATOM 0 HB3 HIS A 120 10.481 -4.804 1.621 1.00 0.00 H new ATOM 0 HD1 HIS A 120 12.205 -3.054 2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 120 8.224 -2.606 3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.251 -1.547 4.683 1.00 0.00 H new ATOM 1739 N LEU A 121 7.313 -2.781 0.813 1.00 0.00 N ATOM 1740 CA LEU A 121 6.089 -2.040 0.868 1.00 0.00 C ATOM 1741 C LEU A 121 5.561 -1.993 2.287 1.00 0.00 C ATOM 1742 O LEU A 121 5.482 -3.011 2.979 1.00 0.00 O ATOM 1743 CB LEU A 121 5.059 -2.657 -0.101 1.00 0.00 C ATOM 1744 CG LEU A 121 3.565 -2.357 0.143 1.00 0.00 C ATOM 1745 CD1 LEU A 121 3.215 -0.919 -0.229 1.00 0.00 C ATOM 1746 CD2 LEU A 121 2.699 -3.329 -0.645 1.00 0.00 C ATOM 0 H LEU A 121 7.233 -3.722 1.197 1.00 0.00 H new ATOM 0 HA LEU A 121 6.276 -1.013 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.307 -2.323 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.190 -3.739 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 121 3.369 -2.483 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.155 -0.743 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.808 -0.232 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.432 -0.753 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.647 -3.107 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.914 -3.228 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.915 -4.349 -0.327 1.00 0.00 H new ATOM 1758 N HIS A 122 5.222 -0.792 2.701 1.00 0.00 N ATOM 1759 CA HIS A 122 4.672 -0.550 4.003 1.00 0.00 C ATOM 1760 C HIS A 122 3.217 -0.098 3.865 1.00 0.00 C ATOM 1761 O HIS A 122 2.942 1.028 3.439 1.00 0.00 O ATOM 1762 CB HIS A 122 5.524 0.479 4.786 1.00 0.00 C ATOM 1763 CG HIS A 122 4.854 1.036 6.023 1.00 0.00 C ATOM 1764 ND1 HIS A 122 5.120 0.531 7.274 1.00 0.00 N ATOM 1765 CD2 HIS A 122 3.881 1.981 6.126 1.00 0.00 C ATOM 1766 CE1 HIS A 122 4.293 1.163 8.101 1.00 0.00 C ATOM 1767 NE2 HIS A 122 3.532 2.048 7.446 1.00 0.00 N ATOM 0 H HIS A 122 5.324 0.048 2.132 1.00 0.00 H new ATOM 0 HA HIS A 122 4.692 -1.475 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.463 0.008 5.077 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.775 1.305 4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 122 3.464 2.566 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 122 4.242 0.985 9.165 1.00 0.00 H new ATOM 0 HE2 HIS A 122 2.824 2.658 7.855 1.00 0.00 H new ATOM 1775 N PHE A 123 2.308 -0.970 4.275 1.00 0.00 N ATOM 1776 CA PHE A 123 0.883 -0.700 4.206 1.00 0.00 C ATOM 1777 C PHE A 123 0.298 -0.615 5.615 1.00 0.00 C ATOM 1778 O PHE A 123 0.216 -1.615 6.339 1.00 0.00 O ATOM 1779 CB PHE A 123 0.177 -1.802 3.392 1.00 0.00 C ATOM 1780 CG PHE A 123 -1.207 -1.458 2.900 1.00 0.00 C ATOM 1781 CD1 PHE A 123 -2.338 -1.905 3.577 1.00 0.00 C ATOM 1782 CD2 PHE A 123 -1.375 -0.708 1.747 1.00 0.00 C ATOM 1783 CE1 PHE A 123 -3.602 -1.606 3.107 1.00 0.00 C ATOM 1784 CE2 PHE A 123 -2.636 -0.405 1.280 1.00 0.00 C ATOM 1785 CZ PHE A 123 -3.750 -0.855 1.959 1.00 0.00 C ATOM 0 H PHE A 123 2.539 -1.884 4.665 1.00 0.00 H new ATOM 0 HA PHE A 123 0.724 0.256 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 123 0.799 -2.049 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.113 -2.700 4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -2.226 -2.491 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -0.508 -0.357 1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -4.474 -1.960 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -2.752 0.185 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 123 -4.738 -0.619 1.592 1.00 0.00 H new ATOM 1795 N GLU A 124 -0.081 0.595 5.990 1.00 0.00 N ATOM 1796 CA GLU A 124 -0.680 0.870 7.261 1.00 0.00 C ATOM 1797 C GLU A 124 -2.102 1.338 7.013 1.00 0.00 C ATOM 1798 O GLU A 124 -2.345 2.270 6.248 1.00 0.00 O ATOM 1799 CB GLU A 124 0.141 1.922 8.024 1.00 0.00 C ATOM 1800 CG GLU A 124 -0.029 1.864 9.538 1.00 0.00 C ATOM 1801 CD GLU A 124 0.742 2.957 10.251 1.00 0.00 C ATOM 1802 OE1 GLU A 124 0.097 3.857 10.830 1.00 0.00 O ATOM 1803 OE2 GLU A 124 1.991 2.917 10.229 1.00 0.00 O ATOM 0 H GLU A 124 0.026 1.421 5.401 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.697 -0.026 7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.196 1.790 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.145 2.914 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.087 1.950 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 124 0.305 0.892 9.901 1.00 0.00 H new