USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=37 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 140 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Set 1.2: A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 MET CE :methyl -121:sc= -1.31 (180deg=-3.2!) USER MOD Set 2.2: A 139 CYS SG : rot -78:sc= 0.0444 USER MOD Set 3.1: A 100 TYR OH : rot 79:sc= 2.02 USER MOD Set 3.2: A 135 LYS NZ :NH3+ -142:sc= 1.19 (180deg=-0.602) USER MOD Set 4.1: A 94 LYS NZ :NH3+ 151:sc= 1.02 (180deg=-0.762) USER MOD Set 4.2: A 99 TYR OH : rot 29:sc= 1.01 USER MOD Set 5.1: A 75 THR OG1 : rot 125:sc= 1.16 USER MOD Set 5.2: A 77 CYS SG : rot 180:sc= 0.607 USER MOD Set 6.1: A 51 TYR OH : rot 180:sc= -0.0135 USER MOD Set 6.2: A 67 ASN : amide:sc= -0.756 X(o=-0.77,f=-0.81!) USER MOD Set 7.1: A 46 ASN : amide:sc= -0.255! K(o=0.35!,f=-2.2) USER MOD Set 7.2: A 49 LYS NZ :NH3+ -130:sc= 0.601 (180deg=0) 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 66:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= 0.559 K(o=0.56,f=-0.96) USER MOD Single : A 36 ASN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= -0.643! (180deg=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000722) USER MOD Single : A 44 TYR OH : rot 30:sc= 0.496 USER MOD Single : A 52 SER OG : rot 91:sc= 2.26 USER MOD Single : A 53 GLN : amide:sc= -0.424 K(o=-0.42,f=-2.1) USER MOD Single : A 58 ASN : amide:sc= -3.48 K(o=-3.5,f=-8.9!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.369 USER MOD Single : A 61 ASN : amide:sc= -3.29! C(o=-3.3!,f=-9.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= -0.23 USER MOD Single : A 69 SER OG : rot -80:sc= 0.708 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= -0.0121 F(o=-1.2,f=-0.012) USER MOD Single : A 86 THR OG1 : rot 61:sc= 2 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -0.0269 (180deg=-0.242) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 73:sc= 0.768 USER MOD Single : A 106 ASN : amide:sc= 0.396 K(o=0.4,f=-1.4!) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0183) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 75:sc= 0.938 USER MOD Single : A 124 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.21) USER MOD Single : A 126 LYS NZ :NH3+ 156:sc= 0.3 (180deg=0.0212) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -161:sc= -0.119 (180deg=-0.583) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.763 F(o=-1.6,f=-0.76) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 146 LYS NZ :NH3+ 169:sc=-0.00553 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.647 -14.018 6.490 1.00 0.78 N ATOM 28 CA PRO A 19 -17.543 -12.840 5.648 1.00 0.70 C ATOM 29 C PRO A 19 -18.922 -12.292 5.338 1.00 0.65 C ATOM 30 O PRO A 19 -19.854 -13.068 5.086 1.00 0.70 O ATOM 31 CB PRO A 19 -16.899 -13.342 4.352 1.00 0.71 C ATOM 32 CG PRO A 19 -16.601 -14.797 4.559 1.00 0.75 C ATOM 33 CD PRO A 19 -16.756 -15.087 6.028 1.00 0.84 C ATOM 0 HA PRO A 19 -16.971 -12.046 6.128 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.571 -13.200 3.505 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.987 -12.787 4.132 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.281 -15.415 3.973 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.590 -15.032 4.227 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.188 -16.073 6.200 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.797 -15.064 6.546 1.00 0.84 H new ATOM 41 N PRO A 20 -19.091 -10.970 5.384 1.00 0.58 N ATOM 42 CA PRO A 20 -20.349 -10.345 5.003 1.00 0.54 C ATOM 43 C PRO A 20 -20.780 -10.821 3.634 1.00 0.55 C ATOM 44 O PRO A 20 -19.969 -11.313 2.848 1.00 0.58 O ATOM 45 CB PRO A 20 -20.025 -8.859 4.993 1.00 0.49 C ATOM 46 CG PRO A 20 -18.894 -8.732 5.954 1.00 0.50 C ATOM 47 CD PRO A 20 -18.085 -9.984 5.797 1.00 0.56 C ATOM 0 HA PRO A 20 -21.171 -10.586 5.677 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.743 -8.518 3.997 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.882 -8.261 5.303 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -18.294 -7.848 5.737 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -19.259 -8.627 6.976 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.301 -9.868 5.049 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.597 -10.270 6.729 1.00 0.56 H new ATOM 55 N ALA A 21 -22.046 -10.702 3.356 1.00 0.56 N ATOM 56 CA ALA A 21 -22.587 -11.280 2.156 1.00 0.63 C ATOM 57 C ALA A 21 -22.240 -10.459 0.913 1.00 0.60 C ATOM 58 O ALA A 21 -21.544 -9.451 0.986 1.00 0.60 O ATOM 59 CB ALA A 21 -24.087 -11.448 2.311 1.00 0.72 C ATOM 0 H ALA A 21 -22.723 -10.212 3.941 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.131 -12.259 2.009 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.500 -11.886 1.402 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.294 -12.104 3.157 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.546 -10.475 2.486 1.00 0.72 H new ATOM 65 N ASP A 22 -22.761 -10.942 -0.202 1.00 0.64 N ATOM 66 CA ASP A 22 -22.678 -10.331 -1.531 1.00 0.70 C ATOM 67 C ASP A 22 -22.819 -8.814 -1.474 1.00 0.67 C ATOM 68 O ASP A 22 -21.816 -8.144 -1.308 1.00 1.01 O ATOM 69 CB ASP A 22 -23.718 -10.952 -2.474 1.00 1.01 C ATOM 70 CG ASP A 22 -23.550 -10.505 -3.915 1.00 1.54 C ATOM 71 OD1 ASP A 22 -22.663 -11.043 -4.608 1.00 1.66 O ATOM 72 OD2 ASP A 22 -24.315 -9.630 -4.370 1.00 2.34 O ATOM 0 H ASP A 22 -23.283 -11.818 -0.212 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.684 -10.539 -1.928 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -23.643 -12.038 -2.425 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -24.718 -10.686 -2.130 1.00 1.01 H new ATOM 77 N GLY A 23 -24.004 -8.287 -1.796 1.00 0.72 N ATOM 78 CA GLY A 23 -24.268 -6.841 -1.742 1.00 0.69 C ATOM 79 C GLY A 23 -23.346 -6.044 -0.811 1.00 0.61 C ATOM 80 O GLY A 23 -22.832 -5.001 -1.212 1.00 0.60 O ATOM 0 H GLY A 23 -24.803 -8.843 -2.099 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -24.181 -6.434 -2.749 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -25.299 -6.688 -1.424 1.00 0.69 H new ATOM 84 N ALA A 24 -23.134 -6.523 0.414 1.00 0.59 N ATOM 85 CA ALA A 24 -22.194 -5.887 1.341 1.00 0.55 C ATOM 86 C ALA A 24 -20.761 -5.922 0.796 1.00 0.48 C ATOM 87 O ALA A 24 -20.122 -4.882 0.635 1.00 0.44 O ATOM 88 CB ALA A 24 -22.248 -6.568 2.705 1.00 0.56 C ATOM 0 H ALA A 24 -23.600 -7.349 0.789 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.491 -4.844 1.449 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.544 -6.084 3.382 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.256 -6.488 3.112 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.983 -7.620 2.597 1.00 0.56 H new ATOM 94 N LEU A 25 -20.271 -7.124 0.508 1.00 0.49 N ATOM 95 CA LEU A 25 -18.925 -7.327 -0.025 1.00 0.48 C ATOM 96 C LEU A 25 -18.729 -6.609 -1.351 1.00 0.51 C ATOM 97 O LEU A 25 -17.711 -5.948 -1.567 1.00 0.53 O ATOM 98 CB LEU A 25 -18.639 -8.821 -0.219 1.00 0.47 C ATOM 99 CG LEU A 25 -18.355 -9.609 1.058 1.00 0.48 C ATOM 100 CD1 LEU A 25 -17.261 -10.637 0.817 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.969 -8.676 2.186 1.00 0.49 C ATOM 0 H LEU A 25 -20.797 -7.988 0.638 1.00 0.49 H new ATOM 0 HA LEU A 25 -18.230 -6.910 0.703 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.493 -9.274 -0.722 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.784 -8.925 -0.887 1.00 0.47 H new ATOM 0 HG LEU A 25 -19.265 -10.135 1.346 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -17.072 -11.189 1.737 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.578 -11.329 0.037 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.348 -10.130 0.504 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.771 -9.257 3.087 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -17.073 -8.120 1.908 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.785 -7.978 2.376 1.00 0.49 H new ATOM 113 N LYS A 26 -19.703 -6.740 -2.234 1.00 0.55 N ATOM 114 CA LYS A 26 -19.616 -6.142 -3.555 1.00 0.59 C ATOM 115 C LYS A 26 -19.634 -4.621 -3.436 1.00 0.52 C ATOM 116 O LYS A 26 -19.058 -3.918 -4.262 1.00 0.53 O ATOM 117 CB LYS A 26 -20.766 -6.634 -4.439 1.00 0.68 C ATOM 118 CG LYS A 26 -21.919 -5.658 -4.522 1.00 0.73 C ATOM 119 CD LYS A 26 -23.164 -6.290 -5.112 1.00 0.82 C ATOM 120 CE LYS A 26 -24.138 -5.219 -5.574 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.855 -4.780 -6.967 1.00 1.53 N ATOM 0 H LYS A 26 -20.565 -7.256 -2.060 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.678 -6.443 -4.023 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -20.387 -6.824 -5.443 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -21.132 -7.585 -4.051 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -22.144 -5.279 -3.525 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -21.625 -4.802 -5.130 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.891 -6.928 -5.952 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -23.642 -6.928 -4.369 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -25.156 -5.603 -5.514 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -24.080 -4.361 -4.904 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.540 -4.049 -7.247 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -22.892 -4.390 -7.019 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.935 -5.593 -7.610 1.00 1.53 H new ATOM 135 N ARG A 27 -20.296 -4.118 -2.397 1.00 0.49 N ATOM 136 CA ARG A 27 -20.313 -2.694 -2.120 1.00 0.45 C ATOM 137 C ARG A 27 -18.975 -2.262 -1.551 1.00 0.39 C ATOM 138 O ARG A 27 -18.515 -1.148 -1.793 1.00 0.37 O ATOM 139 CB ARG A 27 -21.434 -2.339 -1.147 1.00 0.49 C ATOM 140 CG ARG A 27 -21.502 -0.860 -0.798 1.00 0.45 C ATOM 141 CD ARG A 27 -21.583 -0.015 -2.051 1.00 0.51 C ATOM 142 NE ARG A 27 -21.988 1.363 -1.776 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.487 2.191 -2.694 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.713 1.756 -3.928 1.00 1.01 N ATOM 145 NH2 ARG A 27 -22.782 3.442 -2.372 1.00 2.11 N ATOM 0 H ARG A 27 -20.828 -4.682 -1.734 1.00 0.49 H new ATOM 0 HA ARG A 27 -20.494 -2.165 -3.056 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -22.387 -2.644 -1.579 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -21.301 -2.913 -0.230 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.372 -0.670 -0.169 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.622 -0.577 -0.220 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.612 -0.012 -2.546 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -22.293 -0.467 -2.744 1.00 0.51 H new ATOM 0 HE ARG A 27 -21.882 1.712 -0.823 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -22.505 0.788 -4.174 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -23.095 2.390 -4.630 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -22.627 3.774 -1.420 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -23.164 4.073 -3.076 1.00 2.11 H new ATOM 159 N ALA A 28 -18.343 -3.143 -0.794 1.00 0.39 N ATOM 160 CA ALA A 28 -17.001 -2.880 -0.322 1.00 0.37 C ATOM 161 C ALA A 28 -16.070 -2.781 -1.526 1.00 0.37 C ATOM 162 O ALA A 28 -15.190 -1.921 -1.593 1.00 0.36 O ATOM 163 CB ALA A 28 -16.541 -3.967 0.651 1.00 0.42 C ATOM 0 H ALA A 28 -18.735 -4.037 -0.497 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.982 -1.937 0.224 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.529 -3.746 0.991 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.214 -3.997 1.508 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.552 -4.934 0.148 1.00 0.42 H new ATOM 169 N GLU A 29 -16.308 -3.658 -2.495 1.00 0.43 N ATOM 170 CA GLU A 29 -15.580 -3.634 -3.756 1.00 0.47 C ATOM 171 C GLU A 29 -15.982 -2.401 -4.565 1.00 0.45 C ATOM 172 O GLU A 29 -15.207 -1.878 -5.365 1.00 0.48 O ATOM 173 CB GLU A 29 -15.880 -4.894 -4.565 1.00 0.55 C ATOM 174 CG GLU A 29 -14.754 -5.284 -5.504 1.00 0.84 C ATOM 175 CD GLU A 29 -15.208 -6.214 -6.602 1.00 1.52 C ATOM 176 OE1 GLU A 29 -15.301 -7.433 -6.358 1.00 2.41 O ATOM 177 OE2 GLU A 29 -15.467 -5.727 -7.723 1.00 1.83 O ATOM 0 H GLU A 29 -17.005 -4.399 -2.429 1.00 0.43 H new ATOM 0 HA GLU A 29 -14.512 -3.595 -3.541 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -16.076 -5.719 -3.880 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -16.790 -4.738 -5.144 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.329 -4.384 -5.948 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.959 -5.764 -4.933 1.00 0.84 H new ATOM 184 N GLU A 30 -17.202 -1.942 -4.340 1.00 0.43 N ATOM 185 CA GLU A 30 -17.719 -0.765 -5.013 1.00 0.44 C ATOM 186 C GLU A 30 -16.918 0.445 -4.592 1.00 0.41 C ATOM 187 O GLU A 30 -16.444 1.219 -5.416 1.00 0.48 O ATOM 188 CB GLU A 30 -19.178 -0.535 -4.627 1.00 0.47 C ATOM 189 CG GLU A 30 -20.137 -0.445 -5.789 1.00 0.64 C ATOM 190 CD GLU A 30 -19.552 0.280 -6.984 1.00 1.23 C ATOM 191 OE1 GLU A 30 -19.502 1.529 -6.959 1.00 1.52 O ATOM 192 OE2 GLU A 30 -19.153 -0.389 -7.955 1.00 1.72 O ATOM 0 H GLU A 30 -17.858 -2.373 -3.689 1.00 0.43 H new ATOM 0 HA GLU A 30 -17.644 -0.917 -6.090 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -19.498 -1.346 -3.973 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -19.244 0.386 -4.048 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -20.431 -1.451 -6.089 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -21.043 0.069 -5.467 1.00 0.64 H new ATOM 199 N LEU A 31 -16.762 0.577 -3.290 1.00 0.36 N ATOM 200 CA LEU A 31 -16.107 1.722 -2.704 1.00 0.36 C ATOM 201 C LEU A 31 -14.636 1.778 -3.087 1.00 0.37 C ATOM 202 O LEU A 31 -14.089 2.858 -3.260 1.00 0.41 O ATOM 203 CB LEU A 31 -16.278 1.679 -1.195 1.00 0.35 C ATOM 204 CG LEU A 31 -17.732 1.614 -0.736 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.804 1.235 0.728 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.439 2.937 -0.962 1.00 0.42 C ATOM 0 H LEU A 31 -17.088 -0.110 -2.610 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.570 2.629 -3.092 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.745 0.812 -0.804 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.810 2.563 -0.761 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.236 0.851 -1.330 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.847 1.192 1.042 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.341 0.259 0.874 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.276 1.980 1.323 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.473 2.859 -0.625 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.932 3.721 -0.400 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.421 3.183 -2.024 1.00 0.42 H new ATOM 218 N LYS A 32 -13.992 0.622 -3.239 1.00 0.37 N ATOM 219 CA LYS A 32 -12.609 0.616 -3.700 1.00 0.41 C ATOM 220 C LYS A 32 -12.546 1.049 -5.160 1.00 0.43 C ATOM 221 O LYS A 32 -11.557 1.628 -5.605 1.00 0.47 O ATOM 222 CB LYS A 32 -11.934 -0.750 -3.525 1.00 0.44 C ATOM 223 CG LYS A 32 -12.408 -1.830 -4.484 1.00 0.76 C ATOM 224 CD LYS A 32 -11.298 -2.820 -4.809 1.00 0.70 C ATOM 225 CE LYS A 32 -10.278 -2.214 -5.766 1.00 0.67 C ATOM 226 NZ LYS A 32 -9.172 -3.154 -6.085 1.00 1.15 N ATOM 0 H LYS A 32 -14.393 -0.298 -3.055 1.00 0.37 H new ATOM 0 HA LYS A 32 -12.060 1.324 -3.080 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -10.858 -0.625 -3.646 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.102 -1.093 -2.504 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -13.253 -2.361 -4.045 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -12.765 -1.368 -5.405 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -10.800 -3.126 -3.889 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -11.727 -3.718 -5.253 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.779 -1.920 -6.688 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.864 -1.307 -5.325 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.505 -2.696 -6.739 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.675 -3.415 -5.210 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -9.561 -4.009 -6.530 1.00 1.15 H new ATOM 240 N THR A 33 -13.620 0.778 -5.886 1.00 0.43 N ATOM 241 CA THR A 33 -13.740 1.192 -7.272 1.00 0.47 C ATOM 242 C THR A 33 -13.965 2.703 -7.333 1.00 0.47 C ATOM 243 O THR A 33 -13.336 3.412 -8.120 1.00 0.52 O ATOM 244 CB THR A 33 -14.903 0.444 -7.960 1.00 0.49 C ATOM 245 OG1 THR A 33 -14.716 -0.974 -7.824 1.00 0.50 O ATOM 246 CG2 THR A 33 -15.002 0.807 -9.434 1.00 0.57 C ATOM 0 H THR A 33 -14.428 0.267 -5.531 1.00 0.43 H new ATOM 0 HA THR A 33 -12.819 0.946 -7.801 1.00 0.47 H new ATOM 0 HB THR A 33 -15.831 0.744 -7.473 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.784 -1.224 -6.879 1.00 0.50 H new ATOM 0 HG21 THR A 33 -15.830 0.263 -9.888 1.00 0.57 H new ATOM 0 HG22 THR A 33 -15.173 1.879 -9.534 1.00 0.57 H new ATOM 0 HG23 THR A 33 -14.073 0.539 -9.938 1.00 0.57 H new ATOM 254 N GLN A 34 -14.851 3.191 -6.469 1.00 0.44 N ATOM 255 CA GLN A 34 -15.117 4.623 -6.367 1.00 0.46 C ATOM 256 C GLN A 34 -13.889 5.371 -5.874 1.00 0.46 C ATOM 257 O GLN A 34 -13.557 6.436 -6.375 1.00 0.51 O ATOM 258 CB GLN A 34 -16.288 4.876 -5.426 1.00 0.48 C ATOM 259 CG GLN A 34 -17.518 4.106 -5.827 1.00 0.50 C ATOM 260 CD GLN A 34 -18.749 4.482 -5.032 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.882 5.612 -4.567 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.670 3.541 -4.899 1.00 1.31 N ATOM 0 H GLN A 34 -15.398 2.615 -5.829 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.369 4.991 -7.362 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.003 4.598 -4.411 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.517 5.942 -5.412 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.713 4.274 -6.886 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.327 3.040 -5.703 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.517 2.617 -5.302 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.533 3.740 -4.394 1.00 1.31 H new ATOM 271 N ALA A 35 -13.215 4.808 -4.892 1.00 0.43 N ATOM 272 CA ALA A 35 -12.014 5.416 -4.352 1.00 0.44 C ATOM 273 C ALA A 35 -10.886 5.408 -5.379 1.00 0.48 C ATOM 274 O ALA A 35 -10.013 6.268 -5.354 1.00 0.50 O ATOM 275 CB ALA A 35 -11.602 4.702 -3.086 1.00 0.42 C ATOM 0 H ALA A 35 -13.479 3.928 -4.450 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.228 6.457 -4.111 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.699 5.163 -2.685 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.403 4.774 -2.351 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.406 3.653 -3.307 1.00 0.42 H new ATOM 281 N ASN A 36 -10.919 4.441 -6.294 1.00 0.53 N ATOM 282 CA ASN A 36 -9.980 4.412 -7.416 1.00 0.61 C ATOM 283 C ASN A 36 -10.257 5.597 -8.330 1.00 0.63 C ATOM 284 O ASN A 36 -9.351 6.178 -8.933 1.00 0.67 O ATOM 285 CB ASN A 36 -10.109 3.093 -8.190 1.00 0.69 C ATOM 286 CG ASN A 36 -9.317 3.082 -9.488 1.00 1.28 C ATOM 287 OD1 ASN A 36 -8.134 2.752 -9.506 1.00 1.88 O ATOM 288 ND2 ASN A 36 -9.971 3.428 -10.587 1.00 2.01 N ATOM 0 H ASN A 36 -11.584 3.668 -6.282 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.961 4.481 -7.036 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.769 2.273 -7.557 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.160 2.910 -8.412 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -9.492 3.426 -11.487 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -10.954 3.696 -10.533 1.00 2.01 H new ATOM 295 N ASP A 37 -11.527 5.962 -8.400 1.00 0.63 N ATOM 296 CA ASP A 37 -11.951 7.139 -9.142 1.00 0.68 C ATOM 297 C ASP A 37 -11.396 8.381 -8.479 1.00 0.65 C ATOM 298 O ASP A 37 -10.888 9.275 -9.145 1.00 0.68 O ATOM 299 CB ASP A 37 -13.480 7.219 -9.202 1.00 0.73 C ATOM 300 CG ASP A 37 -13.955 8.391 -10.039 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.552 8.484 -11.219 1.00 1.05 O ATOM 302 OD2 ASP A 37 -14.742 9.211 -9.531 1.00 1.04 O ATOM 0 H ASP A 37 -12.288 5.455 -7.948 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.570 7.068 -10.161 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.875 6.292 -9.618 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.878 7.310 -8.191 1.00 0.73 H new ATOM 307 N TYR A 38 -11.464 8.409 -7.160 1.00 0.60 N ATOM 308 CA TYR A 38 -10.954 9.530 -6.393 1.00 0.58 C ATOM 309 C TYR A 38 -9.429 9.544 -6.387 1.00 0.57 C ATOM 310 O TYR A 38 -8.811 10.601 -6.268 1.00 0.57 O ATOM 311 CB TYR A 38 -11.514 9.495 -4.971 1.00 0.54 C ATOM 312 CG TYR A 38 -12.963 9.924 -4.904 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.298 11.267 -4.770 1.00 0.59 C ATOM 314 CD2 TYR A 38 -13.995 8.999 -5.000 1.00 0.63 C ATOM 315 CE1 TYR A 38 -14.616 11.672 -4.730 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.315 9.398 -4.967 1.00 0.67 C ATOM 317 CZ TYR A 38 -15.620 10.735 -4.830 1.00 0.65 C ATOM 318 OH TYR A 38 -16.934 11.136 -4.807 1.00 0.71 O ATOM 0 H TYR A 38 -11.870 7.663 -6.595 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.285 10.453 -6.869 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.420 8.485 -4.572 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -10.916 10.147 -4.333 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -12.513 12.005 -4.696 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -13.760 7.950 -5.102 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -14.859 12.719 -4.621 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.105 8.666 -5.048 1.00 0.67 H new ATOM 0 HH TYR A 38 -17.517 10.352 -4.889 1.00 0.71 H new ATOM 328 N PHE A 39 -8.825 8.375 -6.540 1.00 0.57 N ATOM 329 CA PHE A 39 -7.385 8.271 -6.659 1.00 0.57 C ATOM 330 C PHE A 39 -6.907 9.038 -7.885 1.00 0.63 C ATOM 331 O PHE A 39 -5.973 9.840 -7.806 1.00 0.67 O ATOM 332 CB PHE A 39 -6.971 6.800 -6.755 1.00 0.58 C ATOM 333 CG PHE A 39 -5.502 6.600 -6.975 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.982 6.567 -8.258 1.00 0.70 C ATOM 335 CD2 PHE A 39 -4.643 6.451 -5.905 1.00 0.55 C ATOM 336 CE1 PHE A 39 -3.632 6.390 -8.467 1.00 0.73 C ATOM 337 CE2 PHE A 39 -3.290 6.274 -6.107 1.00 0.59 C ATOM 338 CZ PHE A 39 -2.783 6.244 -7.390 1.00 0.65 C ATOM 0 H PHE A 39 -9.316 7.482 -6.584 1.00 0.57 H new ATOM 0 HA PHE A 39 -6.923 8.706 -5.773 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.265 6.289 -5.838 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.519 6.330 -7.572 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.643 6.681 -9.105 1.00 0.70 H new ATOM 0 HD2 PHE A 39 -5.034 6.473 -4.899 1.00 0.55 H new ATOM 0 HE1 PHE A 39 -3.239 6.366 -9.473 1.00 0.73 H new ATOM 0 HE2 PHE A 39 -2.628 6.159 -5.262 1.00 0.59 H new ATOM 0 HZ PHE A 39 -1.724 6.107 -7.550 1.00 0.65 H new ATOM 348 N LYS A 40 -7.563 8.804 -9.017 1.00 0.66 N ATOM 349 CA LYS A 40 -7.202 9.490 -10.247 1.00 0.74 C ATOM 350 C LYS A 40 -7.825 10.880 -10.287 1.00 0.73 C ATOM 351 O LYS A 40 -7.424 11.728 -11.083 1.00 0.79 O ATOM 352 CB LYS A 40 -7.598 8.665 -11.478 1.00 0.82 C ATOM 353 CG LYS A 40 -9.094 8.514 -11.715 1.00 1.18 C ATOM 354 CD LYS A 40 -9.347 7.611 -12.914 1.00 1.09 C ATOM 355 CE LYS A 40 -10.790 7.655 -13.396 1.00 1.56 C ATOM 356 NZ LYS A 40 -11.738 7.023 -12.443 1.00 2.26 N ATOM 0 H LYS A 40 -8.341 8.150 -9.106 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.118 9.605 -10.267 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -7.153 9.125 -12.360 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.161 7.671 -11.383 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.570 8.095 -10.828 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -9.543 9.492 -11.886 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -8.688 7.906 -13.730 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -9.089 6.585 -12.651 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -11.082 8.693 -13.557 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -10.861 7.151 -14.360 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -12.517 6.579 -12.971 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -11.240 6.299 -11.887 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -12.122 7.748 -11.803 1.00 2.26 H new ATOM 370 N ALA A 41 -8.798 11.110 -9.412 1.00 0.68 N ATOM 371 CA ALA A 41 -9.393 12.430 -9.260 1.00 0.70 C ATOM 372 C ALA A 41 -8.508 13.308 -8.382 1.00 0.71 C ATOM 373 O ALA A 41 -8.735 14.513 -8.258 1.00 0.78 O ATOM 374 CB ALA A 41 -10.788 12.338 -8.661 1.00 0.68 C ATOM 0 H ALA A 41 -9.191 10.397 -8.797 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.475 12.878 -10.250 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.207 13.339 -8.559 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.426 11.742 -9.314 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.732 11.867 -7.680 1.00 0.68 H new ATOM 380 N LYS A 42 -7.513 12.666 -7.759 1.00 0.68 N ATOM 381 CA LYS A 42 -6.526 13.334 -6.910 1.00 0.70 C ATOM 382 C LYS A 42 -7.118 13.719 -5.558 1.00 0.66 C ATOM 383 O LYS A 42 -6.661 14.663 -4.911 1.00 0.70 O ATOM 384 CB LYS A 42 -5.920 14.556 -7.610 1.00 0.82 C ATOM 385 CG LYS A 42 -5.007 14.194 -8.773 1.00 0.96 C ATOM 386 CD LYS A 42 -3.923 13.219 -8.338 1.00 1.41 C ATOM 387 CE LYS A 42 -3.039 12.788 -9.499 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.176 13.890 -9.997 1.00 2.30 N ATOM 0 H LYS A 42 -7.371 11.659 -7.832 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.722 12.620 -6.729 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -6.725 15.193 -7.975 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.356 15.140 -6.883 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -5.596 13.753 -9.577 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -4.548 15.098 -9.173 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -3.307 13.683 -7.567 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.386 12.340 -7.890 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -2.412 11.954 -9.184 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.666 12.425 -10.314 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -1.582 13.541 -10.776 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.772 14.670 -10.340 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -1.569 14.232 -9.225 1.00 2.30 H new ATOM 402 N ASP A 43 -8.110 12.955 -5.125 1.00 0.61 N ATOM 403 CA ASP A 43 -8.695 13.127 -3.803 1.00 0.58 C ATOM 404 C ASP A 43 -8.461 11.868 -2.983 1.00 0.52 C ATOM 405 O ASP A 43 -9.285 10.950 -2.972 1.00 0.54 O ATOM 406 CB ASP A 43 -10.193 13.403 -3.898 1.00 0.61 C ATOM 407 CG ASP A 43 -10.775 13.946 -2.606 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.385 13.479 -1.511 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.643 14.839 -2.677 1.00 0.73 O ATOM 0 H ASP A 43 -8.529 12.205 -5.674 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.219 13.982 -3.322 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.376 14.117 -4.701 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.711 12.482 -4.166 1.00 0.61 H new ATOM 414 N TYR A 44 -7.326 11.817 -2.317 1.00 0.48 N ATOM 415 CA TYR A 44 -6.924 10.631 -1.591 1.00 0.45 C ATOM 416 C TYR A 44 -7.587 10.569 -0.225 1.00 0.44 C ATOM 417 O TYR A 44 -7.610 9.521 0.408 1.00 0.43 O ATOM 418 CB TYR A 44 -5.406 10.605 -1.478 1.00 0.45 C ATOM 419 CG TYR A 44 -4.754 10.618 -2.840 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.824 9.505 -3.667 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.096 11.746 -3.314 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.259 9.517 -4.925 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.524 11.762 -4.571 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.612 10.644 -5.372 1.00 0.64 C ATOM 425 OH TYR A 44 -3.053 10.648 -6.629 1.00 0.75 O ATOM 0 H TYR A 44 -6.662 12.589 -2.264 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.253 9.747 -2.138 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.067 11.466 -0.902 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.095 9.714 -0.932 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.329 8.616 -3.320 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.031 12.625 -2.689 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.325 8.644 -5.557 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.011 12.645 -4.924 1.00 0.65 H new ATOM 0 HH TYR A 44 -3.565 10.054 -7.217 1.00 0.75 H new ATOM 435 N GLU A 45 -8.156 11.684 0.208 1.00 0.48 N ATOM 436 CA GLU A 45 -8.851 11.733 1.487 1.00 0.50 C ATOM 437 C GLU A 45 -10.198 11.092 1.379 1.00 0.46 C ATOM 438 O GLU A 45 -10.599 10.313 2.245 1.00 0.43 O ATOM 439 CB GLU A 45 -9.018 13.160 1.953 1.00 0.61 C ATOM 440 CG GLU A 45 -7.696 13.829 2.107 1.00 0.76 C ATOM 441 CD GLU A 45 -7.800 15.260 2.581 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.287 16.109 1.810 1.00 1.47 O ATOM 443 OE2 GLU A 45 -7.409 15.539 3.733 1.00 1.17 O ATOM 0 H GLU A 45 -8.151 12.565 -0.305 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.247 11.188 2.212 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.627 13.711 1.237 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -9.551 13.176 2.904 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.091 13.263 2.815 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.173 13.808 1.151 1.00 0.76 H new ATOM 450 N ASN A 46 -10.914 11.425 0.324 1.00 0.48 N ATOM 451 CA ASN A 46 -12.182 10.800 0.110 1.00 0.48 C ATOM 452 C ASN A 46 -11.969 9.340 -0.248 1.00 0.43 C ATOM 453 O ASN A 46 -12.776 8.485 0.101 1.00 0.43 O ATOM 454 CB ASN A 46 -13.013 11.513 -0.961 1.00 0.53 C ATOM 455 CG ASN A 46 -13.748 12.724 -0.413 1.00 0.60 C ATOM 456 OD1 ASN A 46 -14.871 12.610 0.078 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.137 13.890 -0.511 1.00 0.63 N ATOM 0 H ASN A 46 -10.639 12.111 -0.379 1.00 0.48 H new ATOM 0 HA ASN A 46 -12.753 10.870 1.036 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.360 11.826 -1.775 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.735 10.813 -1.382 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -13.596 14.736 -0.174 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.206 13.945 -0.924 1.00 0.63 H new ATOM 464 N ALA A 47 -10.859 9.060 -0.924 1.00 0.41 N ATOM 465 CA ALA A 47 -10.457 7.686 -1.189 1.00 0.38 C ATOM 466 C ALA A 47 -10.263 6.943 0.131 1.00 0.34 C ATOM 467 O ALA A 47 -10.800 5.852 0.322 1.00 0.32 O ATOM 468 CB ALA A 47 -9.186 7.654 -2.025 1.00 0.40 C ATOM 0 H ALA A 47 -10.224 9.766 -1.297 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.242 7.187 -1.757 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.900 6.619 -2.213 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.362 8.160 -2.974 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.384 8.160 -1.487 1.00 0.40 H new ATOM 474 N ILE A 48 -9.511 7.566 1.046 1.00 0.34 N ATOM 475 CA ILE A 48 -9.349 7.060 2.411 1.00 0.32 C ATOM 476 C ILE A 48 -10.704 6.710 3.017 1.00 0.29 C ATOM 477 O ILE A 48 -10.874 5.650 3.622 1.00 0.28 O ATOM 478 CB ILE A 48 -8.628 8.102 3.314 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.133 8.145 3.000 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.846 7.811 4.794 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.388 9.239 3.734 1.00 0.42 C ATOM 0 H ILE A 48 -9.001 8.430 0.861 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.736 6.160 2.359 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.064 9.077 3.097 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.690 7.182 3.254 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.000 8.284 1.927 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.327 8.560 5.392 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.912 7.843 5.018 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.455 6.822 5.032 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.333 9.207 3.461 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -6.804 10.209 3.461 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.489 9.090 4.809 1.00 0.42 H new ATOM 493 N LYS A 49 -11.663 7.605 2.826 1.00 0.31 N ATOM 494 CA LYS A 49 -13.017 7.414 3.321 1.00 0.32 C ATOM 495 C LYS A 49 -13.644 6.149 2.747 1.00 0.27 C ATOM 496 O LYS A 49 -14.026 5.251 3.494 1.00 0.27 O ATOM 497 CB LYS A 49 -13.871 8.630 2.966 1.00 0.39 C ATOM 498 CG LYS A 49 -15.320 8.517 3.401 1.00 0.44 C ATOM 499 CD LYS A 49 -16.076 9.810 3.146 1.00 0.63 C ATOM 500 CE LYS A 49 -16.376 10.010 1.670 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.130 11.269 1.432 1.00 1.50 N ATOM 0 H LYS A 49 -11.524 8.482 2.324 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.972 7.303 4.404 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.433 9.515 3.426 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.837 8.782 1.887 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.801 7.700 2.863 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.365 8.270 4.462 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.010 9.801 3.708 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.490 10.652 3.515 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.442 10.032 1.108 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.953 9.164 1.297 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -17.961 11.069 0.839 