USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 MET CE :methyl -112:sc= -0.323 (180deg=-3.71!) USER MOD Set 1.2: A 139 CYS SG : rot -101:sc= 0.112 USER MOD Set 2.1: A 75 THR OG1 : rot 96:sc= -0.226! USER MOD Set 2.2: A 77 CYS SG : rot 35:sc= 2.19 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 34 GLN : amide:sc= -1.97! C(o=-2!,f=-5.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -104:sc= 1.25 (180deg=-0.353) USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= 0.654 (180deg=0.037) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0633! C(o=0.063!,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 75:sc= 2.1 USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 58 ASN : amide:sc= -5.59! C(o=-5.6!,f=-11!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 67 ASN :FLIP amide:sc= -3.36! C(o=-7.7!,f=-3.4!) USER MOD Single : A 69 SER OG : rot -93:sc= 1.29 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc=-0.00408 F(o=-1.5!,f=-0.0041) USER MOD Single : A 86 THR OG1 : rot 77:sc= 1.46 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0253 (180deg=-0.276) USER MOD Single : A 99 TYR OH : rot -7:sc= 1.27 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 105 SER OG : rot 70:sc= 1.15 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.305 F(o=-2.6!,f=-0.31) USER MOD Single : A 111 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00194) USER MOD Single : A 119 TYR OH : rot -150:sc= 0.468 USER MOD Single : A 121 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 124 LYS NZ :NH3+ 173:sc= 0.899 (180deg=0.858) USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= 0.689 (180deg=0.289) USER MOD Single : A 128 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.57) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -140:sc= -0.0783 (180deg=-0.489) USER MOD Single : A 135 LYS NZ :NH3+ 169:sc= 0.321 (180deg=0.144) USER MOD Single : A 136 TYR OH : rot 22:sc= 0.441 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 141 LYS NZ :NH3+ 160:sc= -0.0769 (180deg=-0.71!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.281 K(o=-0.28,f=-4!) USER MOD Single : A 146 LYS NZ :NH3+ 167:sc= -0.0374 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -16.105 -14.158 5.853 1.00 0.78 N ATOM 28 CA PRO A 19 -16.178 -12.980 5.014 1.00 0.70 C ATOM 29 C PRO A 19 -17.623 -12.582 4.820 1.00 0.65 C ATOM 30 O PRO A 19 -18.471 -13.442 4.548 1.00 0.70 O ATOM 31 CB PRO A 19 -15.588 -13.410 3.670 1.00 0.71 C ATOM 32 CG PRO A 19 -15.234 -14.861 3.810 1.00 0.75 C ATOM 33 CD PRO A 19 -15.222 -15.181 5.283 1.00 0.84 C ATOM 0 HA PRO A 19 -15.648 -12.133 5.450 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -16.307 -13.261 2.864 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -14.707 -12.817 3.425 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -15.959 -15.485 3.287 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -14.260 -15.063 3.365 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -15.591 -16.187 5.480 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -14.217 -15.123 5.700 1.00 0.84 H new ATOM 41 N PRO A 20 -17.942 -11.300 5.003 1.00 0.58 N ATOM 42 CA PRO A 20 -19.276 -10.794 4.746 1.00 0.54 C ATOM 43 C PRO A 20 -19.745 -11.220 3.376 1.00 0.55 C ATOM 44 O PRO A 20 -18.950 -11.603 2.516 1.00 0.58 O ATOM 45 CB PRO A 20 -19.115 -9.283 4.834 1.00 0.49 C ATOM 46 CG PRO A 20 -17.955 -9.098 5.750 1.00 0.50 C ATOM 47 CD PRO A 20 -17.032 -10.254 5.479 1.00 0.56 C ATOM 0 HA PRO A 20 -20.021 -11.171 5.447 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -18.924 -8.844 3.855 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.014 -8.808 5.227 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.456 -8.147 5.563 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.276 -9.090 6.792 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.280 -10.003 4.731 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -16.498 -10.563 6.377 1.00 0.56 H new ATOM 55 N ALA A 21 -21.023 -11.170 3.175 1.00 0.56 N ATOM 56 CA ALA A 21 -21.593 -11.741 1.987 1.00 0.63 C ATOM 57 C ALA A 21 -21.320 -10.889 0.746 1.00 0.60 C ATOM 58 O ALA A 21 -20.679 -9.844 0.815 1.00 0.60 O ATOM 59 CB ALA A 21 -23.076 -11.960 2.207 1.00 0.72 C ATOM 0 H ALA A 21 -21.694 -10.742 3.813 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.115 -12.702 1.796 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.517 -12.394 1.309 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.223 -12.638 3.047 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.557 -11.006 2.423 1.00 0.72 H new ATOM 65 N ASP A 22 -21.860 -11.378 -0.358 1.00 0.64 N ATOM 66 CA ASP A 22 -21.796 -10.775 -1.696 1.00 0.70 C ATOM 67 C ASP A 22 -21.923 -9.253 -1.661 1.00 0.67 C ATOM 68 O ASP A 22 -20.914 -8.581 -1.496 1.00 1.01 O ATOM 69 CB ASP A 22 -22.873 -11.394 -2.596 1.00 1.01 C ATOM 70 CG ASP A 22 -22.789 -10.932 -4.041 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.982 -11.498 -4.804 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.545 -10.019 -4.426 1.00 2.34 O ATOM 0 H ASP A 22 -22.385 -12.253 -0.354 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.811 -10.992 -2.109 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -22.783 -12.480 -2.563 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -23.857 -11.143 -2.199 1.00 1.01 H new ATOM 77 N GLY A 23 -23.104 -8.730 -2.002 1.00 0.72 N ATOM 78 CA GLY A 23 -23.366 -7.288 -1.988 1.00 0.69 C ATOM 79 C GLY A 23 -22.464 -6.481 -1.057 1.00 0.61 C ATOM 80 O GLY A 23 -21.903 -5.478 -1.477 1.00 0.60 O ATOM 0 H GLY A 23 -23.903 -9.292 -2.295 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.255 -6.903 -3.002 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.404 -7.125 -1.697 1.00 0.69 H new ATOM 84 N ALA A 24 -22.306 -6.925 0.190 1.00 0.59 N ATOM 85 CA ALA A 24 -21.419 -6.253 1.145 1.00 0.55 C ATOM 86 C ALA A 24 -19.966 -6.245 0.654 1.00 0.48 C ATOM 87 O ALA A 24 -19.341 -5.187 0.543 1.00 0.44 O ATOM 88 CB ALA A 24 -21.504 -6.933 2.509 1.00 0.56 C ATOM 0 H ALA A 24 -22.780 -7.747 0.564 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.749 -5.218 1.235 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -20.841 -6.426 3.210 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.529 -6.883 2.877 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.203 -7.976 2.415 1.00 0.56 H new ATOM 94 N LEU A 25 -19.448 -7.431 0.362 1.00 0.49 N ATOM 95 CA LEU A 25 -18.078 -7.607 -0.118 1.00 0.48 C ATOM 96 C LEU A 25 -17.811 -6.802 -1.375 1.00 0.51 C ATOM 97 O LEU A 25 -16.858 -6.024 -1.438 1.00 0.53 O ATOM 98 CB LEU A 25 -17.805 -9.088 -0.409 1.00 0.47 C ATOM 99 CG LEU A 25 -17.310 -9.911 0.774 1.00 0.48 C ATOM 100 CD1 LEU A 25 -15.967 -10.548 0.458 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.207 -9.050 2.014 1.00 0.49 C ATOM 0 H LEU A 25 -19.967 -8.305 0.451 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.414 -7.249 0.669 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.722 -9.541 -0.785 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.066 -9.153 -1.208 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.032 -10.705 0.964 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -15.630 -11.131 1.315 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.069 -11.202 -0.408 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.237 -9.769 0.240 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -16.852 -9.655 2.848 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.507 -8.234 1.833 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.188 -8.640 2.255 1.00 0.49 H new ATOM 113 N LYS A 26 -18.658 -6.986 -2.371 1.00 0.55 N ATOM 114 CA LYS A 26 -18.450 -6.348 -3.656 1.00 0.59 C ATOM 115 C LYS A 26 -18.688 -4.850 -3.554 1.00 0.52 C ATOM 116 O LYS A 26 -18.122 -4.081 -4.313 1.00 0.53 O ATOM 117 CB LYS A 26 -19.367 -6.947 -4.711 1.00 0.68 C ATOM 118 CG LYS A 26 -20.803 -6.491 -4.578 1.00 0.73 C ATOM 119 CD LYS A 26 -21.692 -7.246 -5.534 1.00 0.82 C ATOM 120 CE LYS A 26 -23.101 -6.687 -5.572 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.877 -7.265 -6.698 1.00 1.53 N ATOM 0 H LYS A 26 -19.493 -7.570 -2.315 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.416 -6.521 -3.954 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -18.997 -6.678 -5.700 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.329 -8.034 -4.641 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.146 -6.646 -3.555 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.870 -5.422 -4.778 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.261 -7.208 -6.535 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -21.728 -8.296 -5.242 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.606 -6.902 -4.630 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.062 -5.602 -5.672 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.837 -6.865 -6.700 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -23.406 -7.038 -7.597 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.933 -8.298 -6.587 1.00 1.53 H new ATOM 135 N ARG A 27 -19.526 -4.436 -2.611 1.00 0.49 N ATOM 136 CA ARG A 27 -19.757 -3.021 -2.394 1.00 0.45 C ATOM 137 C ARG A 27 -18.522 -2.393 -1.796 1.00 0.39 C ATOM 138 O ARG A 27 -18.193 -1.245 -2.084 1.00 0.37 O ATOM 139 CB ARG A 27 -20.949 -2.783 -1.476 1.00 0.49 C ATOM 140 CG ARG A 27 -21.226 -1.312 -1.241 1.00 0.45 C ATOM 141 CD ARG A 27 -21.313 -0.577 -2.559 1.00 0.51 C ATOM 142 NE ARG A 27 -21.634 0.841 -2.403 1.00 1.11 N ATOM 143 CZ ARG A 27 -21.867 1.665 -3.428 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.877 1.200 -4.670 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.107 2.951 -3.209 1.00 2.11 N ATOM 0 H ARG A 27 -20.050 -5.055 -1.993 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.979 -2.563 -3.358 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.834 -3.250 -1.909 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.767 -3.271 -0.518 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.159 -1.194 -0.689 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.436 -0.880 -0.627 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.363 -0.673 -3.085 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -22.072 -1.049 -3.182 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.683 1.222 -1.458 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.706 0.210 -4.845 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.055 1.833 -5.450 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -22.114 3.313 -2.256 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -22.285 3.578 -3.994 1.00 2.11 H new ATOM 159 N ALA A 28 -17.839 -3.151 -0.964 1.00 0.39 N ATOM 160 CA ALA A 28 -16.578 -2.701 -0.428 1.00 0.37 C ATOM 161 C ALA A 28 -15.590 -2.536 -1.571 1.00 0.37 C ATOM 162 O ALA A 28 -14.761 -1.627 -1.582 1.00 0.36 O ATOM 163 CB ALA A 28 -16.055 -3.690 0.605 1.00 0.42 C ATOM 0 H ALA A 28 -18.135 -4.074 -0.648 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.712 -1.742 0.073 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.103 -3.335 0.999 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.774 -3.780 1.419 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.913 -4.664 0.137 1.00 0.42 H new ATOM 169 N GLU A 29 -15.725 -3.414 -2.550 1.00 0.43 N ATOM 170 CA GLU A 29 -14.920 -3.359 -3.751 1.00 0.47 C ATOM 171 C GLU A 29 -15.359 -2.180 -4.619 1.00 0.45 C ATOM 172 O GLU A 29 -14.552 -1.580 -5.332 1.00 0.48 O ATOM 173 CB GLU A 29 -15.052 -4.671 -4.520 1.00 0.55 C ATOM 174 CG GLU A 29 -13.909 -4.907 -5.487 1.00 0.84 C ATOM 175 CD GLU A 29 -13.908 -6.305 -6.056 1.00 1.52 C ATOM 176 OE1 GLU A 29 -14.871 -6.652 -6.773 1.00 2.41 O ATOM 177 OE2 GLU A 29 -12.958 -7.069 -5.783 1.00 1.83 O ATOM 0 H GLU A 29 -16.395 -4.183 -2.532 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.874 -3.217 -3.479 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.098 -5.498 -3.812 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.993 -4.670 -5.071 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.974 -4.187 -6.303 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -12.963 -4.726 -4.977 1.00 0.84 H new ATOM 184 N GLU A 30 -16.644 -1.846 -4.544 1.00 0.43 N ATOM 185 CA GLU A 30 -17.184 -0.707 -5.270 1.00 0.44 C ATOM 186 C GLU A 30 -16.684 0.570 -4.665 1.00 0.41 C ATOM 187 O GLU A 30 -16.384 1.502 -5.374 1.00 0.48 O ATOM 188 CB GLU A 30 -18.709 -0.704 -5.263 1.00 0.47 C ATOM 189 CG GLU A 30 -19.295 -1.822 -6.070 1.00 0.64 C ATOM 190 CD GLU A 30 -19.012 -1.706 -7.557 1.00 1.23 C ATOM 191 OE1 GLU A 30 -17.848 -1.886 -7.967 1.00 1.72 O ATOM 192 OE2 GLU A 30 -19.958 -1.424 -8.320 1.00 1.52 O ATOM 0 H GLU A 30 -17.331 -2.352 -3.985 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.848 -0.788 -6.304 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -19.063 -0.779 -4.235 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -19.068 0.248 -5.655 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -18.899 -2.770 -5.705 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.373 -1.846 -5.914 1.00 0.64 H new ATOM 199 N LEU A 31 -16.592 0.603 -3.350 1.00 0.36 N ATOM 200 CA LEU A 31 -16.054 1.759 -2.662 1.00 0.36 C ATOM 201 C LEU A 31 -14.580 1.926 -2.994 1.00 0.37 C ATOM 202 O LEU A 31 -14.082 3.040 -3.063 1.00 0.41 O ATOM 203 CB LEU A 31 -16.258 1.629 -1.160 1.00 0.35 C ATOM 204 CG LEU A 31 -17.715 1.542 -0.719 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.797 1.261 0.767 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.463 2.820 -1.038 1.00 0.42 C ATOM 0 H LEU A 31 -16.883 -0.158 -2.737 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.587 2.648 -3.000 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.734 0.739 -0.812 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.795 2.485 -0.669 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.181 0.724 -1.269 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.843 1.201 1.069 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.301 0.315 0.986 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.306 2.064 1.317 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.499 2.727 -0.711 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.993 3.656 -0.520 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.436 2.999 -2.113 1.00 0.42 H new ATOM 218 N LYS A 32 -13.892 0.810 -3.221 1.00 0.37 N ATOM 219 CA LYS A 32 -12.515 0.846 -3.682 1.00 0.41 C ATOM 220 C LYS A 32 -12.472 1.399 -5.103 1.00 0.43 C ATOM 221 O LYS A 32 -11.545 2.108 -5.486 1.00 0.47 O ATOM 222 CB LYS A 32 -11.908 -0.558 -3.656 1.00 0.44 C ATOM 223 CG LYS A 32 -10.413 -0.568 -3.904 1.00 0.76 C ATOM 224 CD LYS A 32 -9.876 -1.974 -4.111 1.00 0.70 C ATOM 225 CE LYS A 32 -9.543 -2.222 -5.571 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.574 -3.342 -5.738 1.00 1.15 N ATOM 0 H LYS A 32 -14.269 -0.129 -3.092 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.935 1.489 -3.020 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.112 -1.017 -2.689 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.399 -1.173 -4.410 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -10.188 0.038 -4.781 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.903 -0.107 -3.058 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.984 -2.119 -3.502 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.614 -2.702 -3.774 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.458 -2.449 -6.118 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.127 -1.314 -6.008 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.373 -3.479 -6.749 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.691 -3.115 -5.237 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.981 -4.215 -5.344 1.00 1.15 H new ATOM 240 N THR A 33 -13.505 1.075 -5.867 1.00 0.43 N ATOM 241 CA THR A 33 -13.630 1.530 -7.241 1.00 0.47 C ATOM 242 C THR A 33 -13.986 3.015 -7.268 1.00 0.47 C ATOM 243 O THR A 33 -13.391 3.796 -8.008 1.00 0.52 O ATOM 244 CB THR A 33 -14.704 0.708 -7.987 1.00 0.49 C ATOM 245 OG1 THR A 33 -14.361 -0.686 -7.949 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.839 1.154 -9.434 1.00 0.57 C ATOM 0 H THR A 33 -14.278 0.490 -5.551 1.00 0.43 H new ATOM 0 HA THR A 33 -12.675 1.386 -7.746 1.00 0.47 H new ATOM 0 HB THR A 33 -15.659 0.872 -7.487 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.454 -1.021 -7.033 1.00 0.50 H new ATOM 0 HG21 THR A 33 -15.603 0.555 -9.930 1.00 0.57 H new ATOM 0 HG22 THR A 33 -15.125 2.205 -9.466 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.886 1.022 -9.946 1.00 0.57 H new ATOM 254 N GLN A 34 -14.961 3.393 -6.451 1.00 0.44 N ATOM 255 CA GLN A 34 -15.321 4.798 -6.276 1.00 0.46 C ATOM 256 C GLN A 34 -14.144 5.600 -5.745 1.00 0.46 C ATOM 257 O GLN A 34 -13.899 6.718 -6.179 1.00 0.51 O ATOM 258 CB GLN A 34 -16.501 4.944 -5.318 1.00 0.48 C ATOM 259 CG GLN A 34 -17.687 4.103 -5.716 1.00 0.50 C ATOM 260 CD GLN A 34 -18.938 4.417 -4.925 1.00 0.75 C ATOM 261 OE1 GLN A 34 -19.175 3.844 -3.866 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.755 5.319 -5.440 1.00 1.31 N ATOM 0 H GLN A 34 -15.520 2.745 -5.896 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.604 5.185 -7.255 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.184 4.664 -4.314 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.802 5.991 -5.277 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.889 4.252 -6.777 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.437 3.050 -5.584 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.522 5.773 -6.323 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.619 5.561 -4.954 1.00 1.31 H new ATOM 271 N ALA A 35 -13.414 5.025 -4.805 1.00 0.43 N ATOM 272 CA ALA A 35 -12.249 5.683 -4.246 1.00 0.44 C ATOM 273 C ALA A 35 -11.124 5.748 -5.271 1.00 0.48 C ATOM 274 O ALA A 35 -10.294 6.646 -5.225 1.00 0.50 O ATOM 275 CB ALA A 35 -11.802 4.984 -2.982 1.00 0.42 C ATOM 0 H ALA A 35 -13.609 4.103 -4.414 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.519 6.706 -3.985 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.927 5.491 -2.576 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.608 5.008 -2.249 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.549 3.948 -3.209 1.00 0.42 H new ATOM 281 N ASN A 36 -11.111 4.797 -6.198 1.00 0.53 N ATOM 282 CA ASN A 36 -10.215 4.863 -7.350 1.00 0.61 C ATOM 283 C ASN A 36 -10.601 6.053 -8.218 1.00 0.63 C ATOM 284 O ASN A 36 -9.748 6.738 -8.785 1.00 0.67 O ATOM 285 CB ASN A 36 -10.301 3.572 -8.171 1.00 0.69 C ATOM 286 CG ASN A 36 -9.537 3.645 -9.483 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.448 4.213 -9.563 1.00 1.88 O ATOM 288 ND2 ASN A 36 -10.124 3.087 -10.530 1.00 2.01 N ATOM 0 H ASN A 36 -11.709 3.971 -6.176 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.190 4.981 -6.998 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.912 2.745 -7.577 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.348 3.351 -8.379 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -9.673 3.119 -11.444 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -11.027 2.625 -10.422 1.00 2.01 H new ATOM 295 N ASP A 37 -11.902 6.301 -8.293 1.00 0.63 N ATOM 296 CA ASP A 37 -12.434 7.448 -9.013 1.00 0.68 C ATOM 297 C ASP A 37 -11.952 8.723 -8.355 1.00 0.65 C ATOM 298 O ASP A 37 -11.576 9.675 -9.029 1.00 0.68 O ATOM 299 CB ASP A 37 -13.965 7.410 -9.027 1.00 0.73 C ATOM 300 CG ASP A 37 -14.561 8.633 -9.688 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.282 8.859 -10.884 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.310 9.367 -9.011 1.00 1.04 O ATOM 0 H ASP A 37 -12.615 5.715 -7.858 1.00 0.63 H new ATOM 0 HA ASP A 37 -12.081 7.415 -10.044 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.300 6.516 -9.553 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.334 7.336 -8.004 1.00 0.73 H new ATOM 307 N TYR A 38 -11.942 8.720 -7.034 1.00 0.60 N ATOM 308 CA TYR A 38 -11.444 9.851 -6.273 1.00 0.58 C ATOM 309 C TYR A 38 -9.923 9.944 -6.369 1.00 0.57 C ATOM 310 O TYR A 38 -9.365 11.037 -6.424 1.00 0.57 O ATOM 311 CB TYR A 38 -11.899 9.748 -4.818 1.00 0.54 C ATOM 312 CG TYR A 38 -13.363 10.076 -4.632 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.789 11.395 -4.559 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.321 9.074 -4.543 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.124 11.706 -4.400 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.659 9.377 -4.388 1.00 0.67 C ATOM 317 CZ TYR A 38 -16.055 10.694 -4.316 1.00 0.65 C ATOM 318 OH TYR A 38 -17.387 11.001 -4.167 1.00 0.71 O ATOM 0 H TYR A 38 -12.275 7.942 -6.464 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.857 10.766 -6.698 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.710 8.738 -4.455 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.300 10.424 -4.207 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.063 12.192 -4.628 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -14.014 8.040 -4.596 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.437 12.738 -4.342 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.391 8.586 -4.324 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.911 10.174 -4.125 1.00 0.71 H new ATOM 328 N PHE A 39 -9.260 8.797 -6.418 1.00 0.57 N ATOM 329 CA PHE A 39 -7.820 8.746 -6.584 1.00 0.57 C ATOM 330 C PHE A 39 -7.413 9.448 -7.876 1.00 0.63 C ATOM 331 O PHE A 39 -6.523 10.300 -7.877 1.00 0.67 O ATOM 332 CB PHE A 39 -7.354 7.285 -6.586 1.00 0.58 C ATOM 333 CG PHE A 39 -5.887 7.109 -6.841 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.976 7.157 -5.801 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.420 6.900 -8.127 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.629 6.999 -6.039 1.00 0.59 C ATOM 337 CE2 PHE A 39 -4.075 6.740 -8.370 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.174 6.790 -7.326 1.00 0.65 C ATOM 0 H PHE A 39 -9.705 7.882 -6.344 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.342 9.264 -5.753 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.601 6.835 -5.624 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.912 6.738 -7.346 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.325 7.320 -4.792 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -6.119 6.862 -8.949 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.928 7.039 -5.219 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -3.724 6.575 -9.378 1.00 0.73 H new ATOM 0 HZ PHE A 39 -2.118 6.666 -7.515 1.00 0.65 H new ATOM 348 N LYS A 40 -8.092 9.111 -8.968 1.00 0.66 N ATOM 349 CA LYS A 40 -7.817 9.741 -10.251 1.00 0.74 C ATOM 350 C LYS A 40 -8.472 11.117 -10.333 1.00 0.73 C ATOM 351 O LYS A 40 -8.192 11.893 -11.243 1.00 0.79 O ATOM 352 CB LYS A 40 -8.268 8.845 -11.414 1.00 0.82 C ATOM 353 CG LYS A 40 -9.751 8.499 -11.416 1.00 1.18 C ATOM 354 CD LYS A 40 -10.071 7.497 -12.512 1.00 1.09 C ATOM 355 CE LYS A 40 -11.534 7.073 -12.503 1.00 1.56 C ATOM 356 NZ LYS A 40 -12.455 8.192 -12.837 1.00 2.26 N ATOM 0 H LYS A 40 -8.832 8.409 -8.989 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.739 9.877 -10.334 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.024 9.342 -12.353 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.693 7.919 -11.385 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.034 8.087 -10.447 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -10.340 9.405 -11.562 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.828 7.933 -13.481 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -9.440 6.617 -12.391 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -11.678 6.263 -13.218 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -11.788 6.679 -11.519 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -12.915 8.534 -11.969 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -11.915 8.968 -13.271 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -13.179 7.858 -13.505 1.00 2.26 H new ATOM 370 N ALA A 41 -9.339 11.415 -9.370 1.00 0.68 N ATOM 371 CA ALA A 41 -9.940 12.739 -9.263 1.00 0.70 C ATOM 372 C ALA A 41 -9.071 13.643 -8.395 1.00 0.71 C ATOM 373 O ALA A 41 -9.379 14.820 -8.203 1.00 0.78 O ATOM 374 CB ALA A 41 -11.344 12.661 -8.686 1.00 0.68 C ATOM 0 H ALA A 41 -9.641 10.756 -8.652 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.007 13.159 -10.266 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.766 13.664 -8.618 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.970 12.047 -9.333 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.305 12.216 -7.692 1.00 0.68 H new ATOM 380 N LYS A 42 -7.996 13.056 -7.852 1.00 0.68 N ATOM 381 CA LYS A 42 -7.012 13.775 -7.036 1.00 0.70 C ATOM 382 C LYS A 42 -7.572 14.083 -5.650 1.00 0.66 C ATOM 383 O LYS A 42 -7.058 14.946 -4.937 1.00 0.70 O ATOM 384 CB LYS A 42 -6.536 15.069 -7.717 1.00 0.82 C ATOM 385 CG LYS A 42 -5.549 14.865 -8.867 1.00 0.96 C ATOM 386 CD LYS A 42 -6.201 14.209 -10.072 1.00 1.41 C ATOM 387 CE LYS A 42 -5.239 14.093 -11.240 1.00 1.57 C ATOM 388 NZ LYS A 42 -5.850 13.362 -12.382 1.00 2.30 N ATOM 0 H LYS A 42 -7.785 12.065 -7.968 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.148 13.119 -6.928 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.407 15.605 -8.095 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -6.070 15.707 -6.966 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -5.132 15.828 -9.161 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -4.718 14.249 -8.525 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -6.559 13.217 -9.796 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -7.072 14.790 -10.375 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.938 15.089 -11.564 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -4.335 13.576 -10.918 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -5.163 12.682 -12.767 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -6.696 12.852 -12.055 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -6.119 14.039 -13.124 1.00 2.30 H new ATOM 402 N ASP A 43 -8.614 13.357 -5.266 1.00 0.61 N ATOM 403 CA ASP A 43 -9.203 13.509 -3.945 1.00 0.58 C ATOM 404 C ASP A 43 -8.909 12.271 -3.109 1.00 0.52 C ATOM 405 O ASP A 43 -9.691 11.316 -3.076 1.00 0.54 O ATOM 406 CB ASP A 43 -10.710 13.733 -4.033 1.00 0.61 C ATOM 407 CG ASP A 43 -11.273 14.283 -2.738 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.250 13.567 -1.717 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.737 15.442 -2.736 1.00 0.73 O ATOM 0 H ASP A 43 -9.068 12.657 -5.852 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.760 14.385 -3.471 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.928 14.424 -4.847 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.204 12.792 -4.274 1.00 0.61 H new ATOM 414 N TYR A 44 -7.767 12.284 -2.450 1.00 0.48 N ATOM 415 CA TYR A 44 -7.299 11.121 -1.723 1.00 0.45 C ATOM 416 C TYR A 44 -7.926 11.047 -0.341 1.00 0.44 C ATOM 417 O TYR A 44 -7.804 10.039 0.346 1.00 0.43 O ATOM 418 CB TYR A 44 -5.775 11.151 -1.641 1.00 0.45 C ATOM 419 CG TYR A 44 -5.131 11.343 -2.998 1.00 0.48 C ATOM 420 CD1 TYR A 44 -5.045 10.293 -3.901 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.630 12.579 -3.382 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.475 10.468 -5.146 1.00 0.57 C ATOM 423 CE2 TYR A 44 -4.056 12.761 -4.627 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.983 11.703 -5.505 1.00 0.64 C ATOM 425 OH TYR A 44 -3.419 11.879 -6.747 1.00 0.75 O ATOM 0 H TYR A 44 -7.144 13.090 -2.403 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.604 10.222 -2.259 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.465 11.957 -0.977 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.418 10.220 -1.200 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.430 9.323 -3.625 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.689 13.412 -2.697 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.415 9.639 -5.836 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.667 13.728 -4.909 1.00 0.65 H new ATOM 0 HH TYR A 44 -3.122 12.808 -6.843 1.00 0.75 H new ATOM 435 N GLU A 45 -8.626 12.102 0.047 1.00 0.48 N ATOM 436 CA GLU A 45 -9.283 12.142 1.344 1.00 0.50 C ATOM 437 C GLU A 45 -10.586 11.406 1.306 1.00 0.46 C ATOM 438 O GLU A 45 -10.862 10.569 2.168 1.00 0.43 O ATOM 439 CB GLU A 45 -9.507 13.571 1.779 1.00 0.61 C ATOM 440 CG GLU A 45 -8.200 14.256 1.979 1.00 0.76 C ATOM 441 CD GLU A 45 -8.328 15.706 2.375 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.479 15.984 3.583 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.301 16.575 1.480 1.00 1.17 O ATOM 0 H GLU A 45 -8.754 12.942 -0.518 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.631 11.651 2.067 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.093 14.101 1.027 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.083 13.592 2.704 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.637 13.727 2.748 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.621 14.190 1.058 1.00 0.76 H new ATOM 450 N ASN A 46 -11.396 11.701 0.310 1.00 0.48 N ATOM 451 CA ASN A 46 -12.622 10.986 0.170 1.00 0.48 C ATOM 452 C ASN A 46 -12.308 9.542 -0.170 1.00 0.43 C ATOM 453 O ASN A 46 -13.012 8.626 0.248 1.00 0.43 O ATOM 454 CB ASN A 46 -13.545 11.605 -0.885 1.00 0.53 C ATOM 455 CG ASN A 46 -14.260 12.848 -0.389 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.357 12.769 0.165 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.654 14.002 -0.596 1.00 0.63 N ATOM 0 H ASN A 46 -11.223 12.418 -0.395 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.161 11.041 1.116 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.960 11.857 -1.769 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.284 10.865 -1.192 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.094 14.871 -0.293 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.745 14.025 -1.059 1.00 0.63 H new ATOM 464 N ALA A 47 -11.218 9.347 -0.912 1.00 0.41 N ATOM 465 CA ALA A 47 -10.703 8.012 -1.178 1.00 0.38 C ATOM 466 C ALA A 47 -10.419 7.282 0.135 1.00 0.34 C ATOM 467 O ALA A 47 -10.898 6.168 0.343 1.00 0.32 O ATOM 468 CB ALA A 47 -9.451 8.086 -2.041 1.00 0.40 C ATOM 0 H ALA A 47 -10.677 10.100 -1.338 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.458 7.448 -1.726 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.079 7.079 -2.230 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.690 8.568 -2.989 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.686 8.664 -1.523 1.00 0.40 H new ATOM 474 N ILE A 48 -9.657 7.932 1.023 1.00 0.34 N ATOM 475 CA ILE A 48 -9.372 7.400 2.362 1.00 0.32 C ATOM 476 C ILE A 48 -10.656 6.951 3.052 1.00 0.29 C ATOM 477 O ILE A 48 -10.730 5.856 3.618 1.00 0.28 O ATOM 478 CB ILE A 48 -8.656 8.458 3.242 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.182 8.564 2.851 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.789 8.140 4.725 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.413 9.599 3.640 1.00 0.42 C ATOM 0 H ILE A 48 -9.223 8.836 0.836 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.714 6.540 2.238 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.141 9.418 3.066 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.709 7.592 2.988 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.114 8.805 1.790 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.275 8.904 5.308 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.844 8.122 5.000 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.344 7.166 4.930 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.376 9.615 3.305 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -6.860 10.581 3.484 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.448 9.348 4.700 1.00 0.42 H new ATOM 493 N LYS A 49 -11.662 7.805 2.990 1.00 0.31 N ATOM 494 CA LYS A 49 -12.965 7.512 3.560 1.00 0.32 C ATOM 495 C LYS A 49 -13.591 6.282 2.920 1.00 0.27 C ATOM 496 O LYS A 49 -13.982 5.348 3.611 1.00 0.27 O ATOM 497 CB LYS A 49 -13.895 8.697 3.367 1.00 0.39 C ATOM 498 CG LYS A 49 -15.364 8.352 3.549 1.00 0.44 C ATOM 499 CD LYS A 49 -16.218 9.055 2.508 1.00 0.63 C ATOM 500 CE LYS A 49 -15.841 10.513 2.354 1.00 1.02 C ATOM 501 NZ LYS A 49 -16.039 11.294 3.607 1.00 1.50 N ATOM 0 H LYS A 49 -11.599 8.720 2.544 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.822 7.316 4.623 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.624 9.480 4.075 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.747 9.105 2.367 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.501 7.274 3.470 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.689 8.642 4.548 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -16.109 8.549 1.549 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -17.268 8.980 2.790 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -14.797 10.584 2.048 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.438 10.956 1.557 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -15.766 12.284 3.446 