ATOM 1810 N MET A 125 -3.015 0.677 7.687 1.00 0.00 N ATOM 1811 CA MET A 125 -4.425 0.922 7.579 1.00 0.00 C ATOM 1812 C MET A 125 -4.970 1.276 8.945 1.00 0.00 C ATOM 1813 O MET A 125 -4.676 0.626 9.953 1.00 0.00 O ATOM 1814 CB MET A 125 -5.084 -0.313 6.958 1.00 0.00 C ATOM 1815 CG MET A 125 -6.576 -0.523 7.218 1.00 0.00 C ATOM 1816 SD MET A 125 -7.392 -1.397 5.867 1.00 0.00 S ATOM 1817 CE MET A 125 -8.373 -2.591 6.774 1.00 0.00 C ATOM 0 H MET A 125 -2.784 -0.068 8.344 1.00 0.00 H new ATOM 0 HA MET A 125 -4.643 1.768 6.927 1.00 0.00 H new ATOM 0 HB2 MET A 125 -4.934 -0.268 5.879 1.00 0.00 H new ATOM 0 HB3 MET A 125 -4.553 -1.194 7.317 1.00 0.00 H new ATOM 0 HG2 MET A 125 -6.705 -1.086 8.142 1.00 0.00 H new ATOM 0 HG3 MET A 125 -7.056 0.444 7.364 1.00 0.00 H new ATOM 0 HE1 MET A 125 -8.321 -3.559 6.275 1.00 0.00 H new ATOM 0 HE2 MET A 125 -7.986 -2.685 7.789 1.00 0.00 H new ATOM 0 HE3 MET A 125 -9.410 -2.257 6.811 1.00 0.00 H new ATOM 1827 N LEU A 126 -5.777 2.311 8.931 1.00 0.00 N ATOM 1828 CA LEU A 126 -6.379 2.868 10.119 1.00 0.00 C ATOM 1829 C LEU A 126 -7.810 3.349 9.819 1.00 0.00 C ATOM 1830 O LEU A 126 -8.165 3.475 8.653 1.00 0.00 O ATOM 1831 CB LEU A 126 -5.544 4.069 10.591 1.00 0.00 C ATOM 1832 CG LEU A 126 -4.396 3.763 11.552 1.00 0.00 C ATOM 1833 CD1 LEU A 126 -3.099 3.541 10.791 1.00 0.00 C ATOM 1834 CD2 LEU A 126 -4.245 4.891 12.558 1.00 0.00 C ATOM 0 H LEU A 126 -6.039 2.800 8.075 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.412 2.099 10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.131 4.564 9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.213 4.782 11.074 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.628 2.844 12.091 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.296 3.325 11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.218 2.701 10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.852 4.438 10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.424 4.664 13.239 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.033 5.822 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.169 4.998 13.126 1.00 0.00 H new ATOM 1846 N PRO A 127 -8.663 3.617 10.856 1.00 0.00 N ATOM 1847 CA PRO A 127 -10.038 4.129 10.665 1.00 0.00 C ATOM 1848 C PRO A 127 -10.089 5.484 9.988 1.00 0.00 C ATOM 1849 O PRO A 127 -9.056 6.059 9.645 1.00 0.00 O ATOM 1850 CB PRO A 127 -10.567 4.322 12.090 1.00 0.00 C ATOM 1851 CG PRO A 127 -9.374 4.283 12.973 1.00 0.00 C ATOM 1852 CD PRO A 127 -8.387 3.402 12.287 1.00 0.00 C ATOM 0 HA PRO A 127 -10.602 3.439 10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -11.094 5.271 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -11.275 3.536 12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -8.967 5.283 13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -9.629 3.891 13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -7.363 3.673 12.542 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -8.520 2.357 12.568 1.00 0.00 H new ATOM 1860 N ALA A 128 -11.311 5.996 9.825 1.00 0.00 N ATOM 1861 CA ALA A 128 -11.519 7.311 9.270 1.00 0.00 C ATOM 1862 C ALA A 128 -11.021 8.359 10.267 1.00 0.00 C ATOM 1863 O ALA A 128 -10.571 9.445 9.892 1.00 0.00 O ATOM 1864 CB ALA A 128 -12.988 7.530 8.963 1.00 0.00 C ATOM 0 H ALA A 128 -12.170 5.506 10.075 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.961 7.403 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.128 8.527 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.324 6.784 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.569 7.437 9.880 1.00 0.00 H new ATOM 1870 N ASN A 129 -11.099 7.969 11.552 1.00 0.00 N ATOM 1871 CA ASN A 129 -10.686 8.795 12.685 1.00 0.00 C ATOM 1872 C ASN A 129 -10.403 7.896 13.856 1.00 0.00 C ATOM 1873 O ASN A 129 -11.320 7.391 14.514 1.00 0.00 O ATOM 1874 CB ASN A 129 -11.711 9.889 13.036 1.00 0.00 C ATOM 1875 CG ASN A 129 -11.271 11.265 12.571 1.00 0.00 C ATOM 1876 OD1 ASN A 129 -10.666 12.025 13.327 1.00 0.00 O ATOM 1877 ND2 ASN A 129 -11.569 11.589 11.318 1.00 0.00 N ATOM 0 H ASN A 129 -11.457 7.055 11.830 1.00 0.00 H new ATOM 0 HA ASN A 129 -9.780 9.335 12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -12.670 9.644 12.580 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -11.866 9.905 14.115 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -11.295 12.499 10.948 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -12.072 10.928 10.726 1.00 0.00 H new ATOM 1884 