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.441 11.665 2.342 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.516 11.955 0.948 1.00 1.50 H new ATOM 515 N PHE A 50 -13.723 6.075 1.424 1.00 0.27 N ATOM 516 CA PHE A 50 -14.390 4.961 0.753 1.00 0.27 C ATOM 517 C PHE A 50 -13.728 3.624 1.078 1.00 0.23 C ATOM 518 O PHE A 50 -14.410 2.609 1.211 1.00 0.25 O ATOM 519 CB PHE A 50 -14.438 5.189 -0.761 1.00 0.35 C ATOM 520 CG PHE A 50 -15.454 6.220 -1.176 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.764 5.851 -1.435 1.00 0.56 C ATOM 522 CD2 PHE A 50 -15.105 7.555 -1.299 1.00 0.71 C ATOM 523 CE1 PHE A 50 -17.704 6.792 -1.806 1.00 0.65 C ATOM 524 CE2 PHE A 50 -16.042 8.500 -1.668 1.00 0.81 C ATOM 525 CZ PHE A 50 -17.343 8.118 -1.923 1.00 0.66 C ATOM 0 H PHE A 50 -13.333 6.774 0.791 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.412 4.919 1.130 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.452 5.501 -1.106 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.665 4.245 -1.257 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -17.054 4.814 -1.346 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -14.088 7.860 -1.104 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -18.722 6.490 -2.005 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -15.756 9.538 -1.757 1.00 0.81 H new ATOM 0 HZ PHE A 50 -18.077 8.855 -2.213 1.00 0.66 H new ATOM 535 N TYR A 51 -12.408 3.615 1.223 1.00 0.23 N ATOM 536 CA TYR A 51 -11.713 2.392 1.609 1.00 0.25 C ATOM 537 C TYR A 51 -12.062 2.009 3.043 1.00 0.21 C ATOM 538 O TYR A 51 -12.243 0.833 3.350 1.00 0.23 O ATOM 539 CB TYR A 51 -10.194 2.526 1.439 1.00 0.31 C ATOM 540 CG TYR A 51 -9.765 2.602 -0.009 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.164 1.629 -0.917 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.988 3.654 -0.477 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.801 1.700 -2.245 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.626 3.736 -1.809 1.00 0.65 C ATOM 545 CZ TYR A 51 -9.035 2.754 -2.689 1.00 0.72 C ATOM 546 OH TYR A 51 -8.696 2.832 -4.022 1.00 0.88 O ATOM 0 H TYR A 51 -11.805 4.426 1.082 1.00 0.23 H new ATOM 0 HA TYR A 51 -12.048 1.597 0.943 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.853 3.421 1.960 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.705 1.675 1.913 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.769 0.802 -0.576 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.661 4.420 0.211 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -10.117 0.931 -2.935 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -8.027 4.564 -2.159 1.00 0.65 H new ATOM 0 HH TYR A 51 -8.154 3.634 -4.175 1.00 0.88 H new ATOM 556 N SER A 52 -12.191 3.004 3.911 1.00 0.20 N ATOM 557 CA SER A 52 -12.569 2.758 5.292 1.00 0.22 C ATOM 558 C SER A 52 -13.991 2.217 5.350 1.00 0.22 C ATOM 559 O SER A 52 -14.272 1.259 6.071 1.00 0.23 O ATOM 560 CB SER A 52 -12.448 4.041 6.112 1.00 0.25 C ATOM 561 OG SER A 52 -11.128 4.555 6.041 1.00 0.56 O ATOM 0 H SER A 52 -12.039 3.986 3.682 1.00 0.20 H new ATOM 0 HA SER A 52 -11.894 2.016 5.718 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.154 4.784 5.741 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.711 3.842 7.151 1.00 0.25 H new ATOM 0 HG SER A 52 -11.060 5.180 5.289 1.00 0.56 H new ATOM 567 N GLN A 53 -14.872 2.822 4.563 1.00 0.24 N ATOM 568 CA GLN A 53 -16.247 2.364 4.439 1.00 0.27 C ATOM 569 C GLN A 53 -16.295 0.907 3.980 1.00 0.26 C ATOM 570 O GLN A 53 -17.148 0.135 4.414 1.00 0.30 O ATOM 571 CB GLN A 53 -16.997 3.259 3.455 1.00 0.31 C ATOM 572 CG GLN A 53 -16.966 4.725 3.842 1.00 0.37 C ATOM 573 CD GLN A 53 -17.668 5.613 2.841 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.743 5.300 1.656 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.163 6.740 3.312 1.00 0.94 N ATOM 0 H GLN A 53 -14.653 3.641 3.995 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.727 2.423 5.416 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.562 3.142 2.462 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -18.034 2.928 3.390 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.433 4.847 4.819 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -15.930 5.047 3.942 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -18.078 6.959 4.305 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -18.631 7.393 2.684 1.00 0.94 H new ATOM 584 N ALA A 54 -15.360 0.527 3.116 1.00 0.23 N ATOM 585 CA ALA A 54 -15.266 -0.849 2.642 1.00 0.24 C ATOM 586 C ALA A 54 -14.861 -1.791 3.776 1.00 0.23 C ATOM 587 O ALA A 54 -15.234 -2.964 3.785 1.00 0.25 O ATOM 588 CB ALA A 54 -14.276 -0.941 1.493 1.00 0.25 C ATOM 0 H ALA A 54 -14.655 1.154 2.729 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.248 -1.157 2.284 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -14.214 -1.973 1.148 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.609 -0.303 0.674 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.294 -0.613 1.832 1.00 0.25 H new ATOM 594 N ILE A 55 -14.113 -1.257 4.735 1.00 0.22 N ATOM 595 CA ILE A 55 -13.681 -2.014 5.913 1.00 0.22 C ATOM 596 C ILE A 55 -14.797 -2.034 6.956 1.00 0.24 C ATOM 597 O ILE A 55 -14.739 -2.741 7.965 1.00 0.27 O ATOM 598 CB ILE A 55 -12.419 -1.388 6.534 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.355 -1.185 5.465 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.874 -2.268 7.649 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.287 -0.209 5.877 1.00 0.28 C ATOM 0 H ILE A 55 -13.788 -0.290 4.722 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.451 -3.032 5.597 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.689 -0.421 6.958 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.893 -2.145 5.233 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.830 -0.831 4.550 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.982 -1.807 8.074 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.630 -2.380 8.426 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.619 -3.248 7.247 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.558 -0.107 5.073 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.740 0.761 6.081 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.788 -0.573 6.775 1.00 0.28 H new ATOM 613 N GLU A 56 -15.807 -1.230 6.712 1.00 0.27 N ATOM 614 CA GLU A 56 -17.001 -1.249 7.527 1.00 0.31 C ATOM 615 C GLU A 56 -17.951 -2.309 6.997 1.00 0.31 C ATOM 616 O GLU A 56 -18.728 -2.906 7.745 1.00 0.34 O ATOM 617 CB GLU A 56 -17.652 0.127 7.500 1.00 0.34 C ATOM 618 CG GLU A 56 -16.706 1.219 7.954 1.00 0.36 C ATOM 619 CD GLU A 56 -16.414 1.136 9.438 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.257 1.586 10.242 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.327 0.644 9.811 1.00 0.81 O ATOM 0 H GLU A 56 -15.825 -0.551 5.951 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.749 -1.492 8.559 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -17.996 0.344 6.489 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.533 0.122 8.142 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.772 1.145 7.396 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.139 2.193 7.724 1.00 0.36 H new ATOM 628 N LEU A 57 -17.850 -2.558 5.703 1.00 0.31 N ATOM 629 CA LEU A 57 -18.682 -3.545 5.044 1.00 0.33 C ATOM 630 C LEU A 57 -18.071 -4.930 5.187 1.00 0.33 C ATOM 631 O LEU A 57 -18.699 -5.823 5.740 1.00 0.40 O ATOM 632 CB LEU A 57 -18.870 -3.163 3.583 1.00 0.34 C ATOM 633 CG LEU A 57 -19.379 -1.737 3.387 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.441 -1.383 1.924 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.741 -1.561 4.034 1.00 0.40 C ATOM 0 H LEU A 57 -17.192 -2.084 5.084 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.663 -3.569 5.518 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.920 -3.276 3.061 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.572 -3.858 3.122 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.676 -1.059 3.871 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.807 -0.362 1.812 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.445 -1.462 1.488 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -20.116 -2.069 1.412 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -21.086 -0.538 3.883 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.451 -2.254 3.582 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.665 -1.765 5.102 1.00 0.40 H new ATOM 647 N ASN A 58 -16.840 -5.100 4.713 1.00 0.29 N ATOM 648 CA ASN A 58 -16.101 -6.329 4.962 1.00 0.30 C ATOM 649 C ASN A 58 -15.084 -5.985 6.049 1.00 0.30 C ATOM 650 O ASN A 58 -14.943 -4.818 6.365 1.00 0.34 O ATOM 651 CB ASN A 58 -15.415 -6.727 3.638 1.00 0.35 C ATOM 652 CG ASN A 58 -14.874 -8.146 3.586 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.465 -9.083 4.120 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.743 -8.307 2.925 1.00 0.57 N ATOM 0 H ASN A 58 -16.338 -4.406 4.159 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.721 -7.164 5.289 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -16.130 -6.599 2.825 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.593 -6.036 3.452 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.328 -9.235 2.843 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -13.284 -7.503 2.496 1.00 0.57 H new ATOM 661 N PRO A 59 -14.363 -6.934 6.653 1.00 0.31 N ATOM 662 CA PRO A 59 -13.278 -6.611 7.564 1.00 0.35 C ATOM 663 C PRO A 59 -11.869 -6.880 7.021 1.00 0.35 C ATOM 664 O PRO A 59 -11.181 -5.963 6.573 1.00 0.35 O ATOM 665 CB PRO A 59 -13.619 -7.515 8.737 1.00 0.41 C ATOM 666 CG PRO A 59 -14.269 -8.730 8.126 1.00 0.41 C ATOM 667 CD PRO A 59 -14.656 -8.361 6.707 1.00 0.34 C ATOM 0 HA PRO A 59 -13.222 -5.546 7.788 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.724 -7.787 9.297 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.293 -7.017 9.435 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.583 -9.577 8.131 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.147 -9.027 8.700 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -14.078 -8.921 5.972 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.708 -8.566 6.508 1.00 0.34 H new ATOM 675 N SER A 60 -11.453 -8.145 7.055 1.00 0.44 N ATOM 676 CA SER A 60 -10.080 -8.518 6.751 1.00 0.49 C ATOM 677 C SER A 60 -9.820 -8.501 5.254 1.00 0.49 C ATOM 678 O SER A 60 -9.843 -9.541 4.591 1.00 0.68 O ATOM 679 CB SER A 60 -9.768 -9.903 7.325 1.00 0.63 C ATOM 680 OG SER A 60 -8.407 -10.259 7.123 1.00 1.52 O ATOM 0 H SER A 60 -12.056 -8.932 7.293 1.00 0.44 H new ATOM 0 HA SER A 60 -9.423 -7.782 7.215 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.993 -9.915 8.391 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.413 -10.646 6.855 1.00 0.63 H new ATOM 0 HG SER A 60 -8.241 -11.147 7.502 1.00 1.52 H new ATOM 686 N ASN A 61 -9.618 -7.314 4.720 1.00 0.43 N ATOM 687 CA ASN A 61 -9.254 -7.168 3.329 1.00 0.45 C ATOM 688 C ASN A 61 -7.975 -6.353 3.213 1.00 0.38 C ATOM 689 O ASN A 61 -8.000 -5.122 3.293 1.00 0.34 O ATOM 690 CB ASN A 61 -10.379 -6.509 2.546 1.00 0.48 C ATOM 691 CG ASN A 61 -10.192 -6.668 1.054 1.00 0.79 C ATOM 692 OD1 ASN A 61 -9.569 -5.833 0.407 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.712 -7.753 0.506 1.00 1.07 N ATOM 0 H ASN A 61 -9.700 -6.435 5.231 1.00 0.43 H new ATOM 0 HA ASN A 61 -9.082 -8.158 2.906 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -11.333 -6.947 2.842 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.424 -5.449 2.796 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.602 -7.922 -0.494 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.223 -8.421 1.083 1.00 1.07 H new ATOM 700 N ALA A 62 -6.856 -7.051 3.043 1.00 0.42 N ATOM 701 CA ALA A 62 -5.544 -6.413 2.956 1.00 0.42 C ATOM 702 C ALA A 62 -5.484 -5.427 1.796 1.00 0.37 C ATOM 703 O ALA A 62 -4.697 -4.485 1.812 1.00 0.38 O ATOM 704 CB ALA A 62 -4.455 -7.463 2.807 1.00 0.52 C ATOM 0 H ALA A 62 -6.831 -8.067 2.962 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.380 -5.858 3.880 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.483 -6.973 2.743 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.470 -8.128 3.670 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.629 -8.042 1.900 1.00 0.52 H new ATOM 710 N ILE A 63 -6.328 -5.650 0.802 1.00 0.36 N ATOM 711 CA ILE A 63 -6.401 -4.780 -0.358 1.00 0.35 C ATOM 712 C ILE A 63 -6.885 -3.387 0.028 1.00 0.31 C ATOM 713 O ILE A 63 -6.298 -2.389 -0.378 1.00 0.34 O ATOM 714 CB ILE A 63 -7.318 -5.394 -1.438 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.605 -6.582 -2.081 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.722 -4.364 -2.486 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.337 -6.189 -2.798 1.00 0.74 C ATOM 0 H ILE A 63 -6.978 -6.435 0.777 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.396 -4.683 -0.770 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.238 -5.736 -0.965 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.368 -7.317 -1.312 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.280 -7.066 -2.787 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.367 -4.834 -3.229 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -8.259 -3.547 -2.005 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.830 -3.974 -2.975 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.876 -7.075 -3.234 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.572 -5.476 -3.588 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.646 -5.731 -2.090 1.00 0.74 H new ATOM 729 N TYR A 64 -7.930 -3.320 0.840 1.00 0.29 N ATOM 730 CA TYR A 64 -8.488 -2.034 1.242 1.00 0.28 C ATOM 731 C TYR A 64 -7.535 -1.314 2.185 1.00 0.30 C ATOM 732 O TYR A 64 -7.389 -0.097 2.122 1.00 0.34 O ATOM 733 CB TYR A 64 -9.848 -2.215 1.912 1.00 0.26 C ATOM 734 CG TYR A 64 -10.871 -2.907 1.042 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.812 -2.817 -0.344 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.883 -3.669 1.607 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.733 -3.463 -1.139 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.807 -4.324 0.818 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.727 -4.218 -0.556 1.00 0.35 C ATOM 740 OH TYR A 64 -13.638 -4.876 -1.349 1.00 0.42 O ATOM 0 H TYR A 64 -8.406 -4.133 1.231 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.623 -1.430 0.345 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.717 -2.790 2.829 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.233 -1.237 2.201 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.031 -2.231 -0.805 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.949 -3.751 2.682 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.676 -3.378 -2.214 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.588 -4.916 1.273 1.00 0.43 H new ATOM 0 HH TYR A 64 -14.272 -5.364 -0.783 1.00 0.42 H new ATOM 750 N TYR A 65 -6.879 -2.079 3.049 1.00 0.30 N ATOM 751 CA TYR A 65 -5.920 -1.517 3.991 1.00 0.32 C ATOM 752 C TYR A 65 -4.641 -1.072 3.282 1.00 0.33 C ATOM 753 O TYR A 65 -4.109 0.002 3.562 1.00 0.37 O ATOM 754 CB TYR A 65 -5.597 -2.532 5.090 1.00 0.34 C ATOM 755 CG TYR A 65 -6.559 -2.495 6.261 1.00 0.36 C ATOM 756 CD1 TYR A 65 -6.319 -1.652 7.335 1.00 0.51 C ATOM 757 CD2 TYR A 65 -7.692 -3.301 6.303 1.00 0.37 C ATOM 758 CE1 TYR A 65 -7.176 -1.606 8.416 1.00 0.58 C ATOM 759 CE2 TYR A 65 -8.555 -3.264 7.384 1.00 0.40 C ATOM 760 CZ TYR A 65 -8.289 -2.415 8.439 1.00 0.47 C ATOM 761 OH TYR A 65 -9.139 -2.376 9.522 1.00 0.55 O ATOM 0 H TYR A 65 -6.994 -3.090 3.117 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.373 -0.636 4.447 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.602 -3.533 4.659 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.587 -2.348 5.456 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -5.444 -1.019 7.326 1.00 0.51 H new ATOM 0 HD2 TYR A 65 -7.901 -3.966 5.479 1.00 0.37 H new ATOM 0 HE1 TYR A 65 -6.974 -0.938 9.240 1.00 0.58 H new ATOM 0 HE2 TYR A 65 -9.431 -3.895 7.402 1.00 0.40 H new ATOM 0 HH TYR A 65 -9.123 -1.480 9.918 1.00 0.55 H new ATOM 771 N GLY A 66 -4.158 -1.888 2.353 1.00 0.35 N ATOM 772 CA GLY A 66 -2.951 -1.549 1.620 1.00 0.41 C ATOM 773 C GLY A 66 -3.171 -0.396 0.662 1.00 0.43 C ATOM 774 O GLY A 66 -2.248 0.361 0.342 1.00 0.51 O ATOM 0 H GLY A 66 -4.580 -2.779 2.093 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.161 -1.289 2.324 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.608 -2.421 1.064 1.00 0.41 H new ATOM 778 N