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.040 11.252 3.888 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -15.450 10.891 4.364 1.00 1.50 H new ATOM 515 N PHE A 50 -13.690 6.290 1.598 1.00 0.27 N ATOM 516 CA PHE A 50 -14.349 5.212 0.880 1.00 0.27 C ATOM 517 C PHE A 50 -13.607 3.888 1.054 1.00 0.23 C ATOM 518 O PHE A 50 -14.223 2.824 1.042 1.00 0.25 O ATOM 519 CB PHE A 50 -14.522 5.573 -0.596 1.00 0.35 C ATOM 520 CG PHE A 50 -15.693 6.484 -0.853 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.966 5.962 -1.009 1.00 0.56 C ATOM 522 CD2 PHE A 50 -15.526 7.857 -0.933 1.00 0.71 C ATOM 523 CE1 PHE A 50 -18.048 6.788 -1.243 1.00 0.65 C ATOM 524 CE2 PHE A 50 -16.605 8.689 -1.167 1.00 0.81 C ATOM 525 CZ PHE A 50 -17.868 8.156 -1.321 1.00 0.66 C ATOM 0 H PHE A 50 -13.322 7.032 1.002 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.342 5.078 1.309 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.611 6.053 -0.955 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.649 4.658 -1.174 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -17.115 4.894 -0.947 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -14.541 8.283 -0.811 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -19.034 6.365 -1.365 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -16.459 9.757 -1.229 1.00 0.81 H new ATOM 0 HZ PHE A 50 -18.712 8.805 -1.502 1.00 0.66 H new ATOM 535 N TYR A 51 -12.295 3.952 1.247 1.00 0.23 N ATOM 536 CA TYR A 51 -11.532 2.756 1.587 1.00 0.25 C ATOM 537 C TYR A 51 -11.916 2.283 2.986 1.00 0.21 C ATOM 538 O TYR A 51 -12.116 1.093 3.223 1.00 0.23 O ATOM 539 CB TYR A 51 -10.022 3.012 1.524 1.00 0.31 C ATOM 540 CG TYR A 51 -9.498 3.309 0.136 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.924 2.575 -0.966 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.574 4.325 -0.071 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.441 2.846 -2.232 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.089 4.602 -1.334 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.524 3.861 -2.410 1.00 0.72 C ATOM 546 OH TYR A 51 -8.046 4.140 -3.668 1.00 0.88 O ATOM 0 H TYR A 51 -11.743 4.807 1.175 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.772 1.985 0.855 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.780 3.850 2.178 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.501 2.139 1.917 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.643 1.781 -0.830 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.229 4.908 0.770 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.780 2.266 -3.078 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.372 5.396 -1.477 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.409 4.884 -3.619 1.00 0.88 H new ATOM 556 N SER A 52 -12.050 3.237 3.899 1.00 0.20 N ATOM 557 CA SER A 52 -12.438 2.943 5.270 1.00 0.22 C ATOM 558 C SER A 52 -13.834 2.338 5.305 1.00 0.22 C ATOM 559 O SER A 52 -14.088 1.358 6.001 1.00 0.23 O ATOM 560 CB SER A 52 -12.394 4.225 6.102 1.00 0.25 C ATOM 561 OG SER A 52 -11.078 4.758 6.132 1.00 0.56 O ATOM 0 H SER A 52 -11.894 4.227 3.711 1.00 0.20 H new ATOM 0 HA SER A 52 -11.739 2.220 5.692 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.080 4.961 5.683 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.731 4.017 7.118 1.00 0.25 H new ATOM 0 HG SER A 52 -10.878 5.184 5.272 1.00 0.56 H new ATOM 567 N GLN A 53 -14.721 2.919 4.514 1.00 0.24 N ATOM 568 CA GLN A 53 -16.092 2.458 4.410 1.00 0.27 C ATOM 569 C GLN A 53 -16.152 1.050 3.807 1.00 0.26 C ATOM 570 O GLN A 53 -17.050 0.265 4.114 1.00 0.30 O ATOM 571 CB GLN A 53 -16.901 3.475 3.597 1.00 0.31 C ATOM 572 CG GLN A 53 -17.137 4.770 4.366 1.00 0.37 C ATOM 573 CD GLN A 53 -18.004 5.784 3.636 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.870 5.872 2.322 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -18.759 6.524 4.265 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.508 3.725 3.926 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.534 2.385 5.404 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.375 3.697 2.669 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.861 3.037 3.323 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.604 4.531 5.321 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.173 5.227 4.588 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -18.839 6.430 5.277 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -19.305 7.232 3.774 1.00 0.94 H new ATOM 584 N ALA A 54 -15.170 0.724 2.976 1.00 0.23 N ATOM 585 CA ALA A 54 -15.031 -0.627 2.445 1.00 0.24 C ATOM 586 C ALA A 54 -14.682 -1.606 3.565 1.00 0.23 C ATOM 587 O ALA A 54 -15.048 -2.781 3.520 1.00 0.25 O ATOM 588 CB ALA A 54 -13.964 -0.660 1.362 1.00 0.25 C ATOM 0 H ALA A 54 -14.456 1.378 2.654 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.982 -0.928 2.006 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.870 -1.674 0.974 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.246 0.013 0.553 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.009 -0.343 1.782 1.00 0.25 H new ATOM 594 N ILE A 55 -13.982 -1.098 4.572 1.00 0.22 N ATOM 595 CA ILE A 55 -13.597 -1.887 5.744 1.00 0.22 C ATOM 596 C ILE A 55 -14.747 -1.935 6.749 1.00 0.24 C ATOM 597 O ILE A 55 -14.743 -2.705 7.711 1.00 0.27 O ATOM 598 CB ILE A 55 -12.346 -1.288 6.411 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.259 -1.085 5.360 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.836 -2.190 7.528 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.213 -0.090 5.777 1.00 0.28 C ATOM 0 H ILE A 55 -13.664 -0.129 4.603 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.368 -2.901 5.415 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.612 -0.327 6.852 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.779 -2.042 5.153 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.719 -0.751 4.430 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.952 -1.743 7.982 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.612 -2.307 8.284 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.579 -3.167 7.118 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.469 0.009 4.986 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.682 0.877 5.957 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.728 -0.433 6.691 1.00 0.28 H new ATOM 613 N GLU A 56 -15.734 -1.100 6.517 1.00 0.27 N ATOM 614 CA GLU A 56 -16.964 -1.152 7.280 1.00 0.31 C ATOM 615 C GLU A 56 -17.862 -2.235 6.693 1.00 0.31 C ATOM 616 O GLU A 56 -18.749 -2.773 7.362 1.00 0.34 O ATOM 617 CB GLU A 56 -17.652 0.210 7.221 1.00 0.34 C ATOM 618 CG GLU A 56 -16.723 1.363 7.562 1.00 0.36 C ATOM 619 CD GLU A 56 -16.477 1.497 9.046 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.323 2.094 9.742 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.438 1.006 9.530 1.00 0.81 O ATOM 0 H GLU A 56 -15.710 -0.372 5.803 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.755 -1.391 8.323 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.058 0.362 6.221 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.495 0.214 7.912 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.770 1.219 7.052 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.150 2.292 7.184 1.00 0.36 H new ATOM 628 N LEU A 57 -17.614 -2.544 5.426 1.00 0.31 N ATOM 629 CA LEU A 57 -18.338 -3.599 4.733 1.00 0.33 C ATOM 630 C LEU A 57 -17.630 -4.942 4.895 1.00 0.33 C ATOM 631 O LEU A 57 -18.219 -5.891 5.408 1.00 0.40 O ATOM 632 CB LEU A 57 -18.496 -3.240 3.263 1.00 0.34 C ATOM 633 CG LEU A 57 -19.118 -1.866 3.021 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.169 -1.556 1.548 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.504 -1.789 3.623 1.00 0.40 C ATOM 0 H LEU A 57 -16.911 -2.074 4.855 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.329 -3.693 5.177 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.517 -3.273 2.784 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.113 -3.997 2.779 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.489 -1.121 3.509 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.616 -0.573 1.398 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.158 -1.561 1.140 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.770 -2.309 1.038 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.927 -0.801 3.438 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.141 -2.547 3.168 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.444 -1.963 4.697 1.00 0.40 H new ATOM 647 N ASN A 58 -16.369 -5.034 4.473 1.00 0.29 N ATOM 648 CA ASN A 58 -15.589 -6.236 4.746 1.00 0.30 C ATOM 649 C ASN A 58 -14.545 -5.862 5.796 1.00 0.30 C ATOM 650 O ASN A 58 -14.300 -4.686 5.990 1.00 0.34 O ATOM 651 CB ASN A 58 -14.909 -6.645 3.421 1.00 0.35 C ATOM 652 CG ASN A 58 -14.255 -8.021 3.410 1.00 0.59 C ATOM 653 OD1 ASN A 58 -14.744 -8.972 4.006 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.142 -8.133 2.706 1.00 0.57 N ATOM 0 H ASN A 58 -15.877 -4.308 3.953 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.195 -7.064 5.114 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.654 -6.611 2.626 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.150 -5.901 3.179 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -12.664 -9.032 2.647 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -12.761 -7.320 2.221 1.00 0.57 H new ATOM 661 N PRO A 59 -13.875 -6.812 6.460 1.00 0.31 N ATOM 662 CA PRO A 59 -12.729 -6.502 7.303 1.00 0.35 C ATOM 663 C PRO A 59 -11.376 -6.959 6.738 1.00 0.35 C ATOM 664 O PRO A 59 -10.496 -6.150 6.442 1.00 0.35 O ATOM 665 CB PRO A 59 -13.105 -7.282 8.555 1.00 0.41 C ATOM 666 CG PRO A 59 -13.729 -8.543 8.026 1.00 0.41 C ATOM 667 CD PRO A 59 -14.295 -8.204 6.657 1.00 0.34 C ATOM 0 HA PRO A 59 -12.569 -5.432 7.433 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.230 -7.497 9.169 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.803 -6.723 9.179 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -12.990 -9.341 7.953 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.515 -8.897 8.694 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.896 -8.859 5.882 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.380 -8.305 6.633 1.00 0.34 H new ATOM 675 N SER A 60 -11.246 -8.268 6.574 1.00 0.44 N ATOM 676 CA SER A 60 -9.976 -8.918 6.335 1.00 0.49 C ATOM 677 C SER A 60 -9.590 -8.878 4.861 1.00 0.49 C ATOM 678 O SER A 60 -9.546 -9.903 4.178 1.00 0.68 O ATOM 679 CB SER A 60 -10.074 -10.358 6.843 1.00 0.63 C ATOM 680 OG SER A 60 -8.822 -11.025 6.796 1.00 1.52 O ATOM 0 H SER A 60 -12.035 -8.913 6.605 1.00 0.44 H new ATOM 0 HA SER A 60 -9.190 -8.387 6.871 1.00 0.49 H new ATOM 0 HB2 SER A 60 -10.446 -10.356 7.868 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.799 -10.906 6.242 1.00 0.63 H new ATOM 0 HG SER A 60 -8.926 -11.940 7.130 1.00 1.52 H new ATOM 686 N ASN A 61 -9.372 -7.679 4.360 1.00 0.43 N ATOM 687 CA ASN A 61 -8.823 -7.504 3.031 1.00 0.45 C ATOM 688 C ASN A 61 -7.601 -6.610 3.073 1.00 0.38 C ATOM 689 O ASN A 61 -7.716 -5.384 3.211 1.00 0.34 O ATOM 690 CB ASN A 61 -9.863 -6.936 2.067 1.00 0.48 C ATOM 691 CG ASN A 61 -10.366 -7.968 1.072 1.00 0.79 C ATOM 692 OD1 ASN A 61 -10.745 -7.628 -0.046 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.379 -9.231 1.471 1.00 1.07 N ATOM 0 H ASN A 61 -9.567 -6.809 4.855 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.527 -8.487 2.664 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.706 -6.546 2.637 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.429 -6.096 1.525 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.712 -9.961 0.842 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -10.056 -9.473 2.408 1.00 1.07 H new ATOM 700 N ALA A 62 -6.430 -7.220 2.962 1.00 0.42 N ATOM 701 CA ALA A 62 -5.190 -6.470 2.871 1.00 0.42 C ATOM 702 C ALA A 62 -5.252 -5.519 1.690 1.00 0.37 C ATOM 703 O ALA A 62 -4.589 -4.492 1.668 1.00 0.38 O ATOM 704 CB ALA A 62 -4.020 -7.417 2.731 1.00 0.52 C ATOM 0 H ALA A 62 -6.315 -8.233 2.933 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.054 -5.888 3.782 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.095 -6.845 2.663 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.978 -8.074 3.600 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.143 -8.016 1.829 1.00 0.52 H new ATOM 710 N ILE A 63 -6.074 -5.891 0.720 1.00 0.36 N ATOM 711 CA ILE A 63 -6.382 -5.059 -0.430 1.00 0.35 C ATOM 712 C ILE A 63 -6.795 -3.648 0.005 1.00 0.31 C ATOM 713 O ILE A 63 -6.188 -2.656 -0.395 1.00 0.34 O ATOM 714 CB ILE A 63 -7.532 -5.706 -1.236 1.00 0.43 C ATOM 715 CG1 ILE A 63 -7.125 -7.111 -1.701 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.939 -4.840 -2.416 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.894 -7.133 -2.577 1.00 0.74 C ATOM 0 H ILE A 63 -6.552 -6.792 0.711 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.488 -4.980 -1.049 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.400 -5.792 -0.582 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.947 -7.736 -0.826 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.956 -7.557 -2.247 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.749 -5.325 -2.961 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -8.275 -3.868 -2.055 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -7.085 -4.705 -3.080 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -5.670 -8.160 -2.865 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -6.073 -6.537 -3.472 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -5.049 -6.718 -2.028 1.00 0.74 H new ATOM 729 N TYR A 64 -7.800 -3.572 0.868 1.00 0.29 N ATOM 730 CA TYR A 64 -8.357 -2.289 1.278 1.00 0.28 C ATOM 731 C TYR A 64 -7.392 -1.529 2.181 1.00 0.30 C ATOM 732 O TYR A 64 -7.373 -0.299 2.187 1.00 0.34 O ATOM 733 CB TYR A 64 -9.697 -2.485 1.990 1.00 0.26 C ATOM 734 CG TYR A 64 -10.732 -3.205 1.152 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.806 -3.010 -0.223 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.624 -4.090 1.738 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.742 -3.681 -0.988 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.557 -4.768 0.980 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.614 -4.560 -0.384 1.00 0.35 C ATOM 740 OH TYR A 64 -13.539 -5.240 -1.144 1.00 0.42 O ATOM 0 H TYR A 64 -8.246 -4.383 1.297 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.519 -1.697 0.377 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.531 -3.047 2.909 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.091 -1.511 2.279 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.122 -2.324 -0.700 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.588 -4.251 2.805 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.789 -3.517 -2.054 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.240 -5.459 1.452 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.076 -5.820 -0.564 1.00 0.42 H new ATOM 750 N TYR A 65 -6.587 -2.254 2.938 1.00 0.30 N ATOM 751 CA TYR A 65 -5.589 -1.613 3.787 1.00 0.32 C ATOM 752 C TYR A 65 -4.342 -1.239 2.985 1.00 0.33 C ATOM 753 O TYR A 65 -3.551 -0.395 3.400 1.00 0.37 O ATOM 754 CB TYR A 65 -5.233 -2.513 4.969 1.00 0.34 C ATOM 755 CG TYR A 65 -6.241 -2.444 6.097 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.373 -3.249 6.113 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.057 -1.560 7.150 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.286 -3.175 7.147 1.00 0.40 C ATOM 759 CE2 TYR A 65 -6.967 -1.480 8.186 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.078 -2.289 8.181 1.00 0.47 C ATOM 761 OH TYR A 65 -8.982 -2.217 9.218 1.00 0.55 O ATOM 0 H TYR A 65 -6.601 -3.273 2.985 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.018 -0.691 4.179 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.156 -3.543 4.622 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.252 -2.230 5.350 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.542 -3.944 5.304 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.186 -0.922 7.160 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.160 -3.810 7.145 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.806 -0.785 8.997 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.685 -1.543 9.864 1.00 0.55 H new ATOM 771 N GLY A 66 -4.181 -1.854 1.825 1.00 0.35 N ATOM 772 CA GLY A 66 -3.068 -1.528 0.960 1.00 0.41 C ATOM 773 C GLY A 66 -3.296 -0.232 0.218 1.00 0.43 C ATOM 774 O GLY A 66 -2.402 0.609 0.130 