N PRO A 130 -9.102 7.686 14.133 1.00 0.00 N ATOM 1885 CA PRO A 130 -8.666 6.793 15.180 1.00 0.00 C ATOM 1886 C PRO A 130 -8.848 7.273 16.605 1.00 0.00 C ATOM 1887 O PRO A 130 -9.053 8.457 16.881 1.00 0.00 O ATOM 1888 CB PRO A 130 -7.177 6.565 14.931 1.00 0.00 C ATOM 1889 CG PRO A 130 -6.879 7.252 13.635 1.00 0.00 C ATOM 1890 CD PRO A 130 -7.954 8.266 13.421 1.00 0.00 C ATOM 0 HA PRO A 130 -9.292 5.903 15.121 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -6.576 6.978 15.741 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -6.947 5.501 14.873 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -5.900 7.729 13.668 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -6.857 6.535 12.815 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -7.677 9.239 13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -8.167 8.411 12.362 1.00 0.00 H new ATOM 1898 N ASN A 131 -8.764 6.285 17.482 1.00 0.00 N ATOM 1899 CA ASN A 131 -8.852 6.446 18.894 1.00 0.00 C ATOM 1900 C ASN A 131 -7.533 5.984 19.487 1.00 0.00 C ATOM 1901 O ASN A 131 -7.448 4.951 20.168 1.00 0.00 O ATOM 1902 CB ASN A 131 -10.004 5.626 19.418 1.00 0.00 C ATOM 1903 CG ASN A 131 -10.753 6.314 20.523 1.00 0.00 C ATOM 1904 OD1 ASN A 131 -10.429 6.177 21.702 1.00 0.00 O ATOM 1905 ND2 ASN A 131 -11.768 7.064 20.134 1.00 0.00 N ATOM 0 H ASN A 131 -8.627 5.314 17.200 1.00 0.00 H new ATOM 0 HA ASN A 131 -9.032 7.485 19.168 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.691 5.409 18.600 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -9.628 4.670 19.781 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -12.327 7.565 20.825 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -11.993 7.143 19.142 1.00 0.00 H new ATOM 1912 N TRP A 132 -6.500 6.795 19.235 1.00 0.00 N ATOM 1913 CA TRP A 132 -5.126 6.526 19.686 1.00 0.00 C ATOM 1914 C TRP A 132 -5.007 6.494 21.223 1.00 0.00 C ATOM 1915 O TRP A 132 -3.904 6.488 21.784 1.00 0.00 O ATOM 1916 CB TRP A 132 -4.151 7.584 19.135 1.00 0.00 C ATOM 1917 CG TRP A 132 -4.393 7.972 17.706 1.00 0.00 C ATOM 1918 CD1 TRP A 132 -4.049 7.256 16.600 1.00 0.00 C ATOM 1919 CD2 TRP A 132 -5.039 9.160 17.230 1.00 0.00 C ATOM 1920 NE1 TRP A 132 -4.425 7.931 15.468 1.00 0.00 N ATOM 1921 CE2 TRP A 132 -5.038 9.095 15.828 1.00 0.00 C ATOM 1922 CE3 TRP A 132 -5.619 10.275 17.850 1.00 0.00 C ATOM 1923 CZ2 TRP A 132 -5.586 10.087 15.035 1.00 0.00 C ATOM 1924 CZ3 TRP A 132 -6.167 11.266 17.057 1.00 0.00 C ATOM 1925 CH2 TRP A 132 -6.147 11.165 15.660 1.00 0.00 C ATOM 0 H TRP A 132 -6.592 7.664 18.708 1.00 0.00 H new ATOM 0 HA TRP A 132 -4.866 5.540 19.300 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -4.216 8.477 19.756 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -3.133 7.204 19.227 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -3.553 6.297 16.613 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -4.271 7.614 14.511 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.638 10.358 18.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -5.571 10.012 13.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -6.617 12.131 17.521 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -6.583 11.954 15.066 1.00 0.00 H new ATOM 1936 N GLN A 133 -6.164 6.449 21.879 1.00 0.00 N ATOM 1937 CA GLN A 133 -6.282 6.443 23.319 1.00 0.00 C ATOM 1938 C GLN A 133 -6.085 5.048 23.924 1.00 0.00 C ATOM 1939 O GLN A 133 -6.709 4.671 24.925 1.00 0.00 O ATOM 1940 CB GLN A 133 -7.647 6.994 23.681 1.00 0.00 C ATOM 1941 CG GLN A 133 -7.853 8.472 23.332 1.00 0.00 C ATOM 1942 CD GLN A 133 -8.270 8.681 21.880 1.00 0.00 C ATOM 1943 OE1 GLN A 133 -7.297 8.627 20.971 1.00 0.00 O flip ATOM 1944 NE2 GLN A 133 -9.451 8.858 21.580 1.00 0.00 N flip ATOM 0 H GLN A 133 -7.065 6.415 21.402 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.490 7.065 23.736 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -8.409 6.404 23.171 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.805 6.862 24.751 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.614 8.894 23.989 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.929 9.018 23.523 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.163 8.892 22.310 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.717 8.970 20.602 1.00 0.00 H new ATOM 1953 N ASN A 134 -5.203 4.300 23.271 1.00 0.00 N ATOM 1954 CA ASN A 134 -4.807 2.935 23.630 1.00 0.00 C ATOM 1955 C ASN A 134 -5.914 1.958 23.319 1.00 0.00 C ATOM 1956 O ASN A 134 -7.067 2.161 23.713 1.00 0.00 O ATOM 1957 CB ASN A 134 -4.373 2.822 25.100 1.00 0.00 C ATOM 1958 CG ASN A 134 -3.043 3.498 25.342 1.00 0.00 C ATOM 1959 OD1 ASN A 134 -2.009 2.842 25.459 1.00 0.00 O ATOM 1960 ND2 ASN A 134 -3.063 4.823 25.397 1.00 0.00 N ATOM 0 H ASN A 134 -4.720 4.640 22.439 1.00 0.00 H new ATOM 0 HA ASN A 134 -3.939 2.682 23.022 1.00 0.00 H new ATOM 0 HB2 ASN A 134 -5.132 3.272 25.740 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -4.303 1.771 25.379 1.00 0.00 H new ATOM 0 HD21 ASN A 134 -2.196 5.341 25.542 1.00 0.00 H new ATOM 0 HD22 ASN A 134 -3.945 5.324 25.295 1.00 0.00 H new ATOM 1967 N GLY A 135 -5.551 0.907 22.601 1.00 0.00 N ATOM 1968 CA GLY A 135 -6.517 -0.092 22.229 1.00 0.00 C ATOM 1969 C GLY A 135 -6.202 -0.757 20.908 1.00 0.00 C ATOM 1970 O GLY A 135 -6.245 -1.985 20.810 1.00 0.00 O ATOM 0 H GLY A 135 -4.602 0.732 22.271 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.565 -0.852 23.009 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -7.503 0.368 22.171 1.00 0.00 H new ATOM 1974 N PHE A 136 -5.910 0.054 19.882 1.00 0.00 N ATOM 1975 CA PHE A 136 -5.571 -0.464 18.549 1.00 0.00 C ATOM 1976 C PHE A 136 -4.629 0.471 17.803 1.00 0.00 C ATOM 1977 O PHE A 136 -3.950 0.054 16.869 1.00 0.00 O ATOM 1978 CB PHE A 136 -6.839 -0.716 17.692 1.00 0.00 C ATOM 1979 CG PHE A 136 -7.997 0.264 17.861 1.00 0.00 C ATOM 1980 CD1 PHE A 136 -7.804 1.628 18.096 1.00 0.00 C ATOM 1981 CD2 PHE A 136 -9.298 -0.200 17.749 1.00 0.00 C ATOM 1982 CE1 PHE A 136 -8.876 2.483 18.213 1.00 0.00 C ATOM 1983 CE2 PHE A 136 -10.374 0.657 17.873 1.00 0.00 C ATOM 1984 CZ PHE A 136 -10.163 1.999 18.104 1.00 0.00 C ATOM 0 H PHE A 136 -5.902 1.072 19.949 1.00 0.00 H new ATOM 0 HA PHE A 136 -5.063 -1.415 18.709 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -6.544 -0.714 16.643 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -7.207 -1.717 17.918 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.800 2.016 18.187 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -9.473 -1.249 17.562 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.709 3.535 18.391 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -11.381 0.275 17.789 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.004 2.670 18.199 1.00 0.00 H new ATOM 1994 N SER A 137 -4.605 1.742 18.234 1.00 0.00 N ATOM 1995 CA SER A 137 -3.796 2.826 17.638 1.00 0.00 C ATOM 1996 C SER A 137 -4.324 3.091 16.243 1.00 0.00 C ATOM 1997 O SER A 137 -3.687 3.731 15.396 1.00 0.00 O ATOM 1998 CB SER A 137 -2.286 2.504 17.637 1.00 0.00 C ATOM 1999 OG SER A 137 -1.523 3.620 17.208 1.00 0.00 O ATOM 0 H SER A 137 -5.162 2.056 19.029 1.00 0.00 H new ATOM 0 HA SER A 137 -3.892 3.726 18.246 1.00 0.00 H new ATOM 0 HB2 SER A 137 -1.974 2.210 18.639 1.00 0.00 H new ATOM 0 HB3 SER A 137 -2.093 1.655 16.981 1.00 0.00 H new ATOM 0 HG SER A 137 -1.964 4.042 16.441 1.00 0.00 H new ATOM 2005 N GLY A 138 -5.551 2.593 16.063 1.00 0.00 N ATOM 2006 CA GLY A 138 -6.272 2.707 14.827 1.00 0.00 C ATOM 2007 C GLY A 138 -5.756 1.762 13.763 1.00 0.00 C ATOM 2008 O GLY A 138 -6.385 1.586 12.723 1.00 0.00 O ATOM 0 H GLY A 138 -6.063 2.096 16.791 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.328 2.504 15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.201 3.732 14.463 1.00 0.00 H new ATOM 2012 N ARG A 139 -4.600 1.148 14.018 1.00 0.00 N ATOM 2013 CA ARG A 139 -4.009 0.227 13.048 1.00 0.00 C ATOM 2014 C ARG A 139 -4.672 -1.151 13.083 1.00 0.00 C ATOM 2015 O ARG A 139 -4.764 -1.778 14.143 1.00 0.00 O ATOM 2016 CB ARG A 139 -2.483 0.098 13.240 1.00 0.00 C ATOM 2017 CG ARG A 139 -2.018 -0.051 14.690 1.00 0.00 C ATOM 2018 CD ARG A 139 -1.936 -1.505 15.136 1.00 0.00 C ATOM 2019 NE ARG A 139 -1.650 -1.620 16.575 1.00 0.00 N ATOM 2020 CZ ARG A 139 -0.420 -1.731 17.109 1.00 0.00 C ATOM 2021 NH1 ARG A 139 0.666 -1.748 16.337 1.00 0.00 N ATOM 2022 NH2 ARG A 139 -0.283 -1.818 18.425 1.00 0.00 N ATOM 0 H ARG A 139 -4.061 1.269 14.875 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.193 0.658 12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -2.133 -0.765 12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -2.003 0.977 12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -1.039 0.415 14.803 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -2.704 0.487 15.344 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -2.877 -2.008 14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -1.158 -2.016 