ASN A 67 -4.399 -0.258 0.204 1.00 0.44 N ATOM 779 CA ASN A 67 -4.751 0.815 -0.704 1.00 0.57 C ATOM 780 C ASN A 67 -4.984 2.105 0.079 1.00 0.41 C ATOM 781 O ASN A 67 -4.555 3.181 -0.332 1.00 0.38 O ATOM 782 CB ASN A 67 -5.993 0.432 -1.507 1.00 0.84 C ATOM 783 CG ASN A 67 -6.179 1.284 -2.742 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.819 2.457 -2.772 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.732 0.689 -3.785 1.00 1.35 N ATOM 0 H ASN A 67 -5.172 -0.878 0.447 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.930 0.981 -1.401 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -5.921 -0.615 -1.801 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.874 0.525 -0.871 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.872 1.207 -4.653 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -7.019 -0.288 -3.722 1.00 1.35 H new ATOM 792 N ARG A 68 -5.636 1.996 1.231 1.00 0.39 N ATOM 793 CA ARG A 68 -5.881 3.167 2.062 1.00 0.39 C ATOM 794 C ARG A 68 -4.569 3.717 2.614 1.00 0.31 C ATOM 795 O ARG A 68 -4.386 4.934 2.695 1.00 0.32 O ATOM 796 CB ARG A 68 -6.842 2.859 3.208 1.00 0.53 C ATOM 797 CG ARG A 68 -7.220 4.100 3.996 1.00 0.80 C ATOM 798 CD ARG A 68 -8.161 3.790 5.144 1.00 0.48 C ATOM 799 NE ARG A 68 -7.574 2.871 6.116 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.182 2.492 7.241 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.390 2.954 7.549 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.576 1.659 8.071 1.00 1.87 N ATOM 0 H ARG A 68 -6.000 1.120 1.607 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.347 3.922 1.428 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.745 2.397 2.807 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.383 2.132 3.878 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.317 4.569 4.386 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.691 4.822 3.329 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.435 4.718 5.646 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.080 3.358 4.749 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.645 2.497 5.923 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -9.862 3.606 6.922 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.845 2.657 8.412 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.644 1.307 7.850 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.040 1.369 8.932 1.00 1.87 H new ATOM 816 N SER A 69 -3.654 2.825 2.989 1.00 0.31 N ATOM 817 CA SER A 69 -2.327 3.242 3.415 1.00 0.32 C ATOM 818 C SER A 69 -1.627 3.996 2.292 1.00 0.27 C ATOM 819 O SER A 69 -0.925 4.972 2.539 1.00 0.27 O ATOM 820 CB SER A 69 -1.496 2.044 3.871 1.00 0.43 C ATOM 821 OG SER A 69 -1.631 0.958 2.981 1.00 1.16 O ATOM 0 H SER A 69 -3.809 1.817 3.005 1.00 0.31 H new ATOM 0 HA SER A 69 -2.433 3.913 4.267 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.447 2.332 3.941 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.810 1.740 4.870 1.00 0.43 H new ATOM 0 HG SER A 69 -2.470 0.486 3.165 1.00 1.16 H new ATOM 827 N LEU A 70 -1.841 3.555 1.056 1.00 0.28 N ATOM 828 CA LEU A 70 -1.342 4.286 -0.103 1.00 0.31 C ATOM 829 C LEU A 70 -1.928 5.695 -0.163 1.00 0.31 C ATOM 830 O LEU A 70 -1.247 6.633 -0.555 1.00 0.38 O ATOM 831 CB LEU A 70 -1.676 3.565 -1.399 1.00 0.36 C ATOM 832 CG LEU A 70 -1.264 4.326 -2.656 1.00 0.46 C ATOM 833 CD1 LEU A 70 0.158 3.976 -3.062 1.00 1.25 C ATOM 834 CD2 LEU A 70 -2.248 4.065 -3.776 1.00 1.16 C ATOM 0 H LEU A 70 -2.353 2.701 0.832 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.259 4.347 0.008 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.185 2.592 -1.398 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.750 3.380 -1.434 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.283 5.394 -2.439 1.00 0.46 H new ATOM 0 HD11 LEU A 70 0.427 4.532 -3.960 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.842 4.238 -2.255 1.00 1.25 H new ATOM 0 HD13 LEU A 70 0.226 2.907 -3.263 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -1.941 4.615 -4.666 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -2.271 2.998 -3.998 1.00 1.16 H new ATOM 0 HD23 LEU A 70 -3.242 4.394 -3.471 1.00 1.16 H new ATOM 846 N ALA A 71 -3.187 5.841 0.219 1.00 0.26 N ATOM 847 CA ALA A 71 -3.837 7.142 0.197 1.00 0.30 C ATOM 848 C ALA A 71 -3.186 8.064 1.218 1.00 0.29 C ATOM 849 O ALA A 71 -2.901 9.227 0.927 1.00 0.36 O ATOM 850 CB ALA A 71 -5.325 6.996 0.461 1.00 0.32 C ATOM 0 H ALA A 71 -3.778 5.077 0.547 1.00 0.26 H new ATOM 0 HA ALA A 71 -3.716 7.584 -0.792 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -5.796 7.979 0.441 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.771 6.364 -0.307 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.478 6.540 1.439 1.00 0.32 H new ATOM 856 N TYR A 72 -2.939 7.526 2.411 1.00 0.25 N ATOM 857 CA TYR A 72 -2.154 8.228 3.422 1.00 0.25 C ATOM 858 C TYR A 72 -0.745 8.527 2.889 1.00 0.26 C ATOM 859 O TYR A 72 -0.135 9.540 3.230 1.00 0.30 O ATOM 860 CB TYR A 72 -2.047 7.387 4.698 1.00 0.25 C ATOM 861 CG TYR A 72 -3.335 7.239 5.490 1.00 0.29 C ATOM 862 CD1 TYR A 72 -3.842 8.289 6.243 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.025 6.036 5.502 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.000 8.144 6.985 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.178 5.880 6.244 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.664 6.935 6.981 1.00 0.43 C ATOM 867 OH TYR A 72 -6.807 6.770 7.728 1.00 0.52 O ATOM 0 H TYR A 72 -3.272 6.606 2.700 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.659 9.166 3.654 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.689 6.393 4.429 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.292 7.833 5.345 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.323 9.236 6.250 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.653 5.206 4.920 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.382 8.972 7.564 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.697 4.933 6.246 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.147 5.858 7.609 1.00 0.52 H new ATOM 877 N LEU A 73 -0.241 7.620 2.059 1.00 0.26 N ATOM 878 CA LEU A 73 1.069 7.767 1.425 1.00 0.30 C ATOM 879 C LEU A 73 1.080 8.894 0.398 1.00 0.37 C ATOM 880 O LEU A 73 2.078 9.596 0.245 1.00 0.50 O ATOM 881 CB LEU A 73 1.465 6.449 0.754 1.00 0.31 C ATOM 882 CG LEU A 73 2.218 5.469 1.647 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.144 4.060 1.081 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.663 5.903 1.774 1.00 0.43 C ATOM 0 H LEU A 73 -0.728 6.760 1.805 1.00 0.26 H new ATOM 0 HA LEU A 73 1.790 8.021 2.202 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.562 5.961 0.386 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.083 6.673 -0.115 1.00 0.31 H new ATOM 0 HG LEU A 73 1.753 5.466 2.633 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.688 3.377 1.733 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.102 3.748 1.017 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.590 4.044 0.086 1.00 0.33 H new ATOM 0 HD21 LEU A 73 4.199 5.201 2.413 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.125 5.922 0.787 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.706 6.899 2.214 1.00 0.43 H new ATOM 896 N ARG A 74 -0.030 9.060 -0.308 1.00 0.38 N ATOM 897 CA ARG A 74 -0.136 10.080 -1.343 1.00 0.48 C ATOM 898 C ARG A 74 -0.184 11.471 -0.728 1.00 0.53 C ATOM 899 O ARG A 74 0.327 12.431 -1.304 1.00 0.67 O ATOM 900 CB ARG A 74 -1.392 9.862 -2.190 1.00 0.51 C ATOM 901 CG ARG A 74 -1.474 8.496 -2.847 1.00 0.48 C ATOM 902 CD ARG A 74 -0.406 8.306 -3.912 1.00 1.19 C ATOM 903 NE ARG A 74 -0.702 9.069 -5.125 1.00 1.95 N ATOM 904 CZ ARG A 74 -0.164 8.810 -6.320 1.00 2.78 C ATOM 905 NH1 ARG A 74 0.750 7.860 -6.456 1.00 3.07 N ATOM 906 NH2 ARG A 74 -0.540 9.506 -7.382 1.00 3.53 N ATOM 0 H ARG A 74 -0.873 8.499 -0.182 1.00 0.38 H new ATOM 0 HA ARG A 74 0.746 9.999 -1.978 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.270 10.002 -1.559 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -1.431 10.628 -2.965 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.368 7.722 -2.087 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.459 8.369 -3.296 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.561 8.616 -3.515 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.325 7.248 -4.160 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.359 9.846 -5.054 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.048 7.319 -5.644 1.00 3.07 H new ATOM 0 HH12 ARG A 74 1.155 7.669 -7.373 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -1.241 10.241 -7.288 1.00 3.53 H new ATOM 0 HH22 ARG A 74 -0.128 9.307 -8.294 1.00 3.53 H new ATOM 920 N THR A 75 -0.804 11.573 0.440 1.00 0.48 N ATOM 921 CA THR A 75 -1.002 12.860 1.081 1.00 0.57 C ATOM 922 C THR A 75 0.235 13.298 1.878 1.00 0.70 C ATOM 923 O THR A 75 1.094 14.018 1.367 1.00 1.53 O ATOM 924 CB THR A 75 -2.245 12.819 2.002 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.129 11.743 2.947 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.512 12.622 1.185 1.00 0.49 C ATOM 0 H THR A 75 -1.177 10.779 0.960 1.00 0.48 H new ATOM 0 HA THR A 75 -1.165 13.596 0.293 1.00 0.57 H new ATOM 0 HB THR A 75 -2.301 13.770 2.532 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.224 12.095 3.857 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.374 12.596 1.851 1.00 0.49 H new ATOM 0 HG22 THR A 75 -3.623 13.446 0.481 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.449 11.682 0.637 1.00 0.49 H new ATOM 934 N GLU A 76 0.331 12.826 3.114 1.00 0.57 N ATOM 935 CA GLU A 76 1.415 13.207 4.023 1.00 0.59 C ATOM 936 C GLU A 76 1.306 12.420 5.324 1.00 0.42 C ATOM 937 O GLU A 76 1.850 12.807 6.358 1.00 0.45 O ATOM 938 CB GLU A 76 1.334 14.707 4.327 1.00 0.86 C ATOM 939 CG GLU A 76 0.007 15.119 4.947 1.00 1.85 C ATOM 940 CD GLU A 76 -0.124 16.611 5.124 1.00 2.38 C ATOM 941 OE1 GLU A 76 0.280 17.122 6.187 1.00 2.71 O ATOM 942 OE2 GLU A 76 -0.627 17.284 4.199 1.00 2.77 O ATOM 0 H GLU A 76 -0.337 12.169 3.518 1.00 0.57 H new ATOM 0 HA GLU A 76 2.370 12.983 3.547 1.00 0.59 H new ATOM 0 HB2 GLU A 76 2.144 14.979 5.003 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.487 15.267 3.405 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -0.808 14.761 4.318 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.101 14.633 5.917 1.00 1.85 H new ATOM 949 N CYS A 77 0.641 11.287 5.246 1.00 0.32 N ATOM 950 CA CYS A 77 0.209 10.557 6.422 1.00 0.32 C ATOM 951 C CYS A 77 0.955 9.248 6.554 1.00 0.32 C ATOM 952 O CYS A 77 0.395 8.250 6.996 1.00 0.35 O ATOM 953 CB CYS A 77 -1.285 10.301 6.332 1.00 0.33 C ATOM 954 SG CYS A 77 -2.292 11.797 6.200 1.00 0.37 S ATOM 0 H CYS A 77 0.383 10.844 4.364 1.00 0.32 H new ATOM 0 HA CYS A 77 0.427 11.156 7.306 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.481 9.668 5.467 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.599 9.742 7.214 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.548 11.470 6.126 1.00 0.37 H new ATOM 960 N TYR A 78 2.210 9.262 6.152 1.00 0.34 N ATOM 961 CA TYR A 78 3.041 8.065 6.120 1.00 0.38 C ATOM 962 C TYR A 78 3.056 7.337 7.467 1.00 0.41 C ATOM 963 O TYR A 78 3.225 6.121 7.510 1.00 0.43 O ATOM 964 CB TYR A 78 4.457 8.440 5.711 1.00 0.44 C ATOM 965 CG TYR A 78 4.500 9.562 4.701 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.918 9.420 3.450 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.111 10.769 5.008 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.947 10.449 2.530 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.143 11.804 4.094 1.00 0.66 C ATOM 970 CZ TYR A 78 4.561 11.638 2.856 1.00 0.66 C ATOM 971 OH TYR A 78 4.589 12.667 1.945 1.00 0.84 O ATOM 0 H TYR A 78 2.689 10.105 5.836 1.00 0.34 H new ATOM 0 HA TYR A 78 2.612 7.380 5.388 1.00 0.38 H new ATOM 0 HB2 TYR A 78 5.020 8.734 6.597 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.953 7.564 5.294 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.434 8.490 3.191 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.569 10.901 5.977 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.490 10.322 1.559 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.622 12.738 4.348 1.00 0.66 H new ATOM 0 HH TYR A 78 5.059 13.435 2.333 1.00 0.84 H new ATOM 981 N GLY A 79 2.884 8.081 8.558 1.00 0.43 N ATOM 982 CA GLY A 79 2.737 7.459 9.864 1.00 0.49 C ATOM 983 C GLY A 79 1.543 6.524 9.893 1.00 0.42 C ATOM 984 O GLY A 79 1.665 5.352 10.257 1.00 0.42 O ATOM 0 H GLY A 79 2.844 9.100 8.561 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.643 6.905 10.110 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.618 8.230 10.626 1.00 0.49 H new ATOM 988 N TYR A 80 0.392 7.044 9.476 1.00 0.38 N ATOM 989 CA TYR A 80 -0.812 6.232 9.331 1.00 0.36 C ATOM 990 C TYR A 80 -0.582 5.147 8.296 1.00 0.30 C ATOM 991 O TYR A 80 -0.968 4.004 8.493 1.00 0.32 O ATOM 992 CB TYR A 80 -2.003 7.078 8.878 1.00 0.40 C ATOM 993 CG TYR A 80 -2.513 8.069 9.894 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.465 7.694 10.832 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.070 9.384 9.893 1.00 1.06 C ATOM 996 CE1 TYR A 80 -3.962 8.607 11.743 1.00 1.28 C ATOM 997 CE2 TYR A 80 -2.556 10.299 10.804 1.00 1.34 C ATOM 998 CZ TYR A 80 -3.504 9.908 11.726 1.00 1.29 C ATOM 999 OH TYR A 80 -3.995 10.824 12.631 1.00 1.70 O ATOM 0 H TYR A 80 0.268 8.027 9.232 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.031 5.795 10.305 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.720 7.620 7.976 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.820 6.410 8.605 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -3.822 6.675 10.850 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -1.333 9.696 9.168 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -4.706 8.303 12.465 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -2.196 11.317 10.795 1.00 1.34 H new ATOM 0 HH TYR A 80 -3.566 11.693 12.483 1.00 1.70 H new ATOM 1009 N ALA A 81 0.052 5.532 7.195 1.00 0.28 N ATOM 1010 CA ALA A 81 0.314 4.628 6.083 1.00 0.28 C ATOM 1011 C ALA A 81 1.072 3.391 6.541 1.00 0.29 C ATOM 1012 O ALA A 81 0.696 2.270 6.210 1.00 0.33 O ATOM 1013 CB ALA A 81 1.086 5.352 4.992 1.00 0.31 C ATOM 0 H ALA A 81 0.399 6.480 7.048 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.644 4.299 5.681 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.277 4.667 4.166 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.501 6.199 4.634 1.00 0.31 H new ATOM 0 HB3 ALA A 81 2.034 5.709 5.393 1.00 0.31 H new ATOM 1019 N LEU A 82 2.127 3.600 7.316 1.00 0.30 N ATOM 1020 CA LEU A 82 2.930 2.499 7.826 1.00 0.34 C ATOM 1021 C LEU A 82 2.073 1.591 8.703 1.00 0.32 C ATOM 1022 O LEU A 82 2.126 0.367 8.580 1.00 0.37 O ATOM 1023 CB LEU A 82 4.144 3.040 8.599 1.00 0.42 C ATOM 1024 CG LEU A 82 5.223 2.014 8.985 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.808 1.211 10.199 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.521 1.080 7.823 1.00 0.52 C ATOM 0 H LEU A 82 2.447 4.524 7.606 1.00 0.30 H new ATOM 0 HA LEU A 82 3.303 1.908 6.989 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.613 3.818 7.997 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.784 3.516 9.511 1.00 0.42 H new ATOM 0 HG LEU A 82 6.128 2.569 9.232 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.591 0.495 10.447 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.650 1.883 11.043 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.883 0.677 9.983 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.287 0.363 8.119 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.613 0.546 7.543 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.877 1.660 6.972 1.00 0.52 H new ATOM 1038 N ASN A 83 1.270 2.194 9.567 1.00 0.32 N ATOM 1039 CA ASN A 83 0.407 1.435 10.463 1.00 0.39 C ATOM 1040 C ASN A 83 -0.657 0.683 9.677 1.00 0.38 C ATOM 1041 O ASN A 83 -0.925 -0.493 9.934 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.257 2.360 11.489 1.00 0.47 C ATOM 1043 CG ASN A 83 0.738 2.999 12.443 1.00 1.25 C ATOM 1044 OD1 ASN A 83 1.823 2.297 12.745 1.00 1.86 O flip ATOM 1045 ND2 ASN A 83 0.530 4.115 12.911 1.00 2.09 N flip ATOM 0 H ASN A 83 1.197 3.206 9.667 1.00 0.32 H new ATOM 0 HA ASN A 83 1.027 0.712 10.993 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.803 3.144 10.964 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.989 1.791 12.063 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -0.315 4.625 12.656 1.00 2.09 