1.00 0.51 O ATOM 0 H GLY A 66 -4.804 -2.577 1.465 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.157 -1.452 1.553 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.916 -2.335 0.244 1.00 0.41 H new ATOM 778 N ASN A 67 -4.500 -0.055 -0.307 1.00 0.44 N ATOM 779 CA ASN A 67 -4.817 1.153 -1.052 1.00 0.57 C ATOM 780 C ASN A 67 -5.165 2.318 -0.129 1.00 0.41 C ATOM 781 O ASN A 67 -5.087 3.474 -0.541 1.00 0.38 O ATOM 782 CB ASN A 67 -5.933 0.906 -2.085 1.00 0.84 C ATOM 783 CG ASN A 67 -7.186 0.253 -1.521 1.00 1.28 C ATOM 784 OD1 ASN A 67 -7.585 0.626 -0.319 1.00 2.28 O flip ATOM 785 ND2 ASN A 67 -7.813 -0.566 -2.181 1.00 1.35 N flip ATOM 0 H ASN A 67 -5.265 -0.725 -0.232 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.917 1.432 -1.599 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -6.208 1.859 -2.538 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -5.539 0.276 -2.883 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -7.482 -0.836 -3.107 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -8.667 -0.978 -1.805 1.00 1.35 H new ATOM 792 N ARG A 68 -5.544 2.039 1.121 1.00 0.39 N ATOM 793 CA ARG A 68 -5.827 3.129 2.051 1.00 0.39 C ATOM 794 C ARG A 68 -4.533 3.705 2.602 1.00 0.31 C ATOM 795 O ARG A 68 -4.396 4.923 2.719 1.00 0.32 O ATOM 796 CB ARG A 68 -6.744 2.716 3.202 1.00 0.53 C ATOM 797 CG ARG A 68 -7.127 3.906 4.071 1.00 0.80 C ATOM 798 CD ARG A 68 -8.163 3.562 5.124 1.00 0.48 C ATOM 799 NE ARG A 68 -7.646 2.664 6.155 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.275 2.413 7.304 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.438 2.991 7.578 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.727 1.591 8.184 1.00 1.87 N ATOM 0 H ARG A 68 -5.659 1.100 1.501 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.358 3.890 1.479 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.646 2.253 2.801 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.245 1.964 3.814 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.234 4.293 4.561 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.513 4.703 3.436 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.517 4.480 5.593 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.024 3.098 4.642 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.752 2.203 5.986 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.859 3.634 6.907 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.911 2.792 8.460 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.828 1.153 7.982 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.203 1.395 9.064 1.00 1.87 H new ATOM 816 N SER A 69 -3.582 2.839 2.935 1.00 0.31 N ATOM 817 CA SER A 69 -2.259 3.297 3.333 1.00 0.32 C ATOM 818 C SER A 69 -1.630 4.092 2.194 1.00 0.27 C ATOM 819 O SER A 69 -0.952 5.085 2.420 1.00 0.27 O ATOM 820 CB SER A 69 -1.375 2.112 3.730 1.00 0.43 C ATOM 821 OG SER A 69 -1.408 1.095 2.748 1.00 1.16 O ATOM 0 H SER A 69 -3.702 1.826 2.937 1.00 0.31 H new ATOM 0 HA SER A 69 -2.352 3.946 4.204 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.349 2.452 3.870 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.711 1.709 4.685 1.00 0.43 H new ATOM 0 HG SER A 69 -2.098 0.439 2.979 1.00 1.16 H new ATOM 827 N LEU A 70 -1.886 3.649 0.969 1.00 0.28 N ATOM 828 CA LEU A 70 -1.478 4.368 -0.229 1.00 0.31 C ATOM 829 C LEU A 70 -2.127 5.759 -0.271 1.00 0.31 C ATOM 830 O LEU A 70 -1.491 6.739 -0.657 1.00 0.38 O ATOM 831 CB LEU A 70 -1.843 3.528 -1.468 1.00 0.36 C ATOM 832 CG LEU A 70 -1.444 4.092 -2.840 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.521 5.021 -3.382 1.00 1.25 C ATOM 834 CD2 LEU A 70 -0.101 4.806 -2.763 1.00 1.16 C ATOM 0 H LEU A 70 -2.384 2.779 0.779 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.399 4.521 -0.219 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.381 2.547 -1.359 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.922 3.375 -1.466 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.343 3.255 -3.531 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -2.214 5.406 -4.354 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.456 4.471 -3.489 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.666 5.852 -2.692 1.00 1.25 H new ATOM 0 HD21 LEU A 70 0.160 5.197 -3.746 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -0.167 5.629 -2.051 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.666 4.104 -2.436 1.00 1.16 H new ATOM 846 N ALA A 71 -3.383 5.844 0.142 1.00 0.26 N ATOM 847 CA ALA A 71 -4.087 7.115 0.190 1.00 0.30 C ATOM 848 C ALA A 71 -3.478 8.013 1.260 1.00 0.29 C ATOM 849 O ALA A 71 -3.299 9.214 1.051 1.00 0.36 O ATOM 850 CB ALA A 71 -5.565 6.888 0.452 1.00 0.32 C ATOM 0 H ALA A 71 -3.936 5.044 0.450 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.984 7.613 -0.774 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.080 7.848 0.485 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.987 6.278 -0.347 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.691 6.375 1.406 1.00 0.32 H new ATOM 856 N TYR A 72 -3.155 7.422 2.405 1.00 0.25 N ATOM 857 CA TYR A 72 -2.439 8.133 3.455 1.00 0.25 C ATOM 858 C TYR A 72 -1.044 8.532 2.969 1.00 0.26 C ATOM 859 O TYR A 72 -0.526 9.583 3.327 1.00 0.30 O ATOM 860 CB TYR A 72 -2.344 7.281 4.727 1.00 0.25 C ATOM 861 CG TYR A 72 -3.625 7.236 5.537 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.103 8.375 6.175 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.354 6.059 5.667 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.268 8.344 6.918 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.521 6.022 6.409 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.974 7.166 7.033 1.00 0.43 C ATOM 867 OH TYR A 72 -7.138 7.134 7.770 1.00 0.52 O ATOM 0 H TYR A 72 -3.378 6.452 2.629 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.996 9.038 3.697 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -2.065 6.264 4.451 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.543 7.672 5.355 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.554 9.301 6.088 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -4.004 5.160 5.181 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.624 9.239 7.406 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -6.076 5.100 6.500 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.513 6.229 7.750 1.00 0.52 H new ATOM 877 N LEU A 73 -0.454 7.689 2.135 1.00 0.26 N ATOM 878 CA LEU A 73 0.835 7.971 1.518 1.00 0.30 C ATOM 879 C LEU A 73 0.752 9.188 0.598 1.00 0.37 C ATOM 880 O LEU A 73 1.674 10.001 0.546 1.00 0.50 O ATOM 881 CB LEU A 73 1.319 6.731 0.755 1.00 0.31 C ATOM 882 CG LEU A 73 2.155 5.753 1.585 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.200 4.385 0.922 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.569 6.283 1.757 1.00 0.43 C ATOM 0 H LEU A 73 -0.854 6.790 1.866 1.00 0.26 H new ATOM 0 HA LEU A 73 1.557 8.208 2.300 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.451 6.202 0.361 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.910 7.056 -0.101 1.00 0.31 H new ATOM 0 HG LEU A 73 1.686 5.653 2.564 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.799 3.706 1.529 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.188 3.992 0.830 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.646 4.475 -0.069 1.00 0.33 H new ATOM 0 HD21 LEU A 73 4.152 5.578 2.349 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.033 6.406 0.778 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.537 7.246 2.267 1.00 0.43 H new ATOM 896 N ARG A 74 -0.364 9.324 -0.110 1.00 0.38 N ATOM 897 CA ARG A 74 -0.587 10.487 -0.967 1.00 0.48 C ATOM 898 C ARG A 74 -0.759 11.746 -0.123 1.00 0.53 C ATOM 899 O ARG A 74 -0.376 12.843 -0.528 1.00 0.67 O ATOM 900 CB ARG A 74 -1.837 10.301 -1.832 1.00 0.51 C ATOM 901 CG ARG A 74 -1.809 9.084 -2.742 1.00 0.48 C ATOM 902 CD ARG A 74 -0.633 9.109 -3.707 1.00 1.19 C ATOM 903 NE ARG A 74 -0.695 10.240 -4.636 1.00 1.95 N ATOM 904 CZ ARG A 74 -0.293 10.181 -5.907 1.00 2.78 C ATOM 905 NH1 ARG A 74 0.224 9.056 -6.394 1.00 3.07 N ATOM 906 NH2 ARG A 74 -0.400 11.250 -6.690 1.00 3.53 N ATOM 0 H ARG A 74 -1.127 8.647 -0.109 1.00 0.38 H new ATOM 0 HA ARG A 74 0.285 10.590 -1.613 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.706 10.228 -1.178 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.973 11.192 -2.445 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.758 8.180 -2.134 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.739 9.035 -3.308 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.297 9.159 -3.141 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.612 8.178 -4.274 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.067 11.125 -4.291 1.00 1.95 H new ATOM 0 HH11 ARG A 74 0.314 8.235 -5.795 1.00 3.07 H new ATOM 0 HH12 ARG A 74 0.530 9.014 -7.366 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.790 12.117 -6.319 1.00 3.53 H new ATOM 0 HH22 ARG A 74 -0.092 11.204 -7.661 1.00 3.53 H new ATOM 920 N THR A 75 -1.325 11.567 1.059 1.00 0.48 N ATOM 921 CA THR A 75 -1.669 12.681 1.928 1.00 0.57 C ATOM 922 C THR A 75 -0.616 12.895 3.017 1.00 0.70 C ATOM 923 O THR A 75 -0.921 13.447 4.077 1.00 1.53 O ATOM 924 CB THR A 75 -3.042 12.430 2.577 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.056 11.140 3.196 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.150 12.493 1.540 1.00 0.49 C ATOM 0 H THR A 75 -1.558 10.651 1.442 1.00 0.48 H new ATOM 0 HA THR A 75 -1.707 13.582 1.316 1.00 0.57 H new ATOM 0 HB THR A 75 -3.212 13.205 3.324 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.847 11.232 4.149 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.111 12.313 2.022 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.157 13.479 1.075 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.978 11.733 0.778 1.00 0.49 H new ATOM 934 N GLU A 76 0.619 12.449 2.733 1.00 0.57 N ATOM 935 CA GLU A 76 1.783 12.567 3.641 1.00 0.59 C ATOM 936 C GLU A 76 1.468 12.094 5.067 1.00 0.42 C ATOM 937 O GLU A 76 2.120 12.487 6.034 1.00 0.45 O ATOM 938 CB GLU A 76 2.373 13.992 3.638 1.00 0.86 C ATOM 939 CG GLU A 76 1.455 15.079 4.167 1.00 1.85 C ATOM 940 CD GLU A 76 2.107 16.443 4.146 1.00 2.38 C ATOM 941 OE1 GLU A 76 2.771 16.806 5.137 1.00 2.71 O ATOM 942 OE2 GLU A 76 1.956 17.165 3.139 1.00 2.77 O ATOM 0 H GLU A 76 0.845 11.988 1.852 1.00 0.57 H new ATOM 0 HA GLU A 76 2.546 11.895 3.248 1.00 0.59 H new ATOM 0 HB2 GLU A 76 3.286 13.990 4.233 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.659 14.246 2.617 1.00 0.86 H new ATOM 0 HG2 GLU A 76 0.544 15.105 3.569 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.159 14.836 5.188 1.00 1.85 H new ATOM 949 N CYS A 77 0.516 11.184 5.161 1.00 0.32 N ATOM 950 CA CYS A 77 0.086 10.599 6.421 1.00 0.32 C ATOM 951 C CYS A 77 0.812 9.288 6.669 1.00 0.32 C ATOM 952 O CYS A 77 0.227 8.331 7.174 1.00 0.35 O ATOM 953 CB CYS A 77 -1.420 10.366 6.404 1.00 0.33 C ATOM 954 SG CYS A 77 -2.401 11.875 6.234 1.00 0.37 S ATOM 0 H CYS A 77 0.011 10.824 4.352 1.00 0.32 H new ATOM 0 HA CYS A 77 0.328 11.292 7.227 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.663 9.693 5.581 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.709 9.860 7.325 1.00 0.33 H new ATOM 0 HG CYS A 77 -1.777 12.713 5.460 1.00 0.37 H new ATOM 960 N TYR A 78 2.074 9.249 6.263 1.00 0.34 N ATOM 961 CA TYR A 78 2.888 8.034 6.294 1.00 0.38 C ATOM 962 C TYR A 78 2.809 7.290 7.631 1.00 0.41 C ATOM 963 O TYR A 78 2.975 6.074 7.667 1.00 0.43 O ATOM 964 CB TYR A 78 4.343 8.367 5.992 1.00 0.44 C ATOM 965 CG TYR A 78 4.525 9.348 4.855 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.816 9.206 3.672 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.407 10.415 4.969 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.979 10.096 2.631 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.576 11.311 3.932 1.00 0.66 C ATOM 970 CZ TYR A 78 4.859 11.144 2.764 1.00 0.66 C ATOM 971 OH TYR A 78 5.020 12.034 1.727 1.00 0.84 O ATOM 0 H TYR A 78 2.568 10.064 5.900 1.00 0.34 H new ATOM 0 HA TYR A 78 2.481 7.373 5.529 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.805 8.777 6.890 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.874 7.446 5.752 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.124 8.384 3.564 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.969 10.546 5.882 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.418 9.970 1.716 1.00 0.66 H new ATOM 0 HE2 TYR A 78 6.264 12.137 4.034 1.00 0.66 H new ATOM 0 HH TYR A 78 5.676 12.716 1.980 1.00 0.84 H new ATOM 981 N GLY A 79 2.569 8.015 8.723 1.00 0.43 N ATOM 982 CA GLY A 79 2.388 7.366 10.013 1.00 0.49 C ATOM 983 C GLY A 79 1.219 6.401 9.981 1.00 0.42 C ATOM 984 O GLY A 79 1.349 5.230 10.356 1.00 0.42 O ATOM 0 H GLY A 79 2.497 9.032 8.738 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.298 6.831 10.285 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.220 8.120 10.782 1.00 0.49 H new ATOM 988 N TYR A 80 0.079 6.892 9.505 1.00 0.38 N ATOM 989 CA TYR A 80 -1.094 6.055 9.305 1.00 0.36 C ATOM 990 C TYR A 80 -0.810 5.002 8.248 1.00 0.30 C ATOM 991 O TYR A 80 -1.198 3.852 8.399 1.00 0.32 O ATOM 992 CB TYR A 80 -2.302 6.885 8.868 1.00 0.40 C ATOM 993 CG TYR A 80 -2.893 7.752 9.954 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.727 7.208 10.923 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.635 9.114 10.000 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.285 7.998 11.907 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.188 9.911 10.984 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.013 9.347 11.934 1.00 1.29 C ATOM 999 OH TYR A 80 -4.571 10.136 12.914 1.00 1.70 O ATOM 0 H TYR A 80 -0.055 7.870 9.250 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.323 5.576 10.257 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.007 7.521 8.033 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.075 6.211 8.498 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -3.942 6.150 10.906 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -1.992 9.559 9.255 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -4.932 7.560 12.652 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -2.975 10.970 11.009 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.279 11.064 12.793 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.120 5.411 7.188 1.00 0.28 N ATOM 1010 CA ALA A 81 0.199 4.522 6.075 1.00 0.28 C ATOM 1011 C ALA A 81 0.978 3.296 6.546 1.00 0.29 C ATOM 1012 O ALA A 81 0.630 2.163 6.214 1.00 0.33 O ATOM 1013 CB ALA A 81 0.987 5.275 5.013 1.00 0.31 C ATOM 0 H ALA A 81 0.232 6.362 7.076 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.739 4.173 5.643 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.220 4.602 4.187 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.393 6.111 4.644 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.914 5.652 5.446 1.00 0.31 H new ATOM 1019 N LEU A 82 2.018 3.532 7.337 1.00 0.30 N ATOM 1020 CA LEU A 82 2.845 2.458 7.867 1.00 0.34 C ATOM 1021 C LEU A 82 1.997 1.508 8.711 1.00 0.32 C ATOM 1022 O LEU A 82 2.095 0.287 8.580 1.00 0.37 O ATOM 1023 CB LEU A 82 4.009 3.058 8.683 1.00 0.42 C ATOM 1024 CG LEU A 82 5.110 2.086 9.145 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.656 1.263 10.332 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.532 1.167 8.012 1.00 0.52 C ATOM 0 H LEU A 82 2.309 4.466 7.626 1.00 0.30 H new ATOM 0 HA LEU A 82 3.268 1.880 7.045 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.476 3.839 8.083 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.591 3.541 9.566 1.00 0.42 H new ATOM 0 HG LEU A 82 5.967 2.687 9.450 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.456 0.587 10.633 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.409 1.926 11.161 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.775 0.683 10.057 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.311 0.490 8.363 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.673 0.588 7.674 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.916 1.763 7.184 1.00 0.52 H new ATOM 1038 N ASN A 83 1.149 2.071 9.560 1.00 0.32 N ATOM 1039 CA ASN A 83 0.302 1.266 10.436 1.00 0.39 C ATOM 1040 C ASN A 83 -0.751 0.511 9.632 1.00 0.38 C ATOM 1041 O ASN A 83 -1.008 -0.668 9.877 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.383 2.144 11.491 1.00 0.47 C ATOM 1043 CG ASN A 83 0.543 2.570 12.623 1.00 1.25 C ATOM 1044 OD1 ASN A 83 1.831 2.703 12.340 1.00 1.86 