14.569 1.00 0.00 H new ATOM 0 HE ARG A 139 -2.444 -1.615 17.216 1.00 0.00 H new ATOM 0 HH11 ARG A 139 0.573 -1.676 15.324 1.00 0.00 H new ATOM 0 HH12 ARG A 139 1.591 -1.833 16.759 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -1.107 -1.801 19.026 1.00 0.00 H new ATOM 0 HH22 ARG A 139 0.646 -1.902 18.837 1.00 0.00 H new ATOM 2036 N ILE A 140 -5.139 -1.602 11.916 1.00 0.00 N ATOM 2037 CA ILE A 140 -5.780 -2.905 11.802 1.00 0.00 C ATOM 2038 C ILE A 140 -5.192 -3.736 10.656 1.00 0.00 C ATOM 2039 O ILE A 140 -4.255 -3.305 9.977 1.00 0.00 O ATOM 2040 CB ILE A 140 -7.323 -2.831 11.657 1.00 0.00 C ATOM 2041 CG1 ILE A 140 -7.875 -1.415 11.871 1.00 0.00 C ATOM 2042 CG2 ILE A 140 -7.982 -3.793 12.634 1.00 0.00 C ATOM 2043 CD1 ILE A 140 -7.897 -0.576 10.611 1.00 0.00 C ATOM 0 H ILE A 140 -5.083 -1.082 11.041 1.00 0.00 H new ATOM 0 HA ILE A 140 -5.568 -3.402 12.749 1.00 0.00 H new ATOM 0 HB ILE A 140 -7.559 -3.115 10.632 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -8.888 -1.485 12.269 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.271 -0.909 12.624 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -9.065 -3.736 12.526 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -7.650 -4.810 12.424 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -7.704 -3.524 13.653 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -8.299 0.411 10.838 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.883 -0.475 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -8.525 -1.060 9.863 1.00 0.00 H new ATOM 2055 N ASP A 141 -5.796 -4.912 10.424 1.00 0.00 N ATOM 2056 CA ASP A 141 -5.339 -5.871 9.415 1.00 0.00 C ATOM 2057 C ASP A 141 -5.780 -5.508 7.976 1.00 0.00 C ATOM 2058 O ASP A 141 -6.946 -5.162 7.769 1.00 0.00 O ATOM 2059 CB ASP A 141 -5.827 -7.290 9.770 1.00 0.00 C ATOM 2060 CG ASP A 141 -7.328 -7.382 10.023 1.00 0.00 C ATOM 2061 OD1 ASP A 141 -7.719 -7.650 11.178 1.00 0.00 O ATOM 2062 OD2 ASP A 141 -8.105 -7.183 9.066 1.00 0.00 O ATOM 0 H ASP A 141 -6.621 -5.223 10.937 1.00 0.00 H new ATOM 0 HA ASP A 141 -4.250 -5.834 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -5.563 -7.968 8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -5.297 -7.634 10.658 1.00 0.00 H new ATOM 2067 N PRO A 142 -4.849 -5.554 6.962 1.00 0.00 N ATOM 2068 CA PRO A 142 -5.189 -5.266 5.554 1.00 0.00 C ATOM 2069 C PRO A 142 -5.927 -6.432 4.863 1.00 0.00 C ATOM 2070 O PRO A 142 -6.343 -6.316 3.707 1.00 0.00 O ATOM 2071 CB PRO A 142 -3.831 -5.050 4.867 1.00 0.00 C ATOM 2072 CG PRO A 142 -2.784 -5.188 5.925 1.00 0.00 C ATOM 2073 CD PRO A 142 -3.415 -5.888 7.094 1.00 0.00 C ATOM 0 HA PRO A 142 -5.861 -4.410 5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -3.678 -5.782 4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -3.785 -4.064 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -1.933 -5.757 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -2.407 -4.209 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -3.248 -6.964 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -3.006 -5.536 8.041 1.00 0.00 H new ATOM 2081 N THR A 143 -6.118 -7.540 5.611 1.00 0.00 N ATOM 2082 CA THR A 143 -6.759 -8.771 5.133 1.00 0.00 C ATOM 2083 C THR A 143 -8.129 -8.558 4.494 1.00 0.00 C ATOM 2084 O THR A 143 -8.584 -9.382 3.695 1.00 0.00 O ATOM 2085 CB THR A 143 -6.895 -9.790 6.276 1.00 0.00 C ATOM 2086 OG1 THR A 143 -7.035 -9.122 7.536 1.00 0.00 O ATOM 2087 CG2 THR A 143 -5.696 -10.725 6.314 1.00 0.00 C ATOM 0 H THR A 143 -5.822 -7.599 6.585 1.00 0.00 H new ATOM 0 HA THR A 143 -6.100 -9.150 4.352 1.00 0.00 H new ATOM 0 HB THR A 143 -7.791 -10.382 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 143 -7.707 -8.413 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 143 -5.815 -11.437 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 143 -5.626 -11.265 5.370 1.00 0.00 H new ATOM 0 HG23 THR A 143 -4.787 -10.144 6.469 1.00 0.00 H new ATOM 2095 N GLY A 144 -8.773 -7.453 4.858 1.00 0.00 N ATOM 2096 CA GLY A 144 -10.098 -7.127 4.340 1.00 0.00 C ATOM 2097 C GLY A 144 -10.074 -6.803 2.857 1.00 0.00 C ATOM 2098 O GLY A 144 -11.034 -7.096 2.138 1.00 0.00 O ATOM 0 H GLY A 144 -8.397 -6.766 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.771 -7.967 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -10.501 -6.276 4.889 1.00 0.00 H new ATOM 2102 N TYR A 145 -8.950 -6.237 2.405 1.00 0.00 N ATOM 2103 CA TYR A 145 -8.769 -5.857 1.013 1.00 0.00 C ATOM 2104 C TYR