H new ATOM 0 HD22 ASN A 83 1.203 4.532 13.555 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.233 1.362 8.705 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.319 0.816 7.906 1.00 0.45 C ATOM 1054 C ASP A 84 -1.809 -0.302 6.998 1.00 0.42 C ATOM 1055 O ASP A 84 -2.440 -1.352 6.869 1.00 0.44 O ATOM 1056 CB ASP A 84 -2.952 1.937 7.080 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.412 1.684 6.769 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.093 1.066 7.609 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -4.899 2.143 5.716 1.00 1.19 O ATOM 0 H ASP A 84 -0.963 2.310 8.444 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.073 0.390 8.568 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.858 2.878 7.621 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.401 2.050 6.147 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.646 -0.082 6.397 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.021 -1.081 5.537 1.00 0.43 C ATOM 1066 C ALA A 85 0.405 -2.299 6.348 1.00 0.42 C ATOM 1067 O ALA A 85 0.270 -3.436 5.899 1.00 0.42 O ATOM 1068 CB ALA A 85 1.171 -0.485 4.807 1.00 0.48 C ATOM 0 H ALA A 85 -0.114 0.783 6.490 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.754 -1.402 4.797 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.625 -1.245 4.170 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.840 0.353 4.193 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.905 -0.135 5.533 1.00 0.48 H new ATOM 1074 N THR A 86 0.907 -2.058 7.556 1.00 0.42 N ATOM 1075 CA THR A 86 1.289 -3.145 8.448 1.00 0.44 C ATOM 1076 C THR A 86 0.056 -3.951 8.854 1.00 0.43 C ATOM 1077 O THR A 86 0.133 -5.163 9.066 1.00 0.44 O ATOM 1078 CB THR A 86 2.014 -2.613 9.704 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.204 -1.915 9.316 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.379 -3.741 10.662 1.00 0.55 C ATOM 0 H THR A 86 1.058 -1.124 7.937 1.00 0.42 H new ATOM 0 HA THR A 86 1.980 -3.794 7.910 1.00 0.44 H new ATOM 0 HB THR A 86 1.333 -1.936 10.220 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.966 -1.152 8.749 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.887 -3.328 11.533 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.472 -4.255 10.981 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.039 -4.447 10.158 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.087 -3.275 8.928 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.342 -3.939 9.240 1.00 0.43 C ATOM 1090 C ARG A 87 -2.749 -4.859 8.090 1.00 0.39 C ATOM 1091 O ARG A 87 -3.328 -5.923 8.312 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.446 -2.915 9.520 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.742 -3.541 10.014 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.528 -4.316 11.305 1.00 0.71 C ATOM 1095 NE ARG A 87 -5.743 -4.980 11.765 1.00 1.63 N ATOM 1096 CZ ARG A 87 -5.776 -5.839 12.780 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -4.660 -6.128 13.444 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -6.921 -6.406 13.133 1.00 3.28 N ATOM 0 H ARG A 87 -1.167 -2.270 8.776 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.200 -4.539 10.139 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.089 -2.202 10.263 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.648 -2.352 8.609 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.486 -2.761 10.175 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.140 -4.208 9.249 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -3.746 -5.060 11.153 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.174 -3.635 12.079 1.00 0.71 H new ATOM 0 HE ARG A 87 -6.617 -4.774 11.281 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -3.779 -5.691 13.175 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -4.686 -6.787 14.222 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -7.778 -6.184 12.626 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -6.945 -7.065 13.911 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.434 -4.454 6.862 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.675 -5.308 5.707 1.00 0.38 C ATOM 1114 C ALA A 88 -1.825 -6.561 5.793 1.00 0.39 C ATOM 1115 O ALA A 88 -2.300 -7.650 5.505 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.388 -4.585 4.406 1.00 0.42 C ATOM 0 H ALA A 88 -2.016 -3.549 6.644 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.730 -5.581 5.717 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.579 -5.255 3.568 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -3.033 -3.710 4.326 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.345 -4.270 4.387 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.567 -6.398 6.189 1.00 0.42 N ATOM 1123 CA ILE A 89 0.319 -7.537 6.409 1.00 0.47 C ATOM 1124 C ILE A 89 -0.255 -8.468 7.485 1.00 0.47 C ATOM 1125 O ILE A 89 -0.022 -9.669 7.468 1.00 0.59 O ATOM 1126 CB ILE A 89 1.742 -7.080 6.820 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.289 -6.043 5.832 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.688 -8.273 6.909 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.330 -6.520 4.397 1.00 1.15 C ATOM 0 H ILE A 89 -0.138 -5.489 6.364 1.00 0.42 H new ATOM 0 HA ILE A 89 0.392 -8.078 5.466 1.00 0.47 H new ATOM 0 HB ILE A 89 1.674 -6.617 7.804 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.675 -5.144 5.888 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.296 -5.760 6.139 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.681 -7.929 7.199 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.316 -8.977 7.653 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.744 -8.766 5.939 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.729 -5.729 3.762 1.00 1.15 H new ATOM 0 HD12 ILE A 89 2.969 -7.400 4.324 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.322 -6.775 4.069 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.029 -7.908 8.407 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.672 -8.701 9.450 1.00 0.43 C ATOM 1143 C GLU A 90 -2.854 -9.483 8.881 1.00 0.40 C ATOM 1144 O GLU A 90 -3.214 -10.546 9.386 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.153 -7.800 10.591 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.031 -7.126 11.360 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.187 -8.107 12.144 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.576 -8.468 13.270 1.00 0.82 O ATOM 1149 OE2 GLU A 90 0.865 -8.533 11.627 1.00 0.73 O ATOM 0 H GLU A 90 -1.227 -6.909 8.454 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.936 -9.405 9.839 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.811 -7.033 10.182 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.748 -8.395 11.284 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.394 -6.582 10.663 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.456 -6.391 12.044 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.457 -8.945 7.827 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.605 -9.583 7.188 1.00 0.39 C ATOM 1158 C LEU A 91 -4.143 -10.544 6.098 1.00 0.43 C ATOM 1159 O LEU A 91 -4.782 -11.566 5.832 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.522 -8.527 6.574 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.927 -7.383 7.501 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.783 -6.382 6.750 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.672 -7.902 8.717 1.00 0.45 C ATOM 0 H LEU A 91 -3.170 -8.067 7.395 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.152 -10.140 7.948 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -5.025 -8.104 5.701 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.427 -9.020 6.219 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.019 -6.888 7.847 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.066 -5.570 7.420 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.218 -5.978 5.910 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.681 -6.877 6.379 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.948 -7.066 9.359 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.573 -8.425 8.396 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.031 -8.588 9.271 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.022 -10.211 5.482 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.454 -10.997 4.412 1.00 0.53 C ATOM 1177 C ASP A 92 -0.959 -10.976 4.590 1.00 0.56 C ATOM 1178 O ASP A 92 -0.276 -10.087 4.079 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.826 -10.454 3.028 1.00 0.66 C ATOM 1180 CG ASP A 92 -2.889 -11.549 1.980 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.190 -12.573 2.134 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -3.675 -11.411 1.016 1.00 2.34 O ATOM 0 H ASP A 92 -2.479 -9.380 5.716 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.851 -12.011 4.461 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.792 -9.952 3.084 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.094 -9.705 2.725 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.466 -11.927 5.367 1.00 0.48 N ATOM 1188 CA LYS A 93 0.922 -11.922 5.787 1.00 0.50 C ATOM 1189 C LYS A 93 1.864 -11.847 4.611 1.00 0.55 C ATOM 1190 O LYS A 93 2.909 -11.212 4.697 1.00 0.64 O ATOM 1191 CB LYS A 93 1.234 -13.134 6.646 1.00 0.55 C ATOM 1192 CG LYS A 93 0.870 -12.948 8.105 1.00 0.73 C ATOM 1193 CD LYS A 93 1.714 -11.852 8.741 1.00 1.22 C ATOM 1194 CE LYS A 93 1.370 -11.665 10.208 1.00 1.76 C ATOM 1195 NZ LYS A 93 1.640 -12.894 11.003 1.00 2.61 N ATOM 0 H LYS A 93 -1.011 -12.714 5.720 1.00 0.48 H new ATOM 0 HA LYS A 93 1.074 -11.025 6.387 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.697 -13.997 6.252 1.00 0.55 H new ATOM 0 HB3 LYS A 93 2.298 -13.359 6.571 1.00 0.55 H new ATOM 0 HG2 LYS A 93 -0.187 -12.694 8.191 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.018 -13.884 8.643 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.770 -12.102 8.643 1.00 1.22 H new ATOM 0 HD3 LYS A 93 1.557 -10.915 8.207 1.00 1.22 H new ATOM 0 HE2 LYS A 93 1.949 -10.836 10.614 1.00 1.76 H new ATOM 0 HE3 LYS A 93 0.318 -11.395 10.303 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 1.605 -12.666 12.017 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 0.921 -13.613 10.785 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 2.582 -13.263 10.763 1.00 2.61 H new ATOM 1209 N LYS A 94 1.516 -12.493 3.511 1.00 0.55 N ATOM 1210 CA LYS A 94 2.274 -12.295 2.301 1.00 0.61 C ATOM 1211 C LYS A 94 1.403 -11.671 1.223 1.00 0.60 C ATOM 1212 O LYS A 94 0.594 -12.339 0.581 1.00 0.69 O ATOM 1213 CB LYS A 94 2.885 -13.611 1.809 1.00 0.76 C ATOM 1214 CG LYS A 94 3.641 -14.367 2.892 1.00 0.96 C ATOM 1215 CD LYS A 94 4.697 -15.293 2.312 1.00 1.17 C ATOM 1216 CE LYS A 94 5.956 -14.530 1.919 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.555 -13.819 3.083 1.00 2.11 N ATOM 0 H LYS A 94 0.733 -13.142 3.436 1.00 0.55 H new ATOM 0 HA LYS A 94 3.092 -11.610 2.524 1.00 0.61 H new ATOM 0 HB2 LYS A 94 2.092 -14.248 1.418 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.563 -13.402 0.981 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.115 -13.655 3.567 1.00 0.96 H new ATOM 0 HG3 LYS A 94 2.936 -14.949 3.487 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.949 -16.061 3.043 1.00 1.17 H new ATOM 0 HD3 LYS A 94 4.293 -15.805 1.438 1.00 1.17 H new ATOM 0 HE2 LYS A 94 6.686 -15.223 1.501 1.00 1.41 H new ATOM 0 HE3 LYS A 94 5.716 -13.810 1.137 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 7.583 -13.737 2.948 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 6.139 -12.869 3.161 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.361 -14.354 3.954 1.00 2.11 H new ATOM 1231 N TYR A 95 1.595 -10.381 1.044 1.00 0.53 N ATOM 1232 CA TYR A 95 1.069 -9.655 -0.091 1.00 0.58 C ATOM 1233 C TYR A 95 2.189 -8.766 -0.597 1.00 0.55 C ATOM 1234 O TYR A 95 2.637 -7.866 0.113 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.172 -8.823 0.284 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.816 -8.121 -0.900 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -0.819 -8.707 -2.157 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.401 -6.865 -0.769 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.385 -8.073 -3.244 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.967 -6.223 -1.855 1.00 1.12 C ATOM 1241 CZ TYR A 95 -1.953 -6.834 -3.091 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.513 -6.209 -4.181 1.00 1.46 O ATOM 0 H TYR A 95 2.128 -9.800 1.692 1.00 0.53 H new ATOM 0 HA TYR A 95 0.739 -10.349 -0.864 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.908 -9.476 0.753 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.112 -8.078 1.027 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.369 -9.680 -2.288 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.413 -6.383 0.198 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.381 -8.551 -4.212 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.417 -5.249 -1.736 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.875 -5.340 -3.910 1.00 1.46 H new ATOM 1252 N ILE A 96 2.669 -9.049 -1.795 1.00 0.56 N ATOM 1253 CA ILE A 96 3.881 -8.417 -2.298 1.00 0.55 C ATOM 1254 C ILE A 96 3.735 -6.903 -2.388 1.00 0.49 C ATOM 1255 O ILE A 96 4.578 -6.159 -1.882 1.00 0.45 O ATOM 1256 CB ILE A 96 4.287 -8.996 -3.665 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.466 -10.512 -3.559 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.566 -8.344 -4.163 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.396 -10.931 -2.440 1.00 0.83 C ATOM 0 H ILE A 96 2.239 -9.712 -2.440 1.00 0.56 H new ATOM 0 HA ILE A 96 4.672 -8.636 -1.581 1.00 0.55 H new ATOM 0 HB ILE A 96 3.495 -8.785 -4.383 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.492 -10.975 -3.404 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.853 -10.892 -4.505 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.837 -8.766 -5.131 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.410 -7.270 -4.267 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.369 -8.527 -3.449 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.477 -12.018 -2.422 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.382 -10.496 -2.604 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.999 -10.581 -1.487 1.00 0.83 H new ATOM 1271 N LYS A 97 2.663 -6.445 -3.012 1.00 0.54 N ATOM 1272 CA LYS A 97 2.385 -5.017 -3.078 1.00 0.55 C ATOM 1273 C LYS A 97 1.988 -4.478 -1.707 1.00 0.50 C ATOM 1274 O LYS A 97 2.003 -3.272 -1.479 1.00 0.51 O ATOM 1275 CB LYS A 97 1.302 -4.718 -4.115 1.00 0.71 C ATOM 1276 CG LYS A 97 1.804 -4.813 -5.547 1.00 1.28 C ATOM 1277 CD LYS A 97 0.730 -4.429 -6.553 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.354 -5.490 -6.658 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.446 -5.071 -7.576 1.00 1.59 N ATOM 0 H LYS A 97 1.974 -7.035 -3.478 1.00 0.54 H new ATOM 0 HA LYS A 97 3.298 -4.510 -3.390 1.00 0.55 H new ATOM 0 HB2 LYS A 97 0.475 -5.415 -3.979 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.907 -3.717 -3.941 1.00 0.71 H new ATOM 0 HG2 LYS A 97 2.668 -4.161 -5.672 1.00 1.28 H new ATOM 0 HG3 LYS A 97 2.141 -5.830 -5.747 1.00 1.28 H new ATOM 0 HD2 LYS A 97 0.282 -3.480 -6.261 1.00 1.65 H new ATOM 0 HD3 LYS A 97 1.186 -4.278 -7.531 1.00 1.65 H new ATOM 0 HE2 LYS A 97 0.083 -6.423 -7.014 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -0.766 -5.688 -5.669 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -2.167 -5.819 -7.622 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.879 -4.194 -7.222 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.057 -4.906 -8.526 1.00 1.59 H new ATOM 1293 N GLY A 98 1.664 -5.383 -0.790 1.00 0.51 N ATOM 1294 CA GLY A 98 1.341 -4.986 0.566 1.00 0.52 C ATOM 1295 C GLY A 98 2.586 -4.578 1.324 1.00 0.43 C ATOM 1296 O GLY A 98 2.624 -3.513 1.941 1.00 0.48 O ATOM 0 H GLY A 98 1.620 -6.387 -0.963 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.634 -4.156 0.547 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.850 -5.811 1.083 1.00 0.52 H new ATOM 1300 N TYR A 99 3.614 -5.430 1.267 1.00 0.35 N ATOM 1301 CA TYR A 99 4.920 -5.090 1.823 1.00 0.29 C ATOM 1302 C TYR A 99 5.420 -3.798 1.185 1.00 0.31 C ATOM 1303 O TYR A 99 5.960 -2.918 1.850 1.00 0.32 O ATOM 1304 CB TYR A 99 5.967 -6.172 1.524 1.00 0.30 C ATOM 1305 CG TYR A 99 5.687 -7.570 2.038 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.356 -7.824 3.367 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.809 -8.654 1.177 