O flip ATOM 1045 ND2 ASN A 83 0.097 2.785 13.750 1.00 2.09 N flip ATOM 0 H ASN A 83 1.028 3.079 9.663 1.00 0.32 H new ATOM 0 HA ASN A 83 0.943 0.543 10.941 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.784 3.034 11.006 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.230 1.600 11.910 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -0.900 2.673 13.934 1.00 2.09 H new ATOM 0 HD22 ASN A 83 0.724 3.075 14.500 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.333 1.195 8.658 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.415 0.642 7.849 1.00 0.45 C ATOM 1054 C ASP A 84 -1.915 -0.526 7.005 1.00 0.42 C ATOM 1055 O ASP A 84 -2.548 -1.580 6.941 1.00 0.44 O ATOM 1056 CB ASP A 84 -2.989 1.736 6.948 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.422 1.471 6.538 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.270 1.321 7.439 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -4.716 1.457 5.328 1.00 1.19 O ATOM 0 H ASP A 84 -1.071 2.148 8.405 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.197 0.272 8.512 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.936 2.692 7.468 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.371 1.825 6.054 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.755 -0.343 6.387 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.161 -1.378 5.552 1.00 0.43 C ATOM 1066 C ALA A 85 0.291 -2.572 6.390 1.00 0.42 C ATOM 1067 O ALA A 85 0.297 -3.708 5.916 1.00 0.42 O ATOM 1068 CB ALA A 85 1.002 -0.812 4.758 1.00 0.48 C ATOM 0 H ALA A 85 -0.206 0.515 6.449 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.922 -1.729 4.855 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.436 -1.597 4.139 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.648 -0.002 4.121 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.759 -0.430 5.443 1.00 0.48 H new ATOM 1074 N THR A 86 0.663 -2.316 7.637 1.00 0.42 N ATOM 1075 CA THR A 86 1.034 -3.388 8.551 1.00 0.44 C ATOM 1076 C THR A 86 -0.206 -4.194 8.938 1.00 0.43 C ATOM 1077 O THR A 86 -0.141 -5.411 9.125 1.00 0.44 O ATOM 1078 CB THR A 86 1.742 -2.832 9.803 1.00 0.47 C ATOM 1079 OG1 THR A 86 2.913 -2.108 9.402 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.146 -3.949 10.755 1.00 0.55 C ATOM 0 H THR A 86 0.716 -1.379 8.038 1.00 0.42 H new ATOM 0 HA THR A 86 1.737 -4.048 8.044 1.00 0.44 H new ATOM 0 HB THR A 86 1.046 -2.174 10.324 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.651 -1.234 9.044 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.642 -3.522 11.627 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.258 -4.494 11.074 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.828 -4.631 10.247 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.343 -3.513 9.014 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.612 -4.179 9.264 1.00 0.43 C ATOM 1090 C ARG A 87 -2.958 -5.101 8.098 1.00 0.39 C ATOM 1091 O ARG A 87 -3.578 -6.146 8.286 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.724 -3.153 9.484 1.00 0.47 C ATOM 1093 CG ARG A 87 -5.088 -3.770 9.761 1.00 0.58 C ATOM 1094 CD ARG A 87 -5.095 -4.587 11.041 1.00 0.71 C ATOM 1095 NE ARG A 87 -6.419 -5.140 11.321 1.00 1.63 N ATOM 1096 CZ ARG A 87 -6.671 -6.049 12.258 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -5.701 -6.488 13.054 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -7.907 -6.499 12.417 1.00 3.28 N ATOM 0 H ARG A 87 -1.411 -2.501 8.906 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.519 -4.779 10.169 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.451 -2.510 10.320 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.797 -2.516 8.602 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.835 -2.980 9.832 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.375 -4.406 8.924 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -4.371 -5.398 10.959 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.778 -3.960 11.875 1.00 0.71 H new ATOM 0 HE ARG A 87 -7.202 -4.806 10.760 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.753 -6.127 12.949 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -5.905 -7.186 13.770 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -8.658 -6.148 11.823 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -8.108 -7.196 13.134 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.541 -4.714 6.895 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.718 -5.564 5.725 1.00 0.38 C ATOM 1114 C ALA A 88 -1.941 -6.858 5.892 1.00 0.39 C ATOM 1115 O ALA A 88 -2.463 -7.932 5.633 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.276 -4.861 4.457 1.00 0.42 C ATOM 0 H ALA A 88 -2.081 -3.823 6.707 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.781 -5.788 5.637 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.422 -5.524 3.604 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.867 -3.955 4.318 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.221 -4.598 4.536 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.692 -6.739 6.334 1.00 0.42 N ATOM 1123 CA ILE A 89 0.143 -7.907 6.617 1.00 0.47 C ATOM 1124 C ILE A 89 -0.555 -8.825 7.630 1.00 0.47 C ATOM 1125 O ILE A 89 -0.377 -10.043 7.622 1.00 0.59 O ATOM 1126 CB ILE A 89 1.527 -7.508 7.190 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.132 -6.304 6.445 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.485 -8.692 7.141 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.220 -6.464 4.943 1.00 1.15 C ATOM 0 H ILE A 89 -0.233 -5.844 6.505 1.00 0.42 H new ATOM 0 HA ILE A 89 0.293 -8.425 5.670 1.00 0.47 H new ATOM 0 HB ILE A 89 1.376 -7.212 8.228 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.534 -5.420 6.667 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.133 -6.119 6.835 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.452 -8.395 7.547 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.080 -9.513 7.733 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.610 -9.017 6.108 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.658 -5.567 4.507 1.00 1.15 H new ATOM 0 HD12 ILE A 89 2.844 -7.325 4.705 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.221 -6.615 4.534 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.360 -8.227 8.497 1.00 0.42 N ATOM 1142 CA GLU A 90 -2.087 -8.976 9.514 1.00 0.43 C ATOM 1143 C GLU A 90 -3.315 -9.670 8.931 1.00 0.40 C ATOM 1144 O GLU A 90 -3.764 -10.694 9.448 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.502 -8.047 10.652 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.323 -7.451 11.395 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.425 -8.514 11.994 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.939 -9.575 12.397 1.00 0.82 O ATOM 1149 OE2 GLU A 90 0.805 -8.298 12.062 1.00 0.73 O ATOM 0 H GLU A 90 -1.527 -7.221 8.517 1.00 0.42 H new ATOM 0 HA GLU A 90 -1.420 -9.747 9.900 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -3.115 -7.241 10.249 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -3.125 -8.600 11.355 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.742 -6.830 10.713 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.688 -6.798 12.188 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.851 -9.117 7.855 1.00 0.38 N ATOM 1157 CA LEU A 91 -5.011 -9.698 7.189 1.00 0.39 C ATOM 1158 C LEU A 91 -4.559 -10.718 6.151 1.00 0.43 C ATOM 1159 O LEU A 91 -5.197 -11.750 5.950 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.833 -8.604 6.512 1.00 0.36 C ATOM 1161 CG LEU A 91 -6.300 -7.470 7.423 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -7.026 -6.417 6.612 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -7.200 -7.995 8.530 1.00 0.45 C ATOM 0 H LEU A 91 -3.501 -8.263 7.421 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.630 -10.196 7.935 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -5.240 -8.176 5.704 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.710 -9.063 6.055 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.422 -7.020 7.886 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.355 -5.613 7.271 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.354 -6.014 5.855 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.893 -6.865 6.126 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.518 -7.167 9.164 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -8.076 -8.473 8.091 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.652 -8.722 9.130 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.432 -10.421 5.526 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.827 -11.275 4.530 1.00 0.53 C ATOM 1177 C ASP A 92 -1.341 -11.280 4.789 1.00 0.56 C ATOM 1178 O ASP A 92 -0.628 -10.357 4.391 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.118 -10.798 3.098 1.00 0.66 C ATOM 1180 CG ASP A 92 -4.547 -11.057 2.654 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -5.416 -10.184 2.869 1.00 2.34 O ATOM 1182 OD2 ASP A 92 -4.806 -12.129 2.064 1.00 2.32 O ATOM 0 H ASP A 92 -2.907 -9.565 5.703 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.248 -12.277 4.609 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -2.912 -9.730 3.030 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.436 -11.298 2.411 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.892 -12.304 5.499 1.00 0.48 N ATOM 1188 CA LYS A 93 0.472 -12.365 5.999 1.00 0.50 C ATOM 1189 C LYS A 93 1.457 -12.223 4.864 1.00 0.55 C ATOM 1190 O LYS A 93 2.520 -11.636 5.034 1.00 0.64 O ATOM 1191 CB LYS A 93 0.677 -13.669 6.763 1.00 0.55 C ATOM 1192 CG LYS A 93 1.617 -13.573 7.966 1.00 0.73 C ATOM 1193 CD LYS A 93 3.057 -13.267 7.577 1.00 1.22 C ATOM 1194 CE LYS A 93 3.958 -13.186 8.804 1.00 1.76 C ATOM 1195 NZ LYS A 93 5.352 -12.807 8.451 1.00 2.61 N ATOM 0 H LYS A 93 -1.462 -13.114 5.744 1.00 0.48 H new ATOM 0 HA LYS A 93 0.646 -11.536 6.685 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.293 -14.027 7.107 1.00 0.55 H new ATOM 0 HB3 LYS A 93 1.068 -14.418 6.075 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.256 -12.796 8.640 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.588 -14.513 8.518 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.426 -14.040 6.903 1.00 1.22 H new ATOM 0 HD3 LYS A 93 3.096 -12.324 7.032 1.00 1.22 H new ATOM 0 HE2 LYS A 93 3.551 -12.457 9.504 1.00 1.76 H new ATOM 0 HE3 LYS A 93 3.963 -14.149 9.314 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 5.929 -12.764 9.315 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 5.751 -13.516 7.803 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 5.352 -11.876 7.988 1.00 2.61 H new ATOM 1209 N LYS A 94 1.123 -12.732 3.698 1.00 0.55 N ATOM 1210 CA LYS A 94 1.876 -12.333 2.543 1.00 0.61 C ATOM 1211 C LYS A 94 0.973 -11.581 1.566 1.00 0.60 C ATOM 1212 O LYS A 94 0.164 -12.149 0.830 1.00 0.69 O ATOM 1213 CB LYS A 94 2.598 -13.522 1.900 1.00 0.76 C ATOM 1214 CG LYS A 94 1.679 -14.533 1.276 1.00 0.96 C ATOM 1215 CD LYS A 94 2.443 -15.739 0.749 1.00 1.17 C ATOM 1216 CE LYS A 94 3.435 -15.355 -0.342 1.00 1.41 C ATOM 1217 NZ LYS A 94 4.225 -16.528 -0.804 1.00 2.11 N ATOM 0 H LYS A 94 0.366 -13.395 3.532 1.00 0.55 H new ATOM 0 HA LYS A 94 2.664 -11.646 2.854 1.00 0.61 H new ATOM 0 HB2 LYS A 94 3.282 -13.149 1.137 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.205 -14.018 2.658 1.00 0.76 H new ATOM 0 HG2 LYS A 94 0.945 -14.861 2.012 1.00 0.96 H new ATOM 0 HG3 LYS A 94 1.126 -14.067 0.460 1.00 0.96 H new ATOM 0 HD2 LYS A 94 2.975 -16.218 1.571 1.00 1.17 H new ATOM 0 HD3 LYS A 94 1.738 -16.471 0.356 1.00 1.17 H new ATOM 0 HE2 LYS A 94 2.898 -14.922 -1.186 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.110 -14.587 0.034 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 4.889 -16.229 -1.546 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 4.757 -16.926 -0.003 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 3.582 -17.251 -1.186 1.00 2.11 H new ATOM 1231 N TYR A 95 1.122 -10.276 1.606 1.00 0.53 N ATOM 1232 CA TYR A 95 0.500 -9.370 0.673 1.00 0.58 C ATOM 1233 C TYR A 95 1.565 -8.366 0.281 1.00 0.55 C ATOM 1234 O TYR A 95 1.738 -7.328 0.917 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.732 -8.702 1.305 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.333 -7.572 0.491 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.914 -7.794 -0.752 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.309 -6.275 0.978 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -2.451 -6.747 -1.484 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.839 -5.228 0.254 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.408 -5.468 -0.974 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.913 -4.415 -1.694 1.00 1.46 O ATOM 0 H TYR A 95 1.694 -9.806 2.307 1.00 0.53 H new ATOM 0 HA TYR A 95 0.131 -9.889 -0.212 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -1.497 -9.462 1.465 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.455 -8.316 2.286 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -1.947 -8.796 -1.153 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -0.866 -6.080 1.944 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -2.900 -6.933 -2.448 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -1.807 -4.224 0.650 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.648 -4.729 -2.261 1.00 1.46 H new ATOM 1252 N ILE A 96 2.325 -8.743 -0.729 1.00 0.56 N ATOM 1253 CA ILE A 96 3.554 -8.060 -1.094 1.00 0.55 C ATOM 1254 C ILE A 96 3.325 -6.596 -1.444 1.00 0.49 C ATOM 1255 O ILE A 96 4.166 -5.744 -1.155 1.00 0.45 O ATOM 1256 CB ILE A 96 4.232 -8.798 -2.264 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.746 -10.159 -1.797 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.358 -7.975 -2.863 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.797 -10.069 -0.712 1.00 0.83 C ATOM 0 H ILE A 96 2.105 -9.540 -1.326 1.00 0.56 H new ATOM 0 HA ILE A 96 4.210 -8.074 -0.224 1.00 0.55 H new ATOM 0 HB ILE A 96 3.488 -8.950 -3.046 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.906 -10.749 -1.430 1.00 0.87 H new ATOM 0 HG13 ILE A 96 5.162 -10.694 -2.651 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.814 -8.526 -3.686 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.960 -7.031 -3.235 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.110 -7.776 -2.099 1.00 0.59 H new ATOM 0 HD11 ILE A 96 6.116 -11.073 -0.430 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.654 -9.507 -1.082 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.379 -9.563 0.158 1.00 0.83 H new ATOM 1271 N LYS A 97 2.185 -6.301 -2.041 1.00 0.54 N ATOM 1272 CA LYS A 97 1.846 -4.926 -2.372 1.00 0.55 C ATOM 1273 C LYS A 97 1.748 -4.101 -1.090 1.00 0.50 C ATOM 1274 O LYS A 97 2.095 -2.925 -1.067 1.00 0.51 O ATOM 1275 CB LYS A 97 0.524 -4.874 -3.134 1.00 0.71 C ATOM 1276 CG LYS A 97 0.367 -3.645 -4.013 1.00 1.28 C ATOM 1277 CD LYS A 97 1.339 -3.665 -5.183 1.00 1.65 C ATOM 1278 CE LYS A 97 1.086 -2.515 -6.149 1.00 1.73 C ATOM 1279 NZ LYS A 97 -0.256 -2.600 -6.787 1.00 1.59 N ATOM 0 H LYS A 97 1.481 -6.989 -2.306 1.00 0.54 H new ATOM 0 HA LYS A 97 2.627 -4.510 -3.008 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.439 -5.766 -3.755 1.00 0.71 H new ATOM 0 HB3 LYS A 97 -0.298 -4.904 -2.418 1.00 0.71 H new ATOM 0 HG2 LYS A 97 -0.655 -3.594 -4.389 1.00 1.28 H new ATOM 0 HG3 LYS A 97 0.532 -2.747 -3.417 1.00 1.28 H new ATOM 0 HD2 LYS A 97 2.361 -3.606 -4.808 1.00 1.65 H new ATOM 0 HD3 LYS A 97 1.249 -4.612 -5.714 1.00 1.65 H new ATOM 0 HE2 LYS A 97 1.173 -1.569 -5.615 1.00 1.73 H new ATOM 0 HE3 LYS A 97 1.854 -2.517 -6.922 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -0.291 -1.963 -7.608 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -0.431 -3.577 -7.099 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -0.985 -2.320 -6.100 1.00 1.59 H new ATOM 1293 N GLY A 98 1.312 -4.756 -0.018 1.00 0.51 N ATOM 1294 CA GLY A 98 1.179 -4.102 1.271 1.00 0.52 C ATOM 1295 C GLY A 98 2.510 -3.977 1.968 1.00 0.43 C ATOM 1296 O GLY A 98 2.788 -2.963 2.608 1.00 0.48 O ATOM 0 H GLY A 98 1.046 -5.741 -0.021 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.744 -3.112 1.134 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.491 -4.669 1.898 1.00 0.52 H new ATOM 1300 N TYR A 99 3.334 -5.016 1.845 1.00 0.35 N ATOM 1301 CA TYR A 99 4.721 -4.944 2.290 1.00 0.29 C ATOM 1302 C TYR A 99 5.383 -3.733 1.652 1.00 0.31 C ATOM 1303 O TYR A 99 6.052 -2.945 2.313 1.00 0.32 O ATOM 1304 CB TYR A 99 5.501 -6.196 1.878 1.00 