A 145 -7.878 -6.846 0.263 1.00 0.00 C ATOM 2105 O TYR A 145 -7.787 -6.805 -0.969 1.00 0.00 O ATOM 2106 CB TYR A 145 -8.164 -4.455 0.906 1.00 0.00 C ATOM 2107 CG TYR A 145 -8.997 -3.368 1.544 1.00 0.00 C ATOM 2108 CD1 TYR A 145 -9.022 -3.214 2.922 1.00 0.00 C ATOM 2109 CD2 TYR A 145 -9.757 -2.506 0.769 1.00 0.00 C ATOM 2110 CE1 TYR A 145 -9.787 -2.224 3.513 1.00 0.00 C ATOM 2111 CE2 TYR A 145 -10.523 -1.514 1.350 1.00 0.00 C ATOM 2112 CZ TYR A 145 -10.536 -1.378 2.722 1.00 0.00 C ATOM 2113 OH TYR A 145 -11.298 -0.390 3.304 1.00 0.00 O ATOM 0 H TYR A 145 -8.146 -6.033 2.998 1.00 0.00 H new ATOM 0 HA TYR A 145 -9.758 -5.865 0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -7.178 -4.461 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -8.018 -4.214 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -8.436 -3.876 3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -9.750 -2.612 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -9.798 -2.114 4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -11.108 -0.849 0.733 1.00 0.00 H new ATOM 0 HH TYR A 145 -10.740 0.138 3.912 1.00 0.00 H new ATOM 2123 N ILE A 146 -7.221 -7.724 1.021 1.00 0.00 N ATOM 2124 CA ILE A 146 -6.330 -8.729 0.453 1.00 0.00 C ATOM 2125 C ILE A 146 -7.064 -10.069 0.278 1.00 0.00 C ATOM 2126 O ILE A 146 -6.547 -10.997 -0.351 1.00 0.00 O ATOM 2127 CB ILE A 146 -5.042 -8.924 1.327 1.00 0.00 C ATOM 2128 CG1 ILE A 146 -4.393 -7.565 1.723 1.00 0.00 C ATOM 2129 CG2 ILE A 146 -4.006 -9.823 0.630 1.00 0.00 C ATOM 2130 CD1 ILE A 146 -3.967 -6.661 0.563 1.00 0.00 C ATOM 0 H ILE A 146 -7.292 -7.757 2.038 1.00 0.00 H new ATOM 0 HA ILE A 146 -6.016 -8.369 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 146 -5.367 -9.423 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -5.099 -7.015 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -3.517 -7.769 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -3.130 -9.932 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -4.443 -10.804 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -3.710 -9.371 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -3.529 -5.744 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -3.231 -7.180 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -4.838 -6.414 -0.045 1.00 0.00 H new ATOM 2142 N ALA A 147 -8.280 -10.140 0.823 1.00 0.00 N ATOM 2143 CA ALA A 147 -9.132 -11.322 0.718 1.00 0.00 C ATOM 2144 C ALA A 147 -9.777 -11.422 -0.658 1.00 0.00 C ATOM 2145 O ALA A 147 -10.172 -12.506 -1.096 1.00 0.00 O ATOM 2146 CB ALA A 147 -10.203 -11.293 1.783 1.00 0.00 C ATOM 0 H ALA A 147 -8.701 -9.376 1.351 1.00 0.00 H new ATOM 0 HA ALA A 147 -8.501 -12.199 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -10.830 -12.180 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -9.736 -11.278 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -10.816 -10.401 1.658 1.00 0.00 H new ATOM 2152 N ASN A 148 -9.889 -10.269 -1.314 1.00 0.00 N ATOM 2153 CA ASN A 148 -10.462 -10.163 -2.623 1.00 0.00 C ATOM 2154 C ASN A 148 -9.348 -10.061 -3.642 1.00 0.00 C ATOM 2155 O ASN A 148 -9.559 -9.727 -4.814 1.00 0.00 O ATOM 2156 CB ASN A 148 -11.373 -8.929 -2.673 1.00 0.00 C ATOM 2157 CG ASN A 148 -11.968 -8.571 -1.325 1.00 0.00 C ATOM 2158 OD1 ASN A 148 -13.077 -8.980 -0.983 1.00 0.00 O ATOM 2159 ND2 ASN A 148 -11.215 -7.804 -0.560 1.00 0.00 N ATOM 0 H ASN A 148 -9.575 -9.377 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 148 -11.061 -11.044 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 148 -10.803 -8.079 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 148 -12.180 -9.110 -3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 148 -11.546 -7.523 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 148 -10.302 -7.492 -0.892 1.00 0.00 H new ATOM 2166 N ALA A 149 -8.158 -10.375 -3.154 1.00 0.00 N ATOM 2167 CA ALA A 149 -6.967 -10.324 -3.916 1.00 0.00 C ATOM 2168 C ALA A 149 -6.552 -11.707 -4.458 1.00 0.00 C ATOM 2169 O ALA A 149 -6.989 -12.738 -3.938 1.00 0.00 O ATOM 2170 CB ALA A 149 -5.893 -9.712 -3.035 1.00 0.00 C ATOM 0 H ALA A 149 -8.014 -10.677 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 149 -7.123 -9.711 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.956 -9.656 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -6.197 -8.710 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.753 -10.331 -2.149 1.00 0.00 H new ATOM 2176 N PRO A 150 -5.716 -11.735 -5.537 1.00 0.00 