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.153 -9.115 3.812 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.616 -9.944 1.618 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.289 -10.171 2.935 1.00 0.72 C ATOM 1311 OH TYR A 99 5.110 -11.458 3.382 1.00 0.92 O ATOM 0 H TYR A 99 3.564 -6.356 0.842 1.00 0.35 H new ATOM 0 HA TYR A 99 4.795 -4.992 2.901 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.094 -6.229 0.443 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.920 -5.844 1.940 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.257 -7.000 4.058 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.060 -8.481 0.141 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.889 -9.298 4.843 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.721 -10.773 0.934 1.00 1.11 H new ATOM 0 HH TYR A 99 4.486 -11.458 4.138 1.00 0.92 H new ATOM 1321 N TYR A 100 5.219 -3.718 -0.127 1.00 0.34 N ATOM 1322 CA TYR A 100 5.679 -2.600 -0.949 1.00 0.37 C ATOM 1323 C TYR A 100 5.127 -1.268 -0.426 1.00 0.39 C ATOM 1324 O TYR A 100 5.820 -0.249 -0.436 1.00 0.42 O ATOM 1325 CB TYR A 100 5.231 -2.849 -2.395 1.00 0.42 C ATOM 1326 CG TYR A 100 5.947 -2.039 -3.457 1.00 0.43 C ATOM 1327 CD1 TYR A 100 7.111 -2.515 -4.059 1.00 0.46 C ATOM 1328 CD2 TYR A 100 5.436 -0.824 -3.891 1.00 0.51 C ATOM 1329 CE1 TYR A 100 7.741 -1.797 -5.063 1.00 0.55 C ATOM 1330 CE2 TYR A 100 6.064 -0.101 -4.886 1.00 0.60 C ATOM 1331 CZ TYR A 100 7.210 -0.592 -5.470 1.00 0.60 C ATOM 1332 OH TYR A 100 7.816 0.118 -6.479 1.00 0.73 O ATOM 0 H TYR A 100 4.726 -4.436 -0.657 1.00 0.34 H new ATOM 0 HA TYR A 100 6.766 -2.534 -0.905 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.366 -3.907 -2.620 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.163 -2.642 -2.465 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.528 -3.458 -3.738 1.00 0.46 H new ATOM 0 HD2 TYR A 100 4.532 -0.437 -3.443 1.00 0.51 H new ATOM 0 HE1 TYR A 100 8.641 -2.179 -5.523 1.00 0.55 H new ATOM 0 HE2 TYR A 100 5.657 0.847 -5.205 1.00 0.60 H new ATOM 0 HH TYR A 100 7.575 -0.273 -7.345 1.00 0.73 H new ATOM 1342 N ARG A 101 3.882 -1.287 0.042 1.00 0.41 N ATOM 1343 CA ARG A 101 3.257 -0.097 0.620 1.00 0.46 C ATOM 1344 C ARG A 101 3.867 0.224 1.979 1.00 0.43 C ATOM 1345 O ARG A 101 4.136 1.384 2.299 1.00 0.46 O ATOM 1346 CB ARG A 101 1.747 -0.301 0.768 1.00 0.53 C ATOM 1347 CG ARG A 101 1.047 -0.579 -0.546 1.00 0.82 C ATOM 1348 CD ARG A 101 1.221 0.575 -1.517 1.00 1.06 C ATOM 1349 NE ARG A 101 0.852 0.205 -2.880 1.00 1.18 N ATOM 1350 CZ ARG A 101 -0.393 0.221 -3.346 1.00 1.58 C ATOM 1351 NH1 ARG A 101 -1.414 0.478 -2.534 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.623 -0.044 -4.623 1.00 1.89 N ATOM 0 H ARG A 101 3.284 -2.113 0.033 1.00 0.41 H new ATOM 0 HA ARG A 101 3.438 0.740 -0.055 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.565 -1.131 1.451 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.310 0.588 1.223 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.446 -1.492 -0.987 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.015 -0.749 -0.366 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.610 1.417 -1.192 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.258 0.909 -1.501 1.00 1.06 H new ATOM 0 HE ARG A 101 1.596 -0.084 -3.515 1.00 1.18 H new ATOM 0 HH11 ARG A 101 -1.245 0.665 -1.546 1.00 2.34 H new ATOM 0 HH12 ARG A 101 -2.366 0.488 -2.900 1.00 2.34 H new ATOM 0 HH21 ARG A 101 0.154 -0.260 -5.247 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -1.578 -0.032 -4.982 1.00 1.89 H new ATOM 1366 N ARG A 102 4.092 -0.819 2.766 1.00 0.41 N ATOM 1367 CA ARG A 102 4.690 -0.678 4.086 1.00 0.43 C ATOM 1368 C ARG A 102 6.091 -0.089 3.964 1.00 0.37 C ATOM 1369 O ARG A 102 6.467 0.820 4.706 1.00 0.38 O ATOM 1370 CB ARG A 102 4.752 -2.043 4.772 1.00 0.52 C ATOM 1371 CG ARG A 102 5.164 -1.976 6.229 1.00 0.87 C ATOM 1372 CD ARG A 102 5.306 -3.363 6.819 1.00 1.12 C ATOM 1373 NE ARG A 102 5.467 -3.324 8.268 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.468 -3.908 8.920 1.00 2.58 C ATOM 1375 NH1 ARG A 102 7.462 -4.483 8.250 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.494 -3.883 10.246 1.00 3.57 N ATOM 0 H ARG A 102 3.867 -1.780 2.510 1.00 0.41 H new ATOM 0 HA ARG A 102 4.078 -0.005 4.686 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.774 -2.519 4.702 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.455 -2.678 4.234 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.109 -1.441 6.319 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.423 -1.411 6.794 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.427 -3.956 6.567 1.00 1.12 H new ATOM 0 HD3 ARG A 102 6.166 -3.862 6.372 1.00 1.12 H new ATOM 0 HE ARG A 102 4.770 -2.818 8.814 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.460 -4.478 7.230 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.227 -4.929 8.756 1.00 2.78 H new ATOM 0 HH21 ARG A 102 5.748 -3.417 10.762 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.260 -4.330 10.750 1.00 3.57 H new ATOM 1390 N ALA A 103 6.841 -0.601 2.998 1.00 0.34 N ATOM 1391 CA ALA A 103 8.194 -0.140 2.741 1.00 0.32 C ATOM 1392 C ALA A 103 8.211 1.327 2.341 1.00 0.33 C ATOM 1393 O ALA A 103 9.089 2.077 2.755 1.00 0.35 O ATOM 1394 CB ALA A 103 8.836 -0.985 1.655 1.00 0.33 C ATOM 0 H ALA A 103 6.528 -1.345 2.374 1.00 0.34 H new ATOM 0 HA ALA A 103 8.766 -0.244 3.663 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.850 -0.631 1.470 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.868 -2.026 1.975 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.251 -0.905 0.739 1.00 0.33 H new ATOM 1400 N ALA A 104 7.225 1.736 1.555 1.00 0.33 N ATOM 1401 CA ALA A 104 7.146 3.110 1.092 1.00 0.35 C ATOM 1402 C ALA A 104 6.892 4.039 2.266 1.00 0.35 C ATOM 1403 O ALA A 104 7.380 5.167 2.301 1.00 0.38 O ATOM 1404 CB ALA A 104 6.053 3.260 0.045 1.00 0.39 C ATOM 0 H ALA A 104 6.470 1.134 1.226 1.00 0.33 H new ATOM 0 HA ALA A 104 8.096 3.379 0.631 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.009 4.296 -0.290 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.272 2.613 -0.805 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.093 2.978 0.478 1.00 0.39 H new ATOM 1410 N SER A 105 6.140 3.542 3.237 1.00 0.34 N ATOM 1411 CA SER A 105 5.840 4.310 4.428 1.00 0.36 C ATOM 1412 C SER A 105 7.087 4.436 5.302 1.00 0.34 C ATOM 1413 O SER A 105 7.442 5.534 5.727 1.00 0.33 O ATOM 1414 CB SER A 105 4.701 3.657 5.203 1.00 0.40 C ATOM 1415 OG SER A 105 3.632 3.305 4.340 1.00 0.64 O ATOM 0 H SER A 105 5.728 2.609 3.220 1.00 0.34 H new ATOM 0 HA SER A 105 5.525 5.311 4.133 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.068 2.767 5.714 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.342 4.341 5.972 1.00 0.40 H new ATOM 0 HG SER A 105 3.891 2.532 3.796 1.00 0.64 H new ATOM 1421 N ASN A 106 7.764 3.310 5.540 1.00 0.36 N ATOM 1422 CA ASN A 106 9.017 3.306 6.298 1.00 0.37 C ATOM 1423 C ASN A 106 10.053 4.199 5.628 1.00 0.36 C ATOM 1424 O ASN A 106 10.750 4.967 6.292 1.00 0.37 O ATOM 1425 CB ASN A 106 9.577 1.881 6.430 1.00 0.40 C ATOM 1426 CG ASN A 106 8.988 1.117 7.600 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.647 1.703 8.627 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.875 -0.197 7.464 1.00 1.32 N ATOM 0 H ASN A 106 7.465 2.389 5.219 1.00 0.36 H new ATOM 0 HA ASN A 106 8.801 3.692 7.294 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.379 1.333 5.509 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.660 1.932 6.545 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.494 -0.758 8.226 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.169 -0.647 6.597 1.00 1.32 H new ATOM 1435 N MET A 107 10.129 4.097 4.306 1.00 0.38 N ATOM 1436 CA MET A 107 11.068 4.881 3.513 1.00 0.40 C ATOM 1437 C MET A 107 10.791 6.368 3.701 1.00 0.40 C ATOM 1438 O MET A 107 11.698 7.160 3.949 1.00 0.45 O ATOM 1439 CB MET A 107 10.933 4.499 2.035 1.00 0.46 C ATOM 1440 CG MET A 107 12.251 4.422 1.281 1.00 0.44 C ATOM 1441 SD MET A 107 13.035 6.023 1.039 1.00 1.26 S ATOM 1442 CE MET A 107 14.491 5.527 0.122 1.00 0.70 C ATOM 0 H MET A 107 9.543 3.470 3.755 1.00 0.38 H new ATOM 0 HA MET A 107 12.085 4.671 3.844 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.433 3.533 1.967 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.289 5.227 1.542 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.934 3.771 1.826 1.00 0.44 H new ATOM 0 HG3 MET A 107 12.078 3.961 0.309 1.00 0.44 H new ATOM 0 HE1 MET A 107 15.385 5.829 0.668 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.491 4.444 -0.003 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.485 6.005 -0.857 1.00 0.70 H new ATOM 1452 N ALA A 108 9.515 6.726 3.624 1.00 0.36 N ATOM 1453 CA ALA A 108 9.088 8.112 3.750 1.00 0.38 C ATOM 1454 C ALA A 108 9.257 8.633 5.179 1.00 0.39 C ATOM 1455 O ALA A 108 9.357 9.838 5.399 1.00 0.43 O ATOM 1456 CB ALA A 108 7.641 8.246 3.304 1.00 0.38 C ATOM 0 H ALA A 108 8.751 6.067 3.473 1.00 0.36 H new ATOM 0 HA ALA A 108 9.724 8.720 3.107 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.325 9.285 3.400 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.551 7.934 2.264 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.008 7.615 3.928 1.00 0.38 H new ATOM 1462 N LEU A 109 9.288 7.719 6.146 1.00 0.38 N ATOM 1463 CA LEU A 109 9.443 8.091 7.551 1.00 0.40 C ATOM 1464 C LEU A 109 10.912 8.268 7.925 1.00 0.43 C ATOM 1465 O LEU A 109 11.227 8.764 9.006 1.00 0.65 O ATOM 1466 CB LEU A 109 8.808 7.036 8.461 1.00 0.38 C ATOM 1467 CG LEU A 109 7.283 6.937 8.389 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.783 5.787 9.247 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.640 8.245 8.829 1.00 0.82 C ATOM 0 H LEU A 109 9.208 6.715 5.983 1.00 0.38 H new ATOM 0 HA LEU A 109 8.934 9.045 7.691 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.230 6.063 8.210 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.093 7.251 9.491 1.00 0.38 H new ATOM 0 HG LEU A 109 7.001 6.745 7.354 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.696 5.732 9.184 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.215 4.852 8.890 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.078 5.951 10.283 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.555 8.155 8.771 1.00 0.82 H new ATOM 0 HD22 LEU A 109 6.931 8.466 9.856 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.973 9.052 8.176 1.00 0.82 H new ATOM 1481 N GLY A 110 11.804 7.857 7.037 1.00 0.39 N ATOM 1482 CA GLY A 110 13.223 7.976 7.308 1.00 0.41 C ATOM 1483 C GLY A 110 13.823 6.680 7.812 1.00 0.39 C ATOM 1484 O GLY A 110 15.010 6.618 8.139 1.00 0.47 O ATOM 0 H GLY A 110 11.572 7.443 6.134 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.740 8.283 6.399 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.385 8.760 8.047 1.00 0.41 H new ATOM 1488 N LYS A 111 13.003 5.641 7.873 1.00 0.36 N ATOM 1489 CA LYS A 111 13.465 4.322 8.275 1.00 0.38 C ATOM 1490 C LYS A 111 13.932 3.554 7.046 1.00 0.30 C ATOM 1491 O LYS A 111 13.291 2.599 6.612 1.00 0.32 O ATOM 1492 CB LYS A 111 12.350 3.557 8.991 1.00 0.53 C ATOM 1493 CG LYS A 111 11.989 4.135 10.352 1.00 0.74 C ATOM 1494 CD LYS A 111 10.672 3.578 10.872 1.00 0.54 C ATOM 1495 CE LYS A 111 10.739 2.077 11.110 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.625 1.718 12.251 1.00 1.73 N ATOM 0 H LYS A 111 12.009 5.687 7.648 1.00 0.36 H new ATOM 0 HA LYS A 111 14.299 4.432 8.969 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.461 3.553 8.360 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.656 2.519 9.117 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.784 3.912 11.064 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.921 5.220 10.279 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.409 4.081 11.803 1.00 0.54 H new ATOM 0 HD3 LYS A 111 9.879 3.796 10.157 1.00 0.54 H new ATOM 0 HE2 LYS A 111 9.735 1.698 11.301 1.00 1.22 H new ATOM 0 HE3 LYS A 111 11.099 1.585 10.206 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.557 0.697 12.435 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.608 1.963 12.017 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 11.330 2.243 13.099 1.00 1.73 H new ATOM 1510 N PHE A 112 15.047 4.004 6.484 1.00 0.30 N ATOM 1511 CA PHE A 112 15.554 3.471 5.225 1.00 0.29 C ATOM 1512 C PHE A 112 15.969 2.008 5.343 1.00 0.30 C ATOM 1513 O PHE A 112 15.846 1.250 4.386 1.00 0.34 O ATOM 1514 CB PHE A 112 16.730 4.316 4.734 1.00 0.35 C ATOM 1515 CG PHE A 112 16.392 5.772 4.609 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.550 6.217 3.604 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.897 6.693 5.509 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.222 7.555 3.498 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.572 8.031 5.409 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.735 8.463 4.402 1.00 0.53 C ATOM 0 H PHE A 112 15.623 4.744 6.885 1.00 0.30 H new ATOM 0 HA PHE A 112 14.742 3.519 4.499 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.566 4.200 5.423 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.061 3.941 3.766 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.145 5.510 2.895 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.554 6.361 6.300 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.565 7.890 2.709 1.00 0.48 H new ATOM 0 HE2 PHE A 112 16.973 8.739 6.119 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.481 9.510 4.321 1.00 0.53 H new ATOM 1530 N ARG A 113 16.448 1.599 6.509 1.00 0.34 N ATOM 1531 CA ARG A 113 16.858 0.213 6.688 1.00 0.38 C ATOM 1532 C ARG A 113 15.636 -0.659 6.923 1.00 0.34 C ATOM 1533 O ARG A 113 15.559 -1.781 6.427 1.00 0.34 O ATOM 1534 CB ARG A 113 17.844 0.063 7.845 1.00 0.49 C ATOM 1535 CG ARG A 113 19.089 0.924 7.703 1.00 1.21 C ATOM 1536 CD ARG A 113 20.212 0.424 8.597 1.00 1.58 C ATOM 1537 NE ARG A 113 19.797 0.292 9.991 1.00 2.42 N ATOM 1538 CZ ARG A 113 19.838 -0.851 10.675 1.00 3.14 C ATOM 1539 NH1 ARG A 113 20.231 -1.976 10.083 1.00 3.25 N ATOM 1540 NH2 ARG A 113 19.475 -0.873 11.949 1.00 4.15 N ATOM 0 H ARG A 113 16.561 2.193 7.330 1.00 0.34 H new ATOM 0 HA ARG A 113 17.365 -0.109 5.779 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.339 0.320 8.776 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.143 -0.982 7.923 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.419 0.921 6.664 1.00 1.21 H new ATOM 0 HG3 ARG A 113 18.851 1.957 7.958 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.561 -0.542 8.232 1.00 1.58 H new ATOM 0 HD3 ARG A 113 21.055 1.112 8.535 1.00 1.58 H new ATOM 0 HE ARG A 113 19.455 1.125 10.470 1.00 2.42 H new ATOM 0 HH11 ARG A 113 20.503 -1.967 9.100 1.00 3.25 H new ATOM 0 HH12 ARG A 113 20.260 -2.847 10.612 1.00 3.25 H new ATOM 0 HH21 ARG A 113 19.164 -0.015 12.406 1.00 4.15 H new ATOM 0 HH22 ARG A 113 19.506 -1.747 12.473 1.00 4.15 H new ATOM 1554 N ALA A 114 14.670 -0.123 7.661 1.00 0.34 N ATOM 1555 CA ALA A 114 13.416 -0.823 7.899 1.00 0.34 C ATOM 1556 C ALA A 114 12.662 -1.002 6.589 1.00 0.28 C ATOM 1557 O ALA A 114 12.156 -2.086 6.295 1.00 0.30 O ATOM 1558 CB ALA A 114 12.566 -0.070 8.911 1.00 0.40 C ATOM 0 H ALA A 114 14.733 0.794 8.104 1.00 0.34 H new ATOM 0 HA ALA A 114 13.637 -1.808 8.311 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.633 -0.609 9.075 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.109 0.012 9.853 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.346 0.928 8.531 1.00 0.40 H new ATOM 1564 N ALA A 115 12.627 0.062 5.792 1.00 0.26 N ATOM 1565 CA ALA A 115 11.978 0.035 4.492 1.00 0.23 C ATOM 1566 C ALA A 115 12.695 -0.929 3.573 1.00 0.23 C ATOM 1567 O ALA A 115 12.074 -1.624 2.770 1.00 0.25 O ATOM 1568 CB ALA A 115 11.973 1.422 3.877 1.00 0.23 C ATOM 0 H ALA A 115 13.046 0.961 6.030 1.00 0.26 H new ATOM 0 HA ALA A 115 10.948 -0.297 4.625 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.484 1.387 2.904 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.433 2.108 4.530 1.00 0.23 H new ATOM 0 HB3 ALA A 115 12.999 1.770 3.755 1.00 0.23 H new ATOM 1574 N LEU A 116 14.012 -0.972 3.709 1.00 0.24 N ATOM 1575 CA LEU A 116 14.823 -1.857 2.904 1.00 0.28 C ATOM 1576 C LEU A 116 14.479 -3.303 3.196 1.00 0.29 C ATOM 1577 O LEU A 116 14.564 -4.141 2.319 1.00 0.30 O ATOM 1578 CB LEU A 116 16.309 -1.630 3.153 1.00 0.32 C ATOM 1579 CG LEU A 116 17.225 -2.419 2.223 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.978 -2.015 0.784 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.679 -2.216 2.601 1.00 0.49 C ATOM 0 H LEU A 116 14.537 -0.401 4.372 1.00 0.24 H new ATOM 0 HA LEU A 116 14.609 -1.636 1.858 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.526 -0.568 3.044 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.538 -1.898 4.184 1.00 0.32 H new ATOM 0 HG LEU A 116 16.999 -3.480 2.328 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.637 -2.584 0.128 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.940 -2.220 0.522 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.179 -0.950 0.665 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.314 -2.788 1.925 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.930 -1.158 2.527 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.840 -2.556 3.624 1.00 0.49 H new ATOM 1593 N ARG A 117 14.082 -3.590 4.430 1.00 0.34 N ATOM 1594 CA ARG A 117 13.710 -4.947 4.810 1.00 0.40 C ATOM 1595 C ARG A 117 12.421 -5.335 4.113 1.00 0.34 C ATOM 1596 O ARG A 117 12.268 -6.459 3.625 1.00 0.35 O ATOM 1597 CB ARG A 117 13.520 -5.063 6.319 1.00 0.57 C ATOM 1598 CG ARG A 117 14.739 -4.672 7.130 1.00 0.70 C ATOM 1599 CD ARG A 117 14.458 -4.791 8.612 1.00 1.01 C ATOM 1600 NE ARG A 117 14.262 -6.182 9.017 1.00 1.90 N ATOM 1601 CZ ARG A 117 13.438 -6.569 9.991 1.00 2.55 C ATOM 1602 NH1 ARG A 117 12.753 -5.669 10.688 1.00 2.45 N ATOM 1603 NH2 ARG A 117 13.293 -7.859 10.267 1.00 3.56 N ATOM 0 H ARG A 117 14.010 -2.904 5.182 1.00 0.34 H new ATOM 0 HA ARG A 117 14.515 -5.617 4.509 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.682 -4.434 6.618 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.250 -6.091 6.562 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.580 -5.311 6.862 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.028 -3.648 6.891 1.00 0.70 H new ATOM 0 HD2 ARG A 117 15.287 -4.362 9.175 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.569 -4.211 8.861 1.00 1.01 H new ATOM 0 HE ARG A 117 14.789 -6.902 8.523 1.00 1.90 H new ATOM 0 HH11 ARG A 117 12.856 -4.676 10.479 1.00 2.45 H new ATOM 0 HH12 ARG A 117 12.124 -5.971 11.432 1.00 2.45 H new ATOM 0 HH21 ARG A 117 13.812 -8.556 9.734 1.00 3.56 H new ATOM 0 HH22 ARG A 117 12.662 -8.153 11.013 1.00 3.56 H new ATOM 1617 N ASP A 118 11.498 -4.388 4.058 1.00 0.33 N ATOM 1618 CA ASP A 118 10.215 -4.625 3.424 1.00 0.33 C ATOM 1619 C ASP A 118 10.396 -4.758 1.914 1.00 0.28 C ATOM 1620 O ASP A 118 9.891 -5.698 1.299 1.00 0.31 O ATOM 1621 CB ASP A 118 9.224 -3.506 3.746 1.00 0.40 C ATOM 1622 CG ASP A 118 8.810 -3.470 5.206 1.00 0.63 C ATOM 1623 OD1 ASP A 118 8.040 -4.356 5.636 1.00 0.77 O ATOM 1624 OD2 ASP A 118 9.244 -2.546 5.928 1.00 1.06 O ATOM 0 H ASP A 118 11.615 -3.451 4.444 1.00 0.33 H new ATOM 0 HA ASP A 118 9.806 -5.556 3.817 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.670 -2.548 3.479 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.335 -3.628 3.127 1.00 0.40 H new ATOM 1629 N TYR A 119 11.147 -3.824 1.327 1.00 0.24 N ATOM 1630 CA TYR A 119 11.473 -3.877 -0.099 1.00 0.26 C ATOM 1631 C TYR A 119 12.259 -5.140 -0.426 1.00 0.28 C ATOM 1632 O TYR A 119 12.043 -5.772 -1.460 1.00 0.33 O ATOM 1633 CB TYR A 119 12.299 -2.658 -0.520 1.00 0.28 C ATOM 1634 CG TYR A 119 11.505 -1.387 -0.710 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.328 -1.381 -1.449 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.945 -0.188 -0.166 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.610 -0.214 -1.635 1.00 0.46 C ATOM 1638 CE2 TYR A 119 11.238 0.982 -0.352 1.00 0.47 C ATOM 1639 CZ TYR A 119 10.073 0.966 -1.086 1.00 0.50 C ATOM 1640 OH TYR A 119 9.375 2.137 -1.282 1.00 0.60 O ATOM 0 H TYR A 119 11.541 -3.021 1.818 1.00 0.24 H new ATOM 0 HA TYR A 119 10.531 -3.880 -0.647 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.067 -2.480 0.233 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.814 -2.890 -1.452 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.969 -2.302 -1.885 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.857 -0.171 0.413 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.693 -0.225 -2.206 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.597 1.906 0.076 1.00 0.47 H new ATOM 0 HH TYR A 119 9.836 2.873 -0.828 1.00 0.60 H new ATOM 1650 N GLU A 120 13.177 -5.485 0.467 1.00 0.28 N ATOM 1651 CA GLU A 120 14.017 -6.665 0.320 1.00 0.34 C ATOM 1652 C GLU A 120 13.159 -7.897 0.144 1.00 0.37 C ATOM 1653 O GLU A 120 13.401 -8.717 -0.731 1.00 0.43 O ATOM 1654 CB GLU A 120 14.885 -6.830 1.562 1.00 0.36 C ATOM 1655 CG GLU A 120 16.088 -7.731 1.371 1.00 0.42 C ATOM 1656 CD GLU A 120 16.752 -8.077 2.682 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.624 -7.311 3.134 1.00 0.58 O ATOM 1658 OE2 GLU A 120 16.395 -9.114 3.278 1.00 0.61 O ATOM 0 H GLU A 120 13.360 -4.952 1.317 1.00 0.28 H new ATOM 0 HA GLU A 120 14.649 -6.541 -0.559 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.230 -5.847 1.882 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.271 -7.231 2.369 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.778 -8.648 0.869 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.809 -7.239 0.719 1.00 0.42 H new ATOM 1665 N THR A 121 12.151 -8.014 0.985 1.00 0.36 N ATOM 1666 CA THR A 121 11.232 -9.131 0.926 1.00 0.40 C ATOM 1667 C THR A 121 10.555 -9.198 -0.441 1.00 0.40 C ATOM 1668 O THR A 121 10.451 -10.268 -1.042 1.00 0.45 O ATOM 1669 CB THR A 121 10.174 -9.013 2.027 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.819 -8.843 3.297 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.293 -10.252 2.055 1.00 0.47 C ATOM 0 H THR A 121 11.947 -7.341 1.724 1.00 0.36 H new ATOM 0 HA THR A 121 11.801 -10.048 1.080 1.00 0.40 H new ATOM 0 HB THR A 121 9.546 -8.147 1.820 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.159 -7.927 3.371 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.547 -10.150 2.843 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.792 -10.364 1.094 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.908 -11.131 2.248 1.00 0.47 H new ATOM 1679 N VAL A 122 10.126 -8.043 -0.936 1.00 0.37 N ATOM 1680 CA VAL A 122 9.498 -7.951 -2.249 1.00 0.39 C ATOM 1681 C VAL A 122 10.427 -8.485 -3.339 1.00 0.44 C ATOM 1682 O VAL A 122 10.013 -9.273 -4.194 1.00 0.50 O ATOM 1683 CB VAL A 122 9.105 -6.493 -2.585 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.481 -6.408 -3.969 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.155 -5.935 -1.535 1.00 0.36 C ATOM 0 H VAL A 122 10.202 -7.152 -0.445 1.00 0.37 H new ATOM 0 HA VAL A 122 8.595 -8.561 -2.214 1.00 0.39 H new ATOM 0 HB VAL A 122 10.012 -5.889 -2.581 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.212 -5.374 -4.184 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.196 -6.759 -4.713 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.586 -7.030 -4.004 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.892 -4.909 -1.791 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.252 -6.544 -1.502 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.640 -5.952 -0.559 1.00 0.36 H new ATOM 1695 N VAL A 123 11.687 -8.073 -3.290 1.00 0.44 N ATOM 1696 CA VAL A 123 12.656 -8.460 -4.306 1.00 0.51 C ATOM 1697 C VAL A 123 13.150 -9.892 -4.076 1.00 0.57 C ATOM 1698 O VAL A 123 13.697 -10.523 -4.975 1.00 0.67 O ATOM 1699 CB VAL A 123 13.850 -7.473 -4.352 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.843 -7.732 -3.229 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.534 -7.516 -5.709 1.00 0.59 C ATOM 0 H VAL A 123 12.062 -7.471 -2.557 1.00 0.44 H new ATOM 0 HA VAL A 123 12.151 -8.422 -5.271 1.00 0.51 H new ATOM 0 HB VAL A 123 13.451 -6.470 -4.202 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.664 -7.019 -3.298 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.343 -7.618 -2.267 1.00 0.48 H new ATOM 0 HG13 VAL A 123 15.235 -8.746 -3.316 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.369 -6.815 -5.718 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.904 -8.524 -5.898 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.820 -7.240 -6.485 1.00 0.59 H new ATOM 1711 N LYS A 124 12.943 -10.407 -2.869 1.00 0.55 N ATOM 1712 CA LYS A 124 13.300 -11.788 -2.562 1.00 0.61 C ATOM 1713 C LYS A 124 12.225 -12.746 -3.053 1.00 0.63 C ATOM 1714 O LYS A 124 12.455 -13.950 -3.167 1.00 0.72 O ATOM 1715 CB LYS A 124 13.538 -11.977 -1.061 1.00 0.62 C ATOM 1716 CG LYS A 124 14.853 -11.374 -0.590 1.00 0.67 C ATOM 1717 CD LYS A 124 15.137 -11.670 0.874 1.00 0.75 C ATOM 1718 CE LYS A 124 14.107 -11.037 1.790 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.529 -11.084 3.212 1.00 1.07 N ATOM 0 H LYS A 124 12.532 -9.892 -2.090 1.00 0.55 H new ATOM 0 HA LYS A 124 14.230 -12.014 -3.084 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.716 -11.522 -0.508 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.528 -13.042 -0.828 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.667 -11.764 -1.201 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.829 -10.295 -0.741 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.148 -12.749 1.031 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.129 -11.300 1.133 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.945 -10.001 1.493 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.154 -11.554 1.677 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.806 -10.627 3.804 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.643 -12.075 3.508 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.434 -10.584 3.322 1.00 1.07 H new ATOM 1733 N VAL A 125 11.048 -12.210 -3.329 1.00 0.59 N ATOM 1734 CA VAL A 125 9.977 -13.004 -3.910 1.00 0.63 C ATOM 1735 C VAL A 125 10.037 -12.941 -5.433 1.00 0.69 C ATOM 1736 O VAL A 125 9.911 -13.962 -6.109 1.00 0.75 O ATOM 1737 CB VAL A 125 8.590 -12.544 -3.413 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.484 -13.373 -4.053 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.520 -12.638 -1.896 1.00 0.59 C ATOM 0 H VAL A 125 10.810 -11.233 -3.161 1.00 0.59 H new ATOM 0 HA VAL A 125 10.120 -14.035 -3.587 1.00 0.63 H new ATOM 0 HB VAL A 125 8.445 -11.504 -3.706 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.515 -13.031 -3.688 1.00 0.66 H new ATOM 0 HG12 VAL A 125 7.524 -13.259 -5.136 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.620 -14.423 -3.793 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.537 -12.311 -1.556 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.686 -13.670 -1.587 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.287 -12.000 -1.456 1.00 0.59 H new ATOM 1749 N LYS A 126 10.246 -11.745 -5.974 1.00 0.68 N ATOM 1750 CA LYS A 126 10.401 -11.579 -7.413 1.00 0.76 C ATOM 1751 C LYS A 126 11.571 -10.652 -7.746 1.00 0.75 C ATOM 1752 O LYS A 126 11.409 -9.446 -7.920 1.00 0.73 O ATOM 1753 CB LYS A 126 9.092 -11.121 -8.083 1.00 0.80 C ATOM 1754 CG LYS A 126 8.139 -10.323 -7.196 1.00 0.73 C ATOM 1755 CD LYS A 126 8.403 -8.829 -7.259 1.00 0.71 C ATOM 1756 CE LYS A 126 7.106 -8.036 -7.140 1.00 0.73 C ATOM 1757 NZ LYS A 126 7.324 -6.567 -7.255 1.00 1.12 N ATOM 0 H LYS A 126 10.312 -10.879 -5.439 1.00 0.68 H new ATOM 0 HA LYS A 126 10.638 -12.558 -7.829 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.343 -10.514 -8.953 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.566 -12.002 -8.450 1.00 0.80 H new ATOM 0 HG2 LYS A 126 7.112 -10.521 -7.501 1.00 0.73 H new ATOM 0 HG3 LYS A 126 8.236 -10.663 -6.165 1.00 0.73 H new ATOM 0 HD2 LYS A 126 9.083 -8.543 -6.456 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.898 -8.583 -8.199 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.413 -8.359 -7.917 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.636 -8.256 -6.182 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 6.446 -6.109 -7.572 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.599 -6.183 -6.328 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 8.080 -6.381 -7.945 1.00 1.12 H new ATOM 1771 N PRO A 127 12.781 -11.234 -7.815 1.00 0.80 N ATOM 1772 CA PRO A 127 14.025 -10.496 -8.077 1.00 0.83 C ATOM 1773 C PRO A 127 14.201 -10.111 -9.543 1.00 0.92 C ATOM 1774 O PRO A 127 15.027 -9.261 -9.876 1.00 0.96 O ATOM 1775 CB PRO A 127 15.108 -11.490 -7.663 1.00 0.87 C ATOM 1776 CG PRO A 127 14.496 -12.828 -7.896 1.00 0.97 C ATOM 1777 CD PRO A 127 13.029 -12.672 -7.606 1.00 0.86 C ATOM 0 HA PRO A 127 14.048 -9.548 -7.539 1.00 0.83 H new ATOM 0 HB2 PRO A 127 16.014 -11.359 -8.255 1.00 0.87 H new ATOM 0 HB3 PRO A 127 15.389 -11.359 -6.618 1.00 0.87 H new ATOM 0 HG2 PRO A 127 14.657 -13.157 -8.923 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.944 -13.580 -7.246 1.00 0.97 H new ATOM 0 HD2 PRO A 127 12.422 -13.284 -8.273 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.788 -12.976 -6.587 1.00 0.86 H new ATOM 1785 N HIS A 128 13.432 -10.743 -10.419 1.00 0.99 N ATOM 1786 CA HIS A 128 13.486 -10.424 -11.840 1.00 1.12 C ATOM 1787 C HIS A 128 12.544 -9.278 -12.148 1.00 1.04 C ATOM 1788 O HIS A 128 12.527 -8.749 -13.259 1.00 1.11 O ATOM 1789 CB HIS A 128 13.116 -11.634 -12.700 1.00 1.33 C ATOM 1790 CG HIS A 128 14.202 -12.653 -12.821 1.00 2.00 C ATOM 1791 ND1 HIS A 128 15.069 -12.691 -13.888 1.00 2.75 N ATOM 1792 CD2 HIS A 128 14.556 -13.677 -12.013 1.00 2.49 C ATOM 1793 CE1 HIS A 128 15.909 -13.694 -13.736 1.00 3.56 C ATOM 1794 NE2 HIS A 128 15.621 -14.310 -12.605 1.00 3.37 N ATOM 0 H HIS A 128 12.767 -11.476 -10.173 1.00 0.99 H new ATOM 0 HA HIS A 128 14.510 -10.136 -12.078 1.00 1.12 H new ATOM 0 HB2 HIS A 128 12.232 -12.110 -12.277 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.845 -11.288 -13.697 1.00 1.33 H new ATOM 0 HD2 HIS A 128 14.089 -13.947 -11.077 1.00 2.49 H new ATOM 0 HE1 HIS A 128 16.699 -13.966 -14.420 1.00 3.56 H new ATOM 0 HE2 HIS A 128 16.110 -15.124 -12.232 1.00 3.37 H new ATOM 1803 N ASP A 129 11.767 -8.900 -11.150 1.00 0.92 N ATOM 1804 CA ASP A 129 10.773 -7.857 -11.305 1.00 0.89 C ATOM 1805 C ASP A 129 11.378 -6.479 -11.076 1.00 0.83 C ATOM 1806 O ASP A 129 11.912 -6.186 -10.004 1.00 0.80 O ATOM 1807 CB ASP A 129 9.614 -8.096 -10.351 1.00 0.89 C ATOM 1808 CG ASP A 129 8.569 -7.013 -10.444 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.821 -6.987 -11.441 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.503 -6.183 -9.523 1.00 1.11 O ATOM 0 H ASP A 129 11.807 -9.305 -10.215 1.00 0.92 H new ATOM 0 HA ASP A 129 10.402 -7.890 -12.329 1.00 0.89 H new ATOM 0 HB2 ASP A 129 9.156 -9.060 -10.572 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.991 -8.148 -9.330 1.00 0.89 H new ATOM 1815 N LYS A 130 11.281 -5.644 -12.100 1.00 0.85 N ATOM 1816 CA LYS A 130 11.821 -4.287 -12.076 1.00 0.89 C ATOM 1817 C LYS A 130 11.226 -3.465 -10.939 1.00 0.84 C ATOM 1818 O LYS A 130 11.912 -2.649 -10.334 1.00 0.84 O ATOM 1819 CB LYS A 130 11.537 -3.595 -13.410 1.00 1.04 C ATOM 1820 CG LYS A 130 10.058 -3.576 -13.777 1.00 1.18 C ATOM 1821 CD LYS A 130 9.820 -3.123 -15.209 1.00 1.44 C ATOM 1822 CE LYS A 130 10.318 -1.708 -15.452 1.00 2.28 C ATOM 1823 NZ LYS A 130 9.931 -1.218 -16.799 1.00 3.05 N ATOM 0 H LYS A 130 10.823 -5.888 -12.978 1.00 0.85 H new ATOM 0 HA LYS A 130 12.897 -4.358 -11.914 1.00 0.89 H new ATOM 0 HB2 LYS A 130 11.906 -2.570 -13.366 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.094 -4.101 -14.199 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.640 -4.573 -13.640 1.00 1.18 H new ATOM 0 HG3 LYS A 130 9.526 -2.912 -13.096 1.00 1.18 H new ATOM 0 HD2 LYS A 130 10.323 -3.806 -15.893 1.00 1.44 H new ATOM 0 HD3 LYS A 130 8.754 -3.175 -15.433 1.00 1.44 H new ATOM 0 HE2 LYS A 130 9.911 -1.042 -14.691 1.00 2.28 H new ATOM 0 HE3 LYS A 130 11.403 -1.681 -15.352 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 10.287 -0.250 -16.932 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 10.340 -1.840 -17.525 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 8.895 -1.221 -16.885 1.00 3.05 H new ATOM 1837 N ASP A 131 9.952 -3.694 -10.657 1.00 0.86 N ATOM 1838 CA ASP A 131 9.246 -2.954 -9.618 1.00 0.90 C ATOM 1839 C ASP A 131 9.841 -3.264 -8.252 1.00 0.77 C ATOM 1840 O ASP A 131 10.090 -2.363 -7.449 1.00 0.80 O ATOM 1841 CB ASP A 131 7.761 -3.313 -9.651 1.00 1.05 C ATOM 1842 CG ASP A 131 6.983 -2.709 -8.500 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.793 -1.475 -8.488 1.00 1.60 O ATOM 1844 OD2 ASP A 131 6.544 -3.477 -7.614 1.00 1.82 O ATOM 0 H ASP A 131 9.382 -4.391 -11.136 1.00 0.86 H new ATOM 0 HA ASP A 131 9.355 -1.885 -9.802 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.331 -2.972 -10.593 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.654 -4.397 -9.626 1.00 1.05 H new ATOM 1849 N ALA A 132 10.080 -4.549 -8.009 1.00 0.69 N ATOM 1850 CA ALA A 132 10.733 -4.995 -6.790 1.00 0.62 C ATOM 1851 C ALA A 132 12.151 -4.453 -6.719 1.00 0.59 C ATOM 1852 O ALA A 132 12.549 -3.860 -5.713 1.00 0.56 O ATOM 1853 CB ALA A 132 10.753 -6.513 -6.728 1.00 0.65 C ATOM 0 H ALA A 132 9.828 -5.303 -8.648 1.00 0.69 H new ATOM 0 HA ALA A 132 10.170 -4.615 -5.938 1.00 0.62 H new ATOM 0 HB1 ALA A 132 11.245 -6.833 -5.810 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.731 -6.891 -6.743 1.00 0.65 H new ATOM 0 HB3 ALA A 132 11.297 -6.905 -7.587 1.00 0.65 H new ATOM 1859 N LYS A 133 12.904 -4.658 -7.799 1.00 0.63 N ATOM 1860 CA LYS A 133 14.283 -4.196 -7.869 1.00 0.66 C ATOM 1861 C LYS A 133 14.366 -2.713 -7.577 1.00 0.65 C ATOM 1862 O LYS A 133 15.019 -2.305 -6.628 1.00 0.63 O ATOM 1863 CB LYS A 133 14.901 -4.449 -9.249 1.00 0.74 C ATOM 1864 CG LYS A 133 14.990 -5.910 -9.642 1.00 0.75 C ATOM 1865 CD LYS A 133 15.871 -6.107 -10.868 1.00 0.95 C ATOM 1866 CE LYS A 133 17.283 -5.589 -10.631 1.00 1.21 C ATOM 1867 NZ LYS A 133 18.168 -5.828 -11.800 1.00 1.93 N ATOM 0 H LYS A 133 12.579 -5.142 -8.636 1.00 0.63 H new ATOM 0 HA LYS A 133 14.839 -4.761 -7.120 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.313 -3.920 -9.999 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.903 -4.019 -9.268 1.00 0.74 H new ATOM 0 HG2 LYS A 133 15.390 -6.488 -8.809 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.991 -6.294 -9.846 1.00 0.75 H new ATOM 0 HD2 LYS A 133 15.909 -7.166 -11.123 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.431 -5.589 -11.720 1.00 0.95 H new ATOM 0 HE2 LYS A 133 17.246 -4.521 -10.417 1.00 1.21 H new ATOM 0 HE3 LYS A 133 17.705 -6.076 -9.752 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 19.119 -5.460 -11.596 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 18.225 -6.849 -11.989 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 17.780 -5.342 -12.634 1.00 1.93 H new ATOM 1881 N MET A 134 13.661 -1.932 -8.380 1.00 0.68 N ATOM 1882 CA MET A 134 13.800 -0.481 -8.403 1.00 0.72 C ATOM 1883 C MET A 134 13.838 0.134 -7.010 1.00 0.65 C ATOM 1884 O MET A 134 14.833 0.753 -6.623 1.00 0.68 O ATOM 1885 CB MET A 134 12.647 0.136 -9.202 1.00 0.78 C ATOM 1886 CG MET A 134 12.666 1.655 -9.238 1.00 0.84 C ATOM 1887 SD MET A 134 11.280 2.348 -10.167 1.00 0.97 S ATOM 1888 CE MET A 134 11.616 1.701 -11.803 1.00 1.61 C ATOM 0 H MET A 134 12.970 -2.288 -9.040 1.00 0.68 H new ATOM 0 HA MET A 134 14.756 -0.261 -8.878 1.00 0.72 H new ATOM 0 HB2 MET A 134 12.683 -0.242 -10.224 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.702 -0.196 -8.772 1.00 0.78 H new ATOM 0 HG2 MET A 134 12.643 2.039 -8.218 1.00 0.84 H new ATOM 0 HG3 MET A 134 13.602 1.992 -9.684 1.00 0.84 H new ATOM 0 HE1 MET A 134 11.073 2.287 -12.545 1.00 1.61 H new ATOM 0 HE2 MET A 134 12.685 1.760 -12.005 1.00 1.61 H new ATOM 0 HE3 MET A 134 11.294 0.661 -11.856 1.00 1.61 H new ATOM 1898 N LYS A 135 12.763 -0.044 -6.261 1.00 0.59 N ATOM 1899 CA LYS A 135 12.648 0.561 -4.945 1.00 0.54 C ATOM 1900 C LYS A 135 13.606 -0.083 -3.954 1.00 0.48 C ATOM 1901 O LYS A 135 14.079 0.569 -3.024 1.00 0.46 O ATOM 1902 CB LYS A 135 11.212 0.469 -4.446 1.00 0.54 C ATOM 1903 CG LYS A 135 10.382 1.710 -4.734 1.00 0.65 C ATOM 1904 CD LYS A 135 10.324 2.031 -6.219 1.00 0.76 C ATOM 1905 CE LYS A 135 9.342 3.155 -6.504 1.00 1.05 C ATOM 1906 NZ LYS A 135 7.969 2.806 -6.054 1.00 1.94 N ATOM 0 H LYS A 135 11.957 -0.603 -6.542 1.00 0.59 H new ATOM 0 HA LYS A 135 12.921 1.613 -5.031 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.731 -0.393 -4.908 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.221 0.291 -3.371 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.370 1.564 -4.356 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.803 2.560 -4.197 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.316 2.314 -6.571 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.031 1.140 -6.774 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.671 4.064 -6.000 1.00 1.05 H new ATOM 0 HE3 LYS A 135 9.332 3.369 -7.573 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.276 3.171 -6.738 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 7.878 1.772 -5.987 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 7.791 3.231 -5.121 1.00 1.94 H new ATOM 1920 N TYR A 136 13.900 -1.359 -4.160 1.00 0.48 N ATOM 1921 CA TYR A 136 14.873 -2.046 -3.332 1.00 0.46 C ATOM 1922 C TYR A 136 16.259 -1.435 -3.518 1.00 0.47 C ATOM 1923 O TYR A 136 16.943 -1.145 -2.544 1.00 0.48 O ATOM 1924 CB TYR A 136 14.895 -3.541 -3.655 1.00 0.48 C ATOM 1925 CG TYR A 136 16.049 -4.277 -3.018 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.064 -4.545 -1.657 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.127 -4.698 -3.783 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.124 -5.212 -1.075 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.190 -5.365 -3.213 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.185 -5.620 -1.857 1.00 0.54 C ATOM 1931 OH TYR A 136 19.238 -6.291 -1.282 1.00 0.59 O ATOM 0 H TYR A 136 13.480 -1.934 -4.890 1.00 0.48 H new ATOM 0 HA TYR A 136 14.582 -1.927 -2.288 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.959 -3.990 -3.322 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.944 -3.671 -4.736 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.234 -4.227 -1.043 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.133 -4.499 -4.845 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.122 -5.413 -0.014 1.00 0.51 H new ATOM 0 HE2 TYR A 136 19.021 -5.686 -3.824 1.00 0.57 H new ATOM 0 HH TYR A 136 19.902 -6.509 -1.969 1.00 0.59 H new ATOM 1941 N GLN A 137 16.656 -1.219 -4.772 1.00 0.49 N ATOM 1942 CA GLN A 137 17.963 -0.645 -5.081 1.00 0.51 C ATOM 1943 C GLN A 137 18.029 0.768 -4.538 1.00 0.53 C ATOM 1944 O GLN A 137 19.026 1.182 -3.955 1.00 0.57 O ATOM 1945 CB GLN A 137 18.205 -0.609 -6.596 1.00 0.55 C ATOM 1946 CG GLN A 137 17.723 -1.850 -7.325 1.00 0.61 C ATOM 1947 CD GLN A 137 18.416 -3.113 -6.898 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.679 -4.203 -6.936 1.00 2.09 O flip ATOM 1949 NE2 GLN A 137 19.591 -3.112 -6.531 1.00 1.24 N flip ATOM 0 H GLN A 137 16.088 -1.434 -5.592 1.00 0.49 H new ATOM 0 HA GLN A 137 18.730 -1.267 -4.620 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.703 0.264 -7.014 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.272 -0.482 -6.781 1.00 0.55 H new ATOM 0 HG2 GLN A 137 16.651 -1.962 -7.162 1.00 0.61 H new ATOM 0 HG3 GLN A 137 17.870 -1.711 -8.396 1.00 0.61 H new ATOM 0 HE21 GLN A 137 20.121 -2.241 -6.519 1.00 1.24 H new ATOM 0 HE22 GLN A 137 20.035 -3.983 -6.239 1.00 1.24 H new ATOM 1958 N GLU A 138 16.935 1.488 -4.736 1.00 0.53 N ATOM 1959 CA GLU A 138 16.799 2.857 -4.275 1.00 0.57 C ATOM 1960 C GLU A 138 17.001 2.954 -2.765 1.00 0.54 C ATOM 1961 O GLU A 138 17.768 3.788 -2.285 1.00 0.60 O ATOM 1962 CB GLU A 138 15.423 3.378 -4.683 1.00 0.60 C ATOM 1963 CG GLU A 138 15.036 4.700 -4.052 1.00 0.69 C ATOM 1964 CD GLU A 138 13.786 5.279 -4.677 1.00 1.33 C ATOM 1965 OE1 GLU A 138 12.673 4.976 -4.196 1.00 2.04 O ATOM 1966 OE2 GLU A 138 13.911 6.032 -5.667 1.00 1.46 O ATOM 0 H GLU A 138 16.112 1.134 -5.225 1.00 0.53 H new ATOM 0 HA GLU A 138 17.571 3.473 -4.737 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.397 3.487 -5.767 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.674 2.632 -4.419 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.876 4.559 -2.983 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.857 5.408 -4.160 1.00 0.69 H new ATOM 1973 N CYS A 139 16.333 2.090 -2.021 1.00 0.47 N ATOM 1974 CA CYS A 139 16.461 2.090 -0.575 1.00 0.44 C ATOM 1975 C CYS A 139 17.831 1.548 -0.172 1.00 0.43 C ATOM 1976 O CYS A 139 18.465 2.063 0.748 1.00 0.42 O ATOM 1977 CB CYS A 139 15.349 1.254 0.061 1.00 0.42 C ATOM 1978 SG CYS A 139 14.864 1.796 1.715 1.00 1.06 S ATOM 0 H CYS A 139 15.699 1.382 -2.392 1.00 0.47 H new ATOM 0 HA CYS A 139 16.368 3.115 -0.215 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.474 1.281 -0.588 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.676 0.215 0.113 1.00 0.42 H new ATOM 0 HG CYS A 139 15.742 1.386 2.581 1.00 1.06 H new ATOM 1984 N ASN A 140 18.288 0.522 -0.891 1.00 0.45 N ATOM 1985 CA ASN A 140 19.579 -0.111 -0.623 1.00 0.48 C ATOM 1986 C ASN A 140 20.707 0.910 -0.705 1.00 0.52 C ATOM 1987 O ASN A 140 21.478 1.081 0.243 1.00 0.54 O ATOM 1988 CB ASN A 140 19.829 -1.255 -1.621 1.00 0.52 C ATOM 1989 CG ASN A 140 21.153 -1.963 -1.397 1.00 0.60 C ATOM 1990 OD1 ASN A 140 22.173 -1.595 -1.981 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.147 -2.990 -0.556 1.00 1.13 N ATOM 0 H ASN A 140 17.777 0.109 -1.671 1.00 0.45 H new ATOM 0 HA ASN A 140 19.556 -0.521 0.387 1.00 0.48 H new ATOM 0 HB2 ASN A 140 19.019 -1.980 -1.544 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.804 -0.856 -2.635 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.008 -3.505 -0.374 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.281 -3.264 -0.092 1.00 1.13 H new ATOM 1998 N LYS A 141 20.779 1.604 -1.833 1.00 0.56 N ATOM 1999 CA LYS A 141 21.823 2.592 -2.053 1.00 0.63 C ATOM 2000 C LYS A 141 21.743 3.710 -1.020 1.00 0.60 C ATOM 2001 O LYS A 141 22.767 4.185 -0.543 1.00 0.65 O ATOM 2002 CB LYS A 141 21.729 3.186 -3.460 1.00 0.70 C ATOM 2003 CG LYS A 141 20.425 3.913 -3.723 1.00 0.69 C ATOM 2004 CD LYS A 141 20.529 4.824 -4.925 1.00 0.81 C ATOM 2005 CE LYS A 141 19.227 5.570 -5.166 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.264 6.354 -6.426 1.00 1.15 N ATOM 0 H LYS A 141 20.126 1.500 -2.609 1.00 0.56 H new ATOM 0 HA LYS A 141 22.781 2.083 -1.949 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.558 3.877 -3.610 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.844 2.387 -4.192 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.629 3.186 -3.884 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.150 4.498 -2.845 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.338 5.539 -4.773 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.783 4.237 -5.808 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.403 4.858 -5.205 1.00 0.85 H new ATOM 0 HE3 LYS A 141 19.031 6.239 -4.328 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.358 6.848 -6.554 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 20.035 7.051 -6.379 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.425 5.713 -7.229 1.00 1.15 H new ATOM 2020 N ILE A 142 20.525 4.121 -0.669 1.00 0.54 N ATOM 2021 CA ILE A 142 20.343 5.222 0.264 1.00 0.52 C ATOM 2022 C ILE A 142 20.771 4.835 1.678 1.00 0.49 C ATOM 2023 O ILE A 142 21.295 5.664 2.426 1.00 0.51 O ATOM 2024 CB ILE A 142 18.903 5.764 0.251 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.664 6.505 -1.066 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.675 6.690 1.435 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.316 7.187 -1.156 1.00 0.60 C ATOM 0 H ILE A 142 19.659 3.709 -1.016 1.00 0.54 H new ATOM 0 HA ILE A 142 20.993 6.029 -0.074 1.00 0.52 H new ATOM 0 HB ILE A 142 18.199 4.936 0.333 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.447 7.252 -1.197 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.757 5.798 -1.890 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.652 7.065 1.412 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.839 6.142 2.363 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.370 7.528 1.381 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.226 7.689 -2.119 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.525 6.444 -1.059 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.225 7.920 -0.355 1.00 0.60 H new ATOM 2039 N VAL A 143 20.579 3.577 2.034 1.00 0.46 N ATOM 2040 CA VAL A 143 21.113 3.073 3.288 1.00 0.47 C ATOM 2041 C VAL A 143 22.627 3.272 3.316 1.00 0.56 C ATOM 2042 O VAL A 143 23.200 3.658 4.338 1.00 0.59 O ATOM 2043 CB VAL A 143 20.778 1.581 3.492 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.535 1.018 4.681 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.282 1.391 3.679 1.00 0.41 C ATOM 0 H VAL A 143 20.064 2.892 1.481 1.00 0.46 H new ATOM 0 HA VAL A 143 20.649 3.632 4.101 1.00 0.47 H new ATOM 0 HB VAL A 143 21.088 1.038 2.599 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.284 -0.035 4.807 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.607 1.118 4.510 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.259 1.567 5.581 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.065 0.332 3.821 1.00 0.41 H new ATOM 0 HG22 VAL A 143 18.951 1.950 4.554 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.756 1.754 2.796 1.00 0.41 H new ATOM 2055 N LYS A 144 23.255 3.045 2.169 1.00 0.63 N ATOM 2056 CA LYS A 144 24.698 3.196 2.034 1.00 0.74 C ATOM 2057 C LYS A 144 25.094 4.660 1.998 1.00 0.76 C ATOM 2058 O LYS A 144 26.208 5.014 2.379 1.00 0.85 O ATOM 2059 CB LYS A 144 25.186 2.500 0.767 1.00 0.84 C ATOM 2060 CG LYS A 144 24.579 1.131 0.596 1.00 0.83 C ATOM 2061 CD LYS A 144 25.184 0.370 -0.569 1.00 1.10 C ATOM 2062 CE LYS A 144 24.857 -1.111 -0.485 1.00 1.57 C ATOM 2063 NZ LYS A 144 25.457 -1.879 -1.606 1.00 2.23 N ATOM 0 H LYS A 144 22.783 2.753 1.313 1.00 0.63 H new ATOM 0 HA LYS A 144 25.165 2.733 2.903 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.941 3.114 -0.099 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.272 2.412 0.799 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.719 0.558 1.512 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.504 1.230 0.443 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.807 0.776 -1.508 1.00 1.10 H new ATOM 0 HD3 LYS A 144 26.265 0.507 -0.574 1.00 1.10 H new ATOM 0 HE2 LYS A 144 25.220 -1.509 0.462 1.00 1.57 H new ATOM 0 HE3 LYS A 144 23.775 -1.244 -0.493 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 25.209 -2.884 -1.510 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 25.091 -1.517 -2.510 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 26.491 -1.774 -1.584 1.00 2.23 H new ATOM 2077 N GLN A 145 24.186 5.510 1.526 1.00 0.70 N ATOM 2078 CA GLN A 145 24.419 6.947 1.551 1.00 0.74 C ATOM 2079 C GLN A 145 24.631 7.390 2.983 1.00 0.75 C ATOM 2080 O GLN A 145 25.393 8.311 3.272 1.00 0.84 O ATOM 2081 CB GLN A 145 23.232 7.708 0.979 1.00 0.71 C ATOM 2082 CG GLN A 145 22.758 7.155 -0.337 1.00 0.72 C ATOM 2083 CD GLN A 145 23.679 7.482 -1.488 1.00 0.94 C ATOM 2084 OE1 GLN A 145 24.374 8.499 -1.480 1.00 1.36 O ATOM 2085 NE2 GLN A 145 23.680 6.629 -2.493 1.00 1.27 N ATOM 0 H GLN A 145 23.291 5.230 1.125 1.00 0.70 H new ATOM 0 HA GLN A 145 25.298 7.160 0.943 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.411 7.681 1.695 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.507 8.755 0.849 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.661 6.072 -0.255 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.765 7.549 -0.552 1.00 0.72 H new ATOM 0 HE21 GLN A 145 23.088 5.799 -2.458 1.00 1.27 H new ATOM 0 HE22 GLN A 145 24.272 6.799 -3.306 1.00 1.27 H new ATOM 2094 N LYS A 146 23.924 6.710 3.865 1.00 0.67 N ATOM 2095 CA LYS A 146 23.983 6.984 5.280 1.00 0.70 C ATOM 2096 C LYS A 146 25.194 6.311 5.923 1.00 0.84 C ATOM 2097 O LYS A 146 26.143 6.982 6.342 1.00 0.94 O ATOM 2098 CB LYS A 146 22.698 6.501 5.949 1.00 0.58 C ATOM 2099 CG LYS A 146 21.463 7.278 5.526 1.00 0.58 C ATOM 2100 CD LYS A 146 20.214 6.770 6.225 1.00 0.64 C ATOM 2101 CE LYS A 146 20.260 7.024 7.724 1.00 1.40 C ATOM 2102 NZ LYS A 146 20.227 8.475 8.051 1.00 1.73 N ATOM 0 H LYS A 146 23.291 5.950 3.615 1.00 0.67 H new ATOM 0 HA LYS A 146 24.085 8.060 5.419 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.551 5.446 5.716 1.00 0.58 H new ATOM 0 HB3 LYS A 146 22.811 6.576 7.031 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.603 8.335 5.753 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.334 7.198 4.447 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.337 7.258 5.801 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.104 5.701 6.041 1.00 0.64 H new ATOM 0 HE2 LYS A 146 19.415 6.527 8.201 1.00 1.40 H new ATOM 0 HE3 LYS A 146 21.166 6.581 8.138 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 20.073 8.597 9.072 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 21.132 8.912 7.783 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 19.453 8.931 7.527 1.00 1.73 H new