0.30 C ATOM 1305 CG TYR A 99 5.320 -7.413 2.763 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.264 -8.307 2.587 1.00 0.98 C ATOM 1307 CD2 TYR A 99 6.258 -7.702 3.741 1.00 0.64 C ATOM 1308 CE1 TYR A 99 4.153 -9.438 3.361 1.00 1.11 C ATOM 1309 CE2 TYR A 99 6.147 -8.827 4.527 1.00 0.71 C ATOM 1310 CZ TYR A 99 5.097 -9.691 4.335 1.00 0.72 C ATOM 1311 OH TYR A 99 4.998 -10.816 5.115 1.00 0.92 O ATOM 0 H TYR A 99 3.065 -5.914 1.442 1.00 0.35 H new ATOM 0 HA TYR A 99 4.728 -4.867 3.377 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.210 -6.463 0.862 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.562 -5.946 1.850 1.00 0.30 H new ATOM 0 HD1 TYR A 99 3.521 -8.107 1.830 1.00 0.98 H new ATOM 0 HD2 TYR A 99 7.092 -7.032 3.890 1.00 0.64 H new ATOM 0 HE1 TYR A 99 3.333 -10.124 3.208 1.00 1.11 H new ATOM 0 HE2 TYR A 99 6.883 -9.029 5.291 1.00 0.71 H new ATOM 0 HH TYR A 99 4.149 -11.269 4.930 1.00 0.92 H new ATOM 1321 N TYR A 100 5.155 -3.595 0.356 1.00 0.34 N ATOM 1322 CA TYR A 100 5.694 -2.497 -0.428 1.00 0.37 C ATOM 1323 C TYR A 100 5.159 -1.155 0.076 1.00 0.39 C ATOM 1324 O TYR A 100 5.876 -0.157 0.093 1.00 0.42 O ATOM 1325 CB TYR A 100 5.324 -2.717 -1.897 1.00 0.42 C ATOM 1326 CG TYR A 100 6.055 -1.831 -2.876 1.00 0.43 C ATOM 1327 CD1 TYR A 100 7.346 -2.138 -3.287 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.449 -0.703 -3.406 1.00 0.51 C ATOM 1329 CE1 TYR A 100 8.013 -1.342 -4.199 1.00 0.55 C ATOM 1330 CE2 TYR A 100 6.107 0.099 -4.315 1.00 0.60 C ATOM 1331 CZ TYR A 100 7.388 -0.224 -4.709 1.00 0.60 C ATOM 1332 OH TYR A 100 8.040 0.571 -5.624 1.00 0.73 O ATOM 0 H TYR A 100 4.587 -4.247 -0.185 1.00 0.34 H new ATOM 0 HA TYR A 100 6.779 -2.472 -0.326 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.521 -3.758 -2.154 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.252 -2.557 -2.015 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.837 -3.013 -2.887 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.445 -0.448 -3.102 1.00 0.51 H new ATOM 0 HE1 TYR A 100 9.016 -1.594 -4.510 1.00 0.55 H new ATOM 0 HE2 TYR A 100 5.621 0.976 -4.716 1.00 0.60 H new ATOM 0 HH TYR A 100 7.459 1.316 -5.883 1.00 0.73 H new ATOM 1342 N ARG A 101 3.899 -1.141 0.503 1.00 0.41 N ATOM 1343 CA ARG A 101 3.287 0.073 1.031 1.00 0.46 C ATOM 1344 C ARG A 101 3.938 0.483 2.350 1.00 0.43 C ATOM 1345 O ARG A 101 4.323 1.640 2.520 1.00 0.46 O ATOM 1346 CB ARG A 101 1.777 -0.102 1.230 1.00 0.53 C ATOM 1347 CG ARG A 101 1.002 -0.314 -0.062 1.00 0.82 C ATOM 1348 CD ARG A 101 1.226 0.824 -1.045 1.00 1.06 C ATOM 1349 NE ARG A 101 0.553 0.582 -2.321 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.848 1.206 -3.462 1.00 1.58 C ATOM 1351 NH1 ARG A 101 1.805 2.131 -3.505 1.00 2.34 N ATOM 1352 NH2 ARG A 101 0.180 0.896 -4.561 1.00 1.89 N ATOM 0 H ARG A 101 3.284 -1.955 0.493 1.00 0.41 H new ATOM 0 HA ARG A 101 3.449 0.862 0.296 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.604 -0.953 1.889 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.383 0.779 1.737 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.307 -1.255 -0.519 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.062 -0.398 0.161 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.860 1.755 -0.612 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.295 0.951 -1.216 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.194 -0.112 -2.339 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.322 2.370 -2.659 1.00 2.34 H new ATOM 0 HH12 ARG A 101 2.021 2.601 -4.384 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -0.552 0.186 -4.530 1.00 1.89 H new ATOM 0 HH22 ARG A 101 0.397 1.367 -5.440 1.00 1.89 H new ATOM 1366 N ARG A 102 4.076 -0.461 3.280 1.00 0.41 N ATOM 1367 CA ARG A 102 4.706 -0.153 4.559 1.00 0.43 C ATOM 1368 C ARG A 102 6.196 0.117 4.380 1.00 0.37 C ATOM 1369 O ARG A 102 6.773 0.937 5.093 1.00 0.38 O ATOM 1370 CB ARG A 102 4.468 -1.250 5.607 1.00 0.52 C ATOM 1371 CG ARG A 102 4.655 -2.669 5.110 1.00 0.87 C ATOM 1372 CD ARG A 102 4.744 -3.644 6.271 1.00 1.12 C ATOM 1373 NE ARG A 102 6.099 -3.715 6.799 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.426 -3.643 8.086 1.00 2.58 C ATOM 1375 NH1 ARG A 102 5.498 -3.445 9.013 1.00 2.78 N ATOM 1376 NH2 ARG A 102 7.702 -3.747 8.434 1.00 3.57 N ATOM 0 H ARG A 102 3.766 -1.427 3.174 1.00 0.41 H new ATOM 0 HA ARG A 102 4.233 0.754 4.937 1.00 0.43 H new ATOM 0 HB2 ARG A 102 5.146 -1.083 6.444 1.00 0.52 H new ATOM 0 HB3 ARG A 102 3.454 -1.148 5.992 1.00 0.52 H new ATOM 0 HG2 ARG A 102 3.823 -2.944 4.462 1.00 0.87 H new ATOM 0 HG3 ARG A 102 5.561 -2.731 4.508 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.059 -3.336 7.061 1.00 1.12 H new ATOM 0 HD3 ARG A 102 4.427 -4.634 5.943 1.00 1.12 H new ATOM 0 HE ARG A 102 6.859 -3.829 6.128 1.00 1.87 H new ATOM 0 HH11 ARG A 102 4.520 -3.346 8.742 1.00 2.78 H new ATOM 0 HH12 ARG A 102 5.763 -3.392 9.997 1.00 2.78 H new ATOM 0 HH21 ARG A 102 8.417 -3.880 7.718 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.968 -3.694 9.417 1.00 3.57 H new ATOM 1390 N ALA A 103 6.809 -0.555 3.412 1.00 0.34 N ATOM 1391 CA ALA A 103 8.193 -0.274 3.048 1.00 0.32 C ATOM 1392 C ALA A 103 8.339 1.188 2.648 1.00 0.33 C ATOM 1393 O ALA A 103 9.240 1.889 3.106 1.00 0.35 O ATOM 1394 CB ALA A 103 8.641 -1.165 1.902 1.00 0.33 C ATOM 0 H ALA A 103 6.371 -1.297 2.866 1.00 0.34 H new ATOM 0 HA ALA A 103 8.823 -0.478 3.914 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.676 -0.938 1.648 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.562 -2.210 2.201 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.007 -0.987 1.034 1.00 0.33 H new ATOM 1400 N ALA A 104 7.411 1.653 1.816 1.00 0.33 N ATOM 1401 CA ALA A 104 7.432 3.016 1.323 1.00 0.35 C ATOM 1402 C ALA A 104 7.135 3.987 2.449 1.00 0.35 C ATOM 1403 O ALA A 104 7.658 5.100 2.480 1.00 0.38 O ATOM 1404 CB ALA A 104 6.428 3.192 0.192 1.00 0.39 C ATOM 0 H ALA A 104 6.630 1.095 1.470 1.00 0.33 H new ATOM 0 HA ALA A 104 8.428 3.227 0.934 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.459 4.222 -0.165 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.679 2.517 -0.626 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.426 2.964 0.556 1.00 0.39 H new ATOM 1410 N SER A 105 6.298 3.553 3.383 1.00 0.34 N ATOM 1411 CA SER A 105 5.974 4.365 4.539 1.00 0.36 C ATOM 1412 C SER A 105 7.221 4.564 5.401 1.00 0.34 C ATOM 1413 O SER A 105 7.506 5.673 5.838 1.00 0.33 O ATOM 1414 CB SER A 105 4.851 3.724 5.354 1.00 0.40 C ATOM 1415 OG SER A 105 3.744 3.390 4.529 1.00 0.64 O ATOM 0 H SER A 105 5.834 2.645 3.359 1.00 0.34 H new ATOM 0 HA SER A 105 5.625 5.339 4.196 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.223 2.827 5.848 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.530 4.410 6.138 1.00 0.40 H new ATOM 0 HG SER A 105 3.989 2.647 3.938 1.00 0.64 H new ATOM 1421 N ASN A 106 7.982 3.488 5.606 1.00 0.36 N ATOM 1422 CA ASN A 106 9.225 3.559 6.375 1.00 0.37 C ATOM 1423 C ASN A 106 10.242 4.404 5.645 1.00 0.36 C ATOM 1424 O ASN A 106 10.931 5.228 6.249 1.00 0.37 O ATOM 1425 CB ASN A 106 9.802 2.163 6.618 1.00 0.40 C ATOM 1426 CG ASN A 106 9.107 1.423 7.746 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.576 2.166 8.707 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.046 0.196 7.756 1.00 1.32 N flip ATOM 0 H ASN A 106 7.760 2.558 5.251 1.00 0.36 H new ATOM 0 HA ASN A 106 8.997 4.014 7.339 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.721 1.578 5.702 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.864 2.250 6.848 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.467 -0.342 6.998 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.574 -0.285 8.522 1.00 1.32 H new ATOM 1435 N MET A 107 10.317 4.204 4.342 1.00 0.38 N ATOM 1436 CA MET A 107 11.230 4.953 3.503 1.00 0.40 C ATOM 1437 C MET A 107 10.931 6.445 3.596 1.00 0.40 C ATOM 1438 O MET A 107 11.832 7.263 3.773 1.00 0.45 O ATOM 1439 CB MET A 107 11.111 4.479 2.057 1.00 0.46 C ATOM 1440 CG MET A 107 12.334 4.788 1.224 1.00 0.44 C ATOM 1441 SD MET A 107 12.184 4.221 -0.480 1.00 1.26 S ATOM 1442 CE MET A 107 13.836 4.563 -1.077 1.00 0.70 C ATOM 0 H MET A 107 9.750 3.522 3.839 1.00 0.38 H new ATOM 0 HA MET A 107 12.249 4.783 3.849 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.936 3.403 2.048 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.240 4.948 1.599 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.509 5.864 1.229 1.00 0.44 H new ATOM 0 HG3 MET A 107 13.206 4.321 1.681 1.00 0.44 H new ATOM 0 HE1 MET A 107 13.798 5.368 -1.811 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.470 4.862 -0.242 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.247 3.667 -1.542 1.00 0.70 H new ATOM 1452 N ALA A 108 9.652 6.787 3.503 1.00 0.36 N ATOM 1453 CA ALA A 108 9.218 8.175 3.568 1.00 0.38 C ATOM 1454 C ALA A 108 9.390 8.752 4.973 1.00 0.39 C ATOM 1455 O ALA A 108 9.692 9.934 5.131 1.00 0.43 O ATOM 1456 CB ALA A 108 7.772 8.284 3.115 1.00 0.38 C ATOM 0 H ALA A 108 8.893 6.116 3.382 1.00 0.36 H new ATOM 0 HA ALA A 108 9.847 8.761 2.898 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.452 9.325 3.166 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.684 7.927 2.089 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.140 7.678 3.765 1.00 0.38 H new ATOM 1462 N LEU A 109 9.200 7.912 5.988 1.00 0.38 N ATOM 1463 CA LEU A 109 9.347 8.340 7.380 1.00 0.40 C ATOM 1464 C LEU A 109 10.804 8.641 7.722 1.00 0.43 C ATOM 1465 O LEU A 109 11.083 9.391 8.656 1.00 0.65 O ATOM 1466 CB LEU A 109 8.797 7.275 8.335 1.00 0.38 C ATOM 1467 CG LEU A 109 7.273 7.129 8.343 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.858 5.932 9.182 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.616 8.397 8.866 1.00 0.82 C ATOM 0 H LEU A 109 8.944 6.931 5.874 1.00 0.38 H new ATOM 0 HA LEU A 109 8.772 9.258 7.501 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.236 6.313 8.072 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.128 7.511 9.346 1.00 0.38 H new ATOM 0 HG LEU A 109 6.939 6.966 7.318 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.772 5.843 9.177 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.298 5.026 8.766 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.206 6.067 10.206 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.533 8.273 8.864 1.00 0.82 H new ATOM 0 HD22 LEU A 109 6.957 8.591 9.883 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.886 9.237 8.226 1.00 0.82 H new ATOM 1481 N GLY A 110 11.729 8.045 6.979 1.00 0.39 N ATOM 1482 CA GLY A 110 13.135 8.335 7.187 1.00 0.41 C ATOM 1483 C GLY A 110 13.930 7.123 7.624 1.00 0.39 C ATOM 1484 O GLY A 110 15.145 7.204 7.806 1.00 0.47 O ATOM 0 H GLY A 110 11.532 7.370 6.240 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.560 8.728 6.263 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.232 9.117 7.940 1.00 0.41 H new ATOM 1488 N LYS A 111 13.258 5.995 7.794 1.00 0.36 N ATOM 1489 CA LYS A 111 13.938 4.772 8.188 1.00 0.38 C ATOM 1490 C LYS A 111 14.113 3.841 6.991 1.00 0.30 C ATOM 1491 O LYS A 111 13.298 2.952 6.741 1.00 0.32 O ATOM 1492 CB LYS A 111 13.214 4.080 9.353 1.00 0.53 C ATOM 1493 CG LYS A 111 11.695 4.115 9.265 1.00 0.74 C ATOM 1494 CD LYS A 111 11.057 3.381 10.436 1.00 0.54 C ATOM 1495 CE LYS A 111 11.417 4.011 11.774 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.777 5.341 11.966 1.00 1.73 N ATOM 0 H LYS A 111 12.250 5.901 7.666 1.00 0.36 H new ATOM 0 HA LYS A 111 14.933 5.036 8.546 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.538 3.040 9.399 1.00 0.53 H new ATOM 0 HB3 LYS A 111 13.522 4.552 10.286 1.00 0.53 H new ATOM 0 HG2 LYS A 111 11.353 5.150 9.252 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.372 3.660 8.328 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.974 3.381 10.316 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.378 2.339 10.428 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.112 3.344 12.580 1.00 1.22 H new ATOM 0 HE3 LYS A 111 12.500 4.119 11.842 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.039 5.721 12.898 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 11.101 5.993 11.223 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.743 5.240 11.911 1.00 1.73 H new ATOM 1510 N PHE A 112 15.189 4.075 6.247 1.00 0.30 N ATOM 1511 CA PHE A 112 15.440 3.369 4.996 1.00 0.29 C ATOM 1512 C PHE A 112 15.871 1.924 5.221 1.00 0.30 C ATOM 1513 O PHE A 112 15.615 1.069 4.381 1.00 0.34 O ATOM 1514 CB PHE A 112 16.504 4.106 4.186 1.00 0.35 C ATOM 1515 CG PHE A 112 16.162 5.546 3.945 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.339 5.910 2.894 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.649 6.532 4.784 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.016 7.235 2.682 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.326 7.856 4.580 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.509 8.208 3.530 1.00 0.53 C ATOM 0 H PHE A 112 15.908 4.756 6.493 1.00 0.30 H new ATOM 0 HA PHE A 112 14.501 3.347 4.443 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.458 4.047 4.710 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.636 3.604 3.228 1.00 0.35 H new ATOM 0 HD1 PHE A 112 14.946 5.151 2.234 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.291 6.261 5.609 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.379 7.511 1.855 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.713 8.616 5.243 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.253 9.245 3.369 1.00 0.53 H new ATOM 1530 N ARG A 113 16.526 1.641 6.338 1.00 0.34 N ATOM 1531 CA ARG A 113 16.963 0.273 6.608 1.00 0.38 C ATOM 1532 C ARG A 113 15.766 -0.638 6.843 1.00 0.34 C ATOM 1533 O ARG A 113 15.734 -1.768 6.359 1.00 0.34 O ATOM 1534 CB ARG A 113 17.901 0.215 7.805 1.00 0.49 C ATOM 1535 CG ARG A 113 19.272 0.813 7.535 1.00 1.21 C ATOM 1536 CD ARG A 113 20.201 0.653 8.729 1.00 1.58 C ATOM 1537 NE ARG A 113 19.954 1.653 9.767 1.00 2.42 N ATOM 1538 CZ ARG A 113 19.723 1.365 11.046 1.00 3.14 C ATOM 1539 NH1 ARG A 113 19.614 0.103 11.448 1.00 3.25 N ATOM 1540 NH2 ARG A 113 19.594 2.349 11.923 1.00 4.15 N ATOM 0 H ARG A 113 16.764 2.321 7.060 1.00 0.34 H new ATOM 0 HA ARG A 113 17.507 -0.075 5.730 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.442 0.743 8.641 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.021 -0.824 8.111 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.714 0.331 6.663 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.167 1.871 7.295 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.076 -0.344 9.152 1.00 1.58 H new ATOM 0 HD3 ARG A 113 21.235 0.730 8.394 1.00 1.58 H new ATOM 0 HE ARG A 113 19.959 2.636 9.493 1.00 2.42 H new ATOM 0 HH11 ARG A 113 19.707 -0.657 10.774 1.00 3.25 H new ATOM 0 HH12 ARG A 113 19.437 -0.106 12.431 1.00 3.25 H new ATOM 0 HH21 ARG A 113 19.672 3.319 11.617 1.00 4.15 H new ATOM 0 HH22 ARG A 113 19.417 2.137 12.905 1.00 4.15 H new ATOM 1554 N ALA A 114 14.784 -0.140 7.583 1.00 0.34 N ATOM 1555 CA ALA A 114 13.554 -0.883 7.803 1.00 0.34 C ATOM 1556 C ALA A 114 12.827 -1.082 6.481 1.00 0.28 C ATOM 1557 O ALA A 114 12.373 -2.184 6.165 1.00 0.30 O ATOM 1558 CB ALA A 114 12.659 -0.161 8.800 1.00 0.40 C ATOM 0 H ALA A 114 14.816 0.772 8.039 1.00 0.34 H new ATOM 0 HA ALA A 114 13.805 -1.859 8.220 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.744 -0.735 8.950 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.182 -0.058 9.751 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.409 0.827 8.415 1.00 0.40 H new ATOM 1564 N ALA A 115 12.768 -0.009 5.696 1.00 0.26 N ATOM 1565 CA ALA A 115 12.141 -0.045 4.386 1.00 0.23 C ATOM 1566 C ALA A 115 12.841 -1.063 3.508 1.00 0.23 C ATOM 1567 O ALA A 115 12.205 -1.815 2.774 1.00 0.25 O ATOM 1568 CB ALA A 115 12.198 1.329 3.742 1.00 0.23 C ATOM 0 H ALA A 115 13.151 0.901 5.951 1.00 0.26 H new ATOM 0 HA ALA A 115 11.096 -0.334 4.500 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.725 1.291 2.761 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.672 2.047 4.370 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.238 1.636 3.632 1.00 0.23 H new ATOM 1574 N LEU A 116 14.164 -1.094 3.615 1.00 0.24 N ATOM 1575 CA LEU A 116 14.974 -2.008 2.831 1.00 0.28 C ATOM 1576 C LEU A 116 14.610 -3.453 3.127 1.00 0.29 C ATOM 1577 O LEU A 116 14.624 -4.286 2.234 1.00 0.30 O ATOM 1578 CB LEU A 116 16.461 -1.805 3.108 1.00 0.32 C ATOM 1579 CG LEU A 116 17.372 -2.612 2.184 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.191 -2.152 0.751 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.824 -2.503 2.607 1.00 0.49 C ATOM 0 H LEU A 116 14.698 -0.492 4.242 1.00 0.24 H new ATOM 0 HA LEU A 116 14.772 -1.792 1.782 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.700 -0.746 3.006 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.670 -2.080 4.142 1.00 0.32 H new ATOM 0 HG LEU A 116 17.091 -3.663 2.256 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.843 -2.731 0.098 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.154 -2.298 0.450 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.446 -1.095 0.673 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.445 -3.088 1.929 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.135 -1.459 2.574 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.937 -2.883 3.622 1.00 0.49 H new ATOM 1593 N ARG A 117 14.290 -3.745 4.382 1.00 0.34 N ATOM 1594 CA ARG A 117 13.941 -5.104 4.772 1.00 0.40 C ATOM 1595 C ARG A 117 12.657 -5.526 4.086 1.00 0.34 C ATOM 1596 O ARG A 117 12.545 -6.649 3.584 1.00 0.35 O ATOM 1597 CB ARG A 117 13.769 -5.215 6.282 1.00 0.57 C ATOM 1598 CG ARG A 117 14.974 -4.750 7.072 1.00 0.70 C ATOM 1599 CD ARG A 117 14.754 -4.959 8.556 1.00 1.01 C ATOM 1600 NE ARG A 117 14.860 -6.371 8.917 1.00 1.90 N ATOM 1601 CZ ARG A 117 13.860 -7.098 9.412 1.00 2.55 C ATOM 1602 NH1 ARG A 117 12.684 -6.537 9.672 1.00 2.45 N ATOM 1603 NH2 ARG A 117 14.050 -8.388 9.660 1.00 3.56 N ATOM 0 H ARG A 117 14.265 -3.064 5.141 1.00 0.34 H new ATOM 0 HA ARG A 117 14.755 -5.761 4.466 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.901 -4.629 6.583 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.557 -6.253 6.538 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.860 -5.298 6.750 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.161 -3.695 6.872 1.00 0.70 H new ATOM 0 HD2 ARG A 117 15.488 -4.382 9.119 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.770 -4.583 8.836 1.00 1.01 H new ATOM 0 HE ARG A 117 15.760 -6.831 8.781 1.00 1.90 H new ATOM 0 HH11 ARG A 117 12.542 -5.543 9.493 1.00 2.45 H new ATOM 0 HH12 ARG A 117 11.923 -7.100 10.051 1.00 2.45 H new ATOM 0 HH21 ARG A 117 14.957 -8.815 9.471 1.00 3.56 H new ATOM 0 HH22 ARG A 117 13.289 -8.952 10.039 1.00 3.56 H new ATOM 1617 N ASP A 118 11.694 -4.620 4.050 1.00 0.33 N ATOM 1618 CA ASP A 118 10.429 -4.899 3.410 1.00 0.33 C ATOM 1619 C ASP A 118 10.591 -4.945 1.897 1.00 0.28 C ATOM 1620 O ASP A 118 10.093 -5.860 1.248 1.00 0.31 O ATOM 1621 CB ASP A 118 9.374 -3.882 3.819 1.00 0.40 C ATOM 1622 CG ASP A 118 8.662 -4.285 5.093 1.00 0.63 C ATOM 1623 OD1 ASP A 118 9.136 -3.931 6.191 1.00 1.06 O ATOM 1624 OD2 ASP A 118 7.618 -4.965 5.003 1.00 0.77 O ATOM 0 H ASP A 118 11.768 -3.688 4.457 1.00 0.33 H new ATOM 0 HA ASP A 118 10.089 -5.880 3.743 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.844 -2.908 3.959 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.646 -3.772 3.016 1.00 0.40 H new ATOM 1629 N TYR A 119 11.316 -3.973 1.342 1.00 0.24 N ATOM 1630 CA TYR A 119 11.627 -3.967 -0.088 1.00 0.26 C ATOM 1631 C TYR A 119 12.363 -5.239 -0.482 1.00 0.28 C ATOM 1632 O TYR A 119 12.086 -5.834 -1.525 1.00 0.33 O ATOM 1633 CB TYR A 119 12.484 -2.756 -0.461 1.00 0.28 C ATOM 1634 CG TYR A 119 11.728 -1.449 -0.522 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.527 -1.348 -1.212 1.00 0.38 C ATOM 1636 CD2 TYR A 119 12.222 -0.314 0.101 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.840 -0.149 -1.276 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.546 0.887 0.040 1.00 0.47 C ATOM 1639 CZ TYR A 119 10.355 0.966 -0.648 1.00 0.50 C ATOM 1640 OH TYR A 119 9.684 2.166 -0.716 1.00 0.60 O ATOM 0 H TYR A 119 11.698 -3.181 1.860 1.00 0.24 H new ATOM 0 HA TYR A 119 10.681 -3.912 -0.627 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.292 -2.661 0.265 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.947 -2.939 -1.431 1.00 0.28 H new ATOM 0 HD1 TYR A 119 10.123 -2.219 -1.706 1.00 0.38 H new ATOM 0 HD2 TYR A 119 13.154 -0.371 0.644 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.906 -0.086 -1.814 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.949 1.761 0.529 1.00 0.47 H new ATOM 0 HH TYR A 119 10.327 2.904 -0.664 1.00 0.60 H new ATOM 1650 N GLU A 120 13.300 -5.648 0.362 1.00 0.28 N ATOM 1651 CA GLU A 120 14.074 -6.849 0.120 1.00 0.34 C ATOM 1652 C GLU A 120 13.163 -8.062 0.122 1.00 0.37 C ATOM 1653 O GLU A 120 13.243 -8.904 -0.759 1.00 0.43 O ATOM 1654 CB GLU A 120 15.172 -7.007 1.173 1.00 0.36 C ATOM 1655 CG GLU A 120 16.267 -7.966 0.743 1.00 0.42 C ATOM 1656 CD GLU A 120 17.399 -8.074 1.739 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.286 -8.888 2.678 1.00 0.61 O ATOM 1658 OE2 GLU A 120 18.413 -7.368 1.567 1.00 0.58 O ATOM 0 H GLU A 120 13.541 -5.160 1.224 1.00 0.28 H new ATOM 0 HA GLU A 120 14.549 -6.764 -0.857 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.611 -6.032 1.382 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.728 -7.363 2.103 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.834 -8.954 0.589 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.668 -7.640 -0.217 1.00 0.42 H new ATOM 1665 N THR A 121 12.288 -8.130 1.109 1.00 0.36 N ATOM 1666 CA THR A 121 11.311 -9.204 1.193 1.00 0.40 C ATOM 1667 C THR A 121 10.411 -9.212 -0.049 1.00 0.40 C ATOM 1668 O THR A 121 10.099 -10.271 -0.600 1.00 0.45 O ATOM 1669 CB THR A 121 10.467 -9.056 2.471 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.326 -9.104 3.619 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.415 -10.153 2.571 1.00 0.47 C ATOM 0 H THR A 121 12.233 -7.451 1.868 1.00 0.36 H new ATOM 0 HA THR A 121 11.842 -10.155 1.235 1.00 0.40 H new ATOM 0 HB THR A 121 9.951 -8.096 2.431 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.805 -8.253 3.705 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.836 -10.020 3.485 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.750 -10.099 1.709 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.905 -11.126 2.591 1.00 0.47 H new ATOM 1679 N VAL A 122 10.026 -8.021 -0.500 1.00 0.37 N ATOM 1680 CA VAL A 122 9.249 -7.866 -1.725 1.00 0.39 C ATOM 1681 C VAL A 122 9.994 -8.470 -2.919 1.00 0.44 C ATOM 1682 O VAL A 122 9.411 -9.192 -3.732 1.00 0.50 O ATOM 1683 CB VAL A 122 8.936 -6.372 -2.008 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.296 -6.190 -3.372 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.031 -5.799 -0.930 1.00 0.36 C ATOM 0 H VAL A 122 10.242 -7.142 -0.030 1.00 0.37 H new ATOM 0 HA VAL A 122 8.308 -8.398 -1.584 1.00 0.39 H new ATOM 0 HB VAL A 122 9.883 -5.832 -2.000 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.090 -5.133 -3.539 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.975 -6.553 -4.144 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.364 -6.753 -3.414 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.824 -4.751 -1.148 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.095 -6.356 -0.907 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.524 -5.878 0.039 1.00 0.36 H new ATOM 1695 N VAL A 123 11.293 -8.206 -2.995 1.00 0.44 N ATOM 1696 CA VAL A 123 12.099 -8.670 -4.115 1.00 0.51 C ATOM 1697 C VAL A 123 12.576 -10.111 -3.897 1.00 0.57 C ATOM 1698 O VAL A 123 13.201 -10.709 -4.770 1.00 0.67 O ATOM 1699 CB VAL A 123 13.299 -7.725 -4.366 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.436 -7.980 -3.389 1.00 0.48 C ATOM 1701 CG2 VAL A 123 13.778 -7.820 -5.809 1.00 0.59 C ATOM 0 H VAL A 123 11.809 -7.674 -2.295 1.00 0.44 H new ATOM 0 HA VAL A 123 11.468 -8.658 -5.003 1.00 0.51 H new ATOM 0 HB VAL A 123 12.951 -6.706 -4.193 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.258 -7.296 -3.600 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.083 -7.820 -2.370 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.783 -9.008 -3.495 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.622 -7.146 -5.957 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.089 -8.843 -6.023 1.00 0.59 H new ATOM 0 HG23 VAL A 123 12.967 -7.540 -6.481 1.00 0.59 H new ATOM 1711 N LYS A 124 12.280 -10.667 -2.726 1.00 0.55 N ATOM 1712 CA LYS A 124 12.525 -12.084 -2.475 1.00 0.61 C ATOM 1713 C LYS A 124 11.373 -12.901 -3.044 1.00 0.63 C ATOM 1714 O LYS A 124 11.554 -14.033 -3.496 1.00 0.72 O ATOM 1715 CB LYS A 124 12.652 -12.375 -0.974 1.00 0.62 C ATOM 1716 CG LYS A 124 13.835 -11.711 -0.291 1.00 0.67 C ATOM 1717 CD LYS A 124 13.805 -11.968 1.209 1.00 0.75 C ATOM 1718 CE LYS A 124 14.682 -10.985 1.967 1.00 0.67 C ATOM 1719 NZ LYS A 124 16.132 -11.195 1.710 1.00 1.07 N ATOM 0 H LYS A 124 11.872 -10.161 -1.940 1.00 0.55 H new ATOM 0 HA LYS A 124 13.464 -12.357 -2.958 1.00 0.61 H new ATOM 0 HB2 LYS A 124 11.737 -12.052 -0.478 1.00 0.62 H new ATOM 0 HB3 LYS A 124 12.728 -13.453 -0.833 1.00 0.62 H new ATOM 0 HG2 LYS A 124 14.765 -12.093 -0.712 1.00 0.67 H new ATOM 0 HG3 LYS A 124 13.816 -10.638 -0.481 1.00 0.67 H new ATOM 0 HD2 LYS A 124 12.779 -11.894 1.570 1.00 0.75 H new ATOM 0 HD3 LYS A 124 14.141 -12.985 1.410 1.00 0.75 H new ATOM 0 HE2 LYS A 124 14.410 -9.968 1.684 1.00 0.67 H new ATOM 0 HE3 LYS A 124 14.489 -11.081 3.035 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 16.678 -10.429 2.154 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 16.427 -12.108 2.111 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 16.306 -11.195 0.685 1.00 1.07 H new ATOM 1733 N VAL A 125 10.186 -12.311 -3.013 1.00 0.59 N ATOM 1734 CA VAL A 125 8.984 -12.988 -3.482 1.00 0.63 C ATOM 1735 C VAL A 125 8.816 -12.816 -4.986 1.00 0.69 C ATOM 1736 O VAL A 125 8.416 -13.747 -5.686 1.00 0.75 O ATOM 1737 CB VAL A 125 7.728 -12.482 -2.742 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.469 -13.156 -3.271 1.00 0.66 C ATOM 1739 CG2 VAL A 125 7.872 -12.729 -1.251 1.00 0.59 C ATOM 0 H VAL A 125 10.029 -11.364 -2.668 1.00 0.59 H new ATOM 0 HA VAL A 125 9.100 -14.050 -3.264 1.00 0.63 H new ATOM 0 HB VAL A 125 7.634 -11.411 -2.920 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.600 -12.780 -2.731 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.358 -12.938 -4.333 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.546 -14.234 -3.128 1.00 0.66 H new ATOM 0 HG21 VAL A 125 6.982 -12.369 -0.735 1.00 0.59 H new ATOM 0 HG22 VAL A 125 7.990 -13.797 -1.069 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.747 -12.198 -0.877 1.00 0.59 H new ATOM 1749 N LYS A 126 9.136 -11.633 -5.487 1.00 0.68 N ATOM 1750 CA LYS A 126 9.122 -11.396 -6.921 1.00 0.76 C ATOM 1751 C LYS A 126 10.372 -10.639 -7.360 1.00 0.75 C ATOM 1752 O LYS A 126 10.337 -9.440 -7.626 1.00 0.73 O ATOM 1753 CB LYS A 126 7.828 -10.699 -7.384 1.00 0.80 C ATOM 1754 CG LYS A 126 7.141 -9.818 -6.343 1.00 0.73 C ATOM 1755 CD LYS A 126 7.519 -8.355 -6.491 1.00 0.71 C ATOM 1756 CE LYS A 126 6.371 -7.438 -6.088 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.659 -6.011 -6.395 1.00 1.12 N ATOM 0 H LYS A 126 9.407 -10.826 -4.925 1.00 0.68 H new ATOM 0 HA LYS A 126 9.135 -12.368 -7.414 1.00 0.76 H new ATOM 0 HB2 LYS A 126 8.059 -10.087 -8.256 1.00 0.80 H new ATOM 0 HB3 LYS A 126 7.122 -11.463 -7.709 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.060 -9.924 -6.436 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.410 -10.162 -5.344 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.392 -8.140 -5.875 1.00 0.71 H new ATOM 0 HD3 LYS A 126 7.801 -8.154 -7.524 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.464 -7.744 -6.608 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.178 -7.547 -5.021 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.765 -5.498 -6.530 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.186 -5.586 -5.606 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.228 -5.951 -7.264 1.00 1.12 H new ATOM 1771 N PRO A 127 11.505 -11.358 -7.426 1.00 0.80 N ATOM 1772 CA PRO A 127 12.800 -10.796 -7.834 1.00 0.83 C ATOM 1773 C PRO A 127 12.796 -10.347 -9.284 1.00 0.92 C ATOM 1774 O PRO A 127 13.545 -9.460 -9.682 1.00 0.96 O ATOM 1775 CB PRO A 127 13.787 -11.956 -7.674 1.00 0.87 C ATOM 1776 CG PRO A 127 13.072 -13.014 -6.903 1.00 0.97 C ATOM 1777 CD PRO A 127 11.602 -12.786 -7.090 1.00 0.86 C ATOM 0 HA PRO A 127 13.049 -9.918 -7.238 1.00 0.83 H new ATOM 0 HB2 PRO A 127 14.105 -12.332 -8.646 1.00 0.87 H new ATOM 0 HB3 PRO A 127 14.685 -11.632 -7.148 1.00 0.87 H new ATOM 0 HG2 PRO A 127 13.355 -14.005 -7.257 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.337 -12.965 -5.847 1.00 0.97 H new ATOM 0 HD2 PRO A 127 11.199 -13.412 -7.886 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.043 -13.022 -6.185 1.00 0.86 H new ATOM 1785 N HIS A 128 11.947 -10.986 -10.067 1.00 0.99 N ATOM 1786 CA HIS A 128 11.838 -10.702 -11.493 1.00 1.12 C ATOM 1787 C HIS A 128 11.013 -9.449 -11.748 1.00 1.04 C ATOM 1788 O HIS A 128 10.838 -9.040 -12.892 1.00 1.11 O ATOM 1789 CB HIS A 128 11.194 -11.887 -12.223 1.00 1.33 C ATOM 1790 CG HIS A 128 9.839 -12.273 -11.692 1.00 2.00 C ATOM 1791 ND1 HIS A 128 8.680 -11.589 -11.995 1.00 2.75 N ATOM 1792 CD2 HIS A 128 9.469 -13.277 -10.859 1.00 2.49 C ATOM 1793 CE1 HIS A 128 7.662 -12.153 -11.371 1.00 3.56 C ATOM 1794 NE2 HIS A 128 8.115 -13.178 -10.676 1.00 3.37 N ATOM 0 H HIS A 128 11.314 -11.715 -9.738 1.00 0.99 H new ATOM 0 HA HIS A 128 12.846 -10.538 -11.873 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.101 -11.641 -13.281 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.859 -12.748 -12.153 1.00 1.33 H new ATOM 0 HD2 HIS A 128 10.121 -14.018 -10.421 1.00 2.49 H new ATOM 0 HE1 HIS A 128 6.633 -11.830 -11.421 1.00 3.56 H new ATOM 0 HE2 HIS A 128 7.549 -13.797 -10.096 1.00 3.37 H new ATOM 1803 N ASP A 129 10.504 -8.845 -10.688 1.00 0.92 N ATOM 1804 CA ASP A 129 9.576 -7.738 -10.838 1.00 0.89 C ATOM 1805 C ASP A 129 10.269 -6.387 -10.712 1.00 0.83 C ATOM 1806 O ASP A 129 10.973 -6.114 -9.740 1.00 0.80 O ATOM 1807 CB ASP A 129 8.439 -7.853 -9.832 1.00 0.89 C ATOM 1808 CG ASP A 129 7.509 -6.666 -9.892 1.00 0.89 C ATOM 1809 OD1 ASP A 129 6.897 -6.434 -10.956 1.00 1.09 O ATOM 1810 OD2 ASP A 129 7.407 -5.952 -8.878 1.00 1.11 O ATOM 0 H ASP A 129 10.715 -9.099 -9.723 1.00 0.92 H new ATOM 0 HA ASP A 129 9.163 -7.796 -11.845 1.00 0.89 H new ATOM 0 HB2 ASP A 129 7.875 -8.766 -10.025 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.852 -7.940 -8.827 1.00 0.89 H new ATOM 1815 N LYS A 130 10.053 -5.562 -11.726 1.00 0.85 N ATOM 1816 CA LYS A 130 10.581 -4.203 -11.799 1.00 0.89 C ATOM 1817 C LYS A 130 10.201 -3.374 -10.575 1.00 0.84 C ATOM 1818 O LYS A 130 11.025 -2.634 -10.040 1.00 0.84 O ATOM 1819 CB LYS A 130 10.033 -3.527 -13.056 1.00 1.04 C ATOM 1820 CG LYS A 130 8.512 -3.582 -13.136 1.00 1.18 C ATOM 1821 CD LYS A 130 7.980 -3.100 -14.470 1.00 1.44 C ATOM 1822 CE LYS A 130 6.465 -3.197 -14.505 1.00 2.28 C ATOM 1823 NZ LYS A 130 5.923 -3.042 -15.877 1.00 3.05 N ATOM 0 H LYS A 130 9.495 -5.822 -12.539 1.00 0.85 H new ATOM 0 HA LYS A 130 11.669 -4.264 -11.832 1.00 0.89 H new ATOM 0 HB2 LYS A 130 10.357 -2.486 -13.075 1.00 1.04 H new ATOM 0 HB3 LYS A 130 10.457 -4.009 -13.937 1.00 1.04 H new ATOM 0 HG2 LYS A 130 8.180 -4.606 -12.965 1.00 1.18 H new ATOM 0 HG3 LYS A 130 8.088 -2.972 -12.338 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.288 -2.068 -14.640 1.00 1.44 H new ATOM 0 HD3 LYS A 130 8.407 -3.697 -15.276 1.00 1.44 H new ATOM 0 HE2 LYS A 130 6.155 -4.161 -14.101 1.00 2.28 H new ATOM 0 HE3 LYS A 130 6.039 -2.429 -13.859 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 4.886 -3.115 -15.851 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.195 -2.112 -16.255 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 6.308 -3.790 -16.489 1.00 3.05 H new ATOM 1837 N ASP A 131 8.951 -3.505 -10.146 1.00 0.86 N ATOM 1838 CA ASP A 131 8.419 -2.720 -9.038 1.00 0.90 C ATOM 1839 C ASP A 131 9.167 -3.055 -7.758 1.00 0.77 C ATOM 1840 O ASP A 131 9.526 -2.176 -6.976 1.00 0.80 O ATOM 1841 CB ASP A 131 6.923 -3.007 -8.892 1.00 1.05 C ATOM 1842 CG ASP A 131 6.249 -2.183 -7.814 1.00 1.45 C ATOM 1843 OD1 ASP A 131 5.786 -1.061 -8.119 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.143 -2.670 -6.670 1.00 1.82 O ATOM 0 H ASP A 131 8.280 -4.156 -10.554 1.00 0.86 H new ATOM 0 HA ASP A 131 8.555 -1.657 -9.238 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.430 -2.815 -9.845 1.00 1.05 H new ATOM 0 HB3 ASP A 131 6.785 -4.065 -8.669 1.00 1.05 H new ATOM 1849 N ALA A 132 9.429 -4.341 -7.575 1.00 0.69 N ATOM 1850 CA