N ATOM 2177 CA PRO A 150 -5.204 -12.974 -6.172 1.00 0.00 C ATOM 2178 C PRO A 150 -4.484 -13.926 -5.197 1.00 0.00 C ATOM 2179 O PRO A 150 -4.330 -13.616 -4.013 1.00 0.00 O ATOM 2180 CB PRO A 150 -4.234 -12.465 -7.253 1.00 0.00 C ATOM 2181 CG PRO A 150 -4.014 -11.030 -6.945 1.00 0.00 C ATOM 2182 CD PRO A 150 -5.257 -10.551 -6.264 1.00 0.00 C ATOM 0 HA PRO A 150 -6.026 -13.573 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -3.296 -13.019 -7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -4.656 -12.592 -8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -3.144 -10.899 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -3.826 -10.461 -7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -5.052 -9.719 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -6.001 -10.205 -6.981 1.00 0.00 H new ATOM 2190 N VAL A 151 -4.030 -15.069 -5.728 1.00 0.00 N ATOM 2191 CA VAL A 151 -3.383 -16.113 -4.949 1.00 0.00 C ATOM 2192 C VAL A 151 -1.929 -16.295 -5.355 1.00 0.00 C ATOM 2193 O VAL A 151 -1.602 -16.421 -6.539 1.00 0.00 O ATOM 2194 CB VAL A 151 -4.104 -17.465 -5.100 1.00 0.00 C ATOM 2195 CG1 VAL A 151 -3.380 -18.576 -4.339 1.00 0.00 C ATOM 2196 CG2 VAL A 151 -5.559 -17.369 -4.653 1.00 0.00 C ATOM 0 H VAL A 151 -4.106 -15.289 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 151 -3.433 -15.790 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 151 -4.089 -17.721 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.917 -19.515 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.367 -18.681 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.339 -18.324 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -6.041 -18.339 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -5.599 -17.070 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -6.079 -16.629 -5.262 1.00 0.00 H new ATOM 2206 N PHE A 152 -1.091 -16.354 -4.339 1.00 0.00 N ATOM 2207 CA PHE A 152 0.343 -16.561 -4.484 1.00 0.00 C ATOM 2208 C PHE A 152 0.687 -18.039 -4.233 1.00 0.00 C ATOM 2209 O PHE A 152 0.867 -18.461 -3.084 1.00 0.00 O ATOM 2210 CB PHE A 152 1.087 -15.634 -3.494 1.00 0.00 C ATOM 2211 CG PHE A 152 2.580 -15.801 -3.490 1.00 0.00 C ATOM 2212 CD1 PHE A 152 3.360 -15.136 -4.408 1.00 0.00 C ATOM 2213 CD2 PHE A 152 3.188 -16.640 -2.577 1.00 0.00 C ATOM 2214 CE1 PHE A 152 4.731 -15.301 -4.422 1.00 0.00 C ATOM 2215 CE2 PHE A 152 4.559 -16.812 -2.579 1.00 0.00 C ATOM 2216 CZ PHE A 152 5.332 -16.141 -3.507 1.00 0.00 C ATOM 0 H PHE A 152 -1.390 -16.258 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 152 0.658 -16.314 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 152 0.850 -14.598 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 152 0.710 -15.820 -2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 152 2.894 -14.477 -5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 152 2.585 -17.168 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 152 5.332 -14.773 -5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 152 5.024 -17.468 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 152 6.404 -16.274 -3.516 1.00 0.00 H new ATOM 2226 N ASN A 153 0.802 -18.808 -5.333 1.00 0.00 N ATOM 2227 CA ASN A 153 1.142 -20.257 -5.312 1.00 0.00 C ATOM 2228 C ASN A 153 0.091 -21.131 -4.596 1.00 0.00 C ATOM 2229 O ASN A 153 -0.101 -22.293 -4.964 1.00 0.00 O ATOM 2230 CB ASN A 153 2.528 -20.496 -4.687 1.00 0.00 C ATOM 2231 CG ASN A 153 3.650 -20.341 -5.695 1.00 0.00 C ATOM 2232 OD1 ASN A 153 4.178 -21.327 -6.212 1.00 0.00 O ATOM 2233 ND2 ASN A 153 4.010 -19.100 -5.993 1.00 0.00 N ATOM 0 H ASN A 153 0.661 -18.443 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 153 1.153 -20.565 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 153 2.680 -19.794 -3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 153 2.563 -21.498 -4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 153 4.751 -18.933 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 153 3.546 -18.312 -5.541 1.00 0.00 H new ATOM 2240 N GLY A 154 -0.581 -20.558 -3.593 1.00 0.00 N ATOM 2241 CA GLY A 154 -1.581 -21.282 -2.825 1.00 0.00 C ATOM 2242 C GLY A 154 -1.121 -21.513 -1.400 1.00 0.00 C ATOM 2243 O GLY A 154 -0.920 -22.655 -0.982 1.00 0.00 O ATOM 0 H GLY A 154 -0.445 -19.591 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.516 -20.721 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.786 -22.240 -3.303 1.00 0.00 H new ATOM 2247 N THR A 155 -0.958 -20.409 -0.662 1.00 0.00 N ATOM 