ALA A 132 10.205 -4.812 -6.444 1.00 0.62 C ATOM 1851 C ALA A 132 11.647 -4.342 -6.544 1.00 0.59 C ATOM 1852 O ALA A 132 12.190 -3.790 -5.588 1.00 0.56 O ATOM 1853 CB ALA A 132 10.157 -6.327 -6.366 1.00 0.65 C ATOM 0 H ALA A 132 9.111 -5.080 -8.202 1.00 0.69 H new ATOM 0 HA ALA A 132 9.768 -4.396 -5.536 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.744 -6.666 -5.512 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.123 -6.653 -6.248 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.569 -6.752 -7.281 1.00 0.65 H new ATOM 1859 N LYS A 133 12.258 -4.567 -7.705 1.00 0.63 N ATOM 1860 CA LYS A 133 13.637 -4.152 -7.930 1.00 0.66 C ATOM 1861 C LYS A 133 13.802 -2.671 -7.657 1.00 0.65 C ATOM 1862 O LYS A 133 14.507 -2.289 -6.732 1.00 0.63 O ATOM 1863 CB LYS A 133 14.089 -4.420 -9.366 1.00 0.74 C ATOM 1864 CG LYS A 133 14.095 -5.877 -9.774 1.00 0.75 C ATOM 1865 CD LYS A 133 14.793 -6.050 -11.114 1.00 0.95 C ATOM 1866 CE LYS A 133 14.652 -7.459 -11.654 1.00 1.21 C ATOM 1867 NZ LYS A 133 15.458 -7.661 -12.887 1.00 1.93 N ATOM 0 H LYS A 133 11.821 -5.032 -8.500 1.00 0.63 H new ATOM 0 HA LYS A 133 14.250 -4.738 -7.245 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.436 -3.871 -10.045 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.094 -4.018 -9.496 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.601 -6.472 -9.014 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.072 -6.247 -9.839 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.377 -5.344 -11.833 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.850 -5.808 -11.005 1.00 0.95 H new ATOM 0 HE2 LYS A 133 14.967 -8.173 -10.893 1.00 1.21 H new ATOM 0 HE3 LYS A 133 13.603 -7.663 -11.868 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 15.335 -8.637 -13.226 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 15.141 -6.997 -13.622 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.462 -7.491 -12.677 1.00 1.93 H new ATOM 1881 N MET A 134 13.103 -1.861 -8.449 1.00 0.68 N ATOM 1882 CA MET A 134 13.296 -0.412 -8.485 1.00 0.72 C ATOM 1883 C MET A 134 13.522 0.188 -7.103 1.00 0.65 C ATOM 1884 O MET A 134 14.519 0.872 -6.880 1.00 0.68 O ATOM 1885 CB MET A 134 12.089 0.261 -9.145 1.00 0.78 C ATOM 1886 CG MET A 134 12.170 1.781 -9.161 1.00 0.84 C ATOM 1887 SD MET A 134 10.682 2.553 -9.835 1.00 0.97 S ATOM 1888 CE MET A 134 10.702 1.913 -11.508 1.00 1.61 C ATOM 0 H MET A 134 12.381 -2.193 -9.089 1.00 0.68 H new ATOM 0 HA MET A 134 14.197 -0.228 -9.070 1.00 0.72 H new ATOM 0 HB2 MET A 134 11.998 -0.100 -10.169 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.183 -0.040 -8.619 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.334 2.142 -8.146 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.033 2.088 -9.752 1.00 0.84 H new ATOM 0 HE1 MET A 134 10.403 2.699 -12.202 1.00 1.61 H new ATOM 0 HE2 MET A 134 11.708 1.574 -11.756 1.00 1.61 H new ATOM 0 HE3 MET A 134 10.008 1.076 -11.586 1.00 1.61 H new ATOM 1898 N LYS A 135 12.616 -0.087 -6.174 1.00 0.59 N ATOM 1899 CA LYS A 135 12.696 0.511 -4.850 1.00 0.54 C ATOM 1900 C LYS A 135 13.621 -0.266 -3.922 1.00 0.48 C ATOM 1901 O LYS A 135 14.157 0.302 -2.974 1.00 0.46 O ATOM 1902 CB LYS A 135 11.306 0.661 -4.238 1.00 0.54 C ATOM 1903 CG LYS A 135 10.678 2.022 -4.502 1.00 0.65 C ATOM 1904 CD LYS A 135 10.629 2.338 -5.987 1.00 0.76 C ATOM 1905 CE LYS A 135 10.084 3.732 -6.255 1.00 1.05 C ATOM 1906 NZ LYS A 135 10.932 4.797 -5.648 1.00 1.94 N ATOM 0 H LYS A 135 11.824 -0.715 -6.312 1.00 0.59 H new ATOM 0 HA LYS A 135 13.129 1.504 -4.971 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.654 -0.116 -4.638 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.371 0.501 -3.162 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.668 2.043 -4.092 1.00 0.65 H new ATOM 0 HG3 LYS A 135 11.249 2.793 -3.984 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.630 2.253 -6.409 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.006 1.601 -6.494 1.00 0.76 H new ATOM 0 HE2 LYS A 135 10.017 3.893 -7.331 1.00 1.05 H new ATOM 0 HE3 LYS A 135 9.072 3.806 -5.858 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 10.633 5.726 -6.008 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 10.827 4.776 -4.613 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 11.928 4.633 -5.899 1.00 1.94 H new ATOM 1920 N TYR A 136 13.828 -1.549 -4.193 1.00 0.48 N ATOM 1921 CA TYR A 136 14.810 -2.317 -3.440 1.00 0.46 C ATOM 1922 C TYR A 136 16.195 -1.738 -3.670 1.00 0.47 C ATOM 1923 O TYR A 136 16.915 -1.422 -2.727 1.00 0.48 O ATOM 1924 CB TYR A 136 14.817 -3.794 -3.841 1.00 0.48 C ATOM 1925 CG TYR A 136 15.929 -4.573 -3.171 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.052 -4.584 -1.788 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.866 -5.278 -3.917 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.074 -5.274 -1.166 1.00 0.51 C ATOM 1929 CE2 TYR A 136 17.888 -5.978 -3.301 1.00 0.57 C ATOM 1930 CZ TYR A 136 17.989 -5.969 -1.924 1.00 0.54 C ATOM 1931 OH TYR A 136 19.009 -6.659 -1.302 1.00 0.59 O ATOM 0 H TYR A 136 13.337 -2.073 -4.918 1.00 0.48 H new ATOM 0 HA TYR A 136 14.536 -2.253 -2.387 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.857 -4.242 -3.582 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.924 -3.873 -4.923 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.335 -4.043 -1.188 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.795 -5.279 -4.995 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.155 -5.268 -0.089 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.603 -6.529 -3.894 1.00 0.57 H new ATOM 0 HH TYR A 136 18.753 -6.857 -0.377 1.00 0.59 H new ATOM 1941 N GLN A 137 16.544 -1.592 -4.937 1.00 0.49 N ATOM 1942 CA GLN A 137 17.847 -1.081 -5.330 1.00 0.51 C ATOM 1943 C GLN A 137 17.968 0.365 -4.899 1.00 0.53 C ATOM 1944 O GLN A 137 19.011 0.806 -4.423 1.00 0.57 O ATOM 1945 CB GLN A 137 18.005 -1.189 -6.843 1.00 0.55 C ATOM 1946 CG GLN A 137 17.202 -2.332 -7.432 1.00 0.61 C ATOM 1947 CD GLN A 137 17.585 -2.692 -8.841 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.131 -2.077 -9.804 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.359 -3.745 -8.968 1.00 1.24 N ATOM 0 H GLN A 137 15.934 -1.824 -5.721 1.00 0.49 H new ATOM 0 HA GLN A 137 18.631 -1.667 -4.850 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.691 -0.253 -7.305 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.059 -1.327 -7.086 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.323 -3.211 -6.799 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.145 -2.067 -7.411 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.711 -4.222 -8.138 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.608 -4.086 -9.897 1.00 1.24 H new ATOM 1958 N GLU A 138 16.867 1.083 -5.064 1.00 0.53 N ATOM 1959 CA GLU A 138 16.756 2.463 -4.636 1.00 0.57 C ATOM 1960 C GLU A 138 17.055 2.601 -3.146 1.00 0.54 C ATOM 1961 O GLU A 138 17.842 3.454 -2.748 1.00 0.60 O ATOM 1962 CB GLU A 138 15.350 2.957 -4.942 1.00 0.60 C ATOM 1963 CG GLU A 138 15.013 4.311 -4.347 1.00 0.69 C ATOM 1964 CD GLU A 138 14.886 5.385 -5.400 1.00 1.33 C ATOM 1965 OE1 GLU A 138 15.910 6.018 -5.734 1.00 1.46 O ATOM 1966 OE2 GLU A 138 13.759 5.608 -5.891 1.00 2.04 O ATOM 0 H GLU A 138 16.021 0.718 -5.502 1.00 0.53 H new ATOM 0 HA GLU A 138 17.487 3.066 -5.175 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.225 3.009 -6.024 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.633 2.224 -4.573 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.078 4.238 -3.791 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.787 4.595 -3.634 1.00 0.69 H new ATOM 1973 N CYS A 139 16.436 1.763 -2.330 1.00 0.47 N ATOM 1974 CA CYS A 139 16.647 1.826 -0.895 1.00 0.44 C ATOM 1975 C CYS A 139 18.031 1.298 -0.544 1.00 0.43 C ATOM 1976 O CYS A 139 18.716 1.857 0.309 1.00 0.42 O ATOM 1977 CB CYS A 139 15.578 1.025 -0.151 1.00 0.42 C ATOM 1978 SG CYS A 139 15.182 1.680 1.484 1.00 1.06 S ATOM 0 H CYS A 139 15.788 1.037 -2.635 1.00 0.47 H new ATOM 0 HA CYS A 139 16.573 2.869 -0.586 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.670 1.003 -0.753 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.917 -0.006 -0.047 1.00 0.42 H new ATOM 0 HG CYS A 139 15.777 0.966 2.393 1.00 1.06 H new ATOM 1984 N ASN A 140 18.438 0.229 -1.224 1.00 0.45 N ATOM 1985 CA ASN A 140 19.746 -0.380 -1.002 1.00 0.48 C ATOM 1986 C ASN A 140 20.850 0.648 -1.199 1.00 0.52 C ATOM 1987 O ASN A 140 21.691 0.851 -0.319 1.00 0.54 O ATOM 1988 CB ASN A 140 19.958 -1.575 -1.947 1.00 0.52 C ATOM 1989 CG ASN A 140 21.318 -2.230 -1.771 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.881 -2.247 -0.676 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.853 -2.779 -2.851 1.00 1.13 N ATOM 0 H ASN A 140 17.876 -0.236 -1.938 1.00 0.45 H new ATOM 0 HA ASN A 140 19.783 -0.742 0.025 1.00 0.48 H new ATOM 0 HB2 ASN A 140 19.178 -2.315 -1.770 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.852 -1.240 -2.979 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.763 -3.237 -2.793 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.355 -2.744 -3.741 1.00 1.13 H new ATOM 1998 N LYS A 141 20.833 1.321 -2.342 1.00 0.56 N ATOM 1999 CA LYS A 141 21.820 2.347 -2.614 1.00 0.63 C ATOM 2000 C LYS A 141 21.709 3.478 -1.600 1.00 0.60 C ATOM 2001 O LYS A 141 22.721 3.978 -1.131 1.00 0.65 O ATOM 2002 CB LYS A 141 21.690 2.902 -4.035 1.00 0.70 C ATOM 2003 CG LYS A 141 20.353 3.553 -4.325 1.00 0.69 C ATOM 2004 CD LYS A 141 20.410 4.398 -5.580 1.00 0.81 C ATOM 2005 CE LYS A 141 19.042 4.936 -5.959 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.458 5.799 -4.899 1.00 1.15 N ATOM 0 H LYS A 141 20.152 1.174 -3.087 1.00 0.56 H new ATOM 0 HA LYS A 141 22.802 1.882 -2.527 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.482 3.633 -4.202 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.849 2.091 -4.746 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.589 2.784 -4.437 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.058 4.174 -3.479 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.098 5.229 -5.428 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.807 3.802 -6.402 1.00 0.81 H new ATOM 0 HE2 LYS A 141 19.123 5.506 -6.884 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.369 4.102 -6.156 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.717 6.402 -5.311 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 18.045 5.202 -4.154 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.203 6.398 -4.489 1.00 1.15 H new ATOM 2020 N ILE A 142 20.476 3.852 -1.239 1.00 0.54 N ATOM 2021 CA ILE A 142 20.254 4.965 -0.320 1.00 0.52 C ATOM 2022 C ILE A 142 20.789 4.658 1.074 1.00 0.49 C ATOM 2023 O ILE A 142 21.329 5.537 1.747 1.00 0.51 O ATOM 2024 CB ILE A 142 18.771 5.383 -0.255 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.393 6.099 -1.551 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.519 6.286 0.942 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.962 6.595 -1.587 1.00 0.60 C ATOM 0 H ILE A 142 19.623 3.400 -1.569 1.00 0.54 H new ATOM 0 HA ILE A 142 20.814 5.810 -0.720 1.00 0.52 H new ATOM 0 HB ILE A 142 18.154 4.492 -0.139 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.064 6.946 -1.695 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.552 5.420 -2.389 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.467 6.569 0.969 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.776 5.755 1.859 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.134 7.182 0.858 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.773 7.091 -2.539 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.281 5.751 -1.476 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.801 7.300 -0.772 1.00 0.60 H new ATOM 2039 N VAL A 143 20.665 3.411 1.497 1.00 0.46 N ATOM 2040 CA VAL A 143 21.272 2.985 2.744 1.00 0.47 C ATOM 2041 C VAL A 143 22.777 3.236 2.698 1.00 0.56 C ATOM 2042 O VAL A 143 23.371 3.688 3.672 1.00 0.59 O ATOM 2043 CB VAL A 143 20.999 1.496 3.043 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.774 1.053 4.271 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.510 1.253 3.243 1.00 0.41 C ATOM 0 H VAL A 143 20.154 2.682 0.999 1.00 0.46 H new ATOM 0 HA VAL A 143 20.822 3.569 3.546 1.00 0.47 H new ATOM 0 HB VAL A 143 21.332 0.908 2.188 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.571 0.001 4.469 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.841 1.190 4.097 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.467 1.650 5.130 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.339 0.197 3.453 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.153 1.852 4.081 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.971 1.536 2.339 1.00 0.41 H new ATOM 2055 N LYS A 144 23.378 2.979 1.541 1.00 0.63 N ATOM 2056 CA LYS A 144 24.810 3.201 1.361 1.00 0.74 C ATOM 2057 C LYS A 144 25.118 4.680 1.194 1.00 0.76 C ATOM 2058 O LYS A 144 26.239 5.120 1.454 1.00 0.85 O ATOM 2059 CB LYS A 144 25.324 2.443 0.143 1.00 0.84 C ATOM 2060 CG LYS A 144 24.768 1.044 0.035 1.00 0.83 C ATOM 2061 CD LYS A 144 25.430 0.261 -1.085 1.00 1.10 C ATOM 2062 CE LYS A 144 25.031 0.792 -2.449 1.00 1.57 C ATOM 2063 NZ LYS A 144 25.873 0.220 -3.534 1.00 2.23 N ATOM 0 H LYS A 144 22.899 2.618 0.716 1.00 0.63 H new ATOM 0 HA LYS A 144 25.312 2.833 2.256 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.067 3.000 -0.758 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.412 2.392 0.187 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.913 0.521 0.980 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.693 1.092 -0.141 1.00 0.83 H new ATOM 0 HD2 LYS A 144 26.513 0.314 -0.976 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.153 -0.790 -1.008 1.00 1.10 H new ATOM 0 HE2 LYS A 144 23.984 0.555 -2.639 1.00 1.57 H new ATOM 0 HE3 LYS A 144 25.119 1.878 -2.456 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 25.569 0.607 -4.450 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 26.869 0.467 -3.367 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 25.770 -0.815 -3.544 1.00 2.23 H new ATOM 2077 N GLN A 145 24.135 5.444 0.737 1.00 0.70 N ATOM 2078 CA GLN A 145 24.282 6.889 0.675 1.00 0.74 C ATOM 2079 C GLN A 145 24.450 7.420 2.087 1.00 0.75 C ATOM 2080 O GLN A 145 25.059 8.462 2.319 1.00 0.84 O ATOM 2081 CB GLN A 145 23.062 7.548 0.042 1.00 0.71 C ATOM 2082 CG GLN A 145 22.568 6.850 -1.203 1.00 0.72 C ATOM 2083 CD GLN A 145 23.455 7.037 -2.412 1.00 0.94 C ATOM 2084 OE1 GLN A 145 24.674 7.170 -2.303 1.00 1.36 O ATOM 2085 NE2 GLN A 145 22.838 7.067 -3.580 1.00 1.27 N ATOM 0 H GLN A 145 23.237 5.091 0.407 1.00 0.70 H new ATOM 0 HA GLN A 145 25.152 7.122 0.061 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.256 7.577 0.775 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.306 8.581 -0.205 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.476 5.784 -0.996 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.569 7.217 -1.439 1.00 0.72 H new ATOM 0 HE21 GLN A 145 21.825 6.953 -3.625 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.374 7.205 -4.437 1.00 1.27 H new ATOM 2094 N LYS A 146 23.882 6.680 3.023 1.00 0.67 N ATOM 2095 CA LYS A 146 23.919 7.039 4.422 1.00 0.70 C ATOM 2096 C LYS A 146 25.108 6.396 5.130 1.00 0.84 C ATOM 2097 O LYS A 146 26.019 7.088 5.591 1.00 0.94 O ATOM 2098 CB LYS A 146 22.615 6.612 5.088 1.00 0.58 C ATOM 2099 CG LYS A 146 21.399 7.373 4.583 1.00 0.58 C ATOM 2100 CD LYS A 146 20.109 6.846 5.191 1.00 0.64 C ATOM 2101 CE LYS A 146 20.054 7.069 6.694 1.00 1.40 C ATOM 2102 NZ LYS A 146 20.104 8.511 7.054 1.00 1.73 N ATOM 0 H LYS A 146 23.382 5.812 2.830 1.00 0.67 H new ATOM 0 HA LYS A 146 24.034 8.120 4.499 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.462 5.546 4.920 1.00 0.58 H new ATOM 0 HB3 LYS A 146 22.702 6.755 6.165 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.508 8.431 4.822 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.347 7.295 3.497 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.259 7.339 4.720 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.017 5.781 4.979 1.00 0.64 H new ATOM 0 HE2 LYS A 146 19.139 6.630 7.091 1.00 1.40 H new ATOM 0 HE3 LYS A 146 20.888 6.550 7.167 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 19.845 8.628 8.054 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 21.066 8.874 6.901 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 19.435 9.041 6.459 1.00 1.73 H new