2248 CA THR A 155 -0.507 -20.426 0.708 1.00 0.00 C ATOM 2249 C THR A 155 -1.680 -20.396 1.685 1.00 0.00 C ATOM 2250 O THR A 155 -2.336 -19.364 1.868 1.00 0.00 O ATOM 2251 CB THR A 155 0.406 -19.217 0.971 1.00 0.00 C ATOM 2252 OG1 THR A 155 -0.172 -18.030 0.410 1.00 0.00 O ATOM 2253 CG2 THR A 155 1.791 -19.437 0.383 1.00 0.00 C ATOM 0 H THR A 155 -1.142 -19.471 -1.018 1.00 0.00 H new ATOM 0 HA THR A 155 0.045 -21.353 0.865 1.00 0.00 H new ATOM 0 HB THR A 155 0.504 -19.099 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 155 -0.583 -17.498 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 155 2.414 -18.566 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 155 2.243 -20.319 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 155 1.710 -19.584 -0.694 1.00 0.00 H new ATOM 2261 N THR A 156 -1.933 -21.550 2.287 1.00 0.00 N ATOM 2262 CA THR A 156 -3.005 -21.709 3.275 1.00 0.00 C ATOM 2263 C THR A 156 -2.463 -21.519 4.704 1.00 0.00 C ATOM 2264 O THR A 156 -1.498 -22.193 5.077 1.00 0.00 O ATOM 2265 CB THR A 156 -3.671 -23.100 3.180 1.00 0.00 C ATOM 2266 OG1 THR A 156 -2.670 -24.124 3.118 1.00 0.00 O ATOM 2267 CG2 THR A 156 -4.581 -23.194 1.961 1.00 0.00 C ATOM 0 H THR A 156 -1.405 -22.404 2.109 1.00 0.00 H new ATOM 0 HA THR A 156 -3.750 -20.945 3.055 1.00 0.00 H new ATOM 0 HB THR A 156 -4.279 -23.242 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.942 -23.908 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 156 -5.035 -24.184 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 156 -5.364 -22.439 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 156 -3.996 -23.027 1.057 1.00 0.00 H new ATOM 2275 N PRO A 157 -3.050 -20.594 5.533 1.00 0.00 N ATOM 2276 CA PRO A 157 -2.588 -20.365 6.905 1.00 0.00 C ATOM 2277 C PRO A 157 -3.142 -21.376 7.906 1.00 0.00 C ATOM 2278 O PRO A 157 -2.420 -21.868 8.780 1.00 0.00 O ATOM 2279 CB PRO A 157 -3.089 -18.949 7.248 1.00 0.00 C ATOM 2280 CG PRO A 157 -3.938 -18.502 6.097 1.00 0.00 C ATOM 2281 CD PRO A 157 -4.175 -19.699 5.215 1.00 0.00 C ATOM 0 HA PRO A 157 -1.505 -20.474 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 157 -3.665 -18.956 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 157 -2.251 -18.268 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 157 -4.884 -18.096 6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 157 -3.441 -17.708 5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 157 -5.134 -20.170 5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 157 -4.183 -19.424 4.160 1.00 0.00 H new ATOM 2289 N THR A 158 -4.426 -21.674 7.749 1.00 0.00 N ATOM 2290 CA THR A 158 -5.148 -22.607 8.608 1.00 0.00 C ATOM 2291 C THR A 158 -6.418 -23.090 7.910 1.00 0.00 C ATOM 2292 O THR A 158 -6.572 -24.277 7.609 1.00 0.00 O ATOM 2293 CB THR A 158 -5.480 -21.979 10.008 1.00 0.00 C ATOM 2294 OG1 THR A 158 -6.203 -22.911 10.823 1.00 0.00 O ATOM 2295 CG2 THR A 158 -6.261 -20.659 9.927 1.00 0.00 C ATOM 0 H THR A 158 -5.004 -21.270 7.012 1.00 0.00 H new ATOM 0 HA THR A 158 -4.499 -23.463 8.790 1.00 0.00 H new ATOM 0 HB THR A 158 -4.515 -21.750 10.461 1.00 0.00 H new ATOM 0 HG1 THR A 158 -6.399 -22.502 11.692 1.00 0.00 H new ATOM 0 HG21 THR A 158 -6.453 -20.287 10.934 1.00 0.00 H new ATOM 0 HG22 THR A 158 -5.677 -19.924 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 158 -7.209 -20.828 9.416 1.00 0.00 H new ATOM 2303 N GLU A 159 -7.310 -22.135 7.672 1.00 0.00 N ATOM 2304 CA GLU A 159 -8.586 -22.376 7.002 1.00 0.00 C ATOM 2305 C GLU A 159 -8.411 -22.543 5.489 1.00 0.00 C ATOM 2306 O GLU A 159 -7.902 -21.602 4.839 1.00 0.00 O ATOM 2307 CB GLU A 159 -9.572 -21.239 7.295 1.00 0.00 C ATOM 2308 CG GLU A 159 -10.246 -21.347 8.654 1.00 0.00 C ATOM 2309 CD GLU A 159 -11.193 -20.193 8.922 1.00 0.00 C ATOM 2310 OE1 GLU A 159 -12.406 -20.351 8.673 1.00 0.00 O ATOM 2311 OE2 GLU A 159 -10.719 -19.132 9.378 1.00 0.00 O ATOM 2312 OXT GLU A 159 -8.786 -23.613 4.966 1.00 0.00 O ATOM 0 H GLU A 159 -7.168 -21.161 7.941 1.00 0.00 H new ATOM 0 HA GLU A 159 -8.989 -23.309 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -9.043 -20.288 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -10.338 -21.226 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -10.797 -22.286 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -9.484 -21.377 9.433 1.00 0.00 H new TER 2319 GLU A 159 HETATM 2320 ZN ZN A 201 6.569 -0.908 7.510 1.00 0.00 ZN HETATM 2321 O UNL A 202 8.354 0.